Peak 6002 from nnoeabs.peaks (8.38, 8.38, 117.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 3 + H HIS 3 OK 100 100 - 100 Peak 6003 from nnoeabs.peaks (3.89, 8.38, 117.61 ppm; 4.43 A): 2 out of 5 assignments used, quality = 1.00: * HA2 GLY 2 + H HIS 3 OK 100 100 100 100 2.1-2.8 3.6=100 HA3 GLY 2 + H HIS 3 OK 100 100 100 100 2.4-3.5 3.6=100 HB3 SER 50 - H HIS 3 far 5 100 5 - 5.0-71.1 HA ALA 46 - H HIS 3 far 0 100 0 - 10.0-65.9 HB2 SER 33 - H HIS 3 far 0 87 0 - 10.0-54.4 Violated in 0 structures by 0.00 A. Peak 6004 from nnoeabs.peaks (3.89, 8.38, 117.61 ppm; 4.43 A): 2 out of 5 assignments used, quality = 1.00: HA2 GLY 2 + H HIS 3 OK 100 100 100 100 2.1-2.8 3.6=100 * HA3 GLY 2 + H HIS 3 OK 100 100 100 100 2.4-3.5 3.6=100 HB3 SER 50 - H HIS 3 far 5 100 5 - 5.0-71.1 HA ALA 46 - H HIS 3 far 0 100 0 - 10.0-65.9 HB2 SER 33 - H HIS 3 far 0 87 0 - 10.0-54.4 Violated in 0 structures by 0.00 A. Peak 6005 from nnoeabs.peaks (4.61, 8.38, 117.61 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 3 + H HIS 3 OK 100 100 100 100 2.3-2.9 2.9=100 HA HIS 6 - H HIS 3 far 0 60 0 - 6.3-12.2 HA GLN 82 - H HIS 3 far 0 95 0 - 6.9-76.5 Violated in 0 structures by 0.00 A. Peak 6006 from nnoeabs.peaks (3.02, 8.38, 117.61 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 3 + H HIS 3 OK 100 100 100 100 2.3-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 6007 from nnoeabs.peaks (3.15, 8.38, 117.61 ppm; 5.52 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 3 + H HIS 3 OK 100 100 100 100 2.8-3.9 4.0=100 HB3 HIS 6 - H HIS 3 far 5 97 5 - 5.7-14.0 HB2 HIS 6 - H HIS 3 far 0 100 0 - 7.4-13.8 HB3 HIS 7 - H HIS 3 far 0 100 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 6009 from nnoeabs.peaks (8.52, 8.52, 118.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 4 + H HIS 4 OK 100 100 - 100 Peak 6010 from nnoeabs.peaks (8.38, 8.52, 118.99 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 3 + H HIS 4 OK 100 100 100 100 2.1-4.4 4.7=100 Violated in 0 structures by 0.00 A. Peak 6011 from nnoeabs.peaks (4.61, 8.52, 118.99 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 3 + H HIS 4 OK 100 100 100 100 2.2-3.6 3.6=100 HA GLN 82 - H HIS 4 far 0 95 0 - 7.1-73.7 HA HIS 6 - H HIS 4 far 0 60 0 - 7.1-9.3 Violated in 0 structures by 0.00 A. Peak 6014 from nnoeabs.peaks (4.64, 8.52, 118.99 ppm; 5.54 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 4 + H HIS 4 OK 100 100 100 100 2.3-2.9 2.9=100 HA HIS 6 - H HIS 4 far 0 100 0 - 7.1-9.3 Violated in 0 structures by 0.00 A. Peak 6017 from nnoeabs.peaks (8.53, 8.52, 118.99 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: H HIS 4 + H HIS 4 OK 99 99 - 100 Reference assignment not found: H HIS 5 - H HIS 4 Peak 6018 from nnoeabs.peaks (8.53, 8.53, 121.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H HIS 5 + H HIS 5 OK 100 100 - 100 H ALA 46 + H ALA 46 OK 91 91 - 100 Peak 6019 from nnoeabs.peaks (8.52, 8.53, 121.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: H HIS 5 + H HIS 5 OK 99 99 - 100 H ALA 46 + H ALA 46 OK 84 84 - 100 Reference assignment not found: H HIS 4 - H HIS 5 Peak 6023 from nnoeabs.peaks (4.41, 8.53, 121.63 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 5 + H HIS 5 OK 100 100 100 100 2.3-2.9 2.9=100 HA CYS 73 - H ALA 46 far 9 58 15 - 7.6-10.3 HA SER 9 - H HIS 5 far 0 89 0 - 8.9-16.0 Violated in 0 structures by 0.00 A. Peak 6026 from nnoeabs.peaks (8.69, 8.69, 121.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 7 + H HIS 7 OK 100 100 - 100 Peak 6027 from nnoeabs.peaks (4.64, 8.69, 121.41 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HA HIS 6 + H HIS 7 OK 100 100 100 100 2.1-3.3 3.6=100 HA HIS 7 + H HIS 7 OK 99 99 100 100 2.8-2.9 2.9=100 HA HIS 4 - H HIS 7 far 0 100 0 - 6.3-10.0 HA HIS 3 - H HIS 7 far 0 60 0 - 8.8-13.7 Violated in 0 structures by 0.00 A. Peak 6028 from nnoeabs.peaks (3.16, 8.69, 121.41 ppm; 5.28 A): 3 out of 8 assignments used, quality = 1.00: * HB2 HIS 6 + H HIS 7 OK 100 100 100 100 2.0-4.4 4.4=100 HB3 HIS 7 + H HIS 7 OK 100 100 100 100 2.3-4.1 3.9=100 HB3 HIS 6 + H HIS 7 OK 98 98 100 100 2.1-4.3 4.4=100 HB2 HIS 8 - H HIS 7 poor 12 81 70 21 4.1-7.4 ~11936=12, 55/2.9=7, 76=3 HD2 ARG 23 - H HIS 7 far 0 96 0 - 8.5-33.2 HB3 HIS 3 - H HIS 7 far 0 100 0 - 8.8-14.6 HD3 ARG 23 - H HIS 7 far 0 96 0 - 9.1-34.2 HB2 HIS 10 - H HIS 7 far 0 87 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 6029 from nnoeabs.peaks (3.17, 8.69, 121.41 ppm; 5.20 A): 3 out of 7 assignments used, quality = 1.00: * HB3 HIS 6 + H HIS 7 OK 100 100 100 100 2.1-4.3 4.4=100 HB2 HIS 6 + H HIS 7 OK 98 98 100 100 2.0-4.4 4.4=100 HB3 HIS 7 + H HIS 7 OK 97 97 100 100 2.3-4.1 3.9=100 HD2 ARG 23 - H HIS 7 far 0 100 0 - 8.5-33.2 HB3 HIS 3 - H HIS 7 far 0 97 0 - 8.8-14.6 HD3 ARG 23 - H HIS 7 far 0 100 0 - 9.1-34.2 HB2 HIS 10 - H HIS 7 far 0 98 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 6030 from nnoeabs.peaks (4.65, 8.69, 121.41 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HA HIS 7 + H HIS 7 OK 100 100 100 100 2.8-2.9 2.9=100 HA HIS 6 + H HIS 7 OK 97 99 100 99 2.1-3.3 3.6=97, 58/4.4=21...(15) HA HIS 4 - H HIS 7 far 0 99 0 - 6.3-10.0 Violated in 0 structures by 0.00 A. Peak 6031 from nnoeabs.peaks (3.11, 8.69, 121.41 ppm; 6.06 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 7 + H HIS 7 OK 100 100 100 100 2.3-4.0 3.9=100 HB2 HIS 8 + H HIS 7 OK 23 78 100 29 4.1-7.4 ~11936=16, 77/2.9=13 HB2 HIS 4 - H HIS 7 far 10 99 10 - 6.3-10.4 Violated in 0 structures by 0.00 A. Peak 6032 from nnoeabs.peaks (3.15, 8.69, 121.41 ppm; 5.28 A): 3 out of 8 assignments used, quality = 1.00: * HB3 HIS 7 + H HIS 7 OK 100 100 100 100 2.3-4.1 3.9=100 HB2 HIS 6 + H HIS 7 OK 100 100 100 100 2.0-4.4 4.4=100 HB3 HIS 6 + H HIS 7 OK 97 97 100 100 2.1-4.3 4.4=100 HB2 HIS 8 - H HIS 7 poor 14 85 75 22 4.1-7.4 ~11936=12, 55/2.9=7, 76=3 HD2 ARG 23 - H HIS 7 far 0 93 0 - 8.5-33.2 HB3 HIS 3 - H HIS 7 far 0 100 0 - 8.8-14.6 HD3 ARG 23 - H HIS 7 far 0 93 0 - 9.1-34.2 HB2 HIS 10 - H HIS 7 far 0 83 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 6034 from nnoeabs.peaks (8.66, 8.66, 120.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H HIS 8 + H HIS 8 OK 100 100 - 100 H HIS 67 + H HIS 67 OK 75 75 - 100 Peak 6036 from nnoeabs.peaks (4.65, 8.66, 120.36 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.85: * HA HIS 7 + H HIS 8 OK 85 100 100 85 2.1-2.7 3.6=80, 69/4.6=10...(7) HA HIS 6 - H HIS 8 far 0 99 0 - 5.2-6.6 HA HIS 4 - H HIS 8 far 0 99 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 6037 from nnoeabs.peaks (3.11, 8.66, 120.36 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: * HB2 HIS 7 + H HIS 8 OK 100 100 100 100 1.9-4.1 4.6=100 HB2 HIS 8 + H HIS 8 OK 78 78 100 100 2.1-4.1 4.0=100 HB3 CYS 45 - H HIS 67 far 0 57 0 - 7.3-10.1 HB2 HIS 4 - H HIS 8 far 0 99 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 6038 from nnoeabs.peaks (3.15, 8.66, 120.36 ppm; 5.08 A): 2 out of 9 assignments used, quality = 1.00: * HB3 HIS 7 + H HIS 8 OK 100 100 100 100 2.0-4.5 4.6=100 HB2 HIS 8 + H HIS 8 OK 85 85 100 100 2.1-4.1 4.0=100 HB2 HIS 6 - H HIS 8 poor 18 100 70 26 5.1-8.2 58/6036=8, 116/4.7=7...(5) HB3 HIS 6 - H HIS 8 far 14 97 15 - 5.4-7.7 HB2 HIS 10 - H HIS 8 far 8 83 10 - 6.0-10.6 HD2 ARG 23 - H HIS 8 far 5 93 5 - 5.5-28.8 HD3 ARG 23 - H HIS 8 far 5 93 5 - 5.5-29.8 HB3 CYS 45 - H HIS 67 far 0 52 0 - 7.3-10.1 HB3 HIS 3 - H HIS 8 far 0 100 0 - 8.9-17.6 Violated in 0 structures by 0.00 A. Peak 6039 from nnoeabs.peaks (4.70, 8.66, 120.36 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 8 + H HIS 8 OK 100 100 100 100 2.8-2.9 2.9=100 HA HIS 10 - H HIS 8 far 0 99 0 - 6.5-9.1 Violated in 0 structures by 0.00 A. Peak 6040 from nnoeabs.peaks (3.13, 8.66, 120.36 ppm; 6.43 A): 4 out of 7 assignments used, quality = 1.00: * HB2 HIS 8 + H HIS 8 OK 100 100 100 100 2.1-4.1 4.0=100 HB3 HIS 7 + H HIS 8 OK 85 85 100 100 2.0-4.5 4.6=100 HB2 HIS 7 + H HIS 8 OK 78 78 100 100 1.9-4.1 4.6=100 HB2 HIS 6 + H HIS 8 OK 22 81 90 30 5.1-8.2 1.8/80=10, 77/6036=10...(4) HB3 CYS 45 - H HIS 67 poor 15 75 20 - 7.3-10.1 HB3 HIS 3 - H HIS 8 far 0 85 0 - 8.9-17.6 HB2 HIS 4 - H HIS 8 far 0 63 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 6043 from nnoeabs.peaks (8.49, 8.49, 118.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 9 + H SER 9 OK 100 100 - 100 H VAL 132 + H VAL 132 OK 60 60 - 100 Peak 6045 from nnoeabs.peaks (4.70, 8.49, 118.11 ppm; 2.76 A): 1 out of 2 assignments used, quality = 0.77: * HA HIS 8 + H SER 9 OK 77 100 100 77 2.1-2.7 85=58, 2.9/6046=25...(5) HA HIS 10 - H SER 9 far 0 99 0 - 4.6-5.5 Violated in 0 structures by 0.00 A. Peak 6046 from nnoeabs.peaks (3.13, 8.49, 118.11 ppm; 4.21 A): 1 out of 6 assignments used, quality = 0.99: * HB2 HIS 8 + H SER 9 OK 99 100 100 99 1.9-4.2 2.9/6045=87, 4.6=74...(4) HB3 HIS 7 - H SER 9 far 4 85 5 - 5.6-8.0 HB2 HIS 7 - H SER 9 far 0 78 0 - 5.7-7.2 HB2 HIS 6 - H SER 9 far 0 81 0 - 6.5-11.0 HB2 HIS 4 - H VAL 132 far 0 39 0 - 8.4-70.1 HB3 TYR 76 - H VAL 132 far 0 72 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 6047 from nnoeabs.peaks (3.21, 8.49, 118.11 ppm; 4.04 A): 2 out of 8 assignments used, quality = 0.99: * HB3 HIS 8 + H SER 9 OK 98 100 100 98 2.0-3.7 2.9/6045=83, 1.8/6046=71, 4.6=66 HD3 ARG 135 + H VAL 132 OK 21 46 45 99 4.6-7.0 ~10529=38, ~10529=38...(19) HD3 ARG 84 - H VAL 132 far 0 65 0 - 6.8-12.4 HD2 ARG 84 - H VAL 132 far 0 65 0 - 7.9-12.5 HB3 HIS 4 - H VAL 132 far 0 50 0 - 8.1-70.6 HB3 CYS 125 - H VAL 132 far 0 72 0 - 9.3-11.3 HB2 HIS 5 - H SER 9 far 0 78 0 - 9.5-15.0 HB2 PHE 87 - H VAL 132 far 0 54 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 6048 from nnoeabs.peaks (4.39, 8.49, 118.11 ppm; 3.44 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 9 + H SER 9 OK 100 100 100 100 2.8-2.9 3.0=100 HA MET 11 - H SER 9 far 0 60 0 - 6.6-8.9 HA ASP 78 - H SER 9 far 0 97 0 - 8.3-50.1 HA CYS 73 - H VAL 132 far 0 69 0 - 8.3-10.0 HA HIS 5 - H SER 9 far 0 89 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 6049 from nnoeabs.peaks (3.80, 8.49, 118.11 ppm; 3.54 A): 3 out of 7 assignments used, quality = 0.98: HB3 SER 9 + H SER 9 OK 80 100 100 80 2.7-3.9 4.0=70, 4.5/6051=28 * HB2 SER 9 + H SER 9 OK 80 100 100 80 2.2-4.1 4.0=70, 4.5/6051=28 HA SER 130 + H VAL 132 OK 44 50 100 87 4.0-4.3 2.9/7910=19, ~7891=19...(21) HB3 SER 130 - H VAL 132 far 3 35 10 - 5.0-5.7 HB2 SER 130 - H VAL 132 far 0 57 0 - 5.1-5.8 HA LEU 43 - H VAL 132 far 0 48 0 - 6.7-8.2 HA ARG 90 - H VAL 132 far 0 68 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 6050 from nnoeabs.peaks (3.80, 8.49, 118.11 ppm; 3.54 A): 3 out of 6 assignments used, quality = 0.98: * HB3 SER 9 + H SER 9 OK 80 100 100 80 2.7-3.9 4.0=70, 4.5/6051=28 HB2 SER 9 + H SER 9 OK 80 100 100 80 2.2-4.1 4.0=70, 4.5/6051=28 HA SER 130 + H VAL 132 OK 42 48 100 87 4.0-4.3 2.9/7910=19, ~7891=19...(21) HB2 SER 130 - H VAL 132 far 0 59 0 - 5.1-5.8 HA LEU 43 - H VAL 132 far 0 46 0 - 6.7-8.2 HA ARG 90 - H VAL 132 far 0 67 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 6051 from nnoeabs.peaks (8.71, 8.49, 118.11 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 10 + H SER 9 OK 100 100 100 100 2.5-4.6 4.7=93, 6054/3.0=92...(6) H HIS 7 - H SER 9 far 9 89 10 - 5.7-8.1 H PHE 89 - H VAL 132 far 0 44 0 - 6.4-7.8 Violated in 2 structures by 0.00 A. Peak 6052 from nnoeabs.peaks (8.71, 8.71, 120.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 10 + H HIS 10 OK 100 100 - 100 Peak 6053 from nnoeabs.peaks (8.49, 8.71, 120.74 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H SER 9 + H HIS 10 OK 100 100 100 100 2.5-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 6054 from nnoeabs.peaks (4.39, 8.71, 120.74 ppm; 2.80 A): 1 out of 4 assignments used, quality = 0.82: * HA SER 9 + H HIS 10 OK 82 100 100 82 2.1-2.9 100=68, 3.0/6051=22...(6) HA MET 11 - H HIS 10 far 3 60 5 - 4.2-5.3 HA ASP 78 - H HIS 10 far 0 97 0 - 5.2-48.0 HA CYS 73 - H HIS 10 far 0 98 0 - 9.8-44.1 Violated in 1 structures by 0.00 A. Peak 6055 from nnoeabs.peaks (3.80, 8.71, 120.74 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 9 + H HIS 10 OK 100 100 100 100 2.3-4.5 4.5=88, 3.0/6054=87...(7) HB3 SER 9 + H HIS 10 OK 100 100 100 100 1.9-4.6 4.5=88, 3.0/6054=87...(7) HD3 PRO 58 - H HIS 10 far 0 90 0 - 9.6-49.4 Violated in 0 structures by 0.00 A. Peak 6056 from nnoeabs.peaks (3.80, 8.71, 120.74 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: HB2 SER 9 + H HIS 10 OK 100 100 100 100 2.3-4.5 4.5=88, 3.0/6054=87...(7) * HB3 SER 9 + H HIS 10 OK 100 100 100 100 1.9-4.6 4.5=88, 3.0/6054=87...(7) HD3 PRO 58 - H HIS 10 far 0 92 0 - 9.6-49.4 Violated in 0 structures by 0.00 A. Peak 6057 from nnoeabs.peaks (4.69, 8.71, 120.74 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + H HIS 10 OK 100 100 100 100 2.8-2.9 3.0=100 HA HIS 8 - H HIS 10 far 5 99 5 - 4.5-6.6 Violated in 0 structures by 0.00 A. Peak 6058 from nnoeabs.peaks (3.17, 8.71, 120.74 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.89: * HB2 HIS 10 + H HIS 10 OK 89 100 100 89 2.6-3.5 4.0=60, 1.8/6059=59 HB3 HIS 7 - H HIS 10 far 0 83 0 - 6.1-11.2 HD3 ARG 23 - H HIS 10 far 0 99 0 - 6.4-24.0 HD2 ARG 23 - H HIS 10 far 0 99 0 - 7.2-22.9 HB3 HIS 6 - H HIS 10 far 0 98 0 - 8.7-14.3 HB2 HIS 6 - H HIS 10 far 0 87 0 - 8.9-14.8 Violated in 11 structures by 0.05 A. Peak 6059 from nnoeabs.peaks (3.25, 8.71, 120.74 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.99: * HB3 HIS 10 + H HIS 10 OK 99 100 100 99 3.2-3.9 4.0=87, 1.8/6058=86 Violated in 11 structures by 0.03 A. Peak 6060 from nnoeabs.peaks (8.41, 8.71, 120.74 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * H MET 11 + H HIS 10 OK 100 100 100 100 1.9-4.3 6062=91, 6063/3.0=84...(6) H ASN 13 - H HIS 10 far 0 73 0 - 7.5-10.7 H GLN 27 - H HIS 10 far 0 71 0 - 8.7-31.9 H SER 74 - H HIS 10 far 0 99 0 - 9.6-43.8 Violated in 17 structures by 0.12 A. Peak 6061 from nnoeabs.peaks (8.41, 8.41, 122.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + H MET 11 OK 100 100 - 100 Peak 6062 from nnoeabs.peaks (8.71, 8.41, 122.27 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 10 + H MET 11 OK 100 100 100 100 1.9-4.3 6060=100, 3.0/6063=87...(6) H HIS 7 - H MET 11 far 0 89 0 - 8.6-14.7 Violated in 8 structures by 0.02 A. Peak 6063 from nnoeabs.peaks (4.69, 8.41, 122.27 ppm; 2.63 A): 1 out of 2 assignments used, quality = 0.80: * HA HIS 10 + H MET 11 OK 80 100 100 80 2.1-3.4 115=51, 3.0/6065=26...(6) HA HIS 8 - H MET 11 far 0 99 0 - 7.4-9.8 Violated in 3 structures by 0.07 A. Peak 6064 from nnoeabs.peaks (3.17, 8.41, 122.27 ppm; 3.96 A): 1 out of 6 assignments used, quality = 0.99: * HB2 HIS 10 + H MET 11 OK 99 100 100 99 3.5-4.2 3.0/6063=82, 1.8/6065=80...(4) HD3 ARG 23 - H MET 11 far 0 99 0 - 8.1-21.4 HB2 HIS 6 - H MET 11 far 0 87 0 - 8.4-17.4 HB3 HIS 6 - H MET 11 far 0 98 0 - 9.3-17.1 HD2 ARG 23 - H MET 11 far 0 99 0 - 9.4-21.3 HB3 HIS 7 - H MET 11 far 0 83 0 - 9.6-15.0 Violated in 19 structures by 0.15 A. Peak 6065 from nnoeabs.peaks (3.25, 8.41, 122.27 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.98: * HB3 HIS 10 + H MET 11 OK 98 100 100 98 1.9-4.0 3.0/6063=77, 1.8/6064=69...(4) Violated in 8 structures by 0.03 A. Peak 6066 from nnoeabs.peaks (4.42, 8.41, 122.27 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + H MET 11 OK 100 100 100 100 2.3-2.9 2.9=100 HA SER 9 - H MET 11 far 6 60 10 - 4.3-6.5 Violated in 0 structures by 0.00 A. Peak 6067 from nnoeabs.peaks (1.92, 8.41, 122.27 ppm; 2.94 A): 1 out of 2 assignments used, quality = 0.89: * HB2 MET 11 + H MET 11 OK 89 100 100 89 2.1-3.0 4.0=38, 2.9/6069=34...(8) HB3 LEU 48 - H MET 11 far 0 60 0 - 8.8-41.0 Violated in 3 structures by 0.01 A. Peak 6068 from nnoeabs.peaks (2.02, 8.41, 122.27 ppm; 3.39 A): 2 out of 5 assignments used, quality = 1.00: * HB3 MET 11 + H MET 11 OK 99 100 100 99 3.4-4.0 1.8/6067=83, 4.0=59...(7) QE MET 11 + H MET 11 OK 68 87 85 92 2.1-5.4 3.3/6069=42, 4.2/6067=40...(8) HB VAL 20 - H MET 11 far 0 81 0 - 7.2-20.8 HG2 PRO 58 - H MET 11 far 0 100 0 - 7.8-47.8 HB3 GLU 30 - H MET 11 far 0 100 0 - 9.8-35.9 Violated in 9 structures by 0.04 A. Peak 6069 from nnoeabs.peaks (2.47, 8.41, 122.27 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.99: * HG2 MET 11 + H MET 11 OK 99 100 100 99 1.9-3.8 2.9/6067=74, 1.8/6070=65...(10) Violated in 0 structures by 0.00 A. Peak 6070 from nnoeabs.peaks (2.52, 8.41, 122.27 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + H MET 11 OK 100 100 100 100 2.2-4.0 1.8/6069=85, 2.9/6067=83...(12) HB2 ASP 78 - H MET 11 far 5 97 5 - 5.3-43.5 Violated in 0 structures by 0.00 A. Peak 6072 from nnoeabs.peaks (8.44, 8.44, 125.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 12 + H ALA 12 OK 100 100 - 100 H ALA 34 + H ALA 34 OK 74 74 - 100 Peak 6074 from nnoeabs.peaks (4.42, 8.44, 125.95 ppm; 2.50 A): 2 out of 6 assignments used, quality = 0.92: * HA MET 11 + H ALA 12 OK 87 100 100 87 2.2-2.7 132=72, 3.0/6075=21...(7) HA SER 33 + H ALA 34 OK 42 50 100 85 2.2-3.5 939=42, 3.0/6369=28...(11) HA ASP 71 - H ALA 34 far 0 81 0 - 4.6-14.8 HA SER 9 - H ALA 12 far 0 60 0 - 7.8-9.7 HA HIS 5 - H ALA 34 far 0 75 0 - 8.8-50.6 HA SER 33 - H ALA 12 far 0 68 0 - 9.9-32.5 Violated in 2 structures by 0.01 A. Peak 6075 from nnoeabs.peaks (1.92, 8.44, 125.95 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + H ALA 12 OK 100 100 100 100 3.4-4.0 3.0/132=80, 139=80...(9) HB2 PRO 58 - H ALA 12 far 0 68 0 - 6.9-45.4 HB3 LEU 48 - H ALA 12 far 0 60 0 - 9.6-38.9 HB2 MET 11 - H ALA 34 far 0 83 0 - 9.9-34.8 Violated in 1 structures by 0.00 A. Peak 6076 from nnoeabs.peaks (2.02, 8.44, 125.95 ppm; 3.55 A): 2 out of 11 assignments used, quality = 0.99: * HB3 MET 11 + H ALA 12 OK 98 100 100 98 2.0-3.2 3.0/132=68, 1.8/6075=61...(9) QE MET 11 + H ALA 12 OK 53 87 75 81 2.9-5.4 4.2/6075=34, 5.1/132=31...(7) HG2 PRO 58 - H ALA 12 far 5 100 5 - 4.9-44.4 HB VAL 20 - H ALA 12 far 4 81 5 - 3.0-18.9 HB3 GLU 30 - H ALA 12 far 0 100 0 - 6.0-32.1 HB3 GLU 30 - H ALA 34 far 0 83 0 - 7.1-13.3 HB VAL 20 - H ALA 34 far 0 60 0 - 9.3-28.1 HB3 MET 11 - H ALA 34 far 0 83 0 - 9.4-33.6 HB2 GLU 44 - H ALA 34 far 0 83 0 - 9.5-15.1 QE MET 11 - H ALA 34 far 0 66 0 - 9.8-28.9 HB3 GLU 40 - H ALA 34 far 0 74 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 6078 from nnoeabs.peaks (2.52, 8.44, 125.95 ppm; 6.25 A): 1 out of 5 assignments used, quality = 1.00: * HG3 MET 11 + H ALA 12 OK 100 100 100 100 2.8-5.2 4.0/132=99, 2.9/6075=99...(8) HB2 ASP 78 - H ALA 34 far 8 77 10 - 5.4-20.6 HB2 ASP 78 - H ALA 12 far 5 97 5 - 7.3-45.9 HG3 GLU 44 - H ALA 12 far 0 95 0 - 9.6-43.0 HG3 GLU 44 - H ALA 34 far 0 74 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 6079 from nnoeabs.peaks (4.28, 8.44, 125.95 ppm; 3.16 A): 1 out of 24 assignments used, quality = 1.00: * HA ALA 12 + H ALA 12 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 16 - H ALA 12 far 5 98 5 - 1.9-14.4 HA TYR 76 - H ALA 34 far 5 48 10 - 3.5-16.6 HA LYS 19 - H ALA 12 far 0 87 0 - 5.0-19.6 HA THR 25 - H ALA 12 far 0 99 0 - 5.0-24.0 HA LEU 22 - H ALA 12 far 0 89 0 - 5.5-20.2 HA THR 18 - H ALA 12 far 0 99 0 - 5.6-16.2 HA ALA 15 - H ALA 12 far 0 100 0 - 5.8-11.9 HA LYS 36 - H ALA 34 far 0 78 0 - 6.0-7.6 HA ALA 21 - H ALA 12 far 0 100 0 - 6.2-21.2 HA TYR 76 - H ALA 12 far 0 65 0 - 6.5-41.6 HA LYS 26 - H ALA 34 far 0 70 0 - 6.6-20.6 HA LYS 31 - H ALA 12 far 0 99 0 - 6.6-29.9 HA SER 74 - H ALA 34 far 0 81 0 - 6.7-17.9 HA LYS 31 - H ALA 34 far 0 80 0 - 6.8-9.5 HA LEU 22 - H ALA 34 far 0 68 0 - 6.8-26.9 HA THR 25 - H ALA 34 far 0 81 0 - 7.3-20.1 HA ALA 16 - H ALA 34 far 0 79 0 - 7.3-30.4 HA GLN 61 - H ALA 12 far 0 100 0 - 7.6-39.6 HA LYS 26 - H ALA 12 far 0 90 0 - 7.7-24.9 HA ARG 23 - H ALA 34 far 0 83 0 - 8.5-25.5 HA ALA 15 - H ALA 34 far 0 83 0 - 8.9-31.4 HA ARG 23 - H ALA 12 far 0 100 0 - 9.1-18.9 HA ALA 21 - H ALA 34 far 0 82 0 - 9.7-26.9 Violated in 0 structures by 0.00 A. Peak 6080 from nnoeabs.peaks (1.36, 8.44, 125.95 ppm; 2.84 A): 1 out of 17 assignments used, quality = 0.96: * QB ALA 12 + H ALA 12 OK 96 100 100 96 2.0-2.9 2.9=91, 6085/4.3=23...(6) HG2 LYS 19 - H ALA 12 far 5 100 5 - 4.3-19.3 HG2 LYS 36 - H ALA 34 far 3 60 5 - 3.8-7.4 HG3 LYS 26 - H ALA 34 far 3 58 5 - 4.2-20.3 QB ALA 28 - H ALA 12 far 0 73 0 - 4.5-24.1 QB ALA 15 - H ALA 12 far 0 76 0 - 4.5-10.6 HG2 LYS 24 - H ALA 34 far 0 62 0 - 5.3-25.0 QB ALA 21 - H ALA 12 far 0 87 0 - 5.6-19.3 QB ALA 29 - H ALA 34 far 0 60 0 - 5.7-10.7 HG2 LYS 24 - H ALA 12 far 0 83 0 - 6.8-22.1 HB2 LEU 42 - H ALA 34 far 0 64 0 - 7.4-13.1 QB ALA 15 - H ALA 34 far 0 56 0 - 7.6-26.5 QB ALA 12 - H ALA 34 far 0 83 0 - 8.5-26.3 QB ALA 29 - H ALA 12 far 0 81 0 - 8.7-24.7 QB ALA 21 - H ALA 34 far 0 66 0 - 9.0-24.1 QB ALA 46 - H ALA 34 far 0 66 0 - 9.0-14.1 QB ALA 108 - H ALA 12 far 0 71 0 - 9.9-45.2 Violated in 3 structures by 0.01 A. Peak 6082 from nnoeabs.peaks (8.44, 8.44, 118.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 13 + H ASN 13 OK 100 100 - 100 Peak 6084 from nnoeabs.peaks (4.28, 8.44, 118.33 ppm; 2.65 A): 1 out of 11 assignments used, quality = 0.69: * HA ALA 12 + H ASN 13 OK 69 100 100 69 2.1-2.8 2.1/6085=42, 3.6=41...(4) HA THR 18 - H ASN 13 far 5 99 5 - 4.0-15.4 HA ALA 15 - H ASN 13 far 0 100 0 - 5.1-8.2 HA GLN 61 - H ASN 13 far 0 100 0 - 5.2-35.9 HA ALA 16 - H ASN 13 far 0 98 0 - 5.2-12.3 HA LYS 31 - H ASN 13 far 0 99 0 - 6.0-27.4 HA LYS 19 - H ASN 13 far 0 87 0 - 6.1-17.4 HA ALA 21 - H ASN 13 far 0 100 0 - 7.2-17.4 HA THR 25 - H ASN 13 far 0 99 0 - 8.0-25.5 HA LEU 22 - H ASN 13 far 0 89 0 - 8.9-20.4 HA TYR 76 - H ASN 13 far 0 65 0 - 9.8-41.2 Violated in 3 structures by 0.02 A. Peak 6085 from nnoeabs.peaks (1.36, 8.44, 118.33 ppm; 3.26 A): 1 out of 7 assignments used, quality = 0.99: * QB ALA 12 + H ASN 13 OK 99 100 100 99 2.0-3.7 2.1/6084=79, 3.7=70...(9) HG2 LYS 19 - H ASN 13 far 10 100 10 - 4.2-18.0 QB ALA 15 - H ASN 13 far 4 76 5 - 4.3-8.0 QB ALA 21 - H ASN 13 far 0 87 0 - 5.0-15.9 QB ALA 28 - H ASN 13 far 0 73 0 - 5.2-23.0 HG2 LYS 24 - H ASN 13 far 0 83 0 - 6.5-23.9 QB ALA 29 - H ASN 13 far 0 81 0 - 8.0-24.8 Violated in 6 structures by 0.06 A. Peak 6086 from nnoeabs.peaks (4.66, 8.44, 118.33 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 13 + H ASN 13 OK 100 100 100 100 2.3-2.9 3.0=100 HA PRO 56 - H ASN 13 far 0 99 0 - 9.5-43.7 Violated in 0 structures by 0.00 A. Peak 6087 from nnoeabs.peaks (2.81, 8.44, 118.33 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.99: * HB2 ASN 13 + H ASN 13 OK 99 100 100 99 3.4-4.0 176=89, 1.8/6088=79...(4) HB3 ASP 64 - H ASN 13 far 0 96 0 - 7.6-34.2 Violated in 7 structures by 0.04 A. Peak 6088 from nnoeabs.peaks (2.77, 8.44, 118.33 ppm; 3.33 A): 1 out of 3 assignments used, quality = 0.91: * HB3 ASN 13 + H ASN 13 OK 91 100 100 91 2.2-3.5 1.8/6087=64, 4.1=54...(5) HB2 ASP 64 - H ASN 13 far 0 83 0 - 7.3-35.7 HB3 ASP 35 - H ASN 13 far 0 81 0 - 9.9-36.3 Violated in 7 structures by 0.03 A. Peak 6090 from nnoeabs.peaks (6.90, 8.44, 118.33 ppm; 6.23 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 13 + H ASN 13 OK 100 100 100 100 2.6-6.0 5.6=100 HE21 GLN 61 - H ASN 13 far 4 76 5 - 7.4-38.4 Violated in 0 structures by 0.00 A. Peak 6091 from nnoeabs.peaks (8.37, 8.44, 118.33 ppm; 5.58 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 14 + H ASN 13 OK 100 100 100 100 2.0-3.6 4.7=100 H LYS 19 - H ASN 13 lone 1 89 30 3 6.0-15.9 6151/6085=2 H THR 65 - H ASN 13 far 0 93 0 - 8.9-35.2 H LYS 24 - H ASN 13 far 0 100 0 - 9.1-21.4 H LYS 26 - H ASN 13 far 0 100 0 - 9.3-26.9 Violated in 0 structures by 0.00 A. Peak 6092 from nnoeabs.peaks (7.60, 7.60, 112.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HD21 ASN 13 OK 100 100 - 100 Peak 6095 from nnoeabs.peaks (2.81, 7.60, 112.82 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 13 + HD21 ASN 13 OK 100 100 100 100 2.2-3.6 3.5=100 HB3 ASP 64 - HD21 ASN 13 far 0 96 0 - 7.5-32.9 Violated in 0 structures by 0.00 A. Peak 6096 from nnoeabs.peaks (2.77, 7.60, 112.82 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 13 + HD21 ASN 13 OK 100 100 100 100 2.2-3.5 3.5=100 HB2 ASP 64 - HD21 ASN 13 far 0 83 0 - 6.8-34.3 HB3 ASP 35 - HD21 ASN 13 far 0 81 0 - 8.5-37.5 Violated in 0 structures by 0.00 A. Peak 6097 from nnoeabs.peaks (6.90, 7.60, 112.82 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 13 + HD21 ASN 13 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 61 - HD21 ASN 13 far 0 76 0 - 7.7-35.1 Violated in 0 structures by 0.00 A. Peak 6098 from nnoeabs.peaks (6.90, 6.90, 112.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 13 + HD22 ASN 13 OK 100 100 - 100 HE21 GLN 134 + HE21 GLN 134 OK 58 58 - 100 Peak 6101 from nnoeabs.peaks (2.81, 6.90, 112.82 ppm; 4.82 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 13 + HD22 ASN 13 OK 100 100 100 100 3.5-4.1 3.5=100 HB3 ASP 47 - HE21 GLN 134 poor 8 38 20 - 5.0-13.9 HB3 ASN 85 - HE21 GLN 134 far 0 66 0 - 6.8-12.8 HB3 ASP 64 - HD22 ASN 13 far 0 96 0 - 8.5-31.8 HB3 ASP 71 - HD22 ASN 13 far 0 100 0 - 8.5-34.3 Violated in 0 structures by 0.00 A. Peak 6102 from nnoeabs.peaks (2.77, 6.90, 112.82 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 13 + HD22 ASN 13 OK 100 100 100 100 3.5-4.1 3.5=100 HB2 ASP 131 - HE21 GLN 134 far 3 69 5 - 5.9-8.6 HB2 ASP 64 - HD22 ASN 13 far 0 83 0 - 7.6-33.0 HB3 ASP 35 - HD22 ASN 13 far 0 81 0 - 8.4-38.8 Violated in 0 structures by 0.00 A. Peak 6103 from nnoeabs.peaks (7.60, 6.90, 112.82 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HD22 ASN 13 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6104 from nnoeabs.peaks (8.37, 8.37, 109.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 14 + H GLY 14 OK 100 100 - 100 Peak 6106 from nnoeabs.peaks (4.66, 8.37, 109.62 ppm; 2.91 A): 1 out of 2 assignments used, quality = 0.81: * HA ASN 13 + H GLY 14 OK 81 100 100 81 2.2-3.6 175=63, 3.0/6107=25...(4) HA PRO 56 - H GLY 14 far 0 99 0 - 6.9-43.1 Violated in 12 structures by 0.24 A. Peak 6107 from nnoeabs.peaks (2.81, 8.37, 109.62 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 13 + H GLY 14 OK 100 100 100 100 2.4-4.5 4.5=95, 3.0/6106=87...(6) HB3 ASP 64 - H GLY 14 far 0 96 0 - 8.4-33.0 Violated in 1 structures by 0.00 A. Peak 6108 from nnoeabs.peaks (2.77, 8.37, 109.62 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 13 + H GLY 14 OK 100 100 100 100 2.1-4.6 4.5=96, 3.0/6106=88...(6) HB2 ASP 64 - H GLY 14 far 0 83 0 - 8.8-34.5 HB3 ASP 35 - H GLY 14 far 0 81 0 - 9.4-35.2 Violated in 5 structures by 0.03 A. Peak 6111 from nnoeabs.peaks (3.92, 8.37, 109.62 ppm; 3.04 A): 2 out of 10 assignments used, quality = 1.00: * HA2 GLY 14 + H GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 14 + H GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 33 - H GLY 14 far 0 99 0 - 7.4-30.3 HB3 SER 60 - H GLY 14 far 0 97 0 - 7.7-38.1 HA3 GLY 111 - H GLY 14 far 0 65 0 - 8.0-51.1 HD3 PRO 113 - H GLY 14 far 0 85 0 - 8.0-48.3 HB2 SER 60 - H GLY 14 far 0 97 0 - 8.1-39.8 HB2 SER 107 - H GLY 14 far 0 100 0 - 8.2-47.0 HA2 GLY 111 - H GLY 14 far 0 95 0 - 8.5-50.0 HB2 SER 51 - H GLY 14 far 0 73 0 - 9.6-40.1 Violated in 0 structures by 0.00 A. Peak 6112 from nnoeabs.peaks (3.92, 8.37, 109.62 ppm; 3.04 A): 2 out of 10 assignments used, quality = 1.00: * HA3 GLY 14 + H GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 14 + H GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 33 - H GLY 14 far 0 99 0 - 7.4-30.3 HB3 SER 60 - H GLY 14 far 0 97 0 - 7.7-38.1 HA3 GLY 111 - H GLY 14 far 0 68 0 - 8.0-51.1 HD3 PRO 113 - H GLY 14 far 0 87 0 - 8.0-48.3 HB2 SER 60 - H GLY 14 far 0 97 0 - 8.1-39.8 HB2 SER 107 - H GLY 14 far 0 100 0 - 8.2-47.0 HA2 GLY 111 - H GLY 14 far 0 96 0 - 8.5-50.0 HB2 SER 51 - H GLY 14 far 0 76 0 - 9.6-40.1 Violated in 0 structures by 0.00 A. Peak 6113 from nnoeabs.peaks (8.14, 8.37, 109.62 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.99: * H ALA 15 + H GLY 14 OK 99 100 100 99 2.3-4.5 6115=96, 6117/3.0=39...(9) H ILE 32 - H GLY 14 far 0 100 0 - 6.2-25.8 H LEU 22 - H GLY 14 far 0 99 0 - 8.1-16.0 Violated in 6 structures by 0.04 A. Peak 6114 from nnoeabs.peaks (8.14, 8.14, 123.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 15 + H ALA 15 OK 100 100 - 100 Peak 6115 from nnoeabs.peaks (8.37, 8.14, 123.81 ppm; 4.23 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 14 + H ALA 15 OK 100 100 100 100 2.3-4.5 6113=100, 3.0/6117=40...(9) H LYS 19 - H ALA 15 far 9 89 10 - 4.8-12.5 H LYS 24 - H ALA 15 far 0 100 0 - 7.8-19.8 H LYS 26 - H ALA 15 far 0 100 0 - 9.7-25.8 H ASP 35 - H ALA 15 far 0 83 0 - 9.9-34.1 Violated in 6 structures by 0.02 A. Peak 6116 from nnoeabs.peaks (3.92, 8.14, 123.81 ppm; 3.23 A): 2 out of 10 assignments used, quality = 0.99: HA3 GLY 14 + H ALA 15 OK 91 100 100 91 2.2-3.6 3.6=74, 3.0/6113=36...(12) * HA2 GLY 14 + H ALA 15 OK 91 100 100 91 2.1-3.6 3.6=74, 3.0/6113=36...(11) HD3 PRO 113 - H ALA 15 far 0 85 0 - 5.6-48.6 HA3 GLY 111 - H ALA 15 far 0 65 0 - 6.1-51.0 HA2 GLY 111 - H ALA 15 far 0 95 0 - 6.3-49.8 HB2 SER 33 - H ALA 15 far 0 99 0 - 6.8-31.4 HB2 SER 51 - H ALA 15 far 0 73 0 - 9.0-38.7 HA ALA 41 - H ALA 15 far 0 98 0 - 9.2-37.1 HB2 SER 107 - H ALA 15 far 0 100 0 - 9.6-46.6 HB3 SER 60 - H ALA 15 far 0 97 0 - 9.9-38.7 Violated in 0 structures by 0.00 A. Peak 6117 from nnoeabs.peaks (3.92, 8.14, 123.81 ppm; 3.23 A): 2 out of 10 assignments used, quality = 0.99: * HA3 GLY 14 + H ALA 15 OK 91 100 100 91 2.2-3.6 3.6=74, 3.0/6113=36...(12) HA2 GLY 14 + H ALA 15 OK 91 100 100 91 2.1-3.6 3.6=74, 3.0/6113=36...(12) HD3 PRO 113 - H ALA 15 far 0 87 0 - 5.6-48.6 HA3 GLY 111 - H ALA 15 far 0 68 0 - 6.1-51.0 HA2 GLY 111 - H ALA 15 far 0 96 0 - 6.3-49.8 HB2 SER 33 - H ALA 15 far 0 99 0 - 6.8-31.4 HB2 SER 51 - H ALA 15 far 0 76 0 - 9.0-38.7 HA ALA 41 - H ALA 15 far 0 97 0 - 9.2-37.1 HB2 SER 107 - H ALA 15 far 0 100 0 - 9.6-46.6 HB3 SER 60 - H ALA 15 far 0 97 0 - 9.9-38.7 Violated in 0 structures by 0.00 A. Peak 6118 from nnoeabs.peaks (4.28, 8.14, 123.81 ppm; 3.45 A): 1 out of 11 assignments used, quality = 1.00: * HA ALA 15 + H ALA 15 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 12 - H ALA 15 far 5 100 5 - 4.8-9.0 HA LYS 31 - H ALA 15 far 5 99 5 - 2.0-28.0 HA ALA 16 - H ALA 15 far 5 98 5 - 4.7-6.3 HA THR 18 - H ALA 15 far 0 99 0 - 6.2-11.4 HA LYS 19 - H ALA 15 far 0 87 0 - 6.2-14.7 HA ALA 21 - H ALA 15 far 0 100 0 - 7.1-15.2 HA GLN 61 - H ALA 15 far 0 100 0 - 7.7-35.3 HA LYS 26 - H ALA 15 far 0 90 0 - 8.1-24.5 HA ARG 23 - H ALA 15 far 0 100 0 - 8.5-19.5 HA THR 25 - H ALA 15 far 0 99 0 - 9.5-24.7 Violated in 0 structures by 0.00 A. Peak 6119 from nnoeabs.peaks (1.38, 8.14, 123.81 ppm; 2.95 A): 2 out of 11 assignments used, quality = 1.00: * QB ALA 15 + H ALA 15 OK 100 100 100 100 2.0-3.0 2.9=100 QB ALA 16 + H ALA 15 OK 25 78 55 59 3.8-5.9 2.9/6122=26, ~6124=6...(19) QB ALA 12 - H ALA 15 poor 15 76 20 - 2.7-7.5 HG2 LYS 19 - H ALA 15 far 4 87 5 - 4.2-14.3 HG3 LYS 31 - H ALA 15 far 0 99 0 - 4.5-25.9 QB ALA 28 - H ALA 15 far 0 100 0 - 6.3-22.0 HG2 LYS 24 - H ALA 15 far 0 100 0 - 6.6-23.5 QB ALA 29 - H ALA 15 far 0 100 0 - 8.1-23.5 QB ALA 110 - H ALA 15 far 0 100 0 - 8.7-46.1 QB ALA 109 - H ALA 15 far 0 99 0 - 9.1-42.9 HG2 LYS 36 - H ALA 15 far 0 100 0 - 9.2-32.9 Violated in 0 structures by 0.00 A. Peak 6121 from nnoeabs.peaks (8.03, 8.03, 122.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 16 + H ALA 16 OK 100 100 - 100 H TYR 76 + H TYR 76 OK 41 41 - 100 Peak 6122 from nnoeabs.peaks (8.14, 8.03, 122.31 ppm; 4.47 A): 1 out of 6 assignments used, quality = 0.99: * H ALA 15 + H ALA 16 OK 99 100 100 99 2.1-4.6 4.6=93, 2.9/6124=44...(25) H ILE 32 - H ALA 16 far 0 100 0 - 6.3-26.2 H ILE 32 - H TYR 76 far 0 48 0 - 6.7-20.2 H ASP 71 - H TYR 76 far 0 47 0 - 6.9-8.1 H LEU 22 - H ALA 16 far 0 99 0 - 8.2-14.5 H VAL 133 - H TYR 76 far 0 47 0 - 9.1-11.4 Violated in 2 structures by 0.01 A. Peak 6123 from nnoeabs.peaks (4.28, 8.03, 122.31 ppm; 2.92 A): 3 out of 21 assignments used, quality = 1.00: HA ALA 16 + H ALA 16 OK 97 98 100 99 2.3-2.9 3.0=97, 2.1/6124=30...(5) * HA ALA 15 + H ALA 16 OK 82 100 100 82 2.1-3.6 3.6=55, 2.1/6124=30...(14) HA TYR 76 + H TYR 76 OK 25 25 100 99 2.7-2.9 3.0=97, 7017/3.1=10...(12) HA SER 74 - H TYR 76 poor 12 46 25 - 4.2-5.3 HA ALA 12 - H ALA 16 far 5 100 5 - 4.3-12.5 HA LYS 31 - H ALA 16 far 5 99 5 - 3.5-27.4 HA THR 18 - H ALA 16 far 0 99 0 - 4.9-8.2 HA ALA 21 - H ALA 16 far 0 100 0 - 5.6-14.3 HA LYS 19 - H ALA 16 far 0 87 0 - 6.9-11.1 HA ALA 110 - H ALA 16 far 0 100 0 - 6.9-52.9 HA LYS 26 - H ALA 16 far 0 90 0 - 8.0-23.1 HA ARG 23 - H ALA 16 far 0 100 0 - 8.0-17.3 HA GLN 61 - H ALA 16 far 0 100 0 - 8.6-33.7 HA LYS 36 - H ALA 16 far 0 97 0 - 8.7-35.5 HA THR 18 - H TYR 76 far 0 46 0 - 8.8-34.9 HA LYS 36 - H TYR 76 far 0 44 0 - 9.0-15.4 HA ALA 109 - H ALA 16 far 0 99 0 - 9.0-51.4 HA LYS 31 - H TYR 76 far 0 45 0 - 9.1-21.8 HA THR 25 - H ALA 16 far 0 99 0 - 9.6-23.1 HA ALA 12 - H TYR 76 far 0 48 0 - 9.7-39.8 HA LEU 22 - H ALA 16 far 0 89 0 - 9.9-15.0 Violated in 0 structures by 0.00 A. Peak 6124 from nnoeabs.peaks (1.38, 8.03, 122.31 ppm; 2.93 A): 2 out of 21 assignments used, quality = 0.95: QB ALA 16 + H ALA 16 OK 78 78 100 99 2.1-2.9 2.9=99 * QB ALA 15 + H ALA 16 OK 76 100 100 76 2.0-3.6 3.7=49, 2.1/6125=27...(6) QB ALA 12 - H ALA 16 poor 15 76 20 - 1.9-9.6 HG3 LYS 31 - H ALA 16 far 5 99 5 - 3.9-26.4 HG2 LYS 19 - H ALA 16 far 0 87 0 - 5.0-11.9 QB ALA 110 - H ALA 16 far 0 100 0 - 5.5-44.8 QB ALA 28 - H ALA 16 far 0 100 0 - 5.7-20.6 HB2 LEU 42 - H TYR 76 far 0 47 0 - 6.1-8.6 HG2 LYS 36 - H TYR 76 far 0 48 0 - 6.8-15.2 QB ALA 12 - H TYR 76 far 0 30 0 - 7.0-31.4 QB ALA 29 - H TYR 76 far 0 48 0 - 7.3-16.8 HG2 LYS 36 - H ALA 16 far 0 100 0 - 7.4-33.3 QB ALA 109 - H ALA 16 far 0 99 0 - 7.6-41.7 HG2 LYS 24 - H ALA 16 far 0 100 0 - 7.9-21.6 HG3 LYS 26 - H ALA 16 far 0 100 0 - 8.1-25.9 QB ALA 16 - H TYR 76 far 0 31 0 - 8.4-32.6 QB ALA 29 - H ALA 16 far 0 100 0 - 9.1-21.7 HG LEU 96 - H TYR 76 far 0 39 0 - 9.3-10.6 QB ALA 28 - H TYR 76 far 0 48 0 - 9.5-21.6 QB ALA 15 - H TYR 76 far 0 48 0 - 9.7-35.5 HB2 LEU 96 - H TYR 76 far 0 48 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 6125 from nnoeabs.peaks (4.28, 8.03, 122.31 ppm; 2.92 A): 2 out of 20 assignments used, quality = 1.00: * HA ALA 16 + H ALA 16 OK 99 100 100 99 2.3-2.9 3.0=97, 2.1/6124=30...(5) HA ALA 15 + H ALA 16 OK 81 98 100 82 2.1-3.6 3.6=55, 2.1/6124=30...(14) HA SER 74 - H TYR 76 poor 10 39 25 - 4.2-5.3 HA LYS 31 - H ALA 16 far 5 100 5 - 3.5-27.4 HA ALA 12 - H ALA 16 far 5 98 5 - 4.3-12.5 HA THR 18 - H ALA 16 far 0 90 0 - 4.9-8.2 HA ALA 21 - H ALA 16 far 0 93 0 - 5.6-14.3 HA LYS 19 - H ALA 16 far 0 98 0 - 6.9-11.1 HA ALA 110 - H ALA 16 far 0 99 0 - 6.9-52.9 HA LYS 26 - H ALA 16 far 0 99 0 - 8.0-23.1 HA ARG 23 - H ALA 16 far 0 97 0 - 8.0-17.3 HA GLN 61 - H ALA 16 far 0 100 0 - 8.6-33.7 HA LYS 36 - H ALA 16 far 0 100 0 - 8.7-35.5 HA THR 18 - H TYR 76 far 0 38 0 - 8.8-34.9 HA LYS 36 - H TYR 76 far 0 48 0 - 9.0-15.4 HA ALA 109 - H ALA 16 far 0 100 0 - 9.0-51.4 HA LYS 31 - H TYR 76 far 0 48 0 - 9.1-21.8 HA THR 25 - H ALA 16 far 0 92 0 - 9.6-23.1 HA ALA 12 - H TYR 76 far 0 45 0 - 9.7-39.8 HA LEU 22 - H ALA 16 far 0 99 0 - 9.9-15.0 Violated in 0 structures by 0.00 A. Peak 6126 from nnoeabs.peaks (1.40, 8.03, 122.31 ppm; 3.01 A): 2 out of 23 assignments used, quality = 1.00: * QB ALA 16 + H ALA 16 OK 100 100 100 100 2.1-2.9 2.9=100 QB ALA 15 + H ALA 16 OK 62 78 100 79 2.0-3.6 3.7=53, 2.1/6125=29...(6) QB ALA 34 - H TYR 76 poor 10 40 25 - 2.2-11.1 HG3 LYS 31 - H ALA 16 far 5 93 5 - 3.9-26.4 QB ALA 110 - H ALA 16 far 0 78 0 - 5.5-44.8 QB ALA 28 - H ALA 16 far 0 81 0 - 5.7-20.6 QB ALA 34 - H ALA 16 far 0 93 0 - 5.9-27.9 HB2 LEU 42 - H TYR 76 far 0 26 0 - 6.1-8.6 HG2 LYS 36 - H TYR 76 far 0 29 0 - 6.8-15.2 QB ALA 29 - H TYR 76 far 0 29 0 - 7.3-16.8 HG2 LYS 36 - H ALA 16 far 0 73 0 - 7.4-33.3 QB ALA 109 - H ALA 16 far 0 90 0 - 7.6-41.7 HG2 LYS 24 - H ALA 16 far 0 71 0 - 7.9-21.6 HG3 LYS 26 - H ALA 16 far 0 76 0 - 8.1-25.9 QB ALA 16 - H TYR 76 far 0 48 0 - 8.4-32.6 HG2 LYS 26 - H ALA 16 far 0 63 0 - 8.4-26.9 HG2 LYS 86 - H TYR 76 far 0 38 0 - 8.4-10.4 QB ALA 92 - H TYR 76 far 0 28 0 - 9.0-10.2 QB ALA 29 - H ALA 16 far 0 73 0 - 9.1-21.7 HG LEU 96 - H TYR 76 far 0 46 0 - 9.3-10.6 QB ALA 28 - H TYR 76 far 0 33 0 - 9.5-21.6 QB ALA 15 - H TYR 76 far 0 31 0 - 9.7-35.5 HB2 LEU 96 - H TYR 76 far 0 29 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 6127 from nnoeabs.peaks (8.32, 8.03, 122.31 ppm; 3.68 A): 1 out of 9 assignments used, quality = 0.81: * H GLY 17 + H ALA 16 OK 81 100 100 81 2.7-4.3 4.6=50, 6130/3.0=36...(6) H LYS 19 - H ALA 16 poor 15 60 25 - 4.3-9.4 H TYR 72 - H TYR 76 far 2 48 5 - 5.0-6.0 H GLY 111 - H ALA 16 far 0 89 0 - 5.3-50.1 H ALA 21 - H ALA 16 far 0 96 0 - 6.3-12.0 H ALA 110 - H ALA 16 far 0 85 0 - 7.3-52.2 H GLU 44 - H ALA 16 far 0 95 0 - 8.5-36.4 H GLY 17 - H TYR 76 far 0 48 0 - 9.5-37.2 H LEU 69 - H TYR 76 far 0 33 0 - 9.8-10.5 Violated in 11 structures by 0.18 A. Peak 6128 from nnoeabs.peaks (8.32, 8.32, 107.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLY 17 + H GLY 17 OK 100 100 - 100 H GLY 111 + H GLY 111 OK 45 45 - 100 Peak 6130 from nnoeabs.peaks (4.28, 8.32, 107.83 ppm; 2.84 A): 2 out of 28 assignments used, quality = 0.82: * HA ALA 16 + H GLY 17 OK 70 100 100 70 2.1-3.0 3.6=50, 3.0/6127=33...(5) HA ALA 110 + H GLY 111 OK 41 54 100 76 2.5-3.6 3.6=50, 7570/4.5=13...(14) HA ALA 15 - H GLY 17 poor 17 98 45 37 3.3-7.0 3.6/6127=28, 2.1/6131=7...(5) HA ALA 109 - H GLY 111 poor 13 57 65 36 3.0-6.7 7570/4.5=10, 3525=6...(12) HA LYS 31 - H GLY 17 far 5 100 5 - 3.8-26.3 HA THR 18 - H GLY 17 far 5 90 5 - 4.1-5.4 HA ALA 16 - H GLY 111 far 3 57 5 - 4.2-50.4 HA ALA 110 - H GLY 17 far 0 99 0 - 4.9-53.9 HA ALA 12 - H GLY 17 far 0 98 0 - 4.9-13.6 HA ALA 21 - H GLY 17 far 0 93 0 - 5.2-12.1 HA LYS 26 - H GLY 111 far 0 55 0 - 5.5-34.2 HA LYS 36 - H GLY 17 far 0 100 0 - 5.7-35.7 HA LYS 19 - H GLY 17 far 0 98 0 - 5.7-8.7 HB THR 115 - H GLY 111 far 0 57 0 - 6.2-11.2 HA ALA 21 - H GLY 111 far 0 48 0 - 6.2-45.7 HA ALA 108 - H GLY 111 far 0 57 0 - 6.4-9.8 HA THR 18 - H GLY 111 far 0 46 0 - 6.5-50.2 HA ALA 15 - H GLY 111 far 0 53 0 - 6.7-53.5 HA GLN 61 - H GLY 111 far 0 56 0 - 8.1-19.8 HA ALA 109 - H GLY 17 far 0 100 0 - 8.1-52.6 HA ARG 23 - H GLY 17 far 0 97 0 - 8.2-14.5 HA ARG 23 - H GLY 111 far 0 52 0 - 8.2-39.9 HA ALA 108 - H GLY 17 far 0 100 0 - 8.5-50.0 HA LYS 19 - H GLY 111 far 0 53 0 - 8.5-48.4 HA LYS 26 - H GLY 17 far 0 99 0 - 8.9-20.4 HA THR 25 - H GLY 111 far 0 47 0 - 9.5-35.5 HA LEU 22 - H GLY 17 far 0 99 0 - 9.6-13.6 HA THR 25 - H GLY 17 far 0 92 0 - 9.7-20.3 Violated in 1 structures by 0.00 A. Peak 6131 from nnoeabs.peaks (1.40, 8.32, 107.83 ppm; 4.00 A): 4 out of 22 assignments used, quality = 1.00: * QB ALA 16 + H GLY 17 OK 100 100 100 100 1.9-3.7 3.7=100 QB ALA 15 + H GLY 17 OK 41 78 80 65 2.3-6.4 3.7/6127=54, 2.1/6130=11...(6) QB ALA 110 + H GLY 111 OK 38 38 100 100 1.8-3.3 3.7=100 QB ALA 109 + H GLY 111 OK 29 46 95 67 2.2-5.6 7571/4.5=18...(11) QB ALA 108 - H GLY 111 far 6 41 15 - 5.0-8.8 QB ALA 16 - H GLY 111 far 6 57 10 - 2.3-40.1 HG3 LYS 31 - H GLY 17 far 5 93 5 - 4.2-25.2 QB ALA 34 - H GLY 17 far 5 93 5 - 5.4-27.1 QB ALA 110 - H GLY 17 far 4 78 5 - 5.3-45.6 HG2 LYS 36 - H GLY 17 far 4 73 5 - 4.8-33.4 QB ALA 15 - H GLY 111 far 2 38 5 - 4.8-44.2 HG3 LYS 26 - H GLY 111 far 2 36 5 - 5.4-32.9 HG2 LYS 26 - H GLY 111 far 1 29 5 - 4.2-31.6 QB ALA 28 - H GLY 17 far 0 81 0 - 6.7-21.7 QB ALA 109 - H GLY 17 far 0 90 0 - 6.8-42.7 HG2 LYS 24 - H GLY 17 far 0 71 0 - 7.0-19.0 QB ALA 28 - H GLY 111 far 0 39 0 - 8.6-26.2 QB ALA 108 - H GLY 17 far 0 83 0 - 9.0-40.9 QB ALA 29 - H GLY 17 far 0 73 0 - 9.5-21.0 HG2 LYS 26 - H GLY 17 far 0 63 0 - 9.6-24.1 HG3 LYS 26 - H GLY 17 far 0 76 0 - 9.7-23.1 QB ALA 29 - H GLY 111 far 0 35 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 6132 from nnoeabs.peaks (3.96, 8.32, 107.83 ppm; 3.05 A): 4 out of 21 assignments used, quality = 1.00: * HA2 GLY 17 + H GLY 17 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 17 + H GLY 17 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 111 + H GLY 111 OK 46 46 100 100 2.3-3.0 3.0=100 HA2 GLY 111 + H GLY 111 OK 26 26 100 100 2.3-2.9 3.0=100 HA3 GLY 111 - H GLY 17 far 5 90 5 - 3.7-50.2 HB2 SER 51 - H GLY 17 far 4 85 5 - 2.5-36.1 HB3 SER 51 - H GLY 17 far 4 83 5 - 3.6-35.2 HA2 GLY 111 - H GLY 17 far 3 57 5 - 3.9-49.2 HA3 GLY 17 - H GLY 111 far 3 57 5 - 3.7-49.6 HB3 SER 106 - H GLY 111 far 0 45 0 - 4.7-14.8 HA VAL 20 - H GLY 17 far 0 60 0 - 4.7-10.6 HD3 PRO 117 - H GLY 111 far 0 53 0 - 4.9-16.0 HB2 SER 106 - H GLY 111 far 0 56 0 - 5.2-14.7 HA2 GLY 17 - H GLY 111 far 0 57 0 - 5.5-51.3 HD3 PRO 113 - H GLY 111 far 0 35 0 - 5.7-7.3 HB3 SER 106 - H GLY 17 far 0 89 0 - 6.2-49.5 HB3 SER 107 - H GLY 111 far 0 57 0 - 6.3-14.2 HA VAL 20 - H GLY 111 far 0 27 0 - 6.4-45.4 HB2 SER 106 - H GLY 17 far 0 100 0 - 6.5-49.2 HD3 PRO 113 - H GLY 17 far 0 73 0 - 7.3-47.7 HA LEU 100 - H GLY 111 far 0 57 0 - 9.2-15.6 Violated in 0 structures by 0.00 A. Peak 6133 from nnoeabs.peaks (3.96, 8.32, 107.83 ppm; 3.05 A): 4 out of 21 assignments used, quality = 1.00: HA2 GLY 17 + H GLY 17 OK 100 100 100 100 2.3-3.0 3.0=100 * HA3 GLY 17 + H GLY 17 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 111 + H GLY 111 OK 46 46 100 100 2.3-3.0 3.0=100 HA2 GLY 111 + H GLY 111 OK 26 26 100 100 2.3-2.9 3.0=100 HA3 GLY 111 - H GLY 17 far 5 90 5 - 3.7-50.2 HB2 SER 51 - H GLY 17 far 4 85 5 - 2.5-36.1 HB3 SER 51 - H GLY 17 far 4 83 5 - 3.6-35.2 HA2 GLY 111 - H GLY 17 far 3 57 5 - 3.9-49.2 HA3 GLY 17 - H GLY 111 far 3 57 5 - 3.7-49.6 HB3 SER 106 - H GLY 111 far 0 45 0 - 4.7-14.8 HA VAL 20 - H GLY 17 far 0 60 0 - 4.7-10.6 HD3 PRO 117 - H GLY 111 far 0 53 0 - 4.9-16.0 HB2 SER 106 - H GLY 111 far 0 56 0 - 5.2-14.7 HA2 GLY 17 - H GLY 111 far 0 57 0 - 5.5-51.3 HD3 PRO 113 - H GLY 111 far 0 35 0 - 5.7-7.3 HB3 SER 106 - H GLY 17 far 0 89 0 - 6.2-49.5 HB3 SER 107 - H GLY 111 far 0 57 0 - 6.3-14.2 HA VAL 20 - H GLY 111 far 0 27 0 - 6.4-45.4 HB2 SER 106 - H GLY 17 far 0 100 0 - 6.5-49.2 HD3 PRO 113 - H GLY 17 far 0 73 0 - 7.3-47.7 HA LEU 100 - H GLY 111 far 0 57 0 - 9.2-15.6 Violated in 0 structures by 0.00 A. Peak 6134 from nnoeabs.peaks (7.97, 8.32, 107.83 ppm; 3.53 A): 1 out of 7 assignments used, quality = 0.85: * H THR 18 + H GLY 17 OK 85 100 100 85 2.1-3.7 6136=59, 6137/3.0=33...(7) H SER 51 - H GLY 17 far 5 97 5 - 4.9-35.4 H SER 38 - H GLY 17 far 0 98 0 - 5.8-33.8 H ILE 37 - H GLY 17 far 0 99 0 - 6.3-32.5 H LYS 36 - H GLY 17 far 0 76 0 - 6.5-33.2 H THR 18 - H GLY 111 far 0 57 0 - 6.8-51.7 H ASP 64 - H GLY 111 far 0 48 0 - 7.0-17.4 Violated in 3 structures by 0.01 A. Peak 6135 from nnoeabs.peaks (7.97, 7.97, 113.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 18 + H THR 18 OK 100 100 - 100 Peak 6136 from nnoeabs.peaks (8.32, 7.97, 113.82 ppm; 3.14 A): 2 out of 8 assignments used, quality = 0.94: * H GLY 17 + H THR 18 OK 87 100 100 87 2.1-3.7 6134=71, 3.0/6137=27...(7) H LYS 19 + H THR 18 OK 52 60 100 87 1.8-4.4 6144=46, 3.6/6139=36...(8) H ALA 21 - H THR 18 poor 8 96 35 23 3.7-7.2 2.9/10683=7, 6180/3.0=5...(6) H GLY 111 - H THR 18 far 0 89 0 - 6.8-51.7 H ALA 110 - H THR 18 far 0 85 0 - 7.2-53.9 H GLU 44 - H THR 18 far 0 95 0 - 8.6-34.8 H LEU 49 - H THR 18 far 0 89 0 - 8.9-32.2 H ALA 28 - H THR 18 far 0 99 0 - 9.0-22.5 Violated in 1 structures by 0.01 A. Peak 6137 from nnoeabs.peaks (3.96, 7.97, 113.82 ppm; 2.92 A): 2 out of 9 assignments used, quality = 0.97: * HA2 GLY 17 + H THR 18 OK 82 100 100 82 2.1-3.6 3.6=55, 3.0/6134=37...(6) HA3 GLY 17 + H THR 18 OK 82 100 100 82 2.5-3.6 3.6=55, 3.0/6134=37...(6) HB2 SER 51 - H THR 18 far 4 85 5 - 2.9-36.8 HB3 SER 51 - H THR 18 far 4 83 5 - 3.7-35.3 HA VAL 20 - H THR 18 far 0 60 0 - 5.1-8.4 HA2 GLY 111 - H THR 18 far 0 57 0 - 6.0-49.7 HA3 GLY 111 - H THR 18 far 0 90 0 - 6.1-50.7 HB3 SER 106 - H THR 18 far 0 89 0 - 6.5-50.4 HB2 SER 106 - H THR 18 far 0 100 0 - 6.7-50.2 Violated in 0 structures by 0.00 A. Peak 6138 from nnoeabs.peaks (3.96, 7.97, 113.82 ppm; 2.92 A): 2 out of 9 assignments used, quality = 0.97: HA2 GLY 17 + H THR 18 OK 82 100 100 82 2.1-3.6 3.6=55, 3.0/6134=37...(6) * HA3 GLY 17 + H THR 18 OK 82 100 100 82 2.5-3.6 3.6=55, 3.0/6134=37...(6) HB2 SER 51 - H THR 18 far 4 85 5 - 2.9-36.8 HB3 SER 51 - H THR 18 far 4 83 5 - 3.7-35.3 HA VAL 20 - H THR 18 far 0 60 0 - 5.1-8.4 HA2 GLY 111 - H THR 18 far 0 57 0 - 6.0-49.7 HA3 GLY 111 - H THR 18 far 0 90 0 - 6.1-50.7 HB3 SER 106 - H THR 18 far 0 89 0 - 6.5-50.4 HB2 SER 106 - H THR 18 far 0 100 0 - 6.7-50.2 Violated in 0 structures by 0.00 A. Peak 6139 from nnoeabs.peaks (4.29, 7.97, 113.82 ppm; 2.92 A): 2 out of 18 assignments used, quality = 1.00: * HA THR 18 + H THR 18 OK 100 100 100 100 2.8-2.9 3.0=97, 226/6144=44...(10) HA ALA 16 + H THR 18 OK 21 90 50 47 4.1-6.4 3.6/6134=31, 4.9/6137=10...(4) HA ALA 15 - H THR 18 far 15 99 15 - 3.8-8.6 HA LYS 19 - H THR 18 far 7 71 10 - 4.4-5.6 HA ALA 21 - H THR 18 far 5 100 5 - 4.2-9.6 HA LYS 36 - H THR 18 far 4 89 5 - 4.2-35.6 HA ALA 12 - H THR 18 far 0 99 0 - 4.8-14.6 HA LYS 31 - H THR 18 far 0 92 0 - 5.2-25.2 HA ALA 110 - H THR 18 far 0 99 0 - 5.3-54.6 HA LYS 26 - H THR 18 far 0 76 0 - 7.0-19.3 HA ARG 23 - H THR 18 far 0 99 0 - 7.3-13.2 HA ALA 109 - H THR 18 far 0 92 0 - 7.3-53.3 HA LEU 22 - H THR 18 far 0 73 0 - 7.7-11.3 HA ALA 108 - H THR 18 far 0 92 0 - 7.9-51.0 HA TYR 76 - H THR 18 far 0 83 0 - 8.0-36.3 HA THR 25 - H THR 18 far 0 100 0 - 8.2-18.7 HA GLN 61 - H THR 18 far 0 97 0 - 9.2-34.3 HA2 GLY 75 - H THR 18 far 0 68 0 - 9.9-35.4 Violated in 2 structures by 0.00 A. Peak 6140 from nnoeabs.peaks (4.19, 7.97, 113.82 ppm; 3.05 A): 1 out of 4 assignments used, quality = 0.97: * HB THR 18 + H THR 18 OK 97 100 100 97 2.2-3.4 227=73, 2.1/6141=60...(8) HA SER 51 - H THR 18 far 0 76 0 - 5.0-36.7 HB3 SER 38 - H THR 18 far 0 60 0 - 5.5-36.3 HB THR 25 - H THR 18 far 0 99 0 - 6.5-19.8 Violated in 3 structures by 0.03 A. Peak 6141 from nnoeabs.peaks (1.17, 7.97, 113.82 ppm; 3.14 A): 1 out of 5 assignments used, quality = 0.95: * QG2 THR 18 + H THR 18 OK 95 100 100 95 3.3-4.0 2.1/6140=65, 232=57...(8) QG2 THR 25 - H THR 18 far 0 90 0 - 5.2-16.3 QB ALA 41 - H THR 18 far 0 100 0 - 6.2-27.6 HG12 ILE 32 - H THR 18 far 0 98 0 - 9.3-25.1 HB3 LEU 62 - H THR 18 far 0 65 0 - 10.0-39.1 Violated in 20 structures by 0.43 A. Peak 6142 from nnoeabs.peaks (8.35, 7.97, 113.82 ppm; 3.17 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 19 + H THR 18 OK 100 100 100 100 1.8-4.4 6144=100, 226/3.0=55...(9) H GLY 17 + H THR 18 OK 44 60 100 73 2.1-3.7 4.4=37, 3.0/6137=27...(7) H GLY 14 - H THR 18 far 4 89 5 - 4.5-11.8 H LYS 24 - H THR 18 far 0 83 0 - 6.3-13.7 H LYS 26 - H THR 18 far 0 81 0 - 6.8-20.1 H GLU 44 - H THR 18 far 0 90 0 - 8.6-34.8 H ALA 28 - H THR 18 far 0 78 0 - 9.0-22.5 Violated in 1 structures by 0.01 A. Peak 6143 from nnoeabs.peaks (8.35, 8.35, 123.97 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 19 + H LYS 19 OK 100 100 - 100 H LYS 86 + H LYS 86 OK 69 69 - 100 Peak 6144 from nnoeabs.peaks (7.97, 8.35, 123.97 ppm; 3.11 A): 1 out of 5 assignments used, quality = 0.96: * H THR 18 + H LYS 19 OK 96 100 100 96 1.8-4.4 6142=66, 3.0/226=53...(9) H SER 51 - H LYS 19 far 0 97 0 - 6.0-36.1 H SER 38 - H LYS 19 far 0 98 0 - 6.2-33.3 H ILE 37 - H LYS 19 far 0 99 0 - 7.9-32.0 H LYS 36 - H LYS 19 far 0 76 0 - 8.2-32.5 Violated in 3 structures by 0.19 A. Peak 6145 from nnoeabs.peaks (4.29, 8.35, 123.97 ppm; 2.73 A): 2 out of 18 assignments used, quality = 0.99: * HA THR 18 + H LYS 19 OK 97 100 100 97 2.4-3.6 226=84, 3.0/6144=38...(15) HA LYS 19 + H LYS 19 OK 68 71 100 96 2.8-2.9 3.0=79, 3.0/6149=41...(15) HA ALA 15 - H LYS 19 far 15 99 15 - 2.8-11.1 HA LYS 31 - H LYS 19 far 5 92 5 - 2.8-24.3 HA ALA 16 - H LYS 19 far 5 90 5 - 3.8-8.6 HA ALA 21 - H LYS 19 far 0 100 0 - 5.2-7.5 HA PHE 87 - H LYS 86 far 0 40 0 - 5.2-5.5 HA LYS 36 - H LYS 19 far 0 89 0 - 5.5-35.2 HA ALA 12 - H LYS 19 far 0 99 0 - 5.6-16.0 HA ARG 23 - H LYS 19 far 0 99 0 - 5.8-13.4 HA LYS 26 - H LYS 19 far 0 76 0 - 6.0-19.6 HA ALA 110 - H LYS 19 far 0 99 0 - 6.3-53.4 HA LEU 22 - H LYS 19 far 0 73 0 - 7.0-10.3 HA THR 25 - H LYS 19 far 0 100 0 - 7.4-18.6 HA ALA 108 - H LYS 19 far 0 92 0 - 7.7-50.1 HA ALA 109 - H LYS 19 far 0 92 0 - 8.7-52.2 HA TYR 76 - H LYS 19 far 0 83 0 - 9.0-35.3 HA GLN 61 - H LYS 19 far 0 97 0 - 9.8-32.7 Violated in 13 structures by 0.03 A. Peak 6146 from nnoeabs.peaks (4.19, 8.35, 123.97 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.99: * HB THR 18 + H LYS 19 OK 99 100 100 99 2.0-3.2 3.0/226=61, 6140/6144=56...(17) HB THR 25 - H LYS 19 far 0 99 0 - 5.0-19.7 HB THR 83 - H LYS 86 far 0 44 0 - 5.0-5.3 HA SER 51 - H LYS 19 far 0 76 0 - 6.2-37.9 HB3 SER 38 - H LYS 19 far 0 60 0 - 6.5-35.9 HA ALA 88 - H LYS 86 far 0 68 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 6147 from nnoeabs.peaks (1.17, 8.35, 123.97 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * QG2 THR 18 + H LYS 19 OK 100 100 100 100 2.0-3.5 2.1/6146=76, 3.2/226=67...(13) QG2 VAL 77 + H LYS 86 OK 37 68 55 99 4.4-6.5 11193/2.9=58...(17) QG2 THR 25 - H LYS 19 far 5 90 5 - 4.1-16.1 QB ALA 41 - H LYS 19 far 0 100 0 - 8.0-27.5 HG12 ILE 32 - H LYS 19 far 0 98 0 - 8.0-24.3 Violated in 0 structures by 0.00 A. Peak 6148 from nnoeabs.peaks (4.27, 8.35, 123.97 ppm; 2.74 A): 3 out of 19 assignments used, quality = 0.99: * HA LYS 19 + H LYS 19 OK 96 100 100 96 2.8-2.9 3.0=80, 3.0/6149=41...(16) HA THR 18 + H LYS 19 OK 63 71 100 89 2.4-3.6 226=50, 3.0/6144=38...(15) HA ARG 84 + H LYS 86 OK 24 55 80 55 4.0-4.4 2530/7154=14...(12) HA ALA 15 - H LYS 19 far 13 87 15 - 2.8-11.1 HA ALA 16 - H LYS 19 far 5 98 5 - 3.8-8.6 HA LYS 31 - H LYS 19 far 5 97 5 - 2.8-24.3 HA ALA 21 - H LYS 19 far 0 76 0 - 5.2-7.5 HA PHE 87 - H LYS 86 far 0 73 0 - 5.2-5.5 HA LYS 36 - H LYS 19 far 0 99 0 - 5.5-35.2 HA ALA 12 - H LYS 19 far 0 87 0 - 5.6-16.0 HA ARG 23 - H LYS 19 far 0 85 0 - 5.8-13.4 HA LYS 26 - H LYS 19 far 0 100 0 - 6.0-19.6 HA ALA 110 - H LYS 19 far 0 89 0 - 6.3-53.4 HA LEU 22 - H LYS 19 far 0 100 0 - 7.0-10.3 HA ALA 28 - H LYS 19 far 0 60 0 - 7.1-21.4 HA THR 25 - H LYS 19 far 0 73 0 - 7.4-18.6 HA ALA 108 - H LYS 19 far 0 97 0 - 7.7-50.1 HA ALA 109 - H LYS 19 far 0 97 0 - 8.7-52.2 HA GLN 61 - H LYS 19 far 0 93 0 - 9.8-32.7 Violated in 6 structures by 0.01 A. Peak 6149 from nnoeabs.peaks (1.75, 8.35, 123.97 ppm; 2.90 A): 1 out of 9 assignments used, quality = 0.95: * HB2 LYS 19 + H LYS 19 OK 95 100 100 95 2.2-3.0 3.9=40, 6161/6159=30...(37) HB ILE 80 - H LYS 86 poor 13 64 20 - 4.2-5.7 HB2 LYS 24 - H LYS 19 far 5 100 5 - 4.0-14.3 HB2 LYS 31 - H LYS 19 far 5 99 5 - 4.4-25.0 HB2 LYS 26 - H LYS 19 far 0 100 0 - 5.7-22.0 HG3 ARG 90 - H LYS 86 far 0 57 0 - 6.0-9.7 HB2 ARG 23 - H LYS 19 far 0 100 0 - 6.9-12.5 HG13 ILE 129 - H LYS 86 far 0 71 0 - 8.2-11.0 HB2 LYS 39 - H LYS 19 far 0 97 0 - 9.4-38.8 Violated in 2 structures by 0.01 A. Peak 6150 from nnoeabs.peaks (1.81, 8.35, 123.97 ppm; 3.39 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LYS 19 + H LYS 19 OK 100 100 100 100 3.5-4.0 1.8/6149=84, 3.9=64...(36) HB2 LYS 86 + H LYS 86 OK 56 58 100 96 2.1-2.7 4.0=62, 1.8/7140=30...(21) HB2 ARG 84 - H LYS 86 poor 16 72 45 50 4.3-5.8 2533/7098=21...(10) HB3 LYS 31 - H LYS 19 far 10 100 10 - 3.3-24.1 HB3 LYS 24 - H LYS 19 far 10 100 10 - 3.6-14.3 HB3 LYS 26 - H LYS 19 far 0 99 0 - 5.1-21.9 HB3 ARG 135 - H LYS 86 far 0 71 0 - 5.3-10.3 HB2 LYS 36 - H LYS 19 far 0 100 0 - 7.4-34.5 HB2 CYS 79 - H LYS 19 far 0 65 0 - 8.1-37.2 HB3 ARG 23 - H LYS 19 far 0 97 0 - 8.2-13.5 HB ILE 32 - H LYS 19 far 0 99 0 - 8.7-25.6 HB2 CYS 79 - H LYS 86 far 0 40 0 - 9.7-11.8 HB VAL 93 - H LYS 86 far 0 60 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 6151 from nnoeabs.peaks (1.36, 8.35, 123.97 ppm; 3.70 A): 1 out of 13 assignments used, quality = 1.00: * HG2 LYS 19 + H LYS 19 OK 100 100 100 100 1.8-4.0 3.0/6149=71, 1.8/6152=54...(51) QB ALA 15 - H LYS 19 poor 17 87 20 - 3.4-10.2 QB ALA 21 - H LYS 19 poor 17 76 50 44 3.8-6.8 6163/6159=15...(7) HG2 LYS 24 - H LYS 19 far 5 92 5 - 5.1-16.6 HG2 LYS 36 - H LYS 19 far 5 90 5 - 5.0-32.6 HG3 LYS 31 - H LYS 19 far 3 68 5 - 3.4-22.7 QB ALA 12 - H LYS 19 lone 3 100 40 6 3.1-13.8 10686/226=2...(3) QB ALA 28 - H LYS 19 far 0 85 0 - 6.2-19.4 QB ALA 110 - H LYS 19 far 0 87 0 - 6.3-44.9 QB ALA 109 - H LYS 19 far 0 73 0 - 6.6-42.2 HG3 LYS 26 - H LYS 19 far 0 89 0 - 7.6-21.9 QB ALA 29 - H LYS 19 far 0 90 0 - 8.3-20.5 QB ALA 108 - H LYS 19 far 0 83 0 - 8.4-40.9 Violated in 3 structures by 0.03 A. Peak 6152 from nnoeabs.peaks (1.44, 8.35, 123.97 ppm; 3.56 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 19 + H LYS 19 OK 99 100 100 99 2.8-4.6 3.0/6149=67, 1.8/6151=57...(51) HG2 LYS 86 + H LYS 86 OK 43 48 100 91 3.4-4.6 4.5=51, 3.0/7140=26...(15) HG3 LYS 24 - H LYS 19 poor 20 100 20 - 4.0-16.3 HG2 LYS 31 - H LYS 19 far 5 100 5 - 4.7-23.1 HG3 LYS 36 - H LYS 19 far 0 76 0 - 5.6-32.6 HG13 ILE 32 - H LYS 19 far 0 100 0 - 7.8-23.1 QB ALA 34 - H LYS 19 far 0 71 0 - 7.9-27.6 HG2 LYS 26 - H LYS 19 far 0 97 0 - 7.9-23.1 QB ALA 92 - H LYS 86 far 0 63 0 - 8.4-9.0 Violated in 3 structures by 0.04 A. Peak 6153 from nnoeabs.peaks (1.65, 8.35, 123.97 ppm; 5.14 A): 9 out of 16 assignments used, quality = 1.00: * HD2 LYS 19 + H LYS 19 OK 100 100 100 100 1.9-5.3 3.9/6149=88, 3.0/6151=76...(76) HD3 LYS 19 + H LYS 19 OK 100 100 100 100 3.3-5.1 3.9/6149=88, 3.0/6151=76...(76) HD3 LYS 86 + H LYS 86 OK 68 68 100 100 3.4-6.0 5.6=76, ~2704=51...(27) HD2 LYS 86 + H LYS 86 OK 68 68 100 100 4.5-5.7 5.6=76, ~2704=51...(27) QB ALA 88 + H LYS 86 OK 65 65 100 99 4.9-5.4 2750/3.6=83, 9853/4.4=58...(12) HG3 ARG 84 + H LYS 86 OK 57 65 100 87 3.9-6.6 4.6/7098=48, 2595/3.6=20...(15) HG2 ARG 84 + H LYS 86 OK 57 65 100 87 4.0-6.5 4.6/7098=48, 2595/3.6=18...(14) HD3 LYS 24 + H LYS 19 OK 28 97 35 82 3.9-15.4 3.0/281=6, ~822=4...(75) HD2 LYS 24 + H LYS 19 OK 20 96 25 84 5.4-15.5 3.0/281=6, ~822=4...(77) HD3 LYS 31 - H LYS 19 far 10 97 10 - 6.3-22.9 HD3 LYS 26 - H LYS 19 far 5 98 5 - 6.6-21.2 HD2 LYS 31 - H LYS 19 far 5 96 5 - 5.6-22.1 HG3 ARG 23 - H LYS 19 far 4 76 5 - 6.2-12.0 HD2 LYS 26 - H LYS 19 far 0 97 0 - 7.1-20.9 HD3 LYS 36 - H LYS 19 far 0 81 0 - 7.2-31.2 HD2 LYS 36 - H LYS 19 far 0 81 0 - 7.9-30.4 Violated in 0 structures by 0.00 A. Peak 6154 from nnoeabs.peaks (1.65, 8.35, 123.97 ppm; 5.14 A): 9 out of 16 assignments used, quality = 1.00: HD2 LYS 19 + H LYS 19 OK 100 100 100 100 1.9-5.3 3.9/6149=88, 3.0/6151=76...(76) * HD3 LYS 19 + H LYS 19 OK 100 100 100 100 3.3-5.1 3.9/6149=88, 3.0/6151=76...(76) HD3 LYS 86 + H LYS 86 OK 68 68 100 100 3.4-6.0 5.6=76, ~2704=51...(27) HD2 LYS 86 + H LYS 86 OK 68 68 100 100 4.5-5.7 5.6=76, ~2704=51...(27) QB ALA 88 + H LYS 86 OK 65 65 100 99 4.9-5.4 2750/3.6=83, 9853/4.4=58...(12) HG3 ARG 84 + H LYS 86 OK 57 65 100 87 3.9-6.6 4.6/7098=48, 2595/3.6=20...(15) HG2 ARG 84 + H LYS 86 OK 57 65 100 87 4.0-6.5 4.6/7098=48, 2595/3.6=18...(14) HD3 LYS 24 + H LYS 19 OK 28 97 35 82 3.9-15.4 3.0/281=6, ~822=4...(75) HD2 LYS 24 + H LYS 19 OK 20 96 25 84 5.4-15.5 3.0/281=6, ~822=4...(77) HD3 LYS 31 - H LYS 19 far 10 97 10 - 6.3-22.9 HD3 LYS 26 - H LYS 19 far 5 98 5 - 6.6-21.2 HD2 LYS 31 - H LYS 19 far 5 96 5 - 5.6-22.1 HG3 ARG 23 - H LYS 19 far 4 76 5 - 6.2-12.0 HD2 LYS 26 - H LYS 19 far 0 97 0 - 7.1-20.9 HD3 LYS 36 - H LYS 19 far 0 81 0 - 7.2-31.2 HD2 LYS 36 - H LYS 19 far 0 81 0 - 7.9-30.4 Violated in 0 structures by 0.00 A. Peak 6157 from nnoeabs.peaks (8.06, 8.35, 123.97 ppm; 3.38 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 20 + H LYS 19 OK 100 100 100 100 1.9-3.3 6159=100, 6161/6149=47...(18) HD22 ASN 85 - H LYS 86 poor 7 55 50 27 2.4-5.8 1.7/7132=9, 7127/3.9=9...(5) H LEU 48 - H LYS 19 far 0 87 0 - 7.1-34.7 H CYS 79 - H LYS 86 far 0 53 0 - 8.0-10.0 H ALA 108 - H LYS 19 far 0 87 0 - 8.4-48.6 H ALA 109 - H LYS 19 far 0 83 0 - 8.5-49.4 Violated in 0 structures by 0.00 A. Peak 6158 from nnoeabs.peaks (8.06, 8.06, 121.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 20 + H VAL 20 OK 100 100 - 100 Peak 6159 from nnoeabs.peaks (8.35, 8.06, 121.67 ppm; 3.31 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 19 + H VAL 20 OK 99 100 100 99 1.9-3.3 6157=87, 6149/6161=45...(17) H LYS 24 - H VAL 20 far 12 83 15 - 4.3-11.1 H GLY 17 - H VAL 20 poor 12 60 20 - 2.9-8.0 H LYS 26 - H VAL 20 far 0 81 0 - 5.2-17.7 H GLY 14 - H VAL 20 far 0 89 0 - 5.6-14.1 H ALA 28 - H VAL 20 far 0 78 0 - 5.8-19.1 Violated in 1 structures by 0.00 A. Peak 6160 from nnoeabs.peaks (4.27, 8.06, 121.67 ppm; 3.06 A): 2 out of 18 assignments used, quality = 0.98: * HA LYS 19 + H VAL 20 OK 97 100 100 97 2.7-3.5 3.6=63, 3.0/6159=45...(19) HA THR 18 + H VAL 20 OK 30 71 70 62 3.4-5.2 3.6/6159=37...(9) HA ALA 16 - H VAL 20 far 10 98 10 - 3.9-10.3 HA LYS 31 - H VAL 20 far 5 97 5 - 3.7-23.1 HA ALA 15 - H VAL 20 far 4 87 5 - 2.7-11.0 HA ARG 23 - H VAL 20 far 4 85 5 - 4.4-11.1 HA ALA 21 - H VAL 20 far 4 76 5 - 4.5-5.3 HA ALA 28 - H VAL 20 far 0 60 0 - 4.9-19.6 HA LEU 22 - H VAL 20 far 0 100 0 - 5.8-7.7 HA LYS 36 - H VAL 20 far 0 99 0 - 5.9-33.3 HA ALA 12 - H VAL 20 far 0 87 0 - 6.0-16.2 HA LYS 26 - H VAL 20 far 0 100 0 - 6.0-17.2 HA ALA 110 - H VAL 20 far 0 89 0 - 6.3-51.2 HA ALA 108 - H VAL 20 far 0 97 0 - 6.4-47.9 HA THR 25 - H VAL 20 far 0 73 0 - 7.5-16.1 HA ALA 109 - H VAL 20 far 0 97 0 - 8.5-50.1 HA GLN 27 - H VAL 20 far 0 76 0 - 8.9-17.7 HA GLN 61 - H VAL 20 far 0 93 0 - 9.2-30.7 Violated in 13 structures by 0.18 A. Peak 6161 from nnoeabs.peaks (1.75, 8.06, 121.67 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 19 + H VAL 20 OK 100 100 100 100 2.6-4.3 1.8/6162=76, 258=68...(19) HB2 LYS 24 - H VAL 20 far 15 100 15 - 4.0-12.6 HB2 LYS 31 - H VAL 20 far 10 99 10 - 4.1-23.7 HB2 LYS 26 - H VAL 20 far 5 100 5 - 4.7-19.5 HB2 ARG 23 - H VAL 20 far 0 100 0 - 5.7-10.0 HB2 LYS 39 - H VAL 20 far 0 97 0 - 9.0-36.5 Violated in 4 structures by 0.05 A. Peak 6162 from nnoeabs.peaks (1.81, 8.06, 121.67 ppm; 3.70 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 19 + H VAL 20 OK 100 100 100 100 3.7-4.5 1.8/6161=72...(17) HB3 LYS 24 - H VAL 20 far 15 100 15 - 2.8-12.7 HB3 LYS 31 - H VAL 20 far 10 100 10 - 3.4-23.0 HB3 LYS 26 - H VAL 20 far 5 99 5 - 4.3-19.4 HB3 ARG 23 - H VAL 20 far 0 97 0 - 6.2-11.4 HB2 LYS 36 - H VAL 20 far 0 100 0 - 6.9-32.6 HB ILE 32 - H VAL 20 far 0 99 0 - 9.3-23.7 HB2 CYS 79 - H VAL 20 far 0 65 0 - 9.8-36.6 Violated in 18 structures by 0.39 A. Peak 6163 from nnoeabs.peaks (1.36, 8.06, 121.67 ppm; 4.84 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 19 + H VAL 20 OK 100 100 100 100 3.9-5.6 3.0/6162=85, 3.0/6161=84...(15) QB ALA 21 + H VAL 20 OK 76 76 100 100 3.9-4.9 2.9/6173=93...(10) QB ALA 28 - H VAL 20 far 13 85 15 - 5.5-17.5 HG2 LYS 24 - H VAL 20 poor 8 92 40 21 3.1-14.2 1.8/6164=7, 241/3.6=4...(9) HG3 LYS 31 - H VAL 20 far 7 68 10 - 3.7-20.7 HG2 LYS 36 - H VAL 20 far 5 90 5 - 4.6-30.7 QB ALA 110 - H VAL 20 far 4 87 5 - 5.0-43.2 QB ALA 12 - H VAL 20 lone 2 100 35 4 3.4-14.0 6151/6159=2 QB ALA 15 - H VAL 20 lone 0 87 25 2 3.5-10.2 QB ALA 29 - H VAL 20 far 0 90 0 - 6.7-18.8 HG3 LYS 26 - H VAL 20 far 0 89 0 - 6.7-19.4 QB ALA 109 - H VAL 20 far 0 73 0 - 7.0-40.5 QB ALA 108 - H VAL 20 far 0 83 0 - 7.3-39.1 QB ALA 46 - H VAL 20 far 0 76 0 - 9.9-27.4 Violated in 0 structures by 0.00 A. Peak 6164 from nnoeabs.peaks (1.44, 8.06, 121.67 ppm; 4.79 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 19 + H VAL 20 OK 100 100 100 100 4.5-5.8 3.0/6162=84, 3.0/6161=83...(14) HG2 LYS 31 - H VAL 20 far 15 100 15 - 5.4-21.8 HG3 LYS 24 - H VAL 20 poor 9 100 35 25 2.6-13.8 281/6159=5, 822/3.6=5...(8) HG3 LYS 36 - H VAL 20 far 4 76 5 - 4.7-30.7 HG2 LYS 26 - H VAL 20 far 0 97 0 - 6.7-20.7 QB ALA 34 - H VAL 20 far 0 71 0 - 8.0-26.5 HG13 ILE 32 - H VAL 20 far 0 100 0 - 8.6-21.1 Violated in 15 structures by 0.36 A. Peak 6165 from nnoeabs.peaks (1.65, 8.06, 121.67 ppm; 6.80 A): 3 out of 11 assignments used, quality = 1.00: * HD2 LYS 19 + H VAL 20 OK 100 100 100 100 3.7-6.6 3.9/6162=99, 3.9/6161=98...(9) HD3 LYS 19 + H VAL 20 OK 100 100 100 100 5.0-6.5 3.9/6162=99, 3.9/6161=98...(9) HG3 ARG 23 + H VAL 20 OK 63 76 85 98 4.8-9.6 ~11960=53, ~11943=53...(14) HD3 LYS 31 - H VAL 20 far 14 97 15 - 6.2-22.1 HD2 LYS 31 - H VAL 20 far 14 96 15 - 5.7-20.7 HD3 LYS 24 - H VAL 20 poor 13 97 40 32 3.6-13.2 3.0/6164=8, 6154/6159=5...(10) HD2 LYS 24 - H VAL 20 poor 12 96 40 31 4.9-13.4 3.0/6164=8, 3.0/6163=4...(10) HD3 LYS 26 - H VAL 20 far 5 98 5 - 4.8-18.9 HD2 LYS 26 - H VAL 20 far 5 97 5 - 5.6-18.6 HD3 LYS 36 - H VAL 20 far 4 81 5 - 6.3-29.3 HD2 LYS 36 - H VAL 20 far 4 81 5 - 7.2-28.5 Violated in 0 structures by 0.00 A. Peak 6166 from nnoeabs.peaks (1.65, 8.06, 121.67 ppm; 6.80 A): 3 out of 11 assignments used, quality = 1.00: HD2 LYS 19 + H VAL 20 OK 100 100 100 100 3.7-6.6 3.9/6162=99, 3.9/6161=98...(9) * HD3 LYS 19 + H VAL 20 OK 100 100 100 100 5.0-6.5 3.9/6162=99, 3.9/6161=98...(9) HG3 ARG 23 + H VAL 20 OK 63 76 85 98 4.8-9.6 ~11960=53, ~11943=53...(14) HD3 LYS 31 - H VAL 20 far 14 97 15 - 6.2-22.1 HD2 LYS 31 - H VAL 20 far 14 96 15 - 5.7-20.7 HD3 LYS 24 - H VAL 20 poor 13 97 40 32 3.6-13.2 3.0/6164=8, 6154/6159=5...(10) HD2 LYS 24 - H VAL 20 poor 12 96 40 31 4.9-13.4 3.0/6164=8, 3.0/6163=4...(10) HD3 LYS 26 - H VAL 20 far 5 98 5 - 4.8-18.9 HD2 LYS 26 - H VAL 20 far 5 97 5 - 5.6-18.6 HD3 LYS 36 - H VAL 20 far 4 81 5 - 6.3-29.3 HD2 LYS 36 - H VAL 20 far 4 81 5 - 7.2-28.5 Violated in 0 structures by 0.00 A. Peak 6169 from nnoeabs.peaks (3.99, 8.06, 121.67 ppm; 3.03 A): 1 out of 10 assignments used, quality = 1.00: * HA VAL 20 + H VAL 20 OK 100 100 100 100 2.7-2.9 3.0=100 HA2 GLY 17 - H VAL 20 poor 12 60 80 25 3.2-8.3 343/6170=9, 349/348=7...(4) HB3 SER 51 - H VAL 20 far 5 98 5 - 4.3-34.6 HA3 GLY 17 - H VAL 20 far 3 60 5 - 3.2-8.5 HB3 SER 106 - H VAL 20 far 0 96 0 - 5.7-47.0 HB2 SER 106 - H VAL 20 far 0 73 0 - 5.8-46.8 HB2 SER 38 - H VAL 20 far 0 73 0 - 6.3-34.3 HA ILE 37 - H VAL 20 far 0 57 0 - 8.2-31.2 HA SER 50 - H VAL 20 far 0 99 0 - 9.1-33.8 HA THR 65 - H VAL 20 far 0 83 0 - 9.2-28.2 Violated in 0 structures by 0.00 A. Peak 6170 from nnoeabs.peaks (2.00, 8.06, 121.67 ppm; 2.78 A): 1 out of 10 assignments used, quality = 0.93: * HB VAL 20 + H VAL 20 OK 93 100 100 93 2.3-3.6 342=68, 2.1/348=47...(6) HB3 GLU 30 - H VAL 20 far 0 87 0 - 5.1-23.1 HB3 MET 11 - H VAL 20 far 0 81 0 - 5.6-20.0 HG2 PRO 58 - H VAL 20 far 0 71 0 - 5.8-35.5 HB2 GLU 55 - H VAL 20 far 0 97 0 - 6.3-37.7 HG2 PRO 56 - H VAL 20 far 0 99 0 - 7.2-39.7 HG3 PRO 56 - H VAL 20 far 0 99 0 - 8.2-41.3 HB2 GLU 44 - H VAL 20 far 0 78 0 - 9.2-32.8 HB3 PRO 56 - H VAL 20 far 0 100 0 - 9.4-40.7 HB3 LEU 53 - H VAL 20 far 0 99 0 - 9.8-35.3 Violated in 14 structures by 0.22 A. Peak 6171 from nnoeabs.peaks (0.91, 8.06, 121.67 ppm; 3.05 A): 2 out of 9 assignments used, quality = 1.00: * QG1 VAL 20 + H VAL 20 OK 100 100 100 100 1.7-2.5 348=83, 2.1/6170=68...(14) QG2 VAL 20 + H VAL 20 OK 88 90 100 97 2.1-3.8 2.1/6170=68, 2.1/348=57...(10) QD1 LEU 48 - H VAL 20 far 5 90 5 - 3.5-24.6 QD1 LEU 22 - H VAL 20 far 0 95 0 - 4.7-7.9 QG2 ILE 37 - H VAL 20 far 0 63 0 - 5.7-25.3 QD2 LEU 48 - H VAL 20 far 0 100 0 - 6.0-24.5 QG2 VAL 112 - H VAL 20 far 0 90 0 - 7.5-40.8 QD1 LEU 49 - H VAL 20 far 0 100 0 - 8.5-27.0 QD2 LEU 123 - H VAL 20 far 0 76 0 - 9.2-28.8 Violated in 0 structures by 0.00 A. Peak 6172 from nnoeabs.peaks (0.89, 8.06, 121.67 ppm; 3.24 A): 2 out of 7 assignments used, quality = 1.00: * QG2 VAL 20 + H VAL 20 OK 99 100 100 99 2.1-3.8 2.1/6170=75, 2.1/348=64...(10) QG1 VAL 20 + H VAL 20 OK 90 90 100 100 1.7-2.5 348=84, 2.1/6170=75...(14) QD1 LEU 22 - H VAL 20 far 5 100 5 - 4.7-7.9 QD2 LEU 48 - H VAL 20 far 0 89 0 - 6.0-24.5 QG2 VAL 57 - H VAL 20 far 0 60 0 - 6.7-29.8 QD1 LEU 49 - H VAL 20 far 0 81 0 - 8.5-27.0 QD2 LEU 123 - H VAL 20 far 0 99 0 - 9.2-28.8 Violated in 0 structures by 0.00 A. Peak 6173 from nnoeabs.peaks (8.31, 8.06, 121.67 ppm; 3.10 A): 1 out of 7 assignments used, quality = 0.95: * H ALA 21 + H VAL 20 OK 95 100 100 95 2.4-3.0 6176/3.0=57, 6175=47...(10) H GLY 17 - H VAL 20 poor 19 96 20 - 2.9-8.0 H ALA 28 - H VAL 20 far 0 85 0 - 5.8-19.1 H LEU 49 - H VAL 20 far 0 100 0 - 7.0-31.2 H GLY 111 - H VAL 20 far 0 100 0 - 7.2-48.2 H ALA 110 - H VAL 20 far 0 99 0 - 7.5-50.5 H GLU 40 - H VAL 20 far 0 65 0 - 9.0-36.0 Violated in 0 structures by 0.00 A. Peak 6174 from nnoeabs.peaks (8.31, 8.31, 127.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 21 + H ALA 21 OK 100 100 - 100 Peak 6175 from nnoeabs.peaks (8.06, 8.31, 127.69 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 20 + H ALA 21 OK 100 100 100 100 2.4-3.0 6173=100, 3.0/6176=84...(12) H ALA 108 - H ALA 21 far 0 87 0 - 6.1-44.9 H ALA 109 - H ALA 21 far 0 83 0 - 6.3-45.7 H LEU 48 - H ALA 21 far 0 87 0 - 8.7-31.3 Violated in 0 structures by 0.00 A. Peak 6176 from nnoeabs.peaks (3.99, 8.31, 127.69 ppm; 2.64 A): 1 out of 9 assignments used, quality = 0.94: * HA VAL 20 + H ALA 21 OK 94 100 100 94 3.1-3.6 341=72, 3.0/6173=35...(10) HA2 GLY 17 - H ALA 21 far 9 60 15 - 2.5-9.9 HA3 GLY 17 - H ALA 21 far 6 60 10 - 3.7-10.3 HB2 SER 38 - H ALA 21 far 0 73 0 - 4.5-33.7 HB2 SER 106 - H ALA 21 far 0 73 0 - 5.6-45.6 HB3 SER 106 - H ALA 21 far 0 96 0 - 6.3-45.7 HB3 SER 51 - H ALA 21 far 0 98 0 - 6.6-33.2 HA ILE 37 - H ALA 21 far 0 57 0 - 7.2-30.8 HA THR 65 - H ALA 21 far 0 83 0 - 8.5-26.7 Violated in 20 structures by 0.69 A. Peak 6177 from nnoeabs.peaks (2.00, 8.31, 127.69 ppm; 3.57 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 20 + H ALA 21 OK 100 100 100 100 1.9-4.1 347=90, 3.0/6176=71...(11) HB3 GLU 30 - H ALA 21 far 0 87 0 - 5.9-21.9 HG2 PRO 58 - H ALA 21 far 0 71 0 - 6.6-34.2 HB3 MET 11 - H ALA 21 far 0 81 0 - 7.5-21.4 HB2 GLU 55 - H ALA 21 far 0 97 0 - 8.0-35.7 HG2 PRO 56 - H ALA 21 far 0 99 0 - 9.6-37.9 HB2 GLU 44 - H ALA 21 far 0 78 0 - 9.8-32.1 Violated in 14 structures by 0.20 A. Peak 6178 from nnoeabs.peaks (0.91, 8.31, 127.69 ppm; 3.99 A): 3 out of 8 assignments used, quality = 1.00: * QG1 VAL 20 + H ALA 21 OK 100 100 100 100 1.7-3.9 2.1/6177=80, 3.2/6176=79...(14) QG2 VAL 20 + H ALA 21 OK 90 90 100 100 3.3-4.5 2.1/6177=80, 3.2/6176=79...(15) QD1 LEU 22 + H ALA 21 OK 43 95 75 61 2.7-6.5 4.9/6184=42, ~401=6...(12) QD1 LEU 48 - H ALA 21 far 5 90 5 - 5.1-23.5 QG2 ILE 37 - H ALA 21 far 0 63 0 - 6.2-24.9 QD2 LEU 48 - H ALA 21 far 0 100 0 - 7.0-23.4 QG1 VAL 118 - H ALA 21 far 0 99 0 - 8.9-31.4 QG2 VAL 112 - H ALA 21 far 0 90 0 - 9.7-39.6 Violated in 0 structures by 0.00 A. Peak 6179 from nnoeabs.peaks (0.89, 8.31, 127.69 ppm; 3.90 A): 3 out of 7 assignments used, quality = 1.00: * QG2 VAL 20 + H ALA 21 OK 100 100 100 100 3.3-4.5 2.1/6177=77, 3.2/6176=77...(16) QG1 VAL 20 + H ALA 21 OK 90 90 100 100 1.7-3.9 2.1/6177=77, 3.2/6176=77...(13) QD1 LEU 22 + H ALA 21 OK 39 100 65 60 2.7-6.5 408/6184=41, ~401=6...(12) QG2 VAL 57 - H ALA 21 far 0 60 0 - 6.9-28.4 QD2 LEU 48 - H ALA 21 far 0 89 0 - 7.0-23.4 QG1 VAL 118 - H ALA 21 far 0 99 0 - 8.9-31.4 QD1 LEU 98 - H ALA 21 far 0 60 0 - 9.3-36.5 Violated in 0 structures by 0.00 A. Peak 6180 from nnoeabs.peaks (4.29, 8.31, 127.69 ppm; 3.12 A): 2 out of 16 assignments used, quality = 1.00: * HA ALA 21 + H ALA 21 OK 100 100 100 100 2.3-2.9 3.0=100 HA LYS 19 + H ALA 21 OK 31 76 80 51 2.9-5.8 3.6/6173=41, 11764/4.3=6...(6) HA THR 18 - H ALA 21 poor 17 100 50 34 3.5-6.2 10685/4.3=13...(7) HA LEU 22 - H ALA 21 far 4 78 5 - 4.5-5.4 HA ALA 108 - H ALA 21 far 0 95 0 - 4.8-46.4 HA LYS 36 - H ALA 21 far 0 92 0 - 5.0-33.0 HA ALA 15 - H ALA 21 far 0 100 0 - 5.5-12.4 HA ARG 23 - H ALA 21 far 0 100 0 - 5.6-8.3 HA ALA 110 - H ALA 21 far 0 99 0 - 5.7-49.8 HA THR 25 - H ALA 21 far 0 100 0 - 5.8-13.6 HA LYS 31 - H ALA 21 far 0 95 0 - 6.2-22.2 HA ALA 16 - H ALA 21 far 0 93 0 - 6.4-12.5 HA ALA 109 - H ALA 21 far 0 95 0 - 6.6-48.5 HA ALA 12 - H ALA 21 far 0 100 0 - 6.9-17.4 HA GLN 61 - H ALA 21 far 0 98 0 - 7.1-29.4 HA LYS 26 - H ALA 21 far 0 81 0 - 7.9-14.5 Violated in 0 structures by 0.00 A. Peak 6181 from nnoeabs.peaks (1.34, 8.31, 127.69 ppm; 2.85 A): 1 out of 3 assignments used, quality = 0.97: * QB ALA 21 + H ALA 21 OK 97 100 100 97 2.0-3.0 2.9=91, 6186/6184=36...(7) QB ALA 12 - H ALA 21 far 4 87 5 - 3.8-15.3 HG2 LYS 19 - H ALA 21 far 0 76 0 - 5.4-8.2 Violated in 4 structures by 0.01 A. Peak 6182 from nnoeabs.peaks (8.15, 8.31, 127.69 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 22 + H ALA 21 OK 100 100 100 100 2.5-3.9 6184=100, 6186/6181=80...(9) H ALA 15 - H ALA 21 far 0 99 0 - 7.4-13.0 H ILE 32 - H ALA 21 far 0 99 0 - 9.1-21.7 Violated in 0 structures by 0.00 A. Peak 6183 from nnoeabs.peaks (8.15, 8.15, 121.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 22 + H LEU 22 OK 100 100 - 100 Peak 6184 from nnoeabs.peaks (8.31, 8.15, 121.80 ppm; 3.39 A): 1 out of 7 assignments used, quality = 0.95: * H ALA 21 + H LEU 22 OK 95 100 100 95 2.5-3.9 6181/6186=61, 6182=58...(9) H ALA 28 - H LEU 22 far 0 85 0 - 5.3-16.0 H GLY 17 - H LEU 22 far 0 96 0 - 6.9-12.0 H ALA 110 - H LEU 22 far 0 99 0 - 7.0-46.3 H GLU 40 - H LEU 22 far 0 65 0 - 7.9-32.8 H GLY 111 - H LEU 22 far 0 100 0 - 8.7-44.1 H LEU 69 - H LEU 22 far 0 98 0 - 9.9-25.1 Violated in 1 structures by 0.03 A. Peak 6185 from nnoeabs.peaks (4.29, 8.15, 121.80 ppm; 2.53 A): 2 out of 16 assignments used, quality = 0.92: * HA ALA 21 + H LEU 22 OK 76 100 100 76 2.1-3.5 2.1/6186=42, 3.6=35...(7) HA LEU 22 + H LEU 22 OK 68 78 100 87 2.7-2.9 2.9=63, 2.9/6188=29...(7) HA LYS 19 - H LEU 22 far 11 76 15 - 3.5-8.0 HA THR 18 - H LEU 22 far 5 100 5 - 3.6-8.2 HA ARG 23 - H LEU 22 far 0 100 0 - 4.1-5.5 HA ALA 108 - H LEU 22 far 0 95 0 - 4.3-43.7 HA THR 25 - H LEU 22 far 0 100 0 - 6.2-10.7 HA LYS 36 - H LEU 22 far 0 92 0 - 6.6-31.4 HA ALA 110 - H LEU 22 far 0 99 0 - 6.6-47.1 HA ALA 15 - H LEU 22 far 0 100 0 - 6.7-15.4 HA LYS 31 - H LEU 22 far 0 95 0 - 6.8-21.3 HA ALA 109 - H LEU 22 far 0 95 0 - 7.1-45.8 HA ALA 16 - H LEU 22 far 0 93 0 - 7.3-14.2 HA ALA 12 - H LEU 22 far 0 100 0 - 7.3-17.4 HA LYS 26 - H LEU 22 far 0 81 0 - 7.6-11.5 HA GLN 61 - H LEU 22 far 0 98 0 - 8.0-26.7 Violated in 18 structures by 0.16 A. Peak 6186 from nnoeabs.peaks (1.34, 8.15, 121.80 ppm; 3.05 A): 1 out of 3 assignments used, quality = 0.97: * QB ALA 21 + H LEU 22 OK 97 100 100 97 2.9-3.7 367=86, 6181/6184=44...(7) QB ALA 12 - H LEU 22 far 0 87 0 - 5.2-14.3 HG2 LYS 19 - H LEU 22 far 0 76 0 - 6.0-11.0 Violated in 17 structures by 0.29 A. Peak 6187 from nnoeabs.peaks (4.27, 8.15, 121.80 ppm; 2.53 A): 2 out of 17 assignments used, quality = 0.95: * HA LEU 22 + H LEU 22 OK 89 100 100 89 2.7-2.9 2.9=63, 2.9/6188=29...(8) HA ALA 21 + H LEU 22 OK 59 78 100 76 2.1-3.5 2.1/6186=42, 3.6=35...(7) HA LYS 19 - H LEU 22 far 15 100 15 - 3.5-8.0 HA THR 18 - H LEU 22 far 4 73 5 - 3.6-8.2 HA ARG 23 - H LEU 22 far 0 87 0 - 4.1-5.5 HA ALA 108 - H LEU 22 far 0 98 0 - 4.3-43.7 HA THR 25 - H LEU 22 far 0 76 0 - 6.2-10.7 HA LYS 36 - H LEU 22 far 0 99 0 - 6.6-31.4 HA ALA 110 - H LEU 22 far 0 90 0 - 6.6-47.1 HA ALA 15 - H LEU 22 far 0 89 0 - 6.7-15.4 HA LYS 31 - H LEU 22 far 0 98 0 - 6.8-21.3 HA ALA 109 - H LEU 22 far 0 98 0 - 7.1-45.8 HA ALA 16 - H LEU 22 far 0 99 0 - 7.3-14.2 HA ALA 12 - H LEU 22 far 0 89 0 - 7.3-17.4 HA GLN 27 - H LEU 22 far 0 73 0 - 7.5-14.9 HA LYS 26 - H LEU 22 far 0 100 0 - 7.6-11.5 HA GLN 61 - H LEU 22 far 0 95 0 - 8.0-26.7 Violated in 18 structures by 0.16 A. Peak 6188 from nnoeabs.peaks (1.54, 8.15, 121.80 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 22 + H LEU 22 OK 100 100 100 100 2.6-3.7 376=79, 1.8/384=51...(25) HG13 ILE 37 - H LEU 22 far 0 89 0 - 9.3-29.4 Violated in 4 structures by 0.03 A. Peak 6189 from nnoeabs.peaks (1.62, 8.15, 121.80 ppm; 2.78 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 22 + H LEU 22 OK 95 100 100 95 2.1-3.8 1.8/6188=49, 384=36...(19) HG LEU 22 + H LEU 22 OK 92 100 100 92 1.9-4.3 3.0/6188=35, 3.0/384=26...(15) HG3 ARG 23 - H LEU 22 poor 16 98 30 54 3.5-6.5 3.8/10728=27, 452/4.6=8...(9) Violated in 3 structures by 0.02 A. Peak 6190 from nnoeabs.peaks (1.62, 8.15, 121.80 ppm; 2.93 A): 3 out of 3 assignments used, quality = 1.00: HB3 LEU 22 + H LEU 22 OK 97 100 100 97 2.1-3.8 1.8/6188=55, 384=43...(20) * HG LEU 22 + H LEU 22 OK 95 100 100 95 1.9-4.3 3.0/6188=40, 3.0/384=29...(15) HG3 ARG 23 + H LEU 22 OK 20 98 35 59 3.5-6.5 3.8/10728=30, 452/4.6=10...(10) Violated in 1 structures by 0.00 A. Peak 6191 from nnoeabs.peaks (0.84, 8.15, 121.80 ppm; 4.86 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 22 + H LEU 22 OK 100 100 100 100 1.7-4.8 400=100, 373/2.9=94...(17) QG2 ILE 32 - H LEU 22 far 0 95 0 - 7.1-19.1 QD1 LEU 98 - H LEU 22 far 0 81 0 - 7.5-34.4 QG2 VAL 57 - H LEU 22 far 0 81 0 - 8.7-26.2 Violated in 0 structures by 0.00 A. Peak 6192 from nnoeabs.peaks (0.89, 8.15, 121.80 ppm; 3.69 A): 3 out of 8 assignments used, quality = 1.00: * QD1 LEU 22 + H LEU 22 OK 100 100 100 100 2.0-4.4 3.1/6188=60, 374/2.9=56...(20) QG2 VAL 20 + H LEU 22 OK 76 100 95 80 2.3-6.4 4.3/6184=41...(9) QG1 VAL 20 + H LEU 22 OK 67 95 95 74 2.3-7.0 4.3/6184=41...(7) QD1 LEU 48 - H LEU 22 far 0 60 0 - 5.8-23.0 QD2 LEU 48 - H LEU 22 far 0 93 0 - 7.6-22.1 QG1 VAL 118 - H LEU 22 far 0 100 0 - 7.9-29.2 QD2 LEU 98 - H LEU 22 far 0 87 0 - 9.1-32.2 QG2 VAL 112 - H LEU 22 far 0 60 0 - 10.0-37.3 Violated in 1 structures by 0.00 A. Peak 6193 from nnoeabs.peaks (8.24, 8.15, 121.80 ppm; 5.58 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 23 + H LEU 22 OK 100 100 100 100 1.8-3.5 4.6=100 H ALA 29 - H LEU 22 far 0 100 0 - 7.8-15.7 H SER 107 - H LEU 22 far 0 97 0 - 8.2-40.5 H LYS 31 - H LEU 22 far 0 96 0 - 8.4-18.7 H GLU 30 - H LEU 22 far 0 89 0 - 8.7-17.1 Violated in 0 structures by 0.00 A. Peak 6194 from nnoeabs.peaks (8.24, 8.24, 121.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 23 + H ARG 23 OK 100 100 - 100 Peak 6195 from nnoeabs.peaks (8.15, 8.24, 121.99 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 22 + H ARG 23 OK 100 100 100 100 1.8-3.5 4.6=100 H ILE 32 - H ARG 23 far 0 99 0 - 8.6-19.3 H ALA 15 - H ARG 23 far 0 99 0 - 9.7-18.5 Violated in 0 structures by 0.00 A. Peak 6196 from nnoeabs.peaks (4.27, 8.24, 121.99 ppm; 2.53 A): 2 out of 17 assignments used, quality = 1.00: * HA LEU 22 + H ARG 23 OK 99 100 100 99 2.2-3.6 375=97, 2.9/6197=26...(17) HA ARG 23 + H ARG 23 OK 82 87 100 94 2.3-2.9 2.9=64, 3.0/6203=35...(13) HA ALA 21 - H ARG 23 poor 7 78 35 27 3.5-5.7 2.1/10726=17, 6187/4.6=6...(5) HA LYS 19 - H ARG 23 far 5 100 5 - 3.8-11.0 HA ALA 108 - H ARG 23 far 0 98 0 - 4.1-42.0 HA THR 18 - H ARG 23 far 0 73 0 - 5.1-9.8 HA ALA 110 - H ARG 23 far 0 90 0 - 6.1-45.5 HA LYS 36 - H ARG 23 far 0 99 0 - 6.3-29.7 HA LYS 26 - H ARG 23 far 0 100 0 - 6.4-9.8 HA ALA 109 - H ARG 23 far 0 98 0 - 6.6-44.3 HA LYS 31 - H ARG 23 far 0 98 0 - 6.8-20.6 HA THR 25 - H ARG 23 far 0 76 0 - 7.1-8.4 HA GLN 27 - H ARG 23 far 0 73 0 - 7.4-13.2 HA ALA 15 - H ARG 23 far 0 89 0 - 7.5-16.4 HA ALA 16 - H ARG 23 far 0 99 0 - 7.8-15.5 HA ALA 12 - H ARG 23 far 0 89 0 - 9.4-17.8 HA GLN 61 - H ARG 23 far 0 95 0 - 9.5-25.4 Violated in 12 structures by 0.12 A. Peak 6197 from nnoeabs.peaks (1.54, 8.24, 121.99 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LEU 22 + H ARG 23 OK 99 100 100 99 1.9-4.0 2.9/375=74, 383=58...(20) HG13 ILE 37 - H ARG 23 far 0 89 0 - 8.6-27.9 Violated in 3 structures by 0.02 A. Peak 6198 from nnoeabs.peaks (1.62, 8.24, 121.99 ppm; 3.67 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 22 + H ARG 23 OK 100 100 100 100 2.4-4.6 2.9/375=77, 1.8/383=57...(19) HG LEU 22 + H ARG 23 OK 98 100 100 98 2.9-4.5 4.3/375=50, 3.0/383=46...(22) HG3 ARG 23 + H ARG 23 OK 98 98 100 100 2.3-4.5 430/6203=71, 3.0/6204=67...(22) Violated in 0 structures by 0.00 A. Peak 6199 from nnoeabs.peaks (1.62, 8.24, 121.99 ppm; 3.86 A): 3 out of 3 assignments used, quality = 1.00: HB3 LEU 22 + H ARG 23 OK 100 100 100 100 2.4-4.6 2.9/375=82, 1.8/383=64...(19) * HG LEU 22 + H ARG 23 OK 99 100 100 99 2.9-4.5 4.3/375=56, 2.1/6200=51...(22) HG3 ARG 23 + H ARG 23 OK 98 98 100 100 2.3-4.5 430/6203=77, 3.0/6204=73...(22) Violated in 0 structures by 0.00 A. Peak 6200 from nnoeabs.peaks (0.84, 8.24, 121.99 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 22 + H ARG 23 OK 100 100 100 100 1.8-4.9 373/375=95, 407=87...(21) QG2 ILE 32 - H ARG 23 far 9 95 10 - 6.0-18.0 QD1 LEU 98 - H ARG 23 far 0 81 0 - 6.2-32.9 QG2 VAL 57 - H ARG 23 far 0 81 0 - 9.0-25.3 Violated in 2 structures by 0.02 A. Peak 6201 from nnoeabs.peaks (0.89, 8.24, 121.99 ppm; 4.03 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 22 + H ARG 23 OK 100 100 100 100 3.0-5.4 374/375=71, 3.1/6197=65...(20) QG2 VAL 20 + H ARG 23 OK 70 100 90 77 3.2-7.6 3.2/11783=43...(11) QG1 VAL 20 + H ARG 23 OK 45 95 60 80 2.1-7.9 3.2/11783=43...(10) QD1 LEU 48 - H ARG 23 far 0 60 0 - 6.0-22.6 QG1 VAL 118 - H ARG 23 far 0 100 0 - 7.1-27.9 QD2 LEU 48 - H ARG 23 far 0 93 0 - 7.3-21.1 QD2 LEU 98 - H ARG 23 far 0 87 0 - 7.9-30.6 Violated in 1 structures by 0.00 A. Peak 6202 from nnoeabs.peaks (4.29, 8.24, 121.99 ppm; 2.53 A): 2 out of 16 assignments used, quality = 0.99: * HA ARG 23 + H ARG 23 OK 95 100 100 95 2.3-2.9 2.9=64, 3.0/6203=35...(14) HA LEU 22 + H ARG 23 OK 81 87 100 93 2.2-3.6 375=78, 2.9/6197=26...(16) HA ALA 21 - H ARG 23 poor 10 100 35 28 3.5-5.7 2.1/10726=17, 6185/4.6=8...(5) HA LYS 19 - H ARG 23 far 4 85 5 - 3.8-11.0 HA ALA 108 - H ARG 23 far 0 98 0 - 4.1-42.0 HA THR 18 - H ARG 23 far 0 99 0 - 5.1-9.8 HA ALA 110 - H ARG 23 far 0 100 0 - 6.1-45.5 HA LYS 36 - H ARG 23 far 0 97 0 - 6.3-29.7 HA LYS 26 - H ARG 23 far 0 89 0 - 6.4-9.8 HA ALA 109 - H ARG 23 far 0 98 0 - 6.6-44.3 HA LYS 31 - H ARG 23 far 0 98 0 - 6.8-20.6 HA THR 25 - H ARG 23 far 0 100 0 - 7.1-8.4 HA ALA 15 - H ARG 23 far 0 100 0 - 7.5-16.4 HA ALA 16 - H ARG 23 far 0 97 0 - 7.8-15.5 HA ALA 12 - H ARG 23 far 0 100 0 - 9.4-17.8 HA GLN 61 - H ARG 23 far 0 100 0 - 9.5-25.4 Violated in 12 structures by 0.12 A. Peak 6203 from nnoeabs.peaks (1.75, 8.24, 121.99 ppm; 2.86 A): 1 out of 7 assignments used, quality = 0.96: * HB2 ARG 23 + H ARG 23 OK 96 100 100 96 2.6-4.0 1.8/6204=61, 425=59...(10) HB2 LYS 26 - H ARG 23 far 5 100 5 - 3.7-11.5 HB2 LYS 24 - H ARG 23 far 5 99 5 - 4.3-6.9 HB2 LYS 19 - H ARG 23 far 0 100 0 - 5.1-12.2 HB2 LYS 31 - H ARG 23 far 0 96 0 - 5.5-20.5 HB2 LEU 48 - H ARG 23 far 0 68 0 - 8.5-27.4 HB2 LYS 39 - H ARG 23 far 0 99 0 - 9.0-31.5 Violated in 12 structures by 0.28 A. Peak 6204 from nnoeabs.peaks (1.82, 8.24, 121.99 ppm; 3.04 A): 1 out of 7 assignments used, quality = 0.99: * HB3 ARG 23 + H ARG 23 OK 99 100 100 99 2.7-4.0 434=73, 1.8/6203=73...(10) HB3 LYS 24 - H ARG 23 far 15 98 15 - 4.0-6.7 HB3 LYS 26 - H ARG 23 far 5 100 5 - 4.1-11.2 HB3 LYS 19 - H ARG 23 far 5 97 5 - 4.5-11.9 HB3 LYS 31 - H ARG 23 far 0 97 0 - 5.0-20.0 HB2 LYS 36 - H ARG 23 far 0 99 0 - 7.1-29.3 HB ILE 32 - H ARG 23 far 0 100 0 - 8.9-20.4 Violated in 19 structures by 0.61 A. Peak 6205 from nnoeabs.peaks (1.57, 8.24, 121.99 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 23 + H ARG 23 OK 100 100 100 100 1.9-3.3 3.0/6203=72, 3.0/6204=69...(21) HG13 ILE 37 - H ARG 23 far 0 93 0 - 8.6-27.9 Violated in 0 structures by 0.00 A. Peak 6206 from nnoeabs.peaks (1.63, 8.24, 121.99 ppm; 3.82 A): 3 out of 6 assignments used, quality = 1.00: * HG3 ARG 23 + H ARG 23 OK 100 100 100 100 2.3-4.5 430/6203=77, 3.0/6204=72...(22) HB3 LEU 22 + H ARG 23 OK 98 98 100 100 2.4-4.6 2.9/375=81, 1.8/383=62...(19) HG LEU 22 + H ARG 23 OK 97 98 100 99 2.9-4.5 4.3/375=54, 2.1/6200=50...(22) HB2 LEU 98 - H ARG 23 far 0 68 0 - 5.8-38.5 HD3 LYS 19 - H ARG 23 far 0 76 0 - 6.3-14.2 HD2 LYS 19 - H ARG 23 far 0 76 0 - 6.4-12.5 Violated in 0 structures by 0.00 A. Peak 6207 from nnoeabs.peaks (3.17, 8.24, 121.99 ppm; 5.36 A): 2 out of 6 assignments used, quality = 1.00: HD3 ARG 23 + H ARG 23 OK 100 100 100 100 2.0-5.3 3.7/6203=95, 3.0/6205=93...(18) * HD2 ARG 23 + H ARG 23 OK 100 100 100 100 2.9-5.3 3.7/6203=95, 3.0/6205=93...(18) HB2 HIS 10 - H ARG 23 far 0 99 0 - 7.1-22.6 HB3 HIS 7 - H ARG 23 far 0 93 0 - 8.4-32.0 HB2 HIS 6 - H ARG 23 far 0 96 0 - 8.7-32.8 HB3 HIS 6 - H ARG 23 far 0 100 0 - 9.4-34.5 Violated in 0 structures by 0.00 A. Peak 6208 from nnoeabs.peaks (3.17, 8.24, 121.99 ppm; 5.36 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 23 + H ARG 23 OK 100 100 100 100 2.0-5.3 3.7/6203=95, 3.0/6205=93...(18) HD2 ARG 23 + H ARG 23 OK 100 100 100 100 2.9-5.3 3.7/6203=95, 3.0/6205=93...(18) HB2 HIS 10 - H ARG 23 far 0 99 0 - 7.1-22.6 HB3 HIS 7 - H ARG 23 far 0 93 0 - 8.4-32.0 HB2 HIS 6 - H ARG 23 far 0 96 0 - 8.7-32.8 HB3 HIS 6 - H ARG 23 far 0 100 0 - 9.4-34.5 Violated in 0 structures by 0.00 A. Peak 6209 from nnoeabs.peaks (8.37, 8.24, 121.99 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 24 + H ARG 23 OK 100 100 100 100 2.4-3.6 6211=100, 424/2.9=59...(12) H LYS 26 - H ARG 23 far 10 100 10 - 4.5-9.8 H LYS 19 - H ARG 23 far 0 83 0 - 5.2-11.3 H GLN 27 - H ARG 23 far 0 85 0 - 5.5-11.8 H ASP 35 - H ARG 23 far 0 89 0 - 8.6-29.0 H GLY 14 - H ARG 23 far 0 100 0 - 9.5-17.9 H THR 65 - H ARG 23 far 0 97 0 - 9.6-24.7 Violated in 10 structures by 0.07 A. Peak 6210 from nnoeabs.peaks (8.37, 8.37, 122.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 24 + H LYS 24 OK 100 100 - 100 Peak 6211 from nnoeabs.peaks (8.24, 8.37, 122.93 ppm; 3.15 A): 1 out of 6 assignments used, quality = 0.99: * H ARG 23 + H LYS 24 OK 99 100 100 99 2.4-3.6 6209=90, 2.9/424=55...(12) H SER 33 - H LYS 24 far 0 95 0 - 5.8-21.2 H ALA 29 - H LYS 24 far 0 100 0 - 6.0-11.9 H LYS 31 - H LYS 24 far 0 96 0 - 6.2-15.2 H GLU 30 - H LYS 24 far 0 89 0 - 6.4-13.5 H SER 107 - H LYS 24 far 0 97 0 - 8.6-36.2 Violated in 13 structures by 0.14 A. Peak 6212 from nnoeabs.peaks (4.29, 8.37, 122.93 ppm; 2.52 A): 2 out of 15 assignments used, quality = 0.95: * HA ARG 23 + H LYS 24 OK 94 100 100 94 2.3-3.4 424=82, 2.9/6211=31...(10) HA LEU 22 + H LYS 24 OK 22 87 55 46 3.4-5.8 375/6211=28, 2.9/6216=7...(7) HA LYS 19 - H LYS 24 poor 17 85 20 - 1.8-12.9 HA ALA 21 - H LYS 24 far 0 100 0 - 4.2-7.9 HA THR 25 - H LYS 24 far 0 100 0 - 4.6-5.5 HA LYS 26 - H LYS 24 far 0 89 0 - 5.7-8.2 HA LYS 36 - H LYS 24 far 0 97 0 - 5.7-29.0 HA THR 18 - H LYS 24 far 0 99 0 - 5.8-12.6 HA ALA 108 - H LYS 24 far 0 98 0 - 6.0-39.2 HA LYS 31 - H LYS 24 far 0 98 0 - 6.1-17.9 HA ALA 109 - H LYS 24 far 0 98 0 - 6.6-41.5 HA ALA 15 - H LYS 24 far 0 100 0 - 7.8-18.6 HA ALA 110 - H LYS 24 far 0 100 0 - 8.2-42.9 HA ALA 16 - H LYS 24 far 0 97 0 - 8.3-17.0 HA GLN 61 - H LYS 24 far 0 100 0 - 8.7-24.1 Violated in 17 structures by 0.18 A. Peak 6213 from nnoeabs.peaks (1.75, 8.37, 122.93 ppm; 3.26 A): 2 out of 7 assignments used, quality = 1.00: HB2 LYS 24 + H LYS 24 OK 99 99 100 100 2.1-3.7 3.0/6219=65, 4.1=52...(22) * HB2 ARG 23 + H LYS 24 OK 98 100 100 98 3.1-4.7 3.0/424=58, 6203/6211=55...(10) HB2 LYS 19 - H LYS 24 far 15 100 15 - 3.7-14.2 HB2 LYS 26 - H LYS 24 far 10 100 10 - 4.2-9.5 HB2 LYS 31 - H LYS 24 far 0 96 0 - 5.4-18.0 HB2 LEU 48 - H LYS 24 far 0 68 0 - 8.5-27.3 HB2 LYS 39 - H LYS 24 far 0 99 0 - 9.5-30.0 Violated in 10 structures by 0.07 A. Peak 6214 from nnoeabs.peaks (1.82, 8.37, 122.93 ppm; 3.40 A): 2 out of 7 assignments used, quality = 1.00: HB3 LYS 24 + H LYS 24 OK 98 98 100 100 2.1-3.7 482/6219=71, 4.1=58...(20) * HB3 ARG 23 + H LYS 24 OK 98 100 100 98 4.0-4.6 3.0/424=62, 6204/6211=56...(9) HB3 LYS 19 - H LYS 24 poor 19 97 20 - 2.4-13.6 HB3 LYS 26 - H LYS 24 far 5 100 5 - 4.8-9.9 HB3 LYS 31 - H LYS 24 far 5 97 5 - 4.1-17.4 HB2 LYS 36 - H LYS 24 far 0 99 0 - 5.1-28.9 HB ILE 32 - H LYS 24 far 0 100 0 - 7.7-19.4 Violated in 2 structures by 0.01 A. Peak 6215 from nnoeabs.peaks (1.57, 8.37, 122.93 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 23 + H LYS 24 OK 100 100 100 100 4.0-4.8 4.6=82, 3.8/424=72...(9) HG13 ILE 37 - H LYS 24 far 0 93 0 - 9.0-25.6 Violated in 15 structures by 0.26 A. Peak 6216 from nnoeabs.peaks (1.63, 8.37, 122.93 ppm; 4.30 A): 3 out of 6 assignments used, quality = 0.99: * HG3 ARG 23 + H LYS 24 OK 95 100 95 100 4.6-5.9 4.6=82, 1.8/6215=77...(10) HB3 LEU 22 + H LYS 24 OK 77 98 95 83 3.8-5.8 4.6/6211=55...(5) HG LEU 22 + H LYS 24 OK 27 98 40 70 4.7-6.6 2.1/10733=35...(6) HD3 LYS 19 - H LYS 24 far 11 76 15 - 4.0-15.8 HD2 LYS 19 - H LYS 24 far 11 76 15 - 5.3-14.1 HB2 LEU 98 - H LYS 24 far 3 68 5 - 5.0-35.7 Violated in 8 structures by 0.04 A. Peak 6219 from nnoeabs.peaks (4.33, 8.37, 122.93 ppm; 2.52 A): 1 out of 1 assignment used, quality = 0.97: * HA LYS 24 + H LYS 24 OK 97 100 100 97 2.6-2.9 479=81, 6231/6228=30...(14) Violated in 20 structures by 0.29 A. Peak 6220 from nnoeabs.peaks (1.75, 8.37, 122.93 ppm; 3.09 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 24 + H LYS 24 OK 100 100 100 100 2.1-3.7 491/6219=59, 2.9/6222=46...(20) HB2 ARG 23 + H LYS 24 OK 71 99 75 96 3.1-4.7 3.0/424=53, 6203/6211=48...(9) HB2 LYS 19 - H LYS 24 far 15 100 15 - 3.7-14.2 HB2 LYS 26 - H LYS 24 far 10 100 10 - 4.2-9.5 HB2 LYS 31 - H LYS 24 far 0 100 0 - 5.4-18.0 HB2 LYS 39 - H LYS 24 far 0 93 0 - 9.5-30.0 Violated in 12 structures by 0.16 A. Peak 6221 from nnoeabs.peaks (1.81, 8.37, 122.93 ppm; 3.45 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 24 + H LYS 24 OK 100 100 100 100 2.1-3.7 482/6219=74, 4.1=61...(21) HB3 ARG 23 + H LYS 24 OK 96 98 100 98 4.0-4.6 3.0/424=64, 6204/6211=55...(9) HB3 LYS 19 - H LYS 24 poor 20 100 20 - 2.4-13.6 HB3 LYS 31 - H LYS 24 far 5 100 5 - 4.1-17.4 HB3 LYS 26 - H LYS 24 far 5 100 5 - 4.8-9.9 HB2 LYS 36 - H LYS 24 far 0 100 0 - 5.1-28.9 HB3 LEU 98 - H LYS 24 far 0 60 0 - 6.0-34.4 HB ILE 32 - H LYS 24 far 0 100 0 - 7.7-19.4 Violated in 1 structures by 0.00 A. Peak 6222 from nnoeabs.peaks (1.38, 8.37, 122.93 ppm; 3.25 A): 1 out of 15 assignments used, quality = 1.00: * HG2 LYS 24 + H LYS 24 OK 100 100 100 100 1.9-4.3 483/6219=63, 1.8/6223=60...(29) HG3 LYS 26 - H LYS 24 far 10 100 10 - 3.8-10.2 HG2 LYS 19 - H LYS 24 far 9 92 10 - 4.5-15.9 QB ALA 108 - H LYS 24 far 5 100 5 - 4.4-31.8 QB ALA 109 - H LYS 24 far 5 98 5 - 4.3-33.3 QB ALA 28 - H LYS 24 lone 1 100 30 4 2.6-12.4 6234/6228=2 HG3 LYS 31 - H LYS 24 far 0 97 0 - 4.9-16.5 QB ALA 29 - H LYS 24 far 0 100 0 - 5.2-12.3 QB ALA 15 - H LYS 24 far 0 100 0 - 5.3-14.4 HG2 LYS 36 - H LYS 24 far 0 100 0 - 7.1-26.7 QB ALA 110 - H LYS 24 far 0 100 0 - 7.3-36.3 QB ALA 12 - H LYS 24 far 0 83 0 - 7.7-15.7 QB ALA 16 - H LYS 24 far 0 71 0 - 7.8-14.7 HG3 LYS 95 - H LYS 24 far 0 99 0 - 8.3-35.3 HG2 LYS 95 - H LYS 24 far 0 99 0 - 9.5-35.3 Violated in 9 structures by 0.20 A. Peak 6223 from nnoeabs.peaks (1.45, 8.37, 122.93 ppm; 3.61 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 24 + H LYS 24 OK 100 100 100 100 1.8-4.1 1.8/6222=81, 484/6219=67...(29) HG2 LYS 26 - H LYS 24 far 14 95 15 - 3.3-10.6 HG3 LYS 19 - H LYS 24 far 5 100 5 - 4.5-15.4 HG2 LYS 31 - H LYS 24 far 5 100 5 - 4.6-17.3 HG3 LYS 36 - H LYS 24 far 0 81 0 - 5.9-27.2 HG13 ILE 32 - H LYS 24 far 0 99 0 - 6.0-17.3 QB ALA 34 - H LYS 24 far 0 65 0 - 6.8-22.4 Violated in 10 structures by 0.13 A. Peak 6228 from nnoeabs.peaks (8.10, 8.37, 122.93 ppm; 3.19 A): 1 out of 3 assignments used, quality = 0.97: * H THR 25 + H LYS 24 OK 97 100 100 97 1.9-4.3 6231/6219=60, 6230=50...(12) H ALA 109 - H LYS 24 far 0 83 0 - 7.8-38.6 H ALA 108 - H LYS 24 far 0 78 0 - 8.0-37.8 Violated in 3 structures by 0.07 A. Peak 6229 from nnoeabs.peaks (8.10, 8.10, 115.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 25 + H THR 25 OK 100 100 - 100 Peak 6230 from nnoeabs.peaks (8.37, 8.10, 115.50 ppm; 3.00 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 24 + H THR 25 OK 98 100 100 98 1.9-4.3 6228=84, 6219/6231=54...(12) H LYS 26 + H THR 25 OK 89 100 90 99 1.6-4.6 6245=87, 582/3.0=54...(10) H GLN 27 - H THR 25 poor 11 85 25 52 3.0-7.5 4.6/6245=24...(8) H LYS 19 - H THR 25 far 0 83 0 - 5.5-16.1 H ASP 35 - H THR 25 far 0 89 0 - 5.9-23.5 H THR 65 - H THR 25 far 0 97 0 - 7.2-21.3 H GLY 14 - H THR 25 far 0 100 0 - 9.5-23.2 Violated in 4 structures by 0.02 A. Peak 6231 from nnoeabs.peaks (4.33, 8.10, 115.50 ppm; 3.04 A): 1 out of 2 assignments used, quality = 0.98: * HA LYS 24 + H THR 25 OK 98 100 100 98 2.8-3.6 489=72, 6219/6228=52...(16) HA ASP 47 - H THR 25 far 0 99 0 - 9.0-27.6 Violated in 18 structures by 0.41 A. Peak 6232 from nnoeabs.peaks (1.75, 8.10, 115.50 ppm; 3.47 A): 1 out of 6 assignments used, quality = 0.99: * HB2 LYS 24 + H THR 25 OK 99 100 100 99 1.6-4.5 1.8/6233=65, 491/6231=63...(26) HB2 ARG 23 - H THR 25 poor 16 99 25 64 3.7-7.1 4.2/6228=40, 3.0/6240=19...(6) HB2 LYS 26 - H THR 25 far 15 100 15 - 3.5-7.2 HB2 LYS 19 - H THR 25 far 10 100 10 - 3.1-16.5 HB2 LYS 31 - H THR 25 far 10 100 10 - 3.6-15.3 HB2 LEU 43 - H THR 25 far 0 83 0 - 9.7-28.8 Violated in 11 structures by 0.32 A. Peak 6233 from nnoeabs.peaks (1.81, 8.10, 115.50 ppm; 3.26 A): 1 out of 8 assignments used, quality = 0.98: * HB3 LYS 24 + H THR 25 OK 98 100 100 98 1.9-4.5 482/6231=58, 1.8/6232=55...(25) HB3 ARG 23 - H THR 25 poor 18 98 35 53 3.5-7.6 4.2/6228=34, 3.0/6240=17...(5) HB3 LYS 19 - H THR 25 far 15 100 15 - 2.3-15.8 HB3 LYS 26 - H THR 25 far 15 100 15 - 4.4-7.5 HB3 LYS 31 - H THR 25 far 10 100 10 - 4.3-14.4 HB ILE 32 - H THR 25 far 0 100 0 - 5.8-17.3 HB2 LYS 36 - H THR 25 far 0 100 0 - 5.8-26.9 HB3 LEU 98 - H THR 25 far 0 60 0 - 6.4-31.6 Violated in 12 structures by 0.37 A. Peak 6234 from nnoeabs.peaks (1.38, 8.10, 115.50 ppm; 3.45 A): 2 out of 15 assignments used, quality = 0.96: * HG2 LYS 24 + H THR 25 OK 94 100 95 99 1.8-5.8 483/6231=60...(32) HG3 LYS 26 + H THR 25 OK 30 100 35 85 2.7-8.3 6253/6245=43...(20) HG3 LYS 31 - H THR 25 far 10 97 10 - 3.5-14.0 QB ALA 28 - H THR 25 lone 7 100 35 20 3.0-10.1 6253/6245=6, 11150/3.0=6...(5) QB ALA 29 - H THR 25 far 5 100 5 - 4.9-10.1 HG2 LYS 19 - H THR 25 far 0 92 0 - 5.0-18.2 QB ALA 109 - H THR 25 far 0 98 0 - 5.3-31.0 QB ALA 15 - H THR 25 far 0 100 0 - 5.7-16.6 QB ALA 108 - H THR 25 far 0 100 0 - 5.8-29.4 QB ALA 12 - H THR 25 far 0 83 0 - 6.3-16.4 QB ALA 16 - H THR 25 far 0 71 0 - 7.3-16.6 HG2 LYS 36 - H THR 25 far 0 100 0 - 7.5-24.6 QB ALA 110 - H THR 25 far 0 100 0 - 7.8-34.0 HG3 LYS 95 - H THR 25 far 0 99 0 - 8.0-32.5 HG2 LYS 95 - H THR 25 far 0 99 0 - 9.5-32.5 Violated in 10 structures by 0.21 A. Peak 6235 from nnoeabs.peaks (1.45, 8.10, 115.50 ppm; 5.15 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 24 + H THR 25 OK 100 100 100 100 2.3-5.1 484/6231=94...(49) HG2 LYS 26 + H THR 25 OK 42 95 45 99 3.5-8.8 6252/6245=79, 1.8/522=36...(39) HG3 LYS 19 - H THR 25 far 10 100 10 - 4.0-17.8 HG13 ILE 32 - H THR 25 far 5 99 5 - 5.3-15.3 HG3 LYS 36 - H THR 25 far 4 81 5 - 6.4-25.2 HG2 LYS 31 - H THR 25 lone 2 100 30 7 3.6-14.7 523/6245=4 QB ALA 34 - H THR 25 far 0 65 0 - 7.5-19.9 Violated in 0 structures by 0.00 A. Peak 6236 from nnoeabs.peaks (1.66, 8.10, 115.50 ppm; 5.16 A): 4 out of 11 assignments used, quality = 1.00: * HD2 LYS 24 + H THR 25 OK 100 100 100 100 2.2-5.7 3.5/6233=75, 3.5/6232=75...(58) HD3 LYS 24 + H THR 25 OK 95 100 95 100 1.9-6.7 3.5/6233=75, 3.5/6232=75...(58) HD2 LYS 26 + H THR 25 OK 64 100 65 98 4.6-9.4 5.7/6245=57, 2.9/522=31...(51) HD3 LYS 26 + H THR 25 OK 44 100 45 98 5.6-8.4 5.7/6245=57, 2.9/522=31...(54) HD3 LYS 19 - H THR 25 poor 19 96 20 - 4.0-18.2 HD2 LYS 31 - H THR 25 far 15 100 15 - 5.3-14.3 HD2 LYS 19 - H THR 25 far 14 96 15 - 4.6-16.4 HD3 LYS 31 - H THR 25 far 10 100 10 - 5.9-15.7 HB2 LEU 98 - H THR 25 far 5 98 5 - 4.9-32.9 HD2 LYS 36 - H THR 25 far 5 98 5 - 5.4-22.7 HD3 LYS 36 - H THR 25 far 0 98 0 - 6.9-23.4 Violated in 0 structures by 0.00 A. Peak 6237 from nnoeabs.peaks (1.66, 8.10, 115.50 ppm; 5.16 A): 4 out of 11 assignments used, quality = 1.00: HD2 LYS 24 + H THR 25 OK 100 100 100 100 2.2-5.7 3.5/6233=75, 3.5/6232=75...(58) * HD3 LYS 24 + H THR 25 OK 95 100 95 100 1.9-6.7 3.5/6233=75, 3.5/6232=75...(58) HD2 LYS 26 + H THR 25 OK 64 100 65 98 4.6-9.4 5.7/6245=57, 2.9/522=31...(51) HD3 LYS 26 + H THR 25 OK 44 100 45 98 5.6-8.4 5.7/6245=57, 2.9/522=31...(54) HD3 LYS 19 - H THR 25 poor 19 97 20 - 4.0-18.2 HD2 LYS 31 - H THR 25 far 15 100 15 - 5.3-14.3 HD2 LYS 19 - H THR 25 far 14 97 15 - 4.6-16.4 HD3 LYS 31 - H THR 25 far 10 100 10 - 5.9-15.7 HB2 LEU 98 - H THR 25 far 5 99 5 - 4.9-32.9 HD2 LYS 36 - H THR 25 far 5 97 5 - 5.4-22.7 HD3 LYS 36 - H THR 25 far 0 97 0 - 6.9-23.4 Violated in 0 structures by 0.00 A. Peak 6240 from nnoeabs.peaks (4.29, 8.10, 115.50 ppm; 3.04 A): 2 out of 15 assignments used, quality = 1.00: * HA THR 25 + H THR 25 OK 100 100 100 100 2.3-2.9 3.0=100 HA ARG 23 + H THR 25 OK 46 100 80 58 2.9-6.7 424/6228=47, 3.0/6233=7...(8) HA LYS 26 - H THR 25 far 12 78 15 - 4.4-5.9 HA LEU 22 - H THR 25 far 8 76 10 - 4.1-7.8 HA LYS 19 - H THR 25 far 7 73 10 - 4.1-15.3 HA ALA 21 - H THR 25 far 5 100 5 - 3.6-10.6 HA GLN 61 - H THR 25 far 0 97 0 - 5.7-24.2 HA ALA 108 - H THR 25 far 0 93 0 - 6.0-36.4 HA LYS 31 - H THR 25 far 0 93 0 - 6.1-15.2 HA LYS 36 - H THR 25 far 0 90 0 - 6.9-26.9 HA THR 18 - H THR 25 far 0 100 0 - 7.5-15.6 HA ALA 109 - H THR 25 far 0 93 0 - 7.5-38.7 HA ALA 15 - H THR 25 far 0 99 0 - 8.0-21.1 HA ALA 16 - H THR 25 far 0 92 0 - 8.7-19.4 HA ALA 12 - H THR 25 far 0 99 0 - 9.0-21.6 Violated in 0 structures by 0.00 A. Peak 6241 from nnoeabs.peaks (4.20, 8.10, 115.50 ppm; 2.99 A): 1 out of 8 assignments used, quality = 0.99: * HB THR 25 + H THR 25 OK 99 100 100 99 2.2-3.9 583=87, 2.1/6242=63...(10) HA ALA 29 - H THR 25 far 0 65 0 - 4.9-11.0 HB THR 18 - H THR 25 far 0 99 0 - 5.4-17.8 HA SER 51 - H THR 25 far 0 92 0 - 6.5-29.2 HA VAL 105 - H THR 25 far 0 97 0 - 7.2-33.6 HB3 SER 38 - H THR 25 far 0 81 0 - 7.7-27.1 HA GLU 30 - H THR 25 far 0 73 0 - 8.0-13.6 HA ALA 34 - H THR 25 far 0 76 0 - 9.1-22.1 Violated in 15 structures by 0.48 A. Peak 6242 from nnoeabs.peaks (1.19, 8.10, 115.50 ppm; 2.92 A): 1 out of 4 assignments used, quality = 0.95: * QG2 THR 25 + H THR 25 OK 95 100 100 95 1.9-3.9 2.1/6241=59, 588=42...(10) HG12 ILE 32 - H THR 25 far 0 71 0 - 5.0-14.8 QB ALA 41 - H THR 25 far 0 89 0 - 5.0-21.3 QG2 THR 18 - H THR 25 far 0 90 0 - 5.2-14.4 Violated in 15 structures by 0.24 A. Peak 6243 from nnoeabs.peaks (8.37, 8.10, 115.50 ppm; 3.00 A): 2 out of 7 assignments used, quality = 1.00: H LYS 24 + H THR 25 OK 98 100 100 98 1.9-4.3 6228=84, 6219/6231=54...(12) * H LYS 26 + H THR 25 OK 89 100 90 99 1.6-4.6 6245=87, 582/3.0=54...(10) H GLN 27 - H THR 25 poor 11 87 25 53 3.0-7.5 4.6/6245=24...(8) H LYS 19 - H THR 25 far 0 81 0 - 5.5-16.1 H ASP 35 - H THR 25 far 0 90 0 - 5.9-23.5 H THR 65 - H THR 25 far 0 97 0 - 7.2-21.3 H GLY 14 - H THR 25 far 0 100 0 - 9.5-23.2 Violated in 4 structures by 0.02 A. Peak 6244 from nnoeabs.peaks (8.37, 8.37, 123.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 26 + H LYS 26 OK 100 100 - 100 Peak 6245 from nnoeabs.peaks (8.10, 8.37, 123.67 ppm; 3.15 A): 1 out of 4 assignments used, quality = 0.96: * H THR 25 + H LYS 26 OK 96 100 100 96 1.6-4.6 3.0/582=59, 6241/6247=49...(13) H ALA 109 - H LYS 26 far 0 83 0 - 7.2-31.9 H ALA 108 - H LYS 26 far 0 78 0 - 7.5-31.0 H LEU 103 - H LYS 26 far 0 81 0 - 8.7-27.4 Violated in 12 structures by 0.76 A. Peak 6246 from nnoeabs.peaks (4.29, 8.37, 123.67 ppm; 2.50 A): 2 out of 16 assignments used, quality = 0.99: * HA THR 25 + H LYS 26 OK 97 100 100 97 2.2-3.6 582=89, 3.0/6245=31...(12) HA LYS 26 + H LYS 26 OK 71 78 100 91 2.7-2.9 2.9=62, 3.0/6250=35...(11) HA ARG 23 - H LYS 26 lone 6 100 30 19 3.0-8.7 6240/6245=9, 424=5...(4) HA LYS 19 - H LYS 26 far 0 73 0 - 4.6-19.5 HA GLN 61 - H LYS 26 far 0 97 0 - 4.6-24.1 HA LYS 31 - H LYS 26 far 0 93 0 - 5.4-14.2 HA ALA 108 - H LYS 26 far 0 93 0 - 5.5-32.4 HA LEU 22 - H LYS 26 far 0 76 0 - 6.2-11.3 HA LYS 36 - H LYS 26 far 0 90 0 - 6.3-26.1 HA ALA 21 - H LYS 26 far 0 100 0 - 6.5-13.7 HA ALA 15 - H LYS 26 far 0 99 0 - 7.1-24.3 HA ALA 109 - H LYS 26 far 0 93 0 - 7.8-34.7 HA THR 18 - H LYS 26 far 0 100 0 - 8.3-19.0 HA ALA 110 - H LYS 26 far 0 99 0 - 8.9-36.1 HA ALA 12 - H LYS 26 far 0 99 0 - 9.7-25.2 HA ALA 16 - H LYS 26 far 0 92 0 - 9.7-23.2 Violated in 10 structures by 0.08 A. Peak 6247 from nnoeabs.peaks (4.20, 8.37, 123.67 ppm; 3.14 A): 1 out of 8 assignments used, quality = 0.97: * HB THR 25 + H LYS 26 OK 97 100 100 97 1.8-3.9 3.0/582=57, 2.1/6248=56...(14) HA ALA 29 - H LYS 26 far 7 65 10 - 3.0-9.8 HA VAL 105 - H LYS 26 far 0 97 0 - 4.8-29.3 HA SER 51 - H LYS 26 far 0 92 0 - 6.1-27.4 HA GLU 30 - H LYS 26 far 0 73 0 - 6.1-12.5 HB THR 18 - H LYS 26 far 0 99 0 - 8.4-21.6 HA ALA 34 - H LYS 26 far 0 76 0 - 8.9-20.5 HB3 SER 38 - H LYS 26 far 0 81 0 - 9.0-26.6 Violated in 7 structures by 0.12 A. Peak 6248 from nnoeabs.peaks (1.19, 8.37, 123.67 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.99: * QG2 THR 25 + H LYS 26 OK 99 100 100 99 2.7-4.1 2.1/6247=73, 3.2/582=63...(12) HG12 ILE 32 - H LYS 26 far 11 71 15 - 2.6-13.8 QB ALA 41 - H LYS 26 far 4 89 5 - 4.8-20.9 QG2 THR 18 - H LYS 26 far 0 90 0 - 6.6-17.7 Violated in 10 structures by 0.09 A. Peak 6249 from nnoeabs.peaks (4.27, 8.37, 123.67 ppm; 2.51 A): 2 out of 17 assignments used, quality = 0.97: * HA LYS 26 + H LYS 26 OK 92 100 100 92 2.7-2.9 2.9=62, 3.0/6250=36...(11) HA THR 25 + H LYS 26 OK 69 78 100 89 2.2-3.6 582=61, 3.0/6245=31...(11) HA ARG 23 - H LYS 26 lone 4 89 30 15 3.0-8.7 6240/6245=6, 424=4...(4) HA GLN 27 - H LYS 26 far 0 71 0 - 4.4-5.6 HA LYS 19 - H LYS 26 far 0 100 0 - 4.6-19.5 HA GLN 61 - H LYS 26 far 0 96 0 - 4.6-24.1 HA LYS 31 - H LYS 26 far 0 99 0 - 5.4-14.2 HA ALA 108 - H LYS 26 far 0 99 0 - 5.5-32.4 HA LEU 22 - H LYS 26 far 0 100 0 - 6.2-11.3 HA LYS 36 - H LYS 26 far 0 99 0 - 6.3-26.1 HA ALA 21 - H LYS 26 far 0 81 0 - 6.5-13.7 HA ALA 15 - H LYS 26 far 0 90 0 - 7.1-24.3 HA ALA 109 - H LYS 26 far 0 99 0 - 7.8-34.7 HA THR 18 - H LYS 26 far 0 76 0 - 8.3-19.0 HA ALA 110 - H LYS 26 far 0 92 0 - 8.9-36.1 HA ALA 12 - H LYS 26 far 0 90 0 - 9.7-25.2 HA ALA 16 - H LYS 26 far 0 99 0 - 9.7-23.2 Violated in 10 structures by 0.08 A. Peak 6250 from nnoeabs.peaks (1.75, 8.37, 123.67 ppm; 2.70 A): 1 out of 6 assignments used, quality = 0.96: * HB2 LYS 26 + H LYS 26 OK 96 100 100 96 2.1-3.6 1.8/6251=56, 3.0/6252=30...(31) HB2 LYS 31 - H LYS 26 poor 20 99 20 - 2.5-13.9 HB2 LYS 19 - H LYS 26 far 5 100 5 - 2.7-20.8 HB2 LYS 24 - H LYS 26 far 5 100 5 - 3.6-7.8 HB2 ARG 23 - H LYS 26 far 5 100 5 - 2.9-9.6 HB2 LEU 43 - H LYS 26 far 0 76 0 - 9.9-27.6 Violated in 12 structures by 0.24 A. Peak 6251 from nnoeabs.peaks (1.82, 8.37, 123.67 ppm; 2.98 A): 1 out of 7 assignments used, quality = 0.99: * HB3 LYS 26 + H LYS 26 OK 99 100 100 99 2.3-3.9 1.8/6250=75, 4.0=40...(31) HB3 ARG 23 - H LYS 26 far 10 100 10 - 3.4-10.1 HB3 LYS 24 - H LYS 26 far 10 100 10 - 4.4-8.0 HB3 LYS 31 - H LYS 26 far 10 99 10 - 3.7-14.5 HB3 LYS 19 - H LYS 26 far 5 99 5 - 3.0-20.1 HB ILE 32 - H LYS 26 far 0 100 0 - 5.3-16.3 HB2 LYS 36 - H LYS 26 far 0 100 0 - 6.2-26.0 Violated in 17 structures by 0.44 A. Peak 6252 from nnoeabs.peaks (1.43, 8.37, 123.67 ppm; 3.61 A): 1 out of 7 assignments used, quality = 1.00: * HG2 LYS 26 + H LYS 26 OK 100 100 100 100 2.2-4.5 3.0/6250=72, 3.0/6251=67...(54) HG13 ILE 32 - H LYS 26 poor 20 99 20 - 3.0-14.4 HG2 LYS 31 - H LYS 26 far 15 98 15 - 3.2-15.2 HG3 LYS 24 - H LYS 26 far 9 95 10 - 3.6-8.8 HG3 LYS 19 - H LYS 26 far 5 97 5 - 4.5-22.1 QB ALA 16 - H LYS 26 far 0 63 0 - 7.1-19.7 QB ALA 34 - H LYS 26 far 0 93 0 - 7.4-17.5 Violated in 11 structures by 0.19 A. Peak 6253 from nnoeabs.peaks (1.38, 8.37, 123.67 ppm; 3.55 A): 1 out of 14 assignments used, quality = 1.00: * HG3 LYS 26 + H LYS 26 OK 100 100 100 100 1.7-4.7 1.8/6252=71, 3.0/6250=70...(49) HG2 LYS 24 - H LYS 26 far 15 100 15 - 1.9-8.6 QB ALA 28 - H LYS 26 poor 14 100 35 41 3.9-6.7 6265/4.6=16, 6304/6295=9...(9) QB ALA 29 - H LYS 26 far 10 100 10 - 4.4-9.0 HG3 LYS 31 - H LYS 26 far 10 98 10 - 4.5-14.1 HG2 LYS 19 - H LYS 26 far 0 89 0 - 5.3-22.5 QB ALA 110 - H LYS 26 far 0 100 0 - 5.6-30.7 QB ALA 109 - H LYS 26 far 0 99 0 - 6.0-27.8 QB ALA 108 - H LYS 26 far 0 100 0 - 6.3-26.2 QB ALA 12 - H LYS 26 far 0 78 0 - 6.7-19.6 QB ALA 16 - H LYS 26 far 0 76 0 - 7.1-19.7 QB ALA 15 - H LYS 26 far 0 100 0 - 7.3-19.4 HG2 LYS 36 - H LYS 26 far 0 100 0 - 8.5-23.7 HG3 LYS 95 - H LYS 26 far 0 100 0 - 9.1-29.1 Violated in 6 structures by 0.21 A. Peak 6254 from nnoeabs.peaks (1.66, 8.37, 123.67 ppm; 4.69 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 26 + H LYS 26 OK 100 100 100 100 2.3-5.7 3.5/6250=89, 3.5/6251=85...(74) HD3 LYS 26 + H LYS 26 OK 100 100 100 100 3.5-5.4 3.5/6250=89, 3.5/6251=85...(74) HD2 LYS 24 - H LYS 26 poor 18 100 35 51 3.6-10.0 544/6245=24...(8) HD3 LYS 24 - H LYS 26 poor 16 100 30 53 3.0-10.1 544/6245=22...(8) HD2 LYS 31 - H LYS 26 far 10 100 10 - 5.1-14.0 HD3 LYS 31 - H LYS 26 far 10 100 10 - 5.2-13.7 HB2 LEU 98 - H LYS 26 far 5 99 5 - 5.5-29.5 HD3 LYS 19 - H LYS 26 far 5 97 5 - 5.0-22.4 HD2 LYS 19 - H LYS 26 far 5 97 5 - 5.4-20.7 HD2 LYS 36 - H LYS 26 far 0 97 0 - 6.3-21.8 HD3 LYS 36 - H LYS 26 far 0 97 0 - 7.4-22.6 Violated in 0 structures by 0.00 A. Peak 6255 from nnoeabs.peaks (1.66, 8.37, 123.67 ppm; 4.69 A): 2 out of 11 assignments used, quality = 1.00: * HD3 LYS 26 + H LYS 26 OK 100 100 100 100 3.5-5.4 3.5/6250=89, 3.5/6251=85...(74) HD2 LYS 26 + H LYS 26 OK 100 100 100 100 2.3-5.7 3.5/6250=89, 3.5/6251=85...(74) HD2 LYS 24 - H LYS 26 poor 18 100 35 51 3.6-10.0 555/6245=24...(8) HD3 LYS 24 - H LYS 26 poor 16 100 30 54 3.0-10.1 555/6245=22...(8) HD3 LYS 31 - H LYS 26 far 10 100 10 - 5.2-13.7 HD2 LYS 31 - H LYS 26 far 10 100 10 - 5.1-14.0 HB2 LEU 98 - H LYS 26 far 5 99 5 - 5.5-29.5 HD3 LYS 19 - H LYS 26 far 5 98 5 - 5.0-22.4 HD2 LYS 19 - H LYS 26 far 5 98 5 - 5.4-20.7 HD2 LYS 36 - H LYS 26 far 0 96 0 - 6.3-21.8 HD3 LYS 36 - H LYS 26 far 0 96 0 - 7.4-22.6 Violated in 0 structures by 0.00 A. Peak 6258 from nnoeabs.peaks (8.39, 8.37, 123.67 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: H LYS 26 + H LYS 26 OK 87 87 - 100 Reference assignment not found: H GLN 27 - H LYS 26 Peak 6259 from nnoeabs.peaks (8.39, 8.39, 121.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 27 + H GLN 27 OK 100 100 - 100 Peak 6260 from nnoeabs.peaks (8.37, 8.39, 121.72 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: H GLN 27 + H GLN 27 OK 87 87 - 100 Reference assignment not found: H LYS 26 - H GLN 27 Peak 6261 from nnoeabs.peaks (4.27, 8.39, 121.72 ppm; 2.68 A): 2 out of 15 assignments used, quality = 0.95: * HA LYS 26 + H GLN 27 OK 85 100 100 85 3.2-3.6 3.6=42, 3.0/6262=33...(14) HA GLN 27 + H GLN 27 OK 67 71 100 95 2.5-2.9 3.0=75, 3.0/6271=42...(10) HA ARG 23 - H GLN 27 far 13 89 15 - 3.2-9.3 HA THR 25 - H GLN 27 far 8 78 10 - 3.7-6.0 HA ALA 108 - H GLN 27 far 0 99 0 - 5.0-31.0 HA LYS 36 - H GLN 27 far 0 99 0 - 5.1-24.1 HA GLN 61 - H GLN 27 far 0 96 0 - 5.3-21.7 HA ALA 21 - H GLN 27 far 0 81 0 - 5.6-15.0 HA LYS 31 - H GLN 27 far 0 99 0 - 6.0-12.9 HA LEU 22 - H GLN 27 far 0 100 0 - 6.3-13.8 HA LYS 19 - H GLN 27 far 0 100 0 - 7.1-20.8 HA ALA 109 - H GLN 27 far 0 99 0 - 7.2-33.1 HA ALA 110 - H GLN 27 far 0 92 0 - 8.1-34.3 HA ALA 15 - H GLN 27 far 0 90 0 - 8.8-24.5 HA THR 18 - H GLN 27 far 0 76 0 - 9.5-20.8 Violated in 12 structures by 0.07 A. Peak 6262 from nnoeabs.peaks (1.75, 8.39, 121.72 ppm; 3.26 A): 1 out of 7 assignments used, quality = 0.97: * HB2 LYS 26 + H GLN 27 OK 97 100 100 97 1.7-4.6 1.8/6263=69, 4.5=39...(17) HB2 ARG 23 - H GLN 27 far 15 100 15 - 3.5-11.0 HB2 LYS 31 - H GLN 27 far 15 99 15 - 4.5-12.1 HB2 LYS 24 - H GLN 27 far 5 100 5 - 2.7-10.1 HB2 LYS 19 - H GLN 27 far 0 100 0 - 5.4-21.7 HG LEU 100 - H GLN 27 far 0 65 0 - 7.6-20.6 HB2 LEU 43 - H GLN 27 far 0 76 0 - 7.9-25.4 Violated in 3 structures by 0.12 A. Peak 6263 from nnoeabs.peaks (1.82, 8.39, 121.72 ppm; 3.26 A): 1 out of 9 assignments used, quality = 0.97: * HB3 LYS 26 + H GLN 27 OK 97 100 100 97 1.9-4.2 1.8/6262=70, 4.5=39...(16) HB3 LYS 31 - H GLN 27 far 15 99 15 - 3.4-13.1 HB3 LYS 24 - H GLN 27 far 5 100 5 - 3.5-11.0 HB3 ARG 23 - H GLN 27 lone 1 100 25 6 3.1-11.0 442/4.6=3 HB3 LYS 19 - H GLN 27 far 0 99 0 - 5.7-21.2 HB2 LYS 36 - H GLN 27 far 0 100 0 - 5.7-23.8 HB ILE 32 - H GLN 27 far 0 100 0 - 5.9-14.2 HB3 LEU 103 - H GLN 27 far 0 68 0 - 8.0-23.8 HB2 LEU 100 - H GLN 27 far 0 100 0 - 8.7-21.0 Violated in 11 structures by 0.20 A. Peak 6264 from nnoeabs.peaks (1.43, 8.39, 121.72 ppm; 4.75 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 26 + H GLN 27 OK 100 100 100 100 2.3-4.5 3.0/6262=90, 3.0/6263=88...(26) HG13 ILE 32 + H GLN 27 OK 32 99 55 59 3.8-12.1 1.8/10758=15...(12) HG2 LYS 31 - H GLN 27 poor 20 98 20 - 5.4-13.4 HG3 LYS 24 - H GLN 27 far 9 95 10 - 4.2-11.5 HG3 LYS 19 - H GLN 27 far 0 97 0 - 7.2-23.2 QB ALA 34 - H GLN 27 far 0 93 0 - 8.9-16.3 QB ALA 16 - H GLN 27 far 0 63 0 - 9.3-19.7 Violated in 0 structures by 0.00 A. Peak 6265 from nnoeabs.peaks (1.38, 8.39, 121.72 ppm; 3.63 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 26 + H GLN 27 OK 99 100 100 99 2.1-4.5 3.0/6262=62, 3.0/6263=61...(26) QB ALA 28 + H GLN 27 OK 90 100 100 90 3.7-4.9 6304/4.6=42...(12) HG2 LYS 24 - H GLN 27 far 5 100 5 - 3.2-11.1 QB ALA 108 - H GLN 27 far 5 100 5 - 4.5-25.0 QB ALA 29 - H GLN 27 far 5 100 5 - 5.1-7.0 QB ALA 110 - H GLN 27 far 5 100 5 - 5.1-29.1 HG3 LYS 31 - H GLN 27 far 0 98 0 - 5.2-12.2 QB ALA 109 - H GLN 27 far 0 99 0 - 6.7-26.7 HG2 LYS 36 - H GLN 27 far 0 100 0 - 7.6-21.6 HG2 LYS 19 - H GLN 27 far 0 89 0 - 8.1-23.6 QB ALA 12 - H GLN 27 far 0 78 0 - 8.4-20.3 QB ALA 15 - H GLN 27 far 0 100 0 - 8.6-19.7 QB ALA 16 - H GLN 27 far 0 76 0 - 9.3-19.7 HG3 LYS 95 - H GLN 27 far 0 100 0 - 9.3-28.4 HB3 LEU 100 - H GLN 27 far 0 100 0 - 9.5-20.5 Violated in 6 structures by 0.07 A. Peak 6266 from nnoeabs.peaks (1.66, 8.39, 121.72 ppm; 5.28 A): 2 out of 13 assignments used, quality = 1.00: * HD2 LYS 26 + H GLN 27 OK 100 100 100 100 2.0-6.3 3.5/6262=92, 3.5/6263=90...(22) HD3 LYS 26 + H GLN 27 OK 100 100 100 100 3.5-5.7 3.5/6262=92, 3.5/6263=90...(21) HD3 LYS 24 - H GLN 27 far 15 100 15 - 1.8-12.6 HD2 LYS 31 - H GLN 27 poor 11 100 30 38 5.5-12.0 10771/4.6=27, 650/6262=3...(5) HD2 LYS 24 - H GLN 27 far 10 100 10 - 3.3-12.1 HD3 LYS 31 - H GLN 27 far 10 100 10 - 4.9-12.0 HB2 LEU 98 - H GLN 27 far 5 99 5 - 4.7-28.3 HD3 LYS 36 - H GLN 27 far 5 97 5 - 6.2-20.4 HD2 LYS 36 - H GLN 27 far 0 97 0 - 7.6-19.6 HD3 LYS 19 - H GLN 27 far 0 97 0 - 7.6-23.8 HD2 LYS 19 - H GLN 27 far 0 97 0 - 7.9-22.1 HG LEU 43 - H GLN 27 far 0 89 0 - 9.6-25.4 HG LEU 62 - H GLN 27 far 0 96 0 - 9.9-22.0 Violated in 0 structures by 0.00 A. Peak 6267 from nnoeabs.peaks (1.66, 8.39, 121.72 ppm; 5.28 A): 2 out of 13 assignments used, quality = 1.00: * HD3 LYS 26 + H GLN 27 OK 100 100 100 100 3.5-5.7 3.5/6262=92, 3.5/6263=90...(21) HD2 LYS 26 + H GLN 27 OK 100 100 100 100 2.0-6.3 3.5/6262=92, 3.5/6263=90...(22) HD3 LYS 24 - H GLN 27 far 15 100 15 - 1.8-12.6 HD2 LYS 31 - H GLN 27 poor 11 100 30 37 5.5-12.0 10771/4.6=26, 856/6262=3...(5) HD2 LYS 24 - H GLN 27 far 10 100 10 - 3.3-12.1 HD3 LYS 31 - H GLN 27 far 10 100 10 - 4.9-12.0 HB2 LEU 98 - H GLN 27 far 5 99 5 - 4.7-28.3 HD3 LYS 36 - H GLN 27 far 5 96 5 - 6.2-20.4 HD2 LYS 36 - H GLN 27 far 0 96 0 - 7.6-19.6 HD3 LYS 19 - H GLN 27 far 0 98 0 - 7.6-23.8 HD2 LYS 19 - H GLN 27 far 0 98 0 - 7.9-22.1 HG LEU 43 - H GLN 27 far 0 92 0 - 9.6-25.4 HG LEU 62 - H GLN 27 far 0 97 0 - 9.9-22.0 Violated in 0 structures by 0.00 A. Peak 6270 from nnoeabs.peaks (4.24, 8.39, 121.72 ppm; 2.50 A): 2 out of 12 assignments used, quality = 0.95: * HA GLN 27 + H GLN 27 OK 90 100 100 90 2.5-2.9 3.0=61, 3.0/6271=36...(10) HA LYS 26 + H GLN 27 OK 54 71 100 77 3.2-3.6 3.6=34, 3.0/6262=29...(10) HA ALA 28 - H GLN 27 far 0 99 0 - 4.2-5.9 HA ALA 29 - H GLN 27 far 0 92 0 - 4.2-7.5 HA GLU 30 - H GLN 27 far 0 87 0 - 6.2-10.9 HA LEU 22 - H GLN 27 far 0 73 0 - 6.3-13.8 HA LYS 19 - H GLN 27 far 0 76 0 - 7.1-20.8 HA SER 94 - H GLN 27 far 0 97 0 - 7.3-27.9 HA SER 51 - H GLN 27 far 0 65 0 - 8.3-28.8 HA HIS 67 - H GLN 27 far 0 68 0 - 8.8-18.1 HB3 SER 38 - H GLN 27 far 0 81 0 - 9.3-24.7 HA SER 99 - H GLN 27 far 0 68 0 - 9.5-26.1 Violated in 19 structures by 0.21 A. Peak 6271 from nnoeabs.peaks (1.96, 8.39, 121.72 ppm; 2.66 A): 1 out of 4 assignments used, quality = 0.94: * HB2 GLN 27 + H GLN 27 OK 94 100 100 94 2.5-3.6 701=59, 1.8/6272=53...(17) HB2 GLU 30 - H GLN 27 far 0 98 0 - 5.1-10.6 HB2 PRO 58 - H GLN 27 far 0 90 0 - 8.8-23.2 HG LEU 53 - H GLN 27 far 0 60 0 - 9.1-26.1 Violated in 18 structures by 0.23 A. Peak 6272 from nnoeabs.peaks (2.06, 8.39, 121.72 ppm; 3.01 A): 1 out of 8 assignments used, quality = 0.99: * HB3 GLN 27 + H GLN 27 OK 99 100 100 99 2.5-4.0 1.8/6271=78, 710=73...(16) HB3 GLU 44 - H GLN 27 far 0 89 0 - 4.8-25.3 HG3 PRO 58 - H GLN 27 far 0 97 0 - 7.3-23.8 HB2 GLU 102 - H GLN 27 far 0 81 0 - 7.9-28.7 QE MET 11 - H GLN 27 far 0 83 0 - 8.7-23.3 HB2 LEU 62 - H GLN 27 far 0 100 0 - 9.1-22.0 HB3 GLU 40 - H GLN 27 far 0 71 0 - 9.5-27.9 HB VAL 57 - H GLN 27 far 0 60 0 - 10.0-24.3 Violated in 19 structures by 0.62 A. Peak 6273 from nnoeabs.peaks (2.35, 8.39, 121.72 ppm; 3.38 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 27 + H GLN 27 OK 99 100 100 99 1.7-4.2 3.0/6271=66, 3.0/6272=59...(19) HG3 GLN 27 + H GLN 27 OK 98 99 100 99 1.7-2.9 3.0/6271=66, 3.0/6272=59...(19) HG3 GLU 30 - H GLN 27 poor 16 81 20 - 2.9-9.2 HG2 GLU 44 - H GLN 27 far 0 92 0 - 5.4-27.3 HG2 GLU 102 - H GLN 27 far 0 99 0 - 5.6-28.0 HG2 GLN 104 - H GLN 27 far 0 60 0 - 5.9-23.7 HG3 GLN 68 - H GLN 27 far 0 60 0 - 8.6-18.9 Violated in 0 structures by 0.00 A. Peak 6274 from nnoeabs.peaks (2.36, 8.39, 121.72 ppm; 3.38 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 27 + H GLN 27 OK 99 100 100 99 1.7-2.9 3.0/6271=66, 3.0/6272=59...(19) HG2 GLN 27 + H GLN 27 OK 98 99 100 99 1.7-4.2 3.0/6271=66, 3.0/6272=59...(19) HG3 GLU 30 - H GLN 27 poor 13 65 20 - 2.9-9.2 HG2 GLU 44 - H GLN 27 far 0 81 0 - 5.4-27.3 HG2 GLU 102 - H GLN 27 far 0 100 0 - 5.6-28.0 HG2 GLN 104 - H GLN 27 far 0 76 0 - 5.9-23.7 Violated in 0 structures by 0.00 A. Peak 6277 from nnoeabs.peaks (8.33, 8.39, 121.72 ppm; 5.58 A): 1 out of 7 assignments used, quality = 1.00: * H ALA 28 + H GLN 27 OK 100 100 100 100 2.1-3.9 4.6=100 H GLU 44 - H GLN 27 far 10 99 10 - 7.0-24.2 H LEU 49 - H GLN 27 far 7 73 10 - 6.0-21.9 H ALA 110 - H GLN 27 far 3 68 5 - 6.1-33.5 H GLY 111 - H GLN 27 far 0 73 0 - 7.5-31.3 H LYS 19 - H GLN 27 far 0 78 0 - 7.9-21.1 H ALA 21 - H GLN 27 far 0 85 0 - 8.2-16.2 Violated in 0 structures by 0.00 A. Peak 6278 from nnoeabs.peaks (6.85, 6.85, 112.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 27 + HE21 GLN 27 OK 100 100 - 100 HE21 GLN 68 + HE21 GLN 68 OK 67 67 - 100 Peak 6282 from nnoeabs.peaks (2.06, 6.85, 112.56 ppm; 6.79 A): 1 out of 16 assignments used, quality = 1.00: * HB3 GLN 27 + HE21 GLN 27 OK 100 100 100 100 3.7-5.2 4.6=100 HB3 GLU 44 - HE21 GLN 27 far 13 89 15 - 5.8-26.9 HB3 GLN 27 - HE21 GLN 68 far 11 70 15 - 7.5-17.0 HG3 PRO 58 - HE21 GLN 27 far 10 97 10 - 6.3-28.4 HB3 GLU 40 - HE21 GLN 27 far 7 71 10 - 4.7-29.5 HB3 GLU 44 - HE21 GLN 68 far 6 56 10 - 8.0-13.9 HB2 LEU 62 - HE21 GLN 27 far 5 100 5 - 6.8-27.2 HG3 GLN 134 - HE21 GLN 27 far 4 81 5 - 7.0-31.2 HB2 GLU 102 - HE21 GLN 27 far 4 81 5 - 7.0-30.8 HB VAL 57 - HE21 GLN 27 far 0 60 0 - 8.4-29.6 HB3 GLU 55 - HE21 GLN 27 far 0 85 0 - 8.4-36.8 HG3 PRO 113 - HE21 GLN 27 far 0 100 0 - 8.6-33.3 HB3 LYS 39 - HE21 GLN 27 far 0 87 0 - 8.7-28.3 HB2 GLN 127 - HE21 GLN 27 far 0 100 0 - 9.3-30.1 HB VAL 118 - HE21 GLN 27 far 0 100 0 - 9.5-26.9 HB2 LEU 62 - HE21 GLN 68 far 0 70 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 6283 from nnoeabs.peaks (2.35, 6.85, 112.56 ppm; 4.45 A): 3 out of 14 assignments used, quality = 1.00: * HG2 GLN 27 + HE21 GLN 27 OK 100 100 100 100 2.5-4.1 3.5=100 HG3 GLN 27 + HE21 GLN 27 OK 99 99 100 100 2.6-4.1 3.5=100 HG3 GLN 68 + HE21 GLN 68 OK 35 35 100 100 2.3-3.6 3.5=100 HG2 GLU 44 - HE21 GLN 27 far 9 92 10 - 5.3-29.5 HG3 GLU 30 - HE21 GLN 27 far 8 81 10 - 4.7-12.8 HG3 GLU 30 - HE21 GLN 68 far 5 50 10 - 4.3-18.4 HG2 GLU 102 - HE21 GLN 27 far 5 99 5 - 5.9-32.0 HB3 GLN 134 - HE21 GLN 27 far 0 76 0 - 6.4-32.6 HG2 GLN 104 - HE21 GLN 27 far 0 60 0 - 6.9-25.9 HG2 GLU 44 - HE21 GLN 68 far 0 59 0 - 7.4-16.5 HG2 GLN 27 - HE21 GLN 68 far 0 70 0 - 8.1-18.2 HG3 GLN 27 - HE21 GLN 68 far 0 69 0 - 8.1-19.4 HG2 GLN 104 - HE21 GLN 68 far 0 35 0 - 8.9-14.2 HG3 GLN 68 - HE21 GLN 27 far 0 60 0 - 9.0-19.9 Violated in 0 structures by 0.00 A. Peak 6284 from nnoeabs.peaks (2.36, 6.85, 112.56 ppm; 4.44 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLN 27 + HE21 GLN 27 OK 100 100 100 100 2.6-4.1 3.5=100 HG2 GLN 27 + HE21 GLN 27 OK 99 99 100 100 2.5-4.1 3.5=100 HG2 GLU 44 - HE21 GLN 27 far 8 81 10 - 5.3-29.5 HG3 GLU 30 - HE21 GLN 27 far 7 65 10 - 4.7-12.8 HG2 GLU 102 - HE21 GLN 27 far 5 100 5 - 5.9-32.0 HG3 GLU 30 - HE21 GLN 68 far 4 39 10 - 4.3-18.4 HB3 GLN 134 - HE21 GLN 27 far 0 60 0 - 6.4-32.6 HG2 GLN 104 - HE21 GLN 27 far 0 76 0 - 6.9-25.9 HG2 GLU 44 - HE21 GLN 68 far 0 50 0 - 7.4-16.5 HG2 GLN 27 - HE21 GLN 68 far 0 69 0 - 8.1-18.2 HG3 GLN 27 - HE21 GLN 68 far 0 70 0 - 8.1-19.4 HG2 GLN 104 - HE21 GLN 68 far 0 46 0 - 8.9-14.2 Violated in 0 structures by 0.00 A. Peak 6285 from nnoeabs.peaks (7.54, 6.85, 112.56 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HE22 GLN 27 + HE21 GLN 27 OK 100 100 100 100 1.7-1.7 1.7=100 HE22 GLN 61 - HE21 GLN 68 far 0 42 0 - 7.0-14.4 H THR 54 - HE21 GLN 27 far 0 92 0 - 7.1-35.1 HE22 GLN 27 - HE21 GLN 68 far 0 70 0 - 7.6-19.9 HE22 GLN 61 - HE21 GLN 27 far 0 71 0 - 8.4-28.9 Violated in 0 structures by 0.00 A. Peak 6286 from nnoeabs.peaks (7.54, 7.54, 112.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 27 + HE22 GLN 27 OK 100 100 - 100 Peak 6287 from nnoeabs.peaks (8.39, 7.54, 112.56 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 27 + HE22 GLN 27 OK 100 100 100 100 2.4-6.5 6.8=100 H LYS 26 + HE22 GLN 27 OK 47 87 95 56 3.4-8.6 2.9/6288=20, 728/3.5=19...(9) H THR 65 - HE22 GLN 27 far 10 99 10 - 5.7-21.5 H ASP 35 - HE22 GLN 27 far 5 100 5 - 7.9-19.0 H LYS 24 - HE22 GLN 27 lone 1 85 35 3 5.4-14.2 H MET 11 - HE22 GLN 27 far 0 71 0 - 8.5-31.9 Violated in 0 structures by 0.00 A. Peak 6288 from nnoeabs.peaks (4.24, 7.54, 112.56 ppm; 6.80 A): 3 out of 12 assignments used, quality = 1.00: * HA GLN 27 + HE22 GLN 27 OK 100 100 100 100 2.0-6.1 5.9=100 HA LYS 26 + HE22 GLN 27 OK 50 71 95 75 3.9-8.5 3.6/6287=48, 2.9/6287=24...(6) HA ALA 28 + HE22 GLN 27 OK 38 99 40 95 4.0-9.2 702/4.6=46, 711/4.6=37...(8) HA ALA 29 - HE22 GLN 27 poor 18 92 20 - 6.6-10.1 HA LEU 22 - HE22 GLN 27 far 11 73 15 - 6.9-18.3 HA GLU 30 - HE22 GLN 27 far 9 87 10 - 6.0-13.6 HA SER 51 - HE22 GLN 27 far 7 65 10 - 5.9-33.1 HA SER 94 - HE22 GLN 27 far 5 97 5 - 5.2-30.1 HB3 SER 38 - HE22 GLN 27 far 4 81 5 - 5.9-23.5 HA LYS 19 - HE22 GLN 27 far 4 76 5 - 5.9-23.2 HA HIS 67 - HE22 GLN 27 far 3 68 5 - 8.2-21.0 HA SER 99 - HE22 GLN 27 far 0 68 0 - 9.0-29.5 Violated in 0 structures by 0.00 A. Peak 6290 from nnoeabs.peaks (2.06, 7.54, 112.56 ppm; 6.80 A): 1 out of 12 assignments used, quality = 1.00: * HB3 GLN 27 + HE22 GLN 27 OK 100 100 100 100 2.0-4.7 4.6=100 HB3 GLU 44 - HE22 GLN 27 poor 18 89 20 - 6.2-25.4 HB2 LEU 62 - HE22 GLN 27 far 10 100 10 - 7.6-26.4 HG3 PRO 58 - HE22 GLN 27 far 10 97 10 - 6.8-27.7 HB VAL 118 - HE22 GLN 27 far 5 100 5 - 8.2-26.5 HB2 GLU 102 - HE22 GLN 27 far 4 81 5 - 6.2-30.8 HG3 GLN 134 - HE22 GLN 27 far 4 81 5 - 7.7-29.9 HB3 GLU 40 - HE22 GLN 27 far 4 71 5 - 6.2-28.1 HG3 PRO 113 - HE22 GLN 27 far 0 100 0 - 8.4-32.7 HB2 GLN 127 - HE22 GLN 27 far 0 100 0 - 8.6-29.2 HB VAL 57 - HE22 GLN 27 far 0 60 0 - 9.1-28.8 HB3 LYS 39 - HE22 GLN 27 far 0 87 0 - 9.9-28.0 Violated in 0 structures by 0.00 A. Peak 6291 from nnoeabs.peaks (2.35, 7.54, 112.56 ppm; 3.93 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLN 27 + HE22 GLN 27 OK 100 100 100 100 2.2-3.6 3.5=100 HG3 GLN 27 + HE22 GLN 27 OK 99 99 100 100 2.1-3.6 3.5=100 HG2 GLU 102 - HE22 GLN 27 far 5 99 5 - 5.0-31.5 HG3 GLU 30 - HE22 GLN 27 far 4 81 5 - 3.5-12.2 HG2 GLN 104 - HE22 GLN 27 far 0 60 0 - 6.0-25.2 HG2 GLU 44 - HE22 GLN 27 far 0 92 0 - 6.2-28.1 HB3 GLN 134 - HE22 GLN 27 far 0 76 0 - 7.5-31.6 HG3 GLN 68 - HE22 GLN 27 far 0 60 0 - 8.4-18.8 Violated in 0 structures by 0.00 A. Peak 6292 from nnoeabs.peaks (2.36, 7.54, 112.56 ppm; 3.93 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLN 27 + HE22 GLN 27 OK 100 100 100 100 2.1-3.6 3.5=100 HG2 GLN 27 + HE22 GLN 27 OK 99 99 100 100 2.2-3.6 3.5=100 HG2 GLU 102 - HE22 GLN 27 far 5 100 5 - 5.0-31.5 HG3 GLU 30 - HE22 GLN 27 far 3 65 5 - 3.5-12.2 HG2 GLN 104 - HE22 GLN 27 far 0 76 0 - 6.0-25.2 HG2 GLU 44 - HE22 GLN 27 far 0 81 0 - 6.2-28.1 HB3 GLN 134 - HE22 GLN 27 far 0 60 0 - 7.5-31.6 Violated in 0 structures by 0.00 A. Peak 6293 from nnoeabs.peaks (6.85, 7.54, 112.56 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 27 + HE22 GLN 27 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 68 - HE22 GLN 27 far 0 99 0 - 7.6-19.9 Violated in 0 structures by 0.00 A. Peak 6294 from nnoeabs.peaks (8.33, 8.33, 125.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 28 + H ALA 28 OK 100 100 - 100 Peak 6295 from nnoeabs.peaks (8.39, 8.33, 125.44 ppm; 5.58 A): 2 out of 8 assignments used, quality = 1.00: * H GLN 27 + H ALA 28 OK 100 100 100 100 2.1-3.9 4.6=100 H LYS 26 + H ALA 28 OK 85 87 100 97 3.4-5.8 4.0/10769=74...(17) H LYS 24 - H ALA 28 poor 7 85 30 26 4.6-12.4 10740/10772=24 H MET 11 - H ALA 28 far 0 71 0 - 7.8-31.4 H THR 65 - H ALA 28 far 0 99 0 - 7.9-18.1 H SER 74 - H ALA 28 far 0 85 0 - 9.1-23.0 H GLY 14 - H ALA 28 far 0 78 0 - 9.5-26.8 H ASP 35 - H ALA 28 far 0 100 0 - 9.7-16.5 Violated in 0 structures by 0.00 A. Peak 6296 from nnoeabs.peaks (4.24, 8.33, 125.44 ppm; 2.59 A): 2 out of 9 assignments used, quality = 0.99: * HA GLN 27 + H ALA 28 OK 94 100 100 94 3.2-3.6 700=75, 3.0/6298=32...(22) HA ALA 28 + H ALA 28 OK 90 99 100 91 2.3-2.9 3.0=68, 2.1/6304=58...(7) HA LYS 26 - H ALA 28 far 11 71 15 - 3.6-6.8 HA ALA 29 - H ALA 28 far 5 92 5 - 3.9-5.5 HA LEU 22 - H ALA 28 far 4 73 5 - 4.0-15.9 HA SER 94 - H ALA 28 far 0 97 0 - 4.4-27.5 HA GLU 30 - H ALA 28 far 0 87 0 - 5.1-8.1 HA LYS 19 - H ALA 28 far 0 76 0 - 5.6-20.6 HA HIS 67 - H ALA 28 far 0 68 0 - 8.5-17.8 Violated in 13 structures by 0.09 A. Peak 6297 from nnoeabs.peaks (1.96, 8.33, 125.44 ppm; 3.33 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLN 27 + H ALA 28 OK 99 100 100 99 1.8-3.9 1.8/6298=74, 3.0/700=60...(23) HB2 GLU 30 + H ALA 28 OK 29 98 35 85 3.6-7.5 10791/6304=23, 709=14...(24) HG LEU 53 - H ALA 28 far 0 60 0 - 7.6-25.8 HB3 ARG 90 - H ALA 28 far 0 93 0 - 9.2-30.1 HB2 LYS 95 - H ALA 28 far 0 63 0 - 9.4-25.2 HB3 LEU 53 - H ALA 28 far 0 60 0 - 9.4-27.7 HB3 LYS 95 - H ALA 28 far 0 71 0 - 9.8-26.3 HB2 PRO 58 - H ALA 28 far 0 90 0 - 9.9-23.7 Violated in 1 structures by 0.01 A. Peak 6298 from nnoeabs.peaks (2.06, 8.33, 125.44 ppm; 3.21 A): 1 out of 6 assignments used, quality = 0.99: * HB3 GLN 27 + H ALA 28 OK 99 100 100 99 1.8-4.1 3.0/700=56, 1.8/6297=51...(26) HB3 GLU 44 - H ALA 28 far 9 89 10 - 3.2-22.9 QE MET 11 - H ALA 28 far 0 83 0 - 6.4-24.8 HG3 PRO 58 - H ALA 28 far 0 97 0 - 8.9-23.9 HB VAL 57 - H ALA 28 far 0 60 0 - 9.5-23.6 HB3 GLU 40 - H ALA 28 far 0 71 0 - 9.6-26.4 Violated in 16 structures by 0.26 A. Peak 6299 from nnoeabs.peaks (2.35, 8.33, 125.44 ppm; 4.43 A): 3 out of 7 assignments used, quality = 1.00: * HG2 GLN 27 + H ALA 28 OK 100 100 100 100 2.1-4.8 3.0/6298=84, 3.7/700=77...(26) HG3 GLN 27 + H ALA 28 OK 99 99 100 100 2.3-4.9 3.0/6298=84, 3.7/700=77...(29) HG3 GLU 30 + H ALA 28 OK 62 81 80 96 2.0-7.0 10792/6304=47, ~10743=25...(24) HG2 GLU 44 - H ALA 28 poor 18 92 20 - 5.2-25.2 HG2 GLN 104 - H ALA 28 far 3 60 5 - 5.2-22.6 HG2 GLU 102 - H ALA 28 far 0 99 0 - 7.4-27.5 HG3 GLN 68 - H ALA 28 far 0 60 0 - 8.6-17.7 Violated in 0 structures by 0.00 A. Peak 6300 from nnoeabs.peaks (2.36, 8.33, 125.44 ppm; 4.43 A): 3 out of 6 assignments used, quality = 1.00: * HG3 GLN 27 + H ALA 28 OK 100 100 100 100 2.3-4.9 3.0/6298=84, 3.7/700=77...(29) HG2 GLN 27 + H ALA 28 OK 99 99 100 100 2.1-4.8 3.0/6298=84, 3.7/700=77...(26) HG3 GLU 30 + H ALA 28 OK 50 65 80 95 2.0-7.0 10792/6304=39, ~10743=25...(24) HG2 GLU 44 - H ALA 28 poor 16 81 20 - 5.2-25.2 HG2 GLN 104 - H ALA 28 far 4 76 5 - 5.2-22.6 HG2 GLU 102 - H ALA 28 far 0 100 0 - 7.4-27.5 Violated in 0 structures by 0.00 A. Peak 6303 from nnoeabs.peaks (4.24, 8.33, 125.44 ppm; 2.59 A): 2 out of 7 assignments used, quality = 0.99: HA GLN 27 + H ALA 28 OK 94 99 100 94 3.2-3.6 700=74, 3.0/6298=32...(22) * HA ALA 28 + H ALA 28 OK 91 100 100 91 2.3-2.9 3.0=68, 2.1/6304=58...(8) HA ALA 29 - H ALA 28 far 5 98 5 - 3.9-5.5 HA SER 94 - H ALA 28 far 0 100 0 - 4.4-27.5 HA GLU 30 - H ALA 28 far 0 96 0 - 5.1-8.1 HA LYS 19 - H ALA 28 far 0 60 0 - 5.6-20.6 HA HIS 67 - H ALA 28 far 0 83 0 - 8.5-17.8 Violated in 13 structures by 0.09 A. Peak 6304 from nnoeabs.peaks (1.38, 8.33, 125.44 ppm; 2.50 A): 1 out of 15 assignments used, quality = 0.86: * QB ALA 28 + H ALA 28 OK 86 100 100 86 2.1-3.0 2.9=63, 2.1/6303=26...(15) HG3 LYS 26 - H ALA 28 far 0 100 0 - 4.2-6.8 QB ALA 29 - H ALA 28 far 0 100 0 - 4.3-5.3 QB ALA 108 - H ALA 28 far 0 100 0 - 4.8-23.5 HG3 LYS 31 - H ALA 28 far 0 99 0 - 5.4-10.1 HG2 LYS 24 - H ALA 28 far 0 100 0 - 5.8-13.3 QB ALA 110 - H ALA 28 far 0 100 0 - 7.0-27.3 HG2 LYS 19 - H ALA 28 far 0 85 0 - 7.4-23.2 QB ALA 12 - H ALA 28 far 0 73 0 - 7.4-21.1 QB ALA 109 - H ALA 28 far 0 100 0 - 7.9-25.5 QB ALA 15 - H ALA 28 far 0 100 0 - 8.0-20.8 HG LEU 96 - H ALA 28 far 0 93 0 - 8.1-22.9 HG3 LYS 95 - H ALA 28 far 0 100 0 - 8.3-27.3 HG2 LYS 36 - H ALA 28 far 0 100 0 - 9.2-18.8 QB ALA 16 - H ALA 28 far 0 81 0 - 9.3-19.0 Violated in 13 structures by 0.20 A. Peak 6305 from nnoeabs.peaks (8.25, 8.33, 125.44 ppm; 5.58 A): 3 out of 7 assignments used, quality = 1.00: * H ALA 29 + H ALA 28 OK 100 100 100 100 1.9-4.4 4.6=100 H GLU 30 + H ALA 28 OK 86 93 100 92 2.4-5.4 3.6/10778=42...(11) H LYS 31 + H ALA 28 OK 65 92 85 83 3.2-7.7 6307=27, 6.2/10771=24...(12) H SER 107 - H ALA 28 far 9 93 10 - 4.2-26.0 H ARG 23 - H ALA 28 lone 1 100 25 4 4.8-14.2 4.5/6295=2 H LEU 96 - H ALA 28 far 0 68 0 - 7.7-23.4 H SER 33 - H ALA 28 far 0 90 0 - 7.8-13.4 Violated in 0 structures by 0.00 A. Peak 6306 from nnoeabs.peaks (8.25, 8.25, 122.97 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 29 + H ALA 29 OK 100 100 - 100 H LYS 31 + H LYS 31 OK 42 42 - 100 Peak 6307 from nnoeabs.peaks (8.33, 8.25, 122.97 ppm; 5.58 A): 2 out of 15 assignments used, quality = 1.00: * H ALA 28 + H ALA 29 OK 100 100 100 100 1.9-4.4 4.6=100 H ALA 28 + H LYS 31 OK 37 51 85 85 3.2-7.7 6305=26, 10771/6.2=24...(13) H LEU 49 - H ALA 29 poor 15 73 20 - 5.2-19.7 H LYS 19 - H LYS 31 far 5 33 15 - 5.0-22.2 H GLY 17 - H LYS 31 far 5 49 10 - 5.8-23.8 H LEU 69 - H ALA 29 far 3 63 5 - 6.9-12.7 H ALA 21 - H LYS 31 far 2 37 5 - 6.7-19.7 H GLU 44 - H ALA 29 far 0 99 0 - 7.3-21.6 H ALA 21 - H ALA 29 far 0 85 0 - 8.3-18.3 H LEU 69 - H LYS 31 far 0 25 0 - 8.5-14.0 H GLU 44 - H LYS 31 far 0 49 0 - 8.9-20.9 H TYR 72 - H ALA 29 far 0 100 0 - 9.0-17.2 H LYS 19 - H ALA 29 far 0 78 0 - 9.2-21.5 H LEU 49 - H LYS 31 far 0 31 0 - 9.2-20.2 H TYR 72 - H LYS 31 far 0 50 0 - 9.5-17.7 Violated in 0 structures by 0.00 A. Peak 6308 from nnoeabs.peaks (4.24, 8.25, 122.97 ppm; 2.79 A): 4 out of 14 assignments used, quality = 0.99: HA ALA 29 + H ALA 29 OK 92 98 100 94 2.3-2.9 2.9=86, 2.1/6311=30...(14) * HA ALA 28 + H ALA 29 OK 77 100 100 77 2.1-3.5 3.6=48, 2.1/6311=26...(12) HA GLU 30 + H LYS 31 OK 34 45 100 75 3.3-3.6 3.6=48, 3.0/773=17...(12) HA GLN 27 + H ALA 29 OK 22 99 40 55 3.1-7.0 3.0/10788=21, 700/4.6=20...(7) HA ALA 29 - H LYS 31 poor 14 47 30 - 3.0-4.9 HA GLU 30 - H ALA 29 far 0 96 0 - 4.7-5.5 HA SER 94 - H ALA 29 far 0 100 0 - 5.0-24.9 HA ALA 28 - H LYS 31 far 0 51 0 - 5.1-6.9 HA GLN 27 - H LYS 31 far 0 49 0 - 5.2-9.0 HA LYS 19 - H LYS 31 far 0 24 0 - 6.0-23.5 HA HIS 67 - H ALA 29 far 0 83 0 - 6.5-15.3 HA LYS 19 - H ALA 29 far 0 60 0 - 7.9-20.7 HA SER 94 - H LYS 31 far 0 50 0 - 9.3-25.6 HA HIS 67 - H LYS 31 far 0 36 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 6309 from nnoeabs.peaks (1.38, 8.25, 122.97 ppm; 2.52 A): 3 out of 27 assignments used, quality = 0.96: QB ALA 29 + H ALA 29 OK 82 100 100 82 2.2-3.0 2.9=63, 2.1/6310=23...(14) * QB ALA 28 + H ALA 29 OK 72 100 100 72 2.6-3.7 3.7=31, 2.1/6310=18...(21) HG3 LYS 31 + H LYS 31 OK 25 49 75 69 1.7-4.8 3.0/799=23, 3.0/810=16...(16) QB ALA 28 - H LYS 31 poor 15 51 30 - 3.1-5.7 HG3 LYS 26 - H LYS 31 far 8 50 15 - 2.8-13.2 HG3 LYS 26 - H ALA 29 far 5 100 5 - 3.7-9.7 QB ALA 15 - H LYS 31 far 3 51 5 - 3.9-21.1 QB ALA 29 - H LYS 31 far 3 50 5 - 4.0-5.6 QB ALA 108 - H ALA 29 far 0 100 0 - 4.4-23.0 HG3 LYS 31 - H ALA 29 far 0 99 0 - 4.6-9.3 HG2 LYS 19 - H LYS 31 far 0 37 0 - 5.4-24.1 QB ALA 12 - H LYS 31 far 0 31 0 - 5.8-22.0 QB ALA 16 - H LYS 31 far 0 35 0 - 6.2-20.8 HG2 LYS 24 - H ALA 29 far 0 100 0 - 6.4-13.1 HG LEU 96 - H ALA 29 far 0 93 0 - 7.0-20.3 HG2 LYS 24 - H LYS 31 far 0 50 0 - 7.1-17.0 QB ALA 15 - H ALA 29 far 0 100 0 - 7.6-21.3 QB ALA 108 - H LYS 31 far 0 51 0 - 7.9-24.2 HG2 LYS 36 - H LYS 31 far 0 50 0 - 8.1-12.6 HG2 LYS 36 - H ALA 29 far 0 100 0 - 8.1-15.6 QB ALA 110 - H ALA 29 far 0 100 0 - 8.5-27.5 HG2 LYS 19 - H ALA 29 far 0 85 0 - 9.0-22.8 QB ALA 109 - H ALA 29 far 0 100 0 - 9.3-25.2 QB ALA 12 - H ALA 29 far 0 73 0 - 9.3-21.0 QB ALA 109 - H LYS 31 far 0 50 0 - 9.4-25.3 HB3 LEU 100 - H ALA 29 far 0 100 0 - 9.7-18.2 HB2 LEU 96 - H ALA 29 far 0 100 0 - 9.9-19.8 Violated in 10 structures by 0.08 A. Peak 6310 from nnoeabs.peaks (4.23, 8.25, 122.97 ppm; 2.50 A): 3 out of 14 assignments used, quality = 0.95: * HA ALA 29 + H ALA 29 OK 80 100 100 80 2.3-2.9 2.9=62, 2.1/6311=25...(13) HA ALA 28 + H ALA 29 OK 63 98 100 64 2.1-3.5 3.6=34, 2.1/6311=22...(11) HA GLU 30 + H LYS 31 OK 31 50 100 63 3.3-3.6 3.6=34, 3.0/773=13...(11) HA GLN 27 - H ALA 29 poor 13 92 35 41 3.1-7.0 3.0/10788=16, 700/4.6=13...(6) HA ALA 29 - H LYS 31 poor 13 51 25 - 3.0-4.9 HB THR 25 - H ALA 29 far 7 65 10 - 2.3-11.1 HB THR 25 - H LYS 31 far 0 27 0 - 4.4-14.0 HA GLU 30 - H ALA 29 far 0 100 0 - 4.7-5.5 HA SER 94 - H ALA 29 far 0 100 0 - 5.0-24.9 HA ALA 28 - H LYS 31 far 0 47 0 - 5.1-6.9 HA GLN 27 - H LYS 31 far 0 42 0 - 5.2-9.0 HA HIS 67 - H ALA 29 far 0 97 0 - 6.5-15.3 HA SER 94 - H LYS 31 far 0 50 0 - 9.3-25.6 HA HIS 67 - H LYS 31 far 0 46 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 6311 from nnoeabs.peaks (1.38, 8.25, 122.97 ppm; 2.52 A): 3 out of 27 assignments used, quality = 0.96: * QB ALA 29 + H ALA 29 OK 82 100 100 82 2.2-3.0 2.9=63, 2.1/6310=23...(14) QB ALA 28 + H ALA 29 OK 72 100 100 72 2.6-3.7 3.7=31, 2.1/6310=18...(21) HG3 LYS 31 + H LYS 31 OK 24 47 75 69 1.7-4.8 3.0/799=23, 3.0/810=16...(16) QB ALA 28 - H LYS 31 poor 15 50 30 - 3.1-5.7 HG3 LYS 26 - H LYS 31 far 8 51 15 - 2.8-13.2 HG3 LYS 26 - H ALA 29 far 5 100 5 - 3.7-9.7 QB ALA 29 - H LYS 31 far 3 51 5 - 4.0-5.6 QB ALA 15 - H LYS 31 far 3 50 5 - 3.9-21.1 QB ALA 108 - H ALA 29 far 0 100 0 - 4.4-23.0 HG3 LYS 31 - H ALA 29 far 0 97 0 - 4.6-9.3 HG2 LYS 19 - H LYS 31 far 0 41 0 - 5.4-24.1 QB ALA 12 - H LYS 31 far 0 35 0 - 5.8-22.0 QB ALA 16 - H LYS 31 far 0 31 0 - 6.2-20.8 HG2 LYS 24 - H ALA 29 far 0 100 0 - 6.4-13.1 HG LEU 96 - H ALA 29 far 0 89 0 - 7.0-20.3 HG2 LYS 24 - H LYS 31 far 0 51 0 - 7.1-17.0 QB ALA 15 - H ALA 29 far 0 100 0 - 7.6-21.3 QB ALA 108 - H LYS 31 far 0 50 0 - 7.9-24.2 HG2 LYS 36 - H LYS 31 far 0 51 0 - 8.1-12.6 HG2 LYS 36 - H ALA 29 far 0 100 0 - 8.1-15.6 QB ALA 110 - H ALA 29 far 0 100 0 - 8.5-27.5 HG2 LYS 19 - H ALA 29 far 0 90 0 - 9.0-22.8 QB ALA 109 - H ALA 29 far 0 99 0 - 9.3-25.2 QB ALA 12 - H ALA 29 far 0 81 0 - 9.3-21.0 QB ALA 109 - H LYS 31 far 0 48 0 - 9.4-25.3 HB3 LEU 100 - H ALA 29 far 0 100 0 - 9.7-18.2 HB2 LEU 96 - H ALA 29 far 0 100 0 - 9.9-19.8 Violated in 10 structures by 0.08 A. Peak 6312 from nnoeabs.peaks (8.26, 8.25, 122.97 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: H ALA 29 + H ALA 29 OK 93 93 - 100 H LYS 31 + H LYS 31 OK 24 24 - 100 Reference assignment not found: H GLU 30 - H ALA 29 Peak 6313 from nnoeabs.peaks (8.26, 8.26, 119.71 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H GLU 30 + H GLU 30 OK 100 100 - 100 H LEU 123 + H LEU 123 OK 100 100 - 100 H ASP 131 + H ASP 131 OK 91 91 - 100 Peak 6314 from nnoeabs.peaks (8.25, 8.26, 119.71 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: H LEU 123 + H LEU 123 OK 96 96 - 100 H GLU 30 + H GLU 30 OK 93 93 - 100 H ASP 131 + H ASP 131 OK 69 69 - 100 Reference assignment not found: H ALA 29 - H GLU 30 Peak 6315 from nnoeabs.peaks (4.23, 8.26, 119.71 ppm; 2.73 A): 3 out of 12 assignments used, quality = 1.00: HA GLU 30 + H GLU 30 OK 97 100 100 97 2.8-2.9 3.0=80, 3.0/6318=41...(12) * HA ALA 29 + H GLU 30 OK 81 100 100 81 2.7-3.1 3.6=45, 2.1/6316=27...(16) HA ALA 28 + H GLU 30 OK 29 98 50 58 3.4-5.1 2.1/6316=24, 748=10...(11) HB THR 25 - H GLU 30 far 3 65 5 - 4.2-12.0 HA GLN 27 - H GLU 30 far 0 92 0 - 4.6-7.8 HA SER 124 - H LEU 123 far 0 95 0 - 5.1-5.5 HA SER 94 - H GLU 30 far 0 100 0 - 6.9-25.0 HA SER 99 - H LEU 123 far 0 96 0 - 7.2-9.5 HA HIS 67 - H LEU 123 far 0 96 0 - 7.6-11.4 HA SER 124 - H ASP 131 far 0 87 0 - 8.0-9.1 HA HIS 67 - H GLU 30 far 0 97 0 - 8.0-15.0 HA ALA 88 - H ASP 131 far 0 62 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 6316 from nnoeabs.peaks (1.38, 8.26, 119.71 ppm; 2.86 A): 2 out of 26 assignments used, quality = 0.95: * QB ALA 29 + H GLU 30 OK 83 100 100 83 3.5-3.7 3.7=47, 2.1/6315=24...(15) QB ALA 28 + H GLU 30 OK 73 100 100 73 2.4-3.9 10792/6321=22...(11) HG3 LYS 31 - H GLU 30 poor 11 97 30 36 3.1-7.0 6334/4.6=8, 10743/6320=5...(11) HG3 LYS 26 - H GLU 30 far 10 100 10 - 4.1-11.0 HB3 LEU 100 - H LEU 123 far 0 100 0 - 5.0-6.0 QB ALA 15 - H GLU 30 far 0 100 0 - 5.2-21.5 HB2 LEU 96 - H LEU 123 far 0 100 0 - 5.3-8.5 QB ALA 108 - H GLU 30 far 0 100 0 - 5.9-22.6 QB ALA 110 - H LEU 123 far 0 100 0 - 6.4-17.1 HB2 LEU 42 - H ASP 131 far 0 94 0 - 6.5-10.6 HG LEU 96 - H LEU 123 far 0 88 0 - 6.7-9.5 HG2 LYS 19 - H GLU 30 far 0 90 0 - 7.0-23.8 HG2 LYS 24 - H GLU 30 far 0 100 0 - 7.6-14.9 QB ALA 12 - H GLU 30 far 0 81 0 - 7.7-22.3 QB ALA 16 - H GLU 30 far 0 73 0 - 8.0-19.7 HG3 LYS 95 - H LEU 123 far 0 99 0 - 8.3-11.6 QB ALA 108 - H LEU 123 far 0 99 0 - 8.4-15.9 HG2 LYS 95 - H LEU 123 far 0 98 0 - 8.5-11.2 HG2 LYS 36 - H GLU 30 far 0 100 0 - 8.8-14.0 QB ALA 109 - H GLU 30 far 0 99 0 - 8.9-23.5 HB2 LEU 96 - H ASP 131 far 0 94 0 - 9.1-11.1 QB ALA 109 - H LEU 123 far 0 98 0 - 9.2-14.8 HG LEU 96 - H GLU 30 far 0 89 0 - 9.3-20.6 QB ALA 29 - H LEU 123 far 0 100 0 - 9.3-17.4 QB ALA 110 - H GLU 30 far 0 100 0 - 9.7-26.1 HG3 LYS 95 - H ASP 131 far 0 93 0 - 9.8-15.9 Violated in 13 structures by 0.13 A. Peak 6317 from nnoeabs.peaks (4.22, 8.26, 119.71 ppm; 2.73 A): 4 out of 14 assignments used, quality = 1.00: * HA GLU 30 + H GLU 30 OK 97 100 100 97 2.8-2.9 3.0=80, 3.0/6318=41...(12) HA ALA 29 + H GLU 30 OK 81 100 100 81 2.7-3.1 3.6=45, 2.1/6316=27...(16) HA GLU 128 + H ASP 131 OK 28 52 100 55 3.3-3.8 3.6/7896=15...(10) HA ALA 28 + H GLU 30 OK 28 96 50 58 3.4-5.1 2.1/6316=24, 748=10...(11) HB THR 25 - H GLU 30 far 4 73 5 - 4.2-12.0 HA GLN 27 - H GLU 30 far 0 87 0 - 4.6-7.8 HA SER 124 - H LEU 123 far 0 91 0 - 5.1-5.5 HA SER 94 - H GLU 30 far 0 99 0 - 6.9-25.0 HA SER 99 - H LEU 123 far 0 98 0 - 7.2-9.5 HA HIS 67 - H LEU 123 far 0 98 0 - 7.6-11.4 HA SER 124 - H ASP 131 far 0 82 0 - 8.0-9.1 HA HIS 67 - H GLU 30 far 0 99 0 - 8.0-15.0 HA ALA 88 - H ASP 131 far 0 69 0 - 9.5-11.3 HA GLU 128 - H LEU 123 far 0 59 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 6318 from nnoeabs.peaks (1.96, 8.26, 119.71 ppm; 2.80 A): 1 out of 8 assignments used, quality = 0.94: * HB2 GLU 30 + H GLU 30 OK 94 100 100 94 2.4-3.3 1.8/6319=47, 3.0/6321=35...(15) HB2 GLN 27 - H GLU 30 poor 20 98 20 - 3.6-7.5 HG LEU 53 - H LEU 123 far 0 82 0 - 4.8-8.9 HB3 LYS 95 - H LEU 123 far 0 89 0 - 6.6-10.3 HB2 LYS 95 - H LEU 123 far 0 84 0 - 7.8-9.9 HB2 PRO 58 - H GLU 30 far 0 99 0 - 7.9-25.1 HB3 ARG 90 - H GLU 30 far 0 100 0 - 8.5-28.2 HG LEU 53 - H GLU 30 far 0 83 0 - 9.2-24.4 Violated in 5 structures by 0.04 A. Peak 6319 from nnoeabs.peaks (2.02, 8.26, 119.71 ppm; 3.11 A): 2 out of 15 assignments used, quality = 0.99: * HB3 GLU 30 + H GLU 30 OK 99 100 100 99 3.6-3.9 1.8/6318=77, 4.0=47...(14) HB ILE 129 + H ASP 131 OK 21 79 35 76 4.5-4.9 4.6/7891=24, 3.8/7896=20...(13) HB3 LEU 53 - H LEU 123 far 0 67 0 - 5.4-8.9 HG3 ARG 135 - H ASP 131 far 0 85 0 - 6.0-9.1 HB2 GLU 44 - H GLU 30 far 0 100 0 - 6.2-21.2 HG2 PRO 58 - H GLU 30 far 0 99 0 - 6.2-26.8 HB2 GLN 134 - H ASP 131 far 0 94 0 - 6.3-7.6 HB VAL 20 - H GLU 30 far 0 87 0 - 6.5-19.1 HB VAL 63 - H GLU 30 far 0 100 0 - 7.5-18.3 HB3 PRO 117 - H LEU 123 far 0 96 0 - 7.5-9.8 QE MET 11 - H GLU 30 far 0 81 0 - 7.5-26.3 HB3 MET 11 - H GLU 30 far 0 100 0 - 8.3-30.9 HB VAL 63 - H LEU 123 far 0 100 0 - 8.7-13.4 HG2 PRO 81 - H ASP 131 far 0 71 0 - 8.8-12.1 HB ILE 129 - H LEU 123 far 0 88 0 - 9.4-10.6 Violated in 20 structures by 0.44 A. Peak 6320 from nnoeabs.peaks (2.29, 8.26, 119.71 ppm; 3.65 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLU 30 + H GLU 30 OK 100 100 100 100 2.3-3.6 1.8/6321=79, 3.0/6318=70...(15) HB VAL 132 - H ASP 131 far 5 92 5 - 5.1-6.0 HG2 GLN 61 - H GLU 30 far 0 99 0 - 5.8-22.5 HG2 GLU 97 - H GLU 30 far 0 90 0 - 7.2-23.4 HB3 PRO 113 - H LEU 123 far 0 94 0 - 8.5-17.1 HB3 GLN 101 - H GLU 30 far 0 95 0 - 8.8-21.5 HB VAL 105 - H GLU 30 far 0 78 0 - 9.3-26.1 Violated in 0 structures by 0.00 A. Peak 6321 from nnoeabs.peaks (2.33, 8.26, 119.71 ppm; 3.44 A): 1 out of 10 assignments used, quality = 0.99: * HG3 GLU 30 + H GLU 30 OK 99 100 100 99 2.0-3.3 1.8/6320=66, 3.0/6318=64...(14) HG3 GLN 27 - H GLU 30 poor 13 65 20 - 3.8-9.0 HG3 GLN 68 - H GLU 30 far 5 99 5 - 4.3-16.1 HG2 GLN 27 - H GLU 30 far 4 81 5 - 4.1-9.2 HG2 GLN 127 - H LEU 123 far 4 75 5 - 4.8-6.2 HB3 GLN 134 - H ASP 131 far 0 94 0 - 5.6-7.5 HG2 GLU 44 - H GLU 30 far 0 99 0 - 6.1-22.8 HG2 GLN 127 - H ASP 131 far 0 66 0 - 7.0-8.0 HB2 PRO 117 - H LEU 123 far 0 56 0 - 8.5-10.4 HB VAL 77 - H GLU 30 far 0 100 0 - 8.7-25.8 Violated in 0 structures by 0.00 A. Peak 6322 from nnoeabs.peaks (8.23, 8.26, 119.71 ppm; diagonal): 2 out of 2 assignments used, quality = 0.87: H LEU 123 + H LEU 123 OK 67 67 - 100 H GLU 30 + H GLU 30 OK 60 60 - 100 Reference assignment not found: H LYS 31 - H GLU 30 Peak 6323 from nnoeabs.peaks (8.23, 8.23, 122.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 31 + H LYS 31 OK 100 100 - 100 H ALA 29 + H ALA 29 OK 42 42 - 100 Peak 6324 from nnoeabs.peaks (8.26, 8.23, 122.66 ppm; diagonal): 2 out of 2 assignments used, quality = 0.77: H LYS 31 + H LYS 31 OK 60 60 - 100 H ALA 29 + H ALA 29 OK 43 43 - 100 Reference assignment not found: H GLU 30 - H LYS 31 Peak 6325 from nnoeabs.peaks (4.22, 8.23, 122.66 ppm; 2.50 A): 3 out of 14 assignments used, quality = 0.89: * HA GLU 30 + H LYS 31 OK 76 100 100 76 3.3-3.6 759=39, 3.0/6327=27...(12) HA ALA 29 + H ALA 29 OK 38 50 100 76 2.3-2.9 2.9=62, 10778/4.6=6...(14) HA ALA 28 + H ALA 29 OK 25 45 100 55 2.1-3.5 3.6=34, 2.1/749=8...(10) HA GLN 27 - H ALA 29 poor 13 38 35 - 3.1-7.0 HA ALA 29 - H LYS 31 poor 10 100 25 42 3.0-4.9 10819/4.7=8...(11) HB THR 25 - H ALA 29 far 3 31 10 - 2.3-11.1 HB THR 25 - H LYS 31 far 0 73 0 - 4.4-14.0 HA GLU 30 - H ALA 29 far 0 51 0 - 4.7-5.5 HA SER 94 - H ALA 29 far 0 49 0 - 5.0-24.9 HA ALA 28 - H LYS 31 far 0 96 0 - 5.1-6.9 HA GLN 27 - H LYS 31 far 0 87 0 - 5.2-9.0 HA HIS 67 - H ALA 29 far 0 48 0 - 6.5-15.3 HA SER 94 - H LYS 31 far 0 99 0 - 9.3-25.6 HA HIS 67 - H LYS 31 far 0 99 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 6326 from nnoeabs.peaks (1.96, 8.23, 122.66 ppm; 3.49 A): 3 out of 8 assignments used, quality = 0.99: * HB2 GLU 30 + H LYS 31 OK 98 100 100 98 2.0-3.9 1.8/6327=75, 4.6=43...(17) HB2 GLN 27 + H ALA 29 OK 30 47 85 75 3.6-6.2 6297/4.6=25, 702/3.6=21...(14) HB2 GLU 30 + H ALA 29 OK 22 51 45 95 4.1-5.7 6318/4.6=37, 766=21...(28) HB2 GLN 27 - H LYS 31 poor 20 98 20 - 3.3-8.8 HG LEU 53 - H ALA 29 far 0 36 0 - 7.4-23.8 HB3 ARG 90 - H ALA 29 far 0 50 0 - 8.9-27.5 HB2 PRO 58 - H LYS 31 far 0 99 0 - 9.1-25.6 HB2 PRO 58 - H ALA 29 far 0 49 0 - 9.9-22.5 Violated in 6 structures by 0.02 A. Peak 6327 from nnoeabs.peaks (2.02, 8.23, 122.66 ppm; 3.39 A): 1 out of 16 assignments used, quality = 0.95: * HB3 GLU 30 + H LYS 31 OK 95 100 100 95 3.3-4.4 773=50, 1.8/6326=45...(12) HB VAL 63 - H ALA 29 far 0 50 0 - 5.0-16.5 HB3 GLU 30 - H ALA 29 far 0 51 0 - 5.7-6.5 HB VAL 20 - H LYS 31 far 0 87 0 - 5.7-19.5 HB2 GLU 44 - H ALA 29 far 0 50 0 - 5.9-22.1 HB2 GLU 44 - H LYS 31 far 0 100 0 - 6.7-20.9 HB VAL 20 - H ALA 29 far 0 38 0 - 7.3-19.9 QE MET 11 - H ALA 29 far 0 35 0 - 7.6-24.7 HG2 PRO 58 - H LYS 31 far 0 99 0 - 7.9-27.2 HG2 PRO 58 - H ALA 29 far 0 49 0 - 8.1-24.3 QE MET 11 - H LYS 31 far 0 81 0 - 9.0-26.2 HB3 MET 11 - H ALA 29 far 0 50 0 - 9.2-29.0 HB3 LEU 53 - H ALA 29 far 0 28 0 - 9.4-25.6 HB3 MET 11 - H LYS 31 far 0 100 0 - 9.6-30.8 HB3 GLU 40 - H LYS 31 far 0 90 0 - 9.9-23.9 HB VAL 63 - H LYS 31 far 0 100 0 - 10.0-18.7 Violated in 19 structures by 0.27 A. Peak 6328 from nnoeabs.peaks (2.29, 8.23, 122.66 ppm; 4.53 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLU 30 + H LYS 31 OK 100 100 100 100 1.9-4.6 3.0/6327=83, 4.9=79...(11) HG2 GLU 30 + H ALA 29 OK 40 51 80 99 3.7-6.7 6320/4.6=55...(25) HB3 GLN 101 - H ALA 29 far 2 44 5 - 5.8-22.1 HG2 GLU 97 - H ALA 29 far 2 41 5 - 4.2-23.5 HB VAL 105 - H ALA 29 far 0 33 0 - 6.5-27.2 HG2 GLN 61 - H ALA 29 far 0 49 0 - 6.6-20.2 HG2 GLN 61 - H LYS 31 far 0 99 0 - 8.0-23.0 HG2 GLU 97 - H LYS 31 far 0 90 0 - 9.2-23.9 HB3 GLN 101 - H LYS 31 far 0 95 0 - 9.9-22.9 Violated in 0 structures by 0.00 A. Peak 6329 from nnoeabs.peaks (2.33, 8.23, 122.66 ppm; 4.56 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLU 30 + H LYS 31 OK 100 100 100 100 1.9-4.7 3.0/6327=84, 4.9=80...(15) HG3 GLU 30 + H ALA 29 OK 50 51 100 99 3.5-5.3 6321/4.6=58...(27) HG3 GLN 27 - H LYS 31 poor 20 65 30 - 3.2-10.8 HG2 GLN 27 - H ALA 29 poor 17 35 50 - 4.5-8.8 HG2 GLN 27 - H LYS 31 poor 16 81 20 - 4.9-10.8 HG3 GLN 27 - H ALA 29 poor 16 27 60 - 4.4-7.9 HG2 GLU 44 - H ALA 29 far 7 49 15 - 3.5-23.3 HG3 GLN 68 - H LYS 31 far 5 99 5 - 5.3-15.7 HG3 GLN 68 - H ALA 29 far 0 48 0 - 6.3-14.9 HG2 GLU 44 - H LYS 31 far 0 99 0 - 6.7-23.0 HG2 GLU 102 - H ALA 29 far 0 27 0 - 8.3-25.1 HB VAL 77 - H ALA 29 far 0 50 0 - 9.6-25.1 Violated in 0 structures by 0.00 A. Peak 6330 from nnoeabs.peaks (4.28, 8.23, 122.66 ppm; 3.22 A): 1 out of 28 assignments used, quality = 1.00: * HA LYS 31 + H LYS 31 OK 100 100 100 100 2.8-2.9 3.0=100 HA THR 25 - H LYS 31 far 14 93 15 - 4.4-12.0 HA LYS 26 - H ALA 29 poor 12 48 25 - 3.4-9.7 HA LYS 26 - H LYS 31 poor 9 99 25 38 1.9-12.2 788=7, 3.0/799=6...(15) HA THR 18 - H LYS 31 far 5 92 5 - 3.4-24.0 HA THR 25 - H ALA 29 far 4 43 10 - 4.2-10.5 HA ARG 23 - H ALA 29 far 2 47 5 - 4.5-12.4 HA ALA 15 - H LYS 31 far 0 99 0 - 4.7-25.4 HA ARG 23 - H LYS 31 far 0 98 0 - 5.3-16.5 HA GLN 61 - H ALA 29 far 0 50 0 - 5.4-19.6 HA GLN 61 - H LYS 31 far 0 100 0 - 5.5-22.0 HA SER 74 - H ALA 29 far 0 43 0 - 5.5-23.1 HA LYS 19 - H LYS 31 far 0 97 0 - 6.0-23.5 HA LEU 22 - H ALA 29 far 0 47 0 - 6.2-15.4 HA ALA 16 - H LYS 31 far 0 100 0 - 6.3-24.6 HA ALA 21 - H ALA 29 far 0 44 0 - 6.3-17.2 HA LYS 31 - H ALA 29 far 0 51 0 - 6.5-8.1 HA ALA 108 - H ALA 29 far 0 51 0 - 6.8-28.8 HA SER 74 - H LYS 31 far 0 93 0 - 6.9-23.8 HA LYS 36 - H ALA 29 far 0 50 0 - 7.2-18.0 HA LEU 22 - H LYS 31 far 0 98 0 - 7.8-18.3 HA LYS 19 - H ALA 29 far 0 47 0 - 7.9-20.7 HA THR 18 - H ALA 29 far 0 42 0 - 8.0-22.4 HA ALA 21 - H LYS 31 far 0 95 0 - 8.1-18.4 HA ALA 15 - H ALA 29 far 0 48 0 - 8.4-24.9 HA LYS 36 - H LYS 31 far 0 100 0 - 8.6-15.4 HA ALA 12 - H LYS 31 far 0 99 0 - 8.9-27.1 HA ALA 108 - H LYS 31 far 0 100 0 - 9.2-30.0 Violated in 0 structures by 0.00 A. Peak 6331 from nnoeabs.peaks (1.74, 8.23, 122.66 ppm; 2.78 A): 1 out of 11 assignments used, quality = 0.95: * HB2 LYS 31 + H LYS 31 OK 95 100 100 95 2.2-3.6 799=62, 1.8/6332=57...(24) HB2 LYS 26 - H LYS 31 poor 9 99 30 31 2.7-11.8 799=9, 1.8/6332=5...(13) HB2 LYS 26 - H ALA 29 far 7 49 15 - 3.4-8.3 HB2 LYS 19 - H LYS 31 far 5 99 5 - 3.0-23.0 HB2 ARG 23 - H ALA 29 far 2 45 5 - 4.0-14.9 HB2 LYS 31 - H ALA 29 far 0 51 0 - 5.3-8.3 HB2 ARG 23 - H LYS 31 far 0 96 0 - 5.6-18.1 HB2 LYS 24 - H LYS 31 far 0 100 0 - 5.6-16.3 HB2 LYS 24 - H ALA 29 far 0 50 0 - 6.1-12.0 HB2 LYS 19 - H ALA 29 far 0 49 0 - 6.9-21.1 HB3 LEU 70 - H ALA 29 far 0 24 0 - 8.3-16.5 Violated in 13 structures by 0.38 A. Peak 6332 from nnoeabs.peaks (1.81, 8.23, 122.66 ppm; 2.87 A): 1 out of 19 assignments used, quality = 0.94: * HB3 LYS 31 + H LYS 31 OK 94 100 100 94 2.1-3.7 1.8/6331=63, 810=47...(27) HB3 LYS 26 - H LYS 31 poor 9 99 30 29 3.2-12.9 1.8/799=7, 810=6...(12) HB ILE 32 - H ALA 29 far 2 49 5 - 4.3-8.2 HB3 LYS 26 - H ALA 29 far 2 49 5 - 4.1-9.5 HB3 LYS 19 - H LYS 31 far 0 100 0 - 4.4-24.3 HB ILE 32 - H LYS 31 far 0 99 0 - 4.5-5.9 HB3 ARG 23 - H ALA 29 far 0 46 0 - 4.6-14.2 HB3 ARG 23 - H LYS 31 far 0 97 0 - 4.8-17.9 HB3 LYS 24 - H ALA 29 far 0 50 0 - 5.0-11.9 HB3 LYS 31 - H ALA 29 far 0 51 0 - 5.5-9.0 HB3 LYS 24 - H LYS 31 far 0 100 0 - 5.8-15.7 HB3 LYS 19 - H ALA 29 far 0 51 0 - 6.3-20.8 HB2 LYS 36 - H ALA 29 far 0 50 0 - 6.5-17.8 HB2 LYS 36 - H LYS 31 far 0 100 0 - 7.1-15.1 HB VAL 93 - H ALA 29 far 0 41 0 - 7.1-23.5 HB2 LEU 100 - H ALA 29 far 0 47 0 - 9.1-18.1 HB3 LEU 98 - H ALA 29 far 0 27 0 - 9.2-24.5 HB3 LEU 103 - H ALA 29 far 0 37 0 - 9.3-20.4 HB VAL 93 - H LYS 31 far 0 90 0 - 9.9-24.6 Violated in 13 structures by 0.28 A. Peak 6333 from nnoeabs.peaks (1.44, 8.23, 122.66 ppm; 3.95 A): 3 out of 15 assignments used, quality = 1.00: * HG2 LYS 31 + H LYS 31 OK 100 100 100 100 1.7-4.9 3.0/6331=73, 3.0/6332=72...(50) HG13 ILE 32 + H LYS 31 OK 92 100 95 97 3.2-5.6 919/4.7=44, 2.1/10802=36...(18) HG13 ILE 32 + H ALA 29 OK 40 50 80 100 2.0-6.9 ~10737=32, ~10738=32...(34) HG2 LYS 26 - H LYS 31 poor 19 98 30 63 2.8-14.2 3.0/799=9, 3.0/6332=7...(24) HG2 LYS 26 - H ALA 29 poor 12 47 25 - 4.6-10.3 HG3 LYS 19 - H LYS 31 far 5 100 5 - 4.4-25.4 HG3 LYS 24 - H ALA 29 far 2 50 5 - 5.1-13.1 HG2 LYS 31 - H ALA 29 far 0 51 0 - 5.5-9.6 HG3 LYS 24 - H LYS 31 far 0 100 0 - 6.4-15.4 HG3 LYS 36 - H ALA 29 far 0 29 0 - 6.7-16.1 HG3 LYS 36 - H LYS 31 far 0 71 0 - 6.8-13.2 HG3 LYS 19 - H ALA 29 far 0 50 0 - 7.5-22.9 QB ALA 34 - H LYS 31 far 0 76 0 - 8.4-10.9 QB ALA 34 - H ALA 29 far 0 32 0 - 9.6-13.0 QB ALA 92 - H ALA 29 far 0 45 0 - 9.9-20.2 Violated in 0 structures by 0.00 A. Peak 6334 from nnoeabs.peaks (1.39, 8.23, 122.66 ppm; 3.34 A): 4 out of 27 assignments used, quality = 1.00: * HG3 LYS 31 + H LYS 31 OK 98 100 100 98 1.7-4.8 3.0/6331=56, 3.0/6332=55...(48) QB ALA 28 + H LYS 31 OK 48 99 70 69 3.1-5.7 10792/4.9=17...(12) QB ALA 29 + H ALA 29 OK 47 47 100 100 2.2-3.0 2.9=100 QB ALA 28 + H ALA 29 OK 46 49 100 95 2.6-3.7 3.7=73, 6304/4.6=34...(21) HG3 LYS 26 - H LYS 31 poor 20 98 20 - 2.8-13.2 QB ALA 29 - H LYS 31 poor 19 97 20 - 4.0-5.6 QB ALA 15 - H LYS 31 far 15 99 15 - 3.9-21.1 HG3 LYS 26 - H ALA 29 poor 9 47 20 - 3.7-9.7 HG3 LYS 31 - H ALA 29 far 3 51 5 - 4.6-9.3 QB ALA 108 - H ALA 29 far 2 49 5 - 4.4-23.0 HG2 LYS 19 - H LYS 31 far 0 68 0 - 5.4-24.1 QB ALA 16 - H LYS 31 far 0 93 0 - 6.2-20.8 HG2 LYS 24 - H ALA 29 far 0 46 0 - 6.4-13.1 HG LEU 96 - H ALA 29 far 0 49 0 - 7.0-20.3 HG2 LYS 24 - H LYS 31 far 0 97 0 - 7.1-17.0 QB ALA 15 - H ALA 29 far 0 48 0 - 7.6-21.3 QB ALA 108 - H LYS 31 far 0 99 0 - 7.9-24.2 HG2 LYS 36 - H LYS 31 far 0 97 0 - 8.1-12.6 HG2 LYS 36 - H ALA 29 far 0 47 0 - 8.1-15.6 QB ALA 34 - H LYS 31 far 0 63 0 - 8.4-10.9 QB ALA 110 - H ALA 29 far 0 48 0 - 8.5-27.5 HG2 LYS 19 - H ALA 29 far 0 28 0 - 9.0-22.8 QB ALA 109 - H ALA 29 far 0 50 0 - 9.3-25.2 QB ALA 109 - H LYS 31 far 0 100 0 - 9.4-25.3 QB ALA 34 - H ALA 29 far 0 25 0 - 9.6-13.0 HB3 LEU 100 - H ALA 29 far 0 46 0 - 9.7-18.2 HB2 LEU 96 - H ALA 29 far 0 47 0 - 9.9-19.8 Violated in 0 structures by 0.00 A. Peak 6335 from nnoeabs.peaks (1.66, 8.23, 122.66 ppm; 4.71 A): 4 out of 22 assignments used, quality = 1.00: HD3 LYS 31 + H LYS 31 OK 100 100 100 100 1.9-5.5 3.5/6331=80, 3.5/6332=80...(72) * HD2 LYS 31 + H LYS 31 OK 100 100 100 100 2.9-6.0 3.5/6331=80, 3.5/6332=80...(72) HD3 LYS 26 + H LYS 31 OK 27 100 40 68 3.4-14.6 3.5/799=10, 2.9/821=8...(37) HD2 LYS 26 + H LYS 31 OK 25 100 35 71 3.6-14.3 3.5/799=10, 2.9/821=8...(40) HD2 LYS 31 - H ALA 29 poor 15 51 30 - 3.6-10.4 HD3 LYS 31 - H ALA 29 poor 15 51 30 - 4.2-9.8 HD2 LYS 26 - H ALA 29 poor 10 51 20 - 2.6-11.1 HD3 LYS 26 - H ALA 29 far 8 50 15 - 3.4-11.4 HD3 LYS 19 - H LYS 31 far 5 96 5 - 3.2-26.4 HD2 LYS 19 - H LYS 31 far 5 96 5 - 3.9-25.1 HD2 LYS 36 - H LYS 31 far 0 98 0 - 6.3-11.0 HD2 LYS 24 - H LYS 31 far 0 100 0 - 6.4-15.5 HD3 LYS 24 - H ALA 29 far 0 51 0 - 6.6-12.6 HD3 LYS 19 - H ALA 29 far 0 45 0 - 6.8-23.4 HD2 LYS 24 - H ALA 29 far 0 51 0 - 6.8-13.5 HD3 LYS 36 - H ALA 29 far 0 47 0 - 6.9-14.4 HD2 LYS 36 - H ALA 29 far 0 47 0 - 6.9-13.7 HD3 LYS 36 - H LYS 31 far 0 98 0 - 7.1-12.2 HD3 LYS 24 - H LYS 31 far 0 100 0 - 7.1-16.5 HD2 LYS 19 - H ALA 29 far 0 45 0 - 7.8-22.6 HB2 LEU 98 - H ALA 29 far 0 47 0 - 8.0-25.7 HB2 LEU 69 - H ALA 29 far 0 48 0 - 8.5-14.6 Violated in 0 structures by 0.00 A. Peak 6336 from nnoeabs.peaks (1.66, 8.23, 122.66 ppm; 4.71 A): 4 out of 22 assignments used, quality = 1.00: * HD3 LYS 31 + H LYS 31 OK 100 100 100 100 1.9-5.5 3.5/6331=80, 3.5/6332=80...(72) HD2 LYS 31 + H LYS 31 OK 100 100 100 100 2.9-6.0 3.5/6331=80, 3.5/6332=80...(72) HD3 LYS 26 + H LYS 31 OK 27 100 40 68 3.4-14.6 3.5/799=10, 2.9/821=8...(37) HD2 LYS 26 + H LYS 31 OK 25 100 35 71 3.6-14.3 3.5/799=10, 2.9/821=8...(40) HD3 LYS 31 - H ALA 29 poor 15 51 30 - 4.2-9.8 HD2 LYS 31 - H ALA 29 poor 15 51 30 - 3.6-10.4 HD2 LYS 26 - H ALA 29 poor 10 51 20 - 2.6-11.1 HD3 LYS 26 - H ALA 29 far 8 50 15 - 3.4-11.4 HD3 LYS 19 - H LYS 31 far 5 97 5 - 3.2-26.4 HD2 LYS 19 - H LYS 31 far 5 97 5 - 3.9-25.1 HD2 LYS 36 - H LYS 31 far 0 97 0 - 6.3-11.0 HD2 LYS 24 - H LYS 31 far 0 100 0 - 6.4-15.5 HD3 LYS 24 - H ALA 29 far 0 51 0 - 6.6-12.6 HD3 LYS 19 - H ALA 29 far 0 46 0 - 6.8-23.4 HD2 LYS 24 - H ALA 29 far 0 51 0 - 6.8-13.5 HD3 LYS 36 - H ALA 29 far 0 47 0 - 6.9-14.4 HD2 LYS 36 - H ALA 29 far 0 47 0 - 6.9-13.7 HD3 LYS 36 - H LYS 31 far 0 97 0 - 7.1-12.2 HD3 LYS 24 - H LYS 31 far 0 100 0 - 7.1-16.5 HD2 LYS 19 - H ALA 29 far 0 46 0 - 7.8-22.6 HB2 LEU 98 - H ALA 29 far 0 48 0 - 8.0-25.7 HB2 LEU 69 - H ALA 29 far 0 47 0 - 8.5-14.6 Violated in 0 structures by 0.00 A. Peak 6337 from nnoeabs.peaks (2.96, 8.23, 122.66 ppm; 6.80 A): 5 out of 22 assignments used, quality = 1.00: * HE2 LYS 31 + H LYS 31 OK 100 100 100 100 2.1-6.5 4.8/6332=90, 4.8/6331=90...(55) HE3 LYS 31 + H LYS 31 OK 100 100 100 100 3.8-6.4 4.8/6332=90, 4.8/6331=90...(55) HE2 LYS 26 + H LYS 31 OK 51 100 60 85 4.5-16.1 3.6/821=11, 4.8/799=11...(56) HE3 LYS 26 + H LYS 31 OK 51 100 60 85 4.7-16.1 3.6/821=11, 4.8/799=11...(56) HE3 LYS 36 + H LYS 31 OK 22 100 65 33 6.1-13.3 10813/10802=11...(7) HE2 LYS 24 - H LYS 31 poor 20 98 20 - 4.8-17.2 HE3 LYS 36 - H ALA 29 poor 18 50 35 - 5.3-15.8 HE2 LYS 36 - H ALA 29 poor 15 49 30 - 5.5-15.1 HE2 LYS 36 - H LYS 31 poor 13 99 40 34 5.8-13.2 10813/10802=12...(6) HB2 CYS 45 - H LYS 31 far 12 78 15 - 7.1-17.2 HB2 CYS 45 - H ALA 29 poor 12 33 35 - 6.0-17.3 HE2 LYS 26 - H ALA 29 poor 9 50 65 29 3.4-12.3 3.6/821=5, 4.8/799=5...(8) HE3 LYS 26 - H ALA 29 poor 9 50 60 29 3.0-12.5 3.6/821=5, 4.8/799=5...(8) HE3 LYS 31 - H ALA 29 poor 7 50 45 32 5.5-10.4 9008/934=4, 3.7/832=3...(8) HE2 LYS 31 - H ALA 29 poor 7 51 40 33 6.2-10.2 10804/934=4, 3.7/832=3...(10) HE3 LYS 19 - H LYS 31 far 5 100 5 - 5.7-25.3 HE3 LYS 24 - H ALA 29 far 5 50 10 - 8.1-14.1 HE3 LYS 24 - H LYS 31 far 5 100 5 - 6.3-17.7 HE2 LYS 19 - H LYS 31 far 5 99 5 - 6.0-25.6 HE2 LYS 24 - H ALA 29 far 5 47 10 - 6.9-13.4 HE3 LYS 19 - H ALA 29 far 0 51 0 - 8.9-23.1 HE2 LYS 19 - H ALA 29 far 0 49 0 - 9.8-23.8 Violated in 0 structures by 0.00 A. Peak 6338 from nnoeabs.peaks (2.97, 8.23, 122.66 ppm; 6.80 A): 5 out of 22 assignments used, quality = 1.00: * HE3 LYS 31 + H LYS 31 OK 100 100 100 100 3.8-6.4 4.8/6332=90, 4.8/6331=90...(55) HE2 LYS 31 + H LYS 31 OK 100 100 100 100 2.1-6.5 4.8/6332=90, 4.8/6331=90...(55) HE2 LYS 26 + H LYS 31 OK 51 100 60 85 4.5-16.1 3.6/821=11, 4.8/799=11...(56) HE3 LYS 26 + H LYS 31 OK 51 100 60 85 4.7-16.1 3.6/821=11, 4.8/799=11...(56) HE3 LYS 36 + H LYS 31 OK 21 99 65 33 6.1-13.3 10813/10802=11...(7) HE2 LYS 24 - H LYS 31 poor 19 96 20 - 4.8-17.2 HE3 LYS 36 - H ALA 29 poor 17 49 35 - 5.3-15.8 HE2 LYS 36 - H ALA 29 poor 14 47 30 - 5.5-15.1 HE2 LYS 36 - H LYS 31 poor 13 97 40 33 5.8-13.2 10813/10802=11...(5) HB2 CYS 45 - H LYS 31 far 11 71 15 - 7.1-17.2 HB2 CYS 45 - H ALA 29 poor 10 29 35 - 6.0-17.3 HE2 LYS 26 - H ALA 29 poor 10 51 65 29 3.4-12.3 3.6/821=5, 4.8/799=5...(8) HE3 LYS 26 - H ALA 29 poor 9 51 60 29 3.0-12.5 3.6/821=5, 4.8/799=5...(8) HE3 LYS 31 - H ALA 29 poor 7 51 45 32 5.5-10.4 9008/934=4, 3.7/832=3...(8) HE2 LYS 31 - H ALA 29 poor 7 50 40 33 6.2-10.2 10804/934=4, 3.7/832=3...(9) HE3 LYS 19 - H LYS 31 far 5 100 5 - 5.7-25.3 HE3 LYS 24 - H LYS 31 far 5 99 5 - 6.3-17.7 HE2 LYS 19 - H LYS 31 far 5 98 5 - 6.0-25.6 HE3 LYS 24 - H ALA 29 far 5 49 10 - 8.1-14.1 HE2 LYS 24 - H ALA 29 far 4 45 10 - 6.9-13.4 HE3 LYS 19 - H ALA 29 far 0 50 0 - 8.9-23.1 HE2 LYS 19 - H ALA 29 far 0 47 0 - 9.8-23.8 Violated in 0 structures by 0.00 A. Peak 6339 from nnoeabs.peaks (8.14, 8.23, 122.66 ppm; 5.58 A): 2 out of 8 assignments used, quality = 1.00: * H ILE 32 + H LYS 31 OK 100 100 100 100 2.0-3.0 4.7=100 H ILE 32 + H ALA 29 OK 50 51 100 100 3.6-6.4 ~10820=57, ~10753=56...(16) H ALA 15 - H LYS 31 far 5 100 5 - 4.2-25.6 H ASP 71 - H ALA 29 far 0 50 0 - 7.8-16.8 H LEU 22 - H ALA 29 far 0 48 0 - 7.8-15.7 H LEU 22 - H LYS 31 far 0 99 0 - 8.4-18.7 H ASP 71 - H LYS 31 far 0 100 0 - 8.8-16.8 H ALA 15 - H ALA 29 far 0 50 0 - 9.1-26.6 Violated in 0 structures by 0.00 A. Peak 6340 from nnoeabs.peaks (8.14, 8.14, 122.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 32 + H ILE 32 OK 100 100 - 100 Peak 6341 from nnoeabs.peaks (8.23, 8.14, 122.30 ppm; 5.58 A): 4 out of 6 assignments used, quality = 1.00: * H LYS 31 + H ILE 32 OK 100 100 100 100 2.0-3.0 4.7=100 H SER 33 + H ILE 32 OK 100 100 100 100 4.2-4.6 4.6=100 H ALA 29 + H ILE 32 OK 92 92 100 100 3.6-6.4 ~10820=57, ~10753=56...(16) H GLU 30 + H ILE 32 OK 60 60 100 99 2.5-4.4 4.0/10829=72...(14) H ARG 23 - H ILE 32 far 0 96 0 - 8.6-19.3 H SER 107 - H ILE 32 far 0 100 0 - 9.3-25.4 Violated in 0 structures by 0.00 A. Peak 6342 from nnoeabs.peaks (4.28, 8.14, 122.30 ppm; 2.50 A): 1 out of 15 assignments used, quality = 0.69: * HA LYS 31 + H ILE 32 OK 69 100 100 69 2.6-3.5 798=47, 3.0/809=17...(10) HA LYS 26 - H ILE 32 poor 5 99 25 20 2.9-13.0 3.0/809=5, 798=4...(7) HA THR 25 - H ILE 32 far 5 93 5 - 3.8-14.0 HA GLN 61 - H ILE 32 far 0 100 0 - 4.8-21.0 HA THR 18 - H ILE 32 far 0 92 0 - 5.9-25.9 HA ALA 15 - H ILE 32 far 0 99 0 - 6.4-25.1 HA LYS 36 - H ILE 32 far 0 100 0 - 6.4-12.7 HA SER 74 - H ILE 32 far 0 93 0 - 6.5-21.0 HA ARG 23 - H ILE 32 far 0 98 0 - 7.1-17.7 HA ALA 16 - H ILE 32 far 0 100 0 - 7.8-26.0 HA LYS 19 - H ILE 32 far 0 97 0 - 8.0-25.1 HA ALA 12 - H ILE 32 far 0 99 0 - 9.0-27.2 HA ALA 108 - H ILE 32 far 0 100 0 - 9.1-28.7 HA LEU 22 - H ILE 32 far 0 98 0 - 9.7-20.5 HA ALA 21 - H ILE 32 far 0 95 0 - 9.7-20.2 Violated in 20 structures by 0.75 A. Peak 6343 from nnoeabs.peaks (1.74, 8.14, 122.30 ppm; 4.18 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 31 + H ILE 32 OK 100 100 100 100 2.9-4.5 3.0/6342=83, 809=77...(15) HB2 LYS 26 + H ILE 32 OK 34 99 45 76 2.6-13.1 809=23, 10733/10819=14...(21) HB2 LYS 19 - H ILE 32 far 5 99 5 - 5.2-24.3 HB2 ARG 23 - H ILE 32 far 0 96 0 - 6.6-19.1 HB2 LYS 24 - H ILE 32 far 0 100 0 - 6.7-18.3 HB3 LEU 70 - H ILE 32 far 0 60 0 - 8.7-15.9 Violated in 1 structures by 0.00 A. Peak 6344 from nnoeabs.peaks (1.81, 8.14, 122.30 ppm; 2.83 A): 2 out of 8 assignments used, quality = 1.00: HB ILE 32 + H ILE 32 OK 99 99 100 100 2.4-3.3 895=77, 2.1/6353=48...(29) * HB3 LYS 31 + H ILE 32 OK 37 100 45 81 2.7-4.6 3.0/6342=45, 1.8/809=30...(11) HB3 LYS 26 - H ILE 32 poor 10 99 30 35 3.3-13.2 1.8/809=9, 889/6351=6...(11) HB2 LYS 36 - H ILE 32 far 0 100 0 - 4.9-12.4 HB3 LYS 24 - H ILE 32 far 0 100 0 - 6.8-17.6 HB3 LYS 19 - H ILE 32 far 0 100 0 - 6.8-25.6 HB3 ARG 23 - H ILE 32 far 0 97 0 - 7.0-18.9 HB VAL 93 - H ILE 32 far 0 90 0 - 10.0-21.9 Violated in 7 structures by 0.06 A. Peak 6345 from nnoeabs.peaks (1.44, 8.14, 122.30 ppm; 3.26 A): 2 out of 7 assignments used, quality = 1.00: HG13 ILE 32 + H ILE 32 OK 100 100 100 100 1.6-3.5 919=96, 1.8/6354=75...(26) * HG2 LYS 31 + H ILE 32 OK 24 100 30 80 3.8-6.0 3.8/6342=44, 3.0/809=32...(11) HG2 LYS 26 - H ILE 32 poor 20 98 20 - 2.6-15.3 HG3 LYS 36 - H ILE 32 far 0 71 0 - 4.8-10.5 QB ALA 34 - H ILE 32 far 0 76 0 - 6.4-8.9 HG3 LYS 19 - H ILE 32 far 0 100 0 - 7.0-26.9 HG3 LYS 24 - H ILE 32 far 0 100 0 - 8.8-17.1 Violated in 2 structures by 0.01 A. Peak 6346 from nnoeabs.peaks (1.39, 8.14, 122.30 ppm; 4.88 A): 4 out of 12 assignments used, quality = 1.00: * HG3 LYS 31 + H ILE 32 OK 99 100 100 99 2.5-5.8 3.8/6342=84, 3.0/809=65...(18) QB ALA 29 + H ILE 32 OK 97 97 100 100 3.5-5.2 10790/895=70, ~10820=53...(13) QB ALA 28 + H ILE 32 OK 63 99 80 80 4.4-7.2 4.7/202=29...(10) HG3 LYS 26 + H ILE 32 OK 40 98 50 81 2.5-15.0 3.0/6343=20, 4.0/798=14...(21) QB ALA 15 - H ILE 32 far 15 99 15 - 4.3-21.5 HG2 LYS 36 - H ILE 32 far 15 97 15 - 5.8-9.9 QB ALA 34 - H ILE 32 far 0 63 0 - 6.4-8.9 QB ALA 16 - H ILE 32 far 0 93 0 - 6.9-20.7 HG2 LYS 19 - H ILE 32 far 0 68 0 - 7.7-25.6 HG2 LYS 24 - H ILE 32 far 0 97 0 - 7.9-18.8 QB ALA 108 - H ILE 32 far 0 99 0 - 8.8-23.2 QB ALA 109 - H ILE 32 far 0 100 0 - 9.6-24.6 Violated in 0 structures by 0.00 A. Peak 6347 from nnoeabs.peaks (1.66, 8.14, 122.30 ppm; 6.71 A): 6 out of 11 assignments used, quality = 1.00: HD3 LYS 31 + H ILE 32 OK 100 100 100 100 1.8-6.9 5.2/6342=91, 3.5/809=77...(18) * HD2 LYS 31 + H ILE 32 OK 100 100 100 100 3.5-6.5 5.2/6342=91, 3.5/809=77...(17) HD2 LYS 36 + H ILE 32 OK 80 98 85 96 3.4-8.6 10837/6353=35...(14) HD3 LYS 36 + H ILE 32 OK 80 98 85 96 4.2-9.7 10837/6353=33...(14) HD2 LYS 26 + H ILE 32 OK 60 100 65 92 2.5-15.6 3.5/6343=25, 5.0/798=21...(22) HD3 LYS 26 + H ILE 32 OK 55 100 60 92 2.1-15.1 3.5/6343=25, 5.0/798=21...(22) HD3 LYS 24 - H ILE 32 far 5 100 5 - 7.6-18.0 HD3 LYS 19 - H ILE 32 far 5 96 5 - 5.3-27.7 HD2 LYS 19 - H ILE 32 far 5 96 5 - 5.5-26.3 HD2 LYS 24 - H ILE 32 far 0 100 0 - 8.6-17.1 HB2 LEU 69 - H ILE 32 far 0 99 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 6348 from nnoeabs.peaks (1.66, 8.14, 122.30 ppm; 6.71 A): 6 out of 11 assignments used, quality = 1.00: * HD3 LYS 31 + H ILE 32 OK 100 100 100 100 1.8-6.9 5.2/6342=91, 3.5/809=77...(18) HD2 LYS 31 + H ILE 32 OK 100 100 100 100 3.5-6.5 5.2/6342=91, 3.5/809=77...(17) HD2 LYS 36 + H ILE 32 OK 79 97 85 96 3.4-8.6 10837/6353=34, ~10762=30...(14) HD3 LYS 36 + H ILE 32 OK 79 97 85 95 4.2-9.7 10837/6353=33...(14) HD2 LYS 26 + H ILE 32 OK 60 100 65 92 2.5-15.6 3.5/6343=25, 5.0/798=21...(22) HD3 LYS 26 + H ILE 32 OK 55 100 60 92 2.1-15.1 3.5/6343=25, 5.0/798=21...(22) HD3 LYS 24 - H ILE 32 far 5 100 5 - 7.6-18.0 HD3 LYS 19 - H ILE 32 far 5 97 5 - 5.3-27.7 HD2 LYS 19 - H ILE 32 far 5 97 5 - 5.5-26.3 HD2 LYS 24 - H ILE 32 far 0 100 0 - 8.6-17.1 HB2 LEU 69 - H ILE 32 far 0 98 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 6351 from nnoeabs.peaks (4.11, 8.14, 122.30 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 32 + H ILE 32 OK 100 100 100 100 2.6-2.9 3.0=100 HA CYS 45 - H ILE 32 far 0 95 0 - 6.4-17.0 HA LEU 49 - H ILE 32 far 0 100 0 - 9.6-20.0 Violated in 0 structures by 0.00 A. Peak 6352 from nnoeabs.peaks (1.82, 8.14, 122.30 ppm; 2.82 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 32 + H ILE 32 OK 100 100 100 100 2.4-3.3 895=77, 2.1/6353=48...(29) HB3 LYS 31 + H ILE 32 OK 36 99 45 81 2.7-4.6 3.0/6342=45, 1.8/809=30...(11) HB3 LYS 26 - H ILE 32 poor 9 100 25 35 3.3-13.2 1.8/809=9, 889/6351=6...(11) HB2 LYS 36 - H ILE 32 far 0 100 0 - 4.9-12.4 HB3 LYS 24 - H ILE 32 far 0 100 0 - 6.8-17.6 HB3 LYS 19 - H ILE 32 far 0 99 0 - 6.8-25.6 HB3 ARG 23 - H ILE 32 far 0 100 0 - 7.0-18.9 HB VAL 93 - H ILE 32 far 0 97 0 - 10.0-21.9 Violated in 7 structures by 0.06 A. Peak 6353 from nnoeabs.peaks (0.85, 8.14, 122.30 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 32 + H ILE 32 OK 100 100 100 100 3.4-3.8 903=82, 2.1/895=69...(20) QD2 LEU 69 - H ILE 32 far 0 92 0 - 5.9-12.8 QD2 LEU 70 - H ILE 32 far 0 100 0 - 6.7-13.8 Violated in 20 structures by 0.41 A. Peak 6354 from nnoeabs.peaks (1.16, 8.14, 122.30 ppm; 3.08 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 32 + H ILE 32 OK 100 100 100 100 1.6-3.5 911=76, 1.8/919=62...(28) QG2 THR 25 - H ILE 32 far 7 71 10 - 4.0-12.6 QB ALA 41 - H ILE 32 far 0 99 0 - 5.2-13.1 QG2 THR 18 - H ILE 32 far 0 98 0 - 6.2-23.1 QG2 VAL 77 - H ILE 32 far 0 85 0 - 9.7-20.8 Violated in 6 structures by 0.06 A. Peak 6355 from nnoeabs.peaks (1.44, 8.14, 122.30 ppm; 3.26 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 32 + H ILE 32 OK 100 100 100 100 1.6-3.5 919=97, 1.8/6354=75...(26) HG2 LYS 31 + H ILE 32 OK 24 100 30 80 3.8-6.0 3.8/6342=44, 3.0/809=32...(11) HG2 LYS 26 - H ILE 32 poor 20 99 20 - 2.6-15.3 HG3 LYS 36 - H ILE 32 far 0 63 0 - 4.8-10.5 QB ALA 34 - H ILE 32 far 0 83 0 - 6.4-8.9 HG3 LYS 19 - H ILE 32 far 0 100 0 - 7.0-26.9 HG3 LYS 24 - H ILE 32 far 0 99 0 - 8.8-17.1 Violated in 2 structures by 0.01 A. Peak 6356 from nnoeabs.peaks (0.78, 8.14, 122.30 ppm; 3.66 A): 1 out of 7 assignments used, quality = 1.00: * QD1 ILE 32 + H ILE 32 OK 100 100 100 100 1.9-3.8 2.1/6354=82, 2.1/919=77...(29) QD1 ILE 37 - H ILE 32 far 0 100 0 - 5.6-10.6 QG1 VAL 93 - H ILE 32 far 0 65 0 - 6.9-16.5 QG1 VAL 63 - H ILE 32 far 0 99 0 - 7.1-13.9 QD2 LEU 49 - H ILE 32 far 0 83 0 - 7.3-13.1 QD1 LEU 96 - H ILE 32 far 0 100 0 - 9.5-14.6 QD2 LEU 96 - H ILE 32 far 0 63 0 - 9.5-16.1 Violated in 6 structures by 0.03 A. Peak 6357 from nnoeabs.peaks (8.23, 8.14, 122.30 ppm; 5.58 A): 3 out of 5 assignments used, quality = 1.00: H LYS 31 + H ILE 32 OK 100 100 100 100 2.0-3.0 4.7=100 * H SER 33 + H ILE 32 OK 100 100 100 100 4.2-4.6 4.6=100 H ALA 29 + H ILE 32 OK 90 90 100 100 3.6-6.4 ~10820=57, ~10753=56...(16) H ARG 23 - H ILE 32 far 0 95 0 - 8.6-19.3 H SER 107 - H ILE 32 far 0 100 0 - 9.3-25.4 Violated in 0 structures by 0.00 A. Peak 6358 from nnoeabs.peaks (8.23, 8.23, 119.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 33 + H SER 33 OK 100 100 - 100 Peak 6359 from nnoeabs.peaks (8.14, 8.23, 119.56 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 32 + H SER 33 OK 100 100 100 100 4.2-4.6 4.6=100 H ASP 71 - H SER 33 poor 20 100 20 - 5.5-12.3 H ALA 15 - H SER 33 far 0 100 0 - 8.4-29.6 Violated in 0 structures by 0.00 A. Peak 6360 from nnoeabs.peaks (4.11, 8.23, 119.56 ppm; 2.50 A): 1 out of 2 assignments used, quality = 0.98: * HA ILE 32 + H SER 33 OK 98 100 100 98 2.2-2.9 894=80, 904/6362=30...(20) HA CYS 45 - H SER 33 far 0 95 0 - 7.0-14.8 Violated in 7 structures by 0.07 A. Peak 6361 from nnoeabs.peaks (1.82, 8.23, 119.56 ppm; 3.00 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 32 + H SER 33 OK 100 100 100 100 1.9-4.4 2.1/6362=57, 3.0/6360=54...(22) HB2 LYS 36 + H SER 33 OK 59 100 70 85 2.2-8.0 810=32, 6392/10896=26...(18) HB3 LYS 24 - H SER 33 far 5 100 5 - 2.9-21.3 HB3 LYS 26 - H SER 33 far 0 100 0 - 4.6-17.3 HB3 LYS 31 - H SER 33 far 0 99 0 - 5.7-8.1 HB3 ARG 23 - H SER 33 far 0 100 0 - 6.4-22.6 HB2 CYS 79 - H SER 33 far 0 81 0 - 9.5-20.6 Violated in 11 structures by 0.17 A. Peak 6362 from nnoeabs.peaks (0.85, 8.23, 119.56 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 32 + H SER 33 OK 100 100 100 100 1.7-3.4 910=73, 904/6360=62...(25) QD2 LEU 69 - H SER 33 far 0 92 0 - 7.3-11.6 QD2 LEU 70 - H SER 33 far 0 100 0 - 7.4-14.0 QD2 LEU 22 - H SER 33 far 0 95 0 - 8.7-22.5 Violated in 1 structures by 0.01 A. Peak 6363 from nnoeabs.peaks (1.16, 8.23, 119.56 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + H SER 33 OK 100 100 100 100 3.7-5.1 891/6360=83, 907/6362=76...(20) QB ALA 41 - H SER 33 poor 7 99 30 25 3.3-9.7 9070/6365=15...(4) QG2 THR 25 - H SER 33 far 7 71 10 - 4.3-16.1 QG2 THR 18 - H SER 33 far 0 98 0 - 7.6-26.0 Violated in 16 structures by 0.41 A. Peak 6364 from nnoeabs.peaks (1.44, 8.23, 119.56 ppm; 3.64 A): 3 out of 6 assignments used, quality = 0.98: * HG13 ILE 32 + H SER 33 OK 95 100 95 100 4.2-5.6 920/6360=64, 3.2/6362=60...(18) HG3 LYS 36 + H SER 33 OK 38 63 70 87 1.6-6.2 5.0/10896=25...(17) QB ALA 34 + H SER 33 OK 28 83 35 96 4.4-5.5 2.9/6369=66...(11) HG2 LYS 26 - H SER 33 poor 7 99 25 30 3.3-19.4 892/6360=13, 908/6362=4...(8) HG2 LYS 31 - H SER 33 far 5 100 5 - 5.0-9.1 HG3 LYS 24 - H SER 33 far 5 99 5 - 5.1-20.5 Violated in 12 structures by 0.26 A. Peak 6365 from nnoeabs.peaks (0.78, 8.23, 119.56 ppm; 4.36 A): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 32 + H SER 33 OK 100 100 100 100 3.7-5.3 930/6362=87, 893/6360=86...(23) QD1 ILE 37 + H SER 33 OK 64 100 70 91 3.4-7.2 10873/10868=52...(11) QG1 VAL 63 - H SER 33 far 0 99 0 - 7.9-15.2 QG1 VAL 93 - H SER 33 far 0 65 0 - 8.4-15.5 QD2 LEU 49 - H SER 33 far 0 83 0 - 8.7-12.8 QD1 LEU 96 - H SER 33 far 0 100 0 - 9.2-14.8 Violated in 3 structures by 0.04 A. Peak 6366 from nnoeabs.peaks (4.40, 8.23, 119.56 ppm; 2.98 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 33 + H SER 33 OK 100 100 100 100 2.7-2.9 3.0=100 HA ASP 71 - H SER 33 far 0 85 0 - 5.6-14.6 HA CYS 73 - H SER 33 far 0 96 0 - 8.0-16.2 Violated in 0 structures by 0.00 A. Peak 6367 from nnoeabs.peaks (3.91, 8.23, 119.56 ppm; 3.17 A): 1 out of 5 assignments used, quality = 0.99: * HB2 SER 33 + H SER 33 OK 99 100 100 99 2.8-3.5 1.8/945=67, 4.0=48...(14) HA ALA 41 - H SER 33 far 0 100 0 - 5.2-13.6 HA3 GLY 75 - H SER 33 far 0 99 0 - 5.2-19.0 HA2 GLY 14 - H SER 33 far 0 99 0 - 7.0-30.3 HA3 GLY 14 - H SER 33 far 0 99 0 - 8.1-31.1 Violated in 11 structures by 0.09 A. Peak 6368 from nnoeabs.peaks (3.85, 8.23, 119.56 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 33 + H SER 33 OK 100 100 100 100 2.7-3.6 945=100, 1.8/6367=72...(15) HA LEU 70 - H SER 33 far 0 57 0 - 8.7-14.3 HA GLU 40 - H SER 33 far 0 97 0 - 9.4-16.6 Violated in 11 structures by 0.11 A. Peak 6369 from nnoeabs.peaks (8.43, 8.23, 119.56 ppm; 3.10 A): 1 out of 3 assignments used, quality = 0.99: * H ALA 34 + H SER 33 OK 99 100 100 99 3.1-4.4 6371=66, 939/3.0=57...(14) H SER 74 - H SER 33 far 0 71 0 - 7.4-16.1 H ASN 13 - H SER 33 far 0 100 0 - 9.1-31.6 Violated in 20 structures by 0.86 A. Peak 6370 from nnoeabs.peaks (8.43, 8.43, 125.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 34 + H ALA 34 OK 100 100 - 100 H ALA 12 + H ALA 12 OK 74 74 - 100 Peak 6371 from nnoeabs.peaks (8.23, 8.43, 125.99 ppm; 3.56 A): 1 out of 8 assignments used, quality = 1.00: * H SER 33 + H ALA 34 OK 100 100 100 100 3.1-4.4 6369=100, 3.0/939=71...(14) H ARG 23 - H ALA 12 far 0 74 0 - 7.3-17.8 H SER 107 - H ALA 12 far 0 83 0 - 7.5-52.7 H LYS 31 - H ALA 34 far 0 100 0 - 8.3-10.4 H LYS 31 - H ALA 12 far 0 83 0 - 8.4-28.8 H ARG 23 - H ALA 34 far 0 95 0 - 8.7-27.2 H ALA 29 - H ALA 12 far 0 70 0 - 9.2-27.2 H ALA 29 - H ALA 34 far 0 90 0 - 9.5-13.4 Violated in 16 structures by 0.46 A. Peak 6372 from nnoeabs.peaks (4.40, 8.43, 125.99 ppm; 2.88 A): 2 out of 11 assignments used, quality = 1.00: * HA SER 33 + H ALA 34 OK 100 100 100 100 2.2-3.5 939=100, 3.0/6369=42...(15) HA MET 11 + H ALA 12 OK 40 50 100 80 2.2-2.7 3.6=53, 3.0/139=24...(8) HA ASP 71 - H ALA 34 far 0 85 0 - 4.6-14.8 HA CYS 73 - H ALA 34 far 0 96 0 - 5.1-15.3 HA ASP 78 - H ALA 12 far 0 74 0 - 7.2-47.4 HA SER 9 - H ALA 12 far 0 83 0 - 7.8-9.7 HA ASP 78 - H ALA 34 far 0 95 0 - 7.8-22.4 HA SER 107 - H ALA 12 far 0 79 0 - 8.6-51.3 HA PRO 113 - H ALA 12 far 0 52 0 - 8.6-50.7 HA HIS 5 - H ALA 34 far 0 93 0 - 8.8-50.6 HA SER 33 - H ALA 12 far 0 83 0 - 9.9-32.5 Violated in 0 structures by 0.00 A. Peak 6373 from nnoeabs.peaks (3.91, 8.43, 125.99 ppm; 3.56 A): 1 out of 12 assignments used, quality = 1.00: * HB2 SER 33 + H ALA 34 OK 100 100 100 100 1.7-4.6 944=100, 1.8/949=75...(16) HA2 GLY 14 - H ALA 12 far 4 81 5 - 5.0-9.3 HA3 GLY 75 - H ALA 34 lone 0 99 25 0 4.0-16.7 HA3 GLY 14 - H ALA 12 far 0 80 0 - 5.8-8.7 HB2 SER 107 - H ALA 12 far 0 77 0 - 6.5-51.7 HB3 SER 60 - H ALA 12 far 0 83 0 - 6.5-42.8 HB2 SER 60 - H ALA 12 far 0 83 0 - 7.8-44.5 HA ALA 41 - H ALA 34 far 0 100 0 - 8.1-12.5 HA3 GLY 75 - H ALA 12 far 0 80 0 - 8.9-41.8 HA2 GLY 14 - H ALA 34 far 0 99 0 - 9.0-34.0 HA3 GLY 14 - H ALA 34 far 0 99 0 - 9.4-34.8 HB2 SER 33 - H ALA 12 far 0 83 0 - 9.6-31.9 Violated in 7 structures by 0.11 A. Peak 6374 from nnoeabs.peaks (3.85, 8.43, 125.99 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * HB3 SER 33 + H ALA 34 OK 100 100 100 100 1.9-4.5 949=100, 1.8/944=89...(21) HA LEU 70 - H ALA 34 far 0 57 0 - 8.0-16.2 HB3 SER 33 - H ALA 12 far 0 83 0 - 8.3-31.1 HD2 PRO 81 - H ALA 12 far 0 83 0 - 9.9-47.6 Violated in 1 structures by 0.02 A. Peak 6375 from nnoeabs.peaks (4.22, 8.43, 125.99 ppm; 3.19 A): 1 out of 10 assignments used, quality = 1.00: * HA ALA 34 + H ALA 34 OK 100 100 100 100 2.8-2.9 3.0=100 HB THR 25 - H ALA 12 far 0 56 0 - 5.4-25.4 HA GLU 30 - H ALA 34 far 0 100 0 - 6.3-12.5 HB3 SER 38 - H ALA 34 far 0 100 0 - 6.5-10.3 HA GLU 30 - H ALA 12 far 0 83 0 - 7.7-31.8 HA ALA 28 - H ALA 12 far 0 74 0 - 7.8-27.1 HA HIS 67 - H ALA 34 far 0 99 0 - 8.0-16.9 HA ALA 29 - H ALA 34 far 0 100 0 - 8.3-10.8 HB THR 25 - H ALA 34 far 0 76 0 - 8.7-20.6 HA GLN 27 - H ALA 34 far 0 85 0 - 9.0-16.8 Violated in 0 structures by 0.00 A. Peak 6376 from nnoeabs.peaks (1.42, 8.43, 125.99 ppm; 2.70 A): 1 out of 13 assignments used, quality = 0.98: * QB ALA 34 + H ALA 34 OK 98 100 100 98 2.0-2.4 954=95, 6381/4.6=19...(9) QB ALA 16 - H ALA 12 far 7 73 10 - 3.7-11.2 HG2 LYS 26 - H ALA 34 far 0 93 0 - 4.4-20.7 HG3 LYS 24 - H ALA 34 far 0 65 0 - 4.9-24.0 HG3 LYS 19 - H ALA 12 far 0 52 0 - 5.4-20.8 HG13 ILE 32 - H ALA 34 far 0 83 0 - 6.2-9.1 HG3 LYS 31 - H ALA 34 far 0 63 0 - 6.5-12.0 QB ALA 16 - H ALA 34 far 0 93 0 - 7.3-25.8 HG3 LYS 31 - H ALA 12 far 0 45 0 - 7.8-29.7 HG2 LYS 31 - H ALA 12 far 0 56 0 - 7.8-28.2 HG2 LYS 31 - H ALA 34 far 0 76 0 - 8.1-12.3 HG3 LYS 24 - H ALA 12 far 0 48 0 - 8.2-23.1 HG2 LYS 86 - H ALA 12 far 0 83 0 - 9.9-48.3 Violated in 0 structures by 0.00 A. Peak 6377 from nnoeabs.peaks (8.38, 8.43, 125.99 ppm; 5.58 A): 3 out of 12 assignments used, quality = 1.00: * H ASP 35 + H ALA 34 OK 100 100 100 100 2.2-2.8 4.6=100 H MET 11 + H ALA 12 OK 48 48 100 100 4.5-4.6 4.6=100 H GLY 14 + H ALA 12 OK 47 62 95 80 4.2-7.2 10659/2.9=40, 3.6/169=37...(6) H LYS 26 - H ALA 34 far 5 90 5 - 7.0-18.9 H LYS 24 - H ALA 34 far 4 89 5 - 6.4-24.7 H SER 74 - H ALA 34 lone 0 81 25 2 5.3-15.7 H LYS 26 - H ALA 12 far 0 70 0 - 7.7-25.8 H GLN 27 - H ALA 34 far 0 100 0 - 8.4-17.3 H GLN 27 - H ALA 12 far 0 83 0 - 8.9-26.9 H LYS 24 - H ALA 12 far 0 68 0 - 9.0-19.9 H GLY 14 - H ALA 34 far 0 83 0 - 9.4-33.5 H THR 65 - H ALA 34 far 0 99 0 - 9.9-18.1 Violated in 0 structures by 0.00 A. Peak 6378 from nnoeabs.peaks (8.38, 8.38, 118.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASP 35 + H ASP 35 OK 100 100 - 100 H THR 65 + H THR 65 OK 96 96 - 100 Peak 6379 from nnoeabs.peaks (8.43, 8.38, 118.19 ppm; 5.58 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 34 + H ASP 35 OK 100 100 100 100 2.2-2.8 4.6=100 H SER 74 - H ASP 35 far 0 71 0 - 7.9-15.4 H ASN 13 - H THR 65 far 0 97 0 - 8.9-35.2 H ASP 47 - H THR 65 far 0 63 0 - 9.5-12.7 H ALA 34 - H THR 65 far 0 98 0 - 9.9-18.1 Violated in 0 structures by 0.00 A. Peak 6380 from nnoeabs.peaks (4.22, 8.38, 118.19 ppm; 2.98 A): 1 out of 13 assignments used, quality = 0.95: * HA ALA 34 + H ASP 35 OK 95 100 100 95 3.2-3.6 2.1/6381=65, 953=61...(10) HA GLU 30 - H THR 65 far 5 98 5 - 4.2-17.4 HB THR 25 - H THR 65 far 0 71 0 - 4.7-23.8 HB3 SER 38 - H ASP 35 far 0 100 0 - 5.0-9.2 HA ALA 29 - H THR 65 far 0 97 0 - 5.2-16.8 HA GLN 27 - H THR 65 far 0 80 0 - 5.3-17.5 HA ALA 28 - H THR 65 far 0 90 0 - 5.7-18.3 HA HIS 67 - H THR 65 far 0 96 0 - 6.5-7.3 HB THR 25 - H ASP 35 far 0 76 0 - 7.0-23.3 HA GLN 27 - H ASP 35 far 0 85 0 - 7.6-18.0 HA ALA 29 - H ASP 35 far 0 100 0 - 8.3-12.6 HA ALA 34 - H THR 65 far 0 98 0 - 8.8-18.6 HA GLU 30 - H ASP 35 far 0 100 0 - 8.9-12.9 Violated in 20 structures by 0.38 A. Peak 6381 from nnoeabs.peaks (1.42, 8.38, 118.19 ppm; 2.84 A): 1 out of 14 assignments used, quality = 0.92: * QB ALA 34 + H ASP 35 OK 92 100 100 92 2.1-3.4 2.1/6380=56, 957=49...(11) HG2 LYS 26 - H ASP 35 far 5 93 5 - 3.7-23.0 HG3 LYS 24 - H ASP 35 far 3 65 5 - 3.6-26.0 HG2 LYS 26 - H THR 65 far 0 89 0 - 5.4-21.9 HG13 ILE 32 - H THR 65 far 0 78 0 - 5.6-14.3 HG3 LYS 31 - H THR 65 far 0 58 0 - 6.5-19.7 HG3 LYS 31 - H ASP 35 far 0 63 0 - 6.5-12.8 HG13 ILE 32 - H ASP 35 far 0 83 0 - 6.8-10.8 QB ALA 16 - H ASP 35 far 0 93 0 - 6.9-27.3 HG2 LYS 31 - H THR 65 far 0 71 0 - 6.9-19.3 HG2 LYS 31 - H ASP 35 far 0 76 0 - 7.4-13.1 HG3 LYS 24 - H THR 65 far 0 61 0 - 8.4-23.2 QB ALA 34 - H THR 65 far 0 98 0 - 8.7-17.0 HG3 LYS 19 - H THR 65 far 0 66 0 - 9.8-33.0 Violated in 17 structures by 0.27 A. Peak 6382 from nnoeabs.peaks (4.52, 8.38, 118.19 ppm; 2.99 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 35 + H ASP 35 OK 100 100 100 100 2.7-2.9 3.0=100 HA TYR 72 - H ASP 35 far 0 63 0 - 4.5-11.9 HA SER 38 - H ASP 35 far 0 89 0 - 5.8-9.0 Violated in 0 structures by 0.00 A. Peak 6383 from nnoeabs.peaks (2.67, 8.38, 118.19 ppm; 3.02 A): 1 out of 1 assignment used, quality = 0.87: * HB2 ASP 35 + H ASP 35 OK 87 100 100 87 2.1-3.1 963=53, 6389/6387=34...(6) Violated in 11 structures by 0.03 A. Peak 6384 from nnoeabs.peaks (2.75, 8.38, 118.19 ppm; 3.37 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ASP 35 + H ASP 35 OK 98 100 100 98 2.1-3.4 1.8/6383=80, 961/3.0=60...(8) HB2 ASP 64 + H THR 65 OK 87 98 100 89 2.2-2.9 1.8/2058=49, 2052=44...(9) HB2 TYR 76 - H ASP 35 far 0 98 0 - 5.6-14.5 HB3 ASP 78 - H ASP 35 far 0 96 0 - 6.7-20.9 HB3 ASN 13 - H ASP 35 far 0 81 0 - 7.3-38.1 HB2 CYS 73 - H ASP 35 far 0 100 0 - 9.5-16.4 HB2 ASP 64 - H ASP 35 far 0 100 0 - 9.9-20.6 Violated in 0 structures by 0.00 A. Peak 6385 from nnoeabs.peaks (8.00, 8.38, 118.19 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 36 + H ASP 35 OK 99 100 100 99 2.3-2.8 6387=87, 6388/3.0=47...(12) H ILE 37 + H ASP 35 OK 44 60 100 74 3.7-4.5 4.4/6387=27...(13) H SER 38 - H ASP 35 far 5 93 5 - 4.4-7.6 H THR 18 - H ASP 35 far 0 76 0 - 7.4-32.4 H SER 51 - H THR 65 far 0 91 0 - 9.4-12.5 H ILE 37 - H THR 65 far 0 56 0 - 9.5-16.7 Violated in 0 structures by 0.00 A. Peak 6386 from nnoeabs.peaks (8.00, 8.00, 120.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 36 + H LYS 36 OK 100 100 - 100 Peak 6387 from nnoeabs.peaks (8.38, 8.00, 120.91 ppm; 3.18 A): 1 out of 5 assignments used, quality = 0.98: * H ASP 35 + H LYS 36 OK 98 100 100 98 2.3-2.8 6385=69, 3.0/6388=52...(13) H LYS 26 - H LYS 36 far 0 90 0 - 6.5-23.2 H GLN 27 - H LYS 36 far 0 100 0 - 6.9-21.2 H LYS 24 - H LYS 36 far 0 89 0 - 7.6-26.1 H SER 74 - H LYS 36 far 0 81 0 - 9.5-15.0 Violated in 0 structures by 0.00 A. Peak 6388 from nnoeabs.peaks (4.52, 8.00, 120.91 ppm; 3.10 A): 1 out of 3 assignments used, quality = 0.98: * HA ASP 35 + H LYS 36 OK 98 100 100 98 3.2-3.5 3.6=65, 3.0/6387=48...(19) HA TYR 72 - H LYS 36 far 0 63 0 - 5.3-11.8 HA SER 38 - H LYS 36 far 0 89 0 - 5.3-7.1 Violated in 20 structures by 0.20 A. Peak 6389 from nnoeabs.peaks (2.67, 8.00, 120.91 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ASP 35 + H LYS 36 OK 99 100 100 99 3.0-4.0 1.8/6390=71, 3.0/6388=68...(8) Violated in 8 structures by 0.05 A. Peak 6390 from nnoeabs.peaks (2.75, 8.00, 120.91 ppm; 3.88 A): 1 out of 5 assignments used, quality = 0.99: * HB3 ASP 35 + H LYS 36 OK 99 100 100 99 3.3-4.1 1.8/6389=78, 961/6388=72...(10) HB2 TYR 76 - H LYS 36 far 0 98 0 - 6.6-14.0 HB3 ASP 78 - H LYS 36 far 0 96 0 - 9.4-20.9 HB3 ASN 13 - H LYS 36 far 0 81 0 - 9.5-37.1 HB2 ASP 64 - H LYS 36 far 0 100 0 - 9.5-19.5 Violated in 14 structures by 0.06 A. Peak 6391 from nnoeabs.peaks (4.27, 8.00, 120.91 ppm; 3.28 A): 1 out of 11 assignments used, quality = 1.00: * HA LYS 36 + H LYS 36 OK 100 100 100 100 2.9-2.9 3.0=100 HA ALA 21 - H LYS 36 far 0 92 0 - 5.9-28.4 HA THR 18 - H LYS 36 far 0 89 0 - 5.9-34.2 HA THR 25 - H LYS 36 far 0 90 0 - 6.3-22.6 HA LYS 31 - H LYS 36 far 0 100 0 - 6.7-11.8 HA ALA 16 - H LYS 36 far 0 100 0 - 7.3-33.6 HA LYS 26 - H LYS 36 far 0 99 0 - 7.6-22.0 HA ARG 23 - H LYS 36 far 0 97 0 - 7.7-25.6 HA LEU 22 - H LYS 36 far 0 99 0 - 9.0-29.1 HA LYS 19 - H LYS 36 far 0 99 0 - 9.3-33.0 HA ALA 15 - H LYS 36 far 0 97 0 - 9.4-31.2 Violated in 0 structures by 0.00 A. Peak 6392 from nnoeabs.peaks (1.82, 8.00, 120.91 ppm; 3.07 A): 1 out of 7 assignments used, quality = 0.99: * HB2 LYS 36 + H LYS 36 OK 99 100 100 99 2.2-3.7 1.8/6393=65, 3.9=47...(30) HB ILE 32 - H LYS 36 poor 20 100 20 - 3.7-8.2 HB3 LYS 24 - H LYS 36 far 0 100 0 - 4.7-25.8 HB3 ARG 23 - H LYS 36 far 0 99 0 - 5.3-26.1 HB3 LYS 31 - H LYS 36 far 0 100 0 - 7.2-13.6 HB2 CYS 79 - H LYS 36 far 0 78 0 - 7.3-17.8 HB3 LYS 26 - H LYS 36 far 0 100 0 - 7.4-22.8 Violated in 8 structures by 0.14 A. Peak 6393 from nnoeabs.peaks (1.88, 8.00, 120.91 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LYS 36 + H LYS 36 OK 99 100 100 99 2.4-3.7 1.8/6392=72, 3.9=52...(27) HB2 GLU 40 - H LYS 36 far 0 92 0 - 8.1-13.5 Violated in 17 structures by 0.38 A. Peak 6394 from nnoeabs.peaks (1.38, 8.00, 120.91 ppm; 3.65 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 36 + H LYS 36 OK 100 100 100 100 1.8-4.3 1.8/6395=74, 3.0/6392=66...(48) HG3 LYS 26 - H LYS 36 far 5 100 5 - 4.9-24.4 HG3 LYS 31 - H LYS 36 far 0 97 0 - 6.1-13.9 HB2 LEU 42 - H LYS 36 far 0 100 0 - 6.9-9.8 QB ALA 29 - H LYS 36 far 0 100 0 - 7.0-11.4 QB ALA 16 - H LYS 36 far 0 73 0 - 7.0-27.0 HG2 LYS 24 - H LYS 36 far 0 100 0 - 7.1-26.6 QB ALA 15 - H LYS 36 far 0 100 0 - 8.0-26.9 QB ALA 12 - H LYS 36 far 0 81 0 - 8.7-26.9 QB ALA 28 - H LYS 36 far 0 100 0 - 9.8-14.7 Violated in 1 structures by 0.03 A. Peak 6395 from nnoeabs.peaks (1.47, 8.00, 120.91 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 36 + H LYS 36 OK 100 100 100 100 2.6-4.2 1.8/6394=71, 3.0/6392=65...(49) HG3 LYS 24 - H LYS 36 far 0 81 0 - 5.9-24.9 HG2 LYS 31 - H LYS 36 far 0 71 0 - 6.3-14.3 HG13 ILE 32 - H LYS 36 far 0 63 0 - 6.3-9.6 HG LEU 42 - H LYS 36 far 0 83 0 - 7.0-11.5 Violated in 12 structures by 0.19 A. Peak 6396 from nnoeabs.peaks (1.67, 8.00, 120.91 ppm; 4.61 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 36 + H LYS 36 OK 100 100 100 100 1.9-5.2 3.5/6392=82, 3.0/6395=82...(73) HD3 LYS 36 + H LYS 36 OK 100 100 100 100 2.1-4.7 3.5/6392=82, 3.0/6395=82...(72) HD3 LYS 26 - H LYS 36 far 14 96 15 - 5.1-24.6 HD2 LYS 26 - H LYS 36 far 10 97 10 - 5.2-25.3 HD3 LYS 24 - H LYS 36 far 0 97 0 - 7.5-25.3 HD2 LYS 24 - H LYS 36 far 0 98 0 - 7.5-24.6 HD2 LYS 31 - H LYS 36 far 0 98 0 - 7.9-13.3 HD3 LYS 31 - H LYS 36 far 0 97 0 - 8.6-13.4 HG LEU 43 - H LYS 36 far 0 65 0 - 8.8-13.0 HB2 LEU 69 - H LYS 36 far 0 100 0 - 8.8-14.0 HD2 LYS 39 - H LYS 36 far 0 99 0 - 9.4-14.3 Violated in 0 structures by 0.00 A. Peak 6397 from nnoeabs.peaks (1.67, 8.00, 120.91 ppm; 4.61 A): 2 out of 11 assignments used, quality = 1.00: HD2 LYS 36 + H LYS 36 OK 100 100 100 100 1.9-5.2 3.5/6392=82, 3.0/6395=82...(73) * HD3 LYS 36 + H LYS 36 OK 100 100 100 100 2.1-4.7 3.5/6392=82, 3.0/6395=82...(72) HD3 LYS 26 - H LYS 36 far 14 96 15 - 5.1-24.6 HD2 LYS 26 - H LYS 36 far 10 97 10 - 5.2-25.3 HD3 LYS 24 - H LYS 36 far 0 97 0 - 7.5-25.3 HD2 LYS 24 - H LYS 36 far 0 98 0 - 7.5-24.6 HD2 LYS 31 - H LYS 36 far 0 98 0 - 7.9-13.3 HD3 LYS 31 - H LYS 36 far 0 97 0 - 8.6-13.4 HG LEU 43 - H LYS 36 far 0 65 0 - 8.8-13.0 HB2 LEU 69 - H LYS 36 far 0 100 0 - 8.8-14.0 HD2 LYS 39 - H LYS 36 far 0 99 0 - 9.4-14.3 Violated in 0 structures by 0.00 A. Peak 6400 from nnoeabs.peaks (7.97, 8.00, 120.91 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: H LYS 36 + H LYS 36 OK 60 60 - 100 Reference assignment not found: H ILE 37 - H LYS 36 Peak 6401 from nnoeabs.peaks (7.97, 7.97, 121.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 37 + H ILE 37 OK 100 100 - 100 Peak 6402 from nnoeabs.peaks (8.00, 7.97, 121.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: H ILE 37 + H ILE 37 OK 60 60 - 100 Reference assignment not found: H LYS 36 - H ILE 37 Peak 6403 from nnoeabs.peaks (4.27, 7.97, 121.77 ppm; 3.02 A): 1 out of 11 assignments used, quality = 0.96: * HA LYS 36 + H ILE 37 OK 96 100 100 96 3.3-3.5 3.6=61, 3.0/6405=40...(15) HA THR 18 - H ILE 37 far 0 89 0 - 5.5-33.7 HA ALA 21 - H ILE 37 far 0 92 0 - 6.5-27.9 HA ALA 16 - H ILE 37 far 0 100 0 - 7.1-32.9 HA THR 25 - H ILE 37 far 0 90 0 - 8.0-22.5 HA ARG 23 - H ILE 37 far 0 97 0 - 8.7-25.4 HA LYS 31 - H ILE 37 far 0 100 0 - 8.7-13.0 HA LYS 19 - H ILE 37 far 0 99 0 - 9.2-32.6 HA ALA 15 - H ILE 37 far 0 97 0 - 9.3-31.8 HA LEU 22 - H ILE 37 far 0 99 0 - 9.6-28.8 HA LYS 26 - H ILE 37 far 0 99 0 - 9.6-22.2 Violated in 20 structures by 0.43 A. Peak 6404 from nnoeabs.peaks (1.82, 7.97, 121.77 ppm; 3.75 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 36 + H ILE 37 OK 100 100 100 100 2.5-4.5 1.8/6405=80, 3.0/6403=69...(17) HB ILE 32 - H ILE 37 far 5 100 5 - 5.2-9.4 HB3 LYS 24 - H ILE 37 far 0 100 0 - 6.2-25.4 HB3 ARG 23 - H ILE 37 far 0 99 0 - 6.5-26.0 HB2 CYS 79 - H ILE 37 far 0 78 0 - 7.6-15.9 HB3 LYS 26 - H ILE 37 far 0 100 0 - 9.0-22.9 HB3 LYS 31 - H ILE 37 far 0 100 0 - 9.1-14.5 Violated in 14 structures by 0.27 A. Peak 6405 from nnoeabs.peaks (1.88, 7.97, 121.77 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LYS 36 + H ILE 37 OK 99 100 100 99 3.1-4.4 1.8/6404=66, 3.0/6403=62...(13) HB2 GLU 40 - H ILE 37 far 0 92 0 - 7.8-11.4 Violated in 18 structures by 0.47 A. Peak 6406 from nnoeabs.peaks (1.38, 7.97, 121.77 ppm; 4.06 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 36 + H ILE 37 OK 100 100 100 100 1.9-4.9 3.0/6405=70, 1.8/6407=69...(16) HB2 LEU 42 - H ILE 37 far 0 100 0 - 5.6-8.0 QB ALA 16 - H ILE 37 far 0 73 0 - 6.0-26.4 HG3 LYS 26 - H ILE 37 far 0 100 0 - 7.0-24.5 QB ALA 12 - H ILE 37 far 0 81 0 - 7.4-27.1 HG3 LYS 31 - H ILE 37 far 0 97 0 - 7.7-14.8 QB ALA 15 - H ILE 37 far 0 100 0 - 8.0-26.8 QB ALA 29 - H ILE 37 far 0 100 0 - 8.2-11.2 HG2 LYS 24 - H ILE 37 far 0 100 0 - 8.6-26.1 Violated in 2 structures by 0.06 A. Peak 6407 from nnoeabs.peaks (1.47, 7.97, 121.77 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 36 + H ILE 37 OK 100 100 100 100 2.7-5.3 1.8/6406=83, 3.0/6405=76...(14) HG LEU 42 - H ILE 37 far 0 83 0 - 5.8-9.5 HG13 ILE 32 - H ILE 37 far 0 63 0 - 7.5-10.5 HG3 LYS 24 - H ILE 37 far 0 81 0 - 7.6-24.4 HG2 LYS 31 - H ILE 37 far 0 71 0 - 7.9-14.9 Violated in 4 structures by 0.10 A. Peak 6408 from nnoeabs.peaks (1.67, 7.97, 121.77 ppm; 4.85 A): 2 out of 11 assignments used, quality = 1.00: HD3 LYS 36 + H ILE 37 OK 100 100 100 100 1.8-5.7 3.5/6405=80, 3.0/6406=79...(16) * HD2 LYS 36 + H ILE 37 OK 100 100 100 100 3.3-5.2 3.5/6405=80, 3.0/6406=79...(16) HD3 LYS 26 - H ILE 37 far 0 96 0 - 6.8-24.8 HD2 LYS 26 - H ILE 37 far 0 97 0 - 7.2-25.5 HB2 LEU 69 - H ILE 37 far 0 100 0 - 8.0-12.1 HG LEU 43 - H ILE 37 far 0 65 0 - 8.2-11.9 HD2 LYS 39 - H ILE 37 far 0 99 0 - 8.3-12.6 HD2 LYS 24 - H ILE 37 far 0 98 0 - 8.3-24.4 HD3 LYS 24 - H ILE 37 far 0 97 0 - 8.7-24.6 HD2 LYS 31 - H ILE 37 far 0 98 0 - 9.1-14.5 HD3 LYS 31 - H ILE 37 far 0 97 0 - 9.1-15.3 Violated in 0 structures by 0.00 A. Peak 6409 from nnoeabs.peaks (1.67, 7.97, 121.77 ppm; 4.85 A): 2 out of 11 assignments used, quality = 1.00: * HD3 LYS 36 + H ILE 37 OK 100 100 100 100 1.8-5.7 3.5/6405=80, 3.0/6406=79...(16) HD2 LYS 36 + H ILE 37 OK 100 100 100 100 3.3-5.2 3.5/6405=80, 3.0/6406=79...(16) HD3 LYS 26 - H ILE 37 far 0 96 0 - 6.8-24.8 HD2 LYS 26 - H ILE 37 far 0 97 0 - 7.2-25.5 HB2 LEU 69 - H ILE 37 far 0 100 0 - 8.0-12.1 HG LEU 43 - H ILE 37 far 0 65 0 - 8.2-11.9 HD2 LYS 39 - H ILE 37 far 0 99 0 - 8.3-12.6 HD2 LYS 24 - H ILE 37 far 0 98 0 - 8.3-24.4 HD3 LYS 24 - H ILE 37 far 0 97 0 - 8.7-24.6 HD2 LYS 31 - H ILE 37 far 0 98 0 - 9.1-14.5 HD3 LYS 31 - H ILE 37 far 0 97 0 - 9.1-15.3 Violated in 0 structures by 0.00 A. Peak 6412 from nnoeabs.peaks (4.02, 7.97, 121.77 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 37 + H ILE 37 OK 100 100 100 100 2.6-2.9 2.9=100 HA GLN 68 - H ILE 37 far 0 65 0 - 5.2-10.7 HB2 SER 38 - H ILE 37 far 0 99 0 - 5.3-6.9 HA GLU 44 - H ILE 37 far 0 63 0 - 9.3-12.7 HA VAL 20 - H ILE 37 far 0 57 0 - 9.6-28.0 Violated in 0 structures by 0.00 A. Peak 6413 from nnoeabs.peaks (1.97, 7.97, 121.77 ppm; 2.96 A): 1 out of 2 assignments used, quality = 0.99: * HB ILE 37 + H ILE 37 OK 99 100 100 99 2.9-3.6 2.1/6414=51, 3.8=45...(26) HB2 GLN 27 - H ILE 37 far 0 100 0 - 9.2-18.2 Violated in 13 structures by 0.33 A. Peak 6414 from nnoeabs.peaks (0.94, 7.97, 121.77 ppm; 3.35 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 37 + H ILE 37 OK 100 100 100 100 1.8-3.8 2.1/6413=75, 1089/2.9=61...(29) QG1 VAL 20 - H ILE 37 far 0 63 0 - 5.3-24.3 QD1 LEU 48 - H ILE 37 far 0 96 0 - 6.9-12.4 QD2 LEU 48 - H ILE 37 far 0 65 0 - 7.9-14.0 QG1 VAL 126 - H ILE 37 far 0 81 0 - 9.0-14.4 QG2 VAL 126 - H ILE 37 far 0 63 0 - 9.6-13.5 Violated in 10 structures by 0.17 A. Peak 6415 from nnoeabs.peaks (1.28, 7.97, 121.77 ppm; 3.33 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + H ILE 37 OK 100 100 100 100 1.5-3.3 1.8/6416=72, 2.1/6417=59...(24) HB3 LEU 43 - H ILE 37 far 0 99 0 - 9.7-12.7 Violated in 1 structures by 0.00 A. Peak 6416 from nnoeabs.peaks (1.56, 7.97, 121.77 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 37 + H ILE 37 OK 100 100 100 100 1.8-3.6 1.8/6415=69, 2.1/6417=58...(20) HB3 LEU 42 - H ILE 37 far 0 89 0 - 5.4-9.5 HG2 ARG 23 - H ILE 37 far 0 93 0 - 7.8-27.0 Violated in 7 structures by 0.05 A. Peak 6417 from nnoeabs.peaks (0.78, 7.97, 121.77 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 37 + H ILE 37 OK 100 100 100 100 1.9-4.4 2.1/6416=74, 2.1/6415=73...(28) QD1 ILE 32 - H ILE 37 far 0 100 0 - 5.4-9.0 QD2 LEU 43 - H ILE 37 far 0 73 0 - 7.7-11.2 QD2 LEU 49 - H ILE 37 far 0 87 0 - 7.8-12.2 Violated in 5 structures by 0.09 A. Peak 6418 from nnoeabs.peaks (7.98, 7.97, 121.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: H ILE 37 + H ILE 37 OK 92 92 - 100 Reference assignment not found: H SER 38 - H ILE 37 Peak 6419 from nnoeabs.peaks (7.98, 7.98, 119.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 38 + H SER 38 OK 100 100 - 100 Peak 6420 from nnoeabs.peaks (7.97, 7.98, 119.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: H SER 38 + H SER 38 OK 92 92 - 100 Reference assignment not found: H ILE 37 - H SER 38 Peak 6421 from nnoeabs.peaks (4.02, 7.98, 119.00 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 37 + H SER 38 OK 100 100 100 100 3.1-3.6 3.6=87, 1089/6423=50...(20) HB2 SER 38 + H SER 38 OK 89 99 100 90 3.4-3.9 3.9=64, 1.8/6429=38...(7) HA GLN 68 - H SER 38 far 0 65 0 - 6.5-12.8 HA VAL 20 - H SER 38 far 0 57 0 - 7.8-29.2 HD3 PRO 81 - H SER 38 far 0 89 0 - 8.2-16.9 HA GLU 44 - H SER 38 far 0 63 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 6422 from nnoeabs.peaks (1.97, 7.98, 119.00 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 37 + H SER 38 OK 100 100 100 100 1.5-4.4 2.1/6423=72, 4.5=61...(31) HB2 GLN 27 - H SER 38 far 0 100 0 - 9.1-19.9 Violated in 4 structures by 0.06 A. Peak 6423 from nnoeabs.peaks (0.94, 7.98, 119.00 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 37 + H SER 38 OK 100 100 100 100 3.3-4.4 4.2=66, 2.1/6422=64...(29) QG1 VAL 20 - H SER 38 far 3 63 5 - 3.6-26.1 QD1 LEU 48 - H SER 38 far 0 96 0 - 8.1-12.9 QD2 LEU 48 - H SER 38 far 0 65 0 - 8.8-14.4 QG1 VAL 126 - H SER 38 far 0 81 0 - 9.4-14.4 QG2 VAL 126 - H SER 38 far 0 63 0 - 9.9-14.0 Violated in 11 structures by 0.17 A. Peak 6424 from nnoeabs.peaks (1.28, 7.98, 119.00 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + H SER 38 OK 100 100 100 100 2.2-3.6 2.1/6426=82...(25) HB3 LEU 43 - H SER 38 far 0 99 0 - 7.9-11.2 Violated in 0 structures by 0.00 A. Peak 6425 from nnoeabs.peaks (1.56, 7.98, 119.00 ppm; 4.90 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 37 + H SER 38 OK 100 100 100 100 2.6-4.6 2.1/6426=87...(24) HB3 LEU 42 + H SER 38 OK 28 89 55 57 4.0-8.1 1077/3.6=15...(7) HG2 ARG 23 - H SER 38 far 0 93 0 - 6.4-28.7 HB2 LEU 22 - H SER 38 far 0 89 0 - 9.3-30.4 Violated in 0 structures by 0.00 A. Peak 6426 from nnoeabs.peaks (0.78, 7.98, 119.00 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 37 + H SER 38 OK 100 100 100 100 1.8-4.5 1094/6423=79...(29) QD2 LEU 43 - H SER 38 far 0 73 0 - 6.4-10.2 QD1 ILE 32 - H SER 38 far 0 100 0 - 6.5-11.7 QD2 LEU 49 - H SER 38 far 0 87 0 - 8.4-12.5 Violated in 6 structures by 0.03 A. Peak 6427 from nnoeabs.peaks (4.54, 7.98, 119.00 ppm; 3.58 A): 2 out of 3 assignments used, quality = 1.00: * HA SER 38 + H SER 38 OK 100 100 100 100 2.3-2.8 3.0=100 HA ASP 35 + H SER 38 OK 51 89 75 77 3.6-6.7 10795/3.9=30, 962=17...(12) HA TYR 72 - H SER 38 far 0 97 0 - 5.5-8.1 Violated in 0 structures by 0.00 A. Peak 6428 from nnoeabs.peaks (4.01, 7.98, 119.00 ppm; 3.45 A): 2 out of 5 assignments used, quality = 1.00: HA ILE 37 + H SER 38 OK 99 99 100 100 3.1-3.6 3.6=91, 1089/6423=51...(20) * HB2 SER 38 + H SER 38 OK 91 100 100 91 3.4-3.9 3.9=67, 1.8/6429=39...(7) HA GLN 68 - H SER 38 far 0 81 0 - 6.5-12.8 HA VAL 20 - H SER 38 far 0 73 0 - 7.8-29.2 HD3 PRO 81 - H SER 38 far 0 76 0 - 8.2-16.9 Violated in 0 structures by 0.00 A. Peak 6429 from nnoeabs.peaks (4.22, 7.98, 119.00 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 38 + H SER 38 OK 99 100 100 99 2.1-3.9 3.9=86, 1.8/6421=39...(12) HA ALA 34 + H SER 38 OK 62 100 65 96 3.1-6.5 9004/6423=48...(9) HB THR 18 - H SER 38 far 0 60 0 - 5.5-36.0 HA GLN 27 - H SER 38 far 0 81 0 - 7.9-20.2 Violated in 0 structures by 0.00 A. Peak 6430 from nnoeabs.peaks (8.69, 7.98, 119.00 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.98: * H LYS 39 + H SER 38 OK 98 100 100 98 4.3-4.6 6432=87, 1134/3.9=52...(5) Violated in 20 structures by 0.25 A. Peak 6431 from nnoeabs.peaks (8.69, 8.69, 124.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 39 OK 100 100 - 100 Peak 6432 from nnoeabs.peaks (7.98, 8.69, 124.20 ppm; 4.50 A): 1 out of 4 assignments used, quality = 1.00: * H SER 38 + H LYS 39 OK 100 100 100 100 4.3-4.6 6430=100, 3.9/1134=56...(5) H ILE 37 - H LYS 39 far 0 92 0 - 6.5-7.6 H THR 18 - H LYS 39 far 0 98 0 - 7.4-36.3 H LYS 36 - H LYS 39 far 0 93 0 - 7.9-9.3 Violated in 15 structures by 0.09 A. Peak 6433 from nnoeabs.peaks (4.54, 8.69, 124.20 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 38 + H LYS 39 OK 100 100 100 100 2.2-2.8 3.6=100 HA TYR 72 - H LYS 39 far 0 97 0 - 5.9-10.9 HA ASP 35 - H LYS 39 far 0 89 0 - 6.5-9.1 Violated in 0 structures by 0.00 A. Peak 6434 from nnoeabs.peaks (4.01, 8.69, 124.20 ppm; 4.66 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 38 + H LYS 39 OK 100 100 100 100 1.9-3.3 4.6=100 HD3 PRO 81 - H LYS 39 poor 19 76 25 - 4.6-13.6 HA ILE 37 - H LYS 39 far 10 99 10 - 6.1-7.0 HA GLN 68 - H LYS 39 far 0 81 0 - 8.5-15.6 HA VAL 20 - H LYS 39 far 0 73 0 - 9.2-32.4 Violated in 0 structures by 0.00 A. Peak 6435 from nnoeabs.peaks (4.22, 8.69, 124.20 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 38 + H LYS 39 OK 100 100 100 100 3.0-4.4 1134=100, 1.8/1129=82...(9) HA ALA 34 - H LYS 39 far 0 100 0 - 7.2-11.0 HB THR 18 - H LYS 39 far 0 60 0 - 7.4-38.8 Violated in 0 structures by 0.00 A. Peak 6436 from nnoeabs.peaks (3.40, 8.69, 124.20 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 100 100 2.6-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 6437 from nnoeabs.peaks (1.76, 8.69, 124.20 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 39 OK 100 100 100 100 2.1-3.2 3.9=100 HB2 ARG 23 - H LYS 39 far 0 99 0 - 7.1-32.2 HB ILE 80 - H LYS 39 far 0 73 0 - 8.3-14.6 HB2 LYS 19 - H LYS 39 far 0 97 0 - 9.5-36.2 HB2 LYS 24 - H LYS 39 far 0 93 0 - 9.8-29.3 Violated in 0 structures by 0.00 A. Peak 6438 from nnoeabs.peaks (2.08, 8.69, 124.20 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 39 OK 100 100 100 100 2.1-3.5 3.9=100 HG3 PRO 81 - H LYS 39 far 7 65 10 - 5.5-13.5 HG3 GLN 134 - H LYS 39 far 0 100 0 - 8.7-14.9 HB3 GLN 27 - H LYS 39 far 0 87 0 - 8.9-25.2 HB3 GLU 44 - H LYS 39 far 0 100 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 6439 from nnoeabs.peaks (1.13, 8.69, 124.20 ppm; 5.40 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 3.8-4.7 4.7=100 HG3 LYS 39 + H LYS 39 OK 78 78 100 100 3.3-4.4 4.7=100 QG2 VAL 132 - H LYS 39 far 0 100 0 - 8.0-13.0 Violated in 0 structures by 0.00 A. Peak 6440 from nnoeabs.peaks (1.16, 8.69, 124.20 ppm; 5.43 A): 3 out of 6 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 100 100 100 100 3.3-4.4 4.7=100 QB ALA 41 + H LYS 39 OK 93 93 100 100 4.1-5.3 10845/3.6=76...(11) HG2 LYS 39 + H LYS 39 OK 78 78 100 100 3.8-4.7 4.7=100 QG2 THR 18 - H LYS 39 far 5 92 5 - 5.3-32.9 QG2 VAL 132 - H LYS 39 far 0 87 0 - 8.0-13.0 QG2 VAL 77 - H LYS 39 far 0 71 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 6441 from nnoeabs.peaks (1.68, 8.69, 124.20 ppm; 6.80 A): 1 out of 7 assignments used, quality = 1.00: * HD2 LYS 39 + H LYS 39 OK 100 100 100 100 2.1-5.6 5.5=100 HD3 LYS 36 - H LYS 39 poor 20 99 20 - 6.6-13.2 HD2 LYS 36 - H LYS 39 far 15 99 15 - 7.5-12.1 HD3 LYS 24 - H LYS 39 far 0 87 0 - 8.8-30.0 HD2 LYS 19 - H LYS 39 far 0 60 0 - 8.9-38.7 HD3 LYS 19 - H LYS 39 far 0 60 0 - 9.5-39.4 HD2 LYS 24 - H LYS 39 far 0 89 0 - 10.0-30.5 Violated in 0 structures by 0.00 A. Peak 6442 from nnoeabs.peaks (1.71, 8.69, 124.20 ppm; 5.95 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 39 + H LYS 39 OK 100 100 100 100 3.5-5.1 5.5=100 HB2 LEU 43 - H LYS 39 far 14 93 15 - 6.9-9.9 HB ILE 80 - H LYS 39 far 0 73 0 - 8.3-14.6 Violated in 0 structures by 0.00 A. Peak 6445 from nnoeabs.peaks (8.28, 8.69, 124.20 ppm; 4.24 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 40 + H LYS 39 OK 100 100 100 100 2.6-3.4 6448=100, 6451/3.9=39...(15) H LEU 43 - H LYS 39 far 5 99 5 - 5.7-6.7 H ALA 21 - H LYS 39 far 0 65 0 - 5.8-33.6 H LEU 69 - H LYS 39 far 0 87 0 - 9.1-15.3 Violated in 0 structures by 0.00 A. Peak 6447 from nnoeabs.peaks (8.28, 8.28, 116.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 40 + H GLU 40 OK 100 100 - 100 H SER 99 + H SER 99 OK 82 82 - 100 Peak 6448 from nnoeabs.peaks (8.69, 8.28, 116.30 ppm; 4.08 A): 1 out of 3 assignments used, quality = 0.99: * H LYS 39 + H GLU 40 OK 99 100 100 99 2.6-3.4 6445=90, 3.9/6451=36...(15) H HIS 7 - H GLU 40 far 0 99 0 - 7.9-56.3 H HIS 8 - H GLU 40 far 0 60 0 - 9.8-52.2 Violated in 0 structures by 0.00 A. Peak 6449 from nnoeabs.peaks (3.40, 8.28, 116.30 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 39 + H GLU 40 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 HIS 67 - H SER 99 far 0 89 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 6450 from nnoeabs.peaks (1.76, 8.28, 116.30 ppm; 3.97 A): 2 out of 7 assignments used, quality = 0.99: * HB2 LYS 39 + H GLU 40 OK 98 100 100 98 2.1-3.7 4.7=62, 1.8/6451=52...(14) HB3 LEU 98 + H SER 99 OK 59 59 100 100 2.2-3.8 4.6=63, 1.8/3166=62...(20) HG LEU 100 - H SER 99 far 0 75 0 - 6.5-7.4 HB2 ARG 23 - H GLU 40 far 0 99 0 - 7.1-33.5 HB2 LYS 24 - H GLU 40 far 0 93 0 - 7.6-31.1 HB2 ARG 23 - H SER 99 far 0 87 0 - 7.9-34.5 HB2 LYS 24 - H SER 99 far 0 78 0 - 8.2-31.6 Violated in 0 structures by 0.00 A. Peak 6451 from nnoeabs.peaks (2.08, 8.28, 116.30 ppm; 4.42 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LYS 39 + H GLU 40 OK 100 100 100 100 2.7-4.0 4.7=86, 1.8/1159=57...(14) HB2 GLU 102 + H SER 99 OK 22 88 25 99 4.9-7.4 3332/2.9=73, ~3207=46...(17) HB VAL 118 - H SER 99 far 3 63 5 - 5.4-8.1 HG3 PRO 81 - H GLU 40 far 0 65 0 - 5.9-13.8 HB3 GLN 27 - H SER 99 far 0 72 0 - 6.2-26.7 HG3 GLN 134 - H GLU 40 far 0 100 0 - 7.1-13.4 HB VAL 126 - H SER 99 far 0 54 0 - 7.3-12.2 HG2 PRO 117 - H SER 99 far 0 57 0 - 7.3-11.3 HB3 GLN 27 - H GLU 40 far 0 87 0 - 7.5-26.5 HB3 GLU 44 - H GLU 40 far 0 100 0 - 7.7-8.9 HG3 PRO 117 - H SER 99 far 0 50 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 6452 from nnoeabs.peaks (1.13, 8.28, 116.30 ppm; 5.52 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + H GLU 40 OK 100 100 100 100 1.8-4.1 3.0/1203=83, 2.9/6451=72...(19) HG3 LYS 39 + H GLU 40 OK 78 78 100 100 1.8-2.9 3.0/1203=83, 2.9/6451=72...(22) QG2 VAL 132 - H GLU 40 far 0 100 0 - 9.3-13.4 HG12 ILE 32 - H GLU 40 far 0 63 0 - 9.3-19.5 Violated in 0 structures by 0.00 A. Peak 6453 from nnoeabs.peaks (1.16, 8.28, 116.30 ppm; 4.55 A): 3 out of 6 assignments used, quality = 1.00: * HG3 LYS 39 + H GLU 40 OK 100 100 100 100 1.8-2.9 3.0/1203=62, 2.9/6451=55...(23) QB ALA 41 + H GLU 40 OK 93 93 100 100 4.3-4.7 3.0/6463=77...(19) HG2 LYS 39 + H GLU 40 OK 78 78 100 99 1.8-4.1 3.0/1203=62, 2.9/6451=55...(18) QG2 THR 18 - H GLU 40 far 0 92 0 - 7.7-34.1 QG2 VAL 132 - H GLU 40 far 0 87 0 - 9.3-13.4 HG12 ILE 32 - H GLU 40 far 0 99 0 - 9.3-19.5 Violated in 0 structures by 0.00 A. Peak 6454 from nnoeabs.peaks (1.68, 8.28, 116.30 ppm; 4.73 A): 2 out of 12 assignments used, quality = 1.00: * HD2 LYS 39 + H GLU 40 OK 100 100 100 100 2.2-4.5 1203=100, 1141/3.6=56...(18) HB2 LEU 98 + H SER 99 OK 54 54 100 100 3.0-4.2 4.6=100 HD3 LYS 95 - H SER 99 poor 14 70 20 - 5.9-8.9 HD3 LYS 36 - H GLU 40 far 5 99 5 - 5.4-15.1 HD3 LYS 24 - H GLU 40 far 4 87 5 - 6.2-29.6 HD3 LYS 24 - H SER 99 far 4 72 5 - 5.9-34.1 HD2 LYS 24 - H SER 99 far 0 73 0 - 6.6-35.2 HD2 LYS 36 - H GLU 40 far 0 99 0 - 6.7-14.0 HD2 LYS 95 - H SER 99 far 0 59 0 - 6.8-8.7 HD2 LYS 24 - H GLU 40 far 0 89 0 - 7.5-31.1 HB2 LEU 123 - H SER 99 far 0 50 0 - 8.6-12.0 HD2 LYS 31 - H GLU 40 far 0 89 0 - 10.0-22.9 Violated in 0 structures by 0.00 A. Peak 6455 from nnoeabs.peaks (1.71, 8.28, 116.30 ppm; 5.10 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 39 + H GLU 40 OK 100 100 100 100 2.2-4.6 1.8/1203=89, 1142/3.6=64...(17) HG LEU 98 + H SER 99 OK 88 88 100 100 3.6-4.9 2.1/3191=83, 3176/3.8=78...(18) HB2 LEU 43 + H GLU 40 OK 33 93 35 100 5.0-8.2 ~1246=51, ~11897=48...(22) HB2 LEU 70 - H SER 99 far 0 89 0 - 7.2-9.9 HB3 LEU 70 - H SER 99 far 0 89 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 6458 from nnoeabs.peaks (3.84, 8.28, 116.30 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 40 + H GLU 40 OK 100 100 100 100 2.7-2.8 2.8=100 HA VAL 118 - H SER 99 far 0 54 0 - 5.7-6.7 HD2 PRO 81 - H GLU 40 far 0 97 0 - 7.4-12.6 HA LEU 123 - H SER 99 far 0 87 0 - 8.4-11.2 HB2 SER 130 - H GLU 40 far 0 83 0 - 8.7-11.9 HD2 PRO 117 - H SER 99 far 0 72 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 6459 from nnoeabs.peaks (1.90, 8.28, 116.30 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 40 + H GLU 40 OK 100 100 100 100 2.2-3.6 4.0=79, 1.8/6460=74...(11) HB3 LYS 36 - H GLU 40 far 0 92 0 - 6.9-12.9 HB3 LEU 119 - H SER 99 far 0 52 0 - 8.1-11.9 HB3 LEU 123 - H SER 99 far 0 63 0 - 9.7-12.1 HB2 PRO 113 - H SER 99 far 0 82 0 - 9.9-19.3 Violated in 0 structures by 0.00 A. Peak 6460 from nnoeabs.peaks (2.04, 8.28, 116.30 ppm; 3.63 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLU 40 + H GLU 40 OK 100 100 100 100 2.2-3.6 4.0=77, 1.8/6459=72...(18) HB VAL 118 - H SER 99 far 0 66 0 - 5.4-8.1 HG3 PRO 81 - H GLU 40 far 0 90 0 - 5.9-13.8 HB3 GLN 27 - H SER 99 far 0 57 0 - 6.2-26.7 HB2 GLU 44 - H GLU 40 far 0 96 0 - 6.4-9.3 HB2 GLN 134 - H GLU 40 far 0 92 0 - 7.1-12.5 HG2 PRO 117 - H SER 99 far 0 72 0 - 7.3-11.3 HB3 GLN 27 - H GLU 40 far 0 71 0 - 7.5-26.5 HB3 PRO 117 - H SER 99 far 0 52 0 - 8.0-10.6 HG3 PRO 117 - H SER 99 far 0 77 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 6461 from nnoeabs.peaks (2.31, 8.28, 116.30 ppm; 4.19 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 40 + H GLU 40 OK 100 100 100 100 2.1-4.4 1.8/1268=79, 1262/2.8=73...(13) HB3 GLN 101 + H SER 99 OK 51 78 75 87 4.7-6.9 3157/3.6=54, 4.0/7407=38...(11) HB3 GLN 134 - H GLU 40 far 0 92 0 - 5.9-11.2 HG2 GLU 44 - H GLU 40 far 0 76 0 - 6.1-10.1 Violated in 0 structures by 0.00 A. Peak 6462 from nnoeabs.peaks (2.39, 8.28, 116.30 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 40 + H GLU 40 OK 100 100 100 100 1.9-4.5 1268=100, 1269/2.8=75...(12) HG2 GLN 101 + H SER 99 OK 24 45 65 83 4.1-6.0 4.7/7407=33, 2.9/6461=21...(14) HG3 GLU 97 - H SER 99 far 5 52 10 - 4.6-6.8 HG2 GLN 104 - H SER 99 far 0 78 0 - 8.1-12.9 Violated in 1 structures by 0.01 A. Peak 6463 from nnoeabs.peaks (7.89, 8.28, 116.30 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.98: * H ALA 41 + H GLU 40 OK 98 100 100 98 2.6-3.1 4.6=56, 6470/6459=46...(14) H GLN 104 - H SER 99 far 0 88 0 - 7.3-8.6 H SER 106 - H SER 99 far 0 86 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 6465 from nnoeabs.peaks (7.89, 7.89, 122.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 41 + H ALA 41 OK 100 100 - 100 Peak 6466 from nnoeabs.peaks (8.69, 7.89, 122.33 ppm; 5.86 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + H ALA 41 OK 100 100 100 100 3.8-4.6 6448/6463=88...(10) H HIS 7 - H ALA 41 far 0 99 0 - 8.4-54.0 H HIS 8 - H ALA 41 far 0 60 0 - 8.8-49.8 Violated in 0 structures by 0.00 A. Peak 6468 from nnoeabs.peaks (8.28, 7.89, 122.33 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 40 + H ALA 41 OK 100 100 100 100 2.6-3.1 6463=100, 6459/6470=57...(14) H LEU 43 + H ALA 41 OK 86 99 100 87 4.1-4.7 6496=42, 10942/3.0=29...(10) H ALA 21 - H ALA 41 far 0 65 0 - 6.9-32.7 H LEU 69 - H ALA 41 far 0 87 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 6469 from nnoeabs.peaks (3.84, 7.89, 122.33 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 40 + H ALA 41 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 33 - H ALA 41 far 0 97 0 - 8.0-15.0 HB2 SER 130 - H ALA 41 far 0 83 0 - 8.4-11.1 HD2 PRO 81 - H ALA 41 far 0 97 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 6470 from nnoeabs.peaks (1.90, 7.89, 122.33 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 40 + H ALA 41 OK 100 100 100 100 2.4-3.9 1253=74, 6459/6463=54...(25) HB3 LYS 36 - H ALA 41 far 14 92 15 - 5.0-11.0 HB3 LEU 48 - H ALA 41 far 0 100 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 6471 from nnoeabs.peaks (2.04, 7.89, 122.33 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 40 + H ALA 41 OK 100 100 100 100 2.3-4.1 1.8/6470=72, 4.6=61...(24) HB2 GLU 44 + H ALA 41 OK 91 96 95 100 4.4-6.8 1401/2.9=56...(24) HB3 GLN 27 - H ALA 41 far 4 71 5 - 4.7-24.6 HG3 PRO 81 - H ALA 41 far 0 90 0 - 8.7-15.5 HB2 GLN 134 - H ALA 41 far 0 92 0 - 9.1-13.2 Violated in 2 structures by 0.00 A. Peak 6472 from nnoeabs.peaks (2.31, 7.89, 122.33 ppm; 5.59 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 40 + H ALA 41 OK 100 100 100 100 1.9-4.9 1267=100, 3.0/6470=93...(23) HG2 GLU 44 + H ALA 41 OK 30 76 40 100 4.3-8.0 ~9064=64, ~1409=60...(21) HB3 GLN 134 - H ALA 41 far 0 92 0 - 7.6-11.6 HG3 GLN 68 - H ALA 41 far 0 98 0 - 8.0-14.2 Violated in 0 structures by 0.00 A. Peak 6473 from nnoeabs.peaks (2.39, 7.89, 122.33 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + H ALA 41 OK 100 100 100 100 1.9-4.2 1274=100, 3.0/6470=88...(25) Violated in 0 structures by 0.00 A. Peak 6474 from nnoeabs.peaks (3.91, 7.89, 122.33 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 41 + H ALA 41 OK 100 100 100 100 2.8-2.9 2.9=100 HB2 SER 33 - H ALA 41 far 0 100 0 - 8.9-14.0 Violated in 0 structures by 0.00 A. Peak 6475 from nnoeabs.peaks (1.17, 7.89, 122.33 ppm; 3.06 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 41 + H ALA 41 OK 100 100 100 100 2.0-2.2 3.0=100 HG3 LYS 39 - H ALA 41 poor 19 93 20 - 4.2-5.0 QG2 THR 25 - H ALA 41 far 4 89 5 - 4.4-23.3 HG12 ILE 32 - H ALA 41 far 0 99 0 - 6.4-17.5 QG2 THR 18 - H ALA 41 far 0 100 0 - 8.2-32.2 Violated in 0 structures by 0.00 A. Peak 6476 from nnoeabs.peaks (7.49, 7.89, 122.33 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + H ALA 41 OK 100 100 100 100 2.4-3.0 3.5=100 H GLN 134 - H ALA 41 far 0 100 0 - 8.9-12.4 Violated in 0 structures by 0.00 A. Peak 6477 from nnoeabs.peaks (8.29, 7.89, 122.33 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: H GLU 40 + H ALA 41 OK 99 99 100 100 2.6-3.1 6463=99, 6459/6470=56...(14) * H LEU 43 + H ALA 41 OK 87 100 100 87 4.1-4.7 6496=42, 10942/3.0=30...(10) H ALA 21 - H ALA 41 far 0 83 0 - 6.9-32.7 H LEU 69 - H ALA 41 far 0 97 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 6478 from nnoeabs.peaks (7.49, 7.49, 120.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + H LEU 42 OK 100 100 - 100 Peak 6479 from nnoeabs.peaks (3.40, 7.49, 120.97 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LEU 42 OK 100 100 100 100 3.3-4.0 10870/6490=64...(14) Violated in 0 structures by 0.00 A. Peak 6480 from nnoeabs.peaks (8.28, 7.49, 120.97 ppm; 4.87 A): 2 out of 5 assignments used, quality = 1.00: H LEU 43 + H LEU 42 OK 99 99 100 100 2.7-3.0 3.9=100 * H GLU 40 + H LEU 42 OK 98 100 100 98 4.0-4.7 6463/3.5=77, 3.6/6479=56...(12) H LEU 69 - H LEU 42 far 0 87 0 - 8.1-11.1 H ALA 21 - H LEU 42 far 0 65 0 - 8.7-31.0 H ASP 131 - H LEU 42 far 0 97 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 6481 from nnoeabs.peaks (3.84, 7.49, 120.97 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 40 + H LEU 42 OK 100 100 100 100 4.2-4.9 6514/6516=86...(14) HB2 SER 130 + H LEU 42 OK 34 83 75 56 6.0-9.0 6495/3.9=36, 11642/9116=29 HD2 PRO 81 - H LEU 42 far 0 97 0 - 8.7-12.6 HB3 SER 33 - H LEU 42 far 0 97 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 6482 from nnoeabs.peaks (7.89, 7.49, 120.97 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 41 + H LEU 42 OK 100 100 100 100 2.4-3.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 6483 from nnoeabs.peaks (3.91, 7.49, 120.97 ppm; 5.60 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 41 + H LEU 42 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 46 - H LEU 42 far 0 93 0 - 7.9-9.1 HA LEU 70 - H LEU 42 far 0 63 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 6484 from nnoeabs.peaks (1.17, 7.49, 120.97 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * QB ALA 41 + H LEU 42 OK 100 100 100 100 2.3-2.9 1285=100, 9066/2.8=37...(10) HG3 LYS 39 - H LEU 42 poor 17 93 30 62 4.6-5.9 4.0/6479=27...(9) QG2 THR 25 - H LEU 42 far 0 89 0 - 5.6-22.5 HG12 ILE 32 - H LEU 42 far 0 99 0 - 6.9-16.1 QG2 THR 18 - H LEU 42 far 0 100 0 - 8.2-30.8 QG2 VAL 77 - H LEU 42 far 0 97 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 6485 from nnoeabs.peaks (3.48, 7.49, 120.97 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + H LEU 42 OK 100 100 100 100 2.7-2.8 2.8=100 HA VAL 77 - H LEU 42 far 0 63 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 6486 from nnoeabs.peaks (1.38, 7.49, 120.97 ppm; 3.88 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 42 + H LEU 42 OK 100 100 100 100 2.0-3.1 4.0=94, 3.0/6488=50...(12) HG2 LYS 36 - H LEU 42 far 10 100 10 - 5.2-11.2 QB ALA 16 - H LEU 42 far 0 68 0 - 6.8-27.5 QB ALA 29 - H LEU 42 far 0 100 0 - 6.9-15.0 HG3 LYS 26 - H LEU 42 far 0 100 0 - 8.0-25.6 QB ALA 15 - H LEU 42 far 0 100 0 - 8.3-30.1 HG2 LYS 24 - H LEU 42 far 0 100 0 - 8.4-26.8 QB ALA 28 - H LEU 42 far 0 100 0 - 9.4-17.8 QB ALA 12 - H LEU 42 far 0 85 0 - 9.8-31.0 Violated in 0 structures by 0.00 A. Peak 6487 from nnoeabs.peaks (1.54, 7.49, 120.97 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + H LEU 42 OK 100 100 100 100 2.1-3.6 4.0=100 HG13 ILE 37 - H LEU 42 poor 18 89 25 79 3.4-8.6 3.2/9027=42...(6) HG LEU 49 - H LEU 42 far 0 63 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 6488 from nnoeabs.peaks (1.49, 7.49, 120.97 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 42 + H LEU 42 OK 100 100 100 100 2.8-4.5 4.6=85, 2.1/1323=73...(10) HG3 LYS 36 - H LEU 42 far 4 83 5 - 5.8-11.3 HG LEU 69 - H LEU 42 far 0 63 0 - 6.9-10.0 Violated in 7 structures by 0.02 A. Peak 6489 from nnoeabs.peaks (0.63, 7.49, 120.97 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + H LEU 42 OK 100 100 100 100 1.8-4.3 1323=100, 2.1/6488=75...(13) QD1 ILE 129 - H LEU 42 far 0 99 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 6490 from nnoeabs.peaks (0.56, 7.49, 120.97 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + H LEU 42 OK 100 100 100 100 3.3-4.5 4.8=85, 2.1/1323=79...(12) Violated in 0 structures by 0.00 A. Peak 6491 from nnoeabs.peaks (8.29, 7.49, 120.97 ppm; 4.59 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 43 + H LEU 42 OK 100 100 100 100 2.7-3.0 3.9=100 H GLU 40 + H LEU 42 OK 96 99 100 97 4.0-4.7 6463/3.5=70, 3.6/6479=49...(12) H LEU 69 - H LEU 42 far 0 97 0 - 8.1-11.1 H ALA 21 - H LEU 42 far 0 83 0 - 8.7-31.0 H ASP 131 - H LEU 42 far 0 89 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 6492 from nnoeabs.peaks (8.33, 7.49, 120.97 ppm; 5.15 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 44 + H LEU 42 OK 100 100 100 100 4.0-4.4 6516=100, 6515/3.6=77...(10) H TYR 72 - H LEU 42 far 0 97 0 - 7.5-9.0 H ALA 21 - H LEU 42 far 0 71 0 - 8.7-31.0 H ALA 28 - H LEU 42 far 0 99 0 - 9.0-20.7 H GLY 17 - H LEU 42 far 0 95 0 - 9.1-34.0 Violated in 0 structures by 0.00 A. Peak 6493 from nnoeabs.peaks (8.29, 8.29, 119.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + H LEU 43 OK 100 100 - 100 Peak 6494 from nnoeabs.peaks (3.40, 8.29, 119.18 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LEU 43 OK 100 100 100 100 3.4-4.8 10870/6504=77...(20) Violated in 0 structures by 0.00 A. Peak 6495 from nnoeabs.peaks (3.84, 8.29, 119.18 ppm; 4.88 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 40 + H LEU 43 OK 100 100 100 100 3.5-4.1 9055/6509=64...(18) HB2 SER 130 + H LEU 43 OK 65 83 85 93 4.6-6.9 11720/6510=48...(12) HD2 PRO 81 - H LEU 43 far 0 97 0 - 8.9-13.1 HB2 SER 50 - H LEU 43 far 0 100 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 6496 from nnoeabs.peaks (7.89, 8.29, 119.18 ppm; 5.67 A): 1 out of 1 assignment used, quality = 0.97: * H ALA 41 + H LEU 43 OK 97 100 100 97 4.1-4.7 6477=47, 3.0/10942=47...(10) Violated in 0 structures by 0.00 A. Peak 6497 from nnoeabs.peaks (3.91, 8.29, 119.18 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA ALA 41 + H LEU 43 OK 100 100 100 100 4.1-4.9 6515/3.9=97, 2.9/6496=91...(11) HA ALA 46 + H LEU 43 OK 93 93 100 100 6.8-7.8 ~1348=90, ~1348=87...(16) HB3 SER 50 - H LEU 43 far 0 81 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 6498 from nnoeabs.peaks (7.49, 8.29, 119.18 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 42 + H LEU 43 OK 100 100 100 100 2.7-3.0 3.9=100 H GLN 134 - H LEU 43 far 0 100 0 - 5.8-7.8 HE22 GLN 127 - H LEU 43 far 0 98 0 - 8.9-14.3 Violated in 0 structures by 0.00 A. Peak 6499 from nnoeabs.peaks (3.48, 8.29, 119.18 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + H LEU 43 OK 100 100 100 100 3.5-3.6 3.6=100 HA ILE 129 - H LEU 43 far 0 93 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 6500 from nnoeabs.peaks (1.38, 8.29, 119.18 ppm; 4.42 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 42 + H LEU 43 OK 100 100 100 100 2.4-4.0 4.6=88, 1.8/6501=83...(16) QB ALA 29 - H LEU 43 far 0 100 0 - 6.9-16.5 HG2 LYS 36 - H LEU 43 far 0 100 0 - 7.5-13.8 QB ALA 16 - H LEU 43 far 0 68 0 - 8.6-29.0 HG2 LYS 24 - H LEU 43 far 0 100 0 - 9.0-27.8 QB ALA 15 - H LEU 43 far 0 100 0 - 9.0-31.4 QB ALA 28 - H LEU 43 far 0 100 0 - 9.0-19.0 HG3 LYS 26 - H LEU 43 far 0 100 0 - 9.5-26.8 Violated in 0 structures by 0.00 A. Peak 6501 from nnoeabs.peaks (1.54, 8.29, 119.18 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + H LEU 43 OK 100 100 100 100 2.2-4.1 4.6=76, 1.8/6500=72...(14) HG13 ILE 37 - H LEU 43 far 0 89 0 - 6.0-11.4 HG LEU 49 - H LEU 43 far 0 63 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 6502 from nnoeabs.peaks (1.49, 8.29, 119.18 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 42 + H LEU 43 OK 100 100 100 100 1.9-4.9 2.1/6504=85, 2.1/6503=77...(19) HG LEU 69 - H LEU 43 far 0 63 0 - 6.5-9.8 HG3 LYS 36 - H LEU 43 far 0 83 0 - 7.8-13.9 Violated in 2 structures by 0.02 A. Peak 6503 from nnoeabs.peaks (0.63, 8.29, 119.18 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + H LEU 43 OK 100 100 100 100 2.5-5.0 2.1/6504=84, 1330=79...(24) QD1 ILE 129 - H LEU 43 far 0 99 0 - 8.2-10.0 Violated in 8 structures by 0.04 A. Peak 6504 from nnoeabs.peaks (0.56, 8.29, 119.18 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + H LEU 43 OK 100 100 100 100 2.1-4.6 1338=74, 2.1/6503=63...(26) Violated in 3 structures by 0.03 A. Peak 6505 from nnoeabs.peaks (3.78, 8.29, 119.18 ppm; 4.14 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 43 + H LEU 43 OK 100 100 100 100 2.7-2.9 2.8=100 HA SER 130 + H LEU 43 OK 72 100 75 96 4.6-6.4 11747/6510=49, 4172=30...(21) HB3 SER 130 + H LEU 43 OK 42 99 45 94 4.5-7.4 10509/6510=48, 11640=23...(19) HA VAL 133 - H LEU 43 far 0 93 0 - 7.1-9.3 Violated in 0 structures by 0.00 A. Peak 6506 from nnoeabs.peaks (1.73, 8.29, 119.18 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + H LEU 43 OK 100 100 100 100 2.1-3.6 3.9=93, 3.0/6508=61...(21) HD3 LYS 39 - H LEU 43 far 0 93 0 - 6.4-8.1 HB2 LYS 24 - H LEU 43 far 0 83 0 - 9.3-28.8 HB2 ARG 23 - H LEU 43 far 0 63 0 - 9.5-30.4 HB2 LYS 26 - H LEU 43 far 0 76 0 - 9.6-24.9 Violated in 0 structures by 0.00 A. Peak 6507 from nnoeabs.peaks (1.28, 8.29, 119.18 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + H LEU 43 OK 100 100 100 100 2.3-3.6 3.9=100 HG12 ILE 37 - H LEU 43 far 0 99 0 - 6.8-10.1 Violated in 0 structures by 0.00 A. Peak 6508 from nnoeabs.peaks (1.64, 8.29, 119.18 ppm; 3.65 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 43 + H LEU 43 OK 100 100 100 100 1.7-3.4 2.1/6509=59, 2.1/6510=59...(19) HD3 LYS 36 - H LEU 43 far 7 65 10 - 5.1-14.5 HD2 LYS 36 - H LEU 43 far 0 65 0 - 5.6-13.2 HB2 LEU 69 - H LEU 43 far 0 68 0 - 7.0-10.5 HD3 LYS 24 - H LEU 43 far 0 89 0 - 8.4-27.9 HD3 LYS 26 - H LEU 43 far 0 92 0 - 8.4-27.8 HD2 LYS 31 - H LEU 43 far 0 87 0 - 8.9-21.4 HD2 LYS 26 - H LEU 43 far 0 89 0 - 9.0-27.8 HD2 LYS 24 - H LEU 43 far 0 87 0 - 9.1-29.0 HD3 LYS 31 - H LEU 43 far 0 89 0 - 9.4-20.3 Violated in 0 structures by 0.00 A. Peak 6509 from nnoeabs.peaks (0.70, 8.29, 119.18 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + H LEU 43 OK 100 100 100 100 3.2-4.2 2.1/6508=79, 4.5=72...(27) Violated in 1 structures by 0.01 A. Peak 6510 from nnoeabs.peaks (0.75, 8.29, 119.18 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 43 + H LEU 43 OK 100 100 100 100 1.9-3.9 2.1/6508=74, 2.1/6509=67...(30) QD1 ILE 37 - H LEU 43 poor 7 73 30 30 4.2-9.4 3.0/9023=11...(6) QD1 ILE 32 - H LEU 43 far 4 78 5 - 5.2-14.5 QD2 LEU 96 - H LEU 43 far 0 99 0 - 8.8-12.7 QD1 LEU 96 - H LEU 43 far 0 89 0 - 9.2-11.8 QG1 VAL 93 - H LEU 43 far 0 100 0 - 9.6-12.0 Violated in 1 structures by 0.00 A. Peak 6511 from nnoeabs.peaks (8.33, 8.29, 119.18 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + H LEU 43 OK 100 100 100 100 2.4-2.9 3.9=100 H ALA 28 - H LEU 43 far 0 99 0 - 8.2-22.2 H TYR 72 - H LEU 43 far 0 97 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 6513 from nnoeabs.peaks (8.33, 8.33, 119.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 44 + H GLU 44 OK 100 100 - 100 Peak 6514 from nnoeabs.peaks (3.84, 8.33, 119.61 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.98: * HA GLU 40 + H GLU 44 OK 98 100 100 98 3.9-5.6 9055/1390=45...(12) HB2 SER 130 - H GLU 44 far 0 83 0 - 6.2-7.3 HB2 SER 50 - H GLU 44 far 0 100 0 - 8.7-11.3 Violated in 16 structures by 0.21 A. Peak 6515 from nnoeabs.peaks (3.91, 8.33, 119.61 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 41 + H GLU 44 OK 100 100 100 100 3.1-3.7 1409/6527=63...(14) HA ALA 46 - H GLU 44 far 0 93 0 - 6.5-7.4 HB3 SER 50 - H GLU 44 far 0 81 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 6516 from nnoeabs.peaks (7.49, 8.33, 119.61 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 42 + H GLU 44 OK 100 100 100 100 4.0-4.4 6492=90, 3.6/6515=74...(10) H GLN 134 - H GLU 44 far 0 100 0 - 8.0-9.8 HE22 GLN 127 - H GLU 44 far 0 98 0 - 8.5-13.9 Violated in 0 structures by 0.00 A. Peak 6518 from nnoeabs.peaks (8.29, 8.33, 119.61 ppm; 5.58 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 43 + H GLU 44 OK 100 100 100 100 2.4-2.9 3.9=100 H GLU 40 + H GLU 44 OK 93 99 95 99 6.0-7.1 2.8/6514=91...(11) H LEU 49 - H GLU 44 far 0 92 0 - 7.8-8.7 H GLU 30 - H GLU 44 far 0 71 0 - 8.4-20.9 H ASP 131 - H GLU 44 far 0 89 0 - 8.7-10.1 H LEU 69 - H GLU 44 far 0 97 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 6519 from nnoeabs.peaks (3.78, 8.33, 119.61 ppm; 4.34 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 43 + H GLU 44 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 130 + H GLU 44 OK 22 99 25 88 5.3-7.6 10509/1390=49...(9) HA SER 130 - H GLU 44 far 0 100 0 - 6.5-7.5 HB2 SER 9 - H GLU 44 far 0 76 0 - 9.1-47.6 HB3 SER 9 - H GLU 44 far 0 73 0 - 9.3-47.8 HA VAL 133 - H GLU 44 far 0 93 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 6520 from nnoeabs.peaks (1.73, 8.33, 119.61 ppm; 4.06 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 43 + H GLU 44 OK 100 100 100 100 2.6-4.2 4.6=70, 3.0/6522=55...(17) HG LEU 48 - H GLU 44 far 0 93 0 - 7.8-9.4 HB2 LYS 26 - H GLU 44 far 0 76 0 - 7.9-26.2 HB2 LYS 24 - H GLU 44 far 0 83 0 - 7.9-29.1 HD3 LYS 39 - H GLU 44 far 0 93 0 - 8.0-10.4 HB2 LYS 31 - H GLU 44 far 0 90 0 - 9.0-21.1 HB2 ARG 23 - H GLU 44 far 0 63 0 - 9.2-30.2 Violated in 7 structures by 0.03 A. Peak 6521 from nnoeabs.peaks (1.28, 8.33, 119.61 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + H GLU 44 OK 100 100 100 100 2.3-4.3 4.6=100 HG12 ILE 37 - H GLU 44 far 0 99 0 - 7.9-11.1 Violated in 0 structures by 0.00 A. Peak 6522 from nnoeabs.peaks (1.64, 8.33, 119.61 ppm; 4.31 A): 1 out of 11 assignments used, quality = 0.99: * HG LEU 43 + H GLU 44 OK 99 100 100 99 3.3-5.1 2.1/1390=71, 3.0/6520=66...(13) HD3 LYS 36 - H GLU 44 far 7 65 10 - 5.1-14.6 HD2 LYS 36 - H GLU 44 far 3 65 5 - 5.8-13.7 HD3 LYS 26 - H GLU 44 far 0 92 0 - 5.9-29.1 HD2 LYS 26 - H GLU 44 far 0 89 0 - 6.4-29.4 HD2 LYS 31 - H GLU 44 far 0 87 0 - 6.4-22.7 HD3 LYS 31 - H GLU 44 far 0 89 0 - 7.1-21.1 HB2 LEU 69 - H GLU 44 far 0 68 0 - 7.3-10.5 HD3 LYS 24 - H GLU 44 far 0 89 0 - 7.6-28.0 HD2 LYS 24 - H GLU 44 far 0 87 0 - 7.8-29.5 HD2 LYS 19 - H GLU 44 far 0 99 0 - 8.9-37.7 Violated in 3 structures by 0.07 A. Peak 6523 from nnoeabs.peaks (0.70, 8.33, 119.61 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + H GLU 44 OK 100 100 100 100 3.9-4.8 2.1/6522=87, 2.1/1390=87...(18) Violated in 0 structures by 0.00 A. Peak 6524 from nnoeabs.peaks (0.75, 8.33, 119.61 ppm; 4.45 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 43 + H GLU 44 OK 100 100 100 100 4.1-4.9 1390=100, 2.1/6522=77...(18) QD1 ILE 32 - H GLU 44 poor 11 78 30 47 3.8-14.2 10849/6529=26...(9) QD1 ILE 37 - H GLU 44 poor 9 73 30 39 5.1-10.7 9070/9130=18...(5) QD1 LEU 96 - H GLU 44 far 0 89 0 - 9.8-12.6 QD2 LEU 96 - H GLU 44 far 0 99 0 - 9.9-13.8 Violated in 10 structures by 0.10 A. Peak 6525 from nnoeabs.peaks (4.05, 8.33, 119.61 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 44 + H GLU 44 OK 100 100 100 100 2.8-2.9 2.8=100 HA ILE 37 - H GLU 44 far 0 63 0 - 5.4-9.1 Violated in 0 structures by 0.00 A. Peak 6526 from nnoeabs.peaks (2.02, 8.33, 119.61 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 44 + H GLU 44 OK 100 100 100 100 2.1-3.4 1402=72, 1.8/6527=69...(21) HB3 GLU 40 - H GLU 44 far 0 96 0 - 5.2-7.5 HB2 GLN 134 - H GLU 44 far 0 100 0 - 8.2-10.8 HB ILE 129 - H GLU 44 far 0 81 0 - 9.3-10.7 Violated in 1 structures by 0.00 A. Peak 6527 from nnoeabs.peaks (2.08, 8.33, 119.61 ppm; 3.34 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 44 + H GLU 44 OK 100 100 100 100 2.1-3.6 1410=78, 1.8/6526=72...(18) HB3 GLN 27 - H GLU 44 far 4 89 5 - 3.5-25.0 HG3 GLN 134 - H GLU 44 far 0 100 0 - 6.5-10.4 HB3 LYS 39 - H GLU 44 far 0 100 0 - 7.5-9.1 HB VAL 126 - H GLU 44 far 0 65 0 - 8.9-13.4 HB2 GLN 127 - H GLU 44 far 0 81 0 - 9.2-13.2 Violated in 8 structures by 0.04 A. Peak 6528 from nnoeabs.peaks (2.34, 8.33, 119.61 ppm; 3.83 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 44 + H GLU 44 OK 100 100 100 100 3.3-4.4 1417=93, 1.8/1424=79...(16) HG2 GLU 40 - H GLU 44 far 4 76 5 - 4.3-7.4 HG3 GLN 27 - H GLU 44 far 0 81 0 - 5.4-23.6 HG2 GLN 27 - H GLU 44 far 0 92 0 - 6.3-24.6 HB3 GLN 134 - H GLU 44 far 0 99 0 - 6.7-9.3 HG3 GLN 68 - H GLU 44 far 0 93 0 - 8.2-12.4 Violated in 15 structures by 0.21 A. Peak 6529 from nnoeabs.peaks (2.51, 8.33, 119.61 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 44 + H GLU 44 OK 100 100 100 100 2.6-4.2 1424=100, 1.8/6528=68...(19) HG3 GLN 127 - H GLU 44 far 0 76 0 - 9.3-13.4 Violated in 13 structures by 0.10 A. Peak 6530 from nnoeabs.peaks (7.69, 8.33, 119.61 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + H GLU 44 OK 100 100 100 100 2.4-2.9 3.4=100 Violated in 0 structures by 0.00 A. Peak 6531 from nnoeabs.peaks (8.54, 8.33, 119.61 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.96: * H ALA 46 + H GLU 44 OK 96 100 100 96 3.6-5.0 3.1/9132=44, 6551=43...(13) H HIS 5 - H GLU 44 far 0 99 0 - 9.2-60.7 Violated in 12 structures by 0.24 A. Peak 6532 from nnoeabs.peaks (7.69, 7.69, 120.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + H CYS 45 OK 100 100 - 100 Peak 6533 from nnoeabs.peaks (3.91, 7.69, 120.85 ppm; 5.50 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 41 + H CYS 45 OK 100 100 100 100 2.8-4.4 6515/3.4=85...(14) HA ALA 46 + H CYS 45 OK 93 93 100 100 5.1-5.6 2.1/9152=92, 3.6/6547=72...(12) HB3 SER 50 - H CYS 45 far 0 81 0 - 8.3-10.5 HA LEU 70 - H CYS 45 far 0 63 0 - 9.6-11.7 HB2 SER 33 - H CYS 45 far 0 100 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 6534 from nnoeabs.peaks (3.48, 7.69, 120.85 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + H CYS 45 OK 100 100 100 100 3.3-4.4 1294=100, 3.6/6535=97...(10) Violated in 0 structures by 0.00 A. Peak 6535 from nnoeabs.peaks (8.29, 7.69, 120.85 ppm; 4.43 A): 1 out of 7 assignments used, quality = 0.85: * H LEU 43 + H CYS 45 OK 85 100 100 85 4.0-4.8 3.6/1294=32, ~1347=26...(14) H LEU 49 - H CYS 45 far 0 92 0 - 6.1-7.2 H GLU 30 - H CYS 45 far 0 71 0 - 6.7-18.7 H LEU 69 - H CYS 45 far 0 97 0 - 6.9-9.3 H GLU 40 - H CYS 45 far 0 99 0 - 7.7-8.7 H ALA 21 - H CYS 45 far 0 83 0 - 9.1-29.9 H ASP 131 - H CYS 45 far 0 89 0 - 9.5-10.8 Violated in 16 structures by 0.15 A. Peak 6537 from nnoeabs.peaks (8.33, 7.69, 120.85 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 44 + H CYS 45 OK 100 100 100 100 2.4-2.9 3.4=100 H ALA 28 - H CYS 45 far 5 99 5 - 5.1-20.6 H GLY 17 - H CYS 45 far 0 95 0 - 7.5-32.3 H TYR 72 - H CYS 45 far 0 97 0 - 8.2-10.3 H ALA 21 - H CYS 45 far 0 71 0 - 9.1-29.9 H LYS 19 - H CYS 45 far 0 90 0 - 9.7-33.2 Violated in 0 structures by 0.00 A. Peak 6538 from nnoeabs.peaks (4.05, 7.69, 120.85 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 44 + H CYS 45 OK 100 100 100 100 3.5-3.6 3.6=100 HA ILE 37 - H CYS 45 poor 13 63 20 - 3.7-8.8 HB THR 65 - H CYS 45 far 0 89 0 - 8.0-11.5 Violated in 0 structures by 0.00 A. Peak 6539 from nnoeabs.peaks (2.02, 7.69, 120.85 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 44 + H CYS 45 OK 100 100 100 100 2.3-3.4 1408=82, 1.8/1416=74...(21) HB3 GLU 40 - H CYS 45 far 0 96 0 - 7.4-9.1 HB VAL 20 - H CYS 45 far 0 78 0 - 8.5-28.5 HB ILE 129 - H CYS 45 far 0 81 0 - 9.3-10.7 HB3 GLU 30 - H CYS 45 far 0 100 0 - 9.8-21.6 Violated in 0 structures by 0.00 A. Peak 6540 from nnoeabs.peaks (2.08, 7.69, 120.85 ppm; 4.13 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 44 + H CYS 45 OK 100 100 100 100 2.4-4.1 1416=100, 1.8/6539=78...(21) HB3 GLN 27 - H CYS 45 far 9 89 10 - 3.4-23.0 HB VAL 126 - H CYS 45 far 0 65 0 - 7.7-12.4 HG3 GLN 134 - H CYS 45 far 0 100 0 - 8.7-11.9 HB3 LYS 39 - H CYS 45 far 0 100 0 - 9.4-10.8 HB2 GLN 127 - H CYS 45 far 0 81 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 6541 from nnoeabs.peaks (2.34, 7.69, 120.85 ppm; 6.07 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 44 + H CYS 45 OK 100 100 100 100 2.8-4.9 1423=100, 3.0/6539=97...(19) HG3 GLN 68 + H CYS 45 OK 39 93 50 83 5.6-9.7 9549/9142=31...(9) HG2 GLU 40 - H CYS 45 poor 13 76 45 37 6.5-9.6 9065/6533=15, ~1402=14 HG2 GLN 27 - H CYS 45 far 9 92 10 - 6.3-22.7 HG3 GLN 27 - H CYS 45 far 8 81 10 - 5.5-21.9 HG3 GLU 30 - H CYS 45 far 0 99 0 - 8.6-21.0 HB3 GLN 134 - H CYS 45 far 0 99 0 - 9.0-11.8 HG2 GLN 127 - H CYS 45 far 0 89 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 6543 from nnoeabs.peaks (4.12, 7.69, 120.85 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 45 + H CYS 45 OK 100 100 100 100 2.7-2.8 2.8=100 HA ILE 32 - H CYS 45 far 0 95 0 - 6.3-16.1 HA LEU 48 - H CYS 45 far 0 95 0 - 6.8-8.0 HA LEU 49 - H CYS 45 far 0 92 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 6544 from nnoeabs.peaks (2.94, 7.69, 120.85 ppm; 3.73 A): 1 out of 11 assignments used, quality = 1.00: * HB2 CYS 45 + H CYS 45 OK 100 100 100 100 2.1-2.9 3.5=100 HE3 LYS 36 - H CYS 45 far 13 85 15 - 2.6-13.3 HE2 LYS 36 - H CYS 45 far 9 92 10 - 3.9-12.8 HE2 LYS 31 - H CYS 45 far 0 78 0 - 5.4-20.9 HE3 LYS 26 - H CYS 45 far 0 71 0 - 5.9-29.0 HE2 LYS 26 - H CYS 45 far 0 71 0 - 6.9-28.8 HE3 LYS 31 - H CYS 45 far 0 71 0 - 7.0-22.4 HG CYS 73 - H CYS 45 far 0 99 0 - 7.3-11.3 HE2 LYS 24 - H CYS 45 far 0 95 0 - 7.3-27.4 HE3 LYS 24 - H CYS 45 far 0 85 0 - 7.4-26.2 HE2 LYS 39 - H CYS 45 far 0 97 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 6545 from nnoeabs.peaks (3.13, 7.69, 120.85 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HB3 CYS 45 + H CYS 45 OK 100 100 100 100 2.2-3.6 3.5=100 HB3 HIS 7 - H CYS 45 far 0 78 0 - 7.1-51.8 HB2 HIS 7 - H CYS 45 far 0 85 0 - 7.6-51.1 HB3 TYR 76 - H CYS 45 far 0 100 0 - 9.4-11.9 HB3 HIS 3 - H CYS 45 far 0 78 0 - 9.8-61.2 HB2 HIS 6 - H CYS 45 far 0 73 0 - 9.8-53.7 Violated in 0 structures by 0.00 A. Peak 6546 from nnoeabs.peaks (8.54, 7.69, 120.85 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + H CYS 45 OK 100 100 100 100 2.5-3.2 3.2=100 H HIS 5 - H CYS 45 far 0 99 0 - 9.4-58.6 Violated in 0 structures by 0.00 A. Peak 6547 from nnoeabs.peaks (8.46, 7.69, 120.85 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.99: * H ASP 47 + H CYS 45 OK 99 100 100 99 3.8-4.2 6564=76, 6563/3.6=72...(9) H LEU 70 - H CYS 45 far 0 99 0 - 8.5-10.8 H ALA 34 - H CYS 45 far 0 68 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 6548 from nnoeabs.peaks (8.54, 8.54, 121.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 46 + H ALA 46 OK 100 100 - 100 H HIS 5 + H HIS 5 OK 91 91 - 100 Peak 6550 from nnoeabs.peaks (3.78, 8.54, 121.48 ppm; 4.67 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 43 + H ALA 46 OK 100 100 100 100 3.5-4.7 1348/3.1=76, 3.6/6531=71...(13) HB3 SER 130 + H ALA 46 OK 96 99 100 97 4.2-5.9 10508/3.1=71...(14) HA SER 130 + H ALA 46 OK 34 100 35 98 5.6-7.6 11864/3.1=46, ~10508=36...(15) HB2 SER 9 - H HIS 5 far 0 65 0 - 7.5-17.0 HB3 SER 9 - H HIS 5 far 0 63 0 - 8.1-17.5 HB2 SER 9 - H ALA 46 far 0 76 0 - 8.7-46.3 HA VAL 133 - H HIS 5 far 0 83 0 - 9.2-67.2 HB3 SER 9 - H ALA 46 far 0 73 0 - 9.3-46.5 Violated in 0 structures by 0.00 A. Peak 6551 from nnoeabs.peaks (8.33, 8.54, 121.48 ppm; 5.07 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 44 + H ALA 46 OK 100 100 100 100 3.6-5.0 6531=100, 9132/3.1=74...(13) H ALA 28 - H ALA 46 far 5 99 5 - 5.8-20.6 H TYR 72 - H ALA 46 far 0 97 0 - 7.5-10.2 H GLU 44 - H HIS 5 far 0 93 0 - 9.2-60.7 Violated in 0 structures by 0.00 A. Peak 6553 from nnoeabs.peaks (7.69, 8.54, 121.48 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + H ALA 46 OK 100 100 100 100 2.5-3.2 3.2=100 H CYS 45 - H HIS 5 far 0 93 0 - 9.4-58.6 Violated in 0 structures by 0.00 A. Peak 6554 from nnoeabs.peaks (4.12, 8.54, 121.48 ppm; 4.90 A): 1 out of 6 assignments used, quality = 1.00: * HA CYS 45 + H ALA 46 OK 100 100 100 100 3.4-3.6 3.6=100 HA LEU 48 - H HIS 5 far 4 84 5 - 5.4-61.2 HA LEU 48 - H ALA 46 far 0 95 0 - 6.8-7.3 HA LEU 49 - H ALA 46 far 0 92 0 - 7.4-8.3 HA ILE 32 - H ALA 46 far 0 95 0 - 8.9-15.1 HA CYS 45 - H HIS 5 far 0 93 0 - 8.9-57.6 Violated in 0 structures by 0.00 A. Peak 6555 from nnoeabs.peaks (2.94, 8.54, 121.48 ppm; 4.24 A): 1 out of 18 assignments used, quality = 0.99: * HB2 CYS 45 + H ALA 46 OK 99 100 100 99 2.1-4.2 4.4=92, 11062/11083=54...(9) HE2 LYS 36 - H ALA 46 far 9 92 10 - 5.5-13.2 HE3 LYS 36 - H ALA 46 far 8 85 10 - 4.6-14.7 HG CYS 73 - H ALA 46 far 5 99 5 - 5.3-9.5 HE2 LYS 31 - H HIS 5 far 3 68 5 - 3.3-47.9 HE3 LYS 31 - H HIS 5 far 3 61 5 - 4.7-46.7 HE3 LYS 39 - H HIS 5 far 0 81 0 - 7.4-66.1 HE3 LYS 26 - H ALA 46 far 0 71 0 - 7.4-26.4 HE2 LYS 31 - H ALA 46 far 0 78 0 - 7.8-21.2 HD2 ARG 135 - H HIS 5 far 0 92 0 - 8.0-73.1 HE2 LYS 26 - H ALA 46 far 0 71 0 - 8.4-26.1 HE2 LYS 39 - H HIS 5 far 0 87 0 - 8.6-65.5 HE3 LYS 24 - H ALA 46 far 0 85 0 - 8.6-26.5 HE2 LYS 24 - H ALA 46 far 0 95 0 - 8.7-27.5 HE2 LYS 39 - H ALA 46 far 0 97 0 - 9.2-12.2 HE3 LYS 31 - H ALA 46 far 0 71 0 - 9.4-22.0 HE2 LYS 26 - H HIS 5 far 0 61 0 - 9.5-50.3 HE3 LYS 19 - H ALA 46 far 0 78 0 - 10.0-37.4 Violated in 0 structures by 0.00 A. Peak 6556 from nnoeabs.peaks (3.13, 8.54, 121.48 ppm; 4.62 A): 2 out of 12 assignments used, quality = 1.00: * HB3 CYS 45 + H ALA 46 OK 100 100 100 100 1.9-4.2 4.4=100 HB2 HIS 4 + H HIS 5 OK 60 61 100 99 2.0-4.6 4.6=99 HB2 HIS 6 - H HIS 5 poor 19 63 30 - 4.8-7.6 HB2 HIS 7 - H HIS 5 far 4 74 5 - 5.8-10.5 HB3 HIS 3 - H HIS 5 lone 3 68 55 9 2.6-8.1 1.8/21=4, 26=3, 23/3.6=2 HB3 HIS 7 - H HIS 5 far 3 68 5 - 5.3-10.6 HB3 TYR 76 - H ALA 46 far 0 100 0 - 8.6-11.5 HB3 HIS 3 - H ALA 46 far 0 78 0 - 9.2-62.8 HB2 HIS 7 - H ALA 46 far 0 85 0 - 9.6-52.4 HB3 HIS 7 - H ALA 46 far 0 78 0 - 9.7-53.2 HB2 HIS 8 - H HIS 5 far 0 92 0 - 9.8-14.1 HB2 HIS 6 - H ALA 46 far 0 73 0 - 9.9-55.0 Violated in 0 structures by 0.00 A. Peak 6557 from nnoeabs.peaks (3.90, 8.54, 121.48 ppm; 4.03 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 46 + H ALA 46 OK 100 100 100 100 2.7-2.9 2.9=100 HA ALA 41 - H ALA 46 far 0 93 0 - 5.7-6.8 HB3 SER 50 - H ALA 46 far 0 99 0 - 6.2-8.3 HA2 GLY 2 - H HIS 5 far 0 93 0 - 6.3-10.1 HA LEU 70 - H ALA 46 far 0 93 0 - 7.3-10.6 HA3 GLY 2 - H HIS 5 far 0 93 0 - 7.4-10.0 HB3 SER 50 - H HIS 5 far 0 90 0 - 8.4-65.2 Violated in 0 structures by 0.00 A. Peak 6558 from nnoeabs.peaks (1.34, 8.54, 121.48 ppm; 3.33 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 46 + H ALA 46 OK 100 100 100 100 2.0-2.3 3.1=100 QB ALA 21 - H ALA 46 far 0 100 0 - 7.8-26.9 QB ALA 46 - H HIS 5 far 0 93 0 - 9.3-51.4 QB ALA 12 - H ALA 46 far 0 87 0 - 9.7-30.6 Violated in 0 structures by 0.00 A. Peak 6559 from nnoeabs.peaks (8.46, 8.54, 121.48 ppm; 5.58 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 47 + H ALA 46 OK 100 100 100 100 2.2-2.9 4.3=100 H LEU 70 - H ALA 46 far 5 99 5 - 6.4-9.6 H ASP 47 - H HIS 5 far 0 93 0 - 7.8-61.6 H VAL 132 - H ALA 46 far 0 92 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 6560 from nnoeabs.peaks (8.04, 8.54, 121.48 ppm; 4.37 A): 1 out of 5 assignments used, quality = 0.93: * H LEU 48 + H ALA 46 OK 93 100 100 93 4.0-4.7 6579/4.3=57, 1436/3.6=48...(7) H SER 130 - H ALA 46 far 0 97 0 - 6.0-7.6 H LEU 48 - H HIS 5 far 0 93 0 - 6.7-60.8 H ALA 52 - H HIS 5 far 0 78 0 - 9.0-61.3 H ALA 52 - H ALA 46 far 0 89 0 - 9.3-9.9 Violated in 7 structures by 0.04 A. Peak 6561 from nnoeabs.peaks (8.46, 8.46, 118.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 47 + H ASP 47 OK 100 100 - 100 Peak 6562 from nnoeabs.peaks (3.78, 8.46, 118.99 ppm; 6.13 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 43 + H ASP 47 OK 100 100 100 100 3.9-5.0 1348/6568=95...(8) HB3 SER 130 + H ASP 47 OK 98 99 100 99 3.9-6.8 10508/6568=91, 10496=36...(13) HA SER 130 + H ASP 47 OK 61 100 65 95 5.5-9.1 11864/6568=73...(11) HB2 SER 9 - H ASP 47 far 4 76 5 - 6.6-47.7 HB3 SER 9 - H ASP 47 far 4 73 5 - 7.5-47.9 Violated in 0 structures by 0.00 A. Peak 6563 from nnoeabs.peaks (4.05, 8.46, 118.99 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.99: * HA GLU 44 + H ASP 47 OK 99 100 100 99 3.2-3.9 1400/6571=63...(10) HA ILE 37 - H ASP 47 far 0 63 0 - 7.3-12.8 HB THR 65 - H ASP 47 far 0 89 0 - 7.6-10.5 Violated in 0 structures by 0.00 A. Peak 6564 from nnoeabs.peaks (7.69, 8.46, 118.99 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + H ASP 47 OK 100 100 100 100 3.8-4.2 6547=100, 3.6/6563=82...(9) H LEU 53 - H ASP 47 far 0 65 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 6565 from nnoeabs.peaks (4.12, 8.46, 118.99 ppm; 5.47 A): 3 out of 3 assignments used, quality = 1.00: * HA CYS 45 + H ASP 47 OK 100 100 100 100 3.9-4.4 2.8/6547=79...(13) HA LEU 48 + H ASP 47 OK 94 95 100 100 5.0-5.4 2.9/6579=97, 3.6/6594=68...(9) HA LEU 49 + H ASP 47 OK 39 92 45 95 6.6-7.1 2.9/6594=75...(10) Violated in 0 structures by 0.00 A. Peak 6566 from nnoeabs.peaks (8.54, 8.46, 118.99 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 46 + H ASP 47 OK 100 100 100 100 2.2-2.9 4.3=100 H HIS 5 - H ASP 47 far 0 99 0 - 7.8-61.6 H HIS 4 - H ASP 47 far 0 95 0 - 8.4-64.5 Violated in 0 structures by 0.00 A. Peak 6567 from nnoeabs.peaks (3.90, 8.46, 118.99 ppm; 5.13 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 46 + H ASP 47 OK 100 100 100 100 3.4-3.5 3.6=100 HB3 SER 50 + H ASP 47 OK 98 99 100 99 4.4-6.6 1602/2.9=73, ~1596=42...(12) HA ALA 41 - H ASP 47 far 0 93 0 - 6.6-7.7 HA2 GLY 2 - H ASP 47 far 0 100 0 - 8.7-69.0 HA LEU 70 - H ASP 47 far 0 93 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 6568 from nnoeabs.peaks (1.34, 8.46, 118.99 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 46 + H ASP 47 OK 100 100 100 100 2.7-3.1 1462=97, 10954/6571=30...(24) HG2 LYS 19 - H ASP 47 far 0 76 0 - 8.3-38.0 QB ALA 21 - H ASP 47 far 0 100 0 - 8.4-28.2 QB ALA 12 - H ASP 47 far 0 87 0 - 9.2-31.7 Violated in 0 structures by 0.00 A. Peak 6569 from nnoeabs.peaks (4.34, 8.46, 118.99 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 47 + H ASP 47 OK 100 100 100 100 2.8-2.9 2.9=100 HA LEU 69 - H ASP 47 far 0 96 0 - 7.1-9.5 HA GLN 134 - H ASP 47 far 0 97 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 6570 from nnoeabs.peaks (2.72, 8.46, 118.99 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + H ASP 47 OK 100 100 100 100 2.4-3.4 1472=92, 1.8/6571=77...(7) Violated in 0 structures by 0.00 A. Peak 6571 from nnoeabs.peaks (2.84, 8.46, 118.99 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASP 47 + H ASP 47 OK 98 100 100 98 2.1-2.7 1478=79, 1.8/6570=68...(7) HB3 ASP 131 - H ASP 47 far 0 76 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 6572 from nnoeabs.peaks (8.04, 8.46, 118.99 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 48 + H ASP 47 OK 100 100 100 100 2.4-2.8 3.6=100 H SER 130 - H ASP 47 far 0 97 0 - 6.2-8.7 H ALA 52 - H ASP 47 far 0 89 0 - 7.7-8.3 H VAL 20 - H ASP 47 far 0 87 0 - 8.9-33.3 Violated in 0 structures by 0.00 A. Peak 6573 from nnoeabs.peaks (8.30, 8.46, 118.99 ppm; 4.70 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 49 + H ASP 47 OK 100 100 100 100 3.8-4.5 6589/6579=75, 6594=74...(23) H LEU 43 + H ASP 47 OK 46 92 65 76 5.6-6.5 6535/6547=39...(13) H ALA 28 - H ASP 47 far 4 73 5 - 4.8-22.7 H LEU 69 - H ASP 47 far 0 100 0 - 7.8-10.2 H VAL 126 - H ASP 47 far 0 96 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 6574 from nnoeabs.peaks (8.04, 8.04, 122.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 48 + H LEU 48 OK 100 100 - 100 Peak 6575 from nnoeabs.peaks (4.05, 8.04, 122.99 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.98: * HA GLU 44 + H LEU 48 OK 98 100 100 98 3.8-4.9 1400/6582=64...(9) HB THR 65 - H LEU 48 far 4 89 5 - 5.8-9.9 HA ILE 37 - H LEU 48 far 0 63 0 - 8.1-13.6 Violated in 7 structures by 0.04 A. Peak 6576 from nnoeabs.peaks (4.12, 8.04, 122.99 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * HA CYS 45 + H LEU 48 OK 98 100 100 98 3.2-3.9 1438/6585=44, 1436=43...(13) HA LEU 48 + H LEU 48 OK 95 95 100 100 2.8-2.9 2.9=100 HA LEU 49 - H LEU 48 far 9 92 10 - 5.2-5.5 HA ALA 52 - H LEU 48 far 0 97 0 - 8.2-9.2 HA ILE 32 - H LEU 48 far 0 95 0 - 9.6-18.9 Violated in 0 structures by 0.00 A. Peak 6577 from nnoeabs.peaks (8.54, 8.04, 122.99 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 46 + H LEU 48 OK 100 100 100 100 4.0-4.7 6560=100, 4.3/6579=98...(7) H HIS 5 - H LEU 48 far 5 99 5 - 6.7-60.8 H HIS 4 - H LEU 48 far 5 95 5 - 8.2-63.8 Violated in 0 structures by 0.00 A. Peak 6578 from nnoeabs.peaks (3.90, 8.04, 122.99 ppm; 5.09 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 46 + H LEU 48 OK 100 100 100 100 4.0-4.8 3.6/6579=83, 2.9/6560=80...(14) HB3 SER 50 + H LEU 48 OK 92 99 95 98 4.5-6.6 1602/1467=66...(14) HA ALA 41 - H LEU 48 far 0 93 0 - 7.2-9.1 HA2 GLY 2 - H LEU 48 far 0 100 0 - 8.4-68.2 HA3 GLY 2 - H LEU 48 far 0 100 0 - 10.0-68.6 Violated in 0 structures by 0.00 A. Peak 6579 from nnoeabs.peaks (8.46, 8.04, 122.99 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + H LEU 48 OK 100 100 100 100 2.4-2.8 3.6=95, 2.9/1467=58...(17) H LEU 70 - H LEU 48 far 0 99 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 6580 from nnoeabs.peaks (4.34, 8.04, 122.99 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 47 + H LEU 48 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 69 - H LEU 48 far 0 96 0 - 8.0-11.0 HA LYS 24 - H LEU 48 far 0 99 0 - 9.5-29.5 Violated in 0 structures by 0.00 A. Peak 6581 from nnoeabs.peaks (2.72, 8.04, 122.99 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + H LEU 48 OK 100 100 100 100 2.3-4.1 1476=78, 1.8/6582=74...(9) Violated in 7 structures by 0.05 A. Peak 6582 from nnoeabs.peaks (2.84, 8.04, 122.99 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + H LEU 48 OK 100 100 100 100 2.6-4.0 1482=77, 1.8/6581=75...(9) Violated in 1 structures by 0.01 A. Peak 6583 from nnoeabs.peaks (4.11, 8.04, 122.99 ppm; 3.73 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 48 + H LEU 48 OK 100 100 100 100 2.8-2.9 2.9=100 HA CYS 45 + H LEU 48 OK 93 95 100 98 3.2-3.9 1438/6585=41...(13) HA LEU 49 - H LEU 48 far 10 100 10 - 5.2-5.5 HA ALA 52 - H LEU 48 far 0 76 0 - 8.2-9.2 HA ILE 32 - H LEU 48 far 0 100 0 - 9.6-18.9 Violated in 0 structures by 0.00 A. Peak 6584 from nnoeabs.peaks (1.78, 8.04, 122.99 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 48 + H LEU 48 OK 100 100 100 100 2.0-3.6 1.8/6585=78, 3.9=71...(23) Violated in 1 structures by 0.00 A. Peak 6585 from nnoeabs.peaks (1.89, 8.04, 122.99 ppm; 3.26 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LEU 48 + H LEU 48 OK 99 100 100 99 2.0-3.6 1.8/6584=64, 3.9=58...(25) HB3 LEU 49 - H LEU 48 far 0 78 0 - 6.1-6.4 HB3 LYS 36 - H LEU 48 far 0 97 0 - 7.8-16.5 HB3 LEU 123 - H LEU 48 far 0 85 0 - 9.6-13.4 Violated in 15 structures by 0.19 A. Peak 6586 from nnoeabs.peaks (1.71, 8.04, 122.99 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 48 + H LEU 48 OK 100 100 100 100 3.5-4.3 1512=90, 3.0/6585=61...(23) HB2 LEU 43 - H LEU 48 far 0 93 0 - 7.0-8.5 Violated in 18 structures by 0.33 A. Peak 6587 from nnoeabs.peaks (0.91, 8.04, 122.99 ppm; 3.83 A): 3 out of 10 assignments used, quality = 1.00: * QD2 LEU 48 + H LEU 48 OK 100 100 100 100 1.7-4.0 2.1/6586=75, 3.1/6585=65...(30) QD1 LEU 48 + H LEU 48 OK 92 92 100 100 1.9-4.4 2.1/6586=75, 3.1/6585=66...(31) QD1 LEU 49 + H LEU 48 OK 80 100 90 89 4.6-5.7 4.7/6589=39...(20) QG1 VAL 20 - H LEU 48 far 5 100 5 - 4.1-25.4 QG2 VAL 20 - H LEU 48 far 4 89 5 - 5.2-25.8 QD2 LEU 123 - H LEU 48 far 0 73 0 - 6.2-10.0 QD1 LEU 123 - H LEU 48 far 0 85 0 - 6.4-9.5 QG2 ILE 37 - H LEU 48 far 0 65 0 - 7.5-13.4 QD1 LEU 22 - H LEU 48 far 0 93 0 - 8.2-26.5 QD1 LEU 62 - H LEU 48 far 0 100 0 - 8.8-12.5 Violated in 0 structures by 0.00 A. Peak 6588 from nnoeabs.peaks (0.92, 8.04, 122.99 ppm; 3.83 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 48 + H LEU 48 OK 100 100 100 100 1.9-4.4 2.1/6586=75, 1528=71...(32) QD2 LEU 48 + H LEU 48 OK 92 92 100 100 1.7-4.0 2.1/6586=75, 3.1/6585=65...(28) QD1 LEU 49 + H LEU 48 OK 78 97 90 90 4.6-5.7 4.7/6589=39...(21) QG1 VAL 20 - H LEU 48 far 5 90 5 - 4.1-25.4 QD1 LEU 123 - H LEU 48 far 0 100 0 - 6.4-9.5 QG2 ILE 37 - H LEU 48 far 0 96 0 - 7.5-13.4 QD1 LEU 22 - H LEU 48 far 0 60 0 - 8.2-26.5 QD1 LEU 62 - H LEU 48 far 0 97 0 - 8.8-12.5 QG1 VAL 57 - H LEU 48 far 0 71 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 6589 from nnoeabs.peaks (8.30, 8.04, 122.99 ppm; 3.56 A): 1 out of 6 assignments used, quality = 0.99: * H LEU 49 + H LEU 48 OK 99 100 100 99 2.6-3.0 4.0=73, 6598/6584=40...(21) H ALA 28 - H LEU 48 far 4 73 5 - 3.7-22.6 H LEU 43 - H LEU 48 far 0 92 0 - 7.4-8.7 H LEU 69 - H LEU 48 far 0 100 0 - 7.7-11.2 H ALA 21 - H LEU 48 far 0 100 0 - 8.7-31.3 H GLY 17 - H LEU 48 far 0 89 0 - 8.9-33.3 Violated in 0 structures by 0.00 A. Peak 6590 from nnoeabs.peaks (8.66, 8.04, 122.99 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * H SER 50 + H LEU 48 OK 100 100 100 100 3.8-4.1 3.2/6589=83...(22) H HIS 8 - H LEU 48 far 0 100 0 - 8.6-50.4 Violated in 0 structures by 0.00 A. Peak 6591 from nnoeabs.peaks (8.30, 8.30, 120.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 49 + H LEU 49 OK 100 100 - 100 Peak 6592 from nnoeabs.peaks (4.12, 8.30, 120.94 ppm; 4.51 A): 3 out of 5 assignments used, quality = 1.00: * HA CYS 45 + H LEU 49 OK 99 100 100 99 3.8-5.4 1437/6598=53...(15) HA LEU 48 + H LEU 49 OK 95 95 100 100 3.5-3.6 3.6=100 HA LEU 49 + H LEU 49 OK 92 92 100 100 2.7-2.9 2.9=100 HA ALA 52 - H LEU 49 far 0 97 0 - 7.0-7.6 HA ILE 32 - H LEU 49 far 0 95 0 - 9.3-18.8 Violated in 0 structures by 0.00 A. Peak 6593 from nnoeabs.peaks (3.90, 8.30, 120.94 ppm; 4.44 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 46 + H LEU 49 OK 99 100 100 99 3.5-4.1 1455=47, 3.6/6594=46...(18) HB3 SER 50 + H LEU 49 OK 93 99 100 94 4.2-5.9 4.7/6610=45...(18) HA2 GLY 2 - H LEU 49 far 0 100 0 - 8.4-67.5 HA ALA 41 - H LEU 49 far 0 93 0 - 8.7-11.0 HA LEU 70 - H LEU 49 far 0 93 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 6594 from nnoeabs.peaks (8.46, 8.30, 120.94 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + H LEU 49 OK 100 100 100 100 3.8-4.5 6579/6589=86, 6573=69...(23) H LEU 70 - H LEU 49 far 0 99 0 - 7.8-11.5 Violated in 0 structures by 0.00 A. Peak 6596 from nnoeabs.peaks (8.04, 8.30, 120.94 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 48 + H LEU 49 OK 100 100 100 100 2.6-3.0 6589=100, 6584/6598=47...(21) H ALA 52 + H LEU 49 OK 88 89 100 99 4.6-4.9 3.1/6610=48, 2.9/9247=43...(31) H VAL 20 - H LEU 49 far 0 87 0 - 7.0-31.2 H SER 130 - H LEU 49 far 0 97 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 6597 from nnoeabs.peaks (4.11, 8.30, 120.94 ppm; 4.54 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 48 + H LEU 49 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 49 + H LEU 49 OK 100 100 100 100 2.7-2.9 2.9=100 HA CYS 45 + H LEU 49 OK 94 95 100 99 3.8-5.4 1437/6598=49...(15) HA ALA 52 - H LEU 49 far 0 76 0 - 7.0-7.6 HA ILE 32 - H LEU 49 far 0 100 0 - 9.3-18.8 Violated in 0 structures by 0.00 A. Peak 6598 from nnoeabs.peaks (1.78, 8.30, 120.94 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 48 + H LEU 49 OK 100 100 100 100 2.1-4.1 4.6=72, 6584/6589=64...(46) HG LEU 100 - H LEU 49 far 0 100 0 - 8.0-15.1 HB3 LEU 122 - H LEU 49 far 0 95 0 - 9.0-13.1 Violated in 0 structures by 0.00 A. Peak 6599 from nnoeabs.peaks (1.89, 8.30, 120.94 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 48 + H LEU 49 OK 100 100 100 100 2.1-4.1 1.8/6598=79, 4.6=76...(48) HB3 LEU 49 + H LEU 49 OK 78 78 100 100 3.5-3.6 3.9=100 HB3 LEU 123 - H LEU 49 far 0 85 0 - 7.4-11.2 HB3 LYS 36 - H LEU 49 far 0 97 0 - 8.4-17.6 Violated in 0 structures by 0.00 A. Peak 6600 from nnoeabs.peaks (1.71, 8.30, 120.94 ppm; 4.77 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 48 + H LEU 49 OK 100 100 100 100 2.7-4.8 6586/6589=77...(43) HB2 LEU 43 - H LEU 49 far 0 93 0 - 9.1-10.4 HB2 LEU 70 - H LEU 49 far 0 100 0 - 9.1-13.7 HB3 LEU 70 - H LEU 49 far 0 100 0 - 9.7-13.8 Violated in 2 structures by 0.00 A. Peak 6601 from nnoeabs.peaks (0.91, 8.30, 120.94 ppm; 4.53 A): 5 out of 12 assignments used, quality = 1.00: * QD2 LEU 48 + H LEU 49 OK 100 100 100 100 1.9-3.3 1527=71, 2.1/6600=69...(58) QD1 LEU 49 + H LEU 49 OK 100 100 100 100 3.0-4.0 4.7=90, 2.1/6606=76...(32) QD1 LEU 48 + H LEU 49 OK 92 92 100 100 1.5-4.3 3.1/6598=69, 2.1/6600=69...(61) QD2 LEU 123 + H LEU 49 OK 56 73 85 90 4.4-8.1 11510/11703=24...(29) QD1 LEU 123 + H LEU 49 OK 39 85 50 92 4.4-7.6 1562/3.9=15...(29) QG1 VAL 20 - H LEU 49 far 5 100 5 - 3.9-24.4 QG2 VAL 20 - H LEU 49 far 4 89 5 - 4.5-23.9 QD1 LEU 62 - H LEU 49 far 0 100 0 - 6.4-10.2 QG2 ILE 37 - H LEU 49 far 0 65 0 - 6.9-13.9 QG2 VAL 63 - H LEU 49 far 0 100 0 - 8.8-12.5 QG1 VAL 118 - H LEU 49 far 0 98 0 - 8.8-14.1 QD1 LEU 22 - H LEU 49 far 0 93 0 - 9.7-24.7 Violated in 0 structures by 0.00 A. Peak 6602 from nnoeabs.peaks (0.92, 8.30, 120.94 ppm; 4.51 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 48 + H LEU 49 OK 100 100 100 100 1.5-4.3 3.1/6598=68, 2.1/6600=68...(61) QD1 LEU 49 + H LEU 49 OK 97 97 100 100 3.0-4.0 4.7=89, 2.1/6606=75...(33) QD2 LEU 48 + H LEU 49 OK 92 92 100 100 1.9-3.3 2.1/6600=68, 3.1/6598=68...(58) QD1 LEU 123 + H LEU 49 OK 42 100 45 93 4.4-7.6 11640/11703=17...(29) QG1 VAL 20 - H LEU 49 far 5 90 5 - 3.9-24.4 QD1 LEU 62 - H LEU 49 far 0 97 0 - 6.4-10.2 QG2 ILE 37 - H LEU 49 far 0 96 0 - 6.9-13.9 QG1 VAL 57 - H LEU 49 far 0 71 0 - 7.5-9.7 QG2 VAL 63 - H LEU 49 far 0 95 0 - 8.8-12.5 QG1 VAL 118 - H LEU 49 far 0 73 0 - 8.8-14.1 QD1 LEU 119 - H LEU 49 far 0 87 0 - 9.3-14.2 QD1 LEU 22 - H LEU 49 far 0 60 0 - 9.7-24.7 Violated in 0 structures by 0.00 A. Peak 6603 from nnoeabs.peaks (4.11, 8.30, 120.94 ppm; 4.53 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 49 + H LEU 49 OK 100 100 100 100 2.7-2.9 2.9=100 HA LEU 48 + H LEU 49 OK 100 100 100 100 3.5-3.6 3.6=100 HA CYS 45 + H LEU 49 OK 91 92 100 99 3.8-5.4 1437/6598=46...(15) HA ALA 52 - H LEU 49 far 0 71 0 - 7.0-7.6 HA ILE 32 - H LEU 49 far 0 100 0 - 9.3-18.8 Violated in 0 structures by 0.00 A. Peak 6604 from nnoeabs.peaks (1.50, 8.30, 120.94 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 49 + H LEU 49 OK 100 100 100 100 2.2-3.0 3.9=90, 3.0/6606=46...(40) QB ALA 52 + H LEU 49 OK 84 87 100 97 4.2-4.9 9247=43, 2.9/6596=26...(25) HG LEU 69 - H LEU 49 far 9 89 10 - 5.1-8.7 HB2 LEU 53 - H LEU 49 far 0 73 0 - 7.3-9.3 HG LEU 42 - H LEU 49 far 0 97 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 6605 from nnoeabs.peaks (1.92, 8.30, 120.94 ppm; 4.04 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 49 + H LEU 49 OK 100 100 100 100 3.5-3.6 3.9=100 HB3 LEU 48 + H LEU 49 OK 78 78 100 100 2.1-4.1 1.8/6598=73, 4.6=67...(48) HG LEU 53 + H LEU 49 OK 29 83 40 87 4.7-8.3 6619/3.2=21, 1583/4.7=17...(18) HB3 LEU 123 - H LEU 49 far 0 53 0 - 7.4-11.2 Violated in 0 structures by 0.00 A. Peak 6606 from nnoeabs.peaks (1.57, 8.30, 120.94 ppm; 4.45 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 49 + H LEU 49 OK 100 100 100 100 1.6-2.9 5.0=70, 2.1/6607=65...(39) HG LEU 123 - H LEU 49 far 0 100 0 - 6.5-10.5 HB2 LEU 119 - H LEU 49 far 0 65 0 - 9.3-15.7 HB3 LEU 42 - H LEU 49 far 0 63 0 - 9.7-11.8 HG13 ILE 37 - H LEU 49 far 0 97 0 - 9.7-17.5 HG2 ARG 23 - H LEU 49 far 0 100 0 - 9.8-28.6 Violated in 0 structures by 0.00 A. Peak 6607 from nnoeabs.peaks (0.80, 8.30, 120.94 ppm; 4.17 A): 2 out of 11 assignments used, quality = 1.00: * QD2 LEU 49 + H LEU 49 OK 100 100 100 100 3.1-3.6 2.1/6606=65, 5.0=59...(39) QD1 LEU 53 + H LEU 49 OK 22 100 25 89 4.8-7.8 6621/3.2=25, 1541/2.9=22...(19) QD1 ILE 32 - H LEU 49 far 12 83 15 - 4.8-13.0 QD1 ILE 37 - H LEU 49 far 0 87 0 - 6.2-13.7 QD1 LEU 122 - H LEU 49 far 0 97 0 - 6.2-9.4 QD2 LEU 122 - H LEU 49 far 0 97 0 - 6.5-10.4 QD2 LEU 119 - H LEU 49 far 0 100 0 - 7.0-16.0 QD1 LEU 70 - H LEU 49 far 0 78 0 - 7.0-13.2 QD1 LEU 96 - H LEU 49 far 0 71 0 - 8.3-11.7 QG2 ILE 129 - H LEU 49 far 0 71 0 - 8.7-11.5 QG1 VAL 63 - H LEU 49 far 0 93 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 6608 from nnoeabs.peaks (0.91, 8.30, 120.94 ppm; 4.54 A): 5 out of 13 assignments used, quality = 1.00: * QD1 LEU 49 + H LEU 49 OK 100 100 100 100 3.0-4.0 4.7=91, 2.1/6606=76...(33) QD2 LEU 48 + H LEU 49 OK 100 100 100 100 1.9-3.3 1527=70, 2.1/6600=69...(58) QD1 LEU 48 + H LEU 49 OK 97 97 100 100 1.5-4.3 3.1/6598=69, 2.1/6600=69...(61) QD2 LEU 123 + H LEU 49 OK 47 63 85 88 4.4-8.1 11510/11703=19...(29) QD1 LEU 123 + H LEU 49 OK 43 92 50 93 4.4-7.6 11640/11703=16...(30) QG1 VAL 20 - H LEU 49 far 5 100 5 - 3.9-24.4 QG2 VAL 20 - H LEU 49 far 4 81 5 - 4.5-23.9 QD1 LEU 62 - H LEU 49 far 0 100 0 - 6.4-10.2 QG2 ILE 37 - H LEU 49 far 0 76 0 - 6.9-13.9 QG2 VAL 63 - H LEU 49 far 0 100 0 - 8.8-12.5 QG1 VAL 118 - H LEU 49 far 0 95 0 - 8.8-14.1 QD1 LEU 119 - H LEU 49 far 0 60 0 - 9.3-14.2 QD1 LEU 22 - H LEU 49 far 0 87 0 - 9.7-24.7 Violated in 0 structures by 0.00 A. Peak 6609 from nnoeabs.peaks (8.66, 8.30, 120.94 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * H SER 50 + H LEU 49 OK 100 100 100 100 2.4-2.8 3.2=100 H HIS 67 - H LEU 49 far 0 100 0 - 7.6-11.6 Violated in 0 structures by 0.00 A. Peak 6610 from nnoeabs.peaks (7.98, 8.30, 120.94 ppm; 4.34 A): 1 out of 4 assignments used, quality = 0.99: * H SER 51 + H LEU 49 OK 99 100 100 99 4.0-4.5 6631=43, 1491/3.6=32...(25) H ASP 64 - H LEU 49 far 0 71 0 - 8.7-12.2 H THR 18 - H LEU 49 far 0 97 0 - 8.9-32.2 H ILE 129 - H LEU 49 far 0 85 0 - 9.7-12.0 Violated in 6 structures by 0.02 A. Peak 6611 from nnoeabs.peaks (8.66, 8.66, 113.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 50 + H SER 50 OK 100 100 - 100 H SER 60 + H SER 60 OK 91 91 - 100 Peak 6612 from nnoeabs.peaks (3.90, 8.66, 113.28 ppm; 4.45 A): 4 out of 10 assignments used, quality = 1.00: HB3 SER 50 + H SER 50 OK 99 99 100 100 2.1-3.5 3.9=100 * HA ALA 46 + H SER 50 OK 97 100 100 97 3.7-4.8 2.1/9213=45, 1455/3.2=34...(21) HB2 SER 60 + H SER 60 OK 85 85 100 100 2.1-3.6 4.0=100 HB3 SER 60 + H SER 60 OK 85 85 100 100 2.2-3.6 4.0=100 HA2 GLY 114 - H SER 60 poor 17 85 20 - 4.3-14.4 HA2 GLY 2 - H SER 50 far 5 100 5 - 5.9-69.6 HA3 GLY 2 - H SER 50 far 0 100 0 - 7.6-70.0 HB2 SER 107 - H SER 60 far 0 56 0 - 7.8-16.2 HA2 GLY 14 - H SER 60 far 0 66 0 - 9.7-39.3 HA3 GLY 14 - H SER 60 far 0 64 0 - 10.0-38.3 Violated in 0 structures by 0.00 A. Peak 6613 from nnoeabs.peaks (4.34, 8.66, 113.28 ppm; 4.25 A): 2 out of 7 assignments used, quality = 1.00: * HA ASP 47 + H SER 50 OK 99 100 100 99 3.1-3.9 1467/6590=48, 1468=47...(16) HA ASN 59 + H SER 60 OK 90 90 100 100 3.4-3.5 3.6=100 HA PRO 113 - H SER 60 poor 15 52 30 - 3.6-12.6 HA LEU 69 - H SER 50 far 0 96 0 - 8.9-11.2 HA LYS 24 - H SER 50 far 0 99 0 - 8.9-28.7 HA LYS 24 - H SER 60 far 0 91 0 - 9.6-29.3 HA PRO 117 - H SER 60 far 0 64 0 - 9.9-20.2 Violated in 0 structures by 0.00 A. Peak 6614 from nnoeabs.peaks (8.04, 8.66, 113.28 ppm; 5.38 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 48 + H SER 50 OK 100 100 100 100 3.8-4.1 6590=100, 6589/3.2=93...(22) H ALA 52 + H SER 50 OK 89 89 100 100 3.7-4.2 6645=83, ~9247=46...(31) H SER 130 - H SER 50 far 0 97 0 - 7.3-10.4 H VAL 20 - H SER 50 far 0 87 0 - 7.4-32.8 H CYS 125 - H SER 50 far 0 100 0 - 9.2-11.3 H VAL 20 - H SER 60 far 0 77 0 - 9.3-36.0 H ALA 16 - H SER 60 far 0 82 0 - 9.5-39.1 H ALA 16 - H SER 50 far 0 92 0 - 9.7-35.3 Violated in 0 structures by 0.00 A. Peak 6615 from nnoeabs.peaks (4.11, 8.66, 113.28 ppm; 4.59 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 49 + H SER 50 OK 100 100 100 100 3.5-3.5 3.6=100 * HA LEU 48 + H SER 50 OK 100 100 100 100 4.0-4.5 2.9/6590=62, 1491/3.1=39...(24) HA CYS 45 - H SER 50 far 5 95 5 - 6.0-7.3 HA3 GLY 114 - H SER 60 far 4 82 5 - 5.5-14.6 HA ALA 52 - H SER 50 far 0 76 0 - 6.6-7.0 HA GLN 104 - H SER 60 far 0 73 0 - 7.0-10.0 Violated in 0 structures by 0.00 A. Peak 6616 from nnoeabs.peaks (8.30, 8.66, 113.28 ppm; 3.65 A): 1 out of 11 assignments used, quality = 1.00: * H LEU 49 + H SER 50 OK 100 100 100 100 2.4-2.8 3.2=100 H ALA 110 - H SER 60 poor 19 94 20 - 3.1-18.0 H GLY 111 - H SER 60 far 9 94 10 - 3.7-16.0 H GLY 17 - H SER 50 far 0 89 0 - 7.4-34.2 H ALA 28 - H SER 50 far 0 73 0 - 7.6-23.9 H VAL 126 - H SER 50 far 0 96 0 - 8.1-10.1 H ALA 28 - H SER 60 far 0 64 0 - 8.2-21.7 H LEU 69 - H SER 50 far 0 100 0 - 8.2-11.0 H GLY 17 - H SER 60 far 0 79 0 - 8.8-39.6 H ALA 21 - H SER 50 far 0 100 0 - 9.9-31.2 H LEU 43 - H SER 50 far 0 92 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 6617 from nnoeabs.peaks (4.11, 8.66, 113.28 ppm; 4.59 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 49 + H SER 50 OK 100 100 100 100 3.5-3.5 3.6=100 HA LEU 48 + H SER 50 OK 100 100 100 100 4.0-4.5 2.9/6590=62, 1491/3.1=39...(24) HA CYS 45 - H SER 50 far 5 92 5 - 6.0-7.3 HA3 GLY 114 - H SER 60 far 4 79 5 - 5.5-14.6 HA ALA 52 - H SER 50 far 0 71 0 - 6.6-7.0 HA GLN 104 - H SER 60 far 0 77 0 - 7.0-10.0 Violated in 0 structures by 0.00 A. Peak 6618 from nnoeabs.peaks (1.50, 8.66, 113.28 ppm; 4.08 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 49 + H SER 50 OK 100 100 100 100 3.7-4.2 4.6=69, 1.8/6619=53...(51) QB ALA 52 + H SER 50 OK 83 87 100 96 4.5-5.1 2.9/6645=43, 9247/3.2=40...(24) HG LEU 69 - H SER 50 far 0 89 0 - 5.9-9.0 HB2 LEU 53 - H SER 50 far 0 73 0 - 6.1-7.3 QB ALA 52 - H SER 60 far 0 77 0 - 7.9-9.9 HG LEU 42 - H SER 50 far 0 97 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 6619 from nnoeabs.peaks (1.92, 8.66, 113.28 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 49 + H SER 50 OK 100 100 100 100 3.6-4.1 4.6=58, 1.8/6618=37...(52) HG LEU 53 + H SER 50 OK 53 83 65 98 4.1-6.8 2.1/6621=26...(35) HB3 LEU 48 - H SER 50 poor 20 78 25 - 4.6-5.9 HB2 PRO 113 - H SER 60 far 0 92 0 - 5.9-13.4 HB3 LEU 123 - H SER 50 far 0 53 0 - 6.0-9.4 HG2 PRO 113 - H SER 60 far 0 80 0 - 6.4-14.8 Violated in 2 structures by 0.01 A. Peak 6620 from nnoeabs.peaks (1.57, 8.66, 113.28 ppm; 4.83 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 49 + H SER 50 OK 100 100 100 100 2.3-2.7 6606/3.2=70, 3.0/6619=54...(42) HG LEU 123 + H SER 50 OK 49 100 50 99 5.0-9.0 ~11874=42, ~11636=35...(30) HB2 LEU 22 - H SER 60 far 3 54 5 - 6.3-31.1 HG LEU 103 - H SER 60 far 0 80 0 - 7.2-8.5 HB2 LEU 119 - H SER 60 far 0 56 0 - 7.8-13.5 HB2 LEU 119 - H SER 50 far 0 65 0 - 8.1-14.8 HG2 ARG 23 - H SER 60 far 0 93 0 - 8.8-30.1 HG LEU 123 - H SER 60 far 0 93 0 - 9.6-16.0 HB2 LEU 103 - H SER 60 far 0 93 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 6621 from nnoeabs.peaks (0.80, 8.66, 113.28 ppm; 3.98 A): 2 out of 17 assignments used, quality = 1.00: * QD2 LEU 49 + H SER 50 OK 100 100 100 100 3.9-4.2 6607/3.2=44, 3.2/6619=39...(44) QD1 LEU 53 + H SER 50 OK 74 100 75 99 3.5-6.1 9218/2.9=28...(35) QD2 LEU 119 - H SER 60 poor 12 93 35 37 4.3-13.5 10927/9338=14...(7) QG1 VAL 63 - H SER 60 far 0 84 0 - 5.5-6.6 QD1 LEU 122 - H SER 50 far 0 97 0 - 5.9-9.0 QD2 LEU 122 - H SER 50 far 0 97 0 - 5.9-10.3 QD1 LEU 103 - H SER 60 far 0 82 0 - 6.1-7.9 QD2 LEU 119 - H SER 50 far 0 100 0 - 6.6-15.2 QD1 ILE 32 - H SER 50 far 0 83 0 - 6.8-14.5 QD1 ILE 32 - H SER 60 far 0 73 0 - 6.9-17.6 QD1 LEU 122 - H SER 60 far 0 89 0 - 7.6-12.2 QD1 LEU 70 - H SER 50 far 0 78 0 - 7.9-13.3 QD1 ILE 37 - H SER 50 far 0 87 0 - 7.9-15.1 QD2 LEU 122 - H SER 60 far 0 89 0 - 7.9-12.4 QD1 LEU 96 - H SER 50 far 0 71 0 - 8.4-11.6 QG2 ILE 129 - H SER 50 far 0 71 0 - 8.5-11.2 QD1 LEU 53 - H SER 60 far 0 93 0 - 8.6-13.9 Violated in 5 structures by 0.01 A. Peak 6622 from nnoeabs.peaks (0.91, 8.66, 113.28 ppm; 3.75 A): 6 out of 23 assignments used, quality = 1.00: * QD1 LEU 49 + H SER 50 OK 100 100 100 100 1.9-2.7 1581/3.6=41, 3.2/6619=34...(39) QD2 LEU 48 + H SER 50 OK 98 100 100 98 4.2-5.0 1527/3.2=37, 5.0/6590=26...(30) QD1 LEU 48 + H SER 50 OK 84 97 90 97 3.6-6.0 4.8/6590=28, 1535/3.2=26...(32) QG2 VAL 63 + H SER 60 OK 74 94 80 98 4.2-5.6 ~10978=33, ~2020=32...(20) QD1 LEU 123 + H SER 50 OK 60 92 70 93 3.2-6.0 11874/2.9=41, ~11636=21...(32) QD2 LEU 123 + H SER 50 OK 47 63 85 88 3.2-6.7 ~11874=25, 11636/2.9=19...(31) QG2 VAL 112 - H SER 60 far 13 88 15 - 3.2-15.1 QD1 LEU 62 - H SER 60 far 9 94 10 - 4.5-6.5 QG1 VAL 20 - H SER 50 far 5 100 5 - 4.5-26.3 QD1 LEU 119 - H SER 60 far 0 52 0 - 5.7-11.8 QG2 VAL 20 - H SER 50 far 0 81 0 - 6.0-25.3 QD1 LEU 22 - H SER 60 far 0 77 0 - 6.4-28.4 QD1 LEU 62 - H SER 50 far 0 100 0 - 6.7-10.1 QG1 VAL 118 - H SER 60 far 0 85 0 - 7.9-14.2 QG2 VAL 20 - H SER 60 far 0 71 0 - 8.1-27.5 QD2 LEU 48 - H SER 60 far 0 93 0 - 8.1-15.3 QG2 ILE 37 - H SER 50 far 0 76 0 - 8.2-14.9 QG1 VAL 118 - H SER 50 far 0 95 0 - 8.4-13.5 QD2 LEU 123 - H SER 60 far 0 54 0 - 8.7-13.1 QD1 LEU 119 - H SER 50 far 0 60 0 - 8.7-13.7 QD1 LEU 123 - H SER 60 far 0 82 0 - 8.9-15.2 QG1 VAL 20 - H SER 60 far 0 93 0 - 9.6-29.9 QD1 LEU 48 - H SER 60 far 0 88 0 - 9.6-16.4 Violated in 0 structures by 0.00 A. Peak 6623 from nnoeabs.peaks (4.00, 8.66, 113.28 ppm; 3.30 A): 3 out of 14 assignments used, quality = 1.00: * HA SER 50 + H SER 50 OK 100 100 100 100 2.8-2.8 2.9=100 HA SER 60 + H SER 60 OK 85 85 100 100 2.8-2.9 2.8=100 HB3 SER 51 + H SER 50 OK 58 92 75 84 4.5-5.4 ~1616=26, 1588=23...(18) HA GLN 127 - H SER 50 far 7 65 10 - 4.7-7.3 HB2 SER 106 - H SER 60 far 0 49 0 - 5.4-16.5 HB3 SER 106 - H SER 60 far 0 77 0 - 7.0-16.6 HA THR 65 - H SER 50 far 0 68 0 - 7.6-9.9 HA VAL 20 - H SER 60 far 0 92 0 - 7.7-33.1 HA LEU 119 - H SER 60 far 0 52 0 - 8.0-14.2 HA LEU 119 - H SER 50 far 0 60 0 - 8.1-14.3 HA VAL 20 - H SER 50 far 0 99 0 - 8.4-31.7 HB2 SER 124 - H SER 50 far 0 100 0 - 9.7-12.8 HA LEU 103 - H SER 60 far 0 73 0 - 9.7-11.6 HA ILE 37 - H SER 50 far 0 73 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 6624 from nnoeabs.peaks (3.84, 8.66, 113.28 ppm; 4.03 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 50 + H SER 50 OK 100 100 100 100 2.3-3.5 3.9=100 HD3 PRO 58 - H SER 60 far 0 77 0 - 5.6-6.3 HA LEU 123 - H SER 50 far 0 97 0 - 5.6-8.1 HB2 SER 130 - H SER 50 far 0 90 0 - 6.1-9.1 HA LEU 62 - H SER 60 far 0 91 0 - 6.6-7.0 HA LEU 62 - H SER 50 far 0 99 0 - 7.2-9.5 Violated in 0 structures by 0.00 A. Peak 6625 from nnoeabs.peaks (3.89, 8.66, 113.28 ppm; 4.44 A): 4 out of 7 assignments used, quality = 1.00: * HB3 SER 50 + H SER 50 OK 100 100 100 100 2.1-3.5 3.9=100 HA ALA 46 + H SER 50 OK 96 99 100 97 3.7-4.8 2.1/9213=44, 1455/3.2=34...(21) HB2 SER 60 + H SER 60 OK 73 73 100 100 2.1-3.6 4.0=100 HB3 SER 60 + H SER 60 OK 73 73 100 100 2.2-3.6 4.0=100 HA2 GLY 114 - H SER 60 far 14 92 15 - 4.3-14.4 HA2 GLY 2 - H SER 50 far 5 100 5 - 5.9-69.6 HA3 GLY 2 - H SER 50 far 0 100 0 - 7.6-70.0 Violated in 0 structures by 0.00 A. Peak 6626 from nnoeabs.peaks (7.98, 8.66, 113.28 ppm; 3.84 A): 1 out of 6 assignments used, quality = 1.00: * H SER 51 + H SER 50 OK 100 100 100 100 2.5-2.8 3.1=100 H ASP 64 - H SER 60 far 0 61 0 - 5.6-6.2 H THR 18 - H SER 60 far 0 88 0 - 7.4-39.6 H VAL 57 - H SER 60 far 0 66 0 - 8.0-8.6 H THR 18 - H SER 50 far 0 97 0 - 8.2-33.9 H ILE 129 - H SER 50 far 0 85 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 6627 from nnoeabs.peaks (8.03, 8.66, 113.28 ppm; 4.06 A): 2 out of 8 assignments used, quality = 1.00: * H ALA 52 + H SER 50 OK 99 100 100 99 3.7-4.2 6645=49, 2.9/6618=27...(30) H LEU 48 + H SER 50 OK 87 89 100 98 3.8-4.1 6589/3.2=54, 6590=51...(22) H SER 130 - H SER 50 far 0 99 0 - 7.3-10.4 H VAL 57 - H SER 60 far 0 68 0 - 8.0-8.6 H ILE 129 - H SER 50 far 0 68 0 - 8.8-11.2 H CYS 125 - H SER 50 far 0 92 0 - 9.2-11.3 H ALA 16 - H SER 60 far 0 94 0 - 9.5-39.1 H ALA 16 - H SER 50 far 0 100 0 - 9.7-35.3 Violated in 0 structures by 0.00 A. Peak 6628 from nnoeabs.peaks (7.98, 7.98, 115.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 51 + H SER 51 OK 100 100 - 100 H SER 94 + H SER 94 OK 91 91 - 100 Peak 6629 from nnoeabs.peaks (4.34, 7.98, 115.88 ppm; 5.31 A): 1 out of 4 assignments used, quality = 0.98: * HA ASP 47 + H SER 51 OK 98 100 100 98 4.0-4.7 1468/3.1=65, 1602/4.7=58...(9) HA LYS 24 - H SER 51 far 5 99 5 - 6.7-30.6 HA CYS 125 - H SER 94 far 0 87 0 - 7.2-9.5 HA LYS 24 - H SER 94 far 0 91 0 - 9.4-32.2 Violated in 0 structures by 0.00 A. Peak 6630 from nnoeabs.peaks (4.11, 7.98, 115.88 ppm; 5.14 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 48 + H SER 51 OK 100 100 100 100 3.3-3.9 1492/1616=80...(21) HA LEU 49 + H SER 51 OK 100 100 100 100 3.8-4.5 2.9/6610=82, 1491=40...(21) HA ALA 52 + H SER 51 OK 74 76 100 98 5.0-5.2 3.6/6658=70, 2.1/9224=45...(9) HA PHE 89 - H SER 94 far 10 66 15 - 6.2-7.2 HA CYS 45 - H SER 51 far 0 95 0 - 7.9-8.6 HA LEU 98 - H SER 94 far 0 94 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 6631 from nnoeabs.peaks (8.30, 7.98, 115.88 ppm; 4.99 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 49 + H SER 51 OK 100 100 100 100 4.0-4.5 6610=100, 3.6/1491=41...(25) H LEU 96 + H SER 94 OK 52 54 100 96 3.7-4.5 7311/3.6=36...(20) H GLY 17 - H SER 51 far 4 89 5 - 4.9-35.4 H ALA 28 - H SER 94 far 0 64 0 - 7.1-27.0 H VAL 126 - H SER 94 far 0 87 0 - 7.8-9.3 H SER 99 - H SER 94 far 0 88 0 - 7.9-8.9 H ALA 28 - H SER 51 far 0 73 0 - 8.1-26.1 H ALA 21 - H SER 51 far 0 100 0 - 8.1-32.5 Violated in 0 structures by 0.00 A. Peak 6632 from nnoeabs.peaks (4.11, 7.98, 115.88 ppm; 5.16 A): 3 out of 6 assignments used, quality = 1.00: HA LEU 48 + H SER 51 OK 100 100 100 100 3.3-3.9 1492/1616=80...(21) * HA LEU 49 + H SER 51 OK 100 100 100 100 3.8-4.5 2.9/6610=82, 1491=40...(21) HA ALA 52 + H SER 51 OK 69 71 100 98 5.0-5.2 3.6/6658=71, 2.1/9224=46...(9) HA PHE 89 - H SER 94 far 11 71 15 - 6.2-7.2 HA CYS 45 - H SER 51 far 0 92 0 - 7.9-8.6 HA LEU 98 - H SER 94 far 0 94 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 6633 from nnoeabs.peaks (8.66, 7.98, 115.88 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * H SER 50 + H SER 51 OK 100 100 100 100 2.5-2.8 3.1=100 H PHE 89 - H SER 94 far 0 57 0 - 7.4-8.4 H HIS 8 - H SER 51 far 0 100 0 - 8.0-52.3 Violated in 0 structures by 0.00 A. Peak 6634 from nnoeabs.peaks (4.00, 7.98, 115.88 ppm; 4.48 A): 5 out of 10 assignments used, quality = 1.00: * HA SER 50 + H SER 51 OK 100 100 100 100 3.5-3.5 3.6=100 HB3 SER 51 + H SER 51 OK 92 92 100 100 2.1-3.0 3.8=100 HA GLU 91 + H SER 94 OK 79 81 100 98 3.4-3.8 3.6/7259=58, 2857=49...(11) HB3 SER 94 + H SER 94 OK 64 64 100 100 2.2-3.0 3.6=100 HA LYS 95 + H SER 94 OK 59 66 100 88 5.1-5.4 3.6/7288=31...(13) HA GLN 127 - H SER 51 far 0 65 0 - 6.6-9.5 HA VAL 20 - H SER 51 far 0 99 0 - 7.4-33.2 HB3 SER 99 - H SER 94 far 0 90 0 - 8.5-11.1 HA LEU 119 - H SER 51 far 0 60 0 - 8.6-15.8 HA THR 65 - H SER 51 far 0 68 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 6635 from nnoeabs.peaks (3.84, 7.98, 115.88 ppm; 4.98 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 50 + H SER 51 OK 100 100 100 100 3.8-4.2 4.7=100 HA LEU 123 - H SER 51 far 0 97 0 - 7.8-9.4 HA LEU 62 - H SER 51 far 0 99 0 - 7.8-10.7 HB2 SER 130 - H SER 51 far 0 90 0 - 7.9-11.5 Violated in 0 structures by 0.00 A. Peak 6636 from nnoeabs.peaks (3.89, 7.98, 115.88 ppm; 4.05 A): 2 out of 8 assignments used, quality = 1.00: * HB3 SER 50 + H SER 51 OK 98 100 100 98 2.6-3.7 4.7=66, 1.8/1601=47...(26) HB2 SER 94 + H SER 94 OK 84 84 100 100 2.2-3.0 3.6=100 HA2 GLY 2 - H SER 51 far 5 100 5 - 4.8-70.8 HA3 GLY 2 - H SER 51 far 0 100 0 - 6.2-71.1 HA ALA 46 - H SER 51 far 0 99 0 - 6.3-7.2 HA LEU 70 - H SER 94 far 0 92 0 - 7.4-8.7 HA LYS 86 - H SER 94 far 0 94 0 - 9.2-10.3 HA3 GLY 75 - H SER 94 far 0 82 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6637 from nnoeabs.peaks (4.22, 7.98, 115.88 ppm; 3.71 A): 2 out of 13 assignments used, quality = 1.00: * HA SER 51 + H SER 51 OK 100 100 100 100 2.8-2.9 3.0=100 HA SER 94 + H SER 94 OK 81 81 100 100 2.7-2.9 2.9=100 HB THR 25 - H SER 51 far 0 92 0 - 5.5-27.0 HA GLN 27 - H SER 51 far 0 65 0 - 5.9-27.3 HA ALA 28 - H SER 94 far 0 71 0 - 6.5-25.8 HA ALA 88 - H SER 94 far 0 85 0 - 7.3-8.1 HB THR 18 - H SER 51 far 0 76 0 - 7.4-36.9 HA SER 124 - H SER 51 far 0 73 0 - 8.1-11.3 HA ALA 28 - H SER 51 far 0 81 0 - 8.2-25.0 HA GLU 30 - H SER 94 far 0 90 0 - 8.7-25.1 HA ALA 29 - H SER 51 far 0 96 0 - 9.0-22.3 HA GLU 128 - H SER 51 far 0 83 0 - 9.9-13.3 HA GLN 27 - H SER 94 far 0 57 0 - 10.0-28.0 Violated in 0 structures by 0.00 A. Peak 6638 from nnoeabs.peaks (3.94, 7.98, 115.88 ppm; 3.35 A): 2 out of 6 assignments used, quality = 0.99: * HB2 SER 51 + H SER 51 OK 98 100 100 98 2.2-3.2 1616=89, 1620/3.1=43...(11) HB3 SER 94 + H SER 94 OK 39 49 100 79 2.2-3.0 3.6=78, 7297/3.4=6 HA2 GLY 17 - H SER 51 far 0 85 0 - 5.3-33.9 HA GLN 127 - H SER 51 far 0 65 0 - 6.6-9.5 HA3 GLY 17 - H SER 51 far 0 85 0 - 6.8-33.8 HA THR 65 - H SER 51 far 0 63 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 6639 from nnoeabs.peaks (3.98, 7.98, 115.88 ppm; 3.71 A): 4 out of 10 assignments used, quality = 1.00: * HB3 SER 51 + H SER 51 OK 100 100 100 100 2.1-3.0 3.8=90, 1.8/1616=80...(14) HA SER 50 + H SER 51 OK 92 92 100 100 3.5-3.5 3.6=100 HB3 SER 94 + H SER 94 OK 90 90 100 100 2.2-3.0 3.6=100 HA GLU 91 + H SER 94 OK 87 94 100 92 3.4-3.8 3.6/7259=40, 2857=38...(11) HA2 GLY 17 - H SER 51 far 0 83 0 - 5.3-33.9 HA GLN 127 - H SER 51 far 0 96 0 - 6.6-9.5 HA3 GLY 17 - H SER 51 far 0 83 0 - 6.8-33.8 HA VAL 20 - H SER 51 far 0 98 0 - 7.4-33.2 HB3 SER 99 - H SER 94 far 0 64 0 - 8.5-11.1 HA THR 65 - H SER 51 far 0 97 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 6640 from nnoeabs.peaks (8.03, 7.98, 115.88 ppm; 5.58 A): 2 out of 7 assignments used, quality = 1.00: * H ALA 52 + H SER 51 OK 100 100 100 100 2.3-2.5 3.1=100 H LEU 48 + H SER 51 OK 89 89 100 100 4.6-5.2 4.0/6610=78, 3.6/6629=69...(24) H ALA 16 - H SER 51 far 0 100 0 - 7.3-36.1 H ILE 129 - H SER 94 far 0 59 0 - 8.0-9.5 H CYS 125 - H SER 94 far 0 82 0 - 8.8-10.7 H TYR 76 - H SER 94 far 0 82 0 - 9.4-11.1 H SER 130 - H SER 51 far 0 99 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 6641 from nnoeabs.peaks (7.71, 7.98, 115.88 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 53 + H SER 51 OK 99 100 100 99 3.5-4.1 6658=70, 9219/1616=50...(20) H LYS 95 + H SER 94 OK 90 90 100 100 2.4-2.8 3.4=100 H LEU 98 - H SER 94 far 0 69 0 - 5.9-6.8 H CYS 45 - H SER 51 far 0 65 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 6642 from nnoeabs.peaks (8.03, 8.03, 125.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 52 + H ALA 52 OK 100 100 - 100 Peak 6643 from nnoeabs.peaks (4.11, 8.03, 125.41 ppm; 3.98 A): 3 out of 5 assignments used, quality = 1.00: HA LEU 49 + H ALA 52 OK 99 100 100 99 3.0-3.4 3.6/6645=36, 1544=34...(32) * HA LEU 48 + H ALA 52 OK 95 100 100 95 4.0-5.0 1492/1620=48...(18) HA ALA 52 + H ALA 52 OK 76 76 100 100 2.9-2.9 2.9=100 HA CYS 45 - H ALA 52 far 0 95 0 - 8.4-9.7 HA3 GLY 114 - H ALA 52 far 0 92 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 6644 from nnoeabs.peaks (4.11, 8.03, 125.41 ppm; 3.97 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 49 + H ALA 52 OK 99 100 100 99 3.0-3.4 3.6/6645=36, 1544=34...(32) HA LEU 48 + H ALA 52 OK 95 100 100 95 4.0-5.0 1492/1620=48...(18) HA ALA 52 + H ALA 52 OK 71 71 100 100 2.9-2.9 2.9=100 HA CYS 45 - H ALA 52 far 0 92 0 - 8.4-9.7 HA3 GLY 114 - H ALA 52 far 0 89 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 6645 from nnoeabs.peaks (8.66, 8.03, 125.41 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * H SER 50 + H ALA 52 OK 100 100 100 100 3.7-4.2 6627=53, ~9247=42...(32) Violated in 0 structures by 0.00 A. Peak 6646 from nnoeabs.peaks (4.00, 8.03, 125.41 ppm; 5.11 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 50 + H ALA 52 OK 100 100 100 100 4.0-4.6 2.9/6645=68, 6657/3.3=38...(21) HB3 SER 51 + H ALA 52 OK 92 92 100 100 2.7-3.6 4.6=100 HA VAL 20 - H ALA 52 far 0 99 0 - 7.0-31.8 HA LEU 119 - H ALA 52 far 0 60 0 - 7.7-15.4 HA GLN 127 - H ALA 52 far 0 65 0 - 8.0-11.1 HA THR 65 - H ALA 52 far 0 68 0 - 8.1-11.3 HB2 SER 124 - H ALA 52 far 0 100 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 6647 from nnoeabs.peaks (7.98, 8.03, 125.41 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H SER 51 + H ALA 52 OK 100 100 100 100 2.3-2.5 3.1=100 H THR 18 - H ALA 52 far 5 97 5 - 6.0-34.4 H VAL 57 - H ALA 52 far 0 76 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 6648 from nnoeabs.peaks (4.22, 8.03, 125.41 ppm; 4.10 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 51 + H ALA 52 OK 100 100 100 100 3.4-3.5 3.6=100 HA GLN 27 - H ALA 52 far 3 65 5 - 5.1-27.1 HB THR 25 - H ALA 52 far 0 92 0 - 5.9-27.3 HA ALA 28 - H ALA 52 far 0 81 0 - 6.5-24.5 HB THR 18 - H ALA 52 far 0 76 0 - 8.2-35.2 HA SER 124 - H ALA 52 far 0 73 0 - 8.2-12.3 HA ALA 29 - H ALA 52 far 0 96 0 - 8.2-22.6 Violated in 0 structures by 0.00 A. Peak 6649 from nnoeabs.peaks (3.94, 8.03, 125.41 ppm; 4.13 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 51 + H ALA 52 OK 100 100 100 100 2.8-3.9 1620=100, 1616/3.1=70...(15) HA2 GLY 17 - H ALA 52 far 4 85 5 - 4.5-34.5 HA3 GLY 17 - H ALA 52 far 0 85 0 - 5.8-35.1 HA GLN 127 - H ALA 52 far 0 65 0 - 8.0-11.1 HA THR 65 - H ALA 52 far 0 63 0 - 8.1-11.3 HD3 PRO 113 - H ALA 52 far 0 100 0 - 10.0-20.7 Violated in 0 structures by 0.00 A. Peak 6650 from nnoeabs.peaks (3.98, 8.03, 125.41 ppm; 4.45 A): 2 out of 8 assignments used, quality = 1.00: * HB3 SER 51 + H ALA 52 OK 100 100 100 100 2.7-3.6 1.8/1620=91, 4.6=89...(17) HA SER 50 + H ALA 52 OK 90 92 100 98 4.0-4.6 2.9/6645=52, 1611/3.6=30...(21) HA2 GLY 17 - H ALA 52 far 4 83 5 - 4.5-34.5 HA3 GLY 17 - H ALA 52 far 4 83 5 - 5.8-35.1 HA VAL 20 - H ALA 52 far 0 98 0 - 7.0-31.8 HA GLN 127 - H ALA 52 far 0 96 0 - 8.0-11.1 HA THR 65 - H ALA 52 far 0 97 0 - 8.1-11.3 HB2 SER 124 - H ALA 52 far 0 93 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 6651 from nnoeabs.peaks (4.13, 8.03, 125.41 ppm; 4.01 A): 3 out of 5 assignments used, quality = 1.00: * HA ALA 52 + H ALA 52 OK 100 100 100 100 2.9-2.9 2.9=100 HA LEU 49 + H ALA 52 OK 70 71 100 99 3.0-3.4 3.6/6645=37, 1633/2.9=28...(31) HA LEU 48 + H ALA 52 OK 69 76 100 91 4.0-5.0 1615/1620=36...(17) HA CYS 45 - H ALA 52 far 0 97 0 - 8.4-9.7 HA3 GLY 114 - H ALA 52 far 0 99 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 6652 from nnoeabs.peaks (1.48, 8.03, 125.41 ppm; 2.93 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 52 + H ALA 52 OK 100 100 100 100 2.1-2.3 2.9=100 HB2 LEU 49 - H ALA 52 far 0 87 0 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 6653 from nnoeabs.peaks (7.71, 8.03, 125.41 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + H ALA 52 OK 100 100 100 100 2.3-2.5 3.3=100 Violated in 0 structures by 0.00 A. Peak 6654 from nnoeabs.peaks (7.55, 8.03, 125.41 ppm; 5.61 A): 2 out of 4 assignments used, quality = 1.00: * H THR 54 + H ALA 52 OK 100 100 100 100 3.7-4.8 6673=100, 6675/3.3=96...(12) HE22 GLN 61 + H ALA 52 OK 68 97 80 88 5.3-9.1 9369/2.9=68, ~9375=48...(5) HE22 GLN 27 - H ALA 52 far 9 92 10 - 4.9-30.4 H LEU 119 - H ALA 52 far 0 99 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 6655 from nnoeabs.peaks (7.71, 7.71, 113.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + H LEU 53 OK 100 100 - 100 Peak 6656 from nnoeabs.peaks (4.11, 7.71, 113.84 ppm; 4.95 A): 2 out of 5 assignments used, quality = 0.99: * HA LEU 49 + H LEU 53 OK 98 100 100 98 2.9-4.7 3.0/6666=36...(19) HA ALA 52 + H LEU 53 OK 71 71 100 100 3.4-3.6 3.6=100 HA LEU 48 - H LEU 53 poor 20 100 20 - 6.2-7.3 HA3 GLY 114 - H LEU 53 far 0 89 0 - 8.1-17.0 HA CYS 45 - H LEU 53 far 0 92 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 6657 from nnoeabs.peaks (4.00, 7.71, 113.84 ppm; 4.60 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 50 + H LEU 53 OK 99 100 100 99 3.4-4.2 3.6/6658=58...(14) HB3 SER 51 + H LEU 53 OK 92 92 100 100 4.7-5.7 1.8/9219=84, 3.8/6658=55...(12) HA LEU 119 - H LEU 53 poor 12 60 20 - 5.4-13.4 HA THR 65 - H LEU 53 far 0 68 0 - 7.8-12.1 HB2 SER 124 - H LEU 53 far 0 100 0 - 7.9-13.3 HA GLN 127 - H LEU 53 far 0 65 0 - 7.9-10.8 HA VAL 20 - H LEU 53 far 0 99 0 - 9.1-31.5 Violated in 0 structures by 0.00 A. Peak 6658 from nnoeabs.peaks (7.98, 7.71, 113.84 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.99: * H SER 51 + H LEU 53 OK 99 100 100 99 3.5-4.1 1616/9219=62, 6641=52...(20) H VAL 57 - H LEU 53 far 0 76 0 - 7.4-8.7 H THR 18 - H LEU 53 far 0 97 0 - 7.9-36.6 H ASP 64 - H LEU 53 far 0 71 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 6659 from nnoeabs.peaks (4.22, 7.71, 113.84 ppm; 5.33 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 51 + H LEU 53 OK 100 100 100 100 3.8-5.0 2.9/9219=86, 3.0/6658=81...(11) HA SER 124 - H LEU 53 far 7 73 10 - 6.6-11.2 HA ALA 28 - H LEU 53 far 0 81 0 - 7.0-25.4 HA GLN 27 - H LEU 53 far 0 65 0 - 7.0-28.3 HB THR 25 - H LEU 53 far 0 92 0 - 8.2-25.9 HA ALA 29 - H LEU 53 far 0 96 0 - 8.8-22.9 Violated in 0 structures by 0.00 A. Peak 6660 from nnoeabs.peaks (8.03, 7.71, 113.84 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 52 + H LEU 53 OK 100 100 100 100 2.3-2.5 3.3=100 H VAL 57 - H LEU 53 far 0 78 0 - 7.4-8.7 H LEU 48 - H LEU 53 far 0 89 0 - 7.6-8.4 H ALA 16 - H LEU 53 far 0 100 0 - 9.3-38.5 H CYS 125 - H LEU 53 far 0 92 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 6661 from nnoeabs.peaks (4.13, 7.71, 113.84 ppm; 4.40 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 52 + H LEU 53 OK 100 100 100 100 3.4-3.6 3.6=100 HA LEU 49 + H LEU 53 OK 65 71 100 92 2.9-4.7 3.0/6666=31...(17) HA LEU 48 - H LEU 53 far 0 76 0 - 6.2-7.3 HA3 GLY 114 - H LEU 53 far 0 99 0 - 8.1-17.0 HA CYS 45 - H LEU 53 far 0 97 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 6662 from nnoeabs.peaks (1.48, 7.71, 113.84 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.99: * QB ALA 52 + H LEU 53 OK 99 100 100 99 2.5-3.1 3.7=95, 9232/9251=41...(13) HB2 LEU 49 - H LEU 53 far 9 87 10 - 4.8-6.6 Violated in 0 structures by 0.00 A. Peak 6663 from nnoeabs.peaks (4.18, 7.71, 113.84 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + H LEU 53 OK 100 100 100 100 2.7-2.9 3.0=100 HB THR 25 - H LEU 53 far 0 76 0 - 8.2-25.9 Violated in 0 structures by 0.00 A. Peak 6664 from nnoeabs.peaks (1.52, 7.71, 113.84 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 53 + H LEU 53 OK 100 100 100 100 3.2-3.7 4.0=84, 1.8/6665=70...(21) HB2 LEU 119 - H LEU 53 far 7 73 10 - 4.5-13.1 HB2 LEU 49 - H LEU 53 far 7 73 10 - 4.8-6.6 HG LEU 69 - H LEU 53 far 0 99 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 6665 from nnoeabs.peaks (1.99, 7.71, 113.84 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 53 + H LEU 53 OK 100 100 100 100 2.0-2.8 4.0=73, 1.8/6664=68...(24) HB2 GLU 55 - H LEU 53 poor 13 100 25 53 4.7-7.6 11905/3.6=35...(4) HB2 GLN 27 - H LEU 53 far 0 60 0 - 6.5-28.6 HB VAL 20 - H LEU 53 far 0 99 0 - 7.0-33.2 HG2 PRO 56 - H LEU 53 far 0 93 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 6666 from nnoeabs.peaks (1.94, 7.71, 113.84 ppm; 3.67 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 53 + H LEU 53 OK 100 100 100 100 2.1-3.7 2.1/6668=65, 2.1/1670=54...(22) HB3 LEU 49 + H LEU 53 OK 69 83 90 92 3.8-5.5 9240/6662=22...(25) HB2 GLN 27 - H LEU 53 far 0 60 0 - 6.5-28.6 HB2 PRO 113 - H LEU 53 far 0 68 0 - 7.7-17.7 HG2 PRO 113 - H LEU 53 far 0 100 0 - 8.9-19.3 Violated in 0 structures by 0.00 A. Peak 6667 from nnoeabs.peaks (0.79, 7.71, 113.84 ppm; 3.67 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 53 + H LEU 53 OK 100 100 100 100 3.4-4.3 2.1/6668=65, 1670=63...(23) QD2 LEU 119 + H LEU 53 OK 27 99 35 79 4.0-13.9 11621/3.0=49...(13) QD2 LEU 49 - H LEU 53 far 0 100 0 - 5.7-6.9 QD2 LEU 122 - H LEU 53 far 0 99 0 - 5.9-9.8 QD1 LEU 122 - H LEU 53 far 0 95 0 - 6.1-9.3 QD1 ILE 32 - H LEU 53 far 0 89 0 - 7.9-17.4 QD1 LEU 70 - H LEU 53 far 0 71 0 - 8.9-14.8 QD1 LEU 103 - H LEU 53 far 0 96 0 - 9.0-14.6 QD1 LEU 96 - H LEU 53 far 0 78 0 - 9.9-13.2 QG1 VAL 63 - H LEU 53 far 0 97 0 - 10.0-13.2 Violated in 13 structures by 0.17 A. Peak 6668 from nnoeabs.peaks (0.97, 7.71, 113.84 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + H LEU 53 OK 100 100 100 100 2.2-4.2 1679/3.0=70, 4.3=69...(18) QD1 LEU 119 - H LEU 53 far 7 71 10 - 5.1-12.8 QG1 VAL 57 - H LEU 53 far 0 87 0 - 5.4-7.0 QG1 VAL 126 - H LEU 53 far 0 97 0 - 6.1-9.3 QG2 VAL 126 - H LEU 53 far 0 100 0 - 6.3-9.4 Violated in 9 structures by 0.08 A. Peak 6669 from nnoeabs.peaks (7.55, 7.71, 113.84 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * H THR 54 + H LEU 53 OK 100 100 100 100 2.1-3.0 6675=100, 6673/3.3=37...(12) HE22 GLN 61 - H LEU 53 far 5 97 5 - 4.7-9.4 HE22 GLN 27 - H LEU 53 far 0 92 0 - 7.3-31.4 H LEU 119 - H LEU 53 far 0 99 0 - 7.6-15.8 Violated in 0 structures by 0.00 A. Peak 6670 from nnoeabs.peaks (7.55, 7.55, 107.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 54 + H THR 54 OK 100 100 - 100 Peak 6672 from nnoeabs.peaks (4.22, 7.55, 107.70 ppm; 5.34 A): 1 out of 5 assignments used, quality = 0.99: * HA SER 51 + H THR 54 OK 99 100 100 99 3.5-4.5 1691/4.0=72, 3.6/6673=69...(5) HA SER 124 - H THR 54 far 0 73 0 - 7.1-11.8 HA GLN 27 - H THR 54 far 0 65 0 - 9.1-30.9 HA ALA 28 - H THR 54 far 0 81 0 - 9.2-28.0 HB THR 25 - H THR 54 far 0 92 0 - 9.7-27.5 Violated in 0 structures by 0.00 A. Peak 6673 from nnoeabs.peaks (8.03, 7.55, 107.70 ppm; 4.94 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 52 + H THR 54 OK 100 100 100 100 3.7-4.8 3.3/6675=87, 2.9/6674=65...(12) H VAL 57 - H THR 54 far 0 78 0 - 7.5-8.4 H ALA 16 - H THR 54 far 0 100 0 - 8.8-41.1 H LEU 48 - H THR 54 far 0 89 0 - 9.1-11.0 H CYS 125 - H THR 54 far 0 92 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 6674 from nnoeabs.peaks (4.13, 7.55, 107.70 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 52 + H THR 54 OK 100 100 100 100 3.8-5.1 3.6/6675=75, 2.9/6673=59...(13) HA LEU 49 - H THR 54 poor 12 71 30 57 5.3-7.3 6661/6675=25...(9) HA3 GLY 114 - H THR 54 far 0 99 0 - 7.5-16.2 HA LEU 48 - H THR 54 far 0 76 0 - 7.5-9.5 Violated in 2 structures by 0.03 A. Peak 6675 from nnoeabs.peaks (7.71, 7.55, 107.70 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 53 + H THR 54 OK 98 100 100 98 2.1-3.0 6669=76, 6668/4.6=30...(12) Violated in 0 structures by 0.00 A. Peak 6676 from nnoeabs.peaks (4.18, 7.55, 107.70 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + H THR 54 OK 100 100 100 100 3.3-3.6 3.6=100 HB THR 25 - H THR 54 far 0 76 0 - 9.7-27.5 Violated in 0 structures by 0.00 A. Peak 6677 from nnoeabs.peaks (1.52, 7.55, 107.70 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 53 + H THR 54 OK 100 100 100 100 2.5-4.3 4.6=89, 6664/6675=67...(8) HB2 LEU 119 - H THR 54 poor 18 73 35 70 4.2-13.0 1638/3.6=23, 3.1/3789=14...(12) HB2 LEU 49 - H THR 54 far 0 73 0 - 7.0-9.3 Violated in 0 structures by 0.00 A. Peak 6678 from nnoeabs.peaks (1.99, 7.55, 107.70 ppm; 4.16 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 53 + H THR 54 OK 99 100 100 99 2.4-4.3 4.6=73, 1.8/6677=59...(11) HB2 GLU 55 + H THR 54 OK 73 100 75 97 4.2-6.0 3.8/6687=66, 3.0/9268=44...(11) HB VAL 20 - H THR 54 far 0 99 0 - 7.7-35.6 HB2 GLN 27 - H THR 54 far 0 60 0 - 8.7-31.3 HG2 PRO 56 - H THR 54 far 0 93 0 - 8.8-9.4 HG3 PRO 56 - H THR 54 far 0 93 0 - 8.8-9.8 HB3 PRO 56 - H THR 54 far 0 99 0 - 9.5-10.1 Violated in 1 structures by 0.00 A. Peak 6679 from nnoeabs.peaks (1.94, 7.55, 107.70 ppm; 5.12 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 53 + H THR 54 OK 100 100 100 100 2.0-5.1 2.1/6681=81...(10) HB3 LEU 49 - H THR 54 poor 19 83 25 89 5.7-8.2 6666/6675=34...(10) HB2 PRO 113 - H THR 54 far 0 68 0 - 7.0-17.4 HG2 PRO 113 - H THR 54 far 0 100 0 - 8.0-18.9 HB2 GLN 27 - H THR 54 far 0 60 0 - 8.7-31.3 Violated in 0 structures by 0.00 A. Peak 6680 from nnoeabs.peaks (0.79, 7.55, 107.70 ppm; 4.95 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 53 + H THR 54 OK 100 100 100 100 3.8-5.1 4.6=100 QD2 LEU 119 + H THR 54 OK 33 99 35 96 4.3-13.8 11621/3.6=72, 3789=23...(15) QD1 LEU 122 - H THR 54 far 5 95 5 - 6.3-11.0 QD2 LEU 49 - H THR 54 far 0 100 0 - 6.8-9.3 QD2 LEU 122 - H THR 54 far 0 99 0 - 6.8-11.2 QD1 LEU 103 - H THR 54 far 0 96 0 - 9.8-15.2 QD1 LEU 70 - H THR 54 far 0 71 0 - 10.0-16.6 Violated in 1 structures by 0.00 A. Peak 6681 from nnoeabs.peaks (0.97, 7.55, 107.70 ppm; 4.39 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 53 + H THR 54 OK 100 100 100 100 2.7-4.7 4.6=86, 1679/3.6=75...(11) QD1 LEU 119 - H THR 54 poor 11 71 30 52 4.8-13.0 2.1/3789=17, 1642/3.6=13...(8) QG1 VAL 57 - H THR 54 far 0 87 0 - 6.0-7.8 QG2 VAL 126 - H THR 54 far 0 100 0 - 6.2-11.3 QG1 VAL 126 - H THR 54 far 0 97 0 - 6.7-11.3 QG1 VAL 112 - H THR 54 far 0 100 0 - 9.7-15.8 Violated in 6 structures by 0.04 A. Peak 6682 from nnoeabs.peaks (4.42, 7.55, 107.70 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 54 + H THR 54 OK 100 100 100 100 2.7-2.9 3.0=100 HA ASN 120 - H THR 54 far 0 100 0 - 5.6-11.0 HA HIS 5 - H THR 54 far 0 95 0 - 9.2-62.4 Violated in 0 structures by 0.00 A. Peak 6683 from nnoeabs.peaks (4.46, 7.55, 107.70 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 54 + H THR 54 OK 100 100 100 100 2.4-3.6 4.0=100 HA ASN 121 - H THR 54 far 0 73 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 6684 from nnoeabs.peaks (1.24, 7.55, 107.70 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 54 + H THR 54 OK 100 100 100 100 2.1-3.6 1697=95, 1698/3.0=62...(11) QG2 THR 65 - H THR 54 far 0 96 0 - 6.5-9.7 Violated in 2 structures by 0.01 A. Peak 6685 from nnoeabs.peaks (7.75, 7.55, 107.70 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 55 + H THR 54 OK 100 100 100 100 2.3-3.2 6687=100, 6690/6684=35...(14) H VAL 118 - H THR 54 far 0 100 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 6686 from nnoeabs.peaks (7.75, 7.75, 122.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + H GLU 55 OK 100 100 - 100 Peak 6687 from nnoeabs.peaks (7.55, 7.75, 122.78 ppm; 3.09 A): 1 out of 4 assignments used, quality = 0.96: * H THR 54 + H GLU 55 OK 96 100 100 96 2.3-3.2 6685=82, 6684/6690=31...(13) HE22 GLN 61 - H GLU 55 far 0 97 0 - 6.2-9.7 H LEU 119 - H GLU 55 far 0 99 0 - 7.0-15.2 HE22 GLN 27 - H GLU 55 far 0 92 0 - 9.7-34.0 Violated in 3 structures by 0.01 A. Peak 6688 from nnoeabs.peaks (4.42, 7.75, 122.78 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 54 + H GLU 55 OK 100 100 100 100 2.8-3.5 3.6=100 HA ASN 120 - H GLU 55 far 0 100 0 - 6.3-10.5 HA VAL 112 - H GLU 55 far 0 100 0 - 8.4-18.0 HA THR 115 - H GLU 55 far 0 76 0 - 8.8-16.2 Violated in 0 structures by 0.00 A. Peak 6689 from nnoeabs.peaks (4.46, 7.75, 122.78 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 54 + H GLU 55 OK 100 100 100 100 4.0-4.6 4.6=100 HA PRO 58 - H GLU 55 far 0 98 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 6690 from nnoeabs.peaks (1.24, 7.75, 122.78 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 54 + H GLU 55 OK 100 100 100 100 2.0-4.5 1701=92, 6684/6687=71...(13) QG2 THR 65 - H GLU 55 far 0 96 0 - 7.5-9.7 Violated in 11 structures by 0.13 A. Peak 6691 from nnoeabs.peaks (4.76, 7.75, 122.78 ppm; 6.09 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + H GLU 55 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6692 from nnoeabs.peaks (1.99, 7.75, 122.78 ppm; 3.50 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 55 + H GLU 55 OK 99 100 100 99 2.3-3.9 3.8=79, 1.8/6693=67...(12) HB3 LEU 53 + H GLU 55 OK 45 100 65 69 4.6-5.3 4.6/6687=36, 3.0/9264=20...(7) HG2 PRO 56 - H GLU 55 far 0 89 0 - 6.4-6.7 HG3 PRO 56 - H GLU 55 far 0 89 0 - 6.5-7.1 HB3 PRO 56 - H GLU 55 far 0 97 0 - 6.9-7.4 HB VAL 20 - H GLU 55 far 0 97 0 - 7.4-36.2 HB2 GLN 27 - H GLU 55 far 0 68 0 - 8.7-31.0 Violated in 9 structures by 0.09 A. Peak 6693 from nnoeabs.peaks (2.04, 7.75, 122.78 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 55 + H GLU 55 OK 100 100 100 100 2.4-3.8 3.8=92, 1.8/6692=54...(9) HG3 PRO 113 - H GLU 55 far 4 85 5 - 4.1-18.2 HB2 LEU 62 - H GLU 55 far 0 92 0 - 7.1-9.3 HB3 GLN 27 - H GLU 55 far 0 85 0 - 7.8-31.9 HB VAL 118 - H GLU 55 far 0 92 0 - 8.7-17.3 HB2 GLN 127 - H GLU 55 far 0 92 0 - 9.6-13.4 Violated in 5 structures by 0.02 A. Peak 6694 from nnoeabs.peaks (2.47, 7.75, 122.78 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 55 + H GLU 55 OK 100 100 100 100 1.9-4.1 1720=89, 1.8/6695=74...(11) HG3 GLN 127 - H GLU 55 far 0 81 0 - 7.6-12.7 Violated in 4 structures by 0.01 A. Peak 6695 from nnoeabs.peaks (2.40, 7.75, 122.78 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + H GLU 55 OK 100 100 100 100 2.5-4.1 1726=89, 1.8/6694=77...(12) HG3 GLN 61 - H GLU 55 far 0 89 0 - 8.1-11.6 Violated in 5 structures by 0.01 A. Peak 6696 from nnoeabs.peaks (8.01, 8.01, 121.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 57 + H VAL 57 OK 100 100 - 100 Peak 6697 from nnoeabs.peaks (4.67, 8.01, 121.40 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.98: * HA PRO 56 + H VAL 57 OK 98 100 100 98 2.2-2.2 3.6=93, 10919/1802=40...(10) HA ASN 13 - H VAL 57 far 0 99 0 - 8.6-42.4 Violated in 0 structures by 0.00 A. Peak 6698 from nnoeabs.peaks (2.13, 8.01, 121.40 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + H VAL 57 OK 100 100 100 100 4.1-4.3 3.9=100 HB VAL 112 - H VAL 57 far 4 87 5 - 6.4-15.0 Violated in 0 structures by 0.00 A. Peak 6699 from nnoeabs.peaks (2.00, 8.01, 121.40 ppm; 4.77 A): 4 out of 8 assignments used, quality = 1.00: * HB3 PRO 56 + H VAL 57 OK 100 100 100 100 3.7-3.9 3.9=100 HG2 PRO 56 + H VAL 57 OK 95 99 100 96 5.0-5.0 3.8/6697=74, 9322/3.0=26...(10) HG3 PRO 56 + H VAL 57 OK 91 99 100 92 5.7-5.8 3.8/6697=74, ~9322=18...(7) HB2 GLU 55 + H VAL 57 OK 37 97 50 77 5.1-7.0 3.8/9261=36...(6) HG2 PRO 58 - H VAL 57 far 0 68 0 - 6.5-7.0 HB3 LEU 53 - H VAL 57 far 0 99 0 - 7.4-9.8 HB3 PRO 117 - H VAL 57 far 0 99 0 - 9.1-19.1 HB VAL 20 - H VAL 57 far 0 100 0 - 9.3-37.8 Violated in 0 structures by 0.00 A. Peak 6700 from nnoeabs.peaks (2.01, 8.01, 121.40 ppm; 4.78 A): 4 out of 8 assignments used, quality = 1.00: HB3 PRO 56 + H VAL 57 OK 99 99 100 100 3.7-3.9 3.9=100 * HG2 PRO 56 + H VAL 57 OK 95 100 100 95 5.0-5.0 3.8/6697=74, 9322/3.0=26...(10) HG3 PRO 56 + H VAL 57 OK 92 100 100 92 5.7-5.8 3.8/6697=74, ~9322=18...(7) HB2 GLU 55 + H VAL 57 OK 33 89 50 73 5.1-7.0 3.8/9261=36...(6) HG2 PRO 58 - H VAL 57 far 0 85 0 - 6.5-7.0 HB3 LEU 53 - H VAL 57 far 0 93 0 - 7.4-9.8 HB3 PRO 117 - H VAL 57 far 0 100 0 - 9.1-19.1 HB VAL 20 - H VAL 57 far 0 99 0 - 9.3-37.8 Violated in 0 structures by 0.00 A. Peak 6701 from nnoeabs.peaks (2.01, 8.01, 121.40 ppm; 4.78 A): 4 out of 8 assignments used, quality = 1.00: HB3 PRO 56 + H VAL 57 OK 99 99 100 100 3.7-3.9 3.9=100 HG2 PRO 56 + H VAL 57 OK 95 100 100 95 5.0-5.0 3.8/6697=74, 9322/3.0=26...(10) * HG3 PRO 56 + H VAL 57 OK 92 100 100 92 5.7-5.8 3.8/6697=74, ~9322=18...(7) HB2 GLU 55 + H VAL 57 OK 33 89 50 73 5.1-7.0 3.8/9261=36...(6) HG2 PRO 58 - H VAL 57 far 0 85 0 - 6.5-7.0 HB3 LEU 53 - H VAL 57 far 0 93 0 - 7.4-9.8 HB3 PRO 117 - H VAL 57 far 0 100 0 - 9.1-19.1 HB VAL 20 - H VAL 57 far 0 99 0 - 9.3-37.8 Violated in 0 structures by 0.00 A. Peak 6702 from nnoeabs.peaks (3.66, 8.01, 121.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + H VAL 57 OK 100 100 100 100 5.4-5.5 3.6/6697=100...(11) HD3 PRO 56 + H VAL 57 OK 99 99 100 100 5.4-5.5 3.6/6697=100...(10) Violated in 0 structures by 0.00 A. Peak 6703 from nnoeabs.peaks (3.65, 8.01, 121.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + H VAL 57 OK 100 100 100 100 5.4-5.5 3.6/6697=100...(10) HD2 PRO 56 + H VAL 57 OK 99 99 100 100 5.4-5.5 3.6/6697=100...(11) Violated in 0 structures by 0.00 A. Peak 6704 from nnoeabs.peaks (4.59, 8.01, 121.40 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + H VAL 57 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6705 from nnoeabs.peaks (2.09, 8.01, 121.40 ppm; 3.90 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 57 + H VAL 57 OK 100 100 100 100 3.5-3.8 4.0=93, 2.1/1802=87...(7) HG3 PRO 113 - H VAL 57 far 3 60 5 - 2.5-14.3 HB VAL 112 - H VAL 57 far 0 63 0 - 6.4-15.0 HG3 PRO 58 - H VAL 57 far 0 87 0 - 6.5-6.9 HB3 GLN 61 - H VAL 57 far 0 97 0 - 6.8-9.1 HB2 GLN 61 - H VAL 57 far 0 99 0 - 7.2-9.4 Violated in 0 structures by 0.00 A. Peak 6706 from nnoeabs.peaks (0.86, 8.01, 121.40 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 57 + H VAL 57 OK 100 100 100 100 2.0-2.3 1802=100, 2.1/6705=47...(14) QD2 LEU 123 - H VAL 57 far 0 78 0 - 6.0-10.6 QG2 VAL 20 - H VAL 57 far 0 60 0 - 7.4-30.3 Violated in 0 structures by 0.00 A. Peak 6707 from nnoeabs.peaks (0.95, 8.01, 121.40 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * QG1 VAL 57 + H VAL 57 OK 100 100 100 100 3.3-3.8 2.1/1802=78, 1807=72...(14) QD1 LEU 119 + H VAL 57 OK 30 99 70 44 2.9-11.2 3.0/10969=34...(6) QD2 LEU 53 - H VAL 57 far 4 87 5 - 4.9-9.8 QG1 VAL 112 - H VAL 57 far 4 85 5 - 4.7-11.4 QG2 VAL 112 - H VAL 57 far 4 71 5 - 3.8-13.6 QD1 LEU 123 - H VAL 57 far 0 81 0 - 5.4-11.6 QD1 LEU 48 - H VAL 57 far 0 71 0 - 9.3-14.1 QG1 VAL 126 - H VAL 57 far 0 99 0 - 9.8-13.3 Violated in 5 structures by 0.02 A. Peak 6708 from nnoeabs.peaks (8.89, 8.89, 122.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 59 + H ASN 59 OK 100 100 - 100 Peak 6709 from nnoeabs.peaks (4.45, 8.89, 122.23 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.96: * HA PRO 58 + H ASN 59 OK 96 100 100 96 2.3-2.6 1839=79, 2.3/6710=39...(9) HA SER 106 - H ASN 59 far 0 100 0 - 7.2-16.1 HA ASP 64 - H ASN 59 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 6710 from nnoeabs.peaks (1.95, 8.89, 122.23 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 58 + H ASN 59 OK 100 100 100 100 2.2-3.4 2.3/6709=90, 4.3=89...(15) HG2 PRO 113 - H ASN 59 poor 18 89 20 - 4.0-12.8 HB2 GLN 27 - H ASN 59 far 0 90 0 - 8.8-23.0 HB2 GLU 30 - H ASN 59 far 0 99 0 - 9.0-26.4 Violated in 0 structures by 0.00 A. Peak 6711 from nnoeabs.peaks (2.41, 8.89, 122.23 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 58 + H ASN 59 OK 100 100 100 100 2.4-3.6 2.3/6709=84, 4.3=74...(11) HG3 GLN 61 - H ASN 59 poor 19 100 30 63 5.0-7.4 4.5/6722=16...(11) Violated in 0 structures by 0.00 A. Peak 6712 from nnoeabs.peaks (2.03, 8.89, 122.23 ppm; 4.81 A): 2 out of 6 assignments used, quality = 1.00: * HG2 PRO 58 + H ASN 59 OK 100 100 100 100 4.3-5.3 2.3/6710=85, 1863=80...(10) HB VAL 63 + H ASN 59 OK 46 100 55 83 5.7-7.0 2.1/9350=34...(10) QE MET 11 - H ASN 59 far 0 93 0 - 7.6-40.4 HB3 GLU 30 - H ASN 59 far 0 99 0 - 8.7-26.0 HB3 PRO 56 - H ASN 59 far 0 68 0 - 8.7-9.7 HB VAL 20 - H ASN 59 far 0 71 0 - 9.6-36.9 Violated in 16 structures by 0.09 A. Peak 6713 from nnoeabs.peaks (2.07, 8.89, 122.23 ppm; 4.80 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 58 + H ASN 59 OK 100 100 100 100 4.0-5.0 2.3/6710=85, 3.8/6709=79...(12) HB2 LEU 62 + H ASN 59 OK 87 92 95 100 4.7-6.3 1880/2.9=81, ~9360=43...(30) HB VAL 57 + H ASN 59 OK 46 87 100 53 5.8-6.2 1836/6709=21...(8) HB3 GLN 61 - H ASN 59 poor 17 60 40 71 5.4-8.2 4.0/6722=26, 4.6/6722=22...(8) HG3 PRO 113 - H ASN 59 lone 1 97 25 5 2.9-12.4 1864/6709=4 HB2 GLN 61 - H ASN 59 far 0 68 0 - 7.0-8.0 HB VAL 118 - H ASN 59 far 0 92 0 - 8.2-16.6 HB3 GLN 27 - H ASN 59 far 0 97 0 - 8.5-23.6 Violated in 0 structures by 0.00 A. Peak 6716 from nnoeabs.peaks (4.33, 8.89, 122.23 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + H ASN 59 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6717 from nnoeabs.peaks (2.62, 8.89, 122.23 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.98: * HB2 ASN 59 + H ASN 59 OK 98 100 100 98 2.1-2.6 1.8/6718=77, 4.0=76...(10) Violated in 0 structures by 0.00 A. Peak 6718 from nnoeabs.peaks (2.87, 8.89, 122.23 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.96: * HB3 ASN 59 + H ASN 59 OK 96 100 100 96 2.6-3.6 1.8/6717=68, 4.0=66...(8) HB2 ASN 116 - H ASN 59 far 4 73 5 - 4.9-16.3 Violated in 8 structures by 0.03 A. Peak 6720 from nnoeabs.peaks (7.79, 8.89, 122.23 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + H ASN 59 OK 100 100 100 100 4.4-5.5 3.5/6718=90, 3.5/6717=88...(6) Violated in 5 structures by 0.02 A. Peak 6721 from nnoeabs.peaks (8.66, 8.89, 122.23 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * H SER 60 + H ASN 59 OK 100 100 100 100 2.4-2.6 6736=100, 6739/6718=54...(14) Violated in 0 structures by 0.00 A. Peak 6722 from nnoeabs.peaks (7.42, 8.89, 122.23 ppm; 5.07 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 61 + H ASN 59 OK 97 100 100 97 4.2-4.8 6750/6736=65...(13) H LEU 62 + H ASN 59 OK 93 95 100 98 4.7-5.1 6780/2.9=69, ~10999=35...(17) HE22 GLN 104 - H ASN 59 far 10 99 10 - 6.1-11.7 Violated in 0 structures by 0.00 A. Peak 6723 from nnoeabs.peaks (6.60, 6.60, 111.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HD21 ASN 59 OK 100 100 - 100 Peak 6724 from nnoeabs.peaks (8.89, 6.60, 111.09 ppm; 5.75 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HD21 ASN 59 OK 100 100 100 100 3.9-5.9 5.7=100 H GLY 66 - HD21 ASN 59 far 0 99 0 - 7.4-10.1 Violated in 3 structures by 0.01 A. Peak 6725 from nnoeabs.peaks (4.33, 6.60, 111.09 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HD21 ASN 59 OK 100 100 100 100 1.9-4.8 4.4=100 Violated in 0 structures by 0.00 A. Peak 6726 from nnoeabs.peaks (2.62, 6.60, 111.09 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HD21 ASN 59 OK 100 100 100 100 2.6-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 6727 from nnoeabs.peaks (2.87, 6.60, 111.09 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 59 + HD21 ASN 59 OK 100 100 100 100 2.1-3.9 3.5=100 HB2 ASN 116 - HD21 ASN 59 poor 12 73 65 25 2.0-12.2 6733/1.7=9...(5) Violated in 0 structures by 0.00 A. Peak 6728 from nnoeabs.peaks (7.79, 6.60, 111.09 ppm; 2.70 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 59 + HD21 ASN 59 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 121 - HD21 ASN 59 far 0 92 0 - 9.2-16.4 Violated in 0 structures by 0.00 A. Peak 6729 from nnoeabs.peaks (7.79, 7.79, 111.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + HD22 ASN 59 OK 100 100 - 100 Peak 6731 from nnoeabs.peaks (4.33, 7.79, 111.09 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HD22 ASN 59 OK 100 100 100 100 2.9-5.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 6732 from nnoeabs.peaks (2.62, 7.79, 111.09 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HD22 ASN 59 OK 100 100 100 100 2.1-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 6733 from nnoeabs.peaks (2.87, 7.79, 111.09 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 59 + HD22 ASN 59 OK 100 100 100 100 2.1-3.7 3.5=100 HB2 ASN 116 - HD22 ASN 59 poor 15 73 55 37 2.8-11.3 6727/1.7=9, 3.5/11732=8...(8) Violated in 0 structures by 0.00 A. Peak 6734 from nnoeabs.peaks (6.60, 7.79, 111.09 ppm; 2.84 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HD22 ASN 59 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6735 from nnoeabs.peaks (8.66, 8.66, 113.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 60 + H SER 60 OK 100 100 - 100 H SER 50 + H SER 50 OK 91 91 - 100 Peak 6736 from nnoeabs.peaks (8.89, 8.66, 113.17 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 59 + H SER 60 OK 100 100 100 100 2.4-2.6 6721=91, 6718/6739=50...(14) H GLY 66 - H SER 50 far 0 91 0 - 6.8-10.4 H GLY 66 - H SER 60 far 0 99 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 6737 from nnoeabs.peaks (4.33, 8.66, 113.17 ppm; 4.33 A): 2 out of 6 assignments used, quality = 1.00: * HA ASN 59 + H SER 60 OK 100 100 100 100 3.4-3.5 3.6=100 HA ASP 47 + H SER 50 OK 89 90 100 99 3.1-3.9 3.6/6590=49, 1468=47...(16) HA LEU 69 - H SER 50 far 0 93 0 - 8.9-11.2 HA LYS 24 - H SER 50 far 0 94 0 - 8.9-28.7 HA ASP 131 - H SER 50 far 0 59 0 - 9.6-12.3 HA LYS 24 - H SER 60 far 0 100 0 - 9.6-29.3 Violated in 0 structures by 0.00 A. Peak 6738 from nnoeabs.peaks (2.62, 8.66, 113.17 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.97: * HB2 ASN 59 + H SER 60 OK 97 100 100 97 2.8-3.8 1.8/6739=77, 4.5=66...(6) Violated in 0 structures by 0.00 A. Peak 6739 from nnoeabs.peaks (2.87, 8.66, 113.17 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.95: * HB3 ASN 59 + H SER 60 OK 95 100 100 95 2.9-4.4 1.8/6738=72, 4.5=62...(6) HB2 ASN 116 - H SER 60 far 0 73 0 - 6.2-17.7 HB3 ASP 131 - H SER 50 far 0 90 0 - 9.0-12.5 Violated in 12 structures by 0.22 A. Peak 6742 from nnoeabs.peaks (4.01, 8.66, 113.17 ppm; 3.81 A): 3 out of 11 assignments used, quality = 1.00: * HA SER 60 + H SER 60 OK 100 100 100 100 2.8-2.9 2.8=100 HA SER 50 + H SER 50 OK 85 85 100 100 2.8-2.8 2.9=100 HB3 SER 51 + H SER 50 OK 47 54 95 92 4.5-5.4 ~1616=37, 1588=32...(19) HA VAL 20 - H SER 60 far 0 85 0 - 7.7-33.1 HA LEU 119 - H SER 60 far 0 90 0 - 8.0-14.2 HA LEU 119 - H SER 50 far 0 80 0 - 8.1-14.3 HA VAL 20 - H SER 50 far 0 75 0 - 8.4-31.7 HB3 SER 124 - H SER 50 far 0 73 0 - 9.1-12.3 HB2 SER 124 - H SER 50 far 0 84 0 - 9.7-12.8 HA LEU 103 - H SER 60 far 0 99 0 - 9.7-11.6 HA ILE 37 - H SER 50 far 0 88 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 6743 from nnoeabs.peaks (3.91, 8.66, 113.17 ppm; 4.15 A): 4 out of 12 assignments used, quality = 1.00: * HB2 SER 60 + H SER 60 OK 100 100 100 100 2.1-3.6 4.0=100 HB3 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 HA ALA 46 + H SER 50 OK 79 85 100 93 3.7-4.8 2.1/9213=32, 1455/3.2=27...(18) HB3 SER 50 + H SER 50 OK 73 73 100 100 2.1-3.5 3.9=100 HA2 GLY 114 - H SER 60 far 7 68 10 - 4.3-14.4 HD3 PRO 113 - H SER 60 far 3 60 5 - 4.9-14.7 HA2 GLY 111 - H SER 60 lone 0 76 40 1 2.9-18.1 HA2 GLY 2 - H SER 50 far 0 82 0 - 5.9-69.6 HA3 GLY 2 - H SER 50 far 0 82 0 - 7.6-70.0 HB2 SER 107 - H SER 60 far 0 93 0 - 7.8-16.2 HA2 GLY 14 - H SER 60 far 0 97 0 - 9.7-39.3 HA3 GLY 14 - H SER 60 far 0 97 0 - 10.0-38.3 Violated in 0 structures by 0.00 A. Peak 6744 from nnoeabs.peaks (3.91, 8.66, 113.17 ppm; 4.15 A): 4 out of 12 assignments used, quality = 1.00: HB2 SER 60 + H SER 60 OK 100 100 100 100 2.1-3.6 4.0=100 * HB3 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 HA ALA 46 + H SER 50 OK 79 85 100 93 3.7-4.8 2.1/9213=32, 1455/3.2=27...(18) HB3 SER 50 + H SER 50 OK 73 73 100 100 2.1-3.5 3.9=100 HA2 GLY 114 - H SER 60 far 7 68 10 - 4.3-14.4 HD3 PRO 113 - H SER 60 far 3 60 5 - 4.9-14.7 HA2 GLY 111 - H SER 60 lone 0 76 40 1 2.9-18.1 HA2 GLY 2 - H SER 50 far 0 82 0 - 5.9-69.6 HA3 GLY 2 - H SER 50 far 0 82 0 - 7.6-70.0 HB2 SER 107 - H SER 60 far 0 93 0 - 7.8-16.2 HA2 GLY 14 - H SER 60 far 0 97 0 - 9.7-39.3 HA3 GLY 14 - H SER 60 far 0 97 0 - 10.0-38.3 Violated in 0 structures by 0.00 A. Peak 6745 from nnoeabs.peaks (7.42, 8.66, 113.17 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.99: * H GLN 61 + H SER 60 OK 93 100 100 93 2.6-3.0 6750=72, 6749/3.6=22...(13) H LEU 62 + H SER 60 OK 85 95 100 90 3.9-4.4 3.9/6750=44, 6780/3.6=43...(16) HE22 GLN 104 - H SER 60 far 5 99 5 - 5.5-10.5 H LEU 62 - H SER 50 far 0 85 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 6746 from nnoeabs.peaks (7.43, 8.66, 113.17 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 62 + H SER 60 OK 91 100 100 91 3.9-4.4 6780/3.6=47, 3.9/6750=44...(16) H GLN 61 + H SER 60 OK 87 95 100 92 2.6-3.0 4.6=70, 1879/3.6=21...(12) HE22 GLN 104 - H SER 60 far 5 99 5 - 5.5-10.5 H LEU 62 - H SER 50 far 0 94 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 6747 from nnoeabs.peaks (7.42, 7.42, 122.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 61 + H GLN 61 OK 100 100 - 100 Peak 6748 from nnoeabs.peaks (8.89, 7.42, 122.18 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 59 + H GLN 61 OK 100 100 100 100 4.2-4.8 6736/6750=94...(14) H GLY 66 + H GLN 61 OK 69 99 100 70 7.2-8.0 ~6833=34, 6847/1961=29...(5) Violated in 0 structures by 0.00 A. Peak 6749 from nnoeabs.peaks (4.33, 7.42, 122.18 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 59 + H GLN 61 OK 100 100 100 100 4.1-4.7 3.6/6750=96, 6780/3.9=93...(16) HA LYS 24 - H GLN 61 far 5 100 5 - 7.5-26.7 Violated in 0 structures by 0.00 A. Peak 6750 from nnoeabs.peaks (8.66, 7.42, 122.18 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H SER 60 + H GLN 61 OK 100 100 100 100 2.6-3.0 4.6=98, 6746/3.9=31...(14) H HIS 67 - H GLN 61 far 0 97 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 6751 from nnoeabs.peaks (4.01, 7.42, 122.18 ppm; 6.40 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 60 + H GLN 61 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 119 - H GLN 61 far 0 90 0 - 8.3-14.7 HA VAL 20 - H GLN 61 far 0 85 0 - 8.8-30.5 Violated in 0 structures by 0.00 A. Peak 6754 from nnoeabs.peaks (4.28, 7.42, 122.18 ppm; 4.60 A): 1 out of 14 assignments used, quality = 1.00: * HA GLN 61 + H GLN 61 OK 100 100 100 100 2.8-2.9 2.8=100 HA ALA 110 - H GLN 61 far 10 100 10 - 4.8-21.1 HA ALA 109 - H GLN 61 far 10 100 10 - 4.8-19.3 HA ALA 108 - H GLN 61 far 10 100 10 - 5.5-19.0 HA ALA 12 - H GLN 61 far 5 100 5 - 5.4-40.3 HA THR 18 - H GLN 61 far 0 97 0 - 6.3-35.6 HA LYS 26 - H GLN 61 far 0 96 0 - 6.5-25.1 HA THR 25 - H GLN 61 far 0 97 0 - 6.7-24.7 HA ARG 23 - H GLN 61 far 0 100 0 - 6.9-25.4 HA LYS 31 - H GLN 61 far 0 100 0 - 7.5-25.4 HA ALA 21 - H GLN 61 far 0 98 0 - 7.8-31.5 HA LEU 22 - H GLN 61 far 0 95 0 - 8.2-28.9 HA LYS 19 - H GLN 61 far 0 93 0 - 8.6-33.1 HA ALA 16 - H GLN 61 far 0 100 0 - 9.1-36.8 Violated in 0 structures by 0.00 A. Peak 6755 from nnoeabs.peaks (2.10, 7.42, 122.18 ppm; 4.10 A): 4 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + H GLN 61 OK 100 100 100 100 3.0-3.6 4.0=100 HB3 GLN 61 + H GLN 61 OK 100 100 100 100 2.1-3.6 4.0=100 HB VAL 57 + H GLN 61 OK 66 99 100 67 4.6-5.4 2.1/9298=21, 1945/4.5=16...(12) HG3 PRO 58 + H GLN 61 OK 57 68 100 83 2.1-4.5 2.3/10981=50...(16) HB VAL 112 - H GLN 61 far 0 83 0 - 7.2-19.1 Violated in 0 structures by 0.00 A. Peak 6756 from nnoeabs.peaks (2.10, 7.42, 122.18 ppm; 4.10 A): 4 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + H GLN 61 OK 100 100 100 100 2.1-3.6 4.0=100 HB2 GLN 61 + H GLN 61 OK 100 100 100 100 3.0-3.6 4.0=100 HB VAL 57 + H GLN 61 OK 65 97 100 67 4.6-5.4 2.1/9298=21, 1945/4.5=16...(11) HG3 PRO 58 + H GLN 61 OK 49 60 100 82 2.1-4.5 2.3/10981=50...(13) HB VAL 112 - H GLN 61 far 0 89 0 - 7.2-19.1 Violated in 0 structures by 0.00 A. Peak 6757 from nnoeabs.peaks (2.28, 7.42, 122.18 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 61 + H GLN 61 OK 100 100 100 100 2.0-4.4 4.5=100 HG2 GLU 30 - H GLN 61 far 0 99 0 - 6.9-22.9 HB3 PRO 113 - H GLN 61 far 0 99 0 - 7.7-14.1 Violated in 0 structures by 0.00 A. Peak 6758 from nnoeabs.peaks (2.41, 7.42, 122.18 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 61 + H GLN 61 OK 100 100 100 100 1.9-3.9 4.5=100 HB3 PRO 58 + H GLN 61 OK 95 100 100 95 3.3-5.5 1.8/10981=68...(11) Violated in 0 structures by 0.00 A. Peak 6761 from nnoeabs.peaks (7.43, 7.42, 122.18 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: H GLN 61 + H GLN 61 OK 95 95 - 100 Reference assignment not found: H LEU 62 - H GLN 61 Peak 6762 from nnoeabs.peaks (8.20, 7.42, 122.18 ppm; 6.30 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 63 + H GLN 61 OK 100 100 100 100 3.9-4.6 6797/3.9=93, 1901/3.6=87...(13) Violated in 0 structures by 0.00 A. Peak 6763 from nnoeabs.peaks (6.88, 6.88, 111.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 61 + HE21 GLN 61 OK 100 100 - 100 Peak 6766 from nnoeabs.peaks (2.10, 6.88, 111.48 ppm; 5.58 A): 4 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.3-4.5 4.4=100 HB3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.6-4.8 4.4=100 HB VAL 57 + HE21 GLN 61 OK 99 99 100 100 1.9-4.9 2.1/9376=90, 2.1/9300=82...(10) HG3 PRO 58 + HE21 GLN 61 OK 45 68 100 65 3.8-6.7 1809/9376=24...(6) HB VAL 112 - HE21 GLN 61 far 0 83 0 - 8.3-20.0 Violated in 0 structures by 0.00 A. Peak 6767 from nnoeabs.peaks (2.10, 6.88, 111.48 ppm; 5.58 A): 4 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.6-4.8 4.4=100 HB2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.3-4.5 4.4=100 HB VAL 57 + HE21 GLN 61 OK 97 97 100 100 1.9-4.9 2.1/9376=90, 2.1/9300=82...(10) HG3 PRO 58 + HE21 GLN 61 OK 38 60 100 64 3.8-6.7 1809/9376=24...(6) HB VAL 112 - HE21 GLN 61 far 0 89 0 - 8.3-20.0 Violated in 0 structures by 0.00 A. Peak 6768 from nnoeabs.peaks (2.28, 6.88, 111.48 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 2.5-4.1 3.5=100 HB3 PRO 113 - HE21 GLN 61 far 0 99 0 - 8.0-16.6 HG2 GLU 30 - HE21 GLN 61 far 0 99 0 - 8.5-25.1 Violated in 0 structures by 0.00 A. Peak 6769 from nnoeabs.peaks (2.41, 6.88, 111.48 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 2.2-4.1 3.5=100 HG3 GLU 55 - HE21 GLN 61 far 9 89 10 - 5.0-10.1 HB3 PRO 58 - HE21 GLN 61 far 0 100 0 - 6.1-8.6 Violated in 0 structures by 0.00 A. Peak 6770 from nnoeabs.peaks (7.56, 6.88, 111.48 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 61 + HE21 GLN 61 OK 100 100 100 100 1.7-1.7 1.7=100 H THR 54 - HE21 GLN 61 far 0 97 0 - 6.9-10.9 H LEU 119 - HE21 GLN 61 far 0 89 0 - 7.7-19.0 HE22 GLN 27 - HE21 GLN 61 far 0 71 0 - 9.2-29.3 Violated in 0 structures by 0.00 A. Peak 6771 from nnoeabs.peaks (7.56, 7.56, 111.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 61 + HE22 GLN 61 OK 100 100 - 100 Peak 6774 from nnoeabs.peaks (2.10, 7.56, 111.48 ppm; 5.31 A): 4 out of 6 assignments used, quality = 1.00: * HB2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 1.9-4.6 4.4=100 HB3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.2-5.4 4.4=100 HB VAL 57 + HE22 GLN 61 OK 99 99 100 100 2.8-5.7 2.1/9371=85, ~9376=71...(11) HG3 PRO 58 + HE22 GLN 61 OK 40 68 95 62 2.3-7.4 1866/3.5=22...(6) HB VAL 126 - HE22 GLN 61 far 0 99 0 - 9.8-16.8 HB VAL 112 - HE22 GLN 61 far 0 83 0 - 9.9-20.6 Violated in 0 structures by 0.00 A. Peak 6775 from nnoeabs.peaks (2.10, 7.56, 111.48 ppm; 5.31 A): 4 out of 6 assignments used, quality = 1.00: * HB3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.2-5.4 4.4=100 HB2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 1.9-4.6 4.4=100 HB VAL 57 + HE22 GLN 61 OK 97 97 100 100 2.8-5.7 2.1/9371=85, ~9376=71...(11) HG3 PRO 58 + HE22 GLN 61 OK 34 60 95 60 2.3-7.4 1809/9371=21...(6) HB VAL 126 - HE22 GLN 61 far 0 100 0 - 9.8-16.8 HB VAL 112 - HE22 GLN 61 far 0 89 0 - 9.9-20.6 Violated in 0 structures by 0.00 A. Peak 6776 from nnoeabs.peaks (2.28, 7.56, 111.48 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 PRO 113 - HE22 GLN 61 far 0 99 0 - 7.3-17.5 HG2 GLU 30 - HE22 GLN 61 far 0 99 0 - 7.5-23.6 Violated in 1 structures by 0.00 A. Peak 6777 from nnoeabs.peaks (2.41, 7.56, 111.48 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.1-3.6 3.5=100 HG3 GLU 55 - HE22 GLN 61 far 9 89 10 - 5.4-11.0 HB3 PRO 58 - HE22 GLN 61 far 5 100 5 - 5.0-9.5 Violated in 0 structures by 0.00 A. Peak 6778 from nnoeabs.peaks (6.88, 7.56, 111.48 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 61 + HE22 GLN 61 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 13 - HE22 GLN 61 far 0 76 0 - 6.6-35.8 HE21 GLN 68 - HE22 GLN 61 far 0 78 0 - 7.0-14.4 Violated in 0 structures by 0.00 A. Peak 6779 from nnoeabs.peaks (7.43, 7.43, 120.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + H LEU 62 OK 100 100 - 100 Peak 6780 from nnoeabs.peaks (4.33, 7.43, 120.60 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 59 + H LEU 62 OK 100 100 100 100 3.1-3.6 1880/3.9=69, 9388/4.6=56...(17) HA LYS 24 - H LEU 62 far 0 100 0 - 9.2-26.4 Violated in 0 structures by 0.00 A. Peak 6783 from nnoeabs.peaks (7.42, 7.43, 120.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: H LEU 62 + H LEU 62 OK 95 95 - 100 Reference assignment not found: H GLN 61 - H LEU 62 Peak 6784 from nnoeabs.peaks (4.28, 7.43, 120.60 ppm; 4.82 A): 1 out of 11 assignments used, quality = 1.00: * HA GLN 61 + H LEU 62 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 110 - H LEU 62 far 5 100 5 - 6.1-20.2 HA ALA 109 - H LEU 62 far 5 100 5 - 5.8-17.9 HA ALA 108 - H LEU 62 far 0 100 0 - 6.9-17.5 HA ALA 12 - H LEU 62 far 0 100 0 - 7.3-40.4 HA THR 18 - H LEU 62 far 0 97 0 - 7.3-35.8 HA THR 25 - H LEU 62 far 0 97 0 - 7.5-22.9 HA ALA 21 - H LEU 62 far 0 98 0 - 8.0-31.6 HA LYS 26 - H LEU 62 far 0 96 0 - 8.1-23.7 HA LYS 31 - H LEU 62 far 0 100 0 - 9.2-24.2 HA ARG 23 - H LEU 62 far 0 100 0 - 9.2-25.6 Violated in 0 structures by 0.00 A. Peak 6785 from nnoeabs.peaks (2.10, 7.43, 120.60 ppm; 4.25 A): 4 out of 5 assignments used, quality = 1.00: HB3 GLN 61 + H LEU 62 OK 96 100 100 96 2.8-4.1 4.6=77, 3.0/6787=43...(11) * HB2 GLN 61 + H LEU 62 OK 94 100 100 94 2.8-4.1 4.6=77, 3.0/6787=43...(8) HB VAL 57 + H LEU 62 OK 92 99 100 94 3.7-4.6 10922/6795=42...(15) HG3 PRO 58 + H LEU 62 OK 48 68 95 75 3.5-6.0 2.3/9333=32, 2.3/9331=24...(12) HB VAL 112 - H LEU 62 far 0 83 0 - 7.6-17.6 Violated in 0 structures by 0.00 A. Peak 6786 from nnoeabs.peaks (2.10, 7.43, 120.60 ppm; 4.23 A): 4 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + H LEU 62 OK 95 100 100 95 2.8-4.1 4.6=76, 3.0/6787=42...(11) HB2 GLN 61 + H LEU 62 OK 94 100 100 94 2.8-4.1 4.6=76, 3.0/6787=42...(8) HB VAL 57 + H LEU 62 OK 90 97 100 93 3.7-4.6 2.1/9296=41...(14) HG3 PRO 58 + H LEU 62 OK 41 60 95 72 3.5-6.0 2.3/9333=32, 2.3/9331=24...(11) HB VAL 112 - H LEU 62 far 0 89 0 - 7.6-17.6 Violated in 0 structures by 0.00 A. Peak 6787 from nnoeabs.peaks (2.28, 7.43, 120.60 ppm; 5.37 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 61 + H LEU 62 OK 100 100 100 100 1.9-4.1 1944/3.6=89, 1951=51...(10) HB3 PRO 113 - H LEU 62 far 5 99 5 - 6.3-13.3 HG2 GLU 30 - H LEU 62 far 0 99 0 - 8.4-21.2 Violated in 0 structures by 0.00 A. Peak 6788 from nnoeabs.peaks (2.41, 7.43, 120.60 ppm; 6.30 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 61 + H LEU 62 OK 100 100 100 100 1.8-4.2 1953/3.6=99, 1.8/6787=97...(19) HB3 PRO 58 + H LEU 62 OK 99 100 100 99 4.8-6.5 9331=53, 1.8/9333=52...(11) HG3 GLU 55 - H LEU 62 far 0 89 0 - 8.8-12.8 Violated in 0 structures by 0.00 A. Peak 6791 from nnoeabs.peaks (3.85, 7.43, 120.60 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 62 + H LEU 62 OK 100 100 100 100 2.8-2.8 2.9=100 HD3 PRO 58 - H LEU 62 far 0 68 0 - 5.7-6.8 HA LEU 123 - H LEU 62 far 0 100 0 - 8.4-12.9 Violated in 0 structures by 0.00 A. Peak 6792 from nnoeabs.peaks (2.06, 7.43, 120.60 ppm; 4.10 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 62 + H LEU 62 OK 100 100 100 100 2.1-3.2 3.9=100 HG3 PRO 58 + H LEU 62 OK 66 92 95 76 3.5-6.0 2.3/9333=30, 2.3/9331=22...(11) HG3 PRO 113 - H LEU 62 far 0 100 0 - 6.8-15.6 HB3 GLN 27 - H LEU 62 far 0 100 0 - 8.0-22.3 HB VAL 118 - H LEU 62 far 0 100 0 - 8.1-16.6 QE MET 11 - H LEU 62 far 0 90 0 - 8.5-36.6 HB3 GLU 55 - H LEU 62 far 0 92 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 6793 from nnoeabs.peaks (1.14, 7.43, 120.60 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + H LEU 62 OK 100 100 100 100 2.0-3.2 3.9=100 QG2 THR 18 - H LEU 62 far 0 65 0 - 5.7-30.4 HG12 ILE 32 - H LEU 62 far 0 87 0 - 7.4-19.8 QG2 THR 115 - H LEU 62 far 0 97 0 - 7.7-13.9 Violated in 0 structures by 0.00 A. Peak 6794 from nnoeabs.peaks (1.65, 7.43, 120.60 ppm; 3.63 A): 1 out of 12 assignments used, quality = 0.99: * HG LEU 62 + H LEU 62 OK 99 100 100 99 3.8-4.6 2.1/6795=59, 4.8=44...(18) HG LEU 119 - H LEU 62 far 0 68 0 - 5.7-13.2 HB2 LEU 123 - H LEU 62 far 0 100 0 - 7.0-12.1 HD3 LYS 26 - H LEU 62 far 0 97 0 - 7.5-24.9 HD2 LYS 26 - H LEU 62 far 0 96 0 - 7.6-25.5 HD2 LYS 19 - H LEU 62 far 0 100 0 - 8.3-35.5 HD3 LYS 31 - H LEU 62 far 0 96 0 - 8.9-24.4 HD2 LYS 31 - H LEU 62 far 0 95 0 - 9.1-25.1 HG3 ARG 23 - H LEU 62 far 0 78 0 - 9.2-29.1 HD3 LYS 24 - H LEU 62 far 0 96 0 - 9.3-28.0 HD3 LYS 19 - H LEU 62 far 0 100 0 - 9.8-34.0 HD2 LYS 24 - H LEU 62 far 0 95 0 - 9.9-28.8 Violated in 20 structures by 0.68 A. Peak 6795 from nnoeabs.peaks (0.68, 7.43, 120.60 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + H LEU 62 OK 100 100 100 100 4.0-4.3 1997=84, 2.1/6794=79...(16) QD2 LEU 100 - H LEU 62 far 0 100 0 - 5.7-10.2 Violated in 19 structures by 0.09 A. Peak 6796 from nnoeabs.peaks (0.91, 7.43, 120.60 ppm; 3.60 A): 2 out of 14 assignments used, quality = 1.00: * QD1 LEU 62 + H LEU 62 OK 99 100 100 99 3.1-4.3 2.1/6794=67, 2.1/6795=58...(18) QG2 VAL 63 + H LEU 62 OK 77 100 85 91 4.3-5.3 3.7/6797=40...(15) QD2 LEU 48 - H LEU 62 far 5 100 5 - 5.0-12.1 QD2 LEU 123 - H LEU 62 far 0 60 0 - 5.4-10.1 QD1 LEU 119 - H LEU 62 far 0 63 0 - 5.8-11.1 QD1 LEU 123 - H LEU 62 far 0 93 0 - 5.8-12.4 QG2 VAL 20 - H LEU 62 far 0 78 0 - 6.1-25.8 QD1 LEU 48 - H LEU 62 far 0 97 0 - 6.3-13.2 QG2 VAL 112 - H LEU 62 far 0 97 0 - 6.5-15.4 QG1 VAL 118 - H LEU 62 far 0 93 0 - 6.9-13.1 QD1 LEU 22 - H LEU 62 far 0 85 0 - 7.0-25.8 QD1 LEU 49 - H LEU 62 far 0 100 0 - 7.1-9.6 QG1 VAL 20 - H LEU 62 far 0 99 0 - 7.4-28.2 QG2 ILE 37 - H LEU 62 far 0 78 0 - 9.3-19.1 Violated in 18 structures by 0.18 A. Peak 6797 from nnoeabs.peaks (8.20, 7.43, 120.60 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 63 + H LEU 62 OK 99 100 100 99 2.6-2.9 4.2=87, 6806/3.9=46...(14) H LEU 122 - H LEU 62 far 0 87 0 - 9.4-14.1 Violated in 0 structures by 0.00 A. Peak 6799 from nnoeabs.peaks (8.20, 8.20, 118.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 63 + H VAL 63 OK 100 100 - 100 Peak 6800 from nnoeabs.peaks (4.33, 8.20, 118.17 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + H VAL 63 OK 100 100 100 100 2.8-3.6 1880/6806=98...(14) Violated in 0 structures by 0.00 A. Peak 6801 from nnoeabs.peaks (4.01, 8.20, 118.17 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 60 + H VAL 63 OK 100 100 100 100 3.7-4.6 1901=86, 2020/6812=71...(11) HA LEU 119 - H VAL 63 poor 14 90 30 52 5.0-11.7 10954/6810=19...(8) HA LEU 103 - H VAL 63 far 0 99 0 - 7.7-10.1 HB3 SER 99 - H VAL 63 far 0 100 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 6802 from nnoeabs.peaks (7.42, 8.20, 118.17 ppm; 4.19 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 61 + H VAL 63 OK 97 100 100 97 3.9-4.6 3.9/6797=53, 3.6/1901=44...(13) H LEU 62 + H VAL 63 OK 94 95 100 100 2.6-2.9 4.2=98, 3.9/6806=50...(14) HE22 GLN 104 - H VAL 63 far 10 99 10 - 5.2-8.6 Violated in 0 structures by 0.00 A. Peak 6803 from nnoeabs.peaks (4.28, 8.20, 118.17 ppm; 5.96 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 61 + H VAL 63 OK 100 100 100 100 4.4-5.1 3.6/6797=92...(5) HA ALA 108 - H VAL 63 poor 15 100 40 37 5.0-15.5 ~9398=16, 6819/6815=13...(5) HA ALA 110 - H VAL 63 far 10 100 10 - 6.8-18.7 HA ALA 109 - H VAL 63 far 10 100 10 - 6.0-16.5 HA THR 25 - H VAL 63 far 0 97 0 - 8.1-22.4 HA LYS 26 - H VAL 63 far 0 96 0 - 8.2-21.3 HA ALA 12 - H VAL 63 far 0 100 0 - 9.3-41.4 HA ARG 23 - H VAL 63 far 0 100 0 - 9.5-26.3 HA LYS 31 - H VAL 63 far 0 100 0 - 9.8-21.9 Violated in 0 structures by 0.00 A. Peak 6804 from nnoeabs.peaks (7.43, 8.20, 118.17 ppm; 4.19 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 62 + H VAL 63 OK 100 100 100 100 2.6-2.9 6797=100, 3.9/6806=50...(14) H GLN 61 + H VAL 63 OK 91 95 100 97 3.9-4.6 3.9/6797=53, 3.6/1901=44...(13) HE22 GLN 104 - H VAL 63 far 10 99 10 - 5.2-8.6 Violated in 0 structures by 0.00 A. Peak 6805 from nnoeabs.peaks (3.85, 8.20, 118.17 ppm; 4.87 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 62 + H VAL 63 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 123 - H VAL 63 far 0 100 0 - 7.9-12.1 HD3 PRO 58 - H VAL 63 far 0 68 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 6806 from nnoeabs.peaks (2.06, 8.20, 118.17 ppm; 4.20 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 62 + H VAL 63 OK 100 100 100 100 2.4-4.1 4.5=79, 3.9/6797=52...(20) HB3 GLN 27 - H VAL 63 far 0 100 0 - 5.7-20.2 HG3 PRO 58 - H VAL 63 far 0 92 0 - 6.0-8.1 HB VAL 118 - H VAL 63 far 0 100 0 - 6.5-15.2 HG3 PRO 113 - H VAL 63 far 0 100 0 - 6.6-15.0 QE MET 11 - H VAL 63 far 0 90 0 - 9.6-37.6 Violated in 0 structures by 0.00 A. Peak 6807 from nnoeabs.peaks (1.14, 8.20, 118.17 ppm; 5.28 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + H VAL 63 OK 100 100 100 100 2.1-3.0 4.5=100 QG2 THR 115 - H VAL 63 far 0 97 0 - 7.4-13.5 QG2 THR 18 - H VAL 63 far 0 65 0 - 7.8-31.3 HG12 ILE 32 - H VAL 63 far 0 87 0 - 8.5-17.6 Violated in 0 structures by 0.00 A. Peak 6808 from nnoeabs.peaks (1.65, 8.20, 118.17 ppm; 4.58 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 62 + H VAL 63 OK 100 100 100 100 4.2-5.1 3.0/6806=71...(15) HG LEU 119 - H VAL 63 poor 17 68 45 57 5.2-12.3 1976/6806=17...(6) HB2 LEU 123 - H VAL 63 far 0 100 0 - 6.7-11.7 HD2 LYS 26 - H VAL 63 far 0 96 0 - 8.0-23.1 HD3 LYS 26 - H VAL 63 far 0 97 0 - 8.4-22.5 HD2 LYS 31 - H VAL 63 far 0 95 0 - 8.7-22.8 HD3 LYS 31 - H VAL 63 far 0 96 0 - 8.9-22.2 HB2 LEU 69 - H VAL 63 far 0 81 0 - 9.1-12.1 Violated in 11 structures by 0.17 A. Peak 6809 from nnoeabs.peaks (0.68, 8.20, 118.17 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + H VAL 63 OK 100 100 100 100 3.3-4.1 3.1/6806=65, 2.1/6808=59...(15) QD2 LEU 100 + H VAL 63 OK 79 100 80 99 3.8-8.0 10974/2027=47, ~10958=39...(19) Violated in 0 structures by 0.00 A. Peak 6810 from nnoeabs.peaks (0.91, 8.20, 118.17 ppm; 3.57 A): 2 out of 14 assignments used, quality = 1.00: QG2 VAL 63 + H VAL 63 OK 100 100 100 100 1.9-3.0 3.7=87, 2.1/6812=68...(19) * QD1 LEU 62 + H VAL 63 OK 98 100 100 98 1.9-4.5 3.2/6806=43, 2.1/6808=38...(23) QG1 VAL 118 - H VAL 63 far 5 93 5 - 5.1-11.8 QD2 LEU 123 - H VAL 63 far 0 60 0 - 5.5-10.0 QD1 LEU 119 - H VAL 63 far 0 63 0 - 5.8-10.1 QG2 VAL 112 - H VAL 63 far 0 97 0 - 6.1-14.9 QD2 LEU 48 - H VAL 63 far 0 100 0 - 6.2-12.8 QD1 LEU 123 - H VAL 63 far 0 93 0 - 6.3-12.3 QD1 LEU 48 - H VAL 63 far 0 97 0 - 6.8-14.2 QG2 VAL 20 - H VAL 63 far 0 78 0 - 7.4-26.3 QD1 LEU 49 - H VAL 63 far 0 100 0 - 7.4-9.3 QD1 LEU 22 - H VAL 63 far 0 85 0 - 8.6-25.7 QG1 VAL 20 - H VAL 63 far 0 99 0 - 8.7-28.8 QG2 ILE 37 - H VAL 63 far 0 78 0 - 8.9-17.8 Violated in 0 structures by 0.00 A. Peak 6811 from nnoeabs.peaks (3.37, 8.20, 118.17 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 63 + H VAL 63 OK 100 100 100 100 2.7-2.9 2.9=100 HB2 HIS 67 - H VAL 63 far 0 73 0 - 6.1-7.7 Violated in 0 structures by 0.00 A. Peak 6812 from nnoeabs.peaks (2.02, 8.20, 118.17 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.99: * HB VAL 63 + H VAL 63 OK 99 100 100 99 2.1-2.6 2021=77, 2.1/2027=57...(10) HG2 PRO 58 - H VAL 63 far 0 100 0 - 6.4-8.3 HB3 LEU 53 - H VAL 63 far 0 63 0 - 7.0-13.0 HB3 GLU 30 - H VAL 63 far 0 100 0 - 7.0-20.9 QE MET 11 - H VAL 63 far 0 85 0 - 9.6-37.6 HB VAL 20 - H VAL 63 far 0 83 0 - 9.9-33.2 Violated in 0 structures by 0.00 A. Peak 6813 from nnoeabs.peaks (0.78, 8.20, 118.17 ppm; 3.48 A): 3 out of 10 assignments used, quality = 1.00: * QG1 VAL 63 + H VAL 63 OK 99 100 100 99 3.5-3.8 2027=67, 2.1/6812=65...(15) QD2 LEU 119 + H VAL 63 OK 24 87 45 61 3.4-12.2 10994/3.6=19...(12) QD1 LEU 103 + H VAL 63 OK 23 100 25 90 4.4-7.2 11835/2.9=41...(13) QD2 LEU 122 - H VAL 63 far 15 100 15 - 4.1-8.5 QD1 LEU 122 - H VAL 63 poor 15 73 20 - 3.7-8.5 QD1 LEU 53 - H VAL 63 far 0 97 0 - 5.4-11.3 QD1 ILE 32 - H VAL 63 far 0 99 0 - 5.8-14.1 QD2 LEU 49 - H VAL 63 far 0 93 0 - 6.3-8.7 QD1 LEU 96 - H VAL 63 far 0 97 0 - 8.4-11.3 QD1 ILE 37 - H VAL 63 far 0 100 0 - 8.5-16.9 Violated in 11 structures by 0.07 A. Peak 6814 from nnoeabs.peaks (0.91, 8.20, 118.17 ppm; 3.57 A): 2 out of 13 assignments used, quality = 1.00: * QG2 VAL 63 + H VAL 63 OK 100 100 100 100 1.9-3.0 3.7=87, 2.1/6812=68...(19) QD1 LEU 62 + H VAL 63 OK 98 100 100 98 1.9-4.5 3.2/6806=43, 2.1/6808=38...(23) QG1 VAL 118 - H VAL 63 far 5 97 5 - 5.1-11.8 QD2 LEU 123 - H VAL 63 far 0 68 0 - 5.5-10.0 QG2 VAL 112 - H VAL 63 far 0 95 0 - 6.1-14.9 QD2 LEU 48 - H VAL 63 far 0 100 0 - 6.2-12.8 QD1 LEU 123 - H VAL 63 far 0 89 0 - 6.3-12.3 QD1 LEU 48 - H VAL 63 far 0 95 0 - 6.8-14.2 QG2 VAL 20 - H VAL 63 far 0 85 0 - 7.4-26.3 QD1 LEU 49 - H VAL 63 far 0 100 0 - 7.4-9.3 QD1 LEU 22 - H VAL 63 far 0 90 0 - 8.6-25.7 QG1 VAL 20 - H VAL 63 far 0 100 0 - 8.7-28.8 QG2 ILE 37 - H VAL 63 far 0 71 0 - 8.9-17.8 Violated in 0 structures by 0.00 A. Peak 6815 from nnoeabs.peaks (7.96, 8.20, 118.17 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.99: * H ASP 64 + H VAL 63 OK 99 100 100 99 2.6-3.0 6822=80, 6824/6812=48...(13) H VAL 112 - H VAL 63 far 0 73 0 - 6.6-15.1 H SER 124 - H VAL 63 far 0 95 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 6816 from nnoeabs.peaks (8.38, 8.20, 118.17 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H THR 65 + H VAL 63 OK 100 100 100 100 4.0-4.6 6835=100, 4.2/6815=97...(15) H GLN 27 - H VAL 63 far 10 99 10 - 5.8-18.7 H LYS 26 - H VAL 63 far 10 97 10 - 8.2-20.4 Violated in 0 structures by 0.00 A. Peak 6817 from nnoeabs.peaks (7.96, 7.96, 120.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 64 + H ASP 64 OK 100 100 - 100 Peak 6818 from nnoeabs.peaks (4.01, 7.96, 120.19 ppm; 4.90 A): 1 out of 4 assignments used, quality = 0.99: * HA SER 60 + H ASP 64 OK 99 100 100 99 3.6-4.5 2020/6824=69...(10) HA LEU 119 - H ASP 64 far 0 90 0 - 7.7-13.7 HA GLN 68 - H ASP 64 far 0 90 0 - 8.3-9.1 HA LEU 103 - H ASP 64 far 0 99 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 6819 from nnoeabs.peaks (4.28, 7.96, 120.19 ppm; 4.74 A): 1 out of 12 assignments used, quality = 0.99: * HA GLN 61 + H ASP 64 OK 99 100 100 99 3.5-4.0 2053/3.9=70...(9) HA ALA 108 - H ASP 64 poor 18 100 25 74 4.3-17.6 ~11883=56, 2.1/9409=31...(6) HA ALA 109 - H ASP 64 far 5 100 5 - 6.0-18.5 HA THR 25 - H ASP 64 far 5 97 5 - 5.7-21.4 HA LYS 26 - H ASP 64 far 5 96 5 - 5.9-21.5 HA ALA 110 - H ASP 64 far 0 100 0 - 7.5-20.4 HA LYS 31 - H ASP 64 far 0 100 0 - 7.7-20.9 HA LEU 22 - H ASP 64 far 0 95 0 - 8.7-26.9 HA ARG 23 - H ASP 64 far 0 100 0 - 8.9-24.0 HA ALA 12 - H ASP 64 far 0 100 0 - 9.0-39.3 HA ALA 21 - H ASP 64 far 0 98 0 - 9.2-30.1 HA ALA 16 - H ASP 64 far 0 100 0 - 9.8-34.8 Violated in 0 structures by 0.00 A. Peak 6820 from nnoeabs.peaks (7.43, 7.96, 120.19 ppm; 6.58 A): 3 out of 3 assignments used, quality = 1.00: * H LEU 62 + H ASP 64 OK 100 100 100 100 3.9-4.4 6797/6815=96...(9) H GLN 61 + H ASP 64 OK 94 95 100 100 4.6-5.1 3.6/6818=91, 2.8/1922=84...(8) HE22 GLN 104 + H ASP 64 OK 87 99 90 97 5.1-9.0 10077/4.4=86...(5) Violated in 0 structures by 0.00 A. Peak 6822 from nnoeabs.peaks (8.20, 7.96, 120.19 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 63 + H ASP 64 OK 100 100 100 100 2.6-3.0 6815=100, 6812/6824=55...(13) H LEU 122 - H ASP 64 far 0 87 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 6823 from nnoeabs.peaks (3.37, 7.96, 120.19 ppm; 5.44 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 63 + H ASP 64 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 HIS 67 + H ASP 64 OK 73 73 100 100 4.8-6.2 ~2046=69, ~2046=66...(9) Violated in 0 structures by 0.00 A. Peak 6824 from nnoeabs.peaks (2.02, 7.96, 120.19 ppm; 3.99 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 63 + H ASP 64 OK 100 100 100 100 2.4-2.9 2026=93, 2.1/6825=64...(19) HB3 GLU 30 - H ASP 64 far 5 100 5 - 5.5-20.3 HG2 PRO 58 - H ASP 64 far 0 100 0 - 7.5-9.2 HB3 LEU 53 - H ASP 64 far 0 63 0 - 8.5-14.6 QE MET 11 - H ASP 64 far 0 85 0 - 9.1-36.0 HB VAL 20 - H ASP 64 far 0 83 0 - 9.5-30.9 Violated in 0 structures by 0.00 A. Peak 6825 from nnoeabs.peaks (0.78, 7.96, 120.19 ppm; 3.92 A): 1 out of 10 assignments used, quality = 1.00: * QG1 VAL 63 + H ASP 64 OK 100 100 100 100 2.2-3.6 4.3=75, 2.1/6824=68...(21) QD1 ILE 32 - H ASP 64 poor 13 99 25 53 4.2-13.3 10846/3.9=41...(4) QD2 LEU 122 - H ASP 64 far 5 100 5 - 5.2-9.2 QD1 LEU 122 - H ASP 64 far 4 73 5 - 4.4-9.2 QD1 LEU 103 - H ASP 64 far 0 100 0 - 5.6-8.6 QD2 LEU 119 - H ASP 64 far 0 87 0 - 5.9-14.0 QD1 LEU 53 - H ASP 64 far 0 97 0 - 6.0-12.8 QD2 LEU 49 - H ASP 64 far 0 93 0 - 6.5-8.5 QD1 ILE 37 - H ASP 64 far 0 100 0 - 7.0-15.5 QD1 LEU 96 - H ASP 64 far 0 97 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 6826 from nnoeabs.peaks (0.91, 7.96, 120.19 ppm; 3.48 A): 2 out of 13 assignments used, quality = 1.00: * QG2 VAL 63 + H ASP 64 OK 100 100 100 100 3.7-4.1 2.1/6824=54, 2034/3.6=51...(21) QD1 LEU 62 + H ASP 64 OK 32 100 45 72 4.0-6.7 6814/6815=21...(14) QD2 LEU 123 - H ASP 64 far 0 68 0 - 6.3-10.8 QG2 VAL 20 - H ASP 64 far 0 85 0 - 6.7-24.3 QD2 LEU 48 - H ASP 64 far 0 100 0 - 6.7-12.1 QG1 VAL 118 - H ASP 64 far 0 97 0 - 6.7-13.1 QD1 LEU 48 - H ASP 64 far 0 95 0 - 7.1-13.8 QG2 VAL 112 - H ASP 64 far 0 95 0 - 7.3-17.2 QG2 ILE 37 - H ASP 64 far 0 71 0 - 7.5-16.5 QD1 LEU 123 - H ASP 64 far 0 89 0 - 7.6-13.3 QD1 LEU 49 - H ASP 64 far 0 100 0 - 8.0-9.7 QG1 VAL 20 - H ASP 64 far 0 100 0 - 8.5-26.8 QD1 LEU 22 - H ASP 64 far 0 90 0 - 8.5-23.9 Violated in 20 structures by 0.29 A. Peak 6827 from nnoeabs.peaks (4.46, 7.96, 120.19 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 64 + H ASP 64 OK 100 100 100 100 2.7-2.8 2.9=100 HA PRO 58 - H ASP 64 far 0 100 0 - 8.6-9.4 HA SER 106 - H ASP 64 far 0 100 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 6828 from nnoeabs.peaks (2.75, 7.96, 120.19 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 64 + H ASP 64 OK 100 100 100 100 2.1-3.1 3.9=100 Violated in 0 structures by 0.00 A. Peak 6829 from nnoeabs.peaks (2.80, 7.96, 120.19 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 64 + H ASP 64 OK 100 100 100 100 2.1-3.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 6830 from nnoeabs.peaks (8.38, 7.96, 120.19 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * H THR 65 + H ASP 64 OK 100 100 100 100 2.7-3.0 4.2=100 H GLN 27 - H ASP 64 far 5 99 5 - 4.1-18.2 H LYS 26 - H ASP 64 far 0 97 0 - 5.8-20.6 H LYS 24 - H ASP 64 far 0 97 0 - 9.0-24.3 H GLY 14 - H ASP 64 far 0 93 0 - 10.0-36.3 Violated in 0 structures by 0.00 A. Peak 6831 from nnoeabs.peaks (8.90, 7.96, 120.19 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.99: * H GLY 66 + H ASP 64 OK 98 100 100 98 3.9-4.9 2019/3.6=82, 3.5/6837=55...(8) H ASN 59 + H ASP 64 OK 58 99 85 69 7.1-7.9 9350/4.4=34...(6) Violated in 0 structures by 0.00 A. Peak 6832 from nnoeabs.peaks (8.38, 8.38, 118.14 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H THR 65 + H THR 65 OK 100 100 - 100 H ASP 35 + H ASP 35 OK 96 96 - 100 Peak 6833 from nnoeabs.peaks (4.28, 8.38, 118.14 ppm; 4.69 A): 2 out of 21 assignments used, quality = 1.00: * HA GLN 61 + H THR 65 OK 99 100 100 99 3.6-4.5 2053/6840=65...(7) HA LYS 36 + H ASP 35 OK 96 96 100 100 4.8-5.4 3.0/6387=89...(12) HA THR 25 - H THR 65 far 5 97 5 - 5.1-21.6 HA THR 25 - H ASP 35 far 5 93 5 - 5.4-21.8 HA LYS 26 - H ASP 35 far 5 91 5 - 5.9-22.0 HA LYS 31 - H ASP 35 far 0 97 0 - 6.3-10.5 HA ALA 16 - H ASP 35 far 0 97 0 - 6.7-33.0 HA ALA 108 - H THR 65 far 0 100 0 - 6.8-18.9 HA LYS 31 - H THR 65 far 0 100 0 - 7.0-20.5 HA ALA 21 - H ASP 35 far 0 94 0 - 7.3-28.9 HA LYS 26 - H THR 65 far 0 96 0 - 7.4-22.0 HA LEU 22 - H ASP 35 far 0 90 0 - 7.5-28.7 HA ALA 21 - H THR 65 far 0 98 0 - 7.8-27.9 HA ARG 23 - H ASP 35 far 0 97 0 - 8.0-27.2 HA THR 18 - H ASP 35 far 0 92 0 - 8.0-34.3 HA ALA 15 - H ASP 35 far 0 97 0 - 8.4-32.3 HA LEU 22 - H THR 65 far 0 95 0 - 8.5-24.7 HA ALA 109 - H THR 65 far 0 100 0 - 8.5-19.9 HA SER 74 - H ASP 35 far 0 93 0 - 8.8-18.1 HA ALA 12 - H THR 65 far 0 100 0 - 9.3-37.0 HA ALA 110 - H THR 65 far 0 100 0 - 10.0-22.1 Violated in 0 structures by 0.00 A. Peak 6834 from nnoeabs.peaks (3.85, 8.38, 118.14 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 62 + H THR 65 OK 97 100 100 97 3.5-4.1 3.6/6835=49...(14) HB3 SER 33 + H ASP 35 OK 88 96 100 92 2.6-4.8 10864/6380=56...(9) HA LEU 123 - H THR 65 far 0 100 0 - 7.1-11.4 Violated in 0 structures by 0.00 A. Peak 6835 from nnoeabs.peaks (8.20, 8.38, 118.14 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.98: * H VAL 63 + H THR 65 OK 98 100 100 98 4.0-4.6 6815/4.2=53...(15) H LEU 122 - H THR 65 far 0 87 0 - 9.1-14.7 Violated in 11 structures by 0.10 A. Peak 6836 from nnoeabs.peaks (3.37, 8.38, 118.14 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 63 + H THR 65 OK 100 100 100 100 4.3-4.8 2.9/6835=100...(19) HB2 HIS 67 + H THR 65 OK 73 73 100 100 4.9-6.9 3.8/6845=90, 2102/3.6=61...(10) HB3 TYR 72 - H ASP 35 lone 1 63 40 3 5.8-11.2 HB2 HIS 67 - H ASP 35 far 0 68 0 - 9.3-17.0 Violated in 0 structures by 0.00 A. Peak 6837 from nnoeabs.peaks (7.96, 8.38, 118.14 ppm; 3.23 A): 2 out of 7 assignments used, quality = 0.98: * H ASP 64 + H THR 65 OK 91 100 100 91 2.7-3.0 4.2=45, 3.9/6840=30...(13) H ILE 37 + H ASP 35 OK 74 95 100 78 3.7-4.5 4.4/6387=31...(13) H SER 38 - H ASP 35 far 4 71 5 - 4.4-7.6 H THR 18 - H ASP 35 far 0 89 0 - 7.4-32.4 H SER 51 - H THR 65 far 0 71 0 - 9.4-12.5 H ILE 37 - H THR 65 far 0 99 0 - 9.5-16.7 H VAL 112 - H THR 65 far 0 73 0 - 10.0-18.8 Violated in 0 structures by 0.00 A. Peak 6838 from nnoeabs.peaks (4.46, 8.38, 118.14 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + H THR 65 OK 100 100 100 100 3.5-3.6 3.6=100 HA PRO 58 - H THR 65 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 6839 from nnoeabs.peaks (2.75, 8.38, 118.14 ppm; 3.41 A): 2 out of 7 assignments used, quality = 1.00: HB3 ASP 35 + H ASP 35 OK 96 98 100 98 2.1-3.4 1.8/6383=77, 961/3.0=61...(8) * HB2 ASP 64 + H THR 65 OK 90 100 100 90 2.2-2.9 1.8/6840=52, 2052=46...(9) HB2 TYR 76 - H ASP 35 far 0 95 0 - 5.6-14.5 HB3 ASP 78 - H ASP 35 far 0 90 0 - 6.7-20.9 HB3 ASN 13 - H ASP 35 far 0 78 0 - 7.3-38.1 HB2 CYS 73 - H ASP 35 far 0 97 0 - 9.5-16.4 HB2 ASP 64 - H ASP 35 far 0 98 0 - 9.9-20.6 Violated in 0 structures by 0.00 A. Peak 6840 from nnoeabs.peaks (2.80, 8.38, 118.14 ppm; 4.11 A): 1 out of 4 assignments used, quality = 0.99: * HB3 ASP 64 + H THR 65 OK 99 100 100 99 3.0-3.8 2058=96, 1.8/2052=51...(9) HB3 ASP 71 - H ASP 35 far 5 91 5 - 5.3-13.6 HB2 ASN 13 - H ASP 35 far 0 91 0 - 6.1-37.7 HB3 ASP 71 - H THR 65 far 0 96 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 6841 from nnoeabs.peaks (3.97, 8.38, 118.14 ppm; 3.71 A): 1 out of 13 assignments used, quality = 1.00: * HA THR 65 + H THR 65 OK 100 100 100 100 2.8-2.9 2.9=100 HA3 GLY 17 - H ASP 35 far 9 94 10 - 4.4-31.1 HA2 GLY 17 - H ASP 35 far 5 94 5 - 5.2-30.6 HA GLN 68 - H ASP 35 far 0 71 0 - 5.9-12.9 HB3 SER 107 - H THR 65 far 0 97 0 - 6.9-13.6 HA GLN 68 - H THR 65 far 0 76 0 - 7.2-7.8 HA VAL 20 - H THR 65 far 0 83 0 - 8.5-27.6 HA LEU 100 - H THR 65 far 0 98 0 - 8.6-10.4 HA THR 65 - H ASP 35 far 0 98 0 - 9.1-16.8 HA3 GLY 111 - H THR 65 far 0 71 0 - 9.1-19.8 HB2 SER 106 - H THR 65 far 0 100 0 - 9.4-17.7 HA SER 50 - H THR 65 far 0 68 0 - 9.5-11.9 HA VAL 20 - H ASP 35 far 0 78 0 - 9.6-30.9 Violated in 0 structures by 0.00 A. Peak 6842 from nnoeabs.peaks (4.07, 8.38, 118.14 ppm; 3.62 A): 1 out of 6 assignments used, quality = 0.93: * HB THR 65 + H THR 65 OK 93 100 100 93 2.2-3.3 4.0=72, 6853/3.5=40...(11) HA GLN 104 - H THR 65 far 0 76 0 - 7.1-12.8 HB3 SER 74 - H ASP 35 far 0 97 0 - 7.6-16.8 HB2 SER 74 - H ASP 35 far 0 97 0 - 9.2-17.9 HA LEU 122 - H THR 65 far 0 90 0 - 9.3-13.6 HA GLU 44 - H ASP 35 far 0 84 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 6843 from nnoeabs.peaks (1.23, 8.38, 118.14 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 65 + H THR 65 OK 100 100 100 100 1.9-3.8 4.0=100 QG2 THR 65 - H ASP 35 far 0 98 0 - 9.2-16.1 HG12 ILE 80 - H ASP 35 far 0 82 0 - 9.5-22.3 Violated in 0 structures by 0.00 A. Peak 6844 from nnoeabs.peaks (8.90, 8.38, 118.14 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + H THR 65 OK 100 100 100 100 2.3-2.9 3.5=100 H ASN 59 - H THR 65 far 0 99 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 6845 from nnoeabs.peaks (8.65, 8.38, 118.14 ppm; 5.04 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 67 + H THR 65 OK 100 100 100 100 3.7-4.7 6862=90, 6864/3.5=80...(15) H SER 60 - H THR 65 far 0 97 0 - 7.4-8.2 H SER 50 - H THR 65 far 0 100 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 6846 from nnoeabs.peaks (8.90, 8.90, 110.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 66 + H GLY 66 OK 100 100 - 100 Peak 6847 from nnoeabs.peaks (3.85, 8.90, 110.50 ppm; 5.13 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 62 + H GLY 66 OK 99 100 100 99 3.5-4.4 1970/6853=62...(15) HA LEU 123 - H GLY 66 poor 16 100 25 65 4.3-8.9 1998/9384=18...(12) HB2 SER 50 - H GLY 66 far 0 99 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 6848 from nnoeabs.peaks (3.37, 8.90, 110.50 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 63 + H GLY 66 OK 100 100 100 100 3.2-4.1 2019=74, 11009/10045=41...(27) HB2 HIS 67 + H GLY 66 OK 70 73 100 95 4.6-5.8 3.8/6864=69, 4.4/6877=44...(10) HB3 TYR 72 - H GLY 66 far 0 68 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 6851 from nnoeabs.peaks (8.38, 8.90, 110.50 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H THR 65 + H GLY 66 OK 100 100 100 100 2.3-2.9 3.5=100 H LYS 26 - H GLY 66 far 0 97 0 - 8.6-19.4 H GLN 27 - H GLY 66 far 0 99 0 - 9.0-17.1 Violated in 0 structures by 0.00 A. Peak 6852 from nnoeabs.peaks (3.97, 8.90, 110.50 ppm; 4.66 A): 1 out of 8 assignments used, quality = 1.00: * HA THR 65 + H GLY 66 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 100 - H GLY 66 far 0 98 0 - 6.7-8.8 HA GLN 68 - H GLY 66 far 0 76 0 - 6.7-7.4 HB3 SER 107 - H GLY 66 far 0 97 0 - 7.6-13.1 HA SER 50 - H GLY 66 far 0 68 0 - 7.7-11.1 HA GLN 127 - H GLY 66 far 0 100 0 - 9.2-11.8 HB2 SER 106 - H GLY 66 far 0 100 0 - 9.5-16.2 HA VAL 20 - H GLY 66 far 0 83 0 - 9.6-28.9 Violated in 0 structures by 0.00 A. Peak 6853 from nnoeabs.peaks (4.07, 8.90, 110.50 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.99: * HB THR 65 + H GLY 66 OK 99 100 100 99 2.1-4.0 4.5=86, 6842/3.5=65...(16) HA GLN 104 - H GLY 66 far 0 76 0 - 6.4-12.3 HA LEU 122 - H GLY 66 far 0 90 0 - 6.5-11.2 HA LEU 96 - H GLY 66 far 0 73 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 6854 from nnoeabs.peaks (1.23, 8.90, 110.50 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 65 + H GLY 66 OK 100 100 100 100 1.8-4.0 4.4=100 QG2 THR 54 - H GLY 66 far 0 96 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 6855 from nnoeabs.peaks (3.63, 8.90, 110.50 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HA2 GLY 66 + H GLY 66 OK 100 100 100 100 2.3-2.9 2.9=100 HA3 GLY 66 + H GLY 66 OK 100 100 100 100 2.3-2.8 2.9=100 HD2 PRO 58 - H GLY 66 far 0 97 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 6856 from nnoeabs.peaks (3.63, 8.90, 110.50 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HA3 GLY 66 + H GLY 66 OK 100 100 100 100 2.3-2.8 2.9=100 HA2 GLY 66 + H GLY 66 OK 100 100 100 100 2.3-2.9 2.9=100 HD2 PRO 58 - H GLY 66 far 0 92 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 6857 from nnoeabs.peaks (8.65, 8.90, 110.50 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 67 + H GLY 66 OK 100 100 100 100 2.6-2.9 4.1=100 H SER 50 - H GLY 66 far 0 100 0 - 6.8-10.4 H SER 60 - H GLY 66 far 0 97 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 6859 from nnoeabs.peaks (8.65, 8.65, 120.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H HIS 67 + H HIS 67 OK 100 100 - 100 H HIS 8 + H HIS 8 OK 76 76 - 100 Peak 6860 from nnoeabs.peaks (3.37, 8.65, 120.06 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.98: * HA VAL 63 + H HIS 67 OK 94 100 100 94 3.0-3.7 2019/6864=33...(15) HB2 HIS 67 + H HIS 67 OK 73 73 100 100 2.1-3.2 3.8=100 HB3 TYR 72 - H HIS 67 far 0 68 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 6861 from nnoeabs.peaks (4.46, 8.65, 120.06 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + H HIS 67 OK 100 100 100 100 3.8-4.3 2044=100, 2046/3.8=73...(10) HA SER 106 - H HIS 67 far 0 100 0 - 7.0-14.6 Violated in 0 structures by 0.00 A. Peak 6862 from nnoeabs.peaks (8.38, 8.65, 120.06 ppm; 5.23 A): 1 out of 7 assignments used, quality = 1.00: * H THR 65 + H HIS 67 OK 100 100 100 100 3.7-4.7 6845=100, 3.5/6864=84...(15) H GLN 27 - H HIS 67 far 0 99 0 - 8.4-15.6 H LYS 24 - H HIS 8 far 0 69 0 - 9.2-31.5 H SER 74 - H HIS 8 far 0 42 0 - 9.3-49.0 H LYS 26 - H HIS 67 far 0 97 0 - 9.5-17.6 H LYS 24 - H HIS 67 far 0 97 0 - 9.6-23.8 H SER 74 - H HIS 67 far 0 65 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 6863 from nnoeabs.peaks (3.97, 8.65, 120.06 ppm; 6.31 A): 3 out of 10 assignments used, quality = 1.00: * HA THR 65 + H HIS 67 OK 100 100 100 100 4.1-5.2 3.6/6864=97, 2.9/6845=92...(12) HA LEU 100 + H HIS 67 OK 84 98 90 95 5.9-8.1 4.0/11037=86...(8) HA GLN 68 + H HIS 67 OK 76 76 100 100 5.2-5.5 2.9/6872=100...(11) HB3 SER 107 - H HIS 67 lone 7 97 35 20 6.0-11.4 3266/11037=10, 10106/9460=9 HB3 SER 51 - H HIS 8 far 3 69 5 - 6.5-52.5 HB2 SER 51 - H HIS 8 far 2 40 5 - 7.7-54.0 HB3 SER 106 - H HIS 67 far 0 99 0 - 8.5-15.3 HA VAL 20 - H HIS 8 far 0 56 0 - 8.9-31.0 HB2 SER 106 - H HIS 67 far 0 100 0 - 9.3-15.3 HA SER 50 - H HIS 67 far 0 68 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 6864 from nnoeabs.peaks (8.90, 8.65, 120.06 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.98: * H GLY 66 + H HIS 67 OK 98 100 100 98 2.6-2.9 6857=82, 3.5/6845=35...(14) Violated in 0 structures by 0.00 A. Peak 6865 from nnoeabs.peaks (3.63, 8.65, 120.06 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + H HIS 67 OK 100 100 100 100 2.6-3.6 3.6=100 HA3 GLY 66 + H HIS 67 OK 100 100 100 100 2.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6866 from nnoeabs.peaks (3.63, 8.65, 120.06 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + H HIS 67 OK 100 100 100 100 2.5-3.6 3.6=100 HA2 GLY 66 + H HIS 67 OK 100 100 100 100 2.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6867 from nnoeabs.peaks (4.22, 8.65, 120.06 ppm; 4.06 A): 1 out of 10 assignments used, quality = 1.00: * HA HIS 67 + H HIS 67 OK 100 100 100 100 2.7-2.9 2.9=100 HA GLN 27 - H HIS 67 far 0 68 0 - 6.2-17.2 HA ALA 29 - H HIS 67 far 0 97 0 - 6.3-13.0 HA ALA 28 - H HIS 67 far 0 83 0 - 6.6-14.7 HA GLU 30 - H HIS 67 far 0 99 0 - 6.8-13.8 HA SER 51 - H HIS 8 far 0 76 0 - 8.1-54.2 HA VAL 105 - H HIS 67 far 0 65 0 - 8.8-13.2 HA ALA 34 - H HIS 67 far 0 99 0 - 8.9-17.5 HB THR 25 - H HIS 67 far 0 90 0 - 9.0-20.2 HA ALA 34 - H HIS 8 far 0 73 0 - 9.4-44.4 Violated in 0 structures by 0.00 A. Peak 6868 from nnoeabs.peaks (3.34, 8.65, 120.06 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HB2 HIS 67 + H HIS 67 OK 100 100 100 100 2.1-3.2 3.8=100 HA VAL 63 + H HIS 67 OK 63 73 100 86 3.0-3.7 4.9/2044=30...(13) HB3 TYR 72 - H HIS 67 far 0 100 0 - 9.0-11.4 HB3 CYS 73 - H HIS 67 far 0 81 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 6869 from nnoeabs.peaks (3.41, 8.65, 120.06 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + H HIS 67 OK 100 100 100 100 2.1-3.6 3.8=100 HA VAL 126 - H HIS 67 far 0 63 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 6870 from nnoeabs.peaks (7.15, 8.65, 120.06 ppm; 4.64 A): 1 out of 4 assignments used, quality = 0.99: * HD2 HIS 67 + H HIS 67 OK 99 100 100 99 4.1-5.2 2096/2.9=78...(10) QD TYR 72 - H HIS 67 far 0 100 0 - 8.0-8.6 QD TYR 72 - H HIS 8 far 0 75 0 - 8.5-39.6 HE22 GLN 134 - H HIS 8 far 0 56 0 - 9.4-63.2 Violated in 16 structures by 0.18 A. Peak 6872 from nnoeabs.peaks (7.86, 8.65, 120.06 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 68 + H HIS 67 OK 100 100 100 100 2.6-3.0 6880=95, 6883/3.8=36...(18) H GLU 102 - H HIS 67 far 0 95 0 - 8.6-11.0 H ALA 41 - H HIS 8 far 0 42 0 - 8.8-49.8 Violated in 0 structures by 0.00 A. Peak 6873 from nnoeabs.peaks (8.30, 8.65, 120.06 ppm; 5.47 A): 1 out of 9 assignments used, quality = 1.00: * H LEU 69 + H HIS 67 OK 100 100 100 100 4.0-4.7 6915=100, 6916/2.9=92...(15) H LEU 49 - H HIS 67 far 0 100 0 - 7.6-11.6 H TYR 72 - H HIS 67 far 0 76 0 - 7.7-8.5 H VAL 126 - H HIS 67 far 0 99 0 - 7.8-11.1 H ALA 28 - H HIS 67 far 0 63 0 - 8.7-15.1 H ALA 110 - H HIS 67 far 0 100 0 - 9.6-19.1 H SER 99 - H HIS 67 far 0 99 0 - 9.8-11.4 H GLU 40 - H HIS 8 far 0 59 0 - 9.8-52.2 H ALA 21 - H HIS 8 far 0 71 0 - 9.9-30.1 Violated in 0 structures by 0.00 A. Peak 6874 from nnoeabs.peaks (7.86, 7.86, 121.44 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLN 68 + H GLN 68 OK 100 100 - 100 H ALA 88 + H ALA 88 OK 79 79 - 100 Peak 6875 from nnoeabs.peaks (4.46, 7.86, 121.44 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.99: * HA ASP 64 + H GLN 68 OK 99 100 100 99 3.8-4.5 2044/6872=72...(5) HA SER 106 - H GLN 68 far 0 100 0 - 6.7-17.4 Violated in 0 structures by 0.00 A. Peak 6876 from nnoeabs.peaks (3.97, 7.86, 121.44 ppm; 3.93 A): 2 out of 8 assignments used, quality = 0.99: * HA THR 65 + H GLN 68 OK 97 100 100 97 3.6-4.1 2064=45, 2140/3.7=38...(17) HA GLN 68 + H GLN 68 OK 76 76 100 100 2.7-2.8 2.9=100 HB3 SER 107 - H GLN 68 far 0 97 0 - 5.6-13.7 HA GLU 91 - H ALA 88 far 0 75 0 - 7.1-7.6 HB3 SER 106 - H GLN 68 far 0 99 0 - 7.5-17.6 HA LEU 100 - H GLN 68 far 0 98 0 - 8.6-10.3 HB2 SER 106 - H GLN 68 far 0 100 0 - 8.6-18.0 HB3 SER 94 - H ALA 88 far 0 80 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 6877 from nnoeabs.peaks (8.90, 7.86, 121.44 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.99: * H GLY 66 + H GLN 68 OK 99 100 100 99 4.0-4.8 6864/6872=83...(10) H THR 83 - H ALA 88 far 0 62 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 6878 from nnoeabs.peaks (3.63, 7.86, 121.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + H GLN 68 OK 100 100 100 100 4.3-5.2 3.6/6872=100...(12) HA3 GLY 66 + H GLN 68 OK 100 100 100 100 4.6-5.3 3.6/6872=100...(13) Violated in 0 structures by 0.00 A. Peak 6879 from nnoeabs.peaks (3.63, 7.86, 121.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + H GLN 68 OK 100 100 100 100 4.6-5.3 3.6/6872=100...(13) HA2 GLY 66 + H GLN 68 OK 100 100 100 100 4.3-5.2 3.6/6872=100...(12) Violated in 0 structures by 0.00 A. Peak 6880 from nnoeabs.peaks (8.65, 7.86, 121.44 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 67 + H GLN 68 OK 100 100 100 100 2.6-3.0 6872=100, 3.8/6883=38...(18) H SER 50 - H GLN 68 far 0 100 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 6881 from nnoeabs.peaks (4.22, 7.86, 121.44 ppm; 3.93 A): 2 out of 10 assignments used, quality = 1.00: * HA HIS 67 + H GLN 68 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 88 + H ALA 88 OK 70 70 100 100 2.8-2.9 2.9=100 HA GLU 30 - H GLN 68 far 5 99 5 - 4.9-13.0 HA ALA 29 - H GLN 68 far 5 97 5 - 5.3-12.7 HA ALA 34 - H GLN 68 far 0 99 0 - 6.1-14.7 HA GLN 27 - H GLN 68 far 0 68 0 - 6.6-16.4 HA ALA 28 - H GLN 68 far 0 83 0 - 7.2-15.0 HB THR 25 - H GLN 68 far 0 90 0 - 8.9-21.3 HA GLU 128 - H ALA 88 far 0 58 0 - 9.3-12.4 HB3 SER 38 - H GLN 68 far 0 100 0 - 10.0-16.7 Violated in 0 structures by 0.00 A. Peak 6882 from nnoeabs.peaks (3.34, 7.86, 121.44 ppm; 4.03 A): 3 out of 6 assignments used, quality = 1.00: * HB2 HIS 67 + H GLN 68 OK 99 100 100 99 2.2-4.0 4.4=75, 1.8/6883=72...(13) HB3 PHE 89 + H ALA 88 OK 72 76 100 94 4.5-5.0 3.5/7193=56, 4.7/7185=31...(13) HB2 PHE 89 + H ALA 88 OK 41 44 100 94 4.6-5.3 3.5/7193=56, 4.7/7185=31...(11) HA VAL 63 - H GLN 68 far 0 73 0 - 5.7-6.4 HB3 TYR 72 - H GLN 68 far 0 100 0 - 7.5-9.3 HB3 CYS 73 - H GLN 68 far 0 81 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 6883 from nnoeabs.peaks (3.41, 7.86, 121.44 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.98: * HB3 HIS 67 + H GLN 68 OK 98 100 100 98 2.2-3.8 4.4=83, 3.8/6872=60...(9) HA VAL 126 - H GLN 68 far 0 63 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 6886 from nnoeabs.peaks (3.99, 7.86, 121.44 ppm; 3.94 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 68 + H GLN 68 OK 100 100 100 100 2.7-2.8 2.9=100 HA THR 65 + H GLN 68 OK 72 76 100 95 3.6-4.1 3.6/6877=35, 2064=30...(16) HA GLU 91 - H ALA 88 far 0 72 0 - 7.1-7.6 HA ILE 37 - H GLN 68 far 0 65 0 - 7.5-13.4 HB3 SER 106 - H GLN 68 far 0 92 0 - 7.5-17.6 HB2 SER 106 - H GLN 68 far 0 65 0 - 8.6-18.0 HA SER 60 - H GLN 68 far 0 90 0 - 9.4-10.5 HB3 SER 94 - H ALA 88 far 0 58 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 6887 from nnoeabs.peaks (2.22, 7.86, 121.44 ppm; 3.67 A): 2 out of 11 assignments used, quality = 1.00: * HB2 GLN 68 + H GLN 68 OK 100 100 100 100 2.1-2.6 3.7=94, 3.0/6890=55...(19) HG2 GLN 68 + H GLN 68 OK 95 96 100 100 2.4-3.6 2150=76, 1.8/6890=71...(17) HG2 GLU 91 - H ALA 88 far 0 77 0 - 5.6-7.8 HB2 GLN 104 - H GLN 68 far 0 57 0 - 6.1-10.6 HB3 GLN 104 - H GLN 68 far 0 100 0 - 6.1-11.5 HB2 GLN 82 - H ALA 88 far 0 65 0 - 7.9-9.7 HB3 LEU 96 - H GLN 68 far 0 89 0 - 8.3-11.8 HB VAL 133 - H ALA 88 far 0 42 0 - 8.6-10.9 HB3 GLU 128 - H ALA 88 far 0 79 0 - 8.7-12.3 HB2 GLN 101 - H GLN 68 far 0 95 0 - 9.0-11.9 HB3 GLU 97 - H GLN 68 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 6888 from nnoeabs.peaks (2.18, 7.86, 121.44 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLN 68 + H GLN 68 OK 100 100 100 100 3.3-3.6 3.7=100 HB3 LEU 69 + H GLN 68 OK 25 95 30 88 4.4-6.4 3.7/6893=49, 4.4/6894=30...(12) HB2 GLN 104 - H GLN 68 far 0 97 0 - 6.1-10.6 HB2 GLN 82 - H ALA 88 far 0 52 0 - 7.9-9.7 HB VAL 133 - H ALA 88 far 0 73 0 - 8.6-10.9 HB2 GLN 101 - H GLN 68 far 0 63 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 6889 from nnoeabs.peaks (2.23, 7.86, 121.44 ppm; 3.63 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLN 68 + H GLN 68 OK 100 100 100 100 2.4-3.6 2150=79, 1.8/6890=70...(17) HB2 GLN 68 + H GLN 68 OK 95 96 100 100 2.1-2.6 3.7=91, 3.0/6890=53...(17) HG2 GLU 91 - H ALA 88 far 0 80 0 - 5.6-7.8 HB3 GLN 104 - H GLN 68 far 0 98 0 - 6.1-11.5 HB2 GLN 82 - H ALA 88 far 0 42 0 - 7.9-9.7 HB3 LEU 96 - H GLN 68 far 0 100 0 - 8.3-11.8 HB3 GLU 128 - H ALA 88 far 0 79 0 - 8.7-12.3 HB2 GLN 101 - H GLN 68 far 0 71 0 - 9.0-11.9 HB3 GLU 97 - H GLN 68 far 0 92 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 6890 from nnoeabs.peaks (2.32, 7.86, 121.44 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 68 + H GLN 68 OK 100 100 100 100 2.2-4.4 2159=87, 1.8/2150=69...(15) HG3 GLU 30 - H GLN 68 far 0 99 0 - 6.7-15.7 HB VAL 77 - H ALA 88 far 0 74 0 - 8.1-10.5 HG2 GLN 27 - H GLN 68 far 0 60 0 - 8.8-17.6 HB3 GLN 101 - H GLN 68 far 0 76 0 - 8.9-12.8 Violated in 14 structures by 0.28 A. Peak 6893 from nnoeabs.peaks (8.30, 7.86, 121.44 ppm; 3.74 A): 1 out of 6 assignments used, quality = 0.99: * H LEU 69 + H GLN 68 OK 99 100 100 99 2.6-3.2 6917=83, 6916/3.6=45...(16) H TYR 72 - H GLN 68 far 0 76 0 - 6.2-6.6 H LEU 49 - H GLN 68 far 0 100 0 - 7.9-11.8 H ALA 28 - H GLN 68 far 0 63 0 - 9.1-15.0 H VAL 126 - H GLN 68 far 0 99 0 - 9.3-12.4 H ASP 131 - H ALA 88 far 0 44 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 6894 from nnoeabs.peaks (8.46, 7.86, 121.44 ppm; 4.87 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + H GLN 68 OK 100 100 100 100 3.9-4.4 6937=89, 6938/2.9=78...(20) H VAL 132 - H ALA 88 far 0 78 0 - 7.8-9.4 H LEU 100 - H GLN 68 far 0 78 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 6895 from nnoeabs.peaks (6.86, 6.86, 112.26 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE21 GLN 68 + HE21 GLN 68 OK 100 100 - 100 HE21 GLN 27 + HE21 GLN 27 OK 67 67 - 100 HD21 ASN 121 + HD21 ASN 121 OK 38 38 - 100 Peak 6896 from nnoeabs.peaks (7.86, 6.86, 112.26 ppm; 4.31 A): 1 out of 7 assignments used, quality = 0.99: * H GLN 68 + HE21 GLN 68 OK 99 100 100 99 2.6-4.8 6890/3.5=65, 2150/3.5=62...(16) H GLU 102 - HE21 GLN 27 far 3 62 5 - 5.5-28.3 H ALA 41 - HE21 GLN 27 far 2 39 5 - 3.6-25.8 H GLU 102 - HD21 ASN 121 far 0 45 0 - 5.9-13.6 H GLN 68 - HE21 GLN 27 far 0 70 0 - 8.6-18.6 H GLU 128 - HD21 ASN 121 far 0 36 0 - 9.1-13.9 H ALA 41 - HE21 GLN 68 far 0 65 0 - 9.2-14.2 Violated in 9 structures by 0.11 A. Peak 6897 from nnoeabs.peaks (3.99, 6.86, 112.26 ppm; 5.08 A): 2 out of 28 assignments used, quality = 1.00: * HA GLN 68 + HE21 GLN 68 OK 100 100 100 100 1.8-5.5 5.2=92, 2123/3.5=85...(21) HA THR 65 + HE21 GLN 68 OK 75 76 100 99 2.0-6.5 11023/3.5=42...(15) HB3 SER 99 - HD21 ASN 121 poor 18 46 95 41 2.4-8.2 3837/4.5=20...(6) HA LYS 95 - HD21 ASN 121 poor 13 29 45 - 4.2-11.4 HB2 SER 124 - HD21 ASN 121 far 8 52 15 - 5.8-9.1 HA ILE 37 - HE21 GLN 68 far 7 65 10 - 5.9-12.7 HB3 SER 51 - HE21 GLN 27 far 6 63 10 - 1.9-32.7 HA SER 60 - HE21 GLN 27 far 6 58 10 - 1.8-24.4 HB3 SER 106 - HE21 GLN 27 far 3 59 5 - 5.4-31.2 HB2 SER 38 - HE21 GLN 27 far 2 50 5 - 5.3-25.1 HB3 SER 94 - HE21 GLN 27 far 2 50 5 - 6.1-32.0 HA LYS 95 - HE21 GLN 27 far 2 41 5 - 6.1-30.4 HB2 SER 106 - HE21 GLN 27 far 0 39 0 - 6.8-30.9 HA VAL 20 - HE21 GLN 27 far 0 70 0 - 7.0-20.3 HA VAL 20 - HE21 GLN 68 far 0 100 0 - 7.1-24.8 HA SER 50 - HE21 GLN 27 far 0 70 0 - 7.6-30.9 HA THR 65 - HE21 GLN 27 far 0 46 0 - 8.0-21.6 HA LEU 103 - HD21 ASN 121 far 0 33 0 - 8.1-13.9 HA LEU 103 - HE21 GLN 27 far 0 46 0 - 8.2-29.4 HB3 SER 94 - HD21 ASN 121 far 0 36 0 - 8.3-16.1 HA GLU 91 - HE21 GLN 27 far 0 62 0 - 8.8-32.3 HA GLN 127 - HE21 GLN 68 far 0 73 0 - 8.8-14.6 HA GLN 127 - HE21 GLN 27 far 0 44 0 - 8.9-27.8 HB3 SER 106 - HE21 GLN 68 far 0 92 0 - 9.0-21.8 HA SER 60 - HE21 GLN 68 far 0 90 0 - 9.2-13.0 HA SER 50 - HE21 GLN 68 far 0 100 0 - 9.4-16.1 HA ILE 37 - HE21 GLN 27 far 0 39 0 - 9.6-22.3 HB3 SER 99 - HE21 GLN 27 far 0 63 0 - 9.8-27.1 Violated in 0 structures by 0.00 A. Peak 6898 from nnoeabs.peaks (2.22, 6.86, 112.26 ppm; 4.23 A): 2 out of 21 assignments used, quality = 1.00: * HB2 GLN 68 + HE21 GLN 68 OK 100 100 100 100 1.8-3.8 4.6=78, 3.7/6896=51...(19) HG2 GLN 68 + HE21 GLN 68 OK 96 96 100 100 2.1-3.6 3.5=100 HB3 GLU 97 - HE21 GLN 27 far 3 70 5 - 4.5-29.1 HB2 GLN 101 - HE21 GLN 27 far 3 62 5 - 3.8-29.0 HB3 LEU 96 - HD21 ASN 121 far 2 41 5 - 4.4-13.2 HB2 GLN 104 - HE21 GLN 27 far 2 33 5 - 5.6-26.6 HB3 GLU 97 - HD21 ASN 121 far 0 52 0 - 6.3-14.1 HB3 GLN 104 - HD21 ASN 121 far 0 52 0 - 6.5-19.6 HB2 GLN 104 - HE21 GLN 68 far 0 57 0 - 6.9-14.4 HB3 GLN 104 - HE21 GLN 27 far 0 70 0 - 7.1-27.7 HB2 GLN 101 - HD21 ASN 121 far 0 45 0 - 7.6-15.9 HB3 GLU 102 - HD21 ASN 121 far 0 48 0 - 7.7-13.3 HB3 GLU 102 - HE21 GLN 27 far 0 65 0 - 7.7-30.2 HB2 GLN 104 - HD21 ASN 121 far 0 24 0 - 7.8-18.3 HG2 GLU 91 - HD21 ASN 121 far 0 49 0 - 8.4-20.0 HB3 GLN 104 - HE21 GLN 68 far 0 100 0 - 8.6-15.2 HB3 GLN 127 - HE21 GLN 68 far 0 99 0 - 8.9-16.4 HB2 GLN 68 - HE21 GLN 27 far 0 70 0 - 9.1-18.7 HB3 GLU 128 - HD21 ASN 121 far 0 51 0 - 9.2-14.1 HB3 LEU 96 - HE21 GLN 68 far 0 89 0 - 9.4-15.2 HB3 LEU 96 - HE21 GLN 27 far 0 56 0 - 9.9-25.6 Violated in 0 structures by 0.00 A. Peak 6899 from nnoeabs.peaks (2.18, 6.86, 112.26 ppm; 6.24 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLN 68 + HE21 GLN 68 OK 100 100 100 100 1.8-4.5 4.6=100 HB3 LEU 69 + HE21 GLN 68 OK 94 95 100 100 3.4-7.4 3.7/6923=64, ~11022=47...(17) HB2 GLN 104 - HE21 GLN 27 far 6 64 10 - 5.6-26.6 HB2 GLN 104 - HE21 GLN 68 far 5 97 5 - 6.9-14.4 HB2 GLN 101 - HE21 GLN 27 far 2 37 5 - 3.8-29.0 HB2 GLN 101 - HD21 ASN 121 far 1 26 5 - 7.6-15.9 HB2 GLN 104 - HD21 ASN 121 far 0 47 0 - 7.8-18.3 HB3 GLN 68 - HE21 GLN 27 far 0 70 0 - 8.8-18.9 Violated in 0 structures by 0.00 A. Peak 6900 from nnoeabs.peaks (2.23, 6.86, 112.26 ppm; 4.20 A): 2 out of 18 assignments used, quality = 1.00: * HG2 GLN 68 + HE21 GLN 68 OK 100 100 100 100 2.1-3.6 3.5=100 HB2 GLN 68 + HE21 GLN 68 OK 95 96 100 100 1.8-3.8 4.6=77, 3.7/6896=51...(18) HB3 GLU 97 - HE21 GLN 27 far 3 59 5 - 4.5-29.1 HB3 LEU 96 - HD21 ASN 121 far 3 51 5 - 4.4-13.2 HB2 GLN 101 - HE21 GLN 27 far 2 42 5 - 3.8-29.0 HB3 GLU 97 - HD21 ASN 121 far 0 43 0 - 6.3-14.1 HB3 GLN 104 - HD21 ASN 121 far 0 49 0 - 6.5-19.6 HB3 GLN 104 - HE21 GLN 27 far 0 66 0 - 7.1-27.7 HB2 GLN 101 - HD21 ASN 121 far 0 30 0 - 7.6-15.9 HB3 GLU 102 - HD21 ASN 121 far 0 52 0 - 7.7-13.3 HB3 GLU 102 - HE21 GLN 27 far 0 70 0 - 7.7-30.2 HG2 GLU 91 - HD21 ASN 121 far 0 52 0 - 8.4-20.0 HB3 GLN 104 - HE21 GLN 68 far 0 98 0 - 8.6-15.2 HB3 GLN 127 - HE21 GLN 68 far 0 100 0 - 8.9-16.4 HB2 GLN 68 - HE21 GLN 27 far 0 63 0 - 9.1-18.7 HB3 GLU 128 - HD21 ASN 121 far 0 51 0 - 9.2-14.1 HB3 LEU 96 - HE21 GLN 68 far 0 100 0 - 9.4-15.2 HB3 LEU 96 - HE21 GLN 27 far 0 69 0 - 9.9-25.6 Violated in 0 structures by 0.00 A. Peak 6901 from nnoeabs.peaks (2.32, 6.86, 112.26 ppm; 3.60 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLN 68 + HE21 GLN 68 OK 100 100 100 100 2.3-3.6 3.5=100 HG2 GLN 27 + HE21 GLN 27 OK 35 35 100 100 2.5-4.1 3.5=100 HG3 GLU 30 - HE21 GLN 68 far 5 99 5 - 4.3-18.4 HG3 GLU 30 - HE21 GLN 27 far 3 67 5 - 4.7-12.8 HG2 GLU 40 - HE21 GLN 27 far 3 66 5 - 2.4-27.6 HB3 GLN 101 - HE21 GLN 27 far 2 46 5 - 2.2-29.2 HG2 GLU 44 - HE21 GLN 27 far 0 61 0 - 5.3-29.5 HB3 GLN 101 - HD21 ASN 121 far 0 33 0 - 5.9-14.4 HB3 GLN 134 - HE21 GLN 27 far 0 69 0 - 6.4-32.6 HG2 GLU 44 - HE21 GLN 68 far 0 93 0 - 7.4-16.5 HG2 GLN 27 - HE21 GLN 68 far 0 60 0 - 8.1-18.2 HG3 GLN 68 - HE21 GLN 27 far 0 70 0 - 9.0-19.9 Violated in 0 structures by 0.00 A. Peak 6902 from nnoeabs.peaks (7.76, 6.86, 112.26 ppm; 2.69 A): 2 out of 7 assignments used, quality = 1.00: * HE22 GLN 68 + HE21 GLN 68 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 121 + HD21 ASN 121 OK 37 37 100 100 1.7-1.7 1.7=100 H VAL 118 - HD21 ASN 121 poor 13 51 25 - 3.5-8.1 H LEU 98 - HD21 ASN 121 far 0 32 0 - 5.4-12.0 H LEU 98 - HE21 GLN 27 far 0 44 0 - 5.5-29.1 H GLU 55 - HE21 GLN 27 far 0 67 0 - 8.5-34.9 HE22 GLN 68 - HE21 GLN 27 far 0 70 0 - 8.9-22.1 Violated in 0 structures by 0.00 A. Peak 6903 from nnoeabs.peaks (7.76, 7.76, 112.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 68 + HE22 GLN 68 OK 100 100 - 100 Peak 6904 from nnoeabs.peaks (7.86, 7.76, 112.26 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HE22 GLN 68 OK 100 100 100 100 3.7-6.2 6.7=100 H ALA 41 - HE22 GLN 68 far 3 65 5 - 8.0-14.2 Violated in 0 structures by 0.00 A. Peak 6905 from nnoeabs.peaks (3.99, 7.76, 112.26 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 68 + HE22 GLN 68 OK 100 100 100 100 3.5-6.4 5.2=100 HA THR 65 + HE22 GLN 68 OK 76 76 100 100 2.4-7.4 ~11016=65, 2140/4.6=64...(14) HA ILE 37 - HE22 GLN 68 poor 16 65 25 - 5.8-13.3 HA VAL 20 - HE22 GLN 68 far 5 100 5 - 6.4-26.2 HA SER 60 - HE22 GLN 68 far 5 90 5 - 8.3-13.8 HB2 SER 38 - HE22 GLN 68 far 0 81 0 - 9.5-17.4 HA SER 50 - HE22 GLN 68 far 0 100 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 6906 from nnoeabs.peaks (2.22, 7.76, 112.26 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 68 + HE22 GLN 68 OK 100 100 100 100 3.3-4.9 4.6=100 HG2 GLN 68 + HE22 GLN 68 OK 96 96 100 100 3.4-4.1 3.5=100 HB2 GLN 104 - HE22 GLN 68 far 3 57 5 - 7.6-15.0 HB3 GLN 104 - HE22 GLN 68 far 0 100 0 - 9.3-15.7 HB3 GLN 127 - HE22 GLN 68 far 0 99 0 - 9.9-17.2 Violated in 0 structures by 0.00 A. Peak 6907 from nnoeabs.peaks (2.18, 7.76, 112.26 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 68 + HE22 GLN 68 OK 100 100 100 100 3.2-5.0 4.6=100 HB3 LEU 69 + HE22 GLN 68 OK 94 95 100 100 5.0-8.1 ~11022=54, ~11049=46...(13) HB2 GLN 104 - HE22 GLN 68 far 5 97 5 - 7.6-15.0 Violated in 0 structures by 0.00 A. Peak 6908 from nnoeabs.peaks (2.23, 7.76, 112.26 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 68 + HE22 GLN 68 OK 100 100 100 100 3.4-4.1 3.5=100 HB2 GLN 68 + HE22 GLN 68 OK 96 96 100 100 3.3-4.9 4.6=100 HB3 GLN 104 - HE22 GLN 68 far 0 98 0 - 9.3-15.7 HB3 GLN 127 - HE22 GLN 68 far 0 100 0 - 9.9-17.2 Violated in 0 structures by 0.00 A. Peak 6909 from nnoeabs.peaks (2.32, 7.76, 112.26 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 68 + HE22 GLN 68 OK 100 100 100 100 3.5-4.1 3.5=100 HG2 GLU 44 - HE22 GLN 68 poor 19 93 20 - 7.0-16.3 HG2 GLN 27 - HE22 GLN 68 far 9 60 15 - 7.2-19.6 HG3 GLU 30 - HE22 GLN 68 lone 1 99 40 3 4.0-19.1 HG2 GLU 40 - HE22 GLN 68 far 0 98 0 - 9.2-17.6 Violated in 0 structures by 0.00 A. Peak 6910 from nnoeabs.peaks (6.86, 7.76, 112.26 ppm; 3.02 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 68 + HE22 GLN 68 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 61 - HE22 GLN 68 far 0 78 0 - 7.7-16.4 HE21 GLN 27 - HE22 GLN 68 far 0 99 0 - 8.9-22.1 Violated in 0 structures by 0.00 A. Peak 6911 from nnoeabs.peaks (8.30, 8.30, 120.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 69 + H LEU 69 OK 100 100 - 100 Peak 6912 from nnoeabs.peaks (3.97, 8.30, 120.25 ppm; 6.08 A): 2 out of 8 assignments used, quality = 1.00: * HA THR 65 + H LEU 69 OK 100 100 100 100 3.6-4.5 2064/6893=79...(16) HA GLN 68 + H LEU 69 OK 76 76 100 100 3.5-3.6 3.6=100 HB3 SER 107 - H LEU 69 far 5 97 5 - 7.4-15.5 HA GLN 127 - H LEU 69 far 0 100 0 - 8.5-11.3 HA2 GLY 17 - H LEU 69 far 0 98 0 - 9.2-31.8 HA LEU 100 - H LEU 69 far 0 98 0 - 9.5-11.3 HA SER 50 - H LEU 69 far 0 68 0 - 9.5-12.5 HB3 SER 106 - H LEU 69 far 0 99 0 - 9.8-19.0 Violated in 0 structures by 0.00 A. Peak 6913 from nnoeabs.peaks (3.63, 8.30, 120.25 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + H LEU 69 OK 100 100 100 100 3.4-4.7 4.9/6916=90, 3.6/6915=89...(16) HA3 GLY 66 + H LEU 69 OK 100 100 100 100 3.6-5.6 4.9/6916=90, 3.6/6915=89...(16) Violated in 0 structures by 0.00 A. Peak 6914 from nnoeabs.peaks (3.63, 8.30, 120.25 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + H LEU 69 OK 100 100 100 100 3.6-5.6 4.9/6916=90, 3.6/6915=89...(16) HA2 GLY 66 + H LEU 69 OK 100 100 100 100 3.4-4.7 4.9/6916=90, 3.6/6915=89...(16) Violated in 0 structures by 0.00 A. Peak 6915 from nnoeabs.peaks (8.65, 8.30, 120.25 ppm; 5.37 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 67 + H LEU 69 OK 100 100 100 100 4.0-4.7 6873=95, 2.9/6916=90...(15) H SER 50 - H LEU 69 far 0 100 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 6916 from nnoeabs.peaks (4.22, 8.30, 120.25 ppm; 4.05 A): 1 out of 7 assignments used, quality = 0.98: * HA HIS 67 + H LEU 69 OK 98 100 100 98 4.4-5.1 3.6/6893=57, 6936/3.6=48...(13) HA ALA 29 - H LEU 69 far 5 97 5 - 4.9-13.1 HA ALA 34 - H LEU 69 far 0 99 0 - 6.0-13.7 HA GLU 30 - H LEU 69 far 0 99 0 - 6.1-13.5 HA GLN 27 - H LEU 69 far 0 68 0 - 8.4-15.7 HA ALA 28 - H LEU 69 far 0 83 0 - 8.9-15.1 HB3 SER 38 - H LEU 69 far 0 100 0 - 9.0-14.7 Violated in 20 structures by 0.60 A. Peak 6917 from nnoeabs.peaks (7.86, 8.30, 120.25 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + H LEU 69 OK 100 100 100 100 2.6-3.2 6893=100, 3.6/6916=51...(16) H ALA 41 - H LEU 69 far 0 65 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 6918 from nnoeabs.peaks (3.99, 8.30, 120.25 ppm; 5.53 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 68 + H LEU 69 OK 100 100 100 100 3.5-3.6 3.6=100 HA THR 65 + H LEU 69 OK 75 76 100 99 3.6-4.5 3.2/11068=60...(16) HA ILE 37 - H LEU 69 far 10 65 15 - 5.7-12.0 HA GLN 127 - H LEU 69 far 0 73 0 - 8.5-11.3 HB2 SER 38 - H LEU 69 far 0 81 0 - 9.5-15.1 HA SER 50 - H LEU 69 far 0 100 0 - 9.5-12.5 HB3 SER 106 - H LEU 69 far 0 92 0 - 9.8-19.0 Violated in 0 structures by 0.00 A. Peak 6919 from nnoeabs.peaks (2.22, 8.30, 120.25 ppm; 4.50 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLN 68 + H LEU 69 OK 100 100 100 100 2.4-4.0 4.4=100 HG2 GLN 68 + H LEU 69 OK 96 96 100 100 1.7-4.8 1.8/6922=73, 2158=69...(24) HB3 LEU 96 - H LEU 69 far 0 89 0 - 7.1-10.3 HB3 GLN 104 - H LEU 69 far 0 100 0 - 7.9-13.9 HB2 GLN 104 - H LEU 69 far 0 57 0 - 8.1-12.9 HB2 GLN 101 - H LEU 69 far 0 95 0 - 9.4-12.3 HB3 GLN 127 - H LEU 69 far 0 99 0 - 9.5-13.5 HB3 GLU 97 - H LEU 69 far 0 100 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 6920 from nnoeabs.peaks (2.18, 8.30, 120.25 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 68 + H LEU 69 OK 100 100 100 100 2.4-4.1 4.4=94, 3.7/6893=62...(23) HB3 LEU 69 + H LEU 69 OK 95 95 100 100 2.0-3.6 3.7=100 HB2 GLN 104 - H LEU 69 far 0 97 0 - 8.1-12.9 HB2 GLN 101 - H LEU 69 far 0 63 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 6921 from nnoeabs.peaks (2.23, 8.30, 120.25 ppm; 4.36 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 68 + H LEU 69 OK 100 100 100 100 1.7-4.8 1.8/6922=69, 2158=67...(24) HB2 GLN 68 + H LEU 69 OK 96 96 100 100 2.4-4.0 4.4=95, 3.7/6893=63...(22) HB3 LEU 96 - H LEU 69 far 0 100 0 - 7.1-10.3 HB3 GLN 104 - H LEU 69 far 0 98 0 - 7.9-13.9 HB2 GLN 101 - H LEU 69 far 0 71 0 - 9.4-12.3 HB3 GLN 127 - H LEU 69 far 0 100 0 - 9.5-13.5 HB3 GLU 97 - H LEU 69 far 0 92 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 6922 from nnoeabs.peaks (2.32, 8.30, 120.25 ppm; 4.70 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + H LEU 69 OK 100 100 100 100 2.3-4.9 2123/3.6=76...(21) HG3 GLU 30 - H LEU 69 far 0 99 0 - 7.1-15.1 HG2 GLU 44 - H LEU 69 far 0 93 0 - 8.6-13.7 HB3 GLN 101 - H LEU 69 far 0 76 0 - 9.6-13.5 Violated in 3 structures by 0.03 A. Peak 6923 from nnoeabs.peaks (6.86, 8.30, 120.25 ppm; 6.51 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 68 + H LEU 69 OK 100 100 100 100 2.9-5.3 6896/6893=94...(14) Violated in 0 structures by 0.00 A. Peak 6925 from nnoeabs.peaks (4.33, 8.30, 120.25 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 69 + H LEU 69 OK 100 100 100 100 2.8-2.9 2.9=100 HA LYS 24 - H LEU 69 far 0 100 0 - 8.1-21.2 HA ASP 47 - H LEU 69 far 0 96 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 6926 from nnoeabs.peaks (1.67, 8.30, 120.25 ppm; 3.87 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 69 + H LEU 69 OK 100 100 100 100 2.1-3.6 3.7=100 HD3 LYS 36 - H LEU 69 far 5 100 5 - 4.3-11.5 HD2 LYS 31 - H LEU 69 far 5 99 5 - 5.3-16.9 HD2 LYS 36 - H LEU 69 far 0 100 0 - 5.4-11.1 HD3 LYS 31 - H LEU 69 far 0 98 0 - 7.0-15.7 HD3 LYS 24 - H LEU 69 far 0 98 0 - 9.1-22.7 HB2 LEU 123 - H LEU 69 far 0 85 0 - 9.1-13.7 HD3 LYS 26 - H LEU 69 far 0 97 0 - 9.1-21.8 HG LEU 62 - H LEU 69 far 0 81 0 - 9.3-11.2 HD2 LYS 26 - H LEU 69 far 0 98 0 - 9.4-22.4 HD2 LYS 24 - H LEU 69 far 0 99 0 - 9.7-23.2 Violated in 0 structures by 0.00 A. Peak 6927 from nnoeabs.peaks (2.16, 8.30, 120.25 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 69 + H LEU 69 OK 100 100 100 100 2.0-3.6 3.7=100 HB3 GLN 68 + H LEU 69 OK 94 95 100 100 2.4-4.1 4.4=87, 3.7/6893=59...(22) HB2 GLN 104 - H LEU 69 far 0 73 0 - 8.1-12.9 HB2 GLU 97 - H LEU 69 far 0 65 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 6928 from nnoeabs.peaks (1.51, 8.30, 120.25 ppm; 4.99 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 69 + H LEU 69 OK 100 100 100 100 2.2-4.6 5.2=90, 6943/3.6=65...(15) HB2 LEU 49 + H LEU 69 OK 36 89 45 90 4.9-8.3 3.2/11056=41...(12) HG LEU 42 - H LEU 69 far 0 63 0 - 6.7-9.9 HB2 LEU 53 - H LEU 69 far 0 99 0 - 9.3-15.7 Violated in 0 structures by 0.00 A. Peak 6929 from nnoeabs.peaks (1.01, 8.30, 120.25 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + H LEU 69 OK 100 100 100 100 2.9-4.3 4.3=100 QG2 VAL 118 - H LEU 69 far 0 100 0 - 9.9-15.7 Violated in 0 structures by 0.00 A. Peak 6930 from nnoeabs.peaks (0.87, 8.30, 120.25 ppm; 4.08 A): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 69 + H LEU 69 OK 99 100 100 99 2.2-4.2 4.9=57, ~2208=41...(21) QD2 LEU 70 + H LEU 69 OK 53 95 60 94 3.7-6.4 11089/6916=46...(13) QG2 ILE 32 + H LEU 69 OK 25 92 40 68 4.3-8.7 ~10827=26, 3.0/11056=21...(10) QD2 LEU 123 - H LEU 69 far 0 92 0 - 5.9-10.1 QG2 VAL 20 - H LEU 69 far 0 78 0 - 7.4-21.8 QD2 LEU 22 - H LEU 69 far 0 63 0 - 9.5-21.8 Violated in 0 structures by 0.00 A. Peak 6931 from nnoeabs.peaks (8.46, 8.30, 120.25 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + H LEU 69 OK 100 100 100 100 2.5-2.9 3.6=100 H ASP 47 - H LEU 69 far 0 99 0 - 7.8-10.2 H LEU 100 - H LEU 69 far 0 78 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 6932 from nnoeabs.peaks (8.14, 8.30, 120.25 ppm; 5.16 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 71 + H LEU 69 OK 100 100 100 100 3.8-4.6 6956/3.6=75, 6957=57...(20) H ILE 32 - H LEU 69 far 0 100 0 - 6.7-12.4 H LEU 22 - H LEU 69 far 0 97 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 6933 from nnoeabs.peaks (8.46, 8.46, 121.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H LEU 70 OK 100 100 - 100 Peak 6934 from nnoeabs.peaks (3.63, 8.46, 121.15 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + H LEU 70 OK 100 100 100 100 3.6-5.1 3.6/11100=94...(15) HA3 GLY 66 + H LEU 70 OK 100 100 100 100 4.3-5.2 3.6/11100=94...(15) Violated in 0 structures by 0.00 A. Peak 6935 from nnoeabs.peaks (3.63, 8.46, 121.15 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + H LEU 70 OK 100 100 100 100 4.3-5.2 3.6/11100=94...(15) HA2 GLY 66 + H LEU 70 OK 100 100 100 100 3.6-5.1 3.6/11100=94...(15) Violated in 0 structures by 0.00 A. Peak 6936 from nnoeabs.peaks (4.22, 8.46, 121.15 ppm; 4.34 A): 1 out of 5 assignments used, quality = 1.00: * HA HIS 67 + H LEU 70 OK 100 100 100 100 3.4-4.1 2099=98, 6916/3.6=59...(20) HA ALA 34 - H LEU 70 far 0 99 0 - 6.8-14.4 HA ALA 29 - H LEU 70 far 0 97 0 - 7.6-12.9 HA GLU 30 - H LEU 70 far 0 99 0 - 8.4-15.0 HA SER 94 - H LEU 70 far 0 92 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 6937 from nnoeabs.peaks (7.86, 8.46, 121.15 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + H LEU 70 OK 100 100 100 100 3.9-4.4 6894=100, 2.9/6938=82...(20) H GLU 128 - H LEU 70 far 0 81 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 6938 from nnoeabs.peaks (3.99, 8.46, 121.15 ppm; 4.26 A): 1 out of 6 assignments used, quality = 0.99: * HA GLN 68 + H LEU 70 OK 99 100 100 99 4.0-5.0 6956/3.4=56, 2.9/6894=52...(15) HA THR 65 - H LEU 70 far 0 76 0 - 5.9-6.9 HA GLN 127 - H LEU 70 far 0 73 0 - 7.7-11.8 HA ILE 37 - H LEU 70 far 0 65 0 - 7.8-13.1 HB3 SER 106 - H LEU 70 far 0 92 0 - 9.9-17.3 HB3 SER 99 - H LEU 70 far 0 96 0 - 9.9-11.0 Violated in 19 structures by 0.31 A. Peak 6939 from nnoeabs.peaks (8.30, 8.46, 121.15 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 69 + H LEU 70 OK 100 100 100 100 2.5-2.9 3.6=100 H TYR 72 + H LEU 70 OK 75 76 100 98 3.9-4.4 6974=46, 6973/3.6=44...(24) H VAL 126 - H LEU 70 far 0 99 0 - 6.2-9.0 H LEU 49 - H LEU 70 far 0 100 0 - 7.8-11.5 H LEU 96 - H LEU 70 far 0 73 0 - 8.1-9.6 H SER 99 - H LEU 70 far 0 99 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 6940 from nnoeabs.peaks (4.33, 8.46, 121.15 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + H LEU 70 OK 100 100 100 100 3.5-3.6 3.6=100 HA2 GLY 75 - H LEU 70 far 0 95 0 - 8.5-10.4 HA CYS 125 - H LEU 70 far 0 73 0 - 9.2-12.1 HA LYS 24 - H LEU 70 far 0 100 0 - 9.6-22.3 Violated in 0 structures by 0.00 A. Peak 6941 from nnoeabs.peaks (1.67, 8.46, 121.15 ppm; 3.74 A): 1 out of 7 assignments used, quality = 0.99: * HB2 LEU 69 + H LEU 70 OK 99 100 100 99 2.3-3.9 4.4=60, 2.9/6943=43...(28) HD3 LYS 36 - H LEU 70 far 0 100 0 - 6.0-12.8 HD2 LYS 36 - H LEU 70 far 0 100 0 - 6.6-12.0 HD2 LYS 31 - H LEU 70 far 0 99 0 - 8.0-17.4 HD3 LYS 31 - H LEU 70 far 0 98 0 - 8.7-17.7 HB2 LEU 123 - H LEU 70 far 0 85 0 - 8.9-12.3 HG LEU 62 - H LEU 70 far 0 81 0 - 9.9-12.0 Violated in 1 structures by 0.01 A. Peak 6942 from nnoeabs.peaks (2.16, 8.46, 121.15 ppm; 4.61 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 69 + H LEU 70 OK 100 100 100 100 2.8-4.3 4.4=100 HB3 GLN 68 + H LEU 70 OK 94 95 100 99 4.9-6.1 3.0/6938=70, 3.7/6894=52...(23) HB2 GLU 97 - H LEU 70 far 0 65 0 - 6.5-9.1 HB2 GLN 104 - H LEU 70 far 0 73 0 - 7.3-12.6 Violated in 0 structures by 0.00 A. Peak 6943 from nnoeabs.peaks (1.51, 8.46, 121.15 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 69 + H LEU 70 OK 100 100 100 100 1.9-5.2 2.9/6941=81, 2.1/6944=70...(25) HB2 LEU 49 - H LEU 70 far 4 89 5 - 6.0-9.8 HG LEU 42 - H LEU 70 far 0 63 0 - 6.5-10.2 HB2 LEU 53 - H LEU 70 far 0 99 0 - 9.6-15.7 Violated in 9 structures by 0.14 A. Peak 6944 from nnoeabs.peaks (1.01, 8.46, 121.15 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + H LEU 70 OK 100 100 100 100 2.1-4.5 3.2/6941=81, 2.1/6943=80...(26) QG2 VAL 118 - H LEU 70 far 0 100 0 - 9.0-13.6 Violated in 0 structures by 0.00 A. Peak 6945 from nnoeabs.peaks (0.87, 8.46, 121.15 ppm; 4.24 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 69 + H LEU 70 OK 100 100 100 100 3.5-4.7 3.0/6941=69, 2.1/6943=64...(22) QD2 LEU 70 + H LEU 70 OK 95 95 100 100 2.0-4.3 2269/2.9=76, 2268=71...(24) QG2 ILE 32 - H LEU 70 far 9 92 10 - 4.6-10.3 QD2 LEU 123 - H LEU 70 far 0 92 0 - 6.1-9.8 QD2 LEU 98 - H LEU 70 far 0 99 0 - 8.7-10.7 QG2 VAL 20 - H LEU 70 far 0 78 0 - 9.3-23.7 Violated in 0 structures by 0.00 A. Peak 6946 from nnoeabs.peaks (3.88, 8.46, 121.15 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + H LEU 70 OK 100 100 100 100 2.7-2.8 2.9=100 HA ALA 46 - H LEU 70 far 5 93 5 - 5.4-8.9 HB3 SER 33 - H LEU 70 far 0 57 0 - 9.1-14.9 HA3 GLY 75 - H LEU 70 far 0 78 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 6947 from nnoeabs.peaks (1.71, 8.46, 121.15 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 70 + H LEU 70 OK 100 100 100 100 2.0-3.6 3.2=100 HB3 LEU 70 + H LEU 70 OK 100 100 100 100 2.1-3.6 3.2=100 HG LEU 48 - H LEU 70 far 0 100 0 - 8.9-14.0 Violated in 0 structures by 0.00 A. Peak 6948 from nnoeabs.peaks (1.71, 8.46, 121.15 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + H LEU 70 OK 100 100 100 100 2.1-3.6 3.2=100 HB2 LEU 70 + H LEU 70 OK 100 100 100 100 2.0-3.6 3.2=100 HG LEU 48 - H LEU 70 far 0 100 0 - 8.9-14.0 Violated in 0 structures by 0.00 A. Peak 6949 from nnoeabs.peaks (1.61, 8.46, 121.15 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 70 + H LEU 70 OK 100 100 100 100 2.0-4.6 5.0=77, 2.1/2268=73...(24) HB2 LEU 122 - H LEU 70 far 5 100 5 - 5.9-10.9 HG LEU 122 - H LEU 70 far 0 99 0 - 6.4-8.7 Violated in 1 structures by 0.00 A. Peak 6950 from nnoeabs.peaks (0.82, 8.46, 121.15 ppm; 3.92 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 70 + H LEU 70 OK 100 100 100 100 2.3-4.2 4.3=74, 2261/2.9=64...(31) QD2 LEU 49 + H LEU 70 OK 49 78 85 74 4.0-6.5 11250=20, 11034/6941=16...(19) QD1 LEU 122 + H LEU 70 OK 21 96 35 64 4.4-8.2 9487/11094=18...(19) QD1 LEU 53 - H LEU 70 far 0 71 0 - 5.8-12.9 QG2 ILE 129 - H LEU 70 far 0 100 0 - 6.6-8.4 QG1 VAL 133 - H LEU 70 far 0 87 0 - 8.6-10.2 QD2 LEU 119 - H LEU 70 far 0 87 0 - 9.8-14.6 Violated in 1 structures by 0.00 A. Peak 6951 from nnoeabs.peaks (0.86, 8.46, 121.15 ppm; 4.33 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 70 + H LEU 70 OK 100 100 100 100 2.0-4.3 2269/2.9=85, 2268=78...(25) QD2 LEU 69 + H LEU 70 OK 94 95 100 100 3.5-4.7 3.0/6941=72, 2.1/6943=66...(22) QG2 ILE 32 - H LEU 70 far 10 100 10 - 4.6-10.3 QD2 LEU 123 - H LEU 70 far 0 63 0 - 6.1-9.8 QG1 VAL 133 - H LEU 70 far 0 83 0 - 8.6-10.2 QD2 LEU 98 - H LEU 70 far 0 83 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 6952 from nnoeabs.peaks (8.14, 8.46, 121.15 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + H LEU 70 OK 100 100 100 100 2.5-2.9 3.4=100 H ILE 32 - H LEU 70 far 0 100 0 - 9.1-12.9 Violated in 0 structures by 0.00 A. Peak 6953 from nnoeabs.peaks (8.32, 8.46, 121.15 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 72 + H LEU 70 OK 100 100 100 100 3.9-4.4 6974=81, 6973/3.6=72...(25) H LEU 69 + H LEU 70 OK 76 76 100 100 2.5-2.9 3.6=100 H LEU 49 - H LEU 70 far 0 85 0 - 7.8-11.5 H SER 99 - H LEU 70 far 0 57 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 6954 from nnoeabs.peaks (8.14, 8.14, 121.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + H ASP 71 OK 100 100 - 100 Peak 6955 from nnoeabs.peaks (4.22, 8.14, 121.15 ppm; 5.44 A): 1 out of 7 assignments used, quality = 1.00: * HA HIS 67 + H ASP 71 OK 100 100 100 100 3.6-4.8 6936/3.4=81...(12) HA ALA 34 - H ASP 71 poor 20 99 20 - 5.2-12.8 HA ALA 29 - H ASP 71 far 10 97 10 - 5.7-14.5 HA GLU 30 - H ASP 71 far 5 99 5 - 6.5-16.2 HA SER 94 - H ASP 71 far 0 92 0 - 9.3-11.0 HA GLN 27 - H ASP 71 far 0 68 0 - 9.6-18.4 HA ALA 28 - H ASP 71 far 0 83 0 - 9.9-19.2 Violated in 0 structures by 0.00 A. Peak 6956 from nnoeabs.peaks (3.99, 8.14, 121.15 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 68 + H ASP 71 OK 100 100 100 100 3.5-4.0 2129/6968=63...(21) HA ILE 37 - H ASP 71 far 0 65 0 - 7.4-12.1 HA THR 65 - H ASP 71 far 0 76 0 - 7.5-8.3 HB3 SER 106 - H ASP 71 far 0 92 0 - 8.7-17.7 HB2 SER 106 - H ASP 71 far 0 65 0 - 9.2-18.3 Violated in 0 structures by 0.00 A. Peak 6957 from nnoeabs.peaks (8.30, 8.14, 121.15 ppm; 4.36 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 69 + H ASP 71 OK 99 100 100 99 3.8-4.6 6932=61, 3.6/6956=57...(20) H TYR 72 + H ASP 71 OK 76 76 100 100 2.5-2.8 3.4=100 H VAL 126 - H ASP 71 far 0 99 0 - 8.7-11.1 H ALA 28 - H ASP 71 far 0 63 0 - 9.3-19.4 H LEU 96 - H ASP 71 far 0 73 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 6958 from nnoeabs.peaks (4.33, 8.14, 121.15 ppm; 6.36 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + H ASP 71 OK 100 100 100 100 3.9-4.6 6973/3.4=100...(19) HA2 GLY 75 - H ASP 71 poor 20 95 50 42 6.3-8.5 6988/6970=23, ~6975=19 HA LYS 24 - H ASP 71 far 0 100 0 - 8.9-23.3 HA TYR 76 - H ASP 71 far 0 85 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 6959 from nnoeabs.peaks (8.46, 8.14, 121.15 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + H ASP 71 OK 100 100 100 100 2.5-2.9 3.4=100 H LEU 100 - H ASP 71 far 0 78 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 6960 from nnoeabs.peaks (3.88, 8.14, 121.15 ppm; 4.99 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + H ASP 71 OK 100 100 100 100 3.4-3.6 3.6=100 HB3 SER 33 - H ASP 71 far 0 57 0 - 7.0-14.2 HA3 GLY 75 - H ASP 71 far 0 78 0 - 7.4-9.5 HA ALA 46 - H ASP 71 far 0 93 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 6961 from nnoeabs.peaks (1.71, 8.14, 121.15 ppm; 4.18 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 70 + H ASP 71 OK 100 100 100 100 2.4-4.3 4.3=89, 3.2/2275=47...(28) HB3 LEU 70 + H ASP 71 OK 100 100 100 100 2.4-4.3 4.3=89, 3.2/2275=47...(29) Violated in 0 structures by 0.00 A. Peak 6962 from nnoeabs.peaks (1.71, 8.14, 121.15 ppm; 4.18 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 70 + H ASP 71 OK 100 100 100 100 2.4-4.3 4.3=89, 3.2/2275=47...(29) HB2 LEU 70 + H ASP 71 OK 100 100 100 100 2.4-4.3 4.3=89, 3.2/2275=47...(28) Violated in 0 structures by 0.00 A. Peak 6964 from nnoeabs.peaks (0.82, 8.14, 121.15 ppm; 5.08 A): 1 out of 7 assignments used, quality = 1.00: * QD1 LEU 70 + H ASP 71 OK 100 100 100 100 2.2-4.9 2261/3.6=81, 2.1/2275=81...(25) QD2 LEU 49 - H ASP 71 poor 20 78 25 - 6.1-8.4 QD1 LEU 122 - H ASP 71 far 10 96 10 - 6.2-9.8 QG2 ILE 129 - H ASP 71 far 0 100 0 - 7.2-9.0 QD1 LEU 53 - H ASP 71 far 0 71 0 - 8.0-14.8 QG1 VAL 133 - H ASP 71 far 0 87 0 - 9.2-10.8 QG2 ILE 80 - H ASP 71 far 0 100 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 6965 from nnoeabs.peaks (0.86, 8.14, 121.15 ppm; 4.79 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 70 + H ASP 71 OK 100 100 100 100 2.0-4.5 2275=93, 2269/3.6=84...(22) QD2 LEU 69 + H ASP 71 OK 71 95 75 100 4.8-6.7 4.9/6932=42, ~6943=41...(30) QG2 ILE 32 - H ASP 71 poor 14 100 35 39 3.1-10.8 930/927=11, ~10761=6...(8) QD2 LEU 123 - H ASP 71 far 0 63 0 - 8.4-12.0 QD2 LEU 98 - H ASP 71 far 0 83 0 - 9.0-10.8 QG1 VAL 133 - H ASP 71 far 0 83 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 6966 from nnoeabs.peaks (4.42, 8.14, 121.15 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 71 + H ASP 71 OK 100 100 100 100 2.8-2.9 2.8=100 HA SER 33 - H ASP 71 far 4 85 5 - 5.0-11.8 HA SER 107 - H ASP 71 far 0 63 0 - 6.8-14.7 Violated in 0 structures by 0.00 A. Peak 6967 from nnoeabs.peaks (2.63, 8.14, 121.15 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + H ASP 71 OK 100 100 100 100 2.3-3.4 2285=88, 1.8/6968=79...(11) Violated in 0 structures by 0.00 A. Peak 6968 from nnoeabs.peaks (2.81, 8.14, 121.15 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASP 71 + H ASP 71 OK 99 100 100 99 2.1-3.6 2291=77, 1.8/6967=66...(15) HB3 ASP 64 - H ASP 71 far 0 96 0 - 9.9-11.7 Violated in 1 structures by 0.01 A. Peak 6969 from nnoeabs.peaks (8.32, 8.14, 121.15 ppm; 4.32 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 72 + H ASP 71 OK 100 100 100 100 2.5-2.8 3.4=100 H LEU 69 + H ASP 71 OK 74 76 100 98 3.8-4.6 3.6/6956=56, 6932=38...(20) H ALA 28 - H ASP 71 far 0 100 0 - 9.3-19.4 Violated in 0 structures by 0.00 A. Peak 6970 from nnoeabs.peaks (8.85, 8.14, 121.15 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + H ASP 71 OK 100 100 100 100 3.6-4.5 6990=83, 6989/3.6=76...(16) Violated in 0 structures by 0.00 A. Peak 6971 from nnoeabs.peaks (8.32, 8.32, 120.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 72 + H TYR 72 OK 100 100 - 100 Peak 6972 from nnoeabs.peaks (3.99, 8.32, 120.30 ppm; 6.08 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 68 + H TYR 72 OK 100 100 100 100 4.4-4.9 6956/3.4=93...(17) HA ILE 37 + H TYR 72 OK 42 65 65 100 5.0-10.0 9366/6983=65...(11) HA THR 65 - H TYR 72 far 0 76 0 - 8.3-9.3 HB2 SER 38 - H TYR 72 far 0 81 0 - 8.6-12.7 Violated in 0 structures by 0.00 A. Peak 6973 from nnoeabs.peaks (4.33, 8.32, 120.30 ppm; 3.14 A): 1 out of 3 assignments used, quality = 0.91: * HA LEU 69 + H TYR 72 OK 91 100 100 91 3.2-3.8 3.6/6974=25...(23) HA2 GLY 75 - H TYR 72 far 0 95 0 - 5.2-6.9 HA TYR 76 - H TYR 72 far 0 85 0 - 7.6-8.4 Violated in 20 structures by 0.22 A. Peak 6974 from nnoeabs.peaks (8.46, 8.32, 120.30 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H TYR 72 OK 100 100 100 100 3.9-4.4 3.6/6973=80, 6953=57...(25) Violated in 0 structures by 0.00 A. Peak 6975 from nnoeabs.peaks (3.88, 8.32, 120.30 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 70 + H TYR 72 OK 100 100 100 100 3.9-4.5 2.9/6974=99, 4.9/6973=96...(20) HA3 GLY 75 + H TYR 72 OK 58 78 100 74 6.6-7.9 7003/7005=33, ~11140=29...(6) HA ALA 46 - H TYR 72 poor 19 93 20 - 7.6-10.6 HB3 SER 33 - H TYR 72 poor 14 57 25 - 6.7-14.1 HA ALA 41 - H TYR 72 far 0 63 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 6976 from nnoeabs.peaks (8.14, 8.32, 120.30 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + H TYR 72 OK 100 100 100 100 2.5-2.8 3.4=100 H ILE 32 - H TYR 72 far 0 100 0 - 7.6-14.8 Violated in 0 structures by 0.00 A. Peak 6977 from nnoeabs.peaks (4.42, 8.32, 120.30 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 71 + H TYR 72 OK 100 100 100 100 3.4-3.5 3.6=100 HA SER 33 - H TYR 72 poor 17 85 20 - 4.3-12.1 HA SER 107 - H TYR 72 far 0 63 0 - 9.0-16.9 Violated in 0 structures by 0.00 A. Peak 6978 from nnoeabs.peaks (2.63, 8.32, 120.30 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + H TYR 72 OK 100 100 100 100 2.8-4.1 2289=88, 1.8/6979=84...(13) Violated in 0 structures by 0.00 A. Peak 6979 from nnoeabs.peaks (2.81, 8.32, 120.30 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + H TYR 72 OK 100 100 100 100 2.7-4.1 1.8/6978=68, 4.6=65...(14) Violated in 1 structures by 0.00 A. Peak 6980 from nnoeabs.peaks (4.55, 8.32, 120.30 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 72 + H TYR 72 OK 100 100 100 100 2.8-2.9 2.9=100 HA SER 38 - H TYR 72 far 0 97 0 - 6.1-11.2 HA ASP 35 - H TYR 72 far 0 63 0 - 7.7-12.1 Violated in 0 structures by 0.00 A. Peak 6981 from nnoeabs.peaks (3.02, 8.32, 120.30 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + H TYR 72 OK 100 100 100 100 2.3-3.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 6982 from nnoeabs.peaks (3.34, 8.32, 120.30 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + H TYR 72 OK 100 100 100 100 2.4-3.6 3.8=100 HB3 CYS 73 + H TYR 72 OK 38 85 50 90 4.2-6.1 3.4/11831=40...(17) HB2 HIS 67 - H TYR 72 far 0 100 0 - 7.1-8.8 Violated in 0 structures by 0.00 A. Peak 6983 from nnoeabs.peaks (7.15, 8.32, 120.30 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + H TYR 72 OK 100 100 100 100 2.4-3.4 4.5=68, 11028/6973=49...(22) HD2 HIS 67 - H TYR 72 far 0 100 0 - 5.9-10.8 Violated in 0 structures by 0.00 A. Peak 6984 from nnoeabs.peaks (6.81, 8.32, 120.30 ppm; 5.37 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 72 + H TYR 72 OK 100 100 100 100 4.0-5.0 2.2/6983=98, 2301/2.9=84...(20) HE21 GLN 127 - H TYR 72 far 0 95 0 - 8.9-17.7 Violated in 0 structures by 0.00 A. Peak 6985 from nnoeabs.peaks (8.85, 8.32, 120.30 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + H TYR 72 OK 100 100 100 100 2.3-2.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 6986 from nnoeabs.peaks (8.41, 8.32, 120.30 ppm; 5.58 A): 1 out of 4 assignments used, quality = 1.00: * H SER 74 + H TYR 72 OK 100 100 100 100 3.9-4.4 7005=100, 7007/3.5=92...(13) H ASP 35 - H TYR 72 far 8 81 10 - 6.5-11.9 H ALA 34 - H TYR 72 lone 1 71 30 3 4.6-12.3 2.9/213=2 H VAL 93 - H TYR 72 far 0 63 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 6987 from nnoeabs.peaks (8.85, 8.85, 116.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + H CYS 73 OK 100 100 - 100 Peak 6988 from nnoeabs.peaks (4.33, 8.85, 116.83 ppm; 5.36 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 69 + H CYS 73 OK 100 100 100 100 3.7-4.6 6973/3.5=94...(23) HA2 GLY 75 + H CYS 73 OK 80 95 100 85 5.5-6.4 ~9539=39, 4.9/6999=28...(10) HA TYR 76 + H CYS 73 OK 38 85 45 100 6.3-7.2 ~11789=48, ~11160=41...(17) Violated in 0 structures by 0.00 A. Peak 6989 from nnoeabs.peaks (3.88, 8.85, 116.83 ppm; 4.65 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 70 + H CYS 73 OK 100 100 100 100 3.0-3.9 2231=83, 2233/3.8=61...(25) HA3 GLY 75 - H CYS 73 far 0 78 0 - 6.5-7.0 HA ALA 46 - H CYS 73 far 0 93 0 - 7.2-10.0 HB3 SER 33 - H CYS 73 far 0 57 0 - 8.2-16.1 HA ALA 41 - H CYS 73 far 0 63 0 - 9.7-11.7 HB2 SER 94 - H CYS 73 far 0 81 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 6990 from nnoeabs.peaks (8.14, 8.85, 116.83 ppm; 5.85 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 71 + H CYS 73 OK 100 100 100 100 3.6-4.5 6970=100, 3.6/6989=83...(16) H ILE 32 - H CYS 73 far 0 100 0 - 8.2-16.4 H VAL 133 - H CYS 73 far 0 99 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 6991 from nnoeabs.peaks (4.42, 8.85, 116.83 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 71 + H CYS 73 OK 100 100 100 100 4.1-4.8 7004/7007=88...(11) HA SER 33 - H CYS 73 poor 17 85 20 - 5.5-14.2 Violated in 0 structures by 0.00 A. Peak 6992 from nnoeabs.peaks (8.32, 8.85, 116.83 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + H CYS 73 OK 100 100 100 100 2.3-2.8 3.5=100 H LEU 69 - H CYS 73 far 0 76 0 - 5.8-6.4 H GLU 44 - H CYS 73 far 0 97 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 6993 from nnoeabs.peaks (4.55, 8.85, 116.83 ppm; 5.49 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 72 + H CYS 73 OK 100 100 100 100 3.4-3.6 3.6=100 HA SER 38 - H CYS 73 far 0 97 0 - 7.6-11.2 HA ASP 35 - H CYS 73 far 0 63 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 6994 from nnoeabs.peaks (3.02, 8.85, 116.83 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + H CYS 73 OK 100 100 100 100 2.3-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 6995 from nnoeabs.peaks (3.34, 8.85, 116.83 ppm; 4.80 A): 2 out of 5 assignments used, quality = 1.00: * HB3 TYR 72 + H CYS 73 OK 100 100 100 100 2.3-4.2 4.4=100 HB3 CYS 73 + H CYS 73 OK 85 85 100 100 2.3-3.6 3.8=100 HB2 HIS 67 - H CYS 73 far 0 100 0 - 9.2-10.3 HB2 PHE 89 - H CYS 73 far 0 68 0 - 9.2-10.3 HB3 PHE 89 - H CYS 73 far 0 99 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 6996 from nnoeabs.peaks (7.15, 8.85, 116.83 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + H CYS 73 OK 100 100 100 100 2.6-4.4 6983/3.5=87...(26) HD2 HIS 67 - H CYS 73 far 0 100 0 - 7.6-12.5 Violated in 0 structures by 0.00 A. Peak 6998 from nnoeabs.peaks (4.38, 8.85, 116.83 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 73 + H CYS 73 OK 100 100 100 100 2.8-2.9 2.9=100 HA SER 33 - H CYS 73 far 14 96 15 - 5.5-14.2 Violated in 0 structures by 0.00 A. Peak 6999 from nnoeabs.peaks (2.75, 8.85, 116.83 ppm; 4.33 A): 2 out of 5 assignments used, quality = 1.00: * HB2 CYS 73 + H CYS 73 OK 100 100 100 100 2.3-3.6 3.8=100 HB2 TYR 76 + H CYS 73 OK 83 97 90 96 4.4-6.7 ~11160=33, ~11137=33...(16) HB2 CYS 125 - H CYS 73 far 0 96 0 - 8.2-11.4 HB3 ASP 78 - H CYS 73 far 0 97 0 - 9.2-11.0 HB3 ASP 35 - H CYS 73 far 0 100 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 7000 from nnoeabs.peaks (3.32, 8.85, 116.83 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HB3 CYS 73 + H CYS 73 OK 100 100 100 100 2.3-3.6 3.8=100 HB3 TYR 72 + H CYS 73 OK 84 85 100 99 2.3-4.2 4.4=87, 2.7/6996=42...(19) HB2 HIS 67 - H CYS 73 far 0 81 0 - 9.2-10.3 HB2 PHE 89 - H CYS 73 far 0 99 0 - 9.2-10.3 HB3 PHE 89 - H CYS 73 far 0 96 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 7001 from nnoeabs.peaks (8.41, 8.85, 116.83 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * H SER 74 + H CYS 73 OK 100 100 100 100 2.5-2.8 3.8=100 H ALA 34 - H CYS 73 far 11 71 15 - 5.2-13.9 H VAL 93 - H CYS 73 far 0 63 0 - 7.6-8.8 H ASP 35 - H CYS 73 far 0 81 0 - 7.7-13.3 Violated in 0 structures by 0.00 A. Peak 7002 from nnoeabs.peaks (8.41, 8.41, 115.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 74 + H SER 74 OK 100 100 - 100 Peak 7003 from nnoeabs.peaks (3.88, 8.41, 115.94 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 70 + H SER 74 OK 99 100 100 99 3.4-4.2 6989/7007=56...(14) HA3 GLY 75 + H SER 74 OK 76 78 100 97 4.9-5.4 2.9/7014=80, 3.5/9582=53...(11) HB3 SER 33 - H SER 74 far 0 57 0 - 7.4-18.1 HB2 SER 94 - H SER 74 far 0 81 0 - 7.9-9.8 HA ALA 46 - H SER 74 far 0 93 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 7004 from nnoeabs.peaks (4.42, 8.41, 115.94 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 71 + H SER 74 OK 100 100 100 100 3.4-4.1 2281=97, 3.6/7005=40...(8) HA SER 33 - H SER 74 far 8 85 10 - 5.2-16.0 HA SER 9 - H SER 74 far 0 78 0 - 8.4-44.9 HA SER 107 - H SER 74 far 0 63 0 - 9.5-18.2 Violated in 0 structures by 0.00 A. Peak 7005 from nnoeabs.peaks (8.32, 8.41, 115.94 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + H SER 74 OK 100 100 100 100 3.9-4.4 6986=99, 3.5/7007=92...(13) H LEU 69 - H SER 74 far 0 76 0 - 7.5-8.4 H ALA 28 - H SER 74 far 0 100 0 - 9.1-23.0 Violated in 0 structures by 0.00 A. Peak 7006 from nnoeabs.peaks (4.55, 8.41, 115.94 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.99: * HA TYR 72 + H SER 74 OK 99 100 100 99 4.5-4.9 3.6/7007=90, 2.9/7005=69...(8) HA SER 38 - H SER 74 far 0 97 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 7007 from nnoeabs.peaks (8.85, 8.41, 115.94 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.99: * H CYS 73 + H SER 74 OK 99 100 100 99 2.5-2.8 3.8=88, 9555/9557=37...(16) Violated in 0 structures by 0.00 A. Peak 7008 from nnoeabs.peaks (4.38, 8.41, 115.94 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * HA CYS 73 + H SER 74 OK 100 100 100 100 3.5-3.6 3.6=100 HA SER 33 - H SER 74 far 10 96 10 - 5.2-16.0 HA SER 9 - H SER 74 far 0 98 0 - 8.4-44.9 HA ASP 78 - H SER 74 far 0 100 0 - 9.2-10.3 HA SER 107 - H SER 74 far 0 100 0 - 9.5-18.2 Violated in 0 structures by 0.00 A. Peak 7009 from nnoeabs.peaks (2.75, 8.41, 115.94 ppm; 4.23 A): 2 out of 5 assignments used, quality = 1.00: * HB2 CYS 73 + H SER 74 OK 100 100 100 100 2.4-4.1 4.4=86, 3.8/7007=61...(19) HB2 TYR 76 + H SER 74 OK 46 97 55 87 5.0-7.3 3.8/9582=43, 2321/3.6=26...(15) HB3 ASP 78 - H SER 74 far 0 97 0 - 7.6-9.9 HB2 CYS 125 - H SER 74 far 0 96 0 - 8.3-10.9 HB3 ASP 35 - H SER 74 far 0 100 0 - 9.4-17.2 Violated in 0 structures by 0.00 A. Peak 7010 from nnoeabs.peaks (3.32, 8.41, 115.94 ppm; 4.04 A): 2 out of 5 assignments used, quality = 0.99: * HB3 CYS 73 + H SER 74 OK 99 100 100 99 2.4-4.1 4.4=75, 3.8/7007=56...(17) HB3 TYR 72 + H SER 74 OK 39 85 55 83 4.8-6.2 4.4/7007=47, 3.0/7006=36...(6) HB2 PHE 89 - H SER 74 far 0 99 0 - 8.4-10.0 HB3 PHE 89 - H SER 74 far 0 96 0 - 8.7-10.3 HB2 HIS 67 - H SER 74 far 0 81 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 7011 from nnoeabs.peaks (4.29, 8.41, 115.94 ppm; 3.42 A): 2 out of 4 assignments used, quality = 1.00: * HA SER 74 + H SER 74 OK 100 100 100 100 2.7-2.9 2.9=100 HA2 GLY 75 + H SER 74 OK 21 65 40 80 4.6-5.3 2.9/7014=50, 3.5/9582=28...(10) HA TYR 76 - H SER 74 far 0 81 0 - 6.6-7.2 HA LYS 31 - H SER 74 far 0 93 0 - 9.2-19.7 Violated in 0 structures by 0.00 A. Peak 7012 from nnoeabs.peaks (4.07, 8.41, 115.94 ppm; 3.47 A): 2 out of 6 assignments used, quality = 0.98: * HB2 SER 74 + H SER 74 OK 87 100 100 87 2.1-3.6 3.9=73, 4.6/7014=31...(9) HB3 SER 74 + H SER 74 OK 87 100 100 87 2.1-3.4 3.9=73, 4.6/7014=31...(7) HA PHE 89 - H SER 74 far 0 87 0 - 8.6-9.6 HA LEU 96 - H SER 74 far 0 68 0 - 8.7-9.8 HA LEU 122 - H SER 74 far 0 87 0 - 9.2-12.2 HA ALA 92 - H SER 74 far 0 83 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 7013 from nnoeabs.peaks (4.07, 8.41, 115.94 ppm; 3.47 A): 2 out of 6 assignments used, quality = 0.98: HB2 SER 74 + H SER 74 OK 87 100 100 87 2.1-3.6 3.9=73, 4.6/7014=31...(9) * HB3 SER 74 + H SER 74 OK 87 100 100 87 2.1-3.4 3.9=73, 4.6/7014=31...(7) HA PHE 89 - H SER 74 far 0 89 0 - 8.6-9.6 HA LEU 96 - H SER 74 far 0 65 0 - 8.7-9.8 HA LEU 122 - H SER 74 far 0 85 0 - 9.2-12.2 HA ALA 92 - H SER 74 far 0 81 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 7014 from nnoeabs.peaks (7.79, 8.41, 115.94 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.99: * H GLY 75 + H SER 74 OK 99 100 100 99 2.3-2.8 7016=91, 3.1/9582=35...(17) Violated in 0 structures by 0.00 A. Peak 7015 from nnoeabs.peaks (7.79, 7.79, 107.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + H GLY 75 OK 100 100 - 100 Peak 7016 from nnoeabs.peaks (8.41, 7.79, 107.45 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * H SER 74 + H GLY 75 OK 100 100 100 100 2.3-2.8 7014=100, 9582/3.1=38...(17) H ALA 34 - H GLY 75 poor 18 71 25 - 3.3-15.0 H ASP 35 - H GLY 75 far 0 81 0 - 5.6-15.4 H VAL 93 - H GLY 75 far 0 63 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 7017 from nnoeabs.peaks (4.29, 7.79, 107.45 ppm; 3.74 A): 3 out of 4 assignments used, quality = 1.00: * HA SER 74 + H GLY 75 OK 100 100 100 100 3.4-3.5 3.6=100 HA TYR 76 + H GLY 75 OK 72 81 100 89 4.5-5.1 3.6/11147=34, ~7029=22...(18) HA2 GLY 75 + H GLY 75 OK 65 65 100 100 2.3-2.5 2.9=100 HA LYS 31 - H GLY 75 far 0 93 0 - 7.8-20.9 Violated in 0 structures by 0.00 A. Peak 7018 from nnoeabs.peaks (4.07, 7.79, 107.45 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 74 + H GLY 75 OK 97 100 100 97 3.4-4.4 4.6=76, 3.9/7014=58...(16) HB3 SER 74 + H GLY 75 OK 97 100 100 97 3.0-4.0 4.6=76, 3.9/7014=58...(14) HA PHE 89 - H GLY 75 far 0 87 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 7019 from nnoeabs.peaks (4.07, 7.79, 107.45 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: HB2 SER 74 + H GLY 75 OK 97 100 100 97 3.4-4.4 4.6=76, 3.9/7014=58...(16) * HB3 SER 74 + H GLY 75 OK 97 100 100 97 3.0-4.0 4.6=76, 3.9/7014=58...(14) HA PHE 89 - H GLY 75 far 0 89 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 7020 from nnoeabs.peaks (4.32, 7.79, 107.45 ppm; 3.37 A): 3 out of 4 assignments used, quality = 1.00: * HA2 GLY 75 + H GLY 75 OK 100 100 100 100 2.3-2.5 2.9=100 HA SER 74 + H GLY 75 OK 64 65 100 98 3.4-3.5 3.6=84, 2.9/7014=49...(14) HA TYR 76 + H GLY 75 OK 57 99 70 82 4.5-5.1 3.6/11147=27, ~7029=17...(17) HA LEU 69 - H GLY 75 far 0 95 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 7021 from nnoeabs.peaks (3.90, 7.79, 107.45 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HA3 GLY 75 + H GLY 75 OK 100 100 100 100 2.9-3.0 2.9=100 HB2 SER 33 - H GLY 75 far 5 99 5 - 4.7-17.7 HA LEU 70 - H GLY 75 far 0 78 0 - 5.5-6.7 HB2 SER 94 - H GLY 75 far 0 100 0 - 9.3-11.3 HA LYS 86 - H GLY 75 far 0 90 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 7022 from nnoeabs.peaks (8.04, 7.79, 107.45 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 76 + H GLY 75 OK 100 100 100 100 2.0-2.5 3.1=100 H CYS 79 - H GLY 75 far 0 100 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 7023 from nnoeabs.peaks (8.04, 8.04, 121.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H TYR 76 + H TYR 76 OK 100 100 - 100 H ALA 16 + H ALA 16 OK 41 41 - 100 Peak 7024 from nnoeabs.peaks (7.79, 8.04, 121.95 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + H TYR 76 OK 100 100 100 100 2.0-2.5 3.1=100 Violated in 0 structures by 0.00 A. Peak 7025 from nnoeabs.peaks (4.32, 8.04, 121.95 ppm; 3.81 A): 3 out of 11 assignments used, quality = 1.00: * HA2 GLY 75 + H TYR 76 OK 100 100 100 100 2.6-3.2 3.5=100 HA TYR 76 + H TYR 76 OK 99 99 100 100 2.7-2.9 3.0=100 HA SER 74 + H TYR 76 OK 58 65 100 88 4.2-5.3 2.9/9582=30, ~7014=24...(15) HA THR 18 - H ALA 16 far 1 26 5 - 4.9-8.2 HA LYS 24 - H ALA 16 far 0 37 0 - 5.3-19.6 HA ALA 21 - H ALA 16 far 0 24 0 - 5.6-14.3 HA LEU 69 - H TYR 76 far 0 95 0 - 7.6-8.4 HA THR 18 - H TYR 76 far 0 68 0 - 8.8-34.9 HA2 GLY 75 - H ALA 16 far 0 48 0 - 8.9-38.7 HA THR 25 - H ALA 16 far 0 25 0 - 9.6-23.1 HA ASP 47 - H ALA 16 far 0 28 0 - 9.8-37.8 Violated in 0 structures by 0.00 A. Peak 7026 from nnoeabs.peaks (3.90, 8.04, 121.95 ppm; 4.26 A): 1 out of 12 assignments used, quality = 1.00: * HA3 GLY 75 + H TYR 76 OK 100 100 100 100 3.3-3.6 3.5=100 HA2 GLY 14 - H ALA 16 poor 17 39 85 52 2.9-6.8 6116/4.6=22...(7) HA3 GLY 14 - H ALA 16 poor 17 38 85 52 3.4-6.7 6116/4.6=22...(7) HB2 SER 33 - H TYR 76 far 5 99 5 - 5.7-18.0 HA2 GLY 111 - H ALA 16 far 2 24 10 - 4.1-48.2 HA ALA 41 - H ALA 16 far 2 46 5 - 5.4-35.2 HA LEU 70 - H TYR 76 far 0 78 0 - 7.0-7.9 HB2 SER 33 - H ALA 16 far 0 45 0 - 7.3-31.3 HA LYS 86 - H TYR 76 far 0 90 0 - 8.6-10.2 HB2 SER 107 - H ALA 16 far 0 35 0 - 9.1-45.1 HA3 GLY 75 - H ALA 16 far 0 48 0 - 9.1-40.4 HB3 SER 50 - H ALA 16 far 0 39 0 - 9.6-38.5 Violated in 0 structures by 0.00 A. Peak 7027 from nnoeabs.peaks (4.31, 8.04, 121.95 ppm; 3.81 A): 4 out of 15 assignments used, quality = 1.00: * HA TYR 76 + H TYR 76 OK 100 100 100 100 2.7-2.9 3.0=100 HA2 GLY 75 + H TYR 76 OK 99 99 100 100 2.6-3.2 3.5=100 HA SER 74 + H TYR 76 OK 72 81 100 90 4.2-5.3 2.9/9582=30...(15) HA ALA 15 + H ALA 16 OK 25 25 100 100 2.1-3.6 3.6=100 HA ALA 12 - H ALA 16 far 4 25 15 - 4.3-12.5 HA THR 18 - H ALA 16 far 2 34 5 - 4.9-8.2 HA LYS 24 - H ALA 16 far 0 30 0 - 5.3-19.6 HA ALA 21 - H ALA 16 far 0 31 0 - 5.6-14.3 HA ALA 110 - H ALA 16 far 0 24 0 - 6.9-52.9 HA LEU 69 - H TYR 76 far 0 85 0 - 7.6-8.4 HA ARG 23 - H ALA 16 far 0 26 0 - 8.0-17.3 HA THR 18 - H TYR 76 far 0 83 0 - 8.8-34.9 HA2 GLY 75 - H ALA 16 far 0 46 0 - 8.9-38.7 HA THR 25 - H ALA 16 far 0 33 0 - 9.6-23.1 HA ALA 12 - H TYR 76 far 0 65 0 - 9.7-39.8 Violated in 0 structures by 0.00 A. Peak 7028 from nnoeabs.peaks (2.76, 8.04, 121.95 ppm; 3.70 A): 2 out of 8 assignments used, quality = 1.00: * HB2 TYR 76 + H TYR 76 OK 100 100 100 100 2.3-3.3 3.8=91, 1.8/7029=73...(19) HB2 CYS 73 + H TYR 76 OK 38 97 45 88 4.7-6.0 3.0/11789=41...(16) HB3 ASP 78 - H TYR 76 far 4 81 5 - 5.2-6.8 HB3 ASN 13 - H ALA 16 far 0 42 0 - 6.2-10.9 HB3 ASP 35 - H TYR 76 far 0 98 0 - 6.7-17.1 HB3 ASP 35 - H ALA 16 far 0 45 0 - 7.1-35.3 HB2 ASP 64 - H ALA 16 far 0 45 0 - 7.5-33.0 HB3 ASP 78 - H ALA 16 far 0 33 0 - 9.3-44.2 Violated in 0 structures by 0.00 A. Peak 7029 from nnoeabs.peaks (3.13, 8.04, 121.95 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 76 + H TYR 76 OK 100 100 100 100 2.1-2.8 3.8=93, 1.8/7028=54...(18) HB2 HIS 7 - H TYR 76 far 0 87 0 - 8.8-50.6 HB3 CYS 45 - H TYR 76 far 0 100 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 7030 from nnoeabs.peaks (6.50, 8.04, 121.95 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 76 + H TYR 76 OK 100 100 100 100 3.3-4.2 4.6=90, 2.6/7029=80...(27) QE TYR 76 - H TYR 76 far 3 57 5 - 5.6-6.2 Violated in 0 structures by 0.00 A. Peak 7031 from nnoeabs.peaks (6.47, 8.04, 121.95 ppm; 5.15 A): 2 out of 2 assignments used, quality = 1.00: * QE TYR 76 + H TYR 76 OK 100 100 100 100 5.6-6.2 4.5/7029=70...(20) QD TYR 76 + H TYR 76 OK 57 57 100 100 3.3-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 7032 from nnoeabs.peaks (7.54, 8.04, 121.95 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 77 + H TYR 76 OK 100 100 100 100 2.3-2.9 3.1=100 H THR 54 - H ALA 16 far 0 46 0 - 8.8-41.1 HE22 GLN 61 - H ALA 16 far 0 37 0 - 9.2-35.1 Violated in 0 structures by 0.00 A. Peak 7033 from nnoeabs.peaks (7.58, 8.04, 121.95 ppm; 4.70 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 78 + H TYR 76 OK 100 100 100 100 3.9-4.5 7052/9611=67, 7047=49...(15) HD21 ASN 13 - H ALA 16 far 4 40 10 - 3.3-11.5 HE22 GLN 61 - H ALA 16 far 0 31 0 - 9.2-35.1 Violated in 0 structures by 0.00 A. Peak 7034 from nnoeabs.peaks (7.54, 7.54, 116.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 77 + H VAL 77 OK 100 100 - 100 Peak 7035 from nnoeabs.peaks (8.04, 7.54, 116.56 ppm; 3.43 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 76 + H VAL 77 OK 100 100 100 100 2.3-2.9 3.1=100 H CYS 79 + H VAL 77 OK 93 100 100 93 4.1-4.4 9697/7043=35...(19) H SER 130 - H VAL 77 far 0 99 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 7036 from nnoeabs.peaks (4.31, 7.54, 116.56 ppm; 3.93 A): 3 out of 5 assignments used, quality = 1.00: * HA TYR 76 + H VAL 77 OK 100 100 100 100 3.3-3.6 3.6=100 HA2 GLY 75 + H VAL 77 OK 77 99 100 77 4.1-5.1 2.9/11147=45...(7) HA SER 74 + H VAL 77 OK 69 81 100 86 3.8-4.9 3.6/11147=40...(11) HA LEU 69 - H VAL 77 far 0 85 0 - 9.1-10.4 HA PRO 81 - H VAL 77 far 0 71 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7037 from nnoeabs.peaks (2.76, 7.54, 116.56 ppm; 4.41 A): 3 out of 4 assignments used, quality = 1.00: * HB2 TYR 76 + H VAL 77 OK 100 100 100 100 2.4-4.5 4.5=91, 7028/3.1=53...(17) HB3 ASP 78 + H VAL 77 OK 76 81 100 94 4.6-5.7 2416/4.5=39...(12) HB2 CYS 73 + H VAL 77 OK 70 97 85 85 4.6-6.4 ~11789=29, 3.0/11751=27...(14) HB3 ASP 35 - H VAL 77 far 0 98 0 - 8.2-19.4 Violated in 0 structures by 0.00 A. Peak 7038 from nnoeabs.peaks (3.13, 7.54, 116.56 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + H VAL 77 OK 100 100 100 100 2.6-4.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 7039 from nnoeabs.peaks (6.50, 7.54, 116.56 ppm; 5.48 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 76 + H VAL 77 OK 100 100 100 100 3.1-4.3 5.0=100 QE TYR 76 + H VAL 77 OK 57 57 100 99 5.1-6.0 ~7030=58, 2365/3.6=33...(19) Violated in 0 structures by 0.00 A. Peak 7040 from nnoeabs.peaks (6.47, 7.54, 116.56 ppm; 6.11 A): 2 out of 2 assignments used, quality = 1.00: * QE TYR 76 + H VAL 77 OK 100 100 100 100 5.1-6.0 11170/7043=73, ~7030=70...(20) QD TYR 76 + H VAL 77 OK 57 57 100 100 3.1-4.3 5.0=100 Violated in 0 structures by 0.00 A. Peak 7041 from nnoeabs.peaks (3.45, 7.54, 116.56 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 77 + H VAL 77 OK 100 100 100 100 2.7-2.8 3.0=100 HA ILE 129 - H VAL 77 far 0 93 0 - 7.9-10.2 HA LEU 42 - H VAL 77 far 0 63 0 - 8.9-11.9 HA VAL 126 - H VAL 77 far 0 93 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 7042 from nnoeabs.peaks (2.33, 7.54, 116.56 ppm; 3.17 A): 1 out of 2 assignments used, quality = 0.99: * HB VAL 77 + H VAL 77 OK 99 100 100 99 2.1-2.4 2388=73, 2.1/7043=64...(20) HG3 GLU 30 - H VAL 77 far 0 100 0 - 8.2-26.4 Violated in 0 structures by 0.00 A. Peak 7043 from nnoeabs.peaks (1.06, 7.54, 116.56 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 77 + H VAL 77 OK 100 100 100 100 2.4-3.0 2394=81, 2.1/7042=62...(25) QG2 VAL 133 - H VAL 77 far 0 83 0 - 6.5-9.1 Violated in 0 structures by 0.00 A. Peak 7044 from nnoeabs.peaks (1.18, 7.54, 116.56 ppm; 3.49 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 77 + H VAL 77 OK 100 100 100 100 3.5-3.7 2400=88, 2.1/7043=75...(23) QG2 THR 18 - H VAL 77 far 0 97 0 - 8.2-31.8 HG12 ILE 32 - H VAL 77 far 0 85 0 - 8.8-20.4 QB ALA 41 - H VAL 77 far 0 97 0 - 9.0-12.5 HG3 LYS 39 - H VAL 77 far 0 71 0 - 9.8-12.7 Violated in 19 structures by 0.10 A. Peak 7045 from nnoeabs.peaks (7.58, 7.54, 116.56 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 78 + H VAL 77 OK 100 100 100 100 2.7-2.8 4.5=100 H GLN 82 - H VAL 77 far 0 68 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 7046 from nnoeabs.peaks (7.58, 7.58, 116.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 78 + H ASP 78 OK 100 100 - 100 Peak 7047 from nnoeabs.peaks (8.04, 7.58, 116.40 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: H CYS 79 + H ASP 78 OK 100 100 100 100 2.4-2.7 7059=100, 7061/7055=43...(18) * H TYR 76 + H ASP 78 OK 95 100 100 95 3.9-4.5 7033=44, 9611/7052=39...(15) Violated in 0 structures by 0.00 A. Peak 7048 from nnoeabs.peaks (4.31, 7.58, 116.40 ppm; 4.46 A): 3 out of 5 assignments used, quality = 0.99: * HA TYR 76 + H ASP 78 OK 95 100 100 95 3.2-3.8 3.0/7033=59...(10) HA2 GLY 75 + H ASP 78 OK 82 99 100 83 4.5-5.5 3.5/7033=53...(6) HA SER 74 + H ASP 78 OK 32 81 50 80 5.3-6.5 9592/7052=51...(8) HA ALA 12 - H ASP 78 far 0 65 0 - 8.8-43.9 HA PRO 81 - H ASP 78 far 0 71 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 7049 from nnoeabs.peaks (7.54, 7.58, 116.40 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 77 + H ASP 78 OK 100 100 100 100 2.7-2.8 4.5=100 H GLN 82 - H ASP 78 far 0 95 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 7050 from nnoeabs.peaks (3.45, 7.58, 116.40 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 77 + H ASP 78 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7051 from nnoeabs.peaks (2.33, 7.58, 116.40 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 77 + H ASP 78 OK 100 100 100 100 3.7-3.9 2.1/7052=82, 2393=71...(22) HG3 GLU 30 - H ASP 78 far 0 100 0 - 7.9-28.8 Violated in 20 structures by 0.24 A. Peak 7052 from nnoeabs.peaks (1.06, 7.58, 116.40 ppm; 2.91 A): 1 out of 2 assignments used, quality = 0.99: * QG1 VAL 77 + H ASP 78 OK 99 100 100 99 2.2-2.7 2399=78, 2.1/7051=45...(22) QG2 VAL 133 - H ASP 78 far 0 83 0 - 7.4-10.4 Violated in 0 structures by 0.00 A. Peak 7053 from nnoeabs.peaks (1.18, 7.58, 116.40 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 77 + H ASP 78 OK 100 100 100 100 4.0-4.3 2.1/7052=87, 2405=72...(27) QG2 THR 18 - H ASP 78 far 0 97 0 - 7.6-33.8 HG12 ILE 32 - H ASP 78 far 0 85 0 - 8.9-22.7 Violated in 20 structures by 0.45 A. Peak 7054 from nnoeabs.peaks (4.38, 7.58, 116.40 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 78 + H ASP 78 OK 100 100 100 100 2.8-2.9 2.9=100 HA SER 9 - H ASP 78 far 0 97 0 - 5.2-47.7 HA CYS 73 - H ASP 78 far 0 100 0 - 6.0-6.7 HA SER 33 - H ASP 78 far 0 95 0 - 6.3-21.3 Violated in 0 structures by 0.00 A. Peak 7055 from nnoeabs.peaks (2.51, 7.58, 116.40 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.95: * HB2 ASP 78 + H ASP 78 OK 95 100 100 95 2.3-2.9 2411=65, 1.8/7056=64...(7) HG3 MET 11 - H ASP 78 far 0 97 0 - 8.8-43.1 Violated in 0 structures by 0.00 A. Peak 7056 from nnoeabs.peaks (2.74, 7.58, 116.40 ppm; 3.25 A): 1 out of 4 assignments used, quality = 0.98: * HB3 ASP 78 + H ASP 78 OK 98 100 100 98 2.2-3.0 1.8/7055=74, 2416=72...(11) HB2 TYR 76 - H ASP 78 far 8 81 10 - 4.7-5.5 HB2 CYS 73 - H ASP 78 far 0 97 0 - 7.3-9.1 HB3 ASP 35 - H ASP 78 far 0 96 0 - 8.1-20.8 Violated in 0 structures by 0.00 A. Peak 7057 from nnoeabs.peaks (8.04, 7.58, 116.40 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: * H CYS 79 + H ASP 78 OK 100 100 100 100 2.4-2.7 7059=100, 7061/7055=43...(18) H TYR 76 + H ASP 78 OK 95 100 100 95 3.9-4.5 7033=44, 9611/7052=39...(15) Violated in 0 structures by 0.00 A. Peak 7058 from nnoeabs.peaks (8.04, 8.04, 116.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 79 + H CYS 79 OK 100 100 - 100 Peak 7059 from nnoeabs.peaks (7.58, 8.04, 116.97 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.97: * H ASP 78 + H CYS 79 OK 97 100 100 97 2.4-2.7 7057=40, 7055/7061=36...(18) H GLN 82 - H CYS 79 far 0 68 0 - 7.9-10.0 Violated in 0 structures by 0.00 A. Peak 7060 from nnoeabs.peaks (4.38, 8.04, 116.97 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 78 + H CYS 79 OK 100 100 100 100 3.1-3.5 3.6=100 HA SER 33 - H CYS 79 far 0 95 0 - 6.7-21.9 HA CYS 73 - H CYS 79 far 0 100 0 - 6.8-7.6 HA SER 9 - H CYS 79 far 0 97 0 - 7.1-49.2 Violated in 0 structures by 0.00 A. Peak 7061 from nnoeabs.peaks (2.51, 8.04, 116.97 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 78 + H CYS 79 OK 100 100 100 100 2.8-4.2 4.3=98, 7055/7059=76...(8) HG3 MET 11 - H CYS 79 far 0 97 0 - 7.9-42.7 Violated in 1 structures by 0.00 A. Peak 7062 from nnoeabs.peaks (2.74, 8.04, 116.97 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASP 78 + H CYS 79 OK 100 100 100 100 3.7-4.2 4.3=100 HB2 TYR 76 + H CYS 79 OK 75 81 100 93 4.9-5.7 3.0/11162=41...(16) HB3 ASP 35 - H CYS 79 far 0 96 0 - 8.3-20.9 HB2 CYS 73 - H CYS 79 far 0 97 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 7063 from nnoeabs.peaks (4.11, 8.04, 116.97 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * HA CYS 79 + H CYS 79 OK 100 100 100 100 2.9-2.9 2.9=100 HA ILE 80 + H CYS 79 OK 83 85 100 98 4.1-4.5 3.0/7066=60, 3.0/9700=41...(24) HA PHE 89 - H CYS 79 far 0 83 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 7064 from nnoeabs.peaks (1.84, 8.04, 116.97 ppm; 3.72 A): 1 out of 3 assignments used, quality = 0.99: * HB2 CYS 79 + H CYS 79 OK 99 100 100 99 2.4-3.6 3.9=88, 1.8/7065=74...(9) HB ILE 32 - H CYS 79 far 0 81 0 - 8.9-22.1 HB VAL 93 - H CYS 79 far 0 97 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 7065 from nnoeabs.peaks (2.61, 8.04, 116.97 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.99: * HB3 CYS 79 + H CYS 79 OK 99 100 100 99 2.4-3.8 3.9=88, 1.8/7064=74...(10) Violated in 2 structures by 0.00 A. Peak 7066 from nnoeabs.peaks (6.96, 8.04, 116.97 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 80 + H CYS 79 OK 100 100 100 100 1.8-2.3 7068=92, 9680/7059=30...(14) Violated in 0 structures by 0.00 A. Peak 7067 from nnoeabs.peaks (6.96, 6.96, 123.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 80 + H ILE 80 OK 100 100 - 100 Peak 7068 from nnoeabs.peaks (8.04, 6.96, 123.17 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 79 + H ILE 80 OK 100 100 100 100 1.8-2.3 7066=100, 7059/9680=33...(14) H TYR 76 - H ILE 80 far 0 100 0 - 6.3-7.1 Violated in 0 structures by 0.00 A. Peak 7069 from nnoeabs.peaks (4.11, 6.96, 123.17 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HA CYS 79 + H ILE 80 OK 100 100 100 100 3.1-3.5 3.6=100 HA ILE 80 + H ILE 80 OK 85 85 100 100 2.7-2.8 3.0=100 HA PHE 89 - H ILE 80 far 0 83 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 7070 from nnoeabs.peaks (1.84, 6.96, 123.17 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 79 + H ILE 80 OK 100 100 100 100 2.9-4.1 4.4=100 HB3 ARG 135 - H ILE 80 far 0 81 0 - 8.7-14.1 HB VAL 93 - H ILE 80 far 0 97 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 7071 from nnoeabs.peaks (2.61, 6.96, 123.17 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 79 + H ILE 80 OK 100 100 100 100 3.9-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 7072 from nnoeabs.peaks (4.12, 6.96, 123.17 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 80 + H ILE 80 OK 100 100 100 100 2.7-2.8 3.0=100 HA CYS 79 + H ILE 80 OK 85 85 100 100 3.1-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7073 from nnoeabs.peaks (1.74, 6.96, 123.17 ppm; 3.30 A): 1 out of 6 assignments used, quality = 0.99: * HB ILE 80 + H ILE 80 OK 99 100 100 99 2.1-3.6 3.9=60, 3.0/7075=47...(18) HG3 ARG 90 - H ILE 80 far 0 100 0 - 6.2-10.5 HB2 LYS 39 - H ILE 80 far 0 73 0 - 6.5-11.8 HD3 LYS 39 - H ILE 80 far 0 73 0 - 7.2-11.6 HG13 ILE 129 - H ILE 80 far 0 99 0 - 9.3-12.1 HG2 ARG 135 - H ILE 80 far 0 65 0 - 9.7-14.4 Violated in 6 structures by 0.09 A. Peak 7074 from nnoeabs.peaks (0.81, 6.96, 123.17 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + H ILE 80 OK 100 100 100 100 1.8-3.5 4.0=79, 2.1/7073=77...(19) HG13 ILE 80 + H ILE 80 OK 97 97 100 100 2.7-4.2 1.8/7075=76, 2.1/7077=67...(15) QG1 VAL 133 - H ILE 80 far 0 76 0 - 5.4-8.1 QG2 ILE 129 - H ILE 80 far 0 99 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 7075 from nnoeabs.peaks (1.21, 6.96, 123.17 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.99: * HG12 ILE 80 + H ILE 80 OK 99 100 100 99 1.5-4.3 2.1/7077=64, 3.0/7073=60...(15) QG2 THR 83 - H ILE 80 far 0 60 0 - 7.2-8.8 Violated in 5 structures by 0.14 A. Peak 7076 from nnoeabs.peaks (0.82, 6.96, 123.17 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 80 + H ILE 80 OK 100 100 100 100 2.7-4.2 1.8/7075=81, 2.1/7077=73...(15) QG2 ILE 80 + H ILE 80 OK 97 97 100 100 1.8-3.5 4.0=91, 2.1/7073=82...(19) QG1 VAL 133 - H ILE 80 far 0 95 0 - 5.4-8.1 QG2 ILE 129 - H ILE 80 far 0 100 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 7077 from nnoeabs.peaks (0.27, 6.96, 123.17 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 80 + H ILE 80 OK 100 100 100 100 1.7-4.2 2471=80, 2.1/7075=72...(21) QG2 VAL 93 - H ILE 80 far 0 83 0 - 7.2-8.4 Violated in 10 structures by 0.19 A. Peak 7078 from nnoeabs.peaks (6.94, 6.94, 112.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 82 + HE21 GLN 82 OK 100 100 - 100 Peak 7079 from nnoeabs.peaks (2.44, 6.94, 112.44 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 82 + HE21 GLN 82 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 82 + HE21 GLN 82 OK 98 98 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7080 from nnoeabs.peaks (2.45, 6.94, 112.44 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 82 + HE21 GLN 82 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 GLN 82 + HE21 GLN 82 OK 98 98 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7081 from nnoeabs.peaks (7.64, 6.94, 112.44 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 82 + HE21 GLN 82 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7082 from nnoeabs.peaks (7.64, 7.64, 112.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 82 + HE22 GLN 82 OK 100 100 - 100 Peak 7083 from nnoeabs.peaks (2.44, 7.64, 112.44 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 82 + HE22 GLN 82 OK 100 100 100 100 2.1-3.5 3.5=100 HG3 GLN 82 + HE22 GLN 82 OK 98 98 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 7084 from nnoeabs.peaks (2.45, 7.64, 112.44 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 82 + HE22 GLN 82 OK 100 100 100 100 2.1-3.6 3.5=100 HG2 GLN 82 + HE22 GLN 82 OK 98 98 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 7085 from nnoeabs.peaks (6.94, 7.64, 112.44 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 82 + HE22 GLN 82 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7086 from nnoeabs.peaks (9.00, 9.00, 120.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * H ARG 84 + H ARG 84 OK 99 99 - 100 Peak 7087 from nnoeabs.peaks (3.75, 9.00, 120.08 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.99: * HA THR 83 + H ARG 84 OK 99 99 100 100 3.5-3.6 3.6=100 HA VAL 133 - H ARG 84 far 0 79 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 7088 from nnoeabs.peaks (4.17, 9.00, 120.08 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.99: * HB THR 83 + H ARG 84 OK 99 99 100 100 2.2-2.9 2516=96, 2.1/2520=60...(16) Violated in 0 structures by 0.00 A. Peak 7089 from nnoeabs.peaks (1.24, 9.00, 120.08 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: * QG2 THR 83 + H ARG 84 OK 99 99 100 100 3.4-3.8 2520=100, 2.1/7088=80...(13) HG12 ILE 80 - H ARG 84 far 0 58 0 - 6.7-9.8 Violated in 0 structures by 0.00 A. Peak 7090 from nnoeabs.peaks (4.25, 9.00, 120.08 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.99: * HA ARG 84 + H ARG 84 OK 99 99 100 100 2.7-2.7 2.8=100 HA PHE 87 - H ARG 84 far 0 87 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 7091 from nnoeabs.peaks (1.81, 9.00, 120.08 ppm; 3.37 A): 2 out of 3 assignments used, quality = 0.99: * HB2 ARG 84 + H ARG 84 OK 98 99 100 99 2.2-3.6 1.8/7092=73, 2533=67...(18) HB2 LYS 86 + H ARG 84 OK 69 92 90 84 4.3-5.0 11312/2520=37...(9) HB3 ARG 135 - H ARG 84 far 0 97 0 - 6.3-11.2 Violated in 6 structures by 0.03 A. Peak 7092 from nnoeabs.peaks (1.90, 9.00, 120.08 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.96: * HB3 ARG 84 + H ARG 84 OK 96 99 100 97 2.1-3.0 2542=71, 1.8/2533=55...(13) HB2 ARG 135 - H ARG 84 far 0 99 0 - 6.1-12.1 Violated in 0 structures by 0.00 A. Peak 7093 from nnoeabs.peaks (1.64, 9.00, 120.08 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + H ARG 84 OK 99 99 100 100 2.0-4.6 3.0/7092=72, 4.6=68...(22) HG3 ARG 84 + H ARG 84 OK 99 99 100 100 2.1-4.6 3.0/7092=72, 4.6=68...(21) HD3 LYS 86 - H ARG 84 poor 19 76 25 - 4.8-8.7 HD2 LYS 86 - H ARG 84 far 4 76 5 - 5.2-8.6 QB ALA 88 - H ARG 84 far 0 72 0 - 6.7-7.3 Violated in 1 structures by 0.00 A. Peak 7094 from nnoeabs.peaks (1.64, 9.00, 120.08 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 84 + H ARG 84 OK 99 99 100 100 2.0-4.6 3.0/7092=72, 4.6=68...(22) * HG3 ARG 84 + H ARG 84 OK 99 99 100 100 2.1-4.6 3.0/7092=72, 4.6=68...(21) HD3 LYS 86 - H ARG 84 poor 19 76 25 - 4.8-8.7 HD2 LYS 86 - H ARG 84 far 4 76 5 - 5.2-8.6 QB ALA 88 - H ARG 84 far 0 72 0 - 6.7-7.3 Violated in 1 structures by 0.00 A. Peak 7095 from nnoeabs.peaks (3.20, 9.00, 120.08 ppm; 5.30 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 84 + H ARG 84 OK 99 99 100 100 1.9-5.8 4.0/7092=85, 5.7=81...(20) HD3 ARG 84 + H ARG 84 OK 99 99 100 100 1.9-5.3 4.0/7092=85, 5.7=81...(20) HD3 ARG 90 - H ARG 84 far 0 61 0 - 8.7-12.4 HD2 ARG 90 - H ARG 84 far 0 66 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 7096 from nnoeabs.peaks (3.20, 9.00, 120.08 ppm; 5.30 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 84 + H ARG 84 OK 99 99 100 100 1.9-5.8 4.0/7092=85, 5.7=81...(20) * HD3 ARG 84 + H ARG 84 OK 99 99 100 100 1.9-5.3 4.0/7092=85, 5.7=81...(20) HD3 ARG 90 - H ARG 84 far 0 61 0 - 8.7-12.4 HD2 ARG 90 - H ARG 84 far 0 66 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 7097 from nnoeabs.peaks (7.27, 9.00, 120.08 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 85 + H ARG 84 OK 99 99 100 100 2.9-3.2 3.7=100 HE ARG 84 + H ARG 84 OK 34 89 40 97 2.7-6.9 5.1/7092=38...(16) HD21 ASN 85 - H ARG 84 poor 17 76 35 62 4.0-7.2 9797/9778=19...(12) QE PHE 87 - H ARG 84 far 5 99 5 - 5.0-9.6 Violated in 0 structures by 0.00 A. Peak 7098 from nnoeabs.peaks (8.34, 9.00, 120.08 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 86 + H ARG 84 OK 99 99 100 100 3.9-4.2 11241/2520=70...(11) Violated in 0 structures by 0.00 A. Peak 7099 from nnoeabs.peaks (7.27, 7.27, 117.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 85 + H ASN 85 OK 100 100 - 100 Peak 7100 from nnoeabs.peaks (3.75, 7.27, 117.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA THR 83 + H ASN 85 OK 100 100 100 100 4.2-5.1 2510/3.9=86, 3.0/9774=77...(15) HA VAL 133 + H ASN 85 OK 63 81 100 78 5.5-8.2 11929/5.3=41...(9) Violated in 0 structures by 0.00 A. Peak 7101 from nnoeabs.peaks (9.00, 7.27, 117.40 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + H ASN 85 OK 100 100 100 100 2.9-3.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 7102 from nnoeabs.peaks (4.25, 7.27, 117.40 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 84 + H ASN 85 OK 100 100 100 100 3.5-3.6 3.6=100 HA PHE 87 - H ASN 85 far 0 89 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 7103 from nnoeabs.peaks (1.81, 7.27, 117.40 ppm; 4.76 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + H ASN 85 OK 100 100 100 100 2.0-4.0 4.7=100 HB2 LYS 86 + H ASN 85 OK 87 93 100 94 4.4-5.2 4.0/7132=49, 7091/3.7=32...(15) HB3 ARG 135 + H ASN 85 OK 50 98 65 78 4.0-8.3 11659/10545=38...(8) Violated in 0 structures by 0.00 A. Peak 7104 from nnoeabs.peaks (1.90, 7.27, 117.40 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 84 + H ASN 85 OK 100 100 100 100 2.3-4.0 4.7=100 HB2 ARG 135 + H ASN 85 OK 56 100 70 80 4.1-9.3 11279/5.3=32...(8) HB2 ARG 90 - H ASN 85 far 0 98 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 7105 from nnoeabs.peaks (1.64, 7.27, 117.40 ppm; 5.86 A): 5 out of 5 assignments used, quality = 1.00: HG3 ARG 84 + H ASN 85 OK 99 100 100 99 1.8-4.7 7094/3.7=45, 3.0/2541=41...(21) * HG2 ARG 84 + H ASN 85 OK 99 100 100 99 1.7-4.9 7093/3.7=45, 3.0/2541=41...(20) QB ALA 88 + H ASN 85 OK 73 73 100 100 5.0-5.5 ~7174=63, 2750/2.9=62...(16) HD3 LYS 86 + H ASN 85 OK 40 78 60 86 5.3-8.5 5.6/7132=49, 3.5/7103=30...(11) HD2 LYS 86 + H ASN 85 OK 29 78 45 83 6.3-8.2 5.6/7132=49, 3.5/7103=30...(11) Violated in 0 structures by 0.00 A. Peak 7106 from nnoeabs.peaks (1.64, 7.27, 117.40 ppm; 5.86 A): 5 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + H ASN 85 OK 99 100 100 99 1.8-4.7 7094/3.7=45, 3.0/2541=41...(21) HG2 ARG 84 + H ASN 85 OK 99 100 100 99 1.7-4.9 7093/3.7=45, 3.0/2541=41...(20) QB ALA 88 + H ASN 85 OK 73 73 100 100 5.0-5.5 ~7174=63, 2750/2.9=62...(16) HD3 LYS 86 + H ASN 85 OK 40 78 60 86 5.3-8.5 5.6/7132=49, 3.5/7103=30...(11) HD2 LYS 86 + H ASN 85 OK 29 78 45 83 6.3-8.2 5.6/7132=49, 3.5/7103=30...(11) Violated in 0 structures by 0.00 A. Peak 7107 from nnoeabs.peaks (3.20, 7.27, 117.40 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 84 + H ASN 85 OK 99 100 100 99 1.9-5.1 2570/3.6=49, 2580/4.7=47...(11) HD3 ARG 84 + H ASN 85 OK 99 100 100 99 2.7-4.6 2579/3.6=49, 2580/4.7=47...(11) HD2 ARG 90 - H ASN 85 far 3 68 5 - 8.3-10.9 HD3 ARG 90 - H ASN 85 far 0 63 0 - 8.3-12.1 Violated in 0 structures by 0.00 A. Peak 7108 from nnoeabs.peaks (3.20, 7.27, 117.40 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 84 + H ASN 85 OK 99 100 100 99 1.9-5.1 2570/3.6=49, 2580/4.7=47...(11) * HD3 ARG 84 + H ASN 85 OK 99 100 100 99 2.7-4.6 2579/3.6=49, 2580/4.7=47...(11) HD2 ARG 90 - H ASN 85 far 3 68 5 - 8.3-10.9 HD3 ARG 90 - H ASN 85 far 0 63 0 - 8.3-12.1 Violated in 0 structures by 0.00 A. Peak 7109 from nnoeabs.peaks (4.81, 7.27, 117.40 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + H ASN 85 OK 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 7110 from nnoeabs.peaks (2.69, 7.27, 117.40 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + H ASN 85 OK 100 100 100 100 2.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7111 from nnoeabs.peaks (2.82, 7.27, 117.40 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + H ASN 85 OK 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7113 from nnoeabs.peaks (8.08, 7.27, 117.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + H ASN 85 OK 100 100 100 100 2.3-5.7 5.3=100 Violated in 0 structures by 0.00 A. Peak 7114 from nnoeabs.peaks (8.34, 7.27, 117.40 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + H ASN 85 OK 100 100 100 100 2.5-2.7 3.9=100 Violated in 0 structures by 0.00 A. Peak 7115 from nnoeabs.peaks (8.12, 7.27, 117.40 ppm; 6.37 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 87 + H ASN 85 OK 100 100 100 100 4.3-4.7 7154/3.9=96, 2530/3.6=93...(19) H VAL 133 + H ASN 85 OK 31 60 55 93 7.2-9.8 4.2/10545=85...(6) H GLU 91 - H ASN 85 far 0 98 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 7116 from nnoeabs.peaks (7.25, 7.25, 114.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 85 + HD21 ASN 85 OK 100 100 - 100 Peak 7118 from nnoeabs.peaks (4.81, 7.25, 114.49 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HD21 ASN 85 OK 100 100 100 100 3.8-5.3 4.5=100 Violated in 2 structures by 0.02 A. Peak 7119 from nnoeabs.peaks (2.69, 7.25, 114.49 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HD21 ASN 85 OK 100 100 100 100 2.8-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7120 from nnoeabs.peaks (2.82, 7.25, 114.49 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HD21 ASN 85 OK 100 100 100 100 2.1-4.0 3.5=100 Violated in 1 structures by 0.00 A. Peak 7121 from nnoeabs.peaks (8.08, 7.25, 114.49 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + HD21 ASN 85 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7122 from nnoeabs.peaks (8.08, 8.08, 114.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + HD22 ASN 85 OK 100 100 - 100 Peak 7124 from nnoeabs.peaks (4.81, 8.08, 114.49 ppm; 5.72 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HD22 ASN 85 OK 100 100 100 100 3.8-5.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 7125 from nnoeabs.peaks (2.69, 8.08, 114.49 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HD22 ASN 85 OK 100 100 100 100 2.2-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7126 from nnoeabs.peaks (2.82, 8.08, 114.49 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HD22 ASN 85 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 7127 from nnoeabs.peaks (7.25, 8.08, 114.49 ppm; 2.86 A): 2 out of 4 assignments used, quality = 1.00: * HD21 ASN 85 + HD22 ASN 85 OK 100 100 100 100 1.7-1.7 1.7=100 H ASN 85 + HD22 ASN 85 OK 34 78 95 45 2.3-5.7 5.3=16, 3.9/7137=10...(9) HE ARG 84 - HD22 ASN 85 far 0 99 0 - 4.4-10.4 QE PHE 87 - HD22 ASN 85 far 0 73 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 7128 from nnoeabs.peaks (8.34, 8.34, 124.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 86 + H LYS 86 OK 100 100 - 100 H LYS 19 + H LYS 19 OK 69 69 - 100 Peak 7129 from nnoeabs.peaks (3.75, 8.34, 124.24 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 83 + H LYS 86 OK 100 100 100 100 3.0-3.5 2510=75, 2517/11241=67...(20) HA VAL 133 - H LYS 86 poor 18 81 40 55 5.4-8.2 10590/11182=27...(6) Violated in 0 structures by 0.00 A. Peak 7130 from nnoeabs.peaks (9.00, 8.34, 124.24 ppm; 6.24 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + H LYS 86 OK 100 100 100 100 3.9-4.2 7098=100, 2520/11241=86...(11) Violated in 0 structures by 0.00 A. Peak 7131 from nnoeabs.peaks (4.25, 8.34, 124.24 ppm; 6.80 A): 3 out of 15 assignments used, quality = 1.00: * HA ARG 84 + H LYS 86 OK 100 100 100 100 4.0-4.4 2530/7154=96...(14) HA PHE 87 + H LYS 86 OK 89 89 100 100 5.2-5.5 2.9/7154=100...(12) HA LYS 19 + H LYS 19 OK 55 55 100 100 2.8-2.9 3.0=100 HA LEU 22 - H LYS 19 poor 19 53 35 - 7.0-10.3 HA ALA 16 - H LYS 19 poor 11 38 85 32 3.8-8.6 4.9/10699=13...(4) HA LYS 31 - H LYS 19 far 5 37 15 - 2.8-24.3 HA ALA 28 - H LYS 19 far 3 68 5 - 7.1-21.4 HA LYS 26 - H LYS 19 far 3 52 5 - 6.0-19.6 HA GLU 30 - H LYS 19 far 2 50 5 - 7.0-25.5 HB3 SER 38 - H LYS 19 far 2 44 5 - 6.5-35.9 HA LYS 36 - H LYS 19 far 2 40 5 - 5.5-35.2 HA ALA 108 - H LYS 19 far 2 37 5 - 7.7-50.1 HA ALA 109 - H LYS 19 far 0 37 0 - 8.7-52.2 HA ALA 29 - H LYS 19 far 0 55 0 - 9.4-23.0 HA ALA 34 - H LYS 19 far 0 48 0 - 9.4-31.4 Violated in 0 structures by 0.00 A. Peak 7132 from nnoeabs.peaks (7.27, 8.34, 124.24 ppm; 3.76 A): 2 out of 5 assignments used, quality = 0.98: * H ASN 85 + H LYS 86 OK 97 100 100 97 2.5-2.7 3.9=86, 3.7/7098=29...(19) HD21 ASN 85 + H LYS 86 OK 39 78 100 49 2.0-5.0 1.7/7137=29, 9802/9753=8...(8) HE ARG 84 - H LYS 86 far 0 90 0 - 5.6-7.8 HD2 HIS 10 - H LYS 19 far 0 72 0 - 6.0-18.5 QE PHE 87 - H LYS 86 far 0 100 0 - 6.1-8.6 Violated in 0 structures by 0.00 A. Peak 7133 from nnoeabs.peaks (4.81, 8.34, 124.24 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + H LYS 86 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7134 from nnoeabs.peaks (2.69, 8.34, 124.24 ppm; 5.53 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 85 + H LYS 86 OK 100 100 100 100 4.0-4.4 4.4=100 HB2 ASP 47 - H LYS 19 far 2 50 5 - 6.5-37.9 HB2 ASP 35 - H LYS 19 far 0 53 0 - 7.9-34.4 Violated in 0 structures by 0.00 A. Peak 7135 from nnoeabs.peaks (2.82, 8.34, 124.24 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + H LYS 86 OK 100 100 100 100 2.7-3.9 4.4=100 HB2 ASN 13 - H LYS 19 far 7 70 10 - 5.3-17.6 HB3 ASP 47 - H LYS 19 far 0 55 0 - 8.1-37.1 Violated in 0 structures by 0.00 A. Peak 7137 from nnoeabs.peaks (8.08, 8.34, 124.24 ppm; 4.69 A): 2 out of 5 assignments used, quality = 0.89: * HD22 ASN 85 + H LYS 86 OK 76 100 100 76 2.4-5.8 5.3/7132=34, 1.7/7132=27...(11) H VAL 20 + H LYS 19 OK 55 55 100 100 1.9-3.3 4.6=100 H THR 25 - H LYS 19 far 3 52 5 - 5.5-16.1 H ALA 108 - H LYS 19 far 0 73 0 - 8.4-48.6 H ALA 109 - H LYS 19 far 0 73 0 - 8.5-49.4 Violated in 0 structures by 0.00 A. Peak 7138 from nnoeabs.peaks (3.89, 8.34, 124.24 ppm; 4.21 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 86 + H LYS 86 OK 100 100 100 100 2.8-2.8 2.9=100 HB2 SER 60 - H LYS 19 far 0 52 0 - 7.3-37.1 HB3 SER 60 - H LYS 19 far 0 52 0 - 8.0-35.5 HA2 GLY 2 - H LYS 86 far 0 99 0 - 8.1-77.0 HB3 SER 50 - H LYS 19 far 0 73 0 - 8.5-38.1 HB2 SER 33 - H LYS 19 far 0 46 0 - 9.0-29.4 HA ALA 41 - H LYS 19 far 0 50 0 - 9.4-34.4 HA3 GLY 2 - H LYS 86 far 0 99 0 - 9.8-77.6 Violated in 0 structures by 0.00 A. Peak 7139 from nnoeabs.peaks (1.79, 8.34, 124.24 ppm; 3.92 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LYS 86 + H LYS 86 OK 100 100 100 100 2.1-2.7 4.0=96, 1.8/7140=77...(22) HB3 LYS 19 + H LYS 19 OK 58 58 100 100 3.5-4.0 3.9=99, 1.8/6149=49...(36) HB2 ARG 84 + H LYS 86 OK 47 93 70 72 4.3-5.8 3.9/7098=31, 4.7/7132=28...(13) HB3 LYS 24 - H LYS 19 poor 11 55 20 - 3.6-14.3 HB3 LYS 31 - H LYS 19 far 6 58 10 - 3.3-24.1 HB3 ARG 135 - H LYS 86 far 4 76 5 - 5.3-10.3 HB3 LYS 26 - H LYS 19 far 2 46 5 - 5.1-21.9 HB2 LYS 36 - H LYS 19 far 0 50 0 - 7.4-34.5 HB2 LEU 48 - H LYS 19 far 0 63 0 - 7.6-33.7 HB3 ARG 23 - H LYS 19 far 0 38 0 - 8.2-13.5 HB ILE 32 - H LYS 19 far 0 48 0 - 8.7-25.6 Violated in 0 structures by 0.00 A. Peak 7140 from nnoeabs.peaks (1.95, 8.34, 124.24 ppm; 3.84 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 86 + H LYS 86 OK 100 100 100 100 2.3-3.6 4.0=90, 3.0/7142=50...(19) HB3 PRO 81 - H LYS 86 far 10 97 10 - 5.2-8.3 HB ILE 37 - H LYS 19 far 0 64 0 - 5.4-31.6 HB2 GLU 30 - H LYS 19 far 0 73 0 - 5.5-25.0 HB3 ARG 90 - H LYS 86 far 0 100 0 - 6.3-8.9 HB2 PRO 58 - H LYS 19 far 0 71 0 - 7.2-38.3 HB2 GLN 27 - H LYS 19 far 0 68 0 - 7.8-21.9 Violated in 0 structures by 0.00 A. Peak 7141 from nnoeabs.peaks (1.42, 8.34, 124.24 ppm; 5.06 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 86 + H LYS 86 OK 100 100 100 100 3.4-4.6 4.5=100 HG3 LYS 19 + H LYS 19 OK 48 48 100 100 2.8-4.6 4.9=100 HG3 LYS 24 - H LYS 19 poor 18 44 40 - 4.0-16.3 QB ALA 16 - H LYS 19 poor 12 60 70 28 3.6-8.8 4.7/10699=8, 4.7/10699=8...(6) HG2 LYS 31 - H LYS 19 far 8 52 15 - 4.7-23.1 HG13 ILE 32 - H LYS 19 far 0 57 0 - 7.8-23.1 QB ALA 34 - H LYS 19 far 0 73 0 - 7.9-27.6 HG2 LYS 26 - H LYS 19 far 0 65 0 - 7.9-23.1 QB ALA 92 - H LYS 86 far 0 98 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 7142 from nnoeabs.peaks (1.47, 8.34, 124.24 ppm; 4.30 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 86 + H LYS 86 OK 100 100 100 100 2.4-4.5 4.5=90, 3.0/7140=70...(15) HG3 LYS 24 - H LYS 19 poor 9 37 25 - 4.0-16.3 HG3 LYS 36 - H LYS 19 far 3 70 5 - 5.6-32.6 QB ALA 52 - H LYS 19 far 0 72 0 - 6.6-28.2 Violated in 4 structures by 0.03 A. Peak 7143 from nnoeabs.peaks (1.66, 8.34, 124.24 ppm; 4.86 A): 7 out of 15 assignments used, quality = 1.00: HD3 LYS 86 + H LYS 86 OK 100 100 100 100 3.4-6.0 3.0/7142=76, 3.5/7140=75...(28) * HD2 LYS 86 + H LYS 86 OK 100 100 100 100 4.5-5.7 3.0/7142=76, 3.5/7140=75...(28) QB ALA 88 + H LYS 86 OK 99 100 100 99 4.9-5.4 2750/3.6=84, 9853/4.4=57...(13) HD2 LYS 19 + H LYS 19 OK 68 68 100 100 1.9-5.3 6.2=48, 3.9/6149=42...(76) HD3 LYS 19 + H LYS 19 OK 68 68 100 100 3.3-5.1 6.2=48, 3.9/6149=42...(76) HG2 ARG 84 + H LYS 86 OK 60 78 90 85 4.0-6.5 4.6/7098=45, 3.0/7139=19...(14) HG3 ARG 84 + H LYS 86 OK 57 78 85 85 3.9-6.6 4.6/7098=45, 2595/3.6=19...(16) HD3 LYS 24 - H LYS 19 poor 17 73 30 78 3.9-15.4 3.0/281=5, ~822=3...(69) HD2 LYS 24 - H LYS 19 poor 15 73 20 - 5.4-15.5 HD3 LYS 31 - H LYS 19 far 4 73 5 - 6.3-22.9 HD2 LYS 31 - H LYS 19 far 4 73 5 - 5.6-22.1 HD3 LYS 26 - H LYS 19 far 0 73 0 - 6.6-21.2 HD2 LYS 26 - H LYS 19 far 0 73 0 - 7.1-20.9 HD3 LYS 36 - H LYS 19 far 0 67 0 - 7.2-31.2 HD2 LYS 36 - H LYS 19 far 0 67 0 - 7.9-30.4 Violated in 0 structures by 0.00 A. Peak 7144 from nnoeabs.peaks (1.66, 8.34, 124.24 ppm; 4.86 A): 7 out of 15 assignments used, quality = 1.00: * HD3 LYS 86 + H LYS 86 OK 100 100 100 100 3.4-6.0 3.0/7142=76, 3.5/7140=75...(28) HD2 LYS 86 + H LYS 86 OK 100 100 100 100 4.5-5.7 3.0/7142=76, 3.5/7140=75...(28) QB ALA 88 + H LYS 86 OK 99 100 100 99 4.9-5.4 2750/3.6=84, 9853/4.4=57...(13) HD2 LYS 19 + H LYS 19 OK 68 68 100 100 1.9-5.3 6.2=48, 3.9/6149=42...(76) HD3 LYS 19 + H LYS 19 OK 68 68 100 100 3.3-5.1 6.2=48, 3.9/6149=42...(76) HG2 ARG 84 + H LYS 86 OK 60 78 90 85 4.0-6.5 4.6/7098=45, 3.0/7139=19...(14) HG3 ARG 84 + H LYS 86 OK 57 78 85 85 3.9-6.6 4.6/7098=45, 2595/3.6=19...(16) HD3 LYS 24 - H LYS 19 poor 17 73 30 78 3.9-15.4 3.0/281=5, ~822=3...(69) HD2 LYS 24 - H LYS 19 poor 15 73 20 - 5.4-15.5 HD3 LYS 31 - H LYS 19 far 4 73 5 - 6.3-22.9 HD2 LYS 31 - H LYS 19 far 4 73 5 - 5.6-22.1 HD3 LYS 26 - H LYS 19 far 0 73 0 - 6.6-21.2 HD2 LYS 26 - H LYS 19 far 0 73 0 - 7.1-20.9 HD3 LYS 36 - H LYS 19 far 0 67 0 - 7.2-31.2 HD2 LYS 36 - H LYS 19 far 0 67 0 - 7.9-30.4 Violated in 0 structures by 0.00 A. Peak 7147 from nnoeabs.peaks (8.12, 8.34, 124.24 ppm; 4.16 A): 1 out of 6 assignments used, quality = 1.00: * H PHE 87 + H LYS 86 OK 100 100 100 100 2.6-2.9 7154=100, 7157/7140=55...(22) H ALA 15 - H LYS 19 far 4 42 10 - 4.8-12.5 H THR 25 - H LYS 19 far 3 64 5 - 5.5-16.1 H ILE 32 - H LYS 19 far 0 46 0 - 6.2-23.8 H VAL 133 - H LYS 86 far 0 60 0 - 7.2-9.7 H GLU 91 - H LYS 86 far 0 98 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 7148 from nnoeabs.peaks (7.86, 8.34, 124.24 ppm; 6.09 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 88 + H LYS 86 OK 100 100 100 100 4.3-4.6 7170/7154=97...(16) Violated in 0 structures by 0.00 A. Peak 7149 from nnoeabs.peaks (8.12, 8.12, 118.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 87 + H PHE 87 OK 100 100 - 100 Peak 7150 from nnoeabs.peaks (3.75, 8.12, 118.33 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 83 + H PHE 87 OK 100 100 100 100 3.7-4.7 2517/11240=69...(18) HA VAL 133 - H PHE 87 far 0 81 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 7151 from nnoeabs.peaks (4.25, 8.12, 118.33 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 84 + H PHE 87 OK 98 100 100 98 3.6-4.1 2530=71, 9782/11240=31...(18) HA PHE 87 + H PHE 87 OK 89 89 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 7152 from nnoeabs.peaks (7.27, 8.12, 118.33 ppm; 5.31 A): 3 out of 4 assignments used, quality = 1.00: * H ASN 85 + H PHE 87 OK 100 100 100 100 4.3-4.7 3.9/7154=81, 3.6/2530=77...(17) QE PHE 87 + H PHE 87 OK 98 100 100 98 4.5-6.2 2719/2.9=76, 6.3=61...(7) HD21 ASN 85 + H PHE 87 OK 36 78 55 84 4.8-7.6 4.5/7153=50, 5.3/7115=29...(10) HE ARG 84 - H PHE 87 far 5 90 5 - 4.4-8.5 Violated in 0 structures by 0.00 A. Peak 7153 from nnoeabs.peaks (4.81, 8.12, 118.33 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + H PHE 87 OK 100 100 100 100 4.2-4.8 3.6/7154=92...(13) Violated in 0 structures by 0.00 A. Peak 7154 from nnoeabs.peaks (8.34, 8.12, 118.33 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 86 + H PHE 87 OK 99 100 100 99 2.6-2.9 7147=72, 7140/7157=44...(22) Violated in 0 structures by 0.00 A. Peak 7155 from nnoeabs.peaks (3.89, 8.12, 118.33 ppm; 4.70 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 86 + H PHE 87 OK 100 100 100 100 3.5-3.6 3.6=100 HA2 GLY 2 - H PHE 87 far 0 99 0 - 8.4-77.3 HA3 GLY 2 - H PHE 87 far 0 99 0 - 10.0-77.8 Violated in 0 structures by 0.00 A. Peak 7156 from nnoeabs.peaks (1.79, 8.12, 118.33 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + H PHE 87 OK 100 100 100 100 2.2-3.6 1.8/7157=75, 4.6=59...(25) HB2 ARG 84 - H PHE 87 far 0 93 0 - 5.4-6.2 HB3 ARG 135 - H PHE 87 far 0 76 0 - 7.7-12.4 Violated in 0 structures by 0.00 A. Peak 7157 from nnoeabs.peaks (1.95, 8.12, 118.33 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + H PHE 87 OK 100 100 100 100 2.5-4.0 1.8/7156=74, 2647=62...(29) HB3 ARG 90 - H PHE 87 far 15 100 15 - 4.9-7.4 HB3 PRO 81 - H PHE 87 far 0 97 0 - 8.0-10.9 Violated in 1 structures by 0.01 A. Peak 7158 from nnoeabs.peaks (1.42, 8.12, 118.33 ppm; 5.79 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 86 + H PHE 87 OK 100 100 100 100 3.7-5.2 3.0/7157=97, 3.0/7156=97...(25) QB ALA 92 - H PHE 87 far 0 98 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 7159 from nnoeabs.peaks (1.47, 8.12, 118.33 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + H PHE 87 OK 100 100 100 100 2.3-5.0 3.0/7156=100...(22) Violated in 0 structures by 0.00 A. Peak 7160 from nnoeabs.peaks (1.66, 8.12, 118.33 ppm; 4.40 A): 5 out of 5 assignments used, quality = 1.00: QB ALA 88 + H PHE 87 OK 100 100 100 100 4.3-4.6 7185/7170=80, 9851=50...(18) HD3 LYS 86 + H PHE 87 OK 99 100 100 99 4.7-5.8 3.5/7157=65, 3.5/7156=65...(32) * HD2 LYS 86 + H PHE 87 OK 35 100 35 100 3.9-6.5 3.5/7157=65, 3.5/7156=65...(32) HG3 ARG 84 + H PHE 87 OK 30 78 50 78 5.5-7.4 3.9/2530=53...(11) HG2 ARG 84 + H PHE 87 OK 21 78 35 77 5.4-7.0 3.9/2530=53...(10) Violated in 0 structures by 0.00 A. Peak 7161 from nnoeabs.peaks (1.66, 8.12, 118.33 ppm; 4.40 A): 5 out of 5 assignments used, quality = 1.00: QB ALA 88 + H PHE 87 OK 100 100 100 100 4.3-4.6 7185/7170=80, 9851=50...(18) * HD3 LYS 86 + H PHE 87 OK 99 100 100 99 4.7-5.8 3.5/7157=65, 3.5/7156=65...(32) HD2 LYS 86 + H PHE 87 OK 35 100 35 100 3.9-6.5 3.5/7157=65, 3.5/7156=65...(32) HG3 ARG 84 + H PHE 87 OK 30 78 50 78 5.5-7.4 3.9/2530=53...(11) HG2 ARG 84 + H PHE 87 OK 21 78 35 77 5.4-7.0 3.9/2530=53...(10) Violated in 0 structures by 0.00 A. Peak 7164 from nnoeabs.peaks (4.26, 8.12, 118.33 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 87 + H PHE 87 OK 100 100 100 100 2.7-2.8 2.9=100 HA ARG 84 + H PHE 87 OK 84 89 100 95 3.6-4.1 2530=51, 4.9/7150=25...(16) Violated in 0 structures by 0.00 A. Peak 7165 from nnoeabs.peaks (3.23, 8.12, 118.33 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.99: HB3 PHE 87 + H PHE 87 OK 93 100 100 94 2.1-2.8 4.0=63, 4.5/7170=32...(14) * HB2 PHE 87 + H PHE 87 OK 92 100 100 92 2.3-3.6 4.0=63, 4.5/7170=32...(13) HD3 ARG 135 - H PHE 87 far 0 100 0 - 7.5-11.4 Violated in 0 structures by 0.00 A. Peak 7166 from nnoeabs.peaks (3.23, 8.12, 118.33 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.99: * HB3 PHE 87 + H PHE 87 OK 93 100 100 93 2.1-2.8 4.0=63, 4.5/7170=32...(14) HB2 PHE 87 + H PHE 87 OK 92 100 100 92 2.3-3.6 4.0=63, 4.5/7170=32...(13) HD3 ARG 135 - H PHE 87 far 0 100 0 - 7.5-11.4 Violated in 0 structures by 0.00 A. Peak 7167 from nnoeabs.peaks (7.32, 8.12, 118.33 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 87 + H PHE 87 OK 100 100 100 100 2.3-4.2 4.2=100 H ARG 135 - H PHE 87 far 0 100 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 7168 from nnoeabs.peaks (7.27, 8.12, 118.33 ppm; 5.34 A): 3 out of 4 assignments used, quality = 1.00: H ASN 85 + H PHE 87 OK 100 100 100 100 4.3-4.7 3.9/7154=81, 3.6/2530=77...(17) * QE PHE 87 + H PHE 87 OK 98 100 100 98 4.5-6.2 2719/2.9=77, 6.3=62...(7) HD21 ASN 85 + H PHE 87 OK 34 73 55 84 4.8-7.6 4.5/7153=50, 5.3/7115=29...(10) HE ARG 84 - H PHE 87 far 4 87 5 - 4.4-8.5 Violated in 0 structures by 0.00 A. Peak 7170 from nnoeabs.peaks (7.86, 8.12, 118.33 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.97: * H ALA 88 + H PHE 87 OK 97 100 100 97 2.7-3.0 4.3=55, 7181/4.2=27...(21) Violated in 0 structures by 0.00 A. Peak 7171 from nnoeabs.peaks (8.69, 8.12, 118.33 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + H PHE 87 OK 100 100 100 100 3.8-4.0 7186/7170=86...(16) Violated in 0 structures by 0.00 A. Peak 7172 from nnoeabs.peaks (7.86, 7.86, 121.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 88 + H ALA 88 OK 100 100 - 100 H GLN 68 + H GLN 68 OK 79 79 - 100 Peak 7173 from nnoeabs.peaks (4.25, 7.86, 121.70 ppm; 4.23 A): 2 out of 13 assignments used, quality = 0.99: * HA ARG 84 + H ALA 88 OK 91 100 100 91 4.7-5.2 2530/7170=53...(12) HA PHE 87 + H ALA 88 OK 89 89 100 100 3.6-3.6 3.6=100 HA ALA 29 - H GLN 68 far 6 62 10 - 5.3-12.7 HA GLU 30 - H GLN 68 far 6 56 10 - 4.9-13.0 HA LYS 31 - H GLN 68 far 2 42 5 - 4.9-15.9 HA ALA 34 - H GLN 68 far 0 54 0 - 6.1-14.7 HA ALA 108 - H GLN 68 far 0 42 0 - 6.3-18.9 HA GLN 27 - H GLN 68 far 0 80 0 - 6.6-16.4 HA ALA 28 - H GLN 68 far 0 75 0 - 7.2-15.0 HA LEU 22 - H GLN 68 far 0 60 0 - 8.5-24.4 HA LYS 36 - H GLN 68 far 0 46 0 - 9.0-15.7 HA LYS 26 - H GLN 68 far 0 58 0 - 9.7-18.9 HB3 SER 38 - H GLN 68 far 0 50 0 - 10.0-16.7 Violated in 0 structures by 0.00 A. Peak 7174 from nnoeabs.peaks (4.81, 7.86, 121.70 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.99: * HA ASN 85 + H ALA 88 OK 99 100 100 99 3.4-3.8 2750/7185=74...(20) Violated in 0 structures by 0.00 A. Peak 7175 from nnoeabs.peaks (8.34, 7.86, 121.70 ppm; 5.24 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 86 + H ALA 88 OK 100 100 100 100 4.3-4.6 7154/7170=85...(16) H TYR 72 + H GLN 68 OK 61 64 100 96 6.2-6.6 ~6956=44, 6974/6937=43...(13) H LYS 24 - H GLN 68 far 0 42 0 - 7.7-21.5 H LYS 26 - H GLN 68 far 0 39 0 - 9.0-18.6 H ALA 28 - H GLN 68 far 0 72 0 - 9.1-15.0 Violated in 0 structures by 0.00 A. Peak 7177 from nnoeabs.peaks (8.12, 7.86, 121.70 ppm; 3.65 A): 3 out of 6 assignments used, quality = 1.00: * H PHE 87 + H ALA 88 OK 100 100 100 100 2.7-3.0 7170=100, 4.2/7181=29...(21) H GLU 91 + H ALA 88 OK 90 98 100 91 4.7-5.1 7227/2.9=43...(14) H ASP 71 + H GLN 68 OK 52 58 100 89 4.5-5.1 6956/2.9=33, 3.4/6937=31...(15) H ILE 32 - H GLN 68 far 0 52 0 - 6.2-12.8 H VAL 133 - H ALA 88 far 0 60 0 - 7.9-9.8 H THR 25 - H GLN 68 far 0 72 0 - 8.7-19.0 Violated in 0 structures by 0.00 A. Peak 7178 from nnoeabs.peaks (4.26, 7.86, 121.70 ppm; 5.87 A): 2 out of 13 assignments used, quality = 1.00: * HA PHE 87 + H ALA 88 OK 100 100 100 100 3.6-3.6 3.6=100 HA ARG 84 + H ALA 88 OK 88 89 100 99 4.7-5.2 4.9/7174=76...(12) HA ALA 108 - H GLN 68 poor 15 73 20 - 6.3-18.9 HA LYS 31 - H GLN 68 far 4 73 5 - 4.9-15.9 HA GLN 27 - H GLN 68 far 3 58 5 - 6.6-16.4 HA ALA 28 - H GLN 68 far 2 46 5 - 7.2-15.0 HA ALA 21 - H GLN 68 far 0 50 0 - 7.4-27.1 HA THR 25 - H GLN 68 far 0 48 0 - 8.0-19.0 HA GLN 61 - H GLN 68 far 0 67 0 - 8.1-8.9 HA LEU 22 - H GLN 68 far 0 80 0 - 8.5-24.4 HA LYS 36 - H GLN 68 far 0 75 0 - 9.0-15.7 HA ARG 23 - H GLN 68 far 0 58 0 - 9.3-21.3 HA LYS 26 - H GLN 68 far 0 80 0 - 9.7-18.9 Violated in 0 structures by 0.00 A. Peak 7179 from nnoeabs.peaks (3.23, 7.86, 121.70 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 87 + H ALA 88 OK 99 100 100 99 2.2-3.8 4.5=56, 4.0/7170=47...(27) HB3 PHE 87 + H ALA 88 OK 99 100 100 99 2.2-3.9 4.5=56, 4.0/7170=47...(27) HD3 ARG 135 - H ALA 88 far 0 100 0 - 6.2-9.9 Violated in 0 structures by 0.00 A. Peak 7180 from nnoeabs.peaks (3.23, 7.86, 121.70 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 87 + H ALA 88 OK 99 100 100 99 2.2-3.9 4.5=56, 4.0/7170=47...(28) HB2 PHE 87 + H ALA 88 OK 99 100 100 99 2.2-3.8 4.5=56, 4.0/7170=47...(27) HD3 ARG 135 - H ALA 88 far 0 100 0 - 6.2-9.9 Violated in 0 structures by 0.00 A. Peak 7181 from nnoeabs.peaks (7.32, 7.86, 121.70 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 87 + H ALA 88 OK 100 100 100 100 3.3-4.4 4.2/7170=69, 9849/2.9=54...(21) H ARG 135 - H ALA 88 far 0 100 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 7182 from nnoeabs.peaks (7.27, 7.86, 121.70 ppm; 5.43 A): 2 out of 4 assignments used, quality = 1.00: H ASN 85 + H ALA 88 OK 100 100 100 100 5.1-5.5 2.9/7174=93, ~2750=61...(15) * QE PHE 87 + H ALA 88 OK 100 100 100 100 5.2-6.5 2.2/7181=89, 2719/3.6=71...(14) HE ARG 84 - H ALA 88 poor 17 87 50 39 4.7-9.5 5.5/7173=29, ~9859=2...(5) HD21 ASN 85 - H ALA 88 poor 15 73 20 - 6.0-7.9 Violated in 0 structures by 0.00 A. Peak 7184 from nnoeabs.peaks (4.20, 7.86, 121.70 ppm; 3.70 A): 2 out of 8 assignments used, quality = 1.00: * HA ALA 88 + H ALA 88 OK 100 100 100 100 2.8-2.9 2.9=100 HA HIS 67 + H GLN 68 OK 70 70 100 100 3.5-3.6 3.6=100 HA GLU 30 - H GLN 68 far 3 56 5 - 4.9-13.0 HA ALA 29 - H GLN 68 far 0 50 0 - 5.3-12.7 HA ALA 34 - H GLN 68 far 0 58 0 - 6.1-14.7 HB THR 25 - H GLN 68 far 0 80 0 - 8.9-21.3 HA GLU 128 - H ALA 88 far 0 99 0 - 9.3-12.4 HB3 SER 38 - H GLN 68 far 0 62 0 - 10.0-16.7 Violated in 0 structures by 0.00 A. Peak 7185 from nnoeabs.peaks (1.66, 7.86, 121.70 ppm; 2.87 A): 1 out of 19 assignments used, quality = 0.97: * QB ALA 88 + H ALA 88 OK 97 100 100 97 2.1-2.2 3.0=87, 2750/7174=28...(18) HD2 LYS 31 - H GLN 68 far 4 81 5 - 3.9-16.4 HB2 LEU 69 - H GLN 68 far 0 77 0 - 4.5-6.6 HD3 LYS 31 - H GLN 68 far 0 81 0 - 4.6-15.5 HG2 ARG 84 - H ALA 88 far 0 73 0 - 4.9-8.0 HD2 LYS 36 - H GLN 68 far 0 76 0 - 4.9-12.3 HD3 LYS 36 - H GLN 68 far 0 76 0 - 5.0-13.4 HG3 ARG 84 - H ALA 88 far 0 73 0 - 5.2-7.8 HD2 LYS 86 - H ALA 88 far 0 100 0 - 6.5-8.8 HD3 LYS 86 - H ALA 88 far 0 100 0 - 7.4-8.3 HD2 LYS 24 - H GLN 68 far 0 81 0 - 7.7-24.4 HD3 LYS 24 - H GLN 68 far 0 81 0 - 8.7-23.2 HD2 LYS 26 - H GLN 68 far 0 81 0 - 8.8-21.5 HG LEU 62 - H GLN 68 far 0 72 0 - 9.0-10.9 HD3 LYS 26 - H GLN 68 far 0 80 0 - 9.4-20.8 HD3 LYS 95 - H ALA 88 far 0 100 0 - 9.6-13.0 HB2 LEU 123 - H GLN 68 far 0 74 0 - 9.6-13.9 HD2 LYS 95 - H ALA 88 far 0 99 0 - 9.8-13.5 HD3 LYS 19 - H GLN 68 far 0 73 0 - 9.9-31.4 Violated in 0 structures by 0.00 A. Peak 7186 from nnoeabs.peaks (8.69, 7.86, 121.70 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 89 + H ALA 88 OK 100 100 100 100 2.5-2.6 7193=95, 7195/7185=61...(16) H SER 50 - H GLN 68 far 0 46 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 7187 from nnoeabs.peaks (8.56, 7.86, 121.70 ppm; 5.53 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 90 + H ALA 88 OK 100 100 100 100 4.2-4.6 7209/7186=88...(13) H ALA 46 - H GLN 68 far 0 42 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 7188 from nnoeabs.peaks (8.69, 8.69, 120.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + H PHE 89 OK 100 100 - 100 Peak 7189 from nnoeabs.peaks (4.81, 8.69, 120.07 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.94: * HA ASN 85 + H PHE 89 OK 94 100 100 94 3.6-4.2 2750/7195=62...(7) Violated in 11 structures by 0.04 A. Peak 7190 from nnoeabs.peaks (3.89, 8.69, 120.07 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 86 + H PHE 89 OK 100 100 100 100 3.3-3.6 2621=84, 4.9/7189=58...(21) HB2 SER 94 - H PHE 89 far 0 92 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 7191 from nnoeabs.peaks (8.12, 8.69, 120.07 ppm; 5.97 A): 3 out of 3 assignments used, quality = 1.00: * H PHE 87 + H PHE 89 OK 100 100 100 100 3.8-4.0 7171=100, 7170/7186=96...(17) H GLU 91 + H PHE 89 OK 98 98 100 100 3.9-4.3 7228=97, 4.0/7209=91...(16) H VAL 133 + H PHE 89 OK 42 60 85 83 6.3-7.8 4.4/10551=53...(8) Violated in 0 structures by 0.00 A. Peak 7193 from nnoeabs.peaks (7.86, 8.69, 120.07 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 88 + H PHE 89 OK 100 100 100 100 2.5-2.6 7186=100, 7185/7195=63...(16) H GLU 128 - H PHE 89 far 0 65 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 7194 from nnoeabs.peaks (4.20, 8.69, 120.07 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + H PHE 89 OK 100 100 100 100 3.4-3.5 3.6=100 HA GLU 128 - H PHE 89 far 0 99 0 - 8.3-11.0 HA SER 94 - H PHE 89 far 0 60 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 7195 from nnoeabs.peaks (1.66, 8.69, 120.07 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * QB ALA 88 + H PHE 89 OK 100 100 100 100 2.8-3.0 3.7=86, 7185/7186=53...(17) HD2 LYS 86 - H PHE 89 far 0 100 0 - 6.3-8.1 HG3 ARG 84 - H PHE 89 far 0 73 0 - 6.4-9.0 HG2 ARG 84 - H PHE 89 far 0 73 0 - 6.4-9.1 HD3 LYS 86 - H PHE 89 far 0 100 0 - 6.7-7.9 HD2 LYS 95 - H PHE 89 far 0 99 0 - 8.8-12.9 HD3 LYS 95 - H PHE 89 far 0 100 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 7196 from nnoeabs.peaks (4.08, 8.69, 120.07 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 89 + H PHE 89 OK 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 7197 from nnoeabs.peaks (3.31, 8.69, 120.07 ppm; 3.93 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 89 + H PHE 89 OK 100 100 100 100 2.3-2.8 3.5=100 HB3 PHE 89 + H PHE 89 OK 85 85 100 100 2.3-2.8 3.5=100 HB3 CYS 73 - H PHE 89 far 0 99 0 - 7.8-10.6 Violated in 0 structures by 0.00 A. Peak 7198 from nnoeabs.peaks (3.33, 8.69, 120.07 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + H PHE 89 OK 100 100 100 100 2.3-2.8 3.5=100 HB2 PHE 89 + H PHE 89 OK 85 85 100 100 2.3-2.8 3.5=100 HB3 CYS 73 - H PHE 89 far 0 96 0 - 7.8-10.6 Violated in 0 structures by 0.00 A. Peak 7199 from nnoeabs.peaks (7.07, 8.69, 120.07 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 89 + H PHE 89 OK 100 100 100 100 4.1-4.2 4.2=100 HE ARG 135 - H PHE 89 far 0 93 0 - 6.8-10.6 Violated in 0 structures by 0.00 A. Peak 7202 from nnoeabs.peaks (8.56, 8.69, 120.07 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + H PHE 89 OK 100 100 100 100 2.6-2.9 7209=100, 7213/4.2=39...(20) Violated in 0 structures by 0.00 A. Peak 7203 from nnoeabs.peaks (8.13, 8.69, 120.07 ppm; 5.35 A): 3 out of 3 assignments used, quality = 1.00: * H GLU 91 + H PHE 89 OK 100 100 100 100 3.9-4.3 7228=97, 7230/7209=84...(16) H PHE 87 + H PHE 89 OK 98 98 100 100 3.8-4.0 7171=97, 7170/7186=85...(16) H VAL 133 + H PHE 89 OK 29 83 45 78 6.3-7.8 4.4/10551=45...(8) Violated in 0 structures by 0.00 A. Peak 7204 from nnoeabs.peaks (8.56, 8.56, 117.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + H ARG 90 OK 100 100 - 100 Peak 7205 from nnoeabs.peaks (3.89, 8.56, 117.97 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 86 + H ARG 90 OK 100 100 100 100 3.4-4.0 11193/11754=66...(18) HB2 SER 94 - H ARG 90 far 5 92 5 - 6.4-8.2 HA3 GLY 75 - H ARG 90 far 0 90 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 7206 from nnoeabs.peaks (4.26, 8.56, 117.97 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 87 + H ARG 90 OK 100 100 100 100 3.7-4.2 2722=69, 2723/3.8=55...(17) HA SER 74 - H ARG 90 far 0 68 0 - 6.7-8.2 HA ARG 84 - H ARG 90 far 0 89 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 7207 from nnoeabs.peaks (7.86, 8.56, 117.97 ppm; 6.51 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 88 + H ARG 90 OK 100 100 100 100 4.2-4.6 7187=100, 7186/7209=98...(13) Violated in 0 structures by 0.00 A. Peak 7208 from nnoeabs.peaks (4.20, 8.56, 117.97 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 88 + H ARG 90 OK 100 100 100 100 4.4-4.9 3.6/7209=100...(14) HA SER 94 - H ARG 90 far 3 60 5 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 7209 from nnoeabs.peaks (8.69, 8.56, 117.97 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + H ARG 90 OK 100 100 100 100 2.6-2.9 7202=84, 4.2/7213=35...(20) Violated in 0 structures by 0.00 A. Peak 7210 from nnoeabs.peaks (4.08, 8.56, 117.97 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + H ARG 90 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 74 - H ARG 90 far 0 87 0 - 8.6-10.1 HB3 SER 74 - H ARG 90 far 0 89 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 7211 from nnoeabs.peaks (3.31, 8.56, 117.97 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 89 + H ARG 90 OK 100 100 100 100 2.2-4.0 4.4=95, 2.7/7213=67...(15) HB3 PHE 89 + H ARG 90 OK 85 85 100 100 2.2-3.9 4.4=95, 2.7/7213=67...(14) HB3 CYS 73 - H ARG 90 far 0 99 0 - 6.9-9.4 Violated in 0 structures by 0.00 A. Peak 7212 from nnoeabs.peaks (3.33, 8.56, 117.97 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + H ARG 90 OK 100 100 100 100 2.2-3.9 4.4=95, 2.7/7213=67...(14) HB2 PHE 89 + H ARG 90 OK 85 85 100 100 2.2-4.0 4.4=95, 2.7/7213=67...(16) HB3 CYS 73 - H ARG 90 far 0 96 0 - 6.9-9.4 Violated in 0 structures by 0.00 A. Peak 7213 from nnoeabs.peaks (7.07, 8.56, 117.97 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 89 + H ARG 90 OK 100 100 100 100 2.4-3.9 5.0=67, 4.2/7209=56...(16) HE ARG 135 - H ARG 90 far 0 93 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 7216 from nnoeabs.peaks (3.79, 8.56, 117.97 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 90 + H ARG 90 OK 100 100 100 100 2.8-2.9 2.9=100 HA VAL 133 - H ARG 90 far 0 65 0 - 7.7-9.4 HA SER 130 - H ARG 90 far 0 96 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 7217 from nnoeabs.peaks (1.91, 8.56, 117.97 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 90 + H ARG 90 OK 100 100 100 100 2.5-3.6 3.8=100 HB2 LYS 95 - H ARG 90 far 0 73 0 - 9.0-10.9 HB3 ARG 84 - H ARG 90 far 0 98 0 - 9.7-10.5 HB3 LYS 95 - H ARG 90 far 0 65 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 7218 from nnoeabs.peaks (1.95, 8.56, 117.97 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 90 + H ARG 90 OK 100 100 100 100 2.1-3.6 3.8=92, 2.9/2823=49...(21) HB3 LYS 86 + H ARG 90 OK 61 100 70 88 4.7-6.1 3.0/7205=34...(15) HB2 LYS 95 - H ARG 90 far 0 93 0 - 9.0-10.9 HB3 LYS 95 - H ARG 90 far 0 97 0 - 9.9-11.6 HB3 PRO 81 - H ARG 90 far 0 99 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 7219 from nnoeabs.peaks (2.02, 8.56, 117.97 ppm; 3.45 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 90 + H ARG 90 OK 100 100 100 100 2.0-4.0 1.8/2823=52, 2787/2.9=49...(26) HB2 GLU 91 + H ARG 90 OK 48 63 100 77 4.3-4.9 4.0/7230=37, 4.6/7248=24...(14) HB3 GLU 91 - H ARG 90 far 0 97 0 - 5.6-6.2 HB ILE 129 - H ARG 90 far 0 83 0 - 7.5-8.7 HG2 PRO 81 - H ARG 90 far 0 73 0 - 7.8-11.1 HG3 PRO 81 - H ARG 90 far 0 60 0 - 8.8-11.0 HG3 ARG 135 - H ARG 90 far 0 97 0 - 9.2-12.0 HB3 GLU 30 - H ARG 90 far 0 100 0 - 9.4-29.6 Violated in 2 structures by 0.02 A. Peak 7220 from nnoeabs.peaks (1.73, 8.56, 117.97 ppm; 3.85 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 90 + H ARG 90 OK 100 100 100 100 1.9-4.4 2823=79, 2824/2.9=60...(28) HG13 ILE 129 + H ARG 90 OK 21 96 35 62 5.0-6.8 2788/2.9=19, ~10467=14...(9) HB ILE 80 - H ARG 90 far 0 100 0 - 6.0-7.4 HG2 ARG 135 - H ARG 90 far 0 78 0 - 9.5-13.7 Violated in 3 structures by 0.04 A. Peak 7221 from nnoeabs.peaks (3.17, 8.56, 117.97 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + H ARG 90 OK 100 100 100 100 3.0-4.8 3.0/2823=76, 3.0/7219=59...(27) HD3 ARG 90 + H ARG 90 OK 100 100 100 100 3.7-5.7 3.0/2823=76, 3.0/7219=59...(27) HD2 ARG 84 - H ARG 90 far 0 68 0 - 8.0-12.3 HD3 ARG 84 - H ARG 90 far 0 68 0 - 8.2-11.9 Violated in 0 structures by 0.00 A. Peak 7222 from nnoeabs.peaks (3.17, 8.56, 117.97 ppm; 5.09 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 90 + H ARG 90 OK 100 100 100 100 3.7-5.7 3.0/2823=83, 5.9=65...(27) HD2 ARG 90 + H ARG 90 OK 100 100 100 100 3.0-4.8 3.0/2823=83, 5.9=65...(27) HD2 ARG 84 - H ARG 90 far 0 63 0 - 8.0-12.3 HD3 ARG 84 - H ARG 90 far 0 63 0 - 8.2-11.9 Violated in 0 structures by 0.00 A. Peak 7223 from nnoeabs.peaks (8.13, 8.56, 117.97 ppm; 3.70 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 91 + H ARG 90 OK 100 100 100 100 2.6-2.9 7230=95, 7233/3.8=44...(25) H PHE 87 + H ARG 90 OK 93 98 100 94 4.6-4.9 2.9/7206=44, 3.6/7205=31...(18) H VAL 133 - H ARG 90 far 0 83 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 7224 from nnoeabs.peaks (7.82, 8.56, 117.97 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + H ARG 90 OK 100 100 100 100 4.2-4.6 7248=100, 7250/7230=87...(16) Violated in 0 structures by 0.00 A. Peak 7225 from nnoeabs.peaks (8.13, 8.13, 119.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + H GLU 91 OK 100 100 - 100 Peak 7226 from nnoeabs.peaks (4.26, 8.13, 119.27 ppm; 5.47 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 87 + H GLU 91 OK 100 100 100 100 4.0-4.5 7206/7230=76...(17) HA SER 74 - H GLU 91 far 0 68 0 - 7.8-9.1 HA ARG 84 - H GLU 91 far 0 89 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 7227 from nnoeabs.peaks (4.20, 8.13, 119.27 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 88 + H GLU 91 OK 100 100 100 100 3.5-3.7 2868/2869=60...(18) HA SER 94 - H GLU 91 far 0 60 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 7228 from nnoeabs.peaks (8.69, 8.13, 119.27 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + H GLU 91 OK 100 100 100 100 3.9-4.3 7209/7230=85...(16) Violated in 0 structures by 0.00 A. Peak 7229 from nnoeabs.peaks (4.08, 8.13, 119.27 ppm; 5.00 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + H GLU 91 OK 100 100 100 100 4.4-4.8 7247/7250=80...(9) HB2 SER 74 - H GLU 91 far 0 87 0 - 9.2-10.7 HB3 SER 74 - H GLU 91 far 0 89 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 7230 from nnoeabs.peaks (8.56, 8.13, 119.27 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + H GLU 91 OK 100 100 100 100 2.6-2.9 4.0=86, 3.8/7233=46...(25) Violated in 0 structures by 0.00 A. Peak 7231 from nnoeabs.peaks (3.79, 8.13, 119.27 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 90 + H GLU 91 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7232 from nnoeabs.peaks (1.91, 8.13, 119.27 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 90 + H GLU 91 OK 100 100 100 100 2.4-4.1 4.4=100 HB2 LYS 95 - H GLU 91 far 0 73 0 - 6.9-9.0 HB3 LYS 95 - H GLU 91 far 0 65 0 - 7.7-9.7 Violated in 0 structures by 0.00 A. Peak 7233 from nnoeabs.peaks (1.95, 8.13, 119.27 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.98: * HB3 ARG 90 + H GLU 91 OK 98 100 100 98 2.5-3.8 4.4=65, 3.8/7230=47...(25) HB3 LYS 86 - H GLU 91 far 0 100 0 - 6.6-8.5 HB2 LYS 95 - H GLU 91 far 0 93 0 - 6.9-9.0 HB3 LYS 95 - H GLU 91 far 0 97 0 - 7.7-9.7 Violated in 0 structures by 0.00 A. Peak 7234 from nnoeabs.peaks (2.02, 8.13, 119.27 ppm; 3.65 A): 3 out of 4 assignments used, quality = 1.00: HB3 GLU 91 + H GLU 91 OK 97 97 100 100 3.0-3.6 2869=82, 1.8/2861=70...(20) * HG2 ARG 90 + H GLU 91 OK 97 100 100 97 2.1-4.2 2.9/7233=54, 2787/3.6=46...(15) HB2 GLU 91 + H GLU 91 OK 63 63 100 100 2.1-2.6 4.0=77, 1.8/2869=68...(25) HB ILE 129 - H GLU 91 far 0 83 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 7235 from nnoeabs.peaks (1.73, 8.13, 119.27 ppm; 5.19 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 90 + H GLU 91 OK 100 100 100 100 1.8-4.9 2.9/7233=90, 2824/3.6=82...(19) HG13 ILE 129 + H GLU 91 OK 64 96 85 79 5.5-6.9 11317/9902=63...(5) HB ILE 80 - H GLU 91 far 0 100 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 7236 from nnoeabs.peaks (3.17, 8.13, 119.27 ppm; 6.24 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + H GLU 91 OK 100 100 100 100 3.7-6.1 3.8/7233=95, 5.9/7230=71...(16) HD3 ARG 90 + H GLU 91 OK 100 100 100 100 3.7-6.1 3.8/7233=95, 5.9/7230=71...(16) HD2 ARG 84 - H GLU 91 far 0 68 0 - 8.6-13.8 HD3 ARG 84 - H GLU 91 far 0 68 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 7237 from nnoeabs.peaks (3.17, 8.13, 119.27 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 90 + H GLU 91 OK 100 100 100 100 3.7-6.1 3.8/7233=99, 5.9/7230=81...(16) HD2 ARG 90 + H GLU 91 OK 100 100 100 100 3.7-6.1 3.8/7233=99, 5.9/7230=81...(16) HD2 ARG 84 - H GLU 91 far 0 63 0 - 8.6-13.8 HD3 ARG 84 - H GLU 91 far 0 63 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 7238 from nnoeabs.peaks (3.98, 8.13, 119.27 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 91 + H GLU 91 OK 100 100 100 100 2.7-2.8 2.9=100 HB3 SER 94 - H GLU 91 poor 20 99 20 - 4.9-6.6 Violated in 0 structures by 0.00 A. Peak 7239 from nnoeabs.peaks (1.99, 8.13, 119.27 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + H GLU 91 OK 100 100 100 100 2.1-2.6 2861=100, 1.8/2869=73...(28) HG2 ARG 90 + H GLU 91 OK 59 63 100 95 2.1-4.2 2.9/7233=58, 4.6/7230=37...(13) HB ILE 129 - H GLU 91 far 0 99 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 7240 from nnoeabs.peaks (2.03, 8.13, 119.27 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 91 + H GLU 91 OK 100 100 100 100 3.0-3.6 2869=100, 1.8/2861=78...(20) HG2 ARG 90 + H GLU 91 OK 96 97 100 98 2.1-4.2 2.9/7233=60, 2787/3.6=50...(16) Violated in 0 structures by 0.00 A. Peak 7241 from nnoeabs.peaks (2.23, 8.13, 119.27 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 91 + H GLU 91 OK 100 100 100 100 2.4-4.3 2876=95, 1.8/7242=70...(16) HB3 GLU 128 - H GLU 91 far 0 100 0 - 7.5-11.7 HB3 LEU 96 - H GLU 91 far 0 98 0 - 8.0-10.9 Violated in 16 structures by 0.35 A. Peak 7242 from nnoeabs.peaks (2.11, 8.13, 119.27 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 91 + H GLU 91 OK 100 100 100 100 2.7-4.0 2883=97, 1.8/7241=78...(19) HB2 GLU 128 - H GLU 91 far 0 63 0 - 7.5-10.4 HB2 GLU 97 - H GLU 91 far 0 60 0 - 9.7-11.8 Violated in 5 structures by 0.03 A. Peak 7243 from nnoeabs.peaks (7.82, 8.13, 119.27 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + H GLU 91 OK 100 100 100 100 2.7-2.9 7250=100, 7252/2861=43...(18) Violated in 0 structures by 0.00 A. Peak 7245 from nnoeabs.peaks (7.82, 7.82, 123.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + H ALA 92 OK 100 100 - 100 Peak 7246 from nnoeabs.peaks (4.20, 7.82, 123.43 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + H ALA 92 OK 100 100 100 100 3.7-4.3 2860/7252=65...(14) HA SER 94 - H ALA 92 far 0 60 0 - 6.7-7.2 HA GLU 128 - H ALA 92 far 0 99 0 - 7.4-10.4 Violated in 0 structures by 0.00 A. Peak 7247 from nnoeabs.peaks (4.08, 7.82, 123.43 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.99: * HA PHE 89 + H ALA 92 OK 99 100 100 99 3.6-4.0 2897/7257=68, 2763=40...(16) HB2 SER 74 - H ALA 92 far 0 87 0 - 9.1-10.9 HB3 SER 74 - H ALA 92 far 0 89 0 - 9.4-11.4 Violated in 8 structures by 0.02 A. Peak 7248 from nnoeabs.peaks (8.56, 7.82, 123.43 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + H ALA 92 OK 100 100 100 100 4.2-4.6 7230/7250=77, 7224=74...(16) Violated in 0 structures by 0.00 A. Peak 7249 from nnoeabs.peaks (3.79, 7.82, 123.43 ppm; 5.62 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 90 + H ALA 92 OK 100 100 100 100 4.3-4.8 3.6/7250=94, 9884=91...(16) HA SER 130 - H ALA 92 far 0 96 0 - 9.7-10.5 HA VAL 133 - H ALA 92 far 0 65 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7250 from nnoeabs.peaks (8.13, 7.82, 123.43 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + H ALA 92 OK 100 100 100 100 2.7-2.9 7243=84, 2861/7252=38...(18) H PHE 87 - H ALA 92 far 0 98 0 - 7.8-8.3 H VAL 133 - H ALA 92 far 0 83 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 7251 from nnoeabs.peaks (3.98, 7.82, 123.43 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 91 + H ALA 92 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 94 + H ALA 92 OK 38 99 55 70 5.0-6.2 3.6/7259=47...(6) HB2 SER 124 - H ALA 92 far 0 92 0 - 8.8-14.2 HA GLN 127 - H ALA 92 far 0 97 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 7252 from nnoeabs.peaks (1.99, 7.82, 123.43 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + H ALA 92 OK 100 100 100 100 2.3-3.4 2867=70, 1.8/2875=58...(25) HG2 ARG 90 - H ALA 92 poor 16 63 25 - 4.8-6.5 HB ILE 129 - H ALA 92 far 0 99 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 7253 from nnoeabs.peaks (2.03, 7.82, 123.43 ppm; 3.76 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 91 + H ALA 92 OK 100 100 100 100 2.5-4.1 2875=71, 1.8/2867=64...(21) HG2 ARG 90 + H ALA 92 OK 23 97 30 80 4.8-6.5 4.6/7248=29, 3.8/9884=29...(9) HB2 GLN 127 - H ALA 92 far 0 73 0 - 9.8-13.2 Violated in 15 structures by 0.10 A. Peak 7254 from nnoeabs.peaks (2.23, 7.82, 123.43 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 91 + H ALA 92 OK 100 100 100 100 2.5-4.7 2882=88, 3.0/7252=71...(24) HB3 GLU 128 - H ALA 92 far 5 100 5 - 4.8-9.1 HB3 LEU 96 - H ALA 92 far 0 98 0 - 5.7-8.9 Violated in 5 structures by 0.08 A. Peak 7255 from nnoeabs.peaks (2.11, 7.82, 123.43 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 91 + H ALA 92 OK 100 100 100 100 2.0-4.9 1.8/7254=79, 2889=75...(25) HB2 GLU 128 + H ALA 92 OK 22 63 35 100 4.8-7.9 ~10447=33, ~10446=33...(24) HB VAL 126 - H ALA 92 far 0 100 0 - 8.8-10.2 HB2 GLU 97 - H ALA 92 far 0 60 0 - 8.8-10.8 Violated in 2 structures by 0.01 A. Peak 7256 from nnoeabs.peaks (4.05, 7.82, 123.43 ppm; 3.57 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 92 + H ALA 92 OK 100 100 100 100 2.8-2.9 2.9=100 HA LYS 95 - H ALA 92 far 0 63 0 - 7.5-7.9 HA LEU 96 - H ALA 92 far 0 99 0 - 7.7-9.1 HA LEU 122 - H ALA 92 far 0 100 0 - 8.1-11.4 HB2 SER 74 - H ALA 92 far 0 83 0 - 9.1-10.9 HB3 SER 74 - H ALA 92 far 0 81 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 7257 from nnoeabs.peaks (1.43, 7.82, 123.43 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 92 + H ALA 92 OK 100 100 100 100 2.0-2.2 3.0=95, 7267/7258=30...(23) HG2 LYS 86 - H ALA 92 far 0 98 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 7258 from nnoeabs.peaks (8.43, 7.82, 123.43 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 93 + H ALA 92 OK 99 100 100 99 2.5-2.7 7265=69, 7267/7257=49...(19) H SER 74 - H ALA 92 far 0 63 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 7259 from nnoeabs.peaks (7.99, 7.82, 123.43 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + H ALA 92 OK 100 100 100 100 3.9-4.6 7277=81, 7279/7258=70...(23) H ILE 129 - H ALA 92 far 0 97 0 - 6.0-7.8 Violated in 4 structures by 0.03 A. Peak 7260 from nnoeabs.peaks (8.43, 8.43, 119.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 93 + H VAL 93 OK 100 100 - 100 Peak 7261 from nnoeabs.peaks (4.08, 8.43, 119.94 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HA PHE 89 + H VAL 93 OK 100 100 100 100 3.9-4.8 2897/7267=100...(8) HB2 SER 74 + H VAL 93 OK 65 87 95 79 6.6-8.3 11421/3.9=48...(9) HB3 SER 74 + H VAL 93 OK 37 89 55 76 6.8-8.9 11421/3.9=45...(7) Violated in 0 structures by 0.00 A. Peak 7262 from nnoeabs.peaks (3.79, 8.43, 119.94 ppm; 4.66 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 90 + H VAL 93 OK 100 100 100 100 3.2-3.6 2792=100, 9953/7270=76...(14) HA SER 130 - H VAL 93 far 0 96 0 - 9.1-10.2 HB2 SER 130 - H VAL 93 far 0 63 0 - 9.5-10.6 HB3 SER 130 - H VAL 93 far 0 83 0 - 9.5-11.7 HA VAL 133 - H VAL 93 far 0 65 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 7263 from nnoeabs.peaks (8.13, 8.43, 119.94 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + H VAL 93 OK 100 100 100 100 3.9-4.3 7250/7258=81...(11) H VAL 133 - H VAL 93 far 0 83 0 - 8.6-10.5 H PHE 87 - H VAL 93 far 0 98 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 7264 from nnoeabs.peaks (3.98, 8.43, 119.94 ppm; 5.39 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 91 + H VAL 93 OK 100 100 100 100 4.0-4.7 3.6/7258=91, 2.9/7263=82...(10) HB3 SER 94 + H VAL 93 OK 95 99 100 97 4.4-5.4 3.6/7279=89, 4.4/7273=54...(5) HB3 SER 99 - H VAL 93 far 0 71 0 - 9.4-11.8 HA GLN 127 - H VAL 93 far 0 97 0 - 9.5-10.9 HB2 SER 124 - H VAL 93 far 0 92 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 7265 from nnoeabs.peaks (7.82, 8.43, 119.94 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + H VAL 93 OK 100 100 100 100 2.5-2.7 7258=100, 7257/7267=62...(19) Violated in 0 structures by 0.00 A. Peak 7266 from nnoeabs.peaks (4.05, 8.43, 119.94 ppm; 5.09 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 92 + H VAL 93 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 96 - H VAL 93 far 15 99 15 - 6.5-7.5 HB2 SER 74 - H VAL 93 far 4 83 5 - 6.6-8.3 HA LYS 95 - H VAL 93 far 0 63 0 - 6.7-7.1 HB3 SER 74 - H VAL 93 far 0 81 0 - 6.8-8.9 HA LEU 122 - H VAL 93 far 0 100 0 - 7.3-10.2 Violated in 0 structures by 0.00 A. Peak 7267 from nnoeabs.peaks (1.43, 8.43, 119.94 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 92 + H VAL 93 OK 100 100 100 100 2.5-2.9 3.7=99, 7257/7258=63...(21) HG2 LYS 86 - H VAL 93 far 0 98 0 - 8.8-10.6 QB ALA 34 - H VAL 93 far 0 97 0 - 9.6-18.6 Violated in 0 structures by 0.00 A. Peak 7268 from nnoeabs.peaks (3.25, 8.43, 119.94 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 93 + H VAL 93 OK 100 100 100 100 2.8-2.9 2.9=100 HB2 PHE 87 - H VAL 93 far 0 81 0 - 8.9-10.2 HB3 PHE 87 - H VAL 93 far 0 89 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 7269 from nnoeabs.peaks (1.83, 8.43, 119.94 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 93 + H VAL 93 OK 100 100 100 100 2.2-3.5 2.1/7270=74, 4.0=73...(12) HB2 LEU 100 - H VAL 93 far 0 99 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 7270 from nnoeabs.peaks (0.29, 8.43, 119.94 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 93 + H VAL 93 OK 100 100 100 100 2.1-2.9 3.9=63, 2.1/7269=58...(18) QD1 ILE 80 - H VAL 93 far 0 83 0 - 6.1-9.1 Violated in 0 structures by 0.00 A. Peak 7271 from nnoeabs.peaks (0.75, 8.43, 119.94 ppm; 3.70 A): 4 out of 7 assignments used, quality = 1.00: * QG1 VAL 93 + H VAL 93 OK 100 100 100 100 1.6-3.8 3.9=83, 2.1/7270=78...(15) HG12 ILE 129 + H VAL 93 OK 97 100 100 97 2.7-4.5 2.1/9965=44...(15) QD2 LEU 96 + H VAL 93 OK 96 100 100 96 3.1-4.8 11806/2.9=47...(23) QD1 LEU 96 + H VAL 93 OK 52 78 70 95 4.0-6.3 ~11806=28, ~11691=26...(28) QD1 ILE 32 - H VAL 93 far 0 65 0 - 8.3-17.2 QD2 LEU 43 - H VAL 93 far 0 100 0 - 9.7-11.1 QD1 ILE 37 - H VAL 93 far 0 60 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 7272 from nnoeabs.peaks (7.99, 8.43, 119.94 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + H VAL 93 OK 100 100 100 100 2.4-2.8 3.6=100 H ILE 129 - H VAL 93 far 0 97 0 - 5.7-7.4 Violated in 0 structures by 0.00 A. Peak 7273 from nnoeabs.peaks (7.71, 8.43, 119.94 ppm; 5.52 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 95 + H VAL 93 OK 100 100 100 100 3.8-4.2 7292=99, 3.4/7279=94...(18) Violated in 0 structures by 0.00 A. Peak 7274 from nnoeabs.peaks (7.99, 7.99, 115.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + H SER 94 OK 100 100 - 100 H SER 51 + H SER 51 OK 91 91 - 100 Peak 7275 from nnoeabs.peaks (3.79, 7.99, 115.96 ppm; 4.50 A): 1 out of 6 assignments used, quality = 1.00: * HA ARG 90 + H SER 94 OK 100 100 100 100 3.8-4.9 2793/7281=67...(12) HB2 SER 9 - H SER 51 far 0 89 0 - 6.9-48.3 HB2 SER 130 - H SER 51 far 0 54 0 - 7.9-11.5 HB3 SER 130 - H SER 51 far 0 73 0 - 8.0-11.2 HB3 SER 9 - H SER 51 far 0 88 0 - 8.3-48.3 HA LEU 43 - H SER 51 far 0 85 0 - 9.3-10.9 Violated in 5 structures by 0.04 A. Peak 7276 from nnoeabs.peaks (3.98, 7.99, 115.96 ppm; 3.49 A): 4 out of 10 assignments used, quality = 1.00: HB3 SER 51 + H SER 51 OK 92 94 100 98 2.1-3.0 3.8=75, 1.8/1616=71...(13) HB3 SER 94 + H SER 94 OK 92 99 100 93 2.2-3.0 3.6=88, 7290/3.4=21...(6) * HA GLU 91 + H SER 94 OK 90 100 100 90 3.4-3.8 3.6/7259=36, 2857=32...(11) HA SER 50 + H SER 51 OK 80 81 100 99 3.5-3.5 3.6=94, 3.0/1601=26...(16) HA2 GLY 17 - H SER 51 far 0 75 0 - 5.3-33.9 HA GLN 127 - H SER 51 far 0 88 0 - 6.6-9.5 HA3 GLY 17 - H SER 51 far 0 75 0 - 6.8-33.8 HA VAL 20 - H SER 51 far 0 89 0 - 7.4-33.2 HB3 SER 99 - H SER 94 far 0 71 0 - 8.5-11.1 HA THR 65 - H SER 51 far 0 89 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 7277 from nnoeabs.peaks (7.82, 7.99, 115.96 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + H SER 94 OK 100 100 100 100 3.9-4.6 7259=100, 7258/7279=77...(23) Violated in 1 structures by 0.00 A. Peak 7278 from nnoeabs.peaks (4.05, 7.99, 115.96 ppm; 4.99 A): 2 out of 9 assignments used, quality = 1.00: * HA ALA 92 + H SER 94 OK 100 100 100 100 4.0-4.8 3.6/7279=83, 2.9/7259=80...(19) HA LYS 95 + H SER 94 OK 60 63 100 95 5.1-5.4 3.6/7288=43, 3963/2.9=33...(15) HB2 SER 74 - H SER 94 poor 17 83 20 - 6.3-7.7 HA LEU 96 - H SER 94 far 5 99 5 - 6.4-7.2 HB3 SER 74 - H SER 94 far 0 81 0 - 6.5-8.8 HB THR 65 - H SER 51 far 0 77 0 - 6.7-10.2 HA LEU 122 - H SER 94 far 0 100 0 - 7.4-9.8 HA GLU 44 - H SER 51 far 0 94 0 - 8.1-9.1 HA LEU 119 - H SER 51 far 0 69 0 - 8.6-15.8 Violated in 0 structures by 0.00 A. Peak 7279 from nnoeabs.peaks (8.43, 7.99, 115.96 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 93 + H SER 94 OK 100 100 100 100 2.4-2.8 3.6=87, 7269/7281=45...(19) H ASP 47 - H SER 51 far 0 66 0 - 5.9-6.5 H SER 74 - H SER 94 far 0 63 0 - 6.9-8.2 Violated in 0 structures by 0.00 A. Peak 7280 from nnoeabs.peaks (3.25, 7.99, 115.96 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 93 + H SER 94 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 HIS 5 - H SER 51 far 0 75 0 - 8.3-59.5 HB3 HIS 4 - H SER 51 far 0 75 0 - 8.7-65.4 Violated in 0 structures by 0.00 A. Peak 7281 from nnoeabs.peaks (1.83, 7.99, 115.96 ppm; 3.54 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 93 + H SER 94 OK 100 100 100 100 2.4-4.1 2.1/7282=59, 2.1/2929=56...(24) HB3 LYS 26 - H SER 51 far 0 90 0 - 6.3-27.3 HB3 LYS 19 - H SER 51 far 0 81 0 - 6.6-37.0 HB3 ARG 23 - H SER 51 far 0 93 0 - 6.8-29.7 HB3 LEU 123 - H SER 51 far 0 78 0 - 7.4-10.4 HB3 LYS 24 - H SER 51 far 0 84 0 - 7.9-28.8 HB2 LEU 100 - H SER 94 far 0 99 0 - 9.2-10.4 Violated in 1 structures by 0.03 A. Peak 7282 from nnoeabs.peaks (0.29, 7.99, 115.96 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 93 + H SER 94 OK 100 100 100 100 2.1-4.2 2.1/7281=77, 4.3=71...(34) QD1 ILE 80 - H SER 94 far 0 83 0 - 7.7-10.3 Violated in 17 structures by 0.11 A. Peak 7283 from nnoeabs.peaks (0.75, 7.99, 115.96 ppm; 3.54 A): 3 out of 9 assignments used, quality = 1.00: * QG1 VAL 93 + H SER 94 OK 100 100 100 100 2.8-4.0 2929=70, 2.1/7281=67...(21) QD2 LEU 96 + H SER 94 OK 87 100 95 91 3.5-5.1 11806/3.6=37...(26) QD1 LEU 96 + H SER 94 OK 39 78 60 82 4.5-6.4 4.6/7288=17...(25) HG12 ILE 129 - H SER 94 far 0 100 0 - 5.2-6.9 QD2 LEU 43 - H SER 51 far 0 93 0 - 7.9-11.5 QD1 ILE 32 - H SER 94 far 0 65 0 - 8.0-17.3 QD1 ILE 32 - H SER 51 far 0 57 0 - 8.5-16.3 QD1 ILE 37 - H SER 51 far 0 52 0 - 9.7-16.8 QD2 LEU 103 - H SER 51 far 0 90 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 7284 from nnoeabs.peaks (4.23, 7.99, 115.96 ppm; 3.42 A): 2 out of 10 assignments used, quality = 1.00: * HA SER 94 + H SER 94 OK 100 100 100 100 2.7-2.9 2.9=100 HA SER 51 + H SER 51 OK 81 81 100 100 2.8-2.9 3.0=100 HA GLN 27 - H SER 51 far 0 88 0 - 5.9-27.3 HA ALA 28 - H SER 94 far 0 100 0 - 6.5-25.8 HA ALA 88 - H SER 94 far 0 60 0 - 7.3-8.1 HA SER 124 - H SER 51 far 0 91 0 - 8.1-11.3 HA ALA 28 - H SER 51 far 0 93 0 - 8.2-25.0 HA GLU 30 - H SER 94 far 0 99 0 - 8.7-25.1 HA ALA 29 - H SER 51 far 0 93 0 - 9.0-22.3 HA GLN 27 - H SER 94 far 0 97 0 - 10.0-28.0 Violated in 0 structures by 0.00 A. Peak 7285 from nnoeabs.peaks (3.90, 7.99, 115.96 ppm; 3.85 A): 2 out of 8 assignments used, quality = 1.00: * HB2 SER 94 + H SER 94 OK 100 100 100 100 2.2-3.0 3.6=100 HB3 SER 50 + H SER 51 OK 81 84 100 97 2.6-3.7 4.7=57, 1.8/1601=41...(26) HA2 GLY 2 - H SER 51 far 5 90 5 - 4.8-70.8 HA3 GLY 2 - H SER 51 far 0 90 0 - 6.2-71.1 HA ALA 46 - H SER 51 far 0 92 0 - 6.3-7.2 HA LEU 70 - H SER 94 far 0 81 0 - 7.4-8.7 HA LYS 86 - H SER 94 far 0 92 0 - 9.2-10.3 HA3 GLY 75 - H SER 94 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7286 from nnoeabs.peaks (3.97, 7.99, 115.96 ppm; 3.50 A): 5 out of 10 assignments used, quality = 1.00: * HB3 SER 94 + H SER 94 OK 94 100 100 94 2.2-3.0 3.6=89, 7297/3.4=22...(6) HB3 SER 51 + H SER 51 OK 88 90 100 98 2.1-3.0 3.8=75, 1.8/1616=71...(13) HA GLU 91 + H SER 94 OK 88 99 100 90 3.4-3.8 3.6/7259=36, 2857=32...(11) HA SER 50 + H SER 51 OK 64 64 100 99 3.5-3.5 3.6=95, 3.0/1601=27...(16) HB2 SER 51 + H SER 51 OK 45 49 100 91 2.2-3.2 3.8=75, 1620/3.1=20...(10) HA2 GLY 17 - H SER 51 far 0 88 0 - 5.3-33.9 HA GLN 127 - H SER 51 far 0 94 0 - 6.6-9.5 HA3 GLY 17 - H SER 51 far 0 88 0 - 6.8-33.8 HA VAL 20 - H SER 51 far 0 77 0 - 7.4-33.2 HA THR 65 - H SER 51 far 0 94 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 7287 from nnoeabs.peaks (7.71, 7.99, 115.96 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + H SER 94 OK 100 100 100 100 2.4-2.8 3.4=100 H LEU 53 + H SER 51 OK 85 90 100 95 3.5-4.1 6658=47, 9219/1616=38...(19) H GLN 101 - H SER 94 far 0 65 0 - 9.3-10.4 H CYS 45 - H SER 51 far 0 77 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 7288 from nnoeabs.peaks (8.27, 7.99, 115.96 ppm; 4.59 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 96 + H SER 94 OK 99 100 100 99 3.7-4.5 7311/3.6=63...(20) H LEU 49 + H SER 51 OK 54 54 100 99 4.0-4.5 6610=48, 3.6/1491=35...(24) H ALA 29 - H SER 94 far 0 68 0 - 7.3-24.3 H VAL 126 - H SER 94 far 0 90 0 - 7.8-9.3 H SER 99 - H SER 94 far 0 89 0 - 7.9-8.9 H ALA 29 - H SER 51 far 0 59 0 - 8.5-23.8 H GLU 30 - H SER 94 far 0 96 0 - 8.6-24.8 H ARG 23 - H SER 51 far 0 52 0 - 8.9-28.3 H LEU 123 - H SER 51 far 0 82 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 7289 from nnoeabs.peaks (7.71, 7.71, 121.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 95 + H LYS 95 OK 100 100 - 100 Peak 7290 from nnoeabs.peaks (3.98, 7.71, 121.43 ppm; 4.02 A): 2 out of 5 assignments used, quality = 0.98: HB3 SER 94 + H LYS 95 OK 89 99 100 90 2.8-3.3 4.4=76, ~7313=18...(9) * HA GLU 91 + H LYS 95 OK 82 100 100 82 4.5-5.2 4.9/2894=33, 2857/3.4=30...(9) HB3 SER 99 - H LYS 95 far 0 71 0 - 6.2-8.8 HB2 SER 124 - H LYS 95 far 0 92 0 - 8.5-12.4 HA LEU 100 - H LYS 95 far 0 85 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 7291 from nnoeabs.peaks (4.05, 7.71, 121.43 ppm; 4.27 A): 3 out of 7 assignments used, quality = 1.00: * HA ALA 92 + H LYS 95 OK 100 100 100 100 3.2-3.8 2894=80, 3.6/7273=38...(25) HA LEU 96 + H LYS 95 OK 95 99 100 96 4.7-5.1 3.6/7308=45, 3.0/9975=28...(28) HA LYS 95 + H LYS 95 OK 63 63 100 100 2.9-2.9 2.9=100 HA LEU 122 - H LYS 95 far 5 100 5 - 5.3-7.7 HB2 SER 74 - H LYS 95 far 0 83 0 - 7.4-9.1 HB3 SER 74 - H LYS 95 far 0 81 0 - 7.7-10.2 HB3 SER 124 - H LYS 95 far 0 87 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 7292 from nnoeabs.peaks (8.43, 7.71, 121.43 ppm; 5.53 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 93 + H LYS 95 OK 100 100 100 100 3.8-4.2 7273=100, 7279/3.4=94...(18) H SER 74 - H LYS 95 far 0 63 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 7293 from nnoeabs.peaks (3.25, 7.71, 121.43 ppm; 5.54 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + H LYS 95 OK 100 100 100 100 3.8-4.2 7311/3.1=88...(34) Violated in 0 structures by 0.00 A. Peak 7294 from nnoeabs.peaks (7.99, 7.71, 121.43 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + H LYS 95 OK 100 100 100 100 2.4-2.8 3.4=100 H ILE 129 - H LYS 95 far 0 97 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 7295 from nnoeabs.peaks (4.23, 7.71, 121.43 ppm; 4.49 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 94 + H LYS 95 OK 100 100 100 100 3.4-3.5 3.6=100 HA ALA 28 - H LYS 95 far 0 100 0 - 7.7-25.0 HA SER 99 - H LYS 95 far 0 92 0 - 8.2-9.4 HA ALA 88 - H LYS 95 far 0 60 0 - 8.4-9.0 HA GLN 27 - H LYS 95 far 0 97 0 - 9.9-27.9 Violated in 0 structures by 0.00 A. Peak 7296 from nnoeabs.peaks (3.90, 7.71, 121.43 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 94 + H LYS 95 OK 100 100 100 100 3.7-4.3 4.4=100 HA LEU 70 - H LYS 95 far 0 81 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 7297 from nnoeabs.peaks (3.97, 7.71, 121.43 ppm; 3.97 A): 2 out of 4 assignments used, quality = 0.98: * HB3 SER 94 + H LYS 95 OK 88 100 100 88 2.8-3.3 4.4=73, ~7313=17...(9) HA GLU 91 + H LYS 95 OK 79 99 100 80 4.5-5.2 4.9/2894=32, 2857/3.4=28...(9) HB2 SER 124 - H LYS 95 far 0 76 0 - 8.5-12.4 HA LEU 100 - H LYS 95 far 0 97 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 7298 from nnoeabs.peaks (4.02, 7.71, 121.43 ppm; 4.00 A): 3 out of 6 assignments used, quality = 1.00: * HA LYS 95 + H LYS 95 OK 100 100 100 100 2.9-2.9 2.9=100 HA LEU 96 + H LYS 95 OK 71 78 100 91 4.7-5.1 3.6/7308=39, 3.0/9975=24...(29) HA ALA 92 + H LYS 95 OK 60 63 100 96 3.2-3.8 3.6/7273=33, 2894=32...(24) HB3 SER 99 - H LYS 95 far 0 93 0 - 6.2-8.8 HB2 SER 124 - H LYS 95 far 0 73 0 - 8.5-12.4 HB3 SER 124 - H LYS 95 far 0 97 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 7299 from nnoeabs.peaks (1.94, 7.71, 121.43 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 95 + H LYS 95 OK 98 100 100 98 2.2-3.6 4.0=79, 3.7/7304=21...(28) HB3 LYS 95 + H LYS 95 OK 98 100 100 98 3.0-3.7 4.0=79, 3.7/7304=21...(25) HB2 GLN 27 - H LYS 95 far 0 63 0 - 7.0-27.6 HB3 ARG 90 - H LYS 95 far 0 93 0 - 7.1-9.0 HB2 ARG 90 - H LYS 95 far 0 73 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 7300 from nnoeabs.peaks (1.94, 7.71, 121.43 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 95 + H LYS 95 OK 98 100 100 98 2.2-3.6 4.0=79, 3.7/7304=21...(28) * HB3 LYS 95 + H LYS 95 OK 98 100 100 98 3.0-3.7 4.0=79, 3.7/7304=21...(25) HB2 GLN 27 - H LYS 95 far 0 71 0 - 7.0-27.6 HB3 ARG 90 - H LYS 95 far 0 97 0 - 7.1-9.0 HB2 ARG 90 - H LYS 95 far 0 65 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 7301 from nnoeabs.peaks (1.39, 7.71, 121.43 ppm; 4.28 A): 4 out of 10 assignments used, quality = 1.00: * HG2 LYS 95 + H LYS 95 OK 100 100 100 100 1.8-4.5 4.6=81, 3.0/7299=36...(37) HG3 LYS 95 + H LYS 95 OK 100 100 100 100 3.1-4.4 4.6=81, 3.0/7299=36...(39) HB2 LEU 96 + H LYS 95 OK 93 99 95 99 4.1-5.8 4.4/7308=38, 1.8/9975=34...(44) HG LEU 96 + H LYS 95 OK 43 97 45 99 3.2-6.3 3.0/9975=28, 2.1/9980=22...(37) QB ALA 28 - H LYS 95 far 0 100 0 - 7.9-21.5 HB3 LEU 100 - H LYS 95 far 0 99 0 - 8.2-10.5 QB ALA 29 - H LYS 95 far 0 99 0 - 8.4-18.4 QB ALA 108 - H LYS 95 far 0 100 0 - 8.4-19.8 QB ALA 110 - H LYS 95 far 0 100 0 - 9.0-23.2 HG2 LYS 24 - H LYS 95 far 0 99 0 - 9.2-33.2 Violated in 0 structures by 0.00 A. Peak 7302 from nnoeabs.peaks (1.39, 7.71, 121.43 ppm; 4.28 A): 4 out of 10 assignments used, quality = 1.00: * HG3 LYS 95 + H LYS 95 OK 100 100 100 100 3.1-4.4 4.6=81, 3.0/7299=36...(39) HG2 LYS 95 + H LYS 95 OK 100 100 100 100 1.8-4.5 4.6=81, 3.0/7299=36...(37) HB2 LEU 96 + H LYS 95 OK 94 100 95 99 4.1-5.8 4.4/7308=38, 1.8/9975=34...(44) HG LEU 96 + H LYS 95 OK 42 96 45 98 3.2-6.3 3.0/9975=28, 2.1/9980=22...(37) QB ALA 28 - H LYS 95 far 0 100 0 - 7.9-21.5 HB3 LEU 100 - H LYS 95 far 0 99 0 - 8.2-10.5 QB ALA 29 - H LYS 95 far 0 100 0 - 8.4-18.4 QB ALA 108 - H LYS 95 far 0 100 0 - 8.4-19.8 QB ALA 110 - H LYS 95 far 0 100 0 - 9.0-23.2 HG2 LYS 24 - H LYS 95 far 0 99 0 - 9.2-33.2 Violated in 0 structures by 0.00 A. Peak 7303 from nnoeabs.peaks (1.65, 7.71, 121.43 ppm; 4.03 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 95 + H LYS 95 OK 100 100 100 100 2.3-4.8 5.5=39, 3.7/7299=28...(50) HD3 LYS 95 + H LYS 95 OK 100 100 100 100 1.8-4.7 5.5=39, 3.7/7299=28...(51) HB2 LEU 98 - H LYS 95 far 0 100 0 - 6.1-7.5 HD2 LYS 24 - H LYS 95 far 0 99 0 - 6.6-33.8 HD3 LYS 24 - H LYS 95 far 0 99 0 - 7.0-34.4 QB ALA 88 - H LYS 95 far 0 99 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 7304 from nnoeabs.peaks (1.66, 7.71, 121.43 ppm; 4.03 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 95 + H LYS 95 OK 100 100 100 100 1.8-4.7 5.5=39, 3.7/7299=28...(51) HD2 LYS 95 + H LYS 95 OK 100 100 100 100 2.3-4.8 5.5=39, 3.7/7299=28...(50) HB2 LEU 98 - H LYS 95 far 0 99 0 - 6.1-7.5 HD2 LYS 24 - H LYS 95 far 0 100 0 - 6.6-33.8 HD3 LYS 24 - H LYS 95 far 0 100 0 - 7.0-34.4 QB ALA 88 - H LYS 95 far 0 100 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 7305 from nnoeabs.peaks (2.88, 7.71, 121.43 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + H LYS 95 OK 100 100 100 100 2.5-4.8 6.7=100 * HE2 LYS 95 + H LYS 95 OK 100 100 100 100 2.7-5.2 6.7=100 Violated in 0 structures by 0.00 A. Peak 7306 from nnoeabs.peaks (2.88, 7.71, 121.43 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 95 + H LYS 95 OK 100 100 100 100 2.5-4.8 6.7=100 HE2 LYS 95 + H LYS 95 OK 100 100 100 100 2.7-5.2 6.7=100 Violated in 0 structures by 0.00 A. Peak 7307 from nnoeabs.peaks (8.27, 7.71, 121.43 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 96 + H LYS 95 OK 100 100 100 100 2.1-2.5 3.1=100 H SER 99 - H LYS 95 far 0 89 0 - 5.8-6.6 H VAL 126 - H LYS 95 far 0 90 0 - 6.5-8.3 H ALA 29 - H LYS 95 far 0 68 0 - 8.3-23.8 H LEU 123 - H LYS 95 far 0 92 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 7308 from nnoeabs.peaks (8.50, 7.71, 121.43 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 97 + H LYS 95 OK 100 100 100 100 3.6-4.4 7330/3.1=91, 7334/3.6=65...(22) H LEU 100 - H LYS 95 far 0 95 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 7309 from nnoeabs.peaks (8.27, 8.27, 124.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 96 + H LEU 96 OK 100 100 - 100 Peak 7310 from nnoeabs.peaks (4.05, 8.27, 124.81 ppm; 4.61 A): 4 out of 8 assignments used, quality = 1.00: * HA ALA 92 + H LEU 96 OK 99 100 100 99 3.6-4.7 2894/3.1=63, 4.9/7311=48...(25) HA LEU 96 + H LEU 96 OK 99 99 100 100 2.7-2.9 2.9=100 HA LEU 122 + H LEU 96 OK 97 100 100 97 4.0-5.7 3862=22, 3331/3.8=22...(44) HA LYS 95 + H LEU 96 OK 63 63 100 100 3.3-3.6 3.6=100 HB2 SER 74 - H LEU 96 far 0 83 0 - 6.9-8.8 HB3 SER 74 - H LEU 96 far 0 81 0 - 7.4-9.9 HB3 SER 124 - H LEU 96 far 0 87 0 - 8.0-9.9 HA LEU 119 - H LEU 96 far 0 78 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 7311 from nnoeabs.peaks (3.25, 8.27, 124.81 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + H LEU 96 OK 100 100 100 100 2.9-3.6 2919/11425=53...(33) Violated in 0 structures by 0.00 A. Peak 7312 from nnoeabs.peaks (7.99, 8.27, 124.81 ppm; 6.79 A): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + H LEU 96 OK 100 100 100 100 3.7-4.5 3.6/7311=98...(20) H ILE 129 + H LEU 96 OK 91 97 95 99 6.9-8.5 7873/9982=89...(11) Violated in 0 structures by 0.00 A. Peak 7313 from nnoeabs.peaks (4.23, 8.27, 124.81 ppm; 6.13 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 94 + H LEU 96 OK 100 100 100 100 4.0-4.9 7334/7330=89...(18) HA SER 99 - H LEU 96 far 14 92 15 - 7.3-8.4 HA ALA 28 - H LEU 96 far 0 100 0 - 8.0-22.9 HA SER 124 - H LEU 96 far 0 99 0 - 8.9-9.9 HA HIS 67 - H LEU 96 far 0 92 0 - 9.1-10.4 HA ALA 88 - H LEU 96 far 0 60 0 - 9.3-10.5 HA GLN 27 - H LEU 96 far 0 97 0 - 9.5-26.0 Violated in 0 structures by 0.00 A. Peak 7314 from nnoeabs.peaks (7.71, 8.27, 124.81 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + H LEU 96 OK 100 100 100 100 2.1-2.5 3.1=100 H GLN 101 - H LEU 96 far 0 65 0 - 6.5-7.4 Violated in 0 structures by 0.00 A. Peak 7315 from nnoeabs.peaks (4.02, 8.27, 124.81 ppm; 4.51 A): 3 out of 7 assignments used, quality = 1.00: * HA LYS 95 + H LEU 96 OK 100 100 100 100 3.3-3.6 3.6=100 HA LEU 96 + H LEU 96 OK 78 78 100 100 2.7-2.9 2.9=100 HA ALA 92 + H LEU 96 OK 58 63 100 93 3.6-4.7 4.9/7311=46, 2894/3.1=30...(24) HB3 SER 99 - H LEU 96 far 14 93 15 - 4.9-7.4 HB2 SER 124 - H LEU 96 far 0 73 0 - 7.6-10.4 HB3 SER 124 - H LEU 96 far 0 97 0 - 8.0-9.9 HA LEU 119 - H LEU 96 far 0 99 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 7316 from nnoeabs.peaks (1.94, 8.27, 124.81 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 95 + H LEU 96 OK 100 100 100 100 2.5-4.0 4.6=86, 7299/3.1=37...(43) HB3 LYS 95 + H LEU 96 OK 100 100 100 100 3.1-4.4 4.6=86, 7299/3.1=37...(45) HB2 GLN 27 - H LEU 96 far 0 63 0 - 6.8-25.7 HB3 ARG 90 - H LEU 96 far 0 93 0 - 8.5-10.0 HB2 ARG 90 - H LEU 96 far 0 73 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 7317 from nnoeabs.peaks (1.94, 8.27, 124.81 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 95 + H LEU 96 OK 100 100 100 100 3.1-4.4 4.6=86, 7300/3.1=37...(45) HB2 LYS 95 + H LEU 96 OK 100 100 100 100 2.5-4.0 4.6=86, 7300/3.1=37...(43) HB2 GLN 27 - H LEU 96 far 0 71 0 - 6.8-25.7 HB3 ARG 90 - H LEU 96 far 0 97 0 - 8.5-10.0 HB2 ARG 90 - H LEU 96 far 0 65 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 7318 from nnoeabs.peaks (1.39, 8.27, 124.81 ppm; 4.63 A): 4 out of 10 assignments used, quality = 1.00: HG3 LYS 95 + H LEU 96 OK 99 100 100 99 3.2-5.3 3.0/7316=34, 3.0/7317=34...(40) * HG2 LYS 95 + H LEU 96 OK 99 100 100 99 3.0-5.7 3.0/7316=34, 3.0/7317=34...(38) HB2 LEU 96 + H LEU 96 OK 99 99 100 100 2.1-3.6 3.8=100 HG LEU 96 + H LEU 96 OK 97 97 100 100 1.7-4.3 5.0=78, 2.1/3099=41...(35) HB3 LEU 100 - H LEU 96 far 5 99 5 - 5.9-8.6 QB ALA 29 - H LEU 96 far 0 99 0 - 7.6-17.2 QB ALA 108 - H LEU 96 far 0 100 0 - 7.8-18.4 QB ALA 110 - H LEU 96 far 0 100 0 - 8.3-21.3 QB ALA 28 - H LEU 96 far 0 100 0 - 8.4-19.5 HG2 LYS 24 - H LEU 96 far 0 99 0 - 9.5-30.9 Violated in 0 structures by 0.00 A. Peak 7319 from nnoeabs.peaks (1.39, 8.27, 124.81 ppm; 4.63 A): 4 out of 10 assignments used, quality = 1.00: HB2 LEU 96 + H LEU 96 OK 100 100 100 100 2.1-3.6 3.8=100 * HG3 LYS 95 + H LEU 96 OK 99 100 100 99 3.2-5.3 3.0/7316=34, 3.0/7317=34...(40) HG2 LYS 95 + H LEU 96 OK 99 100 100 99 3.0-5.7 3.0/7316=34, 3.0/7317=34...(38) HG LEU 96 + H LEU 96 OK 95 96 100 100 1.7-4.3 5.0=78, 2.1/3099=41...(35) HB3 LEU 100 - H LEU 96 far 5 99 5 - 5.9-8.6 QB ALA 29 - H LEU 96 far 0 100 0 - 7.6-17.2 QB ALA 108 - H LEU 96 far 0 100 0 - 7.8-18.4 QB ALA 110 - H LEU 96 far 0 100 0 - 8.3-21.3 QB ALA 28 - H LEU 96 far 0 100 0 - 8.4-19.5 HG2 LYS 24 - H LEU 96 far 0 99 0 - 9.5-30.9 Violated in 0 structures by 0.00 A. Peak 7320 from nnoeabs.peaks (1.65, 8.27, 124.81 ppm; 5.80 A): 3 out of 8 assignments used, quality = 1.00: * HD2 LYS 95 + H LEU 96 OK 100 100 100 100 4.1-6.3 7303/3.1=47, 3.7/7316=42...(37) HD3 LYS 95 + H LEU 96 OK 100 100 100 100 3.7-6.4 9828/11425=60...(40) HB2 LEU 98 + H LEU 96 OK 85 100 85 100 6.7-7.6 3158/3.6=92, 3.9/7331=50...(20) HD2 LYS 24 - H LEU 96 far 0 99 0 - 7.5-32.5 HD3 LYS 24 - H LEU 96 far 0 99 0 - 7.5-32.0 HB2 LEU 69 - H LEU 96 far 0 92 0 - 8.1-11.0 QB ALA 88 - H LEU 96 far 0 99 0 - 8.8-9.9 HB2 LEU 123 - H LEU 96 far 0 100 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 7321 from nnoeabs.peaks (1.66, 8.27, 124.81 ppm; 5.80 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 95 + H LEU 96 OK 100 100 100 100 3.7-6.4 9828/11425=60...(40) HD2 LYS 95 + H LEU 96 OK 100 100 100 100 4.1-6.3 7304/3.1=47, 3.7/7316=42...(37) HB2 LEU 98 + H LEU 96 OK 84 99 85 100 6.7-7.6 3158/3.6=91, 3.9/7331=50...(20) HD2 LYS 24 - H LEU 96 far 0 100 0 - 7.5-32.5 HD3 LYS 24 - H LEU 96 far 0 100 0 - 7.5-32.0 HB2 LEU 69 - H LEU 96 far 0 97 0 - 8.1-11.0 QB ALA 88 - H LEU 96 far 0 100 0 - 8.8-9.9 HB2 LEU 123 - H LEU 96 far 0 98 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 7324 from nnoeabs.peaks (4.04, 8.27, 124.81 ppm; 4.62 A): 4 out of 8 assignments used, quality = 1.00: * HA LEU 96 + H LEU 96 OK 100 100 100 100 2.7-2.9 2.9=100 HA ALA 92 + H LEU 96 OK 99 99 100 99 3.6-4.7 2894/3.1=62, 4.9/7311=48...(25) HA LEU 122 + H LEU 96 OK 96 99 100 97 4.0-5.7 3862=22, 3331/3.8=21...(44) HA LYS 95 + H LEU 96 OK 78 78 100 100 3.3-3.6 3.6=100 HB2 SER 74 - H LEU 96 far 0 68 0 - 6.9-8.8 HB3 SER 74 - H LEU 96 far 0 65 0 - 7.4-9.9 HB3 SER 124 - H LEU 96 far 0 96 0 - 8.0-9.9 HA LEU 119 - H LEU 96 far 0 90 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 7325 from nnoeabs.peaks (1.38, 8.27, 124.81 ppm; 4.61 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LEU 96 + H LEU 96 OK 100 100 100 100 2.1-3.6 3.8=100 HG3 LYS 95 + H LEU 96 OK 99 100 100 99 3.2-5.3 3.0/7316=34, 3.0/7317=34...(40) HG2 LYS 95 + H LEU 96 OK 98 99 100 99 3.0-5.7 3.0/7316=34, 3.0/7317=34...(38) HG LEU 96 + H LEU 96 OK 89 89 100 100 1.7-4.3 5.0=77, 2.1/3099=41...(34) HB3 LEU 100 - H LEU 96 far 5 100 5 - 5.9-8.6 QB ALA 29 - H LEU 96 far 0 100 0 - 7.6-17.2 QB ALA 108 - H LEU 96 far 0 100 0 - 7.8-18.4 QB ALA 110 - H LEU 96 far 0 100 0 - 8.3-21.3 QB ALA 28 - H LEU 96 far 0 100 0 - 8.4-19.5 HG2 LYS 24 - H LEU 96 far 0 100 0 - 9.5-30.9 Violated in 0 structures by 0.00 A. Peak 7326 from nnoeabs.peaks (2.23, 8.27, 124.81 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 96 + H LEU 96 OK 100 100 100 100 2.1-3.6 3.8=100 HB3 GLU 97 - H LEU 96 far 0 83 0 - 5.7-6.5 HG2 GLU 91 - H LEU 96 far 0 98 0 - 6.0-9.1 HB3 GLU 128 - H LEU 96 far 0 97 0 - 7.3-8.8 HB2 GLN 101 - H LEU 96 far 0 57 0 - 7.4-9.6 HB3 GLN 127 - H LEU 96 far 0 97 0 - 9.3-11.8 HB3 GLU 102 - H LEU 96 far 0 99 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 7327 from nnoeabs.peaks (1.40, 8.27, 124.81 ppm; 4.61 A): 4 out of 10 assignments used, quality = 1.00: * HG LEU 96 + H LEU 96 OK 100 100 100 100 1.7-4.3 5.0=77, 2.1/3099=41...(35) HG2 LYS 95 + H LEU 96 OK 97 97 100 99 3.0-5.7 3.0/7316=34, 3.0/7317=34...(38) HG3 LYS 95 + H LEU 96 OK 95 96 100 99 3.2-5.3 3.0/7316=34, 3.0/7317=34...(40) HB2 LEU 96 + H LEU 96 OK 89 89 100 100 2.1-3.6 3.8=100 HB3 LEU 100 - H LEU 96 far 4 87 5 - 5.9-8.6 QB ALA 29 - H LEU 96 far 0 89 0 - 7.6-17.2 QB ALA 108 - H LEU 96 far 0 95 0 - 7.8-18.4 QB ALA 110 - H LEU 96 far 0 92 0 - 8.3-21.3 QB ALA 28 - H LEU 96 far 0 93 0 - 8.4-19.5 HG2 LYS 24 - H LEU 96 far 0 87 0 - 9.5-30.9 Violated in 0 structures by 0.00 A. Peak 7328 from nnoeabs.peaks (0.75, 8.27, 124.81 ppm; 3.81 A): 3 out of 6 assignments used, quality = 1.00: QG1 VAL 93 + H LEU 96 OK 100 100 100 100 4.0-5.2 11432=53, 2.1/11425=52...(30) * QD2 LEU 96 + H LEU 96 OK 99 100 100 99 2.0-3.9 5.1=43, 11806/7311=37...(36) QD1 LEU 96 + H LEU 96 OK 74 76 100 98 2.9-4.0 4.6=55, 2.1/3091=30...(32) HG12 ILE 129 - H LEU 96 far 0 100 0 - 5.5-7.1 QD1 ILE 32 - H LEU 96 far 0 63 0 - 8.9-15.6 QD2 LEU 103 - H LEU 96 far 0 99 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 7329 from nnoeabs.peaks (0.77, 8.27, 124.81 ppm; 4.04 A): 4 out of 9 assignments used, quality = 1.00: * QD1 LEU 96 + H LEU 96 OK 99 100 100 99 2.9-4.0 4.6=66, 3106/7330=41...(33) QG1 VAL 93 + H LEU 96 OK 78 78 100 100 4.0-5.2 2.1/11425=59...(29) QD2 LEU 96 + H LEU 96 OK 75 76 100 99 2.0-3.9 5.1=51, 2.1/3099=35...(34) QD2 LEU 122 + H LEU 96 OK 35 92 40 94 4.1-8.1 3901/2.9=19...(47) HG12 ILE 129 - H LEU 96 far 4 78 5 - 5.5-7.1 QD2 LEU 49 - H LEU 96 far 0 71 0 - 7.8-10.2 QD1 LEU 53 - H LEU 96 far 0 78 0 - 8.0-11.6 QD1 ILE 32 - H LEU 96 far 0 100 0 - 8.9-15.6 QD1 LEU 103 - H LEU 96 far 0 97 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 7330 from nnoeabs.peaks (8.50, 8.27, 124.81 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 97 + H LEU 96 OK 98 100 100 98 2.4-2.9 3.7=71, 7308/3.1=27...(26) H LEU 100 - H LEU 96 far 0 95 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 7331 from nnoeabs.peaks (7.74, 8.27, 124.81 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + H LEU 96 OK 100 100 100 100 4.2-4.9 3.9/7330=100...(23) Violated in 0 structures by 0.00 A. Peak 7332 from nnoeabs.peaks (8.50, 8.50, 119.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 97 + H GLU 97 OK 100 100 - 100 Peak 7333 from nnoeabs.peaks (3.25, 8.50, 119.00 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + H GLU 97 OK 100 100 100 100 3.8-4.9 7311/7330=99...(21) Violated in 0 structures by 0.00 A. Peak 7334 from nnoeabs.peaks (4.23, 8.50, 119.00 ppm; 4.75 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 94 + H GLU 97 OK 100 100 100 100 3.6-4.4 2935=98, 3117/7345=71...(17) HA SER 99 - H GLU 97 far 0 92 0 - 6.4-7.2 HA ALA 28 - H GLU 97 far 0 100 0 - 7.0-22.9 HA HIS 67 - H GLU 97 far 0 92 0 - 7.3-8.5 HA GLN 27 - H GLU 97 far 0 97 0 - 7.7-25.0 HA ALA 29 - H GLU 97 far 0 100 0 - 8.9-19.5 HA GLU 30 - H GLU 97 far 0 99 0 - 9.4-22.0 Violated in 0 structures by 0.00 A. Peak 7335 from nnoeabs.peaks (7.71, 8.50, 119.00 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 95 + H GLU 97 OK 100 100 100 100 3.6-4.4 7308=93, 3.1/7330=89...(22) H GLN 101 + H GLU 97 OK 64 65 100 98 4.4-5.3 4.6/3232=27, 4.6/3241=22...(28) Violated in 0 structures by 0.00 A. Peak 7336 from nnoeabs.peaks (4.02, 8.50, 119.00 ppm; 5.39 A): 4 out of 7 assignments used, quality = 1.00: * HA LYS 95 + H GLU 97 OK 100 100 100 100 3.7-4.5 3.6/7330=92, 2.9/7308=77...(21) HB3 SER 99 + H GLU 97 OK 86 93 100 92 4.5-6.9 3.7/7350=41, 1.8/3213=38...(14) HA LEU 96 + H GLU 97 OK 78 78 100 100 3.4-3.5 3.6=100 HA ALA 92 + H GLU 97 OK 49 63 90 86 6.3-7.5 4.9/7333=38...(13) HA LEU 119 - H GLU 97 far 0 99 0 - 8.9-12.0 HB2 SER 124 - H GLU 97 far 0 73 0 - 9.5-11.8 HB3 SER 124 - H GLU 97 far 0 97 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 7337 from nnoeabs.peaks (8.27, 8.50, 119.00 ppm; 4.22 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 96 + H GLU 97 OK 100 100 100 100 2.4-2.9 3.7=100 H SER 99 + H GLU 97 OK 87 89 100 99 3.6-4.4 7375/3.9=47, 7385=36...(32) H VAL 126 - H GLU 97 far 0 90 0 - 5.8-8.1 H ALA 29 - H GLU 97 far 0 68 0 - 6.3-21.3 H LEU 123 - H GLU 97 far 0 92 0 - 8.3-9.5 H GLU 30 - H GLU 97 far 0 96 0 - 9.0-21.4 H LEU 69 - H GLU 97 far 0 73 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 7338 from nnoeabs.peaks (4.04, 8.50, 119.00 ppm; 5.39 A): 4 out of 9 assignments used, quality = 1.00: * HA LEU 96 + H GLU 97 OK 100 100 100 100 3.4-3.5 3.6=100 HA LEU 122 + H GLU 97 OK 90 99 100 92 5.1-6.0 3.0/9998=27, 3331/4.4=24...(20) HA ALA 92 + H GLU 97 OK 87 99 90 97 6.3-7.5 2894/7308=58...(13) HA LYS 95 + H GLU 97 OK 78 78 100 100 3.7-4.5 3.6/7330=92, 2.9/7308=77...(21) HB3 SER 74 - H GLU 97 poor 20 65 30 - 5.8-8.8 HB2 SER 74 - H GLU 97 poor 13 68 45 42 5.3-7.8 11130/3106=13...(8) HA LEU 119 - H GLU 97 far 0 90 0 - 8.9-12.0 HA GLU 102 - H GLU 97 far 0 98 0 - 9.1-10.3 HB3 SER 124 - H GLU 97 far 0 96 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 7339 from nnoeabs.peaks (1.38, 8.50, 119.00 ppm; 4.37 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 96 + H GLU 97 OK 99 100 100 99 3.5-4.3 4.4=99 HG LEU 96 + H GLU 97 OK 89 89 100 100 2.1-3.8 2.1/3106=59, 2.1/3098=54...(36) HB3 LEU 100 + H GLU 97 OK 60 100 60 100 5.5-7.0 ~3115=50, 1.8/3232=39...(31) HG2 LYS 95 - H GLU 97 far 10 99 10 - 5.2-7.5 HG3 LYS 95 - H GLU 97 far 5 100 5 - 5.4-7.0 QB ALA 29 - H GLU 97 far 0 100 0 - 5.9-15.6 QB ALA 108 - H GLU 97 far 0 100 0 - 7.3-16.6 QB ALA 28 - H GLU 97 far 0 100 0 - 7.7-19.9 QB ALA 110 - H GLU 97 far 0 100 0 - 8.3-21.2 HG2 LYS 24 - H GLU 97 far 0 100 0 - 9.8-31.0 Violated in 0 structures by 0.00 A. Peak 7340 from nnoeabs.peaks (2.23, 8.50, 119.00 ppm; 3.84 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 96 + H GLU 97 OK 100 100 100 100 3.3-4.0 4.4=67, 3.8/7330=54...(28) HB3 GLU 97 + H GLU 97 OK 83 83 100 100 3.2-3.6 4.0=91, 1.8/7345=79...(22) HB2 GLN 101 - H GLU 97 far 6 57 10 - 4.6-6.9 HB3 GLU 102 - H GLU 97 far 0 99 0 - 7.7-10.5 HG2 GLU 91 - H GLU 97 far 0 98 0 - 8.4-10.9 HB3 GLN 104 - H GLU 97 far 0 93 0 - 8.6-13.7 HB3 GLU 128 - H GLU 97 far 0 97 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 7341 from nnoeabs.peaks (1.40, 8.50, 119.00 ppm; 4.79 A): 4 out of 10 assignments used, quality = 1.00: * HG LEU 96 + H GLU 97 OK 100 100 100 100 2.1-3.8 2.1/3106=66, 2.1/3098=60...(38) HB2 LEU 96 + H GLU 97 OK 89 89 100 100 3.5-4.3 4.4=100 HB3 LEU 100 + H GLU 97 OK 65 87 75 100 5.5-7.0 ~3115=59, 1.8/3232=44...(31) HG3 LYS 95 + H GLU 97 OK 47 96 60 82 5.4-7.0 4.6/7308=47...(10) HG2 LYS 95 - H GLU 97 poor 19 97 20 - 5.2-7.5 QB ALA 29 - H GLU 97 far 4 89 5 - 5.9-15.6 QB ALA 108 - H GLU 97 far 0 95 0 - 7.3-16.6 QB ALA 28 - H GLU 97 far 0 93 0 - 7.7-19.9 QB ALA 110 - H GLU 97 far 0 92 0 - 8.3-21.2 HG2 LYS 24 - H GLU 97 far 0 87 0 - 9.8-31.0 Violated in 0 structures by 0.00 A. Peak 7342 from nnoeabs.peaks (0.75, 8.50, 119.00 ppm; 4.13 A): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 96 + H GLU 97 OK 100 100 100 100 1.5-4.2 3098=67, 11809/2.8=63...(33) QG1 VAL 93 + H GLU 97 OK 94 100 95 99 3.6-6.3 11432/7330=47...(23) QD1 LEU 96 + H GLU 97 OK 76 76 100 100 1.6-4.3 2.1/3098=50, 4.6/7330=48...(30) HG12 ILE 129 - H GLU 97 far 0 100 0 - 7.5-8.8 QD1 ILE 32 - H GLU 97 far 0 63 0 - 7.7-14.3 QD2 LEU 103 - H GLU 97 far 0 99 0 - 8.2-10.4 Violated in 0 structures by 0.00 A. Peak 7343 from nnoeabs.peaks (0.77, 8.50, 119.00 ppm; 4.30 A): 4 out of 10 assignments used, quality = 1.00: * QD1 LEU 96 + H GLU 97 OK 100 100 100 100 1.6-4.3 3106=73, 11451/2.8=69...(34) QD2 LEU 96 + H GLU 97 OK 76 76 100 100 1.5-4.2 2.1/3106=58, 5.1/7330=46...(30) QG1 VAL 93 + H GLU 97 OK 73 78 95 98 3.6-6.3 11432/7330=35...(23) QD2 LEU 122 + H GLU 97 OK 42 92 60 76 4.2-8.1 3901/3.6=18, 3.1/9998=17...(18) HG12 ILE 129 - H GLU 97 far 0 78 0 - 7.5-8.8 QD2 LEU 49 - H GLU 97 far 0 71 0 - 7.6-10.5 QD1 ILE 32 - H GLU 97 far 0 100 0 - 7.7-14.3 QD1 LEU 53 - H GLU 97 far 0 78 0 - 8.1-13.0 QD1 LEU 103 - H GLU 97 far 0 97 0 - 8.4-11.2 QG1 VAL 63 - H GLU 97 far 0 97 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 7344 from nnoeabs.peaks (3.76, 8.50, 119.00 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 97 + H GLU 97 OK 100 100 100 100 2.8-2.9 2.8=100 HB2 SER 99 + H GLU 97 OK 20 100 25 82 4.6-7.0 3.7/7350=22, 3208/3.6=20...(18) Violated in 0 structures by 0.00 A. Peak 7345 from nnoeabs.peaks (2.14, 8.50, 119.00 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + H GLU 97 OK 100 100 100 100 2.2-2.8 4.0=80, 2.9/3133=50...(17) HB3 LEU 69 - H GLU 97 far 0 65 0 - 9.1-11.8 HG3 GLU 91 - H GLU 97 far 0 60 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 7346 from nnoeabs.peaks (2.21, 8.50, 119.00 ppm; 3.80 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLU 97 + H GLU 97 OK 100 100 100 100 3.2-3.6 4.0=88, 1.8/7345=78...(22) HB3 LEU 96 + H GLU 97 OK 82 83 100 100 3.3-4.0 4.4=65, 3.8/7330=53...(29) HB2 GLN 101 - H GLU 97 far 10 97 10 - 4.6-6.9 HB3 GLU 102 - H GLU 97 far 0 95 0 - 7.7-10.5 HG2 GLU 91 - H GLU 97 far 0 97 0 - 8.4-10.9 HB3 GLN 104 - H GLU 97 far 0 99 0 - 8.6-13.7 HB2 GLN 104 - H GLU 97 far 0 65 0 - 9.0-12.6 HB3 GLU 128 - H GLU 97 far 0 98 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 7347 from nnoeabs.peaks (2.27, 8.50, 119.00 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 97 + H GLU 97 OK 100 100 100 100 1.8-4.1 4.6=100 HB3 GLN 101 + H GLU 97 OK 46 60 80 95 4.4-7.4 3111/2.8=28, 4.0/7409=27...(15) HG2 GLU 30 - H GLU 97 far 0 90 0 - 8.1-23.6 Violated in 0 structures by 0.00 A. Peak 7348 from nnoeabs.peaks (2.42, 8.50, 119.00 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + H GLU 97 OK 100 100 100 100 1.8-4.1 1.8/3133=71, 3140=67...(21) HG2 GLN 101 + H GLU 97 OK 44 100 50 88 4.5-7.4 3112/2.8=26...(17) Violated in 1 structures by 0.00 A. Peak 7349 from nnoeabs.peaks (7.74, 8.50, 119.00 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + H GLU 97 OK 100 100 100 100 2.4-3.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 7350 from nnoeabs.peaks (8.29, 8.50, 119.00 ppm; 4.38 A): 2 out of 6 assignments used, quality = 1.00: * H SER 99 + H GLU 97 OK 99 100 100 99 3.6-4.4 7375/3.9=60, 7385=44...(33) H LEU 96 + H GLU 97 OK 89 89 100 100 2.4-2.9 3.7=100 H VAL 126 - H GLU 97 far 5 100 5 - 5.8-8.1 H GLU 30 - H GLU 97 far 0 60 0 - 9.0-21.4 H TYR 72 - H GLU 97 far 0 57 0 - 9.3-10.7 H LEU 69 - H GLU 97 far 0 99 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 7351 from nnoeabs.peaks (7.74, 7.74, 119.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + H LEU 98 OK 100 100 - 100 Peak 7352 from nnoeabs.peaks (4.23, 7.74, 119.22 ppm; 4.99 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 94 + H LEU 98 OK 100 100 100 100 3.9-5.0 3117/7358=71...(12) HA SER 99 + H LEU 98 OK 91 92 100 99 5.1-5.7 2.9/7375=88...(11) HA GLN 27 - H LEU 98 far 5 97 5 - 5.5-27.1 HA ALA 28 - H LEU 98 far 0 100 0 - 6.6-24.4 HA HIS 67 - H LEU 98 far 0 92 0 - 8.4-9.7 HA ALA 29 - H LEU 98 far 0 100 0 - 8.5-21.0 Violated in 0 structures by 0.00 A. Peak 7353 from nnoeabs.peaks (4.02, 7.74, 119.22 ppm; 4.90 A): 3 out of 6 assignments used, quality = 1.00: * HA LYS 95 + H LEU 98 OK 100 100 100 100 3.2-4.3 2961=89, 2963/7364=73...(18) HB3 SER 99 + H LEU 98 OK 90 93 100 97 4.8-6.4 3.7/7375=75, 1.8/7357=38...(11) HA LEU 96 + H LEU 98 OK 68 78 100 87 4.1-5.6 4.9/2961=45, 2.9/7331=37...(13) HA ALA 92 - H LEU 98 far 0 63 0 - 7.5-8.7 HA LEU 119 - H LEU 98 far 0 99 0 - 8.5-12.6 HA LEU 103 - H LEU 98 far 0 100 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 7354 from nnoeabs.peaks (8.27, 7.74, 119.22 ppm; 5.02 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 96 + H LEU 98 OK 100 100 100 100 4.2-4.9 7330/3.9=81, 3.6/2961=60...(22) H SER 99 + H LEU 98 OK 89 89 100 100 2.5-3.3 3.8=100 H ALA 29 - H LEU 98 far 3 68 5 - 6.0-22.6 H VAL 126 - H LEU 98 far 0 90 0 - 7.8-10.7 H ARG 23 - H LEU 98 far 0 60 0 - 8.7-35.1 H GLU 30 - H LEU 98 far 0 96 0 - 9.1-22.6 H LEU 123 - H LEU 98 far 0 92 0 - 9.3-11.0 H ALA 110 - H LEU 98 far 0 68 0 - 9.5-22.3 Violated in 0 structures by 0.00 A. Peak 7355 from nnoeabs.peaks (4.04, 7.74, 119.22 ppm; 5.16 A): 3 out of 9 assignments used, quality = 0.99: * HA LEU 96 + H LEU 98 OK 92 100 100 92 4.1-5.6 4.9/2961=49, 2.9/7331=42...(14) HA LYS 95 + H LEU 98 OK 78 78 100 100 3.2-4.3 2961=68, 11371/3176=62...(18) HA LEU 122 + H LEU 98 OK 36 99 55 67 6.0-8.1 7372/7375=19...(13) HB3 SER 74 - H LEU 98 far 0 65 0 - 7.1-10.2 HB2 SER 74 - H LEU 98 far 0 68 0 - 7.3-9.4 HA GLU 102 - H LEU 98 far 0 98 0 - 7.4-8.5 HA ALA 92 - H LEU 98 far 0 99 0 - 7.5-8.7 HA LEU 119 - H LEU 98 far 0 90 0 - 8.5-12.6 HA LEU 103 - H LEU 98 far 0 71 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 7356 from nnoeabs.peaks (8.50, 7.74, 119.22 ppm; 4.52 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + H LEU 98 OK 100 100 100 100 2.4-3.0 3.9=100 H LEU 100 + H LEU 98 OK 94 95 100 100 3.9-5.0 3.4/7375=71, ~3155=32...(28) Violated in 0 structures by 0.00 A. Peak 7357 from nnoeabs.peaks (3.76, 7.74, 119.22 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 97 + H LEU 98 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 99 + H LEU 98 OK 83 100 85 97 4.3-6.3 3.7/7375=70...(16) Violated in 0 structures by 0.00 A. Peak 7358 from nnoeabs.peaks (2.14, 7.74, 119.22 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 97 + H LEU 98 OK 100 100 100 100 2.3-4.0 3124=79, 7345/3.9=53...(20) Violated in 0 structures by 0.00 A. Peak 7359 from nnoeabs.peaks (2.21, 7.74, 119.22 ppm; 3.92 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 97 + H LEU 98 OK 99 100 100 99 2.1-3.9 1.8/7358=72, 4.7=60...(18) HB2 GLN 101 + H LEU 98 OK 77 97 80 98 3.5-5.6 ~3157=38, ~3157=30...(22) HB3 LEU 96 - H LEU 98 far 0 83 0 - 5.4-6.4 HB3 GLU 102 - H LEU 98 far 0 95 0 - 5.6-8.5 HB3 GLN 104 - H LEU 98 far 0 99 0 - 8.3-13.1 HB2 GLN 104 - H LEU 98 far 0 65 0 - 8.9-12.1 HG2 GLU 91 - H LEU 98 far 0 97 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 7360 from nnoeabs.peaks (2.27, 7.74, 119.22 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 97 + H LEU 98 OK 100 100 100 100 1.5-4.7 3139=88, 2.9/7358=76...(21) HB3 GLN 101 + H LEU 98 OK 57 60 95 100 3.8-6.2 3157/2.9=47, 1.8/7359=41...(24) HG2 GLU 30 - H LEU 98 far 0 90 0 - 8.8-25.7 Violated in 0 structures by 0.00 A. Peak 7361 from nnoeabs.peaks (2.42, 7.74, 119.22 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + H LEU 98 OK 100 100 100 100 1.9-4.7 2.9/7358=78, 1.8/3139=77...(21) HG2 GLN 101 + H LEU 98 OK 100 100 100 100 2.8-5.5 3306/2.9=45, ~3157=42...(33) Violated in 0 structures by 0.00 A. Peak 7362 from nnoeabs.peaks (4.11, 7.74, 119.22 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 98 + H LEU 98 OK 100 100 100 100 2.6-2.9 2.9=100 HA GLN 101 - H LEU 98 far 0 100 0 - 5.9-6.7 Violated in 0 structures by 0.00 A. Peak 7363 from nnoeabs.peaks (1.65, 7.74, 119.22 ppm; 3.73 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 98 + H LEU 98 OK 100 100 100 100 3.2-3.7 3.9=87, 1.8/7364=77...(23) HD3 LYS 95 - H LEU 98 poor 20 99 30 67 4.8-8.8 5.0/2961=24...(11) HD2 LYS 95 - H LEU 98 far 0 100 0 - 6.1-9.2 HD2 LYS 24 - H LEU 98 far 0 98 0 - 6.5-34.8 HD3 LYS 24 - H LEU 98 far 0 99 0 - 6.7-33.6 HG3 ARG 23 - H LEU 98 far 0 68 0 - 8.8-35.7 Violated in 0 structures by 0.00 A. Peak 7364 from nnoeabs.peaks (1.78, 7.74, 119.22 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 98 + H LEU 98 OK 100 100 100 100 2.1-3.5 3168=83, 1.8/7363=58...(28) HB3 LEU 122 - H LEU 98 far 0 98 0 - 5.4-9.1 HG LEU 100 - H LEU 98 far 0 99 0 - 7.6-8.6 HB3 LYS 24 - H LEU 98 far 0 60 0 - 7.7-30.8 HB3 LEU 103 - H LEU 98 far 0 99 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 7365 from nnoeabs.peaks (1.71, 7.74, 119.22 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 98 + H LEU 98 OK 100 100 100 100 2.0-4.2 3176=100, 2.1/3192=70...(21) HB2 LEU 70 - H LEU 98 far 0 100 0 - 6.2-8.9 HB3 LEU 70 - H LEU 98 far 0 100 0 - 6.3-8.8 HG3 ARG 90 - H LEU 98 far 0 76 0 - 9.6-13.4 Violated in 6 structures by 0.08 A. Peak 7366 from nnoeabs.peaks (0.86, 7.74, 119.22 ppm; 4.13 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 98 + H LEU 98 OK 100 100 100 100 3.2-4.3 2.1/3176=80, 2.1/3192=79...(25) QD2 LEU 98 + H LEU 98 OK 93 93 100 100 1.6-2.7 3192=90, 2.1/3176=80...(24) QD2 LEU 70 + H LEU 98 OK 44 99 45 97 4.5-7.1 11090/3.6=63...(19) QD2 LEU 69 - H LEU 98 far 0 99 0 - 8.7-12.3 QG2 VAL 20 - H LEU 98 far 0 60 0 - 8.8-31.3 QD2 LEU 123 - H LEU 98 far 0 78 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 7367 from nnoeabs.peaks (0.88, 7.74, 119.22 ppm; 4.34 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 98 + H LEU 98 OK 100 100 100 100 1.6-2.7 3192=100, 2.1/3176=85...(25) QD1 LEU 98 + H LEU 98 OK 93 93 100 100 3.2-4.3 2.1/3176=85, 2.1/3192=85...(25) QD2 LEU 70 + H LEU 98 OK 35 83 45 94 4.5-7.1 11090/3.6=51...(20) QG1 VAL 118 - H LEU 98 far 8 76 10 - 4.7-7.6 QD2 LEU 69 - H LEU 98 far 0 99 0 - 8.7-12.3 QG2 VAL 20 - H LEU 98 far 0 92 0 - 8.8-31.3 QD2 LEU 123 - H LEU 98 far 0 99 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 7368 from nnoeabs.peaks (8.29, 7.74, 119.22 ppm; 4.29 A): 2 out of 5 assignments used, quality = 1.00: * H SER 99 + H LEU 98 OK 100 100 100 100 2.5-3.3 3.8=100 H LEU 96 + H LEU 98 OK 86 89 100 97 4.2-4.9 7330/3.9=53, 3.6/2961=44...(22) H VAL 126 - H LEU 98 far 0 100 0 - 7.8-10.7 H GLU 30 - H LEU 98 far 0 60 0 - 9.1-22.6 H ALA 110 - H LEU 98 far 0 98 0 - 9.5-22.3 Violated in 0 structures by 0.00 A. Peak 7369 from nnoeabs.peaks (8.49, 7.74, 119.22 ppm; 4.32 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + H LEU 98 OK 99 100 100 99 3.9-5.0 3.4/7375=66, 3114/3.6=29...(28) H GLU 97 + H LEU 98 OK 95 95 100 100 2.4-3.0 3.9=100 H LEU 70 - H LEU 98 far 0 78 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 7370 from nnoeabs.peaks (8.29, 8.29, 116.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H SER 99 + H SER 99 OK 100 100 - 100 H GLU 40 + H GLU 40 OK 82 82 - 100 Peak 7371 from nnoeabs.peaks (4.02, 8.29, 116.35 ppm; 4.40 A): 4 out of 12 assignments used, quality = 1.00: * HA LYS 95 + H SER 99 OK 99 100 100 99 3.6-4.5 3158/3166=54...(23) HB3 SER 99 + H SER 99 OK 93 93 100 100 2.1-3.6 3.7=100 HB2 SER 38 + H GLU 40 OK 78 88 100 89 2.7-3.5 1.8/10921=50...(7) HA LEU 96 + H SER 99 OK 74 78 100 94 3.7-4.8 3.6/7385=30, 3214/3.7=20...(29) HA LEU 119 - H SER 99 far 5 99 5 - 5.3-10.1 HD3 PRO 81 - H GLU 40 far 0 72 0 - 6.0-12.6 HA ILE 37 - H GLU 40 far 0 89 0 - 6.6-8.4 HA LEU 103 - H SER 99 far 0 100 0 - 6.7-9.0 HA GLU 44 - H GLU 40 far 0 47 0 - 8.3-9.8 HA ALA 92 - H SER 99 far 0 63 0 - 8.4-9.0 HB3 SER 124 - H SER 99 far 0 97 0 - 8.4-10.9 HB2 SER 124 - H SER 99 far 0 73 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 7372 from nnoeabs.peaks (4.04, 8.29, 116.35 ppm; 4.29 A): 4 out of 14 assignments used, quality = 1.00: * HA LEU 96 + H SER 99 OK 96 100 100 96 3.7-4.8 3.6/7385=29, 3214/3.7=25...(31) HA LYS 95 + H SER 99 OK 75 78 100 95 3.6-4.5 3158/3166=40...(23) HA LEU 122 + H SER 99 OK 74 99 85 89 4.1-6.7 3214/3.7=28, 3208/3.7=26...(23) HB2 SER 38 + H GLU 40 OK 43 52 100 83 2.7-3.5 1.8/10921=47...(7) HA LEU 119 - H SER 99 far 5 90 5 - 5.3-10.1 HD3 PRO 81 - H GLU 40 far 0 88 0 - 6.0-12.6 HA ILE 37 - H GLU 40 far 0 66 0 - 6.6-8.4 HA LEU 103 - H SER 99 far 0 71 0 - 6.7-9.0 HA GLU 102 - H SER 99 far 0 98 0 - 7.1-7.9 HA GLU 44 - H GLU 40 far 0 86 0 - 8.3-9.8 HA ALA 92 - H SER 99 far 0 99 0 - 8.4-9.0 HB3 SER 124 - H SER 99 far 0 96 0 - 8.4-10.9 HB3 SER 74 - H SER 99 far 0 65 0 - 9.2-12.6 HB2 SER 74 - H SER 99 far 0 68 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 7373 from nnoeabs.peaks (8.50, 8.29, 116.35 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + H SER 99 OK 100 100 100 100 3.6-4.4 3.9/7375=67, 7350=53...(33) H LEU 100 + H SER 99 OK 95 95 100 100 2.4-2.8 3.4=100 Violated in 0 structures by 0.00 A. Peak 7374 from nnoeabs.peaks (3.76, 8.29, 116.35 ppm; 4.49 A): 2 out of 6 assignments used, quality = 1.00: HB2 SER 99 + H SER 99 OK 100 100 100 100 2.1-3.4 3.7=100 * HA GLU 97 + H SER 99 OK 99 100 100 99 3.7-5.2 3.6/7375=68, 2.8/7385=36...(26) HA LEU 43 - H GLU 40 far 0 70 0 - 7.2-8.2 HA SER 130 - H GLU 40 far 0 68 0 - 7.6-10.9 HA VAL 133 - H GLU 40 far 0 88 0 - 7.9-12.4 HB3 SER 130 - H GLU 40 far 0 81 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 7375 from nnoeabs.peaks (7.74, 8.29, 116.35 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 98 + H SER 99 OK 100 100 100 100 2.5-3.3 3.8=98, 3.9/3166=39...(23) H VAL 118 - H SER 99 far 0 85 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 7376 from nnoeabs.peaks (4.11, 8.29, 116.35 ppm; 4.25 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 98 + H SER 99 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLN 101 - H SER 99 far 0 100 0 - 6.2-6.9 HA ILE 80 - H GLU 40 far 0 70 0 - 7.6-11.9 HA ILE 32 - H GLU 40 far 0 88 0 - 8.9-18.0 HA GLN 104 - H SER 99 far 0 89 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7377 from nnoeabs.peaks (1.65, 8.29, 116.35 ppm; 4.17 A): 3 out of 15 assignments used, quality = 1.00: * HB2 LEU 98 + H SER 99 OK 100 100 100 100 3.0-4.2 3166=89, 3.9/7375=55...(18) HG LEU 43 + H GLU 40 OK 72 85 85 100 3.8-6.6 ~11897=42, ~9055=39...(25) HD2 LYS 39 + H GLU 40 OK 52 54 100 96 2.2-4.5 1203=37, 3.6/1159=35...(15) HD3 LYS 36 - H GLU 40 far 4 72 5 - 5.4-15.1 HD3 LYS 95 - H SER 99 far 0 99 0 - 5.9-8.9 HD3 LYS 24 - H SER 99 far 0 99 0 - 5.9-34.1 HD3 LYS 24 - H GLU 40 far 0 85 0 - 6.2-29.6 HD2 LYS 24 - H SER 99 far 0 98 0 - 6.6-35.2 HD2 LYS 36 - H GLU 40 far 0 72 0 - 6.7-14.0 HD2 LYS 95 - H SER 99 far 0 100 0 - 6.8-8.7 HD2 LYS 24 - H GLU 40 far 0 85 0 - 7.5-31.1 HB2 LEU 123 - H SER 99 far 0 100 0 - 8.6-12.0 HG3 ARG 23 - H GLU 40 far 0 54 0 - 8.9-35.2 HG3 ARG 23 - H SER 99 far 0 68 0 - 9.4-36.3 HD2 LYS 31 - H GLU 40 far 0 85 0 - 10.0-22.9 Violated in 0 structures by 0.00 A. Peak 7378 from nnoeabs.peaks (1.78, 8.29, 116.35 ppm; 3.96 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 98 + H SER 99 OK 100 100 100 100 2.2-3.8 1.8/3166=66, 4.6=63...(22) HB3 LEU 122 + H SER 99 OK 71 98 80 90 3.1-7.8 3.1/11382=19...(33) HB2 LYS 39 + H GLU 40 OK 57 59 100 97 2.1-3.7 4.7=62, 3.9/6445=41...(12) HB3 LEU 103 - H SER 99 far 0 99 0 - 6.0-7.6 HG LEU 100 - H SER 99 far 0 99 0 - 6.5-7.4 HB3 LYS 24 - H GLU 40 far 0 47 0 - 8.0-29.6 HB3 LYS 24 - H SER 99 far 0 60 0 - 8.1-31.1 Violated in 0 structures by 0.00 A. Peak 7379 from nnoeabs.peaks (1.71, 8.29, 116.35 ppm; 5.32 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 98 + H SER 99 OK 100 100 100 100 3.6-4.9 2.1/3191=92, 3.0/3166=85...(18) HD3 LYS 39 + H GLU 40 OK 88 88 100 100 2.2-4.6 1.8/1203=88, 1142/3.6=68...(17) HB2 LEU 43 + H GLU 40 OK 29 72 40 100 5.0-8.2 ~1246=56, ~11897=53...(22) HB2 LEU 70 - H SER 99 far 0 100 0 - 7.2-9.9 HB3 LEU 70 - H SER 99 far 0 100 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 7380 from nnoeabs.peaks (0.86, 8.29, 116.35 ppm; 4.53 A): 3 out of 11 assignments used, quality = 1.00: * QD1 LEU 98 + H SER 99 OK 100 100 100 100 2.3-4.8 3191=100, 3185/3.6=76...(23) QD2 LEU 98 + H SER 99 OK 93 93 100 100 1.3-4.2 2.1/3191=75, 3.1/3166=66...(26) QD2 LEU 70 + H SER 99 OK 42 99 45 94 4.9-7.7 11090/7374=29...(24) QG1 VAL 133 - H GLU 40 far 0 54 0 - 6.2-9.2 QG2 ILE 32 - H GLU 40 far 0 85 0 - 7.5-13.4 QD2 LEU 69 - H GLU 40 far 0 86 0 - 7.9-12.3 QD2 LEU 123 - H SER 99 far 0 78 0 - 8.0-10.6 QD2 LEU 22 - H GLU 40 far 0 66 0 - 8.3-29.2 QD2 LEU 69 - H SER 99 far 0 99 0 - 8.5-12.0 QG2 VAL 20 - H GLU 40 far 0 47 0 - 8.5-27.9 QG2 VAL 20 - H SER 99 far 0 60 0 - 9.2-31.9 Violated in 0 structures by 0.00 A. Peak 7381 from nnoeabs.peaks (0.88, 8.29, 116.35 ppm; 4.99 A): 4 out of 10 assignments used, quality = 1.00: * QD2 LEU 98 + H SER 99 OK 100 100 100 100 1.3-4.2 2.1/3191=86, 3.1/3166=77...(28) QD1 LEU 98 + H SER 99 OK 93 93 100 100 2.3-4.8 3191=90, 3185/3.6=77...(25) QG1 VAL 118 + H SER 99 OK 75 76 100 99 2.7-5.5 ~10271=56, 11599/2.9=56...(15) QD2 LEU 70 + H SER 99 OK 58 83 75 93 4.9-7.7 11090/7374=26...(23) QG2 ILE 32 - H GLU 40 far 0 63 0 - 7.5-13.4 QD2 LEU 69 - H GLU 40 far 0 86 0 - 7.9-12.3 QD2 LEU 123 - H SER 99 far 0 99 0 - 8.0-10.6 QD2 LEU 69 - H SER 99 far 0 99 0 - 8.5-12.0 QG2 VAL 20 - H GLU 40 far 0 77 0 - 8.5-27.9 QG2 VAL 20 - H SER 99 far 0 92 0 - 9.2-31.9 Violated in 0 structures by 0.00 A. Peak 7382 from nnoeabs.peaks (4.22, 8.29, 116.35 ppm; 3.73 A): 2 out of 10 assignments used, quality = 1.00: * HA SER 99 + H SER 99 OK 100 100 100 100 2.8-2.9 2.9=100 HB3 SER 38 + H GLU 40 OK 77 88 100 88 4.2-5.1 1134/6445=34, 10921=33...(9) HA SER 94 - H SER 99 far 0 92 0 - 6.5-7.8 HA GLN 27 - H SER 99 far 0 68 0 - 8.2-27.0 HA HIS 67 - H SER 99 far 0 100 0 - 8.4-10.2 HA ALA 34 - H GLU 40 far 0 86 0 - 9.1-12.6 HA GLN 27 - H GLU 40 far 0 54 0 - 9.3-25.5 HB THR 25 - H GLU 40 far 0 75 0 - 9.5-29.3 HA ALA 28 - H SER 99 far 0 83 0 - 9.7-24.0 HB THR 18 - H GLU 40 far 0 59 0 - 9.9-40.1 Violated in 0 structures by 0.00 A. Peak 7383 from nnoeabs.peaks (3.76, 8.29, 116.35 ppm; 4.49 A): 2 out of 6 assignments used, quality = 1.00: * HB2 SER 99 + H SER 99 OK 100 100 100 100 2.1-3.4 3.7=100 HA GLU 97 + H SER 99 OK 98 100 100 99 3.7-5.2 3.6/7375=68, 2.8/7385=36...(26) HA LEU 43 - H GLU 40 far 0 63 0 - 7.2-8.2 HA SER 130 - H GLU 40 far 0 61 0 - 7.6-10.9 HA VAL 133 - H GLU 40 far 0 85 0 - 7.9-12.4 HB3 SER 130 - H GLU 40 far 0 77 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 7384 from nnoeabs.peaks (4.00, 8.29, 116.35 ppm; 4.08 A): 3 out of 9 assignments used, quality = 1.00: * HB3 SER 99 + H SER 99 OK 100 100 100 100 2.1-3.6 3.7=100 HA LYS 95 + H SER 99 OK 90 93 100 97 3.6-4.5 3158/3166=44...(22) HB2 SER 38 + H GLU 40 OK 70 85 100 82 2.7-3.5 1.8/10921=42...(7) HA LEU 119 - H SER 99 far 4 83 5 - 5.3-10.1 HA ILE 37 - H GLU 40 far 0 77 0 - 6.6-8.4 HA LEU 103 - H SER 99 far 0 97 0 - 6.7-9.0 HB3 SER 124 - H SER 99 far 0 73 0 - 8.4-10.9 HB3 SER 106 - H SER 99 far 0 65 0 - 9.0-15.0 HB2 SER 124 - H SER 99 far 0 97 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 7385 from nnoeabs.peaks (8.49, 8.29, 116.35 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + H SER 99 OK 100 100 100 100 2.4-2.8 3.4=100 H GLU 97 + H SER 99 OK 93 95 100 98 3.6-4.4 3.9/7375=50, 7350=36...(31) H LEU 70 - H SER 99 far 0 78 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 7386 from nnoeabs.peaks (7.68, 8.29, 116.35 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 101 + H SER 99 OK 100 100 100 100 3.5-4.3 7407=100, 3155/3.6=82...(30) H LYS 95 + H SER 99 OK 59 65 100 90 5.8-6.6 2.9/2960=36, ~11341=21...(22) H CYS 45 - H GLU 40 far 0 85 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 7387 from nnoeabs.peaks (8.49, 8.49, 120.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 100 + H LEU 100 OK 100 100 - 100 Peak 7388 from nnoeabs.peaks (4.04, 8.49, 120.88 ppm; 4.87 A): 4 out of 10 assignments used, quality = 1.00: * HA LEU 96 + H LEU 100 OK 98 100 100 98 3.0-5.0 3061=29, 3.0/3073=28...(28) HA LEU 122 + H LEU 100 OK 96 99 100 98 3.9-5.2 3214/3219=30...(35) HA LYS 95 + H LEU 100 OK 49 78 75 84 6.0-6.7 11341=23, 2960/3.4=22...(17) HA LEU 103 + H LEU 100 OK 32 71 45 99 5.8-7.5 3.0/10047=40, ~7424=36...(24) HA LEU 119 - H LEU 100 far 5 90 5 - 5.5-8.8 HA GLU 102 - H LEU 100 far 0 98 0 - 6.6-7.0 HB3 SER 124 - H LEU 100 far 0 96 0 - 8.7-10.7 HB2 SER 74 - H LEU 100 far 0 68 0 - 8.9-11.9 HB3 SER 74 - H LEU 100 far 0 65 0 - 9.2-12.4 HA ALA 92 - H LEU 100 far 0 99 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 7389 from nnoeabs.peaks (3.76, 8.49, 120.88 ppm; 4.77 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 97 + H LEU 100 OK 100 100 100 100 3.0-4.4 3115/3.9=67...(34) HB2 SER 99 + H LEU 100 OK 100 100 100 100 2.4-4.1 4.5=100 Violated in 0 structures by 0.00 A. Peak 7390 from nnoeabs.peaks (7.74, 8.49, 120.88 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 98 + H LEU 100 OK 100 100 100 100 3.9-5.0 7375/3.4=100, ~3155=72...(28) H VAL 118 + H LEU 100 OK 28 85 95 34 6.6-9.1 ~10039=18, 7638/2.9=12...(4) Violated in 0 structures by 0.00 A. Peak 7391 from nnoeabs.peaks (4.11, 8.49, 120.88 ppm; 4.78 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 98 + H LEU 100 OK 100 100 100 100 4.6-5.5 3155/3.1=67, 9195=46...(22) HA GLN 101 + H LEU 100 OK 99 100 100 100 5.1-5.3 10048/7398=55...(19) HA GLN 104 - H LEU 100 far 0 89 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 7392 from nnoeabs.peaks (8.29, 8.49, 120.88 ppm; 3.92 A): 1 out of 6 assignments used, quality = 1.00: * H SER 99 + H LEU 100 OK 100 100 100 100 2.4-2.8 3.4=100 H LEU 96 - H LEU 100 far 4 89 5 - 5.4-6.6 H VAL 126 - H LEU 100 far 0 100 0 - 6.9-8.4 H ALA 110 - H LEU 100 far 0 98 0 - 7.8-18.5 H LEU 69 - H LEU 100 far 0 99 0 - 9.7-11.4 H GLY 111 - H LEU 100 far 0 97 0 - 9.8-18.3 Violated in 0 structures by 0.00 A. Peak 7393 from nnoeabs.peaks (4.22, 8.49, 120.88 ppm; 4.91 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 99 + H LEU 100 OK 100 100 100 100 3.5-3.6 3.6=100 HA HIS 67 - H LEU 100 far 5 100 5 - 6.4-8.0 HA SER 94 - H LEU 100 far 0 92 0 - 7.7-8.7 HA GLN 27 - H LEU 100 far 0 68 0 - 8.9-24.8 HA VAL 105 - H LEU 100 far 0 65 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 7394 from nnoeabs.peaks (3.76, 8.49, 120.88 ppm; 4.77 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 99 + H LEU 100 OK 100 100 100 100 2.4-4.1 4.5=100 HA GLU 97 + H LEU 100 OK 100 100 100 100 3.0-4.4 3115/3.9=67...(34) Violated in 0 structures by 0.00 A. Peak 7395 from nnoeabs.peaks (4.00, 8.49, 120.88 ppm; 4.32 A): 1 out of 7 assignments used, quality = 0.97: * HB3 SER 99 + H LEU 100 OK 97 100 100 97 2.4-3.3 3219=88, ~7405=16...(19) HA LEU 103 - H LEU 100 far 5 97 5 - 5.8-7.5 HA LEU 119 - H LEU 100 far 4 83 5 - 5.5-8.8 HA LYS 95 - H LEU 100 far 0 93 0 - 6.0-6.7 HB3 SER 124 - H LEU 100 far 0 73 0 - 8.7-10.7 HB3 SER 106 - H LEU 100 far 0 65 0 - 9.2-12.9 HB2 SER 124 - H LEU 100 far 0 97 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 7396 from nnoeabs.peaks (3.96, 8.49, 120.88 ppm; 4.37 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 100 + H LEU 100 OK 100 100 100 100 2.8-2.9 2.9=100 HB3 SER 107 - H LEU 100 lone 5 100 30 16 5.0-14.3 3266/7401=6, 7445/7403=6...(4) HD3 PRO 117 - H LEU 100 far 0 98 0 - 8.6-13.0 HB2 SER 106 - H LEU 100 far 0 100 0 - 9.0-12.5 HB3 SER 106 - H LEU 100 far 0 89 0 - 9.2-12.9 HB3 SER 94 - H LEU 100 far 0 97 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 7397 from nnoeabs.peaks (1.82, 8.49, 120.88 ppm; 3.62 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 100 + H LEU 100 OK 100 100 100 100 2.0-2.6 3.9=78, 1.8/7398=69...(42) HB3 LEU 122 + H LEU 100 OK 48 63 90 86 2.3-5.5 3.1/10026=17...(33) HB3 LEU 103 + H LEU 100 OK 48 60 90 89 4.2-5.4 ~3370=18, 3222/2.9=18...(25) HB3 LEU 123 - H LEU 100 far 0 81 0 - 8.3-10.6 HB3 LYS 26 - H LEU 100 far 0 100 0 - 9.0-24.4 HB VAL 93 - H LEU 100 far 0 99 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 7398 from nnoeabs.peaks (1.38, 8.49, 120.88 ppm; 3.76 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 100 + H LEU 100 OK 100 100 100 100 2.4-3.3 3.9=88, 3260/3257=56...(41) HG LEU 96 - H LEU 100 poor 17 87 20 - 5.1-7.0 HB2 LEU 96 - H LEU 100 far 10 100 10 - 5.1-7.0 QB ALA 108 - H LEU 100 far 0 100 0 - 5.5-13.5 QB ALA 110 - H LEU 100 far 0 100 0 - 5.9-17.6 HG3 LYS 95 - H LEU 100 far 0 99 0 - 7.5-9.5 QB ALA 29 - H LEU 100 far 0 100 0 - 7.9-15.1 HG2 LYS 95 - H LEU 100 far 0 99 0 - 8.0-9.4 QB ALA 109 - H LEU 100 far 0 98 0 - 8.1-14.7 HG2 LYS 24 - H LEU 100 far 0 100 0 - 9.4-31.5 Violated in 0 structures by 0.00 A. Peak 7399 from nnoeabs.peaks (1.78, 8.49, 120.88 ppm; 3.54 A): 4 out of 6 assignments used, quality = 1.00: * HG LEU 100 + H LEU 100 OK 100 100 100 100 4.3-4.7 2.1/3257=64, 2.1/7401=52...(35) HB3 LEU 122 + H LEU 100 OK 72 89 90 90 2.3-5.5 3.1/10026=17...(35) HB3 LEU 103 + H LEU 100 OK 68 90 85 89 4.2-5.4 ~3370=17, 3.9/10047=16...(27) HB3 LEU 98 + H LEU 100 OK 63 99 65 98 4.6-6.4 ~3166=24, ~3166=24...(35) HB2 LYS 26 - H LEU 100 far 0 65 0 - 9.1-23.4 HB2 ARG 23 - H LEU 100 far 0 78 0 - 9.3-32.6 Violated in 3 structures by 0.06 A. Peak 7400 from nnoeabs.peaks (0.68, 8.49, 120.88 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + H LEU 100 OK 100 100 100 100 2.7-4.1 3257=100, 3258/2.9=81...(34) QD2 LEU 62 - H LEU 100 far 0 100 0 - 6.0-8.7 Violated in 3 structures by 0.00 A. Peak 7401 from nnoeabs.peaks (0.60, 8.49, 120.88 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + H LEU 100 OK 100 100 100 100 3.6-4.3 2.1/3257=83, 3266/2.9=67...(39) Violated in 6 structures by 0.03 A. Peak 7402 from nnoeabs.peaks (7.68, 8.49, 120.88 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + H LEU 100 OK 100 100 100 100 2.4-2.7 3.1=100 H LYS 95 - H LEU 100 far 0 65 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 7403 from nnoeabs.peaks (7.85, 8.49, 120.88 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + H LEU 100 OK 100 100 100 100 3.8-4.2 7443/3.6=85, 7444=77...(20) H GLN 68 - H LEU 100 far 0 95 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 7404 from nnoeabs.peaks (7.68, 7.68, 119.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 101 + H GLN 101 OK 100 100 - 100 Peak 7405 from nnoeabs.peaks (3.76, 7.68, 119.11 ppm; 5.50 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 97 + H GLN 101 OK 100 100 100 100 1.8-3.6 3115/4.6=73...(37) HB2 SER 99 + H GLN 101 OK 100 100 100 100 4.8-6.5 3.7/7407=71, ~7395=65...(23) Violated in 0 structures by 0.00 A. Peak 7406 from nnoeabs.peaks (4.11, 7.68, 119.11 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: HA GLN 101 + H GLN 101 OK 100 100 100 100 2.7-2.8 2.9=100 * HA LEU 98 + H GLN 101 OK 99 100 100 99 3.8-4.6 3155=55, 3157/7418=49...(27) HA GLN 104 - H GLN 101 far 0 89 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 7407 from nnoeabs.peaks (8.29, 7.68, 119.11 ppm; 4.95 A): 1 out of 6 assignments used, quality = 1.00: * H SER 99 + H GLN 101 OK 100 100 100 100 3.5-4.3 3.6/3155=66, ~7443=42...(30) H LEU 96 - H GLN 101 far 0 89 0 - 6.5-7.4 H VAL 126 - H GLN 101 far 0 100 0 - 8.4-10.1 H LEU 69 - H GLN 101 far 0 99 0 - 9.0-11.2 H ALA 110 - H GLN 101 far 0 98 0 - 9.6-18.6 H TYR 72 - H GLN 101 far 0 57 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 7408 from nnoeabs.peaks (4.22, 7.68, 119.11 ppm; 5.09 A): 2 out of 8 assignments used, quality = 1.00: * HA SER 99 + H GLN 101 OK 100 100 100 100 4.6-5.3 7443/3.1=82, 2.9/7407=71...(14) HA HIS 67 + H GLN 101 OK 69 100 80 87 5.1-7.4 10037/7415=59...(7) HA VAL 105 - H GLN 101 far 0 65 0 - 7.0-10.3 HA SER 94 - H GLN 101 far 0 92 0 - 7.3-8.8 HA GLN 27 - H GLN 101 far 0 68 0 - 7.5-24.4 HA ALA 28 - H GLN 101 far 0 83 0 - 9.4-21.5 HA GLU 30 - H GLN 101 far 0 99 0 - 9.5-20.8 HA ALA 29 - H GLN 101 far 0 97 0 - 9.5-18.6 Violated in 0 structures by 0.00 A. Peak 7409 from nnoeabs.peaks (8.49, 7.68, 119.11 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + H GLN 101 OK 100 100 100 100 2.4-2.7 3.1=100 H GLU 97 + H GLN 101 OK 77 95 90 91 4.4-5.3 4.0/7417=21, 3232/4.6=15...(26) H LEU 70 - H GLN 101 far 0 78 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 7410 from nnoeabs.peaks (3.96, 7.68, 119.11 ppm; 4.46 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 100 + H GLN 101 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 107 - H GLN 101 far 5 100 5 - 5.9-13.0 HB2 SER 106 - H GLN 101 far 0 100 0 - 7.5-11.8 HB3 SER 106 - H GLN 101 far 0 89 0 - 7.6-12.3 HB3 SER 94 - H GLN 101 far 0 97 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 7411 from nnoeabs.peaks (1.82, 7.68, 119.11 ppm; 4.03 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 100 + H GLN 101 OK 100 100 100 100 2.2-3.3 4.6=66, 1.8/7412=49...(35) HB3 LEU 103 + H GLN 101 OK 50 60 90 92 4.4-5.6 3.9/7424=38, ~10066=33...(18) HB3 LEU 122 + H GLN 101 OK 40 63 80 81 4.5-6.7 3.1/11398=27...(22) HB3 LYS 26 - H GLN 101 far 0 100 0 - 7.1-24.5 HB VAL 93 - H GLN 101 far 0 99 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 7412 from nnoeabs.peaks (1.38, 7.68, 119.11 ppm; 4.22 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 100 + H GLN 101 OK 100 100 100 100 3.6-4.2 4.6=76, 7398/3.1=67...(37) HG LEU 96 + H GLN 101 OK 44 87 55 93 5.2-7.4 11918/7415=29...(27) HB2 LEU 96 - H GLN 101 far 0 100 0 - 6.1-7.8 QB ALA 29 - H GLN 101 far 0 100 0 - 6.2-14.9 QB ALA 108 - H GLN 101 far 0 100 0 - 6.4-12.9 QB ALA 110 - H GLN 101 far 0 100 0 - 7.7-17.7 QB ALA 109 - H GLN 101 far 0 98 0 - 8.2-14.7 HG3 LYS 26 - H GLN 101 far 0 100 0 - 8.8-25.3 HG3 LYS 95 - H GLN 101 far 0 99 0 - 9.0-10.9 HG2 LYS 95 - H GLN 101 far 0 99 0 - 9.4-10.6 QB ALA 28 - H GLN 101 far 0 100 0 - 9.5-18.7 Violated in 0 structures by 0.00 A. Peak 7413 from nnoeabs.peaks (1.78, 7.68, 119.11 ppm; 4.22 A): 4 out of 6 assignments used, quality = 1.00: * HG LEU 100 + H GLN 101 OK 100 100 100 100 3.5-4.9 2.1/3264=64, 2.1/7415=60...(32) HB3 LEU 103 + H GLN 101 OK 86 90 100 95 4.4-5.6 3.9/7424=42, ~10066=37...(19) HB3 LEU 122 + H GLN 101 OK 67 89 85 89 4.5-6.7 3.1/11398=29...(25) HB3 LEU 98 + H GLN 101 OK 44 99 45 98 5.4-6.1 3.0/3155=55, 4.6/7407=36...(21) HB2 LYS 26 - H GLN 101 far 0 65 0 - 6.9-24.0 HB2 ARG 23 - H GLN 101 far 0 78 0 - 8.9-31.5 Violated in 1 structures by 0.00 A. Peak 7414 from nnoeabs.peaks (0.68, 7.68, 119.11 ppm; 6.22 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + H GLN 101 OK 100 100 100 100 1.8-4.6 3264=100, 3258/3.6=100...(37) QD2 LEU 62 - H GLN 101 poor 17 100 30 56 6.4-9.5 10942/4.6=39...(8) Violated in 0 structures by 0.00 A. Peak 7415 from nnoeabs.peaks (0.60, 7.68, 119.11 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + H GLN 101 OK 100 100 100 100 2.3-4.5 2.1/3264=79, 7401/3.1=73...(39) Violated in 0 structures by 0.00 A. Peak 7416 from nnoeabs.peaks (4.10, 7.68, 119.11 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + H GLN 101 OK 100 100 100 100 2.7-2.8 2.9=100 HA LEU 98 + H GLN 101 OK 99 100 100 99 3.8-4.6 3155=55, 3157/7418=49...(27) HA GLN 104 - H GLN 101 far 0 93 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 7417 from nnoeabs.peaks (2.21, 7.68, 119.11 ppm; 3.28 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + H GLN 101 OK 100 100 100 100 2.2-3.6 3286=70, 1.8/7418=70...(35) HB3 GLU 97 + H GLN 101 OK 88 97 95 95 2.9-5.2 11237/3.1=35...(30) HB3 GLN 104 - H GLN 101 far 14 90 15 - 4.0-9.1 HB2 GLN 104 - H GLN 101 far 0 89 0 - 4.8-8.0 HB3 GLU 102 - H GLN 101 far 0 76 0 - 4.8-6.4 HB3 LEU 96 - H GLN 101 far 0 57 0 - 5.7-7.7 Violated in 1 structures by 0.01 A. Peak 7418 from nnoeabs.peaks (2.30, 7.68, 119.11 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 101 + H GLN 101 OK 100 100 100 100 2.2-3.6 3296=71, 1.8/3286=60...(35) HG2 GLU 97 - H GLN 101 poor 12 60 20 - 3.7-5.6 HB3 PRO 113 - H GLN 101 far 0 68 0 - 9.6-20.3 Violated in 4 structures by 0.04 A. Peak 7419 from nnoeabs.peaks (2.42, 7.68, 119.11 ppm; 3.70 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + H GLN 101 OK 100 100 100 100 2.5-4.0 3305=100, 1.8/3314=80...(31) HG3 GLU 97 + H GLN 101 OK 67 100 70 96 3.7-6.8 2.9/7417=30...(33) Violated in 3 structures by 0.02 A. Peak 7420 from nnoeabs.peaks (2.56, 7.68, 119.11 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + H GLN 101 OK 100 100 100 100 2.6-3.1 3314=100, 1.8/3305=70...(33) Violated in 0 structures by 0.00 A. Peak 7423 from nnoeabs.peaks (7.85, 7.68, 119.11 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + H GLN 101 OK 100 100 100 100 2.7-3.0 3.1=100 H GLN 68 - H GLN 101 far 0 95 0 - 8.6-10.9 Violated in 0 structures by 0.00 A. Peak 7424 from nnoeabs.peaks (8.08, 7.68, 119.11 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 103 + H GLN 101 OK 98 100 100 98 3.8-4.4 7463/3.6=56, 7464=50...(15) H ALA 108 - H GLN 101 far 0 100 0 - 7.3-12.8 H ALA 109 - H GLN 101 far 0 100 0 - 9.6-16.3 Violated in 0 structures by 0.00 A. Peak 7425 from nnoeabs.peaks (6.79, 6.79, 111.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 101 + HE21 GLN 101 OK 100 100 - 100 Peak 7426 from nnoeabs.peaks (7.68, 6.79, 111.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HE21 GLN 101 OK 100 100 100 100 6.0-6.5 6.8=100 H LYS 95 - HE21 GLN 101 far 3 65 5 - 8.3-12.1 Violated in 0 structures by 0.00 A. Peak 7427 from nnoeabs.peaks (4.10, 6.79, 111.00 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.99: HA LEU 98 + HE21 GLN 101 OK 98 100 100 98 2.9-5.5 3157/7429=57...(9) * HA GLN 101 + HE21 GLN 101 OK 55 100 55 100 4.7-6.6 3277/3.5=77, 5.1=77...(9) HA GLN 104 - HE21 GLN 101 far 0 93 0 - 9.3-12.3 Violated in 1 structures by 0.00 A. Peak 7428 from nnoeabs.peaks (2.21, 6.79, 111.00 ppm; 4.41 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + HE21 GLN 101 OK 100 100 100 100 3.2-4.8 4.5=93, 1.8/7429=76...(11) HB3 GLU 97 + HE21 GLN 101 OK 78 97 95 84 3.9-7.3 7436/1.7=32...(10) HB3 GLU 102 - HE21 GLN 101 poor 16 76 45 48 4.5-7.7 3316/3.5=16, 4101/3.5=11...(9) HB2 GLN 104 - HE21 GLN 101 far 0 89 0 - 7.1-11.9 HB3 GLN 104 - HE21 GLN 101 far 0 90 0 - 8.5-13.0 HB3 LEU 96 - HE21 GLN 101 far 0 57 0 - 10.0-12.2 Violated in 3 structures by 0.03 A. Peak 7429 from nnoeabs.peaks (2.30, 6.79, 111.00 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 101 + HE21 GLN 101 OK 100 100 100 100 3.8-5.0 4.5=98, 7437/1.7=73...(14) HG2 GLU 97 - HE21 GLN 101 far 9 60 15 - 5.2-8.1 HG2 GLU 30 - HE21 GLN 101 far 0 95 0 - 9.5-28.7 Violated in 18 structures by 0.24 A. Peak 7430 from nnoeabs.peaks (2.42, 6.79, 111.00 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + HE21 GLN 101 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLU 97 - HE21 GLN 101 far 5 100 5 - 3.6-9.3 Violated in 7 structures by 0.09 A. Peak 7431 from nnoeabs.peaks (2.56, 6.79, 111.00 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HE21 GLN 101 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 19 structures by 0.24 A. Peak 7432 from nnoeabs.peaks (7.38, 6.79, 111.00 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HE21 GLN 101 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7433 from nnoeabs.peaks (7.38, 7.38, 111.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HE22 GLN 101 OK 100 100 - 100 Peak 7434 from nnoeabs.peaks (7.68, 7.38, 111.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HE22 GLN 101 OK 100 100 100 100 4.5-5.7 6.8=100 H LYS 95 - HE22 GLN 101 far 3 65 5 - 7.9-11.5 Violated in 0 structures by 0.00 A. Peak 7435 from nnoeabs.peaks (4.10, 7.38, 111.00 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.99: HA LEU 98 + HE22 GLN 101 OK 97 100 100 97 2.0-5.2 3157/4.5=49, 7427/1.7=45...(9) * HA GLN 101 + HE22 GLN 101 OK 75 100 75 100 3.0-5.9 3277/7438=72...(9) HA GLN 104 - HE22 GLN 101 far 0 93 0 - 8.2-11.6 Violated in 0 structures by 0.00 A. Peak 7436 from nnoeabs.peaks (2.21, 7.38, 111.00 ppm; 4.31 A): 3 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + HE22 GLN 101 OK 100 100 100 100 1.9-4.5 4.5=87, 2.9/7439=81...(11) HB3 GLU 97 + HE22 GLN 101 OK 81 97 100 83 3.1-5.8 7428/1.7=30...(10) HB3 GLU 102 + HE22 GLN 101 OK 23 76 65 46 3.2-7.5 3316/7439=16...(8) HB2 GLN 104 - HE22 GLN 101 far 4 89 5 - 5.8-10.7 HB3 GLN 104 - HE22 GLN 101 far 0 90 0 - 7.5-12.1 HB3 LEU 96 - HE22 GLN 101 far 0 57 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 7437 from nnoeabs.peaks (2.30, 7.38, 111.00 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 101 + HE22 GLN 101 OK 100 100 100 100 3.1-4.5 4.5=92, 2.9/7439=83...(13) HG2 GLU 97 - HE22 GLN 101 poor 11 60 40 44 4.2-8.2 2.9/7436=26, ~7428=18 HG2 GLU 30 - HE22 GLN 101 far 0 95 0 - 9.8-28.0 Violated in 3 structures by 0.01 A. Peak 7438 from nnoeabs.peaks (2.42, 7.38, 111.00 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + HE22 GLN 101 OK 100 100 100 100 2.1-3.5 3.5=91, 1.8/7439=75...(12) HG3 GLU 97 - HE22 GLN 101 far 15 100 15 - 4.2-8.4 Violated in 3 structures by 0.01 A. Peak 7439 from nnoeabs.peaks (2.56, 7.38, 111.00 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.99: * HG3 GLN 101 + HE22 GLN 101 OK 99 100 100 99 2.1-3.5 3.5=81, 1.8/7438=67...(12) Violated in 6 structures by 0.04 A. Peak 7440 from nnoeabs.peaks (6.79, 7.38, 111.00 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 101 + HE22 GLN 101 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7441 from nnoeabs.peaks (7.85, 7.85, 118.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + H GLU 102 OK 100 100 - 100 Peak 7442 from nnoeabs.peaks (4.11, 7.85, 118.36 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: HA GLN 101 + H GLU 102 OK 100 100 100 100 3.5-3.6 3.5=100 * HA LEU 98 + H GLU 102 OK 98 100 100 98 3.6-4.4 3157/7449=61...(14) HA GLN 104 - H GLU 102 far 0 89 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 7443 from nnoeabs.peaks (4.22, 7.85, 118.36 ppm; 4.15 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 99 + H GLU 102 OK 100 100 100 100 3.9-4.4 3205=66, 3332/7455=59...(17) HA VAL 105 - H GLU 102 far 0 65 0 - 6.1-8.1 HA GLN 27 - H GLU 102 far 0 68 0 - 7.0-26.8 HA HIS 67 - H GLU 102 far 0 100 0 - 7.4-9.8 HA SER 94 - H GLU 102 far 0 92 0 - 8.6-10.5 HB THR 25 - H GLU 102 far 0 90 0 - 9.6-30.0 Violated in 16 structures by 0.10 A. Peak 7444 from nnoeabs.peaks (8.49, 7.85, 118.36 ppm; 5.15 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 100 + H GLU 102 OK 100 100 100 100 3.8-4.2 7403=78, 3.6/7443=77...(20) H GLU 97 + H GLU 102 OK 30 95 35 91 6.4-7.6 4.0/11237=46...(11) Violated in 0 structures by 0.00 A. Peak 7445 from nnoeabs.peaks (3.96, 7.85, 118.36 ppm; 4.44 A): 1 out of 7 assignments used, quality = 0.99: * HA LEU 100 + H GLU 102 OK 99 100 100 99 3.8-4.4 7463/3.0=53, 4.9/7443=45...(20) HB3 SER 107 - H GLU 102 poor 20 100 30 66 4.2-12.6 10106/10068=22...(13) HB2 SER 106 - H GLU 102 far 0 100 0 - 6.3-10.5 HB3 SER 106 - H GLU 102 far 0 89 0 - 6.4-11.0 HD3 PRO 117 - H GLU 102 far 0 98 0 - 8.3-14.2 HA2 GLY 111 - H GLU 102 far 0 57 0 - 9.0-19.1 HD3 PRO 113 - H GLU 102 far 0 73 0 - 9.7-20.3 Violated in 0 structures by 0.00 A. Peak 7446 from nnoeabs.peaks (7.68, 7.85, 118.36 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + H GLU 102 OK 100 100 100 100 2.7-3.0 3.1=100 H LYS 95 - H GLU 102 far 0 65 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 7447 from nnoeabs.peaks (4.10, 7.85, 118.36 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + H GLU 102 OK 100 100 100 100 3.5-3.6 3.5=100 HA LEU 98 + H GLU 102 OK 98 100 100 98 3.6-4.4 3157/7449=62...(14) HA GLN 104 - H GLU 102 far 0 93 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 7448 from nnoeabs.peaks (2.21, 7.85, 118.36 ppm; 3.50 A): 3 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + H GLU 102 OK 100 100 100 100 3.6-4.2 1.8/7449=70, 3286/3.1=49...(22) HB3 GLU 102 + H GLU 102 OK 76 76 100 100 2.2-3.6 3.8=75, 1.8/7455=75...(27) HB3 GLU 97 + H GLU 102 OK 55 97 65 88 4.6-7.6 11237=37, 7417/3.1=26...(18) HB3 GLN 104 - H GLU 102 far 14 90 15 - 4.5-8.3 HB2 GLN 104 - H GLU 102 far 4 89 5 - 4.9-7.5 HB3 LEU 96 - H GLU 102 far 0 57 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 7449 from nnoeabs.peaks (2.30, 7.85, 118.36 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 101 + H GLU 102 OK 100 100 100 100 3.6-4.2 3304=69, 7418/3.1=57...(23) HG2 GLU 97 - H GLU 102 far 0 60 0 - 5.9-8.0 HB3 PRO 113 - H GLU 102 far 0 68 0 - 8.6-19.7 Violated in 20 structures by 0.22 A. Peak 7450 from nnoeabs.peaks (2.42, 7.85, 118.36 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + H GLU 102 OK 100 100 100 100 1.8-3.9 1.8/7451=83, 3313=82...(25) HG3 GLU 97 - H GLU 102 far 5 100 5 - 5.3-9.0 Violated in 0 structures by 0.00 A. Peak 7451 from nnoeabs.peaks (2.56, 7.85, 118.36 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + H GLU 102 OK 100 100 100 100 1.6-3.5 3322=82, 2.9/7449=70...(29) Violated in 0 structures by 0.00 A. Peak 7454 from nnoeabs.peaks (4.05, 7.85, 118.36 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 102 + H GLU 102 OK 100 100 100 100 2.8-2.9 2.9=100 HA LEU 96 - H GLU 102 far 0 98 0 - 6.9-8.9 HA LEU 119 - H GLU 102 far 0 71 0 - 7.8-11.5 HA LEU 122 - H GLU 102 far 0 100 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 7455 from nnoeabs.peaks (2.08, 7.85, 118.36 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 102 + H GLU 102 OK 100 100 100 100 2.2-3.7 3.8=69, 3.0/7458=48...(20) HB3 GLN 27 - H GLU 102 far 0 81 0 - 5.6-26.7 HB VAL 118 - H GLU 102 far 0 71 0 - 6.6-8.4 HG2 PRO 117 - H GLU 102 far 0 63 0 - 7.4-13.0 HB VAL 126 - H GLU 102 far 0 76 0 - 9.8-14.1 Violated in 15 structures by 0.14 A. Peak 7456 from nnoeabs.peaks (2.23, 7.85, 118.36 ppm; 3.54 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLU 102 + H GLU 102 OK 100 100 100 100 2.2-3.6 3.8=78, 1.8/7455=76...(27) HB2 GLN 101 + H GLU 102 OK 76 76 100 100 3.6-4.2 1.8/7449=72, 2.9/7451=46...(21) HB3 GLU 97 + H GLU 102 OK 49 95 65 80 4.6-7.6 11237=20, 3298/7449=19...(18) HB3 GLN 104 - H GLU 102 far 15 99 15 - 4.5-8.3 HB3 LEU 96 - H GLU 102 far 0 99 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 7457 from nnoeabs.peaks (2.36, 7.85, 118.36 ppm; 3.78 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 102 + H GLU 102 OK 100 100 100 100 2.4-4.0 3348=78, 1.8/7458=77...(17) HG3 GLN 27 - H GLU 102 far 5 100 5 - 5.1-25.9 HG2 GLN 27 - H GLU 102 far 5 99 5 - 4.8-27.4 HG2 GLN 104 - H GLU 102 far 0 76 0 - 5.3-9.3 HB2 PRO 117 - H GLU 102 far 0 100 0 - 9.0-15.0 Violated in 6 structures by 0.02 A. Peak 7458 from nnoeabs.peaks (2.52, 7.85, 118.36 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 102 + H GLU 102 OK 100 100 100 100 2.6-3.8 3355=85, 1.8/7457=71...(18) Violated in 2 structures by 0.01 A. Peak 7459 from nnoeabs.peaks (8.08, 7.85, 118.36 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 103 + H GLU 102 OK 100 100 100 100 2.1-2.5 3.0=100 H ALA 108 - H GLU 102 far 0 100 0 - 5.2-12.3 H ALA 109 - H GLU 102 far 0 100 0 - 7.3-15.5 H THR 25 - H GLU 102 far 0 81 0 - 10.0-29.8 Violated in 0 structures by 0.00 A. Peak 7460 from nnoeabs.peaks (7.90, 7.85, 118.36 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 104 + H GLU 102 OK 100 100 100 100 3.7-4.9 7483=100, 7484/2.9=97...(15) H SER 106 + H GLU 102 OK 56 100 60 93 5.2-8.6 11781/2.9=60...(10) HD22 ASN 116 - H GLU 102 far 0 83 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 7461 from nnoeabs.peaks (8.08, 8.08, 120.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 103 + H LEU 103 OK 100 100 - 100 Peak 7462 from nnoeabs.peaks (4.22, 8.08, 120.56 ppm; 5.89 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 99 + H LEU 103 OK 100 100 100 100 3.9-4.9 7443/3.0=95...(13) HA VAL 105 + H LEU 103 OK 64 65 100 98 5.6-7.0 3.0/7519=55, ~7520=51...(11) HA GLN 27 - H LEU 103 far 3 68 5 - 6.9-26.2 HA HIS 67 - H LEU 103 far 0 100 0 - 7.5-9.4 HA GLU 30 - H LEU 103 far 0 99 0 - 9.7-22.4 Violated in 0 structures by 0.00 A. Peak 7463 from nnoeabs.peaks (3.96, 8.08, 120.56 ppm; 4.30 A): 2 out of 9 assignments used, quality = 1.00: * HA LEU 100 + H LEU 103 OK 100 100 100 100 2.8-3.3 3228=51, 7445/3.0=49...(23) HB3 SER 107 + H LEU 103 OK 23 100 30 76 2.7-12.0 11853/11705=33...(16) HB2 SER 106 - H LEU 103 far 10 100 10 - 5.3-9.7 HB3 SER 106 - H LEU 103 far 0 89 0 - 6.1-10.5 HD3 PRO 117 - H LEU 103 far 0 98 0 - 6.8-13.8 HA2 GLY 111 - H LEU 103 far 0 57 0 - 7.4-17.0 HD3 PRO 113 - H LEU 103 far 0 73 0 - 7.8-18.2 HA3 GLY 111 - H LEU 103 far 0 90 0 - 8.7-17.5 HA3 GLY 17 - H LEU 103 far 0 100 0 - 9.8-41.8 Violated in 0 structures by 0.00 A. Peak 7464 from nnoeabs.peaks (7.68, 8.08, 120.56 ppm; 6.16 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 101 + H LEU 103 OK 100 100 100 100 3.8-4.4 7424=100, 3.6/3228=79...(15) Violated in 0 structures by 0.00 A. Peak 7465 from nnoeabs.peaks (4.10, 8.08, 120.56 ppm; 4.83 A): 3 out of 3 assignments used, quality = 1.00: * HA GLN 101 + H LEU 103 OK 99 100 100 99 3.8-4.5 2.9/7424=66...(19) HA GLN 104 + H LEU 103 OK 92 93 100 98 4.9-5.6 3.0/7485=87, 3.6/7519=37...(10) HA LEU 98 + H LEU 103 OK 73 100 90 81 5.3-6.6 3155/7424=49...(8) Violated in 0 structures by 0.00 A. Peak 7466 from nnoeabs.peaks (7.85, 8.08, 120.56 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + H LEU 103 OK 100 100 100 100 2.1-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 7467 from nnoeabs.peaks (4.05, 8.08, 120.56 ppm; 4.31 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 102 + H LEU 103 OK 100 100 100 100 3.4-3.5 3.6=100 HA LEU 119 - H LEU 103 far 0 71 0 - 6.8-10.2 HA LEU 96 - H LEU 103 far 0 98 0 - 7.5-9.4 HA LEU 122 - H LEU 103 far 0 100 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 7468 from nnoeabs.peaks (2.08, 8.08, 120.56 ppm; 4.09 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 102 + H LEU 103 OK 100 100 100 100 2.8-4.3 1.8/7469=80, 4.6=72...(21) HB VAL 118 + H LEU 103 OK 31 71 45 97 5.0-8.2 2.1/11705=52...(13) HG2 PRO 117 - H LEU 103 far 0 63 0 - 6.5-12.9 HB3 GLN 27 - H LEU 103 far 0 81 0 - 6.6-25.9 HG3 PRO 113 - H LEU 103 far 0 81 0 - 8.0-18.8 HB2 LEU 62 - H LEU 103 far 0 71 0 - 9.8-12.3 HB VAL 126 - H LEU 103 far 0 76 0 - 9.8-14.3 Violated in 3 structures by 0.01 A. Peak 7469 from nnoeabs.peaks (2.23, 8.08, 120.56 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 102 + H LEU 103 OK 100 100 100 100 3.1-4.2 4.6=65, 1.8/7468=55...(24) HB2 GLN 101 - H LEU 103 poor 15 76 20 - 5.2-5.8 HB3 GLN 104 - H LEU 103 far 15 99 15 - 4.0-6.8 HB3 GLU 97 - H LEU 103 far 0 95 0 - 6.5-9.4 HB3 LEU 96 - H LEU 103 far 0 99 0 - 8.6-11.2 Violated in 1 structures by 0.01 A. Peak 7470 from nnoeabs.peaks (2.36, 8.08, 120.56 ppm; 5.18 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 102 + H LEU 103 OK 100 100 100 100 3.3-5.3 3354=92, 7457/3.0=89...(18) HG2 GLN 104 + H LEU 103 OK 48 76 65 96 3.8-7.9 5.0/7485=65...(10) HG3 GLN 27 - H LEU 103 far 5 100 5 - 5.2-25.3 HG2 GLN 27 - H LEU 103 far 5 99 5 - 4.8-26.8 HB2 PRO 117 - H LEU 103 far 0 100 0 - 8.4-14.7 HG3 GLU 30 - H LEU 103 far 0 65 0 - 9.9-24.7 Violated in 0 structures by 0.00 A. Peak 7471 from nnoeabs.peaks (2.52, 8.08, 120.56 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 102 + H LEU 103 OK 100 100 100 100 2.5-5.1 7458/3.0=83, 3.0/7469=79...(17) Violated in 16 structures by 0.10 A. Peak 7472 from nnoeabs.peaks (4.02, 8.08, 120.56 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 103 + H LEU 103 OK 100 100 100 100 2.7-2.9 3.0=100 HB3 SER 99 + H LEU 103 OK 21 97 25 85 5.3-6.6 ~7443=23, 11475/11705=23...(14) HA LEU 119 - H LEU 103 far 0 98 0 - 6.8-10.2 HA LEU 96 - H LEU 103 far 0 71 0 - 7.5-9.4 HA LYS 95 - H LEU 103 far 0 100 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 7473 from nnoeabs.peaks (1.58, 8.08, 120.56 ppm; 3.66 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 103 + H LEU 103 OK 100 100 100 100 2.6-3.1 3.9=81, 1.8/7474=55...(32) HG LEU 103 + H LEU 103 OK 80 81 100 100 4.1-4.7 2.1/7476=60, 2.1/7477=52...(24) HG LEU 122 - H LEU 103 far 0 65 0 - 5.6-9.1 Violated in 0 structures by 0.00 A. Peak 7474 from nnoeabs.peaks (1.79, 8.08, 120.56 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 103 + H LEU 103 OK 100 100 100 100 2.1-2.5 3.9=77, 3.2/7476=46...(34) HB2 LEU 100 + H LEU 103 OK 37 60 75 83 4.9-5.5 3.0/7463=35...(13) HG LEU 100 - H LEU 103 poor 18 90 20 - 4.4-6.4 HB3 LYS 26 - H LEU 103 far 0 68 0 - 5.3-26.4 HB3 LEU 122 - H LEU 103 far 0 100 0 - 5.9-8.9 HB3 LEU 98 - H LEU 103 far 0 99 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 7475 from nnoeabs.peaks (1.56, 8.08, 120.56 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 103 + H LEU 103 OK 100 100 100 100 4.1-4.7 2.1/7476=73, 2.1/7477=65...(25) HB2 LEU 103 + H LEU 103 OK 81 81 100 100 2.6-3.1 3.9=100 HB2 LEU 119 - H LEU 103 far 0 97 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. Peak 7476 from nnoeabs.peaks (0.78, 8.08, 120.56 ppm; 4.02 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 103 + H LEU 103 OK 100 100 100 100 3.2-4.4 3397/3.0=78, 3396=76...(30) QD2 LEU 122 - H LEU 103 poor 20 100 20 - 4.9-7.7 QG1 VAL 63 - H LEU 103 far 15 100 15 - 5.0-6.9 QD1 LEU 122 - H LEU 103 far 0 71 0 - 6.0-7.6 QD1 LEU 96 - H LEU 103 far 0 97 0 - 6.1-9.9 QD2 LEU 119 - H LEU 103 far 0 85 0 - 7.8-10.1 QD1 LEU 53 - H LEU 103 far 0 96 0 - 7.9-14.7 QD1 ILE 32 - H LEU 103 far 0 100 0 - 8.9-16.6 QD2 LEU 49 - H LEU 103 far 0 92 0 - 9.4-12.6 Violated in 18 structures by 0.18 A. Peak 7477 from nnoeabs.peaks (0.74, 8.08, 120.56 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 103 + H LEU 103 OK 100 100 100 100 4.0-4.3 3368/3.0=70, 5.0=65...(31) QD2 LEU 96 - H LEU 103 far 0 99 0 - 7.6-10.7 QG1 VAL 93 - H LEU 103 far 0 98 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 7478 from nnoeabs.peaks (7.90, 8.08, 120.56 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 104 + H LEU 103 OK 100 100 100 100 2.3-3.3 7485=100, 7484/3.6=52...(20) H SER 106 + H LEU 103 OK 35 100 40 88 4.4-8.0 11781/3.6=30...(18) HD22 ASN 116 - H LEU 103 far 0 83 0 - 7.5-11.7 Violated in 0 structures by 0.00 A. Peak 7480 from nnoeabs.peaks (7.90, 7.90, 117.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 104 + H GLN 104 OK 100 100 - 100 Peak 7481 from nnoeabs.peaks (3.96, 7.90, 117.67 ppm; 4.22 A): 2 out of 8 assignments used, quality = 0.94: * HA LEU 100 + H GLN 104 OK 93 100 100 93 2.7-4.7 7463/7485=43...(16) HB3 SER 107 + H GLN 104 OK 21 100 35 59 4.7-9.3 11853/11535=16...(12) HB2 SER 106 - H GLN 104 far 10 100 10 - 5.2-8.1 HB3 SER 106 - H GLN 104 far 4 89 5 - 5.6-8.6 HD3 PRO 113 - H GLN 104 far 0 73 0 - 7.5-18.3 HA2 GLY 111 - H GLN 104 far 0 57 0 - 7.6-16.1 HD3 PRO 117 - H GLN 104 far 0 98 0 - 8.4-16.2 HA3 GLY 111 - H GLN 104 far 0 90 0 - 8.5-16.8 Violated in 3 structures by 0.01 A. Peak 7482 from nnoeabs.peaks (4.10, 7.90, 117.67 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: HA GLN 104 + H GLN 104 OK 93 93 100 100 2.7-2.9 3.0=100 * HA GLN 101 + H GLN 104 OK 93 100 100 93 3.5-5.1 3282=50, 3.5/7483=30...(12) HA LEU 98 - H GLN 104 far 0 100 0 - 7.5-8.8 Violated in 0 structures by 0.00 A. Peak 7483 from nnoeabs.peaks (7.85, 7.90, 117.67 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + H GLN 104 OK 100 100 100 100 3.7-4.9 2.9/7484=97, 3.0/7485=97...(15) H GLN 68 - H GLN 104 far 0 95 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 7484 from nnoeabs.peaks (4.05, 7.90, 117.67 ppm; 3.65 A): 1 out of 5 assignments used, quality = 0.88: * HA GLU 102 + H GLN 104 OK 88 100 95 93 3.9-5.3 3.6/7485=49...(13) HA LEU 119 - H GLN 104 far 0 71 0 - 7.6-11.4 HA LEU 96 - H GLN 104 far 0 98 0 - 7.9-11.1 HA LEU 122 - H GLN 104 far 0 100 0 - 8.6-11.1 HB THR 65 - H GLN 104 far 0 92 0 - 10.0-14.2 Violated in 20 structures by 0.74 A. Peak 7485 from nnoeabs.peaks (8.08, 7.90, 117.67 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 103 + H GLN 104 OK 99 100 100 99 2.3-3.3 7478=61, 3.6/7484=46...(20) H ALA 108 - H GLN 104 far 5 100 5 - 4.8-8.5 H ALA 109 - H GLN 104 far 0 100 0 - 5.8-12.0 Violated in 0 structures by 0.00 A. Peak 7486 from nnoeabs.peaks (4.02, 7.90, 117.67 ppm; 4.23 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 103 + H GLN 104 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 99 - H GLN 104 far 0 97 0 - 6.7-8.8 HA LEU 119 - H GLN 104 far 0 98 0 - 7.6-11.4 HA LEU 96 - H GLN 104 far 0 71 0 - 7.9-11.1 HA SER 60 - H GLN 104 far 0 99 0 - 8.1-10.7 Violated in 0 structures by 0.00 A. Peak 7487 from nnoeabs.peaks (1.58, 7.90, 117.67 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 103 + H GLN 104 OK 100 100 100 100 3.7-4.2 1.8/7488=67, 4.6=63...(26) HG LEU 103 + H GLN 104 OK 80 81 100 99 2.2-4.1 2.1/7491=65, 3.0/7488=52...(25) HG LEU 122 - H GLN 104 far 0 65 0 - 6.6-10.2 Violated in 0 structures by 0.00 A. Peak 7488 from nnoeabs.peaks (1.79, 7.90, 117.67 ppm; 3.78 A): 1 out of 6 assignments used, quality = 0.99: * HB3 LEU 103 + H GLN 104 OK 99 100 100 99 2.4-3.0 4.6=55, 3.1/7491=49...(22) HB2 LEU 100 - H GLN 104 poor 18 60 30 - 4.5-6.6 HG LEU 100 - H GLN 104 poor 18 90 30 66 3.4-7.0 3.7/7481=35, ~11488=15...(7) HB3 LYS 26 - H GLN 104 far 3 68 5 - 4.6-25.2 HB3 LEU 122 - H GLN 104 far 0 100 0 - 7.1-9.0 HB3 LEU 98 - H GLN 104 far 0 99 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 7489 from nnoeabs.peaks (1.56, 7.90, 117.67 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 103 + H GLN 104 OK 100 100 100 100 2.2-4.1 2.1/7491=78, 3.0/7488=61...(24) HB2 LEU 103 + H GLN 104 OK 81 81 100 100 3.7-4.2 4.6=84, 1.8/7488=76...(25) HB2 LEU 119 - H GLN 104 far 0 97 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 7490 from nnoeabs.peaks (0.78, 7.90, 117.67 ppm; 3.94 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 103 + H GLN 104 OK 100 100 100 100 1.7-4.8 3397/3.6=65...(33) QG1 VAL 63 + H GLN 104 OK 99 100 100 99 3.3-4.9 9400/7495=51...(29) QD2 LEU 122 - H GLN 104 poor 20 100 20 - 4.4-8.5 QD1 LEU 122 - H GLN 104 far 4 71 5 - 5.1-8.3 QD1 ILE 32 - H GLN 104 far 0 100 0 - 6.9-15.8 QD1 LEU 96 - H GLN 104 far 0 97 0 - 7.3-11.0 QD2 LEU 119 - H GLN 104 far 0 85 0 - 7.3-10.4 QD1 LEU 53 - H GLN 104 far 0 96 0 - 8.4-14.9 QD2 LEU 49 - H GLN 104 far 0 92 0 - 9.3-12.2 Violated in 2 structures by 0.01 A. Peak 7491 from nnoeabs.peaks (0.74, 7.90, 117.67 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 103 + H GLN 104 OK 100 100 100 100 2.9-4.4 3368/3.6=56, 3.1/7488=55...(32) QD2 LEU 96 - H GLN 104 far 0 99 0 - 8.1-12.0 Violated in 7 structures by 0.05 A. Peak 7492 from nnoeabs.peaks (4.09, 7.90, 117.67 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + H GLN 104 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLN 101 + H GLN 104 OK 73 93 95 83 3.5-5.1 3282=32, 3.5/7483=23...(11) HA LEU 98 - H GLN 104 far 0 89 0 - 7.5-8.8 HB THR 65 - H GLN 104 far 0 76 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 7493 from nnoeabs.peaks (2.19, 7.90, 117.67 ppm; 3.14 A): 1 out of 3 assignments used, quality = 0.99: * HB2 GLN 104 + H GLN 104 OK 99 100 100 99 2.1-3.3 3.9=52, 3.0/7496=45...(22) HB2 GLN 101 - H GLN 104 far 0 89 0 - 5.5-7.0 HB3 GLU 97 - H GLN 104 far 0 65 0 - 7.0-9.5 Violated in 2 structures by 0.02 A. Peak 7494 from nnoeabs.peaks (2.22, 7.90, 117.67 ppm; 3.36 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 104 + H GLN 104 OK 100 100 100 100 2.1-3.7 3.9=64, 3.0/7496=51...(24) HB3 GLU 102 - H GLN 104 far 0 99 0 - 5.3-6.5 HB2 GLN 101 - H GLN 104 far 0 90 0 - 5.5-7.0 HB3 GLU 97 - H GLN 104 far 0 99 0 - 7.0-9.5 HB3 LEU 96 - H GLN 104 far 0 93 0 - 8.3-13.0 Violated in 13 structures by 0.12 A. Peak 7495 from nnoeabs.peaks (2.38, 7.90, 117.67 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 104 + H GLN 104 OK 100 100 100 100 1.9-4.6 1.8/7496=82, 3.0/7493=66...(23) HG3 GLN 27 - H GLN 104 far 4 76 5 - 3.8-24.1 HG2 GLN 27 - H GLN 104 far 3 60 5 - 3.4-25.6 HG2 GLU 102 - H GLN 104 far 0 76 0 - 5.4-7.7 Violated in 11 structures by 0.20 A. Peak 7496 from nnoeabs.peaks (2.47, 7.90, 117.67 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 104 + H GLN 104 OK 100 100 100 100 1.9-4.4 3450=64, 1.8/7495=63...(20) Violated in 14 structures by 0.31 A. Peak 7499 from nnoeabs.peaks (7.62, 7.90, 117.67 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.97: * H VAL 105 + H GLN 104 OK 97 100 100 97 2.3-3.2 7533=48, 7523/7493=39...(13) Violated in 0 structures by 0.00 A. Peak 7500 from nnoeabs.peaks (6.96, 6.96, 111.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 104 + HE21 GLN 104 OK 100 100 - 100 Peak 7501 from nnoeabs.peaks (7.90, 6.96, 111.83 ppm; 5.64 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + HE21 GLN 104 OK 100 100 100 100 2.3-6.4 7496/3.5=95, 3.0/7502=92...(18) H SER 106 + HE21 GLN 104 OK 43 100 50 86 4.2-9.4 7509/1.7=35...(9) HD22 ASN 116 - HE21 GLN 104 far 8 83 10 - 6.4-14.2 H THR 115 - HE21 GLN 104 far 5 99 5 - 7.0-18.4 Violated in 10 structures by 0.12 A. Peak 7502 from nnoeabs.peaks (4.09, 6.96, 111.83 ppm; 4.17 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.0-4.9 7510/1.7=84, 3418=76...(19) HA GLN 101 - HE21 GLN 104 far 14 93 15 - 3.9-10.6 HA LEU 98 - HE21 GLN 104 far 0 89 0 - 6.9-14.8 HA ILE 32 - HE21 GLN 104 far 0 83 0 - 7.2-23.1 HB THR 65 - HE21 GLN 104 far 0 76 0 - 8.2-14.2 Violated in 13 structures by 0.18 A. Peak 7503 from nnoeabs.peaks (2.19, 6.96, 111.83 ppm; 4.48 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.3-5.1 4.5=96, 7511/1.7=86...(20) HB2 GLN 101 - HE21 GLN 104 far 4 89 5 - 4.9-12.7 HB3 GLU 97 - HE21 GLN 104 far 0 65 0 - 7.2-14.6 HB2 GLN 68 - HE21 GLN 104 far 0 57 0 - 7.2-14.1 HB3 GLN 68 - HE21 GLN 104 far 0 97 0 - 8.3-15.8 HB3 LEU 69 - HE21 GLN 104 far 0 73 0 - 9.1-17.2 Violated in 14 structures by 0.17 A. Peak 7504 from nnoeabs.peaks (2.22, 6.96, 111.83 ppm; 4.71 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.2-4.8 4.5=100 HB3 GLU 102 - HE21 GLN 104 far 5 99 5 - 4.7-12.1 HB2 GLN 101 - HE21 GLN 104 far 5 90 5 - 4.9-12.7 HB3 GLU 97 - HE21 GLN 104 far 0 99 0 - 7.2-14.6 HG2 GLN 68 - HE21 GLN 104 far 0 98 0 - 7.2-15.4 HB2 GLN 68 - HE21 GLN 104 far 0 100 0 - 7.2-14.1 HB3 LEU 96 - HE21 GLN 104 far 0 93 0 - 9.2-17.3 Violated in 6 structures by 0.01 A. Peak 7505 from nnoeabs.peaks (2.38, 6.96, 111.83 ppm; 3.66 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.5-4.1 3.5=100 HG2 GLN 27 - HE21 GLN 104 far 9 60 15 - 3.2-26.1 HG3 GLN 27 - HE21 GLN 104 far 8 76 10 - 4.7-25.5 HG2 GLU 102 - HE21 GLN 104 far 4 76 5 - 5.1-13.0 Violated in 18 structures by 0.18 A. Peak 7506 from nnoeabs.peaks (2.47, 6.96, 111.83 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HE21 GLN 104 OK 100 100 100 100 3.6-4.1 3.5=100 HG2 MET 11 - HE21 GLN 104 far 0 99 0 - 8.7-48.7 Violated in 20 structures by 0.39 A. Peak 7507 from nnoeabs.peaks (7.43, 6.96, 111.83 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HE21 GLN 104 OK 100 100 100 100 1.7-1.7 1.7=100 H GLN 61 - HE21 GLN 104 far 0 99 0 - 7.5-12.4 H LEU 62 - HE21 GLN 104 far 0 99 0 - 7.8-11.5 Violated in 0 structures by 0.00 A. Peak 7508 from nnoeabs.peaks (7.43, 7.43, 111.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 104 + HE22 GLN 104 OK 100 100 - 100 Peak 7509 from nnoeabs.peaks (7.90, 7.43, 111.83 ppm; 5.11 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.4-5.4 7496/7514=90...(21) H SER 106 + HE22 GLN 104 OK 60 100 75 80 4.7-8.0 7501/1.7=21...(9) HD22 ASN 116 - HE22 GLN 104 far 4 83 5 - 6.3-14.5 H THR 115 - HE22 GLN 104 far 0 99 0 - 8.5-17.6 Violated in 1 structures by 0.01 A. Peak 7510 from nnoeabs.peaks (4.09, 7.43, 111.83 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.9-3.9 7502/1.7=67...(19) HA GLN 101 - HE22 GLN 104 far 9 93 10 - 4.2-9.2 HA LEU 98 - HE22 GLN 104 far 0 89 0 - 7.9-14.0 HA ILE 32 - HE22 GLN 104 far 0 83 0 - 8.9-23.1 HB THR 65 - HE22 GLN 104 far 0 76 0 - 9.0-13.5 Violated in 2 structures by 0.00 A. Peak 7511 from nnoeabs.peaks (2.19, 7.43, 111.83 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.7-4.0 4.5=76, 3.0/7514=76...(22) HB2 GLN 101 - HE22 GLN 104 far 0 89 0 - 5.9-11.4 HB3 GLU 97 - HE22 GLN 104 far 0 65 0 - 8.0-13.2 HB2 GLN 68 - HE22 GLN 104 far 0 57 0 - 8.3-13.8 HB3 GLN 68 - HE22 GLN 104 far 0 97 0 - 9.5-15.1 Violated in 0 structures by 0.00 A. Peak 7512 from nnoeabs.peaks (2.22, 7.43, 111.83 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.7-3.6 4.5=85, 3.0/7514=80...(21) HB3 GLU 102 - HE22 GLN 104 far 5 99 5 - 5.6-11.2 HB2 GLN 101 - HE22 GLN 104 far 0 90 0 - 5.9-11.4 HB3 GLU 97 - HE22 GLN 104 far 0 99 0 - 8.0-13.2 HG2 GLN 68 - HE22 GLN 104 far 0 98 0 - 8.2-15.0 HB2 GLN 68 - HE22 GLN 104 far 0 100 0 - 8.3-13.8 HB3 LEU 96 - HE22 GLN 104 far 0 93 0 - 10.0-16.6 Violated in 0 structures by 0.00 A. Peak 7513 from nnoeabs.peaks (2.38, 7.43, 111.83 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 104 + HE22 GLN 104 OK 100 100 100 100 2.3-3.6 3.5=87, 1.8/7514=73...(14) HG2 GLN 27 - HE22 GLN 104 poor 12 60 20 - 3.0-24.9 HG3 GLN 27 - HE22 GLN 104 far 8 76 10 - 4.1-24.3 HG2 GLU 102 - HE22 GLN 104 far 0 76 0 - 6.4-12.7 Violated in 6 structures by 0.04 A. Peak 7514 from nnoeabs.peaks (2.47, 7.43, 111.83 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HE22 GLN 104 OK 100 100 100 100 2.6-3.6 3.5=82, 1.8/7513=68...(12) HG2 MET 11 - HE22 GLN 104 far 0 99 0 - 9.3-49.9 Violated in 14 structures by 0.15 A. Peak 7515 from nnoeabs.peaks (6.96, 7.43, 111.83 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 104 + HE22 GLN 104 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7516 from nnoeabs.peaks (7.62, 7.62, 114.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + H VAL 105 OK 100 100 - 100 Peak 7517 from nnoeabs.peaks (4.10, 7.62, 114.95 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + H VAL 105 OK 93 100 100 93 3.6-6.5 3282/7499=59...(9) HA GLN 104 + H VAL 105 OK 93 93 100 100 3.3-3.6 3.6=100 HA LEU 98 - H VAL 105 far 0 100 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 7518 from nnoeabs.peaks (4.05, 7.62, 114.95 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.94: * HA GLU 102 + H VAL 105 OK 94 100 95 99 3.3-6.0 11508/7532=68...(8) HA LEU 119 - H VAL 105 far 0 71 0 - 9.9-13.1 Violated in 8 structures by 0.26 A. Peak 7519 from nnoeabs.peaks (8.08, 7.62, 114.95 ppm; 4.91 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 103 + H VAL 105 OK 100 100 100 100 3.3-5.7 7485/7499=83...(11) H ALA 108 + H VAL 105 OK 59 100 75 78 3.8-7.6 11450/7535=35...(8) H ALA 109 - H VAL 105 far 15 100 15 - 5.5-11.6 H THR 25 - H VAL 105 far 0 81 0 - 9.5-31.6 Violated in 0 structures by 0.00 A. Peak 7520 from nnoeabs.peaks (4.02, 7.62, 114.95 ppm; 5.38 A): 1 out of 5 assignments used, quality = 0.99: * HA LEU 103 + H VAL 105 OK 99 100 100 99 3.4-6.5 3.6/7499=92, 3.0/7519=49...(9) HA SER 60 - H VAL 105 far 0 99 0 - 8.2-12.2 HB3 SER 99 - H VAL 105 far 0 97 0 - 9.0-10.5 HA GLN 68 - H VAL 105 far 0 76 0 - 9.2-15.4 HA LEU 119 - H VAL 105 far 0 98 0 - 9.9-13.1 Violated in 6 structures by 0.21 A. Peak 7521 from nnoeabs.peaks (7.90, 7.62, 114.95 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 104 + H VAL 105 OK 100 100 100 100 2.3-3.2 7499=100, 7493/7523=43...(13) H SER 106 + H VAL 105 OK 100 100 100 100 2.2-3.0 7535=100, 7536/3.0=54...(17) HD22 ASN 116 - H VAL 105 far 0 83 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 7522 from nnoeabs.peaks (4.09, 7.62, 114.95 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 104 + H VAL 105 OK 100 100 100 100 3.3-3.6 3.6=100 HA GLN 101 + H VAL 105 OK 43 93 60 78 3.6-6.5 3282/7499=36...(9) HA LEU 98 - H VAL 105 far 0 89 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 7523 from nnoeabs.peaks (2.19, 7.62, 114.95 ppm; 3.99 A): 1 out of 4 assignments used, quality = 0.99: * HB2 GLN 104 + H VAL 105 OK 99 100 100 99 1.8-4.4 4.4=76, 7493/7499=69...(8) HB2 GLN 101 - H VAL 105 far 9 89 10 - 5.4-7.9 HB3 GLU 97 - H VAL 105 far 0 65 0 - 7.6-10.9 HB2 GLN 68 - H VAL 105 far 0 57 0 - 9.4-15.3 Violated in 4 structures by 0.04 A. Peak 7524 from nnoeabs.peaks (2.22, 7.62, 114.95 ppm; 3.81 A): 2 out of 5 assignments used, quality = 0.98: * HB3 GLN 104 + H VAL 105 OK 98 100 100 98 2.2-4.5 4.4=66, 7494/7499=60...(9) HB3 GLU 102 + H VAL 105 OK 27 99 35 76 4.9-8.2 3.0/7518=50...(7) HB2 GLN 101 - H VAL 105 far 0 90 0 - 5.4-7.9 HB3 GLU 97 - H VAL 105 far 0 99 0 - 7.6-10.9 HB2 GLN 68 - H VAL 105 far 0 100 0 - 9.4-15.3 Violated in 9 structures by 0.15 A. Peak 7525 from nnoeabs.peaks (2.38, 7.62, 114.95 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 104 + H VAL 105 OK 100 100 100 100 2.1-5.0 5.0=87, 7495/7499=78...(12) HG2 GLU 102 + H VAL 105 OK 23 76 35 88 5.6-8.7 3.7/7518=64...(4) HG2 GLN 27 - H VAL 105 far 6 60 10 - 5.0-26.5 HG3 GLN 27 - H VAL 105 far 4 76 5 - 4.4-24.9 Violated in 2 structures by 0.01 A. Peak 7526 from nnoeabs.peaks (2.47, 7.62, 114.95 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + H VAL 105 OK 100 100 100 100 1.6-5.4 5.0=100 HG2 MET 11 - H VAL 105 far 0 99 0 - 8.9-53.9 Violated in 3 structures by 0.04 A. Peak 7529 from nnoeabs.peaks (4.19, 7.62, 114.95 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 105 + H VAL 105 OK 100 100 100 100 2.7-2.9 3.0=100 HA HIS 67 - H VAL 105 far 0 65 0 - 6.8-10.7 HA SER 99 - H VAL 105 far 0 65 0 - 7.3-10.2 HB THR 25 - H VAL 105 far 0 97 0 - 8.2-28.6 Violated in 0 structures by 0.00 A. Peak 7530 from nnoeabs.peaks (2.26, 7.62, 114.95 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 105 + H VAL 105 OK 100 100 100 100 3.5-3.8 3466=85, 2.1/3478=76...(11) HB3 PRO 113 - H VAL 105 far 0 98 0 - 7.6-18.7 HG2 GLU 97 - H VAL 105 far 0 99 0 - 8.2-12.0 HG2 GLU 30 - H VAL 105 far 0 78 0 - 8.4-25.3 Violated in 20 structures by 0.26 A. Peak 7531 from nnoeabs.peaks (0.96, 7.62, 114.95 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 105 + H VAL 105 OK 100 100 100 100 1.9-3.6 3472=98, 2.1/3478=77...(13) QD1 LEU 119 - H VAL 105 far 0 87 0 - 7.1-12.9 QG1 VAL 112 - H VAL 105 far 0 99 0 - 7.6-15.5 QD2 LEU 53 - H VAL 105 far 0 99 0 - 9.4-17.2 Violated in 4 structures by 0.03 A. Peak 7532 from nnoeabs.peaks (1.00, 7.62, 114.95 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 105 + H VAL 105 OK 100 100 100 100 1.6-2.4 3478=100, 2.1/7530=54...(17) QG2 VAL 118 - H VAL 105 far 0 99 0 - 5.9-10.6 QD1 LEU 69 - H VAL 105 far 0 100 0 - 9.5-15.3 Violated in 0 structures by 0.00 A. Peak 7533 from nnoeabs.peaks (7.90, 7.62, 114.95 ppm; 3.35 A): 2 out of 3 assignments used, quality = 1.00: * H SER 106 + H VAL 105 OK 100 100 100 100 2.2-3.0 7535=100, 7536/3.0=51...(17) H GLN 104 + H VAL 105 OK 100 100 100 100 2.3-3.2 7499=100, 7493/7523=40...(13) HD22 ASN 116 - H VAL 105 far 0 87 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 7534 from nnoeabs.peaks (7.90, 7.90, 116.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 106 + H SER 106 OK 100 100 - 100 Peak 7535 from nnoeabs.peaks (7.62, 7.90, 116.86 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.97: * H VAL 105 + H SER 106 OK 97 100 100 97 2.2-3.0 3.0/7536=46...(16) Violated in 0 structures by 0.00 A. Peak 7536 from nnoeabs.peaks (4.19, 7.90, 116.86 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 105 + H SER 106 OK 100 100 100 100 3.5-3.6 3.6=90, 3.0/7535=58...(15) HA SER 99 - H SER 106 far 0 65 0 - 6.8-12.3 HA HIS 67 - H SER 106 far 0 65 0 - 7.1-12.4 HB THR 25 - H SER 106 far 0 97 0 - 9.4-30.0 Violated in 20 structures by 0.10 A. Peak 7537 from nnoeabs.peaks (2.26, 7.90, 116.86 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 105 + H SER 106 OK 100 100 100 100 2.5-3.9 2.1/7539=66, 2.1/7538=62...(14) HG2 GLU 30 - H SER 106 far 0 78 0 - 6.4-27.3 HB3 PRO 113 - H SER 106 far 0 98 0 - 7.8-18.2 HG2 GLU 97 - H SER 106 far 0 99 0 - 8.8-14.2 Violated in 5 structures by 0.05 A. Peak 7538 from nnoeabs.peaks (0.96, 7.90, 116.86 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 105 + H SER 106 OK 100 100 100 100 3.8-4.3 2.1/7537=74, 2.1/7539=73...(20) QD1 LEU 119 - H SER 106 far 0 87 0 - 6.6-13.6 QG1 VAL 112 - H SER 106 far 0 99 0 - 8.8-14.7 Violated in 20 structures by 0.21 A. Peak 7539 from nnoeabs.peaks (1.00, 7.90, 116.86 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 105 + H SER 106 OK 100 100 100 100 1.5-2.4 2.1/7537=69, 2.1/7538=64...(20) QG2 VAL 118 - H SER 106 far 0 99 0 - 6.1-10.1 Violated in 0 structures by 0.00 A. Peak 7540 from nnoeabs.peaks (4.46, 7.90, 116.86 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 106 + H SER 106 OK 100 100 100 100 2.8-2.9 2.9=100 HA ASP 64 - H SER 106 far 0 100 0 - 7.0-14.1 HA PRO 58 - H SER 106 far 0 100 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 7541 from nnoeabs.peaks (3.97, 7.90, 116.86 ppm; 3.40 A): 2 out of 11 assignments used, quality = 1.00: * HB2 SER 106 + H SER 106 OK 95 100 100 95 2.1-3.2 4.0=60, 1.8/3494=37...(12) HB3 SER 106 + H SER 106 OK 91 96 100 95 2.2-3.2 4.0=60, 1.8/3489=34...(13) HB3 SER 107 - H SER 106 far 15 99 15 - 4.5-6.5 HA3 GLY 111 - H SER 106 far 0 81 0 - 5.8-14.6 HA3 GLY 17 - H SER 106 far 0 100 0 - 6.4-45.3 HA2 GLY 17 - H SER 106 far 0 100 0 - 6.6-47.0 HA LEU 100 - H SER 106 far 0 100 0 - 6.9-8.9 HD3 PRO 113 - H SER 106 far 0 60 0 - 7.1-16.9 HA GLN 68 - H SER 106 far 0 65 0 - 8.0-17.1 HA VAL 20 - H SER 106 far 0 73 0 - 8.4-41.4 HD3 PRO 117 - H SER 106 far 0 93 0 - 8.7-15.2 Violated in 0 structures by 0.00 A. Peak 7542 from nnoeabs.peaks (3.98, 7.90, 116.86 ppm; 3.40 A): 2 out of 10 assignments used, quality = 1.00: * HB3 SER 106 + H SER 106 OK 95 100 100 95 2.2-3.2 4.0=60, 1.8/3489=34...(13) HB2 SER 106 + H SER 106 OK 91 96 100 95 2.1-3.2 4.0=60, 1.8/3494=37...(12) HB3 SER 107 - H SER 106 far 13 87 15 - 4.5-6.5 HA3 GLY 17 - H SER 106 far 0 89 0 - 6.4-45.3 HA2 GLY 17 - H SER 106 far 0 89 0 - 6.6-47.0 HA LEU 100 - H SER 106 far 0 89 0 - 6.9-8.9 HA GLN 68 - H SER 106 far 0 92 0 - 8.0-17.1 HA VAL 20 - H SER 106 far 0 96 0 - 8.4-41.4 HD3 PRO 117 - H SER 106 far 0 68 0 - 8.7-15.2 HB3 SER 99 - H SER 106 far 0 65 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 7543 from nnoeabs.peaks (8.23, 7.90, 116.86 ppm; 3.59 A): 1 out of 5 assignments used, quality = 0.99: * H SER 107 + H SER 106 OK 99 100 100 99 1.7-2.7 7545=88, 7546/2.9=63...(10) H ALA 29 - H SER 106 far 0 93 0 - 7.1-25.9 H GLU 30 - H SER 106 far 0 63 0 - 7.9-24.6 H ARG 23 - H SER 106 far 0 97 0 - 9.1-38.6 H LYS 31 - H SER 106 far 0 100 0 - 9.6-26.4 Violated in 0 structures by 0.00 A. Peak 7544 from nnoeabs.peaks (8.23, 8.23, 117.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 107 + H SER 107 OK 100 100 - 100 Peak 7545 from nnoeabs.peaks (7.90, 8.23, 117.55 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * H SER 106 + H SER 107 OK 100 100 100 100 1.7-2.7 7543=100, 2.9/7546=64...(10) H GLN 104 - H SER 107 poor 13 100 40 33 4.8-6.8 10070/11476=10...(7) HD22 ASN 116 - H SER 107 far 0 87 0 - 7.9-13.2 H THR 115 - H SER 107 far 0 99 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 7546 from nnoeabs.peaks (4.46, 8.23, 117.55 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.98: * HA SER 106 + H SER 107 OK 98 100 100 98 3.1-3.6 3488=92, 2.9/7543=43...(12) HA ASP 64 - H SER 107 far 0 100 0 - 5.6-14.6 HA PRO 58 - H SER 107 far 0 100 0 - 8.5-17.4 Violated in 19 structures by 0.33 A. Peak 7547 from nnoeabs.peaks (3.97, 8.23, 117.55 ppm; 4.09 A): 3 out of 12 assignments used, quality = 1.00: HB3 SER 107 + H SER 107 OK 99 99 100 100 2.9-4.1 4.1=100 * HB2 SER 106 + H SER 107 OK 99 100 100 99 2.2-4.2 3.0/7546=76, 4.5=76...(14) HB3 SER 106 + H SER 107 OK 95 96 100 99 2.5-3.9 3.0/7546=76, 4.5=76...(15) HA3 GLY 17 - H SER 107 far 0 100 0 - 6.3-45.5 HA3 GLY 111 - H SER 107 far 0 81 0 - 6.3-13.6 HA LEU 100 - H SER 107 far 0 100 0 - 6.4-9.8 HA2 GLY 17 - H SER 107 far 0 100 0 - 6.7-47.2 HD3 PRO 113 - H SER 107 far 0 60 0 - 6.9-16.7 HA GLN 68 - H SER 107 far 0 65 0 - 6.9-17.0 HD3 PRO 117 - H SER 107 far 0 93 0 - 7.6-16.4 HA VAL 20 - H SER 107 far 0 73 0 - 8.0-41.7 HA THR 65 - H SER 107 far 0 100 0 - 9.5-16.8 Violated in 0 structures by 0.00 A. Peak 7548 from nnoeabs.peaks (3.98, 8.23, 117.55 ppm; 4.03 A): 3 out of 11 assignments used, quality = 1.00: * HB3 SER 106 + H SER 107 OK 99 100 100 99 2.5-3.9 3.0/7546=74, 4.5=72...(15) HB2 SER 106 + H SER 107 OK 95 96 100 99 2.2-4.2 3.0/7546=74, 4.5=72...(14) HB3 SER 107 + H SER 107 OK 86 87 100 99 2.9-4.1 4.1=97, 4.7/7554=46...(8) HA3 GLY 17 - H SER 107 far 0 89 0 - 6.3-45.5 HA LEU 100 - H SER 107 far 0 89 0 - 6.4-9.8 HA2 GLY 17 - H SER 107 far 0 89 0 - 6.7-47.2 HA GLN 68 - H SER 107 far 0 92 0 - 6.9-17.0 HB3 SER 99 - H SER 107 far 0 65 0 - 7.4-13.7 HD3 PRO 117 - H SER 107 far 0 68 0 - 7.6-16.4 HA VAL 20 - H SER 107 far 0 96 0 - 8.0-41.7 HA THR 65 - H SER 107 far 0 99 0 - 9.5-16.8 Violated in 0 structures by 0.00 A. Peak 7549 from nnoeabs.peaks (4.39, 8.23, 117.55 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 107 + H SER 107 OK 100 100 100 100 2.3-2.9 3.0=100 HA PRO 113 - H SER 107 far 0 90 0 - 7.2-17.0 HA ASP 71 - H SER 107 far 0 63 0 - 8.6-16.3 Violated in 0 structures by 0.00 A. Peak 7550 from nnoeabs.peaks (3.92, 8.23, 117.55 ppm; 4.10 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 107 + H SER 107 OK 100 100 100 100 2.4-3.5 4.1=100 HA2 GLY 111 - H SER 107 far 5 98 5 - 5.0-12.8 HA3 GLY 111 - H SER 107 far 0 76 0 - 6.3-13.6 HB2 SER 60 - H SER 107 far 0 93 0 - 6.4-15.7 HB3 SER 60 - H SER 107 far 0 93 0 - 6.8-16.2 HD3 PRO 113 - H SER 107 far 0 92 0 - 6.9-16.7 HD3 PRO 117 - H SER 107 far 0 57 0 - 7.6-16.4 HA2 GLY 14 - H SER 107 far 0 100 0 - 9.1-46.3 Violated in 0 structures by 0.00 A. Peak 7551 from nnoeabs.peaks (3.96, 8.23, 117.55 ppm; 3.98 A): 3 out of 11 assignments used, quality = 1.00: * HB3 SER 107 + H SER 107 OK 99 100 100 99 2.9-4.1 4.1=94, 4.7/7554=45...(9) HB2 SER 106 + H SER 107 OK 98 99 100 99 2.2-4.2 3.0/7546=73, 4.5=70...(13) HB3 SER 106 + H SER 107 OK 86 87 100 99 2.5-3.9 3.0/7546=73, 4.5=70...(15) HA2 GLY 111 - H SER 107 far 3 60 5 - 5.0-12.8 HA3 GLY 17 - H SER 107 far 0 100 0 - 6.3-45.5 HA3 GLY 111 - H SER 107 far 0 92 0 - 6.3-13.6 HA LEU 100 - H SER 107 far 0 100 0 - 6.4-9.8 HA2 GLY 17 - H SER 107 far 0 100 0 - 6.7-47.2 HD3 PRO 113 - H SER 107 far 0 76 0 - 6.9-16.7 HD3 PRO 117 - H SER 107 far 0 99 0 - 7.6-16.4 HA THR 65 - H SER 107 far 0 97 0 - 9.5-16.8 Violated in 0 structures by 0.00 A. Peak 7552 from nnoeabs.peaks (8.08, 8.23, 117.55 ppm; 3.43 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 108 + H SER 107 OK 100 100 100 100 1.7-3.7 7554=100, 7555/3.0=58...(15) H ALA 109 - H SER 107 poor 20 100 20 - 4.1-7.1 H LEU 103 - H SER 107 poor 9 100 30 30 3.6-9.3 7478/7543=10...(6) H VAL 20 - H SER 107 far 0 87 0 - 8.3-44.5 H THR 25 - H SER 107 far 0 78 0 - 8.7-33.5 Violated in 3 structures by 0.02 A. Peak 7553 from nnoeabs.peaks (8.08, 8.08, 124.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 108 + H ALA 108 OK 100 100 - 100 Peak 7554 from nnoeabs.peaks (8.23, 8.08, 124.88 ppm; 3.29 A): 1 out of 5 assignments used, quality = 0.98: * H SER 107 + H ALA 108 OK 98 100 100 98 1.7-3.7 7552=80, 3.0/7555=53...(15) H ARG 23 - H ALA 108 far 0 97 0 - 6.0-40.6 H ALA 29 - H ALA 108 far 0 93 0 - 6.3-27.3 H GLU 30 - H ALA 108 far 0 63 0 - 7.2-26.2 H LYS 31 - H ALA 108 far 0 100 0 - 9.4-28.2 Violated in 3 structures by 0.04 A. Peak 7555 from nnoeabs.peaks (4.39, 8.08, 124.88 ppm; 3.21 A): 1 out of 4 assignments used, quality = 0.97: * HA SER 107 + H ALA 108 OK 97 100 100 97 2.9-3.6 3.6=73, 3.0/7554=49...(22) HA PRO 113 - H ALA 108 far 0 90 0 - 7.3-15.5 HA PRO 117 - H ALA 108 far 0 81 0 - 8.7-17.4 HA ASP 71 - H ALA 108 far 0 63 0 - 8.8-18.6 Violated in 9 structures by 0.12 A. Peak 7556 from nnoeabs.peaks (3.92, 8.08, 124.88 ppm; 4.23 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 107 + H ALA 108 OK 100 100 100 100 2.7-4.3 3.0/7555=79, 4.7=75...(15) HA2 GLY 111 - H ALA 108 far 10 98 10 - 4.8-11.2 HB3 SER 60 - H ALA 108 far 9 93 10 - 4.4-17.7 HD3 PRO 117 - H ALA 108 far 9 57 15 - 4.8-16.2 HB2 SER 60 - H ALA 108 far 5 93 5 - 4.2-17.6 HA3 GLY 111 - H ALA 108 far 0 76 0 - 5.9-11.8 HD3 PRO 113 - H ALA 108 far 0 92 0 - 7.7-15.2 Violated in 1 structures by 0.00 A. Peak 7557 from nnoeabs.peaks (3.96, 8.08, 124.88 ppm; 3.85 A): 3 out of 11 assignments used, quality = 1.00: * HB3 SER 107 + H ALA 108 OK 98 100 100 98 2.7-4.6 3.0/7555=69, 4.7=57...(16) HB2 SER 106 + H ALA 108 OK 83 99 90 92 2.1-6.2 4.5/7554=44...(18) HB3 SER 106 + H ALA 108 OK 77 87 95 93 2.1-5.6 4.5/7554=44...(19) HD3 PRO 117 - H ALA 108 far 10 99 10 - 4.8-16.2 HA2 GLY 111 - H ALA 108 far 6 60 10 - 4.8-11.2 HA3 GLY 17 - H ALA 108 far 0 100 0 - 5.5-47.5 HA3 GLY 111 - H ALA 108 far 0 92 0 - 5.9-11.8 HA2 GLY 17 - H ALA 108 far 0 100 0 - 5.9-49.1 HA LEU 100 - H ALA 108 far 0 100 0 - 7.4-10.5 HD3 PRO 113 - H ALA 108 far 0 76 0 - 7.7-15.2 HA THR 65 - H ALA 108 far 0 97 0 - 8.8-18.5 Violated in 0 structures by 0.00 A. Peak 7558 from nnoeabs.peaks (4.28, 8.08, 124.88 ppm; 3.13 A): 1 out of 15 assignments used, quality = 1.00: * HA ALA 108 + H ALA 108 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 109 - H ALA 108 poor 13 100 35 37 4.0-5.6 2.1/3526=7, ~7564=6...(7) HA ALA 21 - H ALA 108 far 5 95 5 - 3.8-43.6 HA ALA 110 - H ALA 108 far 0 99 0 - 5.2-9.1 HA LEU 22 - H ALA 108 far 0 98 0 - 6.0-40.6 HA LYS 26 - H ALA 108 far 0 99 0 - 6.0-32.1 HA ARG 23 - H ALA 108 far 0 98 0 - 7.1-37.9 HA GLN 61 - H ALA 108 far 0 100 0 - 7.6-18.2 HA ALA 15 - H ALA 108 far 0 99 0 - 8.6-51.0 HA THR 18 - H ALA 108 far 0 92 0 - 8.8-48.2 HA THR 25 - H ALA 108 far 0 93 0 - 9.0-33.1 HB THR 115 - H ALA 108 far 0 100 0 - 9.2-16.1 HA LYS 31 - H ALA 108 far 0 100 0 - 9.2-30.0 HA ALA 16 - H ALA 108 far 0 100 0 - 9.4-47.8 HA LYS 19 - H ALA 108 far 0 97 0 - 9.6-46.8 Violated in 0 structures by 0.00 A. Peak 7559 from nnoeabs.peaks (1.38, 8.08, 124.88 ppm; 2.66 A): 1 out of 13 assignments used, quality = 0.86: * QB ALA 108 + H ALA 108 OK 86 100 100 86 2.2-3.0 2.9=76, 10101/7554=15...(10) QB ALA 110 - H ALA 108 far 10 100 10 - 3.4-8.3 QB ALA 109 - H ALA 108 poor 8 100 25 31 3.5-5.7 3518=6, 2.1/7558=5...(10) QB ALA 28 - H ALA 108 far 5 100 5 - 3.6-23.3 QB ALA 29 - H ALA 108 far 0 100 0 - 5.3-20.7 HG3 LYS 26 - H ALA 108 far 0 100 0 - 7.3-30.8 HB3 LEU 100 - H ALA 108 far 0 100 0 - 7.5-12.1 QB ALA 15 - H ALA 108 far 0 100 0 - 7.5-42.0 HG2 LYS 24 - H ALA 108 far 0 100 0 - 7.7-38.5 QB ALA 16 - H ALA 108 far 0 83 0 - 8.0-38.7 HG3 LYS 31 - H ALA 108 far 0 99 0 - 8.5-29.4 QB ALA 12 - H ALA 108 far 0 71 0 - 9.8-43.6 HG LEU 96 - H ALA 108 far 0 95 0 - 9.8-17.4 Violated in 17 structures by 0.18 A. Peak 7560 from nnoeabs.peaks (8.08, 8.08, 124.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H ALA 108 + H ALA 108 OK 100 100 - 100 Reference assignment not found: H ALA 109 - H ALA 108 Peak 7561 from nnoeabs.peaks (8.08, 8.08, 123.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 109 + H ALA 109 OK 100 100 - 100 Peak 7562 from nnoeabs.peaks (8.08, 8.08, 123.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H ALA 109 + H ALA 109 OK 100 100 - 100 Reference assignment not found: H ALA 108 - H ALA 109 Peak 7563 from nnoeabs.peaks (4.28, 8.08, 123.00 ppm; 3.71 A): 3 out of 15 assignments used, quality = 1.00: * HA ALA 108 + H ALA 109 OK 100 100 100 100 2.1-3.6 3.6=100 HA ALA 109 + H ALA 109 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 110 + H ALA 109 OK 53 99 65 83 4.0-5.6 7570/4.7=24, 3517=13...(34) HA LYS 26 - H ALA 109 far 5 99 5 - 5.0-33.1 HA ALA 21 - H ALA 109 far 5 95 5 - 3.9-44.4 HA ARG 23 - H ALA 109 far 0 98 0 - 5.5-38.7 HB THR 115 - H ALA 109 far 0 100 0 - 6.2-15.3 HA LEU 22 - H ALA 109 far 0 98 0 - 6.4-41.3 HA GLN 61 - H ALA 109 far 0 100 0 - 6.6-18.5 HA THR 18 - H ALA 109 far 0 92 0 - 7.9-49.0 HA THR 25 - H ALA 109 far 0 93 0 - 8.3-34.0 HA ALA 15 - H ALA 109 far 0 99 0 - 8.5-51.9 HA LYS 31 - H ALA 109 far 0 100 0 - 8.7-30.9 HA ALA 16 - H ALA 109 far 0 100 0 - 9.0-48.8 HA LYS 19 - H ALA 109 far 0 97 0 - 9.7-47.5 Violated in 0 structures by 0.00 A. Peak 7564 from nnoeabs.peaks (1.38, 8.08, 123.00 ppm; 3.50 A): 3 out of 11 assignments used, quality = 1.00: QB ALA 109 + H ALA 109 OK 100 100 100 100 2.1-3.0 2.9=100 * QB ALA 108 + H ALA 109 OK 95 100 100 95 1.9-3.5 3.7=87, 7559/4.6=35...(21) QB ALA 110 + H ALA 109 OK 35 100 45 77 3.3-5.8 7573/4.7=20, 2.1/7563=13...(28) QB ALA 28 - H ALA 109 far 0 100 0 - 5.9-23.7 QB ALA 15 - H ALA 109 far 0 100 0 - 6.8-42.8 HG3 LYS 26 - H ALA 109 far 0 100 0 - 7.3-31.5 QB ALA 16 - H ALA 109 far 0 83 0 - 7.7-39.2 QB ALA 29 - H ALA 109 far 0 100 0 - 7.7-21.1 HG2 LYS 24 - H ALA 109 far 0 100 0 - 7.7-39.3 HB3 LEU 100 - H ALA 109 far 0 100 0 - 8.2-15.0 HG3 LYS 31 - H ALA 109 far 0 99 0 - 8.6-30.1 Violated in 0 structures by 0.00 A. Peak 7565 from nnoeabs.peaks (4.28, 8.08, 123.00 ppm; 3.71 A): 3 out of 15 assignments used, quality = 1.00: HA ALA 108 + H ALA 109 OK 100 100 100 100 2.1-3.6 3.6=100 * HA ALA 109 + H ALA 109 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 110 + H ALA 109 OK 53 99 65 83 4.0-5.6 7570/4.7=24, 3517=13...(34) HA LYS 26 - H ALA 109 far 5 99 5 - 5.0-33.1 HA ALA 21 - H ALA 109 far 5 95 5 - 3.9-44.4 HA ARG 23 - H ALA 109 far 0 98 0 - 5.5-38.7 HB THR 115 - H ALA 109 far 0 100 0 - 6.2-15.3 HA LEU 22 - H ALA 109 far 0 98 0 - 6.4-41.3 HA GLN 61 - H ALA 109 far 0 100 0 - 6.6-18.5 HA THR 18 - H ALA 109 far 0 92 0 - 7.9-49.0 HA THR 25 - H ALA 109 far 0 93 0 - 8.3-34.0 HA ALA 15 - H ALA 109 far 0 99 0 - 8.5-51.9 HA LYS 31 - H ALA 109 far 0 100 0 - 8.7-30.9 HA ALA 16 - H ALA 109 far 0 100 0 - 9.0-48.8 HA LYS 19 - H ALA 109 far 0 97 0 - 9.7-47.5 Violated in 0 structures by 0.00 A. Peak 7566 from nnoeabs.peaks (1.39, 8.08, 123.00 ppm; 3.50 A): 3 out of 11 assignments used, quality = 1.00: * QB ALA 109 + H ALA 109 OK 100 100 100 100 2.1-3.0 2.9=100 QB ALA 108 + H ALA 109 OK 95 100 100 95 1.9-3.5 3.7=87, 7559/4.6=35...(21) QB ALA 110 + H ALA 109 OK 35 99 45 77 3.3-5.8 7571/4.7=20, 2.1/7563=13...(28) QB ALA 28 - H ALA 109 far 0 100 0 - 5.9-23.7 QB ALA 15 - H ALA 109 far 0 99 0 - 6.8-42.8 HG3 LYS 26 - H ALA 109 far 0 99 0 - 7.3-31.5 QB ALA 16 - H ALA 109 far 0 90 0 - 7.7-39.2 QB ALA 29 - H ALA 109 far 0 99 0 - 7.7-21.1 HG2 LYS 24 - H ALA 109 far 0 98 0 - 7.7-39.3 HB3 LEU 100 - H ALA 109 far 0 98 0 - 8.2-15.0 HG3 LYS 31 - H ALA 109 far 0 100 0 - 8.6-30.1 Violated in 0 structures by 0.00 A. Peak 7567 from nnoeabs.peaks (8.30, 8.08, 123.00 ppm; 4.71 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 110 + H ALA 109 OK 100 100 100 100 1.8-4.5 4.7=100 H GLY 111 + H ALA 109 OK 52 100 75 69 3.7-7.2 7578/2.9=24, 3.6/7565=16...(13) H ALA 21 - H ALA 109 far 0 99 0 - 6.3-45.7 H ALA 28 - H ALA 109 far 0 68 0 - 7.4-28.3 H GLY 17 - H ALA 109 far 0 85 0 - 7.5-49.7 H SER 99 - H ALA 109 far 0 98 0 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 7568 from nnoeabs.peaks (8.30, 8.30, 123.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 110 + H ALA 110 OK 100 100 - 100 Peak 7570 from nnoeabs.peaks (4.28, 8.30, 123.19 ppm; 2.85 A): 2 out of 14 assignments used, quality = 0.99: HA ALA 110 + H ALA 110 OK 95 99 100 96 2.3-2.9 3.0=90, 2.1/7573=32...(12) * HA ALA 109 + H ALA 110 OK 74 100 100 74 2.1-3.6 3.6=51, 2.1/7571=25...(14) HA ALA 108 - H ALA 110 far 5 100 5 - 4.3-7.0 HA ARG 23 - H ALA 110 far 0 98 0 - 4.4-42.1 HB THR 115 - H ALA 110 far 0 100 0 - 4.6-13.3 HA LYS 26 - H ALA 110 far 0 99 0 - 5.2-36.4 HA ALA 16 - H ALA 110 far 0 100 0 - 6.1-52.5 HA ALA 21 - H ALA 110 far 0 95 0 - 6.1-47.9 HA THR 18 - H ALA 110 far 0 92 0 - 6.4-52.4 HA LEU 22 - H ALA 110 far 0 98 0 - 7.8-44.6 HA GLN 61 - H ALA 110 far 0 100 0 - 8.5-21.6 HA LYS 19 - H ALA 110 far 0 97 0 - 8.9-50.7 HA THR 25 - H ALA 110 far 0 93 0 - 9.4-37.6 HA ALA 15 - H ALA 110 far 0 99 0 - 9.6-55.6 Violated in 0 structures by 0.00 A. Peak 7571 from nnoeabs.peaks (1.39, 8.30, 123.19 ppm; 2.88 A): 2 out of 12 assignments used, quality = 0.99: QB ALA 110 + H ALA 110 OK 98 99 100 98 2.0-3.0 2.9=95, 2.1/7572=34...(14) * QB ALA 109 + H ALA 110 OK 76 100 100 76 1.8-3.7 3.7=47, 2.1/7570=27...(16) QB ALA 108 - H ALA 110 lone 6 100 35 16 2.6-6.2 7566/4.7=8, 4.6/3534=4...(5) QB ALA 16 - H ALA 110 far 0 90 0 - 5.2-41.9 HG3 LYS 26 - H ALA 110 far 0 99 0 - 5.7-35.1 QB ALA 15 - H ALA 110 far 0 99 0 - 7.0-45.9 QB ALA 28 - H ALA 110 far 0 100 0 - 7.2-26.1 HG2 LYS 19 - H ALA 110 far 0 73 0 - 8.5-53.4 QB ALA 29 - H ALA 110 far 0 99 0 - 9.4-24.0 HG2 LYS 24 - H ALA 110 far 0 98 0 - 9.5-42.7 HB3 LEU 100 - H ALA 110 far 0 98 0 - 9.6-17.5 QB ALA 12 - H ALA 110 far 0 60 0 - 9.9-47.2 Violated in 0 structures by 0.00 A. Peak 7572 from nnoeabs.peaks (4.28, 8.30, 123.19 ppm; 2.85 A): 2 out of 14 assignments used, quality = 0.99: * HA ALA 110 + H ALA 110 OK 96 100 100 96 2.3-2.9 3.0=90, 2.1/7573=32...(12) HA ALA 109 + H ALA 110 OK 73 99 100 74 2.1-3.6 3.6=51, 2.1/7571=25...(14) HA ALA 108 - H ALA 110 far 5 99 5 - 4.3-7.0 HA ARG 23 - H ALA 110 far 0 100 0 - 4.4-42.1 HB THR 115 - H ALA 110 far 0 97 0 - 4.6-13.3 HA LYS 26 - H ALA 110 far 0 92 0 - 5.2-36.4 HA ALA 16 - H ALA 110 far 0 99 0 - 6.1-52.5 HA ALA 21 - H ALA 110 far 0 99 0 - 6.1-47.9 HA THR 18 - H ALA 110 far 0 99 0 - 6.4-52.4 HA LEU 22 - H ALA 110 far 0 90 0 - 7.8-44.6 HA GLN 61 - H ALA 110 far 0 100 0 - 8.5-21.6 HA LYS 19 - H ALA 110 far 0 89 0 - 8.9-50.7 HA THR 25 - H ALA 110 far 0 99 0 - 9.4-37.6 HA ALA 15 - H ALA 110 far 0 100 0 - 9.6-55.6 Violated in 0 structures by 0.00 A. Peak 7573 from nnoeabs.peaks (1.38, 8.30, 123.19 ppm; 2.88 A): 2 out of 12 assignments used, quality = 1.00: * QB ALA 110 + H ALA 110 OK 98 100 100 98 2.0-3.0 2.9=95, 2.1/7572=34...(14) QB ALA 109 + H ALA 110 OK 76 99 100 76 1.8-3.7 3.7=47, 2.1/7570=27...(16) QB ALA 108 - H ALA 110 lone 6 100 35 16 2.6-6.2 7564/4.7=8, 4.6/3534=4...(5) QB ALA 16 - H ALA 110 far 0 78 0 - 5.2-41.9 HG3 LYS 26 - H ALA 110 far 0 100 0 - 5.7-35.1 QB ALA 15 - H ALA 110 far 0 100 0 - 7.0-45.9 QB ALA 28 - H ALA 110 far 0 100 0 - 7.2-26.1 HG2 LYS 19 - H ALA 110 far 0 87 0 - 8.5-53.4 QB ALA 29 - H ALA 110 far 0 100 0 - 9.4-24.0 HG2 LYS 24 - H ALA 110 far 0 100 0 - 9.5-42.7 HB3 LEU 100 - H ALA 110 far 0 100 0 - 9.6-17.5 QB ALA 12 - H ALA 110 far 0 76 0 - 9.9-47.2 Violated in 0 structures by 0.00 A. Peak 7574 from nnoeabs.peaks (8.30, 8.30, 123.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H ALA 110 + H ALA 110 OK 100 100 - 100 Reference assignment not found: H GLY 111 - H ALA 110 Peak 7575 from nnoeabs.peaks (8.30, 8.30, 108.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLY 111 + H GLY 111 OK 100 100 - 100 H GLY 17 + H GLY 17 OK 45 45 - 100 Peak 7576 from nnoeabs.peaks (8.30, 8.30, 108.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: H GLY 111 + H GLY 111 OK 100 100 - 100 H GLY 17 + H GLY 17 OK 42 42 - 100 Reference assignment not found: H ALA 110 - H GLY 111 Peak 7577 from nnoeabs.peaks (4.28, 8.30, 108.05 ppm; 2.60 A): 2 out of 29 assignments used, quality = 0.80: * HA ALA 110 + H GLY 111 OK 71 100 100 71 2.5-3.6 3.6=39, 2.1/7578=24...(14) HA ALA 16 + H GLY 17 OK 32 54 100 59 2.1-3.0 3.6=39, 3.0/6127=22...(5) HA ALA 109 - H GLY 111 poor 15 99 45 33 3.0-6.7 2.1/7578=12, 7572/4.5=8...(10) HA ALA 15 - H GLY 17 poor 14 57 25 - 3.3-7.0 HA LYS 31 - H GLY 17 far 3 55 5 - 3.8-26.3 HA THR 18 - H GLY 17 far 0 54 0 - 4.1-5.4 HA ALA 16 - H GLY 111 far 0 99 0 - 4.2-50.4 HA ALA 110 - H GLY 17 far 0 57 0 - 4.9-53.9 HA ALA 12 - H GLY 17 far 0 57 0 - 4.9-13.6 HA ALA 21 - H GLY 17 far 0 55 0 - 5.2-12.1 HA LYS 26 - H GLY 111 far 0 92 0 - 5.5-34.2 HA LYS 36 - H GLY 17 far 0 53 0 - 5.7-35.7 HA LYS 19 - H GLY 17 far 0 45 0 - 5.7-8.7 HB THR 115 - H GLY 111 far 0 97 0 - 6.2-11.2 HA ALA 21 - H GLY 111 far 0 99 0 - 6.2-45.7 HA ALA 108 - H GLY 111 far 0 99 0 - 6.4-9.8 HA THR 18 - H GLY 111 far 0 99 0 - 6.5-50.2 HA ALA 15 - H GLY 111 far 0 100 0 - 6.7-53.5 HA GLN 61 - H GLY 111 far 0 100 0 - 8.1-19.8 HA ALA 109 - H GLY 17 far 0 55 0 - 8.1-52.6 HA ARG 23 - H GLY 17 far 0 57 0 - 8.2-14.5 HA ARG 23 - H GLY 111 far 0 100 0 - 8.2-39.9 HA TYR 76 - H GLY 17 far 0 29 0 - 8.3-38.1 HA ALA 108 - H GLY 17 far 0 55 0 - 8.5-50.0 HA LYS 19 - H GLY 111 far 0 89 0 - 8.5-48.4 HA LYS 26 - H GLY 17 far 0 47 0 - 8.9-20.4 HA THR 25 - H GLY 111 far 0 99 0 - 9.5-35.5 HA LEU 22 - H GLY 17 far 0 46 0 - 9.6-13.6 HA THR 25 - H GLY 17 far 0 55 0 - 9.7-20.3 Violated in 10 structures by 0.10 A. Peak 7578 from nnoeabs.peaks (1.38, 8.30, 108.05 ppm; 2.97 A): 3 out of 23 assignments used, quality = 0.95: * QB ALA 110 + H GLY 111 OK 87 100 100 87 1.8-3.3 3.7=51, 2.1/7577=42...(13) QB ALA 109 + H GLY 111 OK 43 99 80 55 2.2-5.6 7573/4.5=11...(10) QB ALA 16 + H GLY 17 OK 29 38 100 76 1.9-3.7 3.7=51, 2.9/6127=30...(6) QB ALA 15 - H GLY 17 poor 13 57 60 37 2.3-6.4 3.7/6127=24, 3537=6...(6) QB ALA 12 - H GLY 17 far 5 36 15 - 2.2-11.5 QB ALA 16 - H GLY 111 far 4 78 5 - 2.3-40.1 HG3 LYS 31 - H GLY 17 far 3 54 5 - 4.2-25.2 HG2 LYS 19 - H GLY 17 far 0 43 0 - 4.7-9.5 QB ALA 15 - H GLY 111 far 0 100 0 - 4.8-44.2 HG2 LYS 36 - H GLY 17 far 0 57 0 - 4.8-33.4 QB ALA 108 - H GLY 111 far 0 100 0 - 5.0-8.8 QB ALA 110 - H GLY 17 far 0 57 0 - 5.3-45.6 HG3 LYS 26 - H GLY 111 far 0 100 0 - 5.4-32.9 QB ALA 28 - H GLY 17 far 0 57 0 - 6.7-21.7 QB ALA 109 - H GLY 17 far 0 55 0 - 6.8-42.7 HG2 LYS 24 - H GLY 17 far 0 56 0 - 7.0-19.0 HG2 LYS 19 - H GLY 111 far 0 87 0 - 7.1-51.1 QB ALA 12 - H GLY 111 far 0 76 0 - 8.2-45.4 QB ALA 28 - H GLY 111 far 0 100 0 - 8.6-26.2 QB ALA 108 - H GLY 17 far 0 57 0 - 9.0-40.9 QB ALA 29 - H GLY 17 far 0 57 0 - 9.5-21.0 HG3 LYS 26 - H GLY 17 far 0 57 0 - 9.7-23.1 QB ALA 29 - H GLY 111 far 0 100 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 7579 from nnoeabs.peaks (3.93, 8.30, 108.05 ppm; 2.91 A): 4 out of 26 assignments used, quality = 1.00: * HA2 GLY 111 + H GLY 111 OK 98 100 100 98 2.3-2.9 3.0=95, 3.6/7581=32...(7) HA3 GLY 111 + H GLY 111 OK 91 93 100 97 2.3-3.0 3.0=95, 3.6/7581=32...(6) HA3 GLY 17 + H GLY 17 OK 25 26 100 97 2.3-3.0 3.0=96, 3.6/6136=17...(4) HA2 GLY 17 + H GLY 17 OK 25 26 100 97 2.3-3.0 3.0=96, 3.6/6136=17...(4) HB2 SER 60 - H GLY 111 far 8 76 10 - 2.6-18.7 HB3 SER 60 - H GLY 111 far 8 76 10 - 2.7-18.3 HA3 GLY 17 - H GLY 111 far 3 57 5 - 3.7-49.6 HA2 GLY 111 - H GLY 17 far 3 57 5 - 3.9-49.2 HB2 SER 51 - H GLY 17 far 3 51 5 - 2.5-36.1 HA3 GLY 14 - H GLY 17 far 3 50 5 - 4.0-8.8 HA3 GLY 111 - H GLY 17 far 2 48 5 - 3.7-50.2 HA2 GLY 14 - H GLY 17 far 0 49 0 - 4.8-9.2 HB2 SER 107 - H GLY 111 far 0 98 0 - 4.9-13.0 HD3 PRO 117 - H GLY 111 far 0 81 0 - 4.9-16.0 HA2 GLY 17 - H GLY 111 far 0 57 0 - 5.5-51.3 HD3 PRO 113 - H GLY 111 far 0 99 0 - 5.7-7.3 HB2 SER 33 - H GLY 17 far 0 41 0 - 6.2-30.8 HB3 SER 107 - H GLY 111 far 0 60 0 - 6.3-14.2 HA ALA 41 - H GLY 17 far 0 38 0 - 6.4-33.7 HD3 PRO 113 - H GLY 17 far 0 55 0 - 7.3-47.7 HA3 GLY 75 - H GLY 17 far 0 29 0 - 7.7-39.2 HA3 GLY 14 - H GLY 111 far 0 96 0 - 9.0-49.5 HA2 GLY 14 - H GLY 111 far 0 95 0 - 9.2-50.3 HA LEU 100 - H GLY 111 far 0 57 0 - 9.2-15.6 HB2 SER 107 - H GLY 17 far 0 53 0 - 9.3-46.2 HB2 SER 60 - H GLY 17 far 0 36 0 - 9.3-38.9 Violated in 0 structures by 0.00 A. Peak 7580 from nnoeabs.peaks (3.94, 8.30, 108.05 ppm; 3.10 A): 4 out of 22 assignments used, quality = 1.00: * HA3 GLY 111 + H GLY 111 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 111 + H GLY 111 OK 93 93 100 100 2.3-2.9 3.0=100 HA2 GLY 17 + H GLY 17 OK 46 46 100 100 2.3-3.0 3.0=100 HA3 GLY 17 + H GLY 17 OK 46 46 100 100 2.3-3.0 3.0=100 HA3 GLY 17 - H GLY 111 far 5 90 5 - 3.7-49.6 HA3 GLY 111 - H GLY 17 far 3 57 5 - 3.7-50.2 HB2 SER 51 - H GLY 17 far 3 56 5 - 2.5-36.1 HA2 GLY 111 - H GLY 17 far 2 48 5 - 3.9-49.2 HA3 GLY 14 - H GLY 17 far 2 32 5 - 4.0-8.8 HA2 GLY 14 - H GLY 17 far 0 30 0 - 4.8-9.2 HB2 SER 107 - H GLY 111 far 0 76 0 - 4.9-13.0 HD3 PRO 117 - H GLY 111 far 0 99 0 - 4.9-16.0 HB2 SER 106 - H GLY 111 far 0 81 0 - 5.2-14.7 HA2 GLY 17 - H GLY 111 far 0 90 0 - 5.5-51.3 HD3 PRO 113 - H GLY 111 far 0 99 0 - 5.7-7.3 HB3 SER 107 - H GLY 111 far 0 92 0 - 6.3-14.2 HB2 SER 106 - H GLY 17 far 0 39 0 - 6.5-49.2 HD3 PRO 113 - H GLY 17 far 0 54 0 - 7.3-47.7 HA3 GLY 14 - H GLY 111 far 0 68 0 - 9.0-49.5 HA2 GLY 14 - H GLY 111 far 0 65 0 - 9.2-50.3 HA LEU 100 - H GLY 111 far 0 90 0 - 9.2-15.6 HB2 SER 107 - H GLY 17 far 0 36 0 - 9.3-46.2 Violated in 0 structures by 0.00 A. Peak 7581 from nnoeabs.peaks (7.93, 8.30, 108.05 ppm; 3.37 A): 1 out of 5 assignments used, quality = 0.90: * H VAL 112 + H GLY 111 OK 90 100 100 90 1.8-3.8 7583=63, 7584/3.0=27...(10) HD22 ASN 116 - H GLY 111 far 4 87 5 - 4.9-12.1 H VAL 112 - H GLY 17 far 3 57 5 - 4.8-49.1 H ASP 64 - H GLY 111 far 0 73 0 - 7.0-17.4 HD22 ASN 116 - H GLY 17 far 0 43 0 - 8.9-43.2 Violated in 10 structures by 0.08 A. Peak 7582 from nnoeabs.peaks (7.93, 7.93, 120.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 112 + H VAL 112 OK 100 100 - 100 Peak 7583 from nnoeabs.peaks (8.30, 7.93, 120.44 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * H GLY 111 + H VAL 112 OK 100 100 100 100 1.8-3.8 7581=100, 3.0/7584=29...(9) H ALA 110 + H VAL 112 OK 35 100 45 78 3.3-7.8 4.5/7581=37...(8) H GLY 17 - H VAL 112 far 4 89 5 - 4.8-49.1 H ALA 21 - H VAL 112 far 0 100 0 - 9.1-44.7 Violated in 3 structures by 0.01 A. Peak 7584 from nnoeabs.peaks (3.93, 7.93, 120.44 ppm; 3.03 A): 3 out of 13 assignments used, quality = 0.99: * HA2 GLY 111 + H VAL 112 OK 91 100 100 91 2.1-3.5 3.6=62, 3.0/7581=43...(9) HA3 GLY 111 + H VAL 112 OK 81 93 100 87 2.1-3.6 3.6=62, 3.0/7581=43...(9) HD3 PRO 113 + H VAL 112 OK 30 99 30 99 3.8-5.0 3568/3.0=48...(24) HB2 SER 60 - H VAL 112 poor 15 76 20 - 2.6-18.7 HB3 SER 60 - H VAL 112 poor 15 76 20 - 3.1-18.5 HB2 SER 107 - H VAL 112 far 5 98 5 - 4.5-16.3 HD3 PRO 117 - H VAL 112 far 0 81 0 - 4.9-13.6 HA3 GLY 17 - H VAL 112 far 0 57 0 - 5.2-47.6 HB3 SER 107 - H VAL 112 far 0 60 0 - 5.9-16.1 HA2 GLY 17 - H VAL 112 far 0 57 0 - 6.7-49.3 HA2 GLY 14 - H VAL 112 far 0 95 0 - 8.6-48.3 HA3 GLY 14 - H VAL 112 far 0 96 0 - 8.8-47.5 HA LEU 100 - H VAL 112 far 0 57 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 7585 from nnoeabs.peaks (3.94, 7.93, 120.44 ppm; 3.41 A): 3 out of 12 assignments used, quality = 1.00: * HA3 GLY 111 + H VAL 112 OK 97 100 100 97 2.1-3.6 3.6=88, 3.0/7581=54...(10) HA2 GLY 111 + H VAL 112 OK 91 93 100 98 2.1-3.5 3.6=88, 3.0/7581=54...(9) HD3 PRO 113 + H VAL 112 OK 89 99 90 100 3.8-5.0 3568/3.0=59...(24) HB2 SER 107 - H VAL 112 far 4 76 5 - 4.5-16.3 HD3 PRO 117 - H VAL 112 far 0 99 0 - 4.9-13.6 HA3 GLY 17 - H VAL 112 far 0 90 0 - 5.2-47.6 HB3 SER 107 - H VAL 112 far 0 92 0 - 5.9-16.1 HA2 GLY 17 - H VAL 112 far 0 90 0 - 6.7-49.3 HB2 SER 106 - H VAL 112 far 0 81 0 - 6.7-15.8 HA2 GLY 14 - H VAL 112 far 0 65 0 - 8.6-48.3 HA3 GLY 14 - H VAL 112 far 0 68 0 - 8.8-47.5 HA LEU 100 - H VAL 112 far 0 90 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 7586 from nnoeabs.peaks (4.42, 7.93, 120.44 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 112 + H VAL 112 OK 100 100 100 100 2.3-2.9 3.0=100 HA THR 115 - H VAL 112 far 0 81 0 - 6.9-10.1 Violated in 0 structures by 0.00 A. Peak 7587 from nnoeabs.peaks (2.12, 7.93, 120.44 ppm; 3.12 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 112 + H VAL 112 OK 100 100 100 100 2.1-3.7 3551=92, 2.1/3556=69...(17) HB2 PRO 56 - H VAL 112 far 0 87 0 - 5.6-17.1 HB VAL 57 - H VAL 112 far 0 63 0 - 6.5-17.1 HB3 GLN 61 - H VAL 112 far 0 89 0 - 6.9-18.6 HB2 GLN 61 - H VAL 112 far 0 83 0 - 8.5-19.9 Violated in 7 structures by 0.06 A. Peak 7588 from nnoeabs.peaks (0.92, 7.93, 120.44 ppm; 2.94 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 112 + H VAL 112 OK 100 100 100 100 2.3-3.4 3556=100, 2.1/7587=56...(17) QG2 VAL 63 - H VAL 112 far 0 95 0 - 4.7-11.7 QD1 LEU 119 - H VAL 112 far 0 87 0 - 5.1-10.1 QG1 VAL 57 - H VAL 112 far 0 71 0 - 6.1-16.0 QD1 LEU 62 - H VAL 112 far 0 97 0 - 6.2-10.4 QG1 VAL 118 - H VAL 112 far 0 73 0 - 6.8-12.1 QG1 VAL 20 - H VAL 112 far 0 90 0 - 8.6-38.4 Violated in 12 structures by 0.10 A. Peak 7589 from nnoeabs.peaks (0.97, 7.93, 120.44 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 112 + H VAL 112 OK 100 100 100 100 3.4-4.1 2.1/3556=89, 3561=87...(15) QD1 LEU 119 - H VAL 112 far 7 68 10 - 5.1-10.1 QG1 VAL 57 - H VAL 112 far 0 85 0 - 6.1-16.0 QG1 VAL 105 - H VAL 112 far 0 99 0 - 8.4-15.7 QD2 LEU 53 - H VAL 112 far 0 100 0 - 9.0-17.5 Violated in 17 structures by 0.17 A. Peak 7590 from nnoeabs.peaks (8.57, 8.57, 108.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + H GLY 114 OK 100 100 - 100 Peak 7591 from nnoeabs.peaks (4.37, 8.57, 108.97 ppm; 2.65 A): 1 out of 4 assignments used, quality = 0.96: * HA PRO 113 + H GLY 114 OK 96 100 100 96 2.4-2.7 3593=75, 2.3/7593=34...(15) HA THR 115 - H GLY 114 far 0 60 0 - 5.0-5.7 HA PRO 117 - H GLY 114 far 0 100 0 - 5.8-9.3 HA SER 107 - H GLY 114 far 0 90 0 - 7.8-18.5 Violated in 8 structures by 0.02 A. Peak 7592 from nnoeabs.peaks (1.91, 8.57, 108.97 ppm; 3.88 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PRO 113 + H GLY 114 OK 100 100 100 100 1.9-2.6 3.9=100 HG2 PRO 113 + H GLY 114 OK 78 78 100 99 3.8-4.4 2.3/7593=73, 3.8/7591=63...(12) HG LEU 53 - H GLY 114 far 0 68 0 - 7.4-16.1 HB3 LEU 123 - H GLY 114 far 0 62 0 - 8.4-15.7 Violated in 0 structures by 0.00 A. Peak 7593 from nnoeabs.peaks (2.27, 8.57, 108.97 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + H GLY 114 OK 100 100 100 100 3.1-3.4 2.3/7591=85, 3.9=79...(17) HG2 GLN 61 - H GLY 114 far 0 99 0 - 8.1-15.3 Violated in 0 structures by 0.00 A. Peak 7594 from nnoeabs.peaks (1.93, 8.57, 108.97 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 113 + H GLY 114 OK 100 100 100 100 3.8-4.4 2.3/7593=77, 3.8/7591=67...(13) HB2 PRO 113 + H GLY 114 OK 78 78 100 100 1.9-2.6 3.9=100 HB2 PRO 58 - H GLY 114 lone 1 89 25 3 4.0-13.5 9327/10161=2 HG LEU 53 - H GLY 114 far 0 100 0 - 7.4-16.1 Violated in 0 structures by 0.00 A. Peak 7595 from nnoeabs.peaks (2.06, 8.57, 108.97 ppm; 4.34 A): 1 out of 9 assignments used, quality = 1.00: * HG3 PRO 113 + H GLY 114 OK 100 100 100 100 4.5-5.1 2.3/7593=85, 3.8/7591=76...(13) HB VAL 118 - H GLY 114 far 5 100 5 - 5.4-10.8 HB2 LEU 62 - H GLY 114 far 5 100 5 - 5.8-11.1 HB VAL 57 - H GLY 114 far 3 60 5 - 5.3-12.4 HG3 PRO 58 - H GLY 114 far 0 97 0 - 6.0-14.2 HB3 GLU 55 - H GLY 114 far 0 85 0 - 6.3-14.8 HG2 PRO 117 - H GLY 114 far 0 99 0 - 6.6-11.8 QE MET 11 - H GLY 114 far 0 83 0 - 6.7-42.6 HG3 PRO 117 - H GLY 114 far 0 97 0 - 7.4-12.0 Violated in 20 structures by 0.40 A. Peak 7596 from nnoeabs.peaks (3.70, 8.57, 108.97 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + H GLY 114 OK 100 100 100 100 5.3-5.6 3.6/7591=88, 3.0/7593=84...(14) Violated in 20 structures by 0.70 A. Peak 7598 from nnoeabs.peaks (3.88, 8.57, 108.97 ppm; 2.95 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 114 + H GLY 114 OK 100 100 100 100 2.3-2.9 2.9=100 HD2 PRO 117 - H GLY 114 far 0 76 0 - 5.1-9.9 HB3 SER 60 - H GLY 114 far 0 68 0 - 6.1-16.1 HB2 SER 60 - H GLY 114 far 0 68 0 - 6.3-15.7 Violated in 0 structures by 0.00 A. Peak 7599 from nnoeabs.peaks (4.12, 8.57, 108.97 ppm; 3.00 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 114 + H GLY 114 OK 100 100 100 100 2.3-2.8 2.9=100 HA ALA 52 - H GLY 114 far 0 99 0 - 9.0-16.2 Violated in 0 structures by 0.00 A. Peak 7600 from nnoeabs.peaks (7.90, 8.57, 108.97 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * H THR 115 + H GLY 114 OK 100 100 100 100 2.6-3.7 7602=100, 7603/2.9=49...(20) HD22 ASN 116 - H GLY 114 far 10 96 10 - 3.1-8.7 H GLN 104 - H GLY 114 far 0 99 0 - 9.5-15.7 Violated in 14 structures by 0.13 A. Peak 7601 from nnoeabs.peaks (7.90, 7.90, 111.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 115 + H THR 115 OK 100 100 - 100 Peak 7602 from nnoeabs.peaks (8.57, 7.90, 111.39 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + H THR 115 OK 100 100 100 100 2.6-3.7 7600=100, 2.9/7603=49...(20) Violated in 14 structures by 0.13 A. Peak 7603 from nnoeabs.peaks (3.88, 7.90, 111.39 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 114 + H THR 115 OK 100 100 100 100 2.6-3.6 3.6=89, 1.8/7604=71...(15) HD2 PRO 117 - H THR 115 far 8 76 10 - 3.1-7.2 HB2 SER 60 - H THR 115 far 0 68 0 - 7.0-18.0 HB3 SER 60 - H THR 115 far 0 68 0 - 7.3-18.2 Violated in 1 structures by 0.01 A. Peak 7604 from nnoeabs.peaks (4.12, 7.90, 111.39 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 114 + H THR 115 OK 100 100 100 100 2.6-3.6 3.6=91, 1.8/7603=73...(12) Violated in 15 structures by 0.07 A. Peak 7605 from nnoeabs.peaks (4.40, 7.90, 111.39 ppm; 3.28 A): 2 out of 6 assignments used, quality = 1.00: * HA THR 115 + H THR 115 OK 100 100 100 100 2.7-2.9 3.0=100 HA PRO 113 + H THR 115 OK 51 60 100 84 3.1-4.4 3.6/7602=43...(16) HA VAL 112 - H THR 115 far 0 81 0 - 5.5-6.5 HA ASN 120 - H THR 115 far 0 73 0 - 7.1-12.8 HA SER 107 - H THR 115 far 0 95 0 - 8.5-17.4 HA THR 54 - H THR 115 far 0 76 0 - 9.6-16.3 Violated in 0 structures by 0.00 A. Peak 7606 from nnoeabs.peaks (4.27, 7.90, 111.39 ppm; 3.56 A): 1 out of 6 assignments used, quality = 1.00: * HB THR 115 + H THR 115 OK 100 100 100 100 2.5-3.7 2.1/7607=78, 3639=76...(12) HA ALA 110 - H THR 115 far 0 97 0 - 6.3-13.7 HA ALA 109 - H THR 115 far 0 100 0 - 6.4-13.9 HA ALA 108 - H THR 115 far 0 100 0 - 8.6-16.7 HA ALA 16 - H THR 115 far 0 100 0 - 9.3-48.0 HA ALA 15 - H THR 115 far 0 97 0 - 9.5-50.7 Violated in 4 structures by 0.02 A. Peak 7607 from nnoeabs.peaks (1.13, 7.90, 111.39 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.99: * QG2 THR 115 + H THR 115 OK 99 100 100 99 1.8-2.9 3644=59, 3637/3.0=52...(16) HB3 LEU 62 - H THR 115 far 0 97 0 - 7.5-12.9 Violated in 0 structures by 0.00 A. Peak 7608 from nnoeabs.peaks (8.45, 7.90, 111.39 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.95: * H ASN 116 + H THR 115 OK 95 100 100 95 1.6-3.0 3638/3.0=42...(14) Violated in 0 structures by 0.00 A. Peak 7609 from nnoeabs.peaks (8.45, 8.45, 123.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + H ASN 116 OK 100 100 - 100 Peak 7610 from nnoeabs.peaks (7.90, 8.45, 123.09 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * H THR 115 + H ASN 116 OK 100 100 100 100 1.6-3.0 7608=100, 3.0/3638=62...(14) HD22 ASN 116 + H ASN 116 OK 89 96 100 93 1.8-4.2 3.5/7615=52, 3.5/7616=52...(10) H GLN 104 - H ASN 116 far 0 99 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 7611 from nnoeabs.peaks (4.40, 8.45, 123.09 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HA THR 115 + H ASN 116 OK 100 100 100 100 2.8-3.5 3638=100, 3.0/7608=61...(17) HA PRO 113 - H ASN 116 poor 16 60 45 60 3.1-6.6 3.6/11513=37...(7) HA VAL 112 - H ASN 116 far 0 81 0 - 5.6-8.1 HA SER 107 - H ASN 116 far 0 95 0 - 8.6-15.5 HA ASN 120 - H ASN 116 far 0 73 0 - 8.7-11.0 HA THR 54 - H ASN 116 far 0 76 0 - 9.7-17.1 Violated in 11 structures by 0.03 A. Peak 7612 from nnoeabs.peaks (4.27, 8.45, 123.09 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 115 + H ASN 116 OK 100 100 100 100 2.5-4.6 3643=81, 3636/3638=69...(11) HA ALA 109 - H ASN 116 far 5 100 5 - 4.2-13.4 HA ALA 110 - H ASN 116 far 5 97 5 - 5.0-13.9 HA ALA 108 - H ASN 116 far 0 100 0 - 7.4-15.4 HA ALA 21 - H ASN 116 far 0 90 0 - 8.6-41.2 Violated in 19 structures by 0.42 A. Peak 7613 from nnoeabs.peaks (1.13, 8.45, 123.09 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 115 + H ASN 116 OK 100 100 100 100 2.0-3.8 4.2=100 HB3 LEU 62 - H ASN 116 far 0 97 0 - 6.7-15.3 Violated in 0 structures by 0.00 A. Peak 7614 from nnoeabs.peaks (4.97, 8.45, 123.09 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + H ASN 116 OK 100 100 100 100 2.5-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 7615 from nnoeabs.peaks (2.85, 8.45, 123.09 ppm; 3.37 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ASN 116 + H ASN 116 OK 98 100 100 98 2.1-3.5 1.8/7616=70, 3655=60...(16) HB3 ASN 59 - H ASN 116 far 11 73 15 - 2.7-14.0 Violated in 1 structures by 0.01 A. Peak 7616 from nnoeabs.peaks (2.93, 8.45, 123.09 ppm; 3.41 A): 1 out of 1 assignment used, quality = 0.98: * HB3 ASN 116 + H ASN 116 OK 98 100 100 98 2.8-3.8 1.8/7615=72, 4.0=62...(14) Violated in 9 structures by 0.10 A. Peak 7618 from nnoeabs.peaks (7.92, 8.45, 123.09 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: H THR 115 + H ASN 116 OK 96 96 100 100 1.6-3.0 7608=93, 3.0/3638=62...(14) * HD22 ASN 116 + H ASN 116 OK 93 100 100 93 1.8-4.2 3.5/7615=52, 3.5/7616=52...(10) H VAL 112 - H ASN 116 far 9 87 10 - 4.5-9.6 H GLN 104 - H ASN 116 far 0 83 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 7619 from nnoeabs.peaks (7.01, 7.01, 113.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 116 + HD21 ASN 116 OK 100 100 - 100 Peak 7620 from nnoeabs.peaks (8.45, 7.01, 113.21 ppm; 6.06 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HD21 ASN 116 OK 100 100 100 100 1.7-5.6 5.5=100 Violated in 0 structures by 0.00 A. Peak 7621 from nnoeabs.peaks (4.97, 7.01, 113.21 ppm; 5.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HD21 ASN 116 OK 100 100 100 100 3.2-5.1 4.6=100 Violated in 0 structures by 0.00 A. Peak 7622 from nnoeabs.peaks (2.85, 7.01, 113.21 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HD21 ASN 116 OK 100 100 100 100 2.3-3.8 3.5=100 HB3 ASN 59 - HD21 ASN 116 poor 10 73 55 25 2.2-14.4 11834/11425=13...(4) Violated in 0 structures by 0.00 A. Peak 7623 from nnoeabs.peaks (2.93, 7.01, 113.21 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 116 + HD21 ASN 116 OK 100 100 100 100 2.4-4.1 3.5=100 Violated in 14 structures by 0.04 A. Peak 7624 from nnoeabs.peaks (7.92, 7.01, 113.21 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HD22 ASN 116 + HD21 ASN 116 OK 100 100 100 100 1.7-1.7 1.7=100 H THR 115 - HD21 ASN 116 far 10 96 10 - 3.3-7.9 H VAL 112 - HD21 ASN 116 far 0 87 0 - 4.8-11.7 H GLN 104 - HD21 ASN 116 far 0 83 0 - 6.4-12.4 H SER 106 - HD21 ASN 116 far 0 87 0 - 7.2-12.5 H SER 124 - HD21 ASN 116 far 0 60 0 - 7.7-13.7 Violated in 0 structures by 0.00 A. Peak 7625 from nnoeabs.peaks (7.92, 7.92, 113.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 116 + HD22 ASN 116 OK 100 100 - 100 Peak 7626 from nnoeabs.peaks (8.45, 7.92, 113.21 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HD22 ASN 116 OK 100 100 100 100 1.8-4.2 7615/3.5=91, 5.5=90...(11) Violated in 0 structures by 0.00 A. Peak 7627 from nnoeabs.peaks (4.97, 7.92, 113.21 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HD22 ASN 116 OK 100 100 100 100 1.8-5.1 4.6=100 Violated in 4 structures by 0.02 A. Peak 7628 from nnoeabs.peaks (2.85, 7.92, 113.21 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HD22 ASN 116 OK 100 100 100 100 2.1-4.1 3.5=100 HB3 ASN 59 - HD22 ASN 116 poor 8 73 45 23 2.2-15.8 3.5/11732=7, 7622/1.7=6...(5) Violated in 3 structures by 0.06 A. Peak 7629 from nnoeabs.peaks (2.93, 7.92, 113.21 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 116 + HD22 ASN 116 OK 100 100 100 100 3.3-4.1 3.5=100 Violated in 2 structures by 0.03 A. Peak 7630 from nnoeabs.peaks (7.01, 7.92, 113.21 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 116 + HD22 ASN 116 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7631 from nnoeabs.peaks (7.75, 7.75, 118.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 118 + H VAL 118 OK 100 100 - 100 Peak 7632 from nnoeabs.peaks (4.37, 7.75, 118.27 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 117 + H VAL 118 OK 100 100 100 100 3.1-3.6 3.6=100 HA PRO 113 - H VAL 118 far 0 100 0 - 6.1-11.8 HA SER 107 - H VAL 118 far 0 81 0 - 6.6-15.0 Violated in 0 structures by 0.00 A. Peak 7633 from nnoeabs.peaks (2.36, 7.75, 118.27 ppm; 4.63 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 117 + H VAL 118 OK 100 100 100 100 3.0-4.6 4.3=100 HG2 GLU 102 - H VAL 118 far 0 100 0 - 7.1-12.1 HG2 GLN 104 - H VAL 118 far 0 83 0 - 9.1-17.0 HG2 GLN 27 - H VAL 118 far 0 98 0 - 9.8-27.8 Violated in 1 structures by 0.00 A. Peak 7634 from nnoeabs.peaks (2.01, 7.75, 118.27 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 117 + H VAL 118 OK 100 100 100 100 3.0-4.2 4.3=100 HB3 LEU 53 - H VAL 118 far 0 92 0 - 8.8-15.8 HB VAL 63 - H VAL 118 far 0 95 0 - 9.5-17.1 Violated in 0 structures by 0.00 A. Peak 7635 from nnoeabs.peaks (2.05, 7.75, 118.27 ppm; 3.96 A): 3 out of 6 assignments used, quality = 1.00: HB VAL 118 + H VAL 118 OK 100 100 100 100 2.3-2.8 4.0=100 * HG2 PRO 117 + H VAL 118 OK 95 100 100 95 2.0-4.4 2.3/7637=49, 2.3/7638=36...(16) HG3 PRO 117 + H VAL 118 OK 94 100 100 94 2.3-5.0 2.3/7637=49, 2.3/7638=36...(15) HB2 GLU 102 - H VAL 118 far 0 63 0 - 6.7-11.1 HB2 LEU 62 - H VAL 118 far 0 100 0 - 7.9-15.6 HG3 PRO 113 - H VAL 118 far 0 99 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 7636 from nnoeabs.peaks (2.05, 7.75, 118.27 ppm; 3.96 A): 3 out of 6 assignments used, quality = 1.00: HB VAL 118 + H VAL 118 OK 99 99 100 100 2.3-2.8 4.0=100 HG2 PRO 117 + H VAL 118 OK 95 100 100 95 2.0-4.4 2.3/7637=49, 2.3/7638=36...(16) * HG3 PRO 117 + H VAL 118 OK 94 100 100 94 2.3-5.0 2.3/7637=49, 2.3/7638=36...(15) HB2 LEU 62 - H VAL 118 far 0 99 0 - 7.9-15.6 HB VAL 63 - H VAL 118 far 0 60 0 - 9.5-17.1 HG3 PRO 113 - H VAL 118 far 0 97 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 7637 from nnoeabs.peaks (3.86, 7.75, 118.27 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.99: * HD2 PRO 117 + H VAL 118 OK 99 100 100 99 2.7-4.3 3678=61, 3667/10251=58...(14) HA2 GLY 114 - H VAL 118 far 0 76 0 - 6.9-10.1 HA LEU 123 - H VAL 118 far 0 96 0 - 8.6-10.9 HA LEU 62 - H VAL 118 far 0 93 0 - 9.2-17.0 Violated in 0 structures by 0.00 A. Peak 7638 from nnoeabs.peaks (3.95, 7.75, 118.27 ppm; 4.73 A): 2 out of 9 assignments used, quality = 0.99: * HD3 PRO 117 + H VAL 118 OK 99 100 100 99 2.6-3.9 1.8/7637=77...(14) HA LEU 100 + H VAL 118 OK 22 98 45 51 5.7-10.6 10270/7642=26...(8) HB3 SER 107 - H VAL 118 poor 20 99 25 80 4.7-16.7 11853/3.9=59...(5) HB2 SER 107 - H VAL 118 far 9 57 15 - 5.4-17.3 HA3 GLY 111 - H VAL 118 far 5 99 5 - 5.2-16.6 HA2 GLY 111 - H VAL 118 far 0 81 0 - 6.7-16.3 HD3 PRO 113 - H VAL 118 far 0 92 0 - 8.4-13.7 HB3 SER 106 - H VAL 118 far 0 68 0 - 8.8-16.6 HB2 SER 106 - H VAL 118 far 0 93 0 - 9.5-16.3 Violated in 0 structures by 0.00 A. Peak 7639 from nnoeabs.peaks (3.81, 7.75, 118.27 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + H VAL 118 OK 100 100 100 100 2.7-2.9 2.8=100 Violated in 0 structures by 0.00 A. Peak 7640 from nnoeabs.peaks (2.06, 7.75, 118.27 ppm; 3.95 A): 3 out of 6 assignments used, quality = 1.00: * HB VAL 118 + H VAL 118 OK 99 100 100 99 2.3-2.8 4.0=99 HG2 PRO 117 + H VAL 118 OK 95 100 100 95 2.0-4.4 2.3/7637=49, 2.3/7638=36...(16) HG3 PRO 117 + H VAL 118 OK 93 99 100 94 2.3-5.0 2.3/7637=49, 2.3/7638=36...(15) HB2 GLU 102 - H VAL 118 far 0 71 0 - 6.7-11.1 HB2 LEU 62 - H VAL 118 far 0 100 0 - 7.9-15.6 HG3 PRO 113 - H VAL 118 far 0 100 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 7641 from nnoeabs.peaks (0.90, 7.75, 118.27 ppm; 3.85 A): 1 out of 8 assignments used, quality = 1.00: * QG1 VAL 118 + H VAL 118 OK 100 100 100 100 3.7-3.8 3.9=96, 2.1/7642=83...(20) QD1 LEU 62 - H VAL 118 poor 13 93 35 41 4.6-11.7 7649/7643=15...(7) QG2 VAL 63 - H VAL 118 far 0 97 0 - 6.1-12.2 QD2 LEU 98 - H VAL 118 far 0 76 0 - 6.6-11.0 QD2 LEU 123 - H VAL 118 far 0 92 0 - 7.1-10.0 QD1 LEU 123 - H VAL 118 far 0 63 0 - 7.5-10.7 QG2 VAL 112 - H VAL 118 far 0 73 0 - 8.1-12.3 QD1 LEU 49 - H VAL 118 far 0 95 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 7642 from nnoeabs.peaks (1.01, 7.75, 118.27 ppm; 3.28 A): 1 out of 2 assignments used, quality = 0.99: * QG2 VAL 118 + H VAL 118 OK 99 100 100 99 1.7-2.8 3748=60, 3749/2.8=59...(18) QG2 VAL 105 - H VAL 118 far 0 99 0 - 7.4-11.4 Violated in 0 structures by 0.00 A. Peak 7643 from nnoeabs.peaks (7.54, 7.75, 118.27 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 119 + H VAL 118 OK 99 100 100 99 2.6-3.0 7646=83, 3753/7642=45...(19) H THR 54 - H VAL 118 far 0 99 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 7644 from nnoeabs.peaks (8.08, 7.75, 118.27 ppm; 4.63 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + H VAL 118 OK 100 100 100 100 4.1-4.8 7662/7643=73...(20) H ALA 109 - H VAL 118 far 15 99 15 - 5.8-14.8 H LEU 103 - H VAL 118 far 0 100 0 - 6.2-10.4 H ALA 108 - H VAL 118 far 0 100 0 - 6.3-14.4 Violated in 3 structures by 0.02 A. Peak 7645 from nnoeabs.peaks (7.54, 7.54, 119.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 119 + H LEU 119 OK 100 100 - 100 Peak 7646 from nnoeabs.peaks (7.75, 7.54, 119.74 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 118 + H LEU 119 OK 100 100 100 100 2.6-3.0 7643=100, 7642/3753=45...(19) HD22 ASN 121 - H LEU 119 poor 19 71 40 68 4.5-7.3 3748/3753=19...(11) H GLU 55 - H LEU 119 far 0 100 0 - 7.0-15.2 H LEU 98 - H LEU 119 far 0 85 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 7647 from nnoeabs.peaks (3.81, 7.54, 119.74 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + H LEU 119 OK 100 100 100 100 3.5-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 7648 from nnoeabs.peaks (2.06, 7.54, 119.74 ppm; 3.84 A): 2 out of 8 assignments used, quality = 1.00: * HB VAL 118 + H LEU 119 OK 99 100 100 99 2.4-2.9 3741=82, 2.1/3753=65...(19) HG2 PRO 117 + H LEU 119 OK 24 100 30 81 4.8-6.9 3.8/10286=31...(11) HG3 PRO 117 - H LEU 119 far 15 99 15 - 5.1-7.4 HB2 LEU 62 - H LEU 119 far 0 100 0 - 5.6-13.1 HG3 PRO 113 - H LEU 119 far 0 100 0 - 8.6-12.6 HB2 GLU 102 - H LEU 119 far 0 71 0 - 9.0-12.4 HG3 PRO 58 - H LEU 119 far 0 92 0 - 9.6-18.1 HB3 GLU 55 - H LEU 119 far 0 92 0 - 9.7-17.9 Violated in 0 structures by 0.00 A. Peak 7649 from nnoeabs.peaks (0.90, 7.54, 119.74 ppm; 4.28 A): 3 out of 9 assignments used, quality = 1.00: * QG1 VAL 118 + H LEU 119 OK 100 100 100 100 2.8-3.8 4.1=100 QD1 LEU 62 + H LEU 119 OK 68 93 95 77 2.9-9.6 10954/2.8=35...(14) QD2 LEU 123 + H LEU 119 OK 20 92 25 88 5.3-8.1 11636/2.8=26, ~3764=19...(22) QG2 VAL 63 - H LEU 119 lone 7 97 40 19 4.8-10.2 2036/11426=13...(4) QD1 LEU 123 - H LEU 119 far 6 63 10 - 5.2-9.1 QD2 LEU 98 - H LEU 119 far 0 76 0 - 6.3-12.0 QD1 LEU 49 - H LEU 119 far 0 95 0 - 7.6-11.4 QG2 VAL 112 - H LEU 119 far 0 73 0 - 8.5-11.6 QD2 LEU 48 - H LEU 119 far 0 98 0 - 9.9-16.0 Violated in 0 structures by 0.00 A. Peak 7650 from nnoeabs.peaks (1.01, 7.54, 119.74 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + H LEU 119 OK 100 100 100 100 3.6-4.1 3753=100, 2.1/3741=72...(17) QG2 VAL 105 - H LEU 119 far 0 99 0 - 8.3-11.5 QD1 LEU 69 - H LEU 119 far 0 100 0 - 9.5-13.6 Violated in 2 structures by 0.00 A. Peak 7651 from nnoeabs.peaks (4.03, 7.54, 119.74 ppm; 4.06 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 119 + H LEU 119 OK 100 100 100 100 2.6-2.7 2.8=100 HB3 SER 99 - H LEU 119 far 8 83 10 - 5.0-7.6 HA LEU 103 - H LEU 119 far 0 98 0 - 6.9-9.1 HA LEU 122 - H LEU 119 far 0 73 0 - 7.2-8.0 HB3 SER 124 - H LEU 119 far 0 100 0 - 7.9-9.1 HA LEU 96 - H LEU 119 far 0 90 0 - 8.0-10.3 HA LYS 95 - H LEU 119 far 0 99 0 - 8.2-13.2 HA SER 50 - H LEU 119 far 0 60 0 - 8.6-15.0 HA SER 60 - H LEU 119 far 0 90 0 - 9.8-17.0 Violated in 0 structures by 0.00 A. Peak 7652 from nnoeabs.peaks (1.54, 7.54, 119.74 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 119 + H LEU 119 OK 100 100 100 100 2.2-3.6 3.9=100 HB2 LEU 53 - H LEU 119 poor 17 73 30 79 4.5-12.2 ~11845=14, 3.1/1685=11...(24) HG LEU 103 - H LEU 119 far 10 97 10 - 4.7-9.9 HG LEU 123 - H LEU 119 far 4 78 5 - 5.0-9.2 Violated in 0 structures by 0.00 A. Peak 7653 from nnoeabs.peaks (1.87, 7.54, 119.74 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + H LEU 119 OK 100 100 100 100 2.3-3.5 3.9=97, 2.9/3781=57...(22) HB3 LEU 123 - H LEU 119 far 0 99 0 - 5.4-8.5 Violated in 0 structures by 0.00 A. Peak 7654 from nnoeabs.peaks (1.62, 7.54, 119.74 ppm; 3.59 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + H LEU 119 OK 100 100 100 100 1.5-3.7 3781=73, 2.1/3797=55...(22) HB2 LEU 122 + H LEU 119 OK 44 95 50 92 4.7-7.0 ~3764=30, 390/4.1=18...(35) HG LEU 62 + H LEU 119 OK 22 68 45 72 3.7-10.9 2.1/7649=18, ~10954=17...(13) HB2 LEU 123 - H LEU 119 poor 19 63 30 - 4.6-8.1 HG LEU 122 - H LEU 119 far 4 89 5 - 4.6-7.1 Violated in 1 structures by 0.00 A. Peak 7655 from nnoeabs.peaks (0.80, 7.54, 119.74 ppm; 3.75 A): 5 out of 9 assignments used, quality = 1.00: * QD2 LEU 119 + H LEU 119 OK 100 100 100 100 1.7-4.1 3790/2.8=70, 2.1/3781=63...(22) QD1 LEU 122 + H LEU 119 OK 56 99 60 94 3.3-6.9 11702/2.8=28...(33) QD1 LEU 103 + H LEU 119 OK 33 85 50 78 3.9-7.3 10069/3741=35...(10) QD2 LEU 122 + H LEU 119 OK 30 93 35 91 3.2-7.4 11612/4.1=16, ~11702=16...(30) QD1 LEU 53 + H LEU 119 OK 23 99 30 77 3.4-9.9 ~11845=18, ~11725=11...(21) QG1 VAL 63 - H LEU 119 far 0 87 0 - 6.8-12.0 QD1 LEU 70 - H LEU 119 far 0 87 0 - 8.2-12.1 QD2 LEU 49 - H LEU 119 far 0 100 0 - 8.4-11.6 QD1 LEU 96 - H LEU 119 far 0 60 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 7656 from nnoeabs.peaks (0.94, 7.54, 119.74 ppm; 4.11 A): 3 out of 11 assignments used, quality = 1.00: * QD1 LEU 119 + H LEU 119 OK 100 100 100 100 1.7-3.9 3797=100, 2.1/3781=74...(17) QD1 LEU 62 + H LEU 119 OK 42 63 95 71 2.9-9.6 10954/2.8=18...(12) QD2 LEU 53 + H LEU 119 OK 20 71 35 82 3.2-10.3 11845/2.8=23...(23) QD1 LEU 123 - H LEU 119 far 5 93 5 - 5.2-9.1 QG1 VAL 112 - H LEU 119 far 0 68 0 - 6.5-9.9 QG1 VAL 126 - H LEU 119 far 0 92 0 - 7.3-10.0 QG2 VAL 126 - H LEU 119 far 0 78 0 - 7.4-10.8 QD1 LEU 49 - H LEU 119 far 0 60 0 - 7.6-11.4 QG1 VAL 57 - H LEU 119 far 0 99 0 - 8.4-15.1 QG2 VAL 112 - H LEU 119 far 0 87 0 - 8.5-11.6 QG1 VAL 105 - H LEU 119 far 0 87 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 7657 from nnoeabs.peaks (8.08, 7.54, 119.74 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + H LEU 119 OK 100 100 100 100 2.9-3.1 7662=100, 7644/7643=36...(19) H ALA 109 - H LEU 119 far 0 99 0 - 6.4-14.6 H LEU 103 - H LEU 119 far 0 100 0 - 7.6-9.4 H ALA 108 - H LEU 119 far 0 100 0 - 7.7-14.8 Violated in 0 structures by 0.00 A. Peak 7658 from nnoeabs.peaks (8.12, 7.54, 119.74 ppm; 6.58 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + H LEU 119 OK 100 100 100 100 3.7-4.2 7690=100, 7689/3.5=97...(21) Violated in 0 structures by 0.00 A. Peak 7659 from nnoeabs.peaks (8.08, 8.08, 117.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 120 + H ASN 120 OK 100 100 - 100 Peak 7660 from nnoeabs.peaks (7.75, 8.08, 117.66 ppm; 4.97 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 118 + H ASN 120 OK 100 100 100 100 4.1-4.8 7644=100, 7643/7662=81...(20) HD22 ASN 121 + H ASN 120 OK 53 71 80 93 3.9-6.7 3.5/10299=67...(14) H GLU 55 - H ASN 120 far 0 100 0 - 7.7-13.0 Violated in 0 structures by 0.00 A. Peak 7661 from nnoeabs.peaks (3.81, 8.08, 117.66 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 118 + H ASN 120 OK 100 100 100 100 3.5-4.8 3.5/7662=91, 2.8/7644=86...(19) HB2 SER 50 - H ASN 120 far 0 78 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 7662 from nnoeabs.peaks (7.54, 8.08, 117.66 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 119 + H ASN 120 OK 100 100 100 100 2.9-3.1 7657=91, 7643/7644=33...(18) H THR 54 - H ASN 120 far 0 99 0 - 7.5-13.6 HE22 GLN 61 - H ASN 120 far 0 89 0 - 8.7-16.7 Violated in 0 structures by 0.00 A. Peak 7663 from nnoeabs.peaks (4.03, 8.08, 117.66 ppm; 4.46 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 119 + H ASN 120 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 124 + H ASN 120 OK 25 100 40 62 5.3-6.9 10355/3.8=18...(10) HB3 SER 99 - H ASN 120 far 0 83 0 - 6.1-8.2 HA LEU 122 - H ASN 120 far 0 73 0 - 6.8-7.6 HA LEU 96 - H ASN 120 far 0 90 0 - 8.2-10.2 HA SER 50 - H ASN 120 far 0 60 0 - 8.3-13.2 HA LEU 103 - H ASN 120 far 0 98 0 - 9.2-11.7 HA LYS 95 - H ASN 120 far 0 99 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 7664 from nnoeabs.peaks (1.54, 8.08, 117.66 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 119 + H ASN 120 OK 100 100 100 100 3.0-4.3 4.6=73, 3.9/7662=57...(20) HG LEU 123 + H ASN 120 OK 35 78 45 100 4.7-7.0 ~11632=41, ~11565=40...(27) HB2 LEU 53 - H ASN 120 poor 13 73 35 50 4.6-10.4 3.1/7667=10, 3775/4.6=9...(9) HG LEU 103 - H ASN 120 far 0 97 0 - 7.6-11.2 Violated in 0 structures by 0.00 A. Peak 7665 from nnoeabs.peaks (1.87, 8.08, 117.66 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + H ASN 120 OK 99 100 100 99 2.1-3.2 4.6=60, 7653/7662=51...(19) HB3 LEU 123 + H ASN 120 OK 84 99 85 100 4.0-6.2 3927/2.9=47, ~3813=37...(25) Violated in 0 structures by 0.00 A. Peak 7666 from nnoeabs.peaks (1.62, 8.08, 117.66 ppm; 4.46 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + H ASN 120 OK 100 100 100 100 3.9-5.0 2.1/3804=66...(21) HB2 LEU 122 + H ASN 120 OK 55 95 65 90 5.3-7.5 3.5/7675=52, ~7721=19...(15) HB2 LEU 123 + H ASN 120 OK 53 63 85 100 3.9-6.6 ~3927=46, 3813/2.9=45...(27) HG LEU 122 - H ASN 120 far 13 89 15 - 5.0-7.8 HG LEU 62 - H ASN 120 poor 13 68 30 64 4.6-10.5 3793/3796=17...(12) Violated in 0 structures by 0.00 A. Peak 7667 from nnoeabs.peaks (0.80, 8.08, 117.66 ppm; 4.25 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 119 + H ASN 120 OK 100 100 100 100 1.9-5.0 3790/3.6=71, 2.1/3804=61...(24) QD1 LEU 122 + H ASN 120 OK 60 99 65 93 3.7-7.4 4.3/7675=40...(24) QD1 LEU 53 + H ASN 120 OK 39 99 60 65 4.5-8.9 11629/2.9=14...(17) QD2 LEU 122 - H ASN 120 poor 19 93 25 81 3.7-7.3 5.1/7675=34...(18) QD1 LEU 103 - H ASN 120 far 0 85 0 - 6.1-8.7 QD2 LEU 49 - H ASN 120 far 0 100 0 - 8.0-11.0 QD1 LEU 70 - H ASN 120 far 0 87 0 - 8.5-13.1 QG1 VAL 63 - H ASN 120 far 0 87 0 - 8.9-12.8 QD1 LEU 96 - H ASN 120 far 0 60 0 - 9.3-11.7 Violated in 6 structures by 0.06 A. Peak 7668 from nnoeabs.peaks (0.94, 8.08, 117.66 ppm; 4.17 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 119 + H ASN 120 OK 100 100 100 100 2.6-4.7 3804=66, 3798/3.6=61...(18) QD1 LEU 123 + H ASN 120 OK 33 93 35 100 4.5-7.2 11631/2.9=48, ~11632=41...(27) QD1 LEU 62 + H ASN 120 OK 21 63 55 62 4.1-9.7 10954/3.6=16...(13) QD2 LEU 53 - H ASN 120 poor 16 71 40 57 3.7-9.3 11845/3.6=20...(9) QG1 VAL 126 - H ASN 120 far 0 92 0 - 7.1-9.8 QG2 VAL 126 - H ASN 120 far 0 78 0 - 7.1-10.4 QD1 LEU 49 - H ASN 120 far 0 60 0 - 7.2-10.3 QG1 VAL 57 - H ASN 120 far 0 99 0 - 8.5-13.9 QG1 VAL 112 - H ASN 120 far 0 68 0 - 8.8-11.6 Violated in 3 structures by 0.03 A. Peak 7669 from nnoeabs.peaks (4.42, 8.08, 117.66 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 120 + H ASN 120 OK 100 100 100 100 2.8-2.9 2.9=100 HA THR 54 - H ASN 120 far 0 100 0 - 6.0-12.0 HA THR 115 - H ASN 120 far 0 73 0 - 6.7-10.2 HA PRO 58 - H ASN 120 far 0 57 0 - 9.2-15.5 Violated in 0 structures by 0.00 A. Peak 7670 from nnoeabs.peaks (2.80, 8.08, 117.66 ppm; 3.43 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 120 + H ASN 120 OK 96 100 100 96 2.3-3.6 3.8=73, 3.5/7677=33...(19) HB3 ASN 120 + H ASN 120 OK 96 100 100 96 2.1-3.7 3.8=73, 3.5/7677=33...(18) HB2 ASN 121 + H ASN 120 OK 34 100 40 85 4.3-6.1 1.8/10299=40...(16) Violated in 0 structures by 0.00 A. Peak 7671 from nnoeabs.peaks (2.80, 8.08, 117.66 ppm; 3.43 A): 3 out of 3 assignments used, quality = 1.00: HB2 ASN 120 + H ASN 120 OK 96 100 100 96 2.3-3.6 3.8=73, 3.5/7677=33...(19) * HB3 ASN 120 + H ASN 120 OK 96 100 100 96 2.1-3.7 3.8=73, 3.5/7677=33...(18) HB2 ASN 121 + H ASN 120 OK 34 100 40 85 4.3-6.1 1.8/10299=40...(16) Violated in 0 structures by 0.00 A. Peak 7672 from nnoeabs.peaks (7.60, 8.08, 117.66 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 120 + H ASN 120 OK 100 100 100 100 1.9-3.4 5.3=100 Violated in 0 structures by 0.00 A. Peak 7673 from nnoeabs.peaks (6.77, 8.08, 117.66 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 120 + H ASN 120 OK 100 100 100 100 3.0-5.0 5.3=100 Violated in 0 structures by 0.00 A. Peak 7674 from nnoeabs.peaks (8.12, 8.08, 117.66 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + H ASN 120 OK 100 100 100 100 2.1-2.6 4.1=100 Violated in 0 structures by 0.00 A. Peak 7675 from nnoeabs.peaks (8.18, 8.08, 117.66 ppm; 4.80 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 122 + H ASN 120 OK 99 100 100 99 4.3-5.1 4.3/10299=53, 7720=48...(21) H VAL 63 - H ASN 120 far 0 87 0 - 8.5-14.3 H GLN 127 - H ASN 120 far 0 93 0 - 9.2-10.9 Violated in 1 structures by 0.01 A. Peak 7676 from nnoeabs.peaks (7.60, 7.60, 111.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 120 + HD21 ASN 120 OK 100 100 - 100 Peak 7677 from nnoeabs.peaks (8.08, 7.60, 111.74 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 120 + HD21 ASN 120 OK 100 100 100 100 1.9-3.4 2.9/3809=71, 7683/1.7=65...(10) Violated in 0 structures by 0.00 A. Peak 7678 from nnoeabs.peaks (4.42, 7.60, 111.74 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 120 + HD21 ASN 120 OK 100 100 100 100 3.4-4.1 3809=100, 2.9/7677=58...(8) HA THR 54 - HD21 ASN 120 far 5 100 5 - 5.7-12.8 HA THR 115 - HD21 ASN 120 far 0 73 0 - 7.5-10.4 HA PRO 58 - HD21 ASN 120 far 0 57 0 - 8.5-18.3 Violated in 0 structures by 0.00 A. Peak 7679 from nnoeabs.peaks (2.80, 7.60, 111.74 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 120 + HD21 ASN 120 OK 100 100 100 100 2.2-3.5 3.5=100 HB3 ASN 120 + HD21 ASN 120 OK 100 100 100 100 2.3-3.5 3.5=100 HB2 ASN 121 - HD21 ASN 120 poor 16 100 30 54 3.0-7.9 3.8/7696=19, ~11626=9...(11) Violated in 0 structures by 0.00 A. Peak 7680 from nnoeabs.peaks (2.80, 7.60, 111.74 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: HB2 ASN 120 + HD21 ASN 120 OK 100 100 100 100 2.2-3.5 3.5=100 * HB3 ASN 120 + HD21 ASN 120 OK 100 100 100 100 2.3-3.5 3.5=100 HB2 ASN 121 - HD21 ASN 120 poor 16 100 30 54 3.0-7.9 3.8/7696=19, ~11626=9...(11) Violated in 0 structures by 0.00 A. Peak 7681 from nnoeabs.peaks (6.77, 7.60, 111.74 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 120 + HD21 ASN 120 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7682 from nnoeabs.peaks (6.77, 6.77, 111.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 120 + HD22 ASN 120 OK 100 100 - 100 Peak 7683 from nnoeabs.peaks (8.08, 6.77, 111.74 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 120 + HD22 ASN 120 OK 100 100 100 100 3.0-5.0 7677/1.7=92, 5.3=90...(9) Violated in 0 structures by 0.00 A. Peak 7684 from nnoeabs.peaks (4.42, 6.77, 111.74 ppm; 4.64 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 120 + HD22 ASN 120 OK 100 100 100 100 4.1-5.0 4.4=100 HA THR 54 - HD22 ASN 120 far 15 100 15 - 4.4-12.8 HA THR 115 - HD22 ASN 120 far 0 73 0 - 7.2-11.5 HA PRO 58 - HD22 ASN 120 far 0 57 0 - 8.0-19.4 Violated in 7 structures by 0.10 A. Peak 7685 from nnoeabs.peaks (2.80, 6.77, 111.74 ppm; 3.94 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 120 + HD22 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 ASN 120 + HD22 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 HB2 ASN 121 + HD22 ASN 120 OK 21 100 35 61 2.9-9.3 3.8/7697=19, ~11626=11...(12) Violated in 0 structures by 0.00 A. Peak 7686 from nnoeabs.peaks (2.80, 6.77, 111.74 ppm; 3.94 A): 3 out of 3 assignments used, quality = 1.00: HB2 ASN 120 + HD22 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 * HB3 ASN 120 + HD22 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 HB2 ASN 121 + HD22 ASN 120 OK 21 100 35 61 2.9-9.3 3.8/7697=19, ~11626=11...(12) Violated in 0 structures by 0.00 A. Peak 7687 from nnoeabs.peaks (7.60, 6.77, 111.74 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 120 + HD22 ASN 120 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7688 from nnoeabs.peaks (8.12, 8.12, 119.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + H ASN 121 OK 100 100 - 100 Peak 7689 from nnoeabs.peaks (3.81, 8.12, 119.98 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + H ASN 121 OK 100 100 100 100 2.6-3.3 3733=70, 3735/7700=60...(22) Violated in 0 structures by 0.00 A. Peak 7690 from nnoeabs.peaks (7.54, 8.12, 119.98 ppm; 5.37 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 119 + H ASN 121 OK 100 100 100 100 3.7-4.2 3.5/7689=82, 7662/4.1=82...(20) H THR 54 - H ASN 121 far 0 99 0 - 8.8-13.9 HE22 GLN 61 - H ASN 121 far 0 89 0 - 9.5-17.3 Violated in 0 structures by 0.00 A. Peak 7691 from nnoeabs.peaks (4.03, 8.12, 119.98 ppm; 4.17 A): 4 out of 9 assignments used, quality = 1.00: HB3 SER 124 + H ASN 121 OK 97 100 100 98 4.4-5.3 3974/2.9=69, ~3968=45...(15) * HA LEU 119 + H ASN 121 OK 94 100 100 94 3.8-4.9 2.8/7690=42, 4.9/7689=40...(19) HA LEU 122 + H ASN 121 OK 65 73 100 88 5.3-5.4 3.6/7704=56, 3838/2.9=23...(10) HB3 SER 99 + H ASN 121 OK 40 83 85 57 4.6-6.0 11475/10322=14...(11) HA LEU 96 - H ASN 121 far 0 90 0 - 5.9-8.6 HA LYS 95 - H ASN 121 far 0 99 0 - 7.5-11.1 HA ALA 92 - H ASN 121 far 0 78 0 - 8.8-13.6 HA LEU 103 - H ASN 121 far 0 98 0 - 8.9-11.2 HA SER 50 - H ASN 121 far 0 60 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 7692 from nnoeabs.peaks (8.08, 8.12, 119.98 ppm; 5.58 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + H ASN 121 OK 100 100 100 100 2.1-2.6 4.1=100 H LEU 103 - H ASN 121 far 0 100 0 - 9.0-10.7 H ALA 109 - H ASN 121 far 0 99 0 - 9.4-17.8 H ALA 108 - H ASN 121 far 0 100 0 - 9.6-17.6 Violated in 0 structures by 0.00 A. Peak 7693 from nnoeabs.peaks (4.42, 8.12, 119.98 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 120 + H ASN 121 OK 100 100 100 100 3.3-3.5 3.6=100 HA THR 54 - H ASN 121 far 0 100 0 - 6.9-12.4 HA THR 115 - H ASN 121 far 0 73 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 7694 from nnoeabs.peaks (2.80, 8.12, 119.98 ppm; 3.57 A): 3 out of 3 assignments used, quality = 1.00: HB2 ASN 121 + H ASN 121 OK 100 100 100 100 2.5-3.6 3.8=83, 1.8/7700=81...(16) * HB2 ASN 120 + H ASN 121 OK 94 100 100 94 2.8-4.3 4.4=52, 11626/2.9=26...(21) HB3 ASN 120 + H ASN 121 OK 93 100 100 93 3.0-4.3 4.4=52, 11626/2.9=29...(19) Violated in 0 structures by 0.00 A. Peak 7695 from nnoeabs.peaks (2.80, 8.12, 119.98 ppm; 3.57 A): 3 out of 3 assignments used, quality = 1.00: HB2 ASN 121 + H ASN 121 OK 100 100 100 100 2.5-3.6 3.8=83, 1.8/7700=81...(16) HB2 ASN 120 + H ASN 121 OK 94 100 100 94 2.8-4.3 4.4=52, 11626/2.9=26...(21) * HB3 ASN 120 + H ASN 121 OK 93 100 100 93 3.0-4.3 4.4=52, 11626/2.9=29...(19) Violated in 0 structures by 0.00 A. Peak 7696 from nnoeabs.peaks (7.60, 8.12, 119.98 ppm; 6.17 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 120 + H ASN 121 OK 100 100 100 100 2.3-4.6 3809/3.6=93, 7677/4.1=84...(14) Violated in 0 structures by 0.00 A. Peak 7697 from nnoeabs.peaks (6.77, 8.12, 119.98 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 120 + H ASN 121 OK 100 100 100 100 3.1-5.9 1.7/7696=95, 7683/4.1=87...(11) Violated in 0 structures by 0.00 A. Peak 7698 from nnoeabs.peaks (4.49, 8.12, 119.98 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 121 + H ASN 121 OK 100 100 100 100 2.8-2.9 2.9=100 HB THR 54 - H ASN 121 far 0 73 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 7699 from nnoeabs.peaks (2.80, 8.12, 119.98 ppm; 3.57 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + H ASN 121 OK 100 100 100 100 2.5-3.6 3.8=83, 1.8/7700=81...(16) HB2 ASN 120 + H ASN 121 OK 94 100 100 94 2.8-4.3 4.4=52, 11626/2.9=26...(21) HB3 ASN 120 + H ASN 121 OK 93 100 100 93 3.0-4.3 4.4=52, 11626/2.9=29...(19) Violated in 0 structures by 0.00 A. Peak 7700 from nnoeabs.peaks (2.98, 8.12, 119.98 ppm; 3.27 A): 1 out of 3 assignments used, quality = 0.95: * HB3 ASN 121 + H ASN 121 OK 95 100 100 95 2.2-2.7 3.8=63, 3735/7689=31...(12) HE3 LYS 24 - H ASN 121 far 0 95 0 - 8.3-34.7 HE2 LYS 24 - H ASN 121 far 0 85 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 7701 from nnoeabs.peaks (6.88, 8.12, 119.98 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 121 + H ASN 121 OK 100 100 100 100 3.4-5.8 5.6=100 HE21 GLN 61 - H ASN 121 far 0 100 0 - 9.7-18.5 Violated in 4 structures by 0.01 A. Peak 7702 from nnoeabs.peaks (7.78, 8.12, 119.98 ppm; 4.47 A): 2 out of 4 assignments used, quality = 1.00: * HD22 ASN 121 + H ASN 121 OK 99 100 100 99 2.7-4.6 3.5/7700=76, 7712=71...(14) H VAL 118 + H ASN 121 OK 70 71 100 99 4.3-4.8 2.8/7689=72...(20) H GLU 55 - H ASN 121 far 0 63 0 - 9.4-13.8 HD22 ASN 59 - H ASN 121 far 0 92 0 - 9.5-14.6 Violated in 0 structures by 0.00 A. Peak 7703 from nnoeabs.peaks (8.18, 8.12, 119.98 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 122 + H ASN 121 OK 100 100 100 100 2.6-3.0 4.0=100 H VAL 63 - H ASN 121 far 0 87 0 - 8.5-15.1 H GLN 127 - H ASN 121 far 0 93 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 7704 from nnoeabs.peaks (8.26, 8.12, 119.98 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.88: * H LEU 123 + H ASN 121 OK 88 100 100 88 3.5-4.3 7738/3.6=50, 7740/2.9=20...(19) H LEU 96 - H ASN 121 far 0 92 0 - 7.9-10.9 Violated in 2 structures by 0.02 A. Peak 7705 from nnoeabs.peaks (6.88, 6.88, 112.45 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD21 ASN 121 + HD21 ASN 121 OK 100 100 - 100 HE21 GLN 134 + HE21 GLN 134 OK 70 70 - 100 HE21 GLN 68 + HE21 GLN 68 OK 38 38 - 100 Peak 7706 from nnoeabs.peaks (8.12, 6.88, 112.45 ppm; 4.82 A): 1 out of 7 assignments used, quality = 1.00: * H ASN 121 + HD21 ASN 121 OK 100 100 100 100 3.4-5.8 7700/3.5=84, 7712/1.7=75...(12) H VAL 133 - HE21 GLN 134 poor 17 49 45 79 5.0-7.8 11075/9118=46...(5) H ILE 32 - HE21 GLN 68 poor 13 38 35 - 3.6-14.7 H ASP 71 - HE21 GLN 68 far 4 42 10 - 4.9-8.0 H LEU 22 - HE21 GLN 68 far 1 28 5 - 5.0-25.2 H THR 25 - HE21 GLN 68 far 0 40 0 - 7.3-23.2 H ASP 71 - HD21 ASN 121 far 0 90 0 - 9.7-18.9 Violated in 9 structures by 0.37 A. Peak 7707 from nnoeabs.peaks (4.49, 6.88, 112.45 ppm; 5.74 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 121 + HD21 ASN 121 OK 100 100 100 100 4.0-4.8 4.5=100 HA ASP 64 - HE21 GLN 68 poor 9 25 95 39 3.6-7.9 6875/6.7=15, ~11024=8...(6) HA SER 106 - HE21 GLN 68 far 0 25 0 - 9.2-21.1 Violated in 0 structures by 0.00 A. Peak 7708 from nnoeabs.peaks (2.80, 6.88, 112.45 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ASN 121 + HD21 ASN 121 OK 100 100 100 100 3.7-4.1 3.5=100 HB2 ASN 120 + HD21 ASN 121 OK 23 100 35 67 4.2-9.5 4.4/7706=26...(14) HB3 ASP 64 - HE21 GLN 68 poor 13 52 25 - 3.9-9.5 HB3 ASN 120 - HD21 ASN 121 far 5 100 5 - 4.9-9.2 HB3 ASP 71 - HE21 GLN 68 far 4 43 10 - 3.8-9.9 HB2 ASP 131 - HE21 GLN 134 far 0 43 0 - 5.9-8.6 HB3 ASN 85 - HE21 GLN 134 far 0 51 0 - 6.8-12.8 Violated in 10 structures by 0.14 A. Peak 7709 from nnoeabs.peaks (2.98, 6.88, 112.45 ppm; 3.96 A): 1 out of 13 assignments used, quality = 1.00: * HB3 ASN 121 + HD21 ASN 121 OK 100 100 100 100 3.4-3.6 3.5=100 HE2 LYS 36 - HE21 GLN 68 poor 12 41 30 - 2.9-11.7 HE3 LYS 36 - HE21 GLN 68 poor 11 45 25 - 3.2-13.0 HE3 LYS 24 - HD21 ASN 121 far 5 95 5 - 5.5-38.3 HE3 LYS 31 - HE21 GLN 68 far 0 50 0 - 6.1-19.6 HE3 LYS 24 - HE21 GLN 68 far 0 45 0 - 6.1-24.3 HE3 LYS 26 - HE21 GLN 68 far 0 50 0 - 6.6-25.9 HE2 LYS 31 - HE21 GLN 68 far 0 48 0 - 6.7-18.7 HE2 LYS 26 - HE21 GLN 68 far 0 50 0 - 6.8-26.1 HE2 LYS 24 - HE21 GLN 68 far 0 38 0 - 7.1-24.9 HE2 LYS 24 - HD21 ASN 121 far 0 85 0 - 7.2-37.0 HE3 LYS 19 - HE21 GLN 68 far 0 48 0 - 7.6-32.6 HE2 LYS 19 - HE21 GLN 68 far 0 42 0 - 8.2-32.7 Violated in 0 structures by 0.00 A. Peak 7710 from nnoeabs.peaks (7.78, 6.88, 112.45 ppm; 2.50 A): 2 out of 5 assignments used, quality = 1.00: * HD22 ASN 121 + HD21 ASN 121 OK 100 100 100 100 1.7-1.7 1.7=100 HE22 GLN 68 + HE21 GLN 68 OK 37 37 100 100 1.7-1.7 1.7=100 H VAL 118 - HD21 ASN 121 poor 14 71 20 - 3.5-8.1 H GLY 75 - HE21 GLN 68 far 0 48 0 - 9.2-13.4 HD22 ASN 59 - HD21 ASN 121 far 0 92 0 - 9.9-17.0 Violated in 0 structures by 0.00 A. Peak 7711 from nnoeabs.peaks (7.78, 7.78, 112.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 121 + HD22 ASN 121 OK 100 100 - 100 Peak 7712 from nnoeabs.peaks (8.12, 7.78, 112.45 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HD22 ASN 121 OK 100 100 100 100 2.7-4.6 7700/3.5=88, 7706/1.7=72...(15) Violated in 0 structures by 0.00 A. Peak 7713 from nnoeabs.peaks (4.49, 7.78, 112.45 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 121 + HD22 ASN 121 OK 100 100 100 100 3.3-4.5 4.5=100 HA SER 106 - HD22 ASN 121 far 0 60 0 - 9.9-17.1 Violated in 0 structures by 0.00 A. Peak 7714 from nnoeabs.peaks (2.80, 7.78, 112.45 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HD22 ASN 121 OK 100 100 100 100 2.7-3.5 3.5=100 HB2 ASN 120 - HD22 ASN 121 poor 20 100 20 - 4.6-8.4 HB3 ASN 120 - HD22 ASN 121 far 5 100 5 - 4.9-8.0 Violated in 0 structures by 0.00 A. Peak 7715 from nnoeabs.peaks (2.98, 7.78, 112.45 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 121 + HD22 ASN 121 OK 100 100 100 100 2.1-2.5 3.5=100 HE3 LYS 24 - HD22 ASN 121 far 5 95 5 - 4.7-37.0 HE2 LYS 24 - HD22 ASN 121 far 0 85 0 - 6.3-35.6 Violated in 0 structures by 0.00 A. Peak 7716 from nnoeabs.peaks (6.88, 7.78, 112.45 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HD22 ASN 121 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7717 from nnoeabs.peaks (8.18, 8.18, 122.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 122 + H LEU 122 OK 100 100 - 100 Peak 7718 from nnoeabs.peaks (3.81, 8.18, 122.62 ppm; 5.55 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + H LEU 122 OK 100 100 100 100 2.0-4.0 3839/7724=80...(41) Violated in 0 structures by 0.00 A. Peak 7719 from nnoeabs.peaks (4.03, 8.18, 122.62 ppm; 4.41 A): 5 out of 9 assignments used, quality = 1.00: * HA LEU 119 + H LEU 122 OK 99 100 100 99 3.7-5.2 3764/3.5=60, 3762=55...(24) HB3 SER 124 + H LEU 122 OK 97 100 100 97 4.8-5.7 3974/3.6=65...(23) HA LEU 96 + H LEU 122 OK 82 90 95 96 3.9-6.0 3855=27, 3868/3.5=17...(47) HB3 SER 99 + H LEU 122 OK 80 83 100 97 2.5-4.9 11702/4.3=28...(24) HA LEU 122 + H LEU 122 OK 73 73 100 100 2.8-2.8 2.9=100 HA LYS 95 - H LEU 122 far 0 99 0 - 6.1-8.7 HA ALA 92 - H LEU 122 far 0 78 0 - 7.5-11.6 HA LEU 103 - H LEU 122 far 0 98 0 - 7.8-9.9 HA SER 50 - H LEU 122 far 0 60 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 7720 from nnoeabs.peaks (8.08, 8.18, 122.62 ppm; 6.11 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + H LEU 122 OK 100 100 100 100 4.3-5.1 7675=100, 10299/4.3=79...(22) H LEU 103 - H LEU 122 far 15 100 15 - 7.5-8.9 H ALA 108 - H LEU 122 far 0 100 0 - 9.0-15.9 H ALA 109 - H LEU 122 far 0 99 0 - 9.2-16.6 Violated in 0 structures by 0.00 A. Peak 7721 from nnoeabs.peaks (4.42, 8.18, 122.62 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 120 + H LEU 122 OK 100 100 100 100 4.2-5.4 7738/3.3=99, 2.9/7675=98...(11) HA THR 54 - H LEU 122 far 5 100 5 - 8.2-14.0 Violated in 0 structures by 0.00 A. Peak 7722 from nnoeabs.peaks (8.12, 8.18, 122.62 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + H LEU 122 OK 100 100 100 100 2.6-3.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 7723 from nnoeabs.peaks (4.49, 8.18, 122.62 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 121 + H LEU 122 OK 100 100 100 100 3.5-3.6 3.6=100 HB THR 54 - H LEU 122 far 0 73 0 - 10.0-15.2 Violated in 0 structures by 0.00 A. Peak 7724 from nnoeabs.peaks (2.80, 8.18, 122.62 ppm; 4.03 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ASN 121 + H LEU 122 OK 99 100 100 99 3.0-3.7 4.3=79, 1.8/7725=70...(19) HB2 ASN 120 - H LEU 122 far 5 100 5 - 5.4-6.9 HB3 ASN 120 - H LEU 122 far 5 100 5 - 5.5-6.6 Violated in 0 structures by 0.00 A. Peak 7725 from nnoeabs.peaks (2.98, 8.18, 122.62 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 121 + H LEU 122 OK 100 100 100 100 1.9-2.8 4.3=92, 1.8/7724=82...(16) HE3 LYS 24 - H LEU 122 far 0 95 0 - 8.7-33.2 HE2 LYS 24 - H LEU 122 far 0 85 0 - 10.0-31.8 Violated in 0 structures by 0.00 A. Peak 7726 from nnoeabs.peaks (6.88, 8.18, 122.62 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 121 + H LEU 122 OK 100 100 100 100 3.3-6.3 3.5/7724=99, 3.5/7725=98...(9) HE21 GLN 61 - H LEU 122 far 0 100 0 - 9.5-17.1 Violated in 0 structures by 0.00 A. Peak 7727 from nnoeabs.peaks (7.78, 8.18, 122.62 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 121 + H LEU 122 OK 100 100 100 100 2.0-5.1 3.5/7724=99, 3.5/7725=98...(12) H VAL 118 + H LEU 122 OK 71 71 100 100 4.8-6.2 2.8/7718=93...(15) HD22 ASN 59 - H LEU 122 far 0 92 0 - 9.1-13.2 Violated in 0 structures by 0.00 A. Peak 7728 from nnoeabs.peaks (4.05, 8.18, 122.62 ppm; 4.22 A): 4 out of 6 assignments used, quality = 1.00: * HA LEU 122 + H LEU 122 OK 100 100 100 100 2.8-2.8 2.9=100 HA LEU 96 + H LEU 122 OK 86 99 90 96 3.9-6.0 3855=40, 3858/3.5=15...(47) HA LEU 119 + H LEU 122 OK 71 73 100 97 3.7-5.2 3.6/7675=46, 3764/3.5=34...(22) HB3 SER 124 + H LEU 122 OK 67 83 90 90 4.8-5.7 3974/3.6=45, 4.0/7759=23...(21) HA ALA 92 - H LEU 122 far 0 100 0 - 7.5-11.6 HB THR 65 - H LEU 122 far 0 90 0 - 8.3-15.1 Violated in 0 structures by 0.00 A. Peak 7729 from nnoeabs.peaks (1.61, 8.18, 122.62 ppm; 4.70 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 122 + H LEU 122 OK 100 100 100 100 2.0-2.6 3.5=100 HG LEU 122 + H LEU 122 OK 100 100 100 100 2.4-4.6 4.6=100 HG LEU 119 - H LEU 122 far 0 95 0 - 6.2-7.7 HG LEU 70 - H LEU 122 far 0 100 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 7730 from nnoeabs.peaks (1.79, 8.18, 122.62 ppm; 3.52 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 122 + H LEU 122 OK 100 100 100 100 2.8-3.6 3.5=100 HB3 LEU 123 - H LEU 122 poor 12 39 30 - 4.6-6.0 HB2 LEU 100 - H LEU 122 far 3 63 5 - 3.8-7.2 HG LEU 100 - H LEU 122 far 0 89 0 - 5.5-8.6 HB3 LEU 103 - H LEU 122 far 0 100 0 - 6.3-8.5 HB3 LEU 98 - H LEU 122 far 0 98 0 - 6.8-10.1 Violated in 3 structures by 0.01 A. Peak 7731 from nnoeabs.peaks (1.60, 8.18, 122.62 ppm; 4.70 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 122 + H LEU 122 OK 100 100 100 100 2.4-4.6 4.6=100 HB2 LEU 122 + H LEU 122 OK 100 100 100 100 2.0-2.6 3.5=100 HB2 LEU 103 - H LEU 122 poor 16 65 25 - 5.9-8.1 HG LEU 119 - H LEU 122 far 0 89 0 - 6.2-7.7 HG LEU 70 - H LEU 122 far 0 99 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 7732 from nnoeabs.peaks (0.81, 8.18, 122.62 ppm; 4.03 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 122 + H LEU 122 OK 100 100 100 100 1.9-4.4 4.3=82, 3899/3.3=38...(41) QD2 LEU 122 + H LEU 122 OK 82 83 100 99 1.7-4.2 5.1=51, 3907/3.3=24...(44) QD1 LEU 53 - H LEU 122 poor 15 95 25 62 4.7-8.3 ~11818=18, 3907/3.3=15...(16) QD2 LEU 119 - H LEU 122 far 5 99 5 - 4.9-7.2 QD1 LEU 70 - H LEU 122 far 0 96 0 - 5.6-10.1 QD1 LEU 103 - H LEU 122 far 0 71 0 - 5.7-8.3 QD2 LEU 49 - H LEU 122 far 0 97 0 - 5.9-9.7 QG1 VAL 63 - H LEU 122 far 0 73 0 - 7.5-11.4 Violated in 0 structures by 0.00 A. Peak 7733 from nnoeabs.peaks (0.79, 8.18, 122.62 ppm; 4.18 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 122 + H LEU 122 OK 99 100 100 99 1.7-4.2 5.1=57, 3907/3.3=34...(44) QD1 LEU 122 + H LEU 122 OK 83 83 100 100 1.9-4.4 4.3=92, 3899/3.3=30...(41) QD1 LEU 53 + H LEU 122 OK 24 99 35 68 4.7-8.3 3907/3.3=21, ~11818=19...(17) QD2 LEU 119 - H LEU 122 far 5 93 5 - 4.9-7.2 QD1 LEU 103 - H LEU 122 far 0 100 0 - 5.7-8.3 QD1 LEU 96 - H LEU 122 far 0 92 0 - 5.8-8.6 QD2 LEU 49 - H LEU 122 far 0 97 0 - 5.9-9.7 QG1 VAL 63 - H LEU 122 far 0 100 0 - 7.5-11.4 Violated in 0 structures by 0.00 A. Peak 7734 from nnoeabs.peaks (8.26, 8.18, 122.62 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 123 + H LEU 122 OK 100 100 100 100 2.5-2.9 3.3=100 H LEU 96 + H LEU 122 OK 22 92 25 97 6.0-8.4 2.9/3855=39, 3862/2.9=23...(33) H SER 107 - H LEU 122 far 0 71 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 7735 from nnoeabs.peaks (7.95, 8.18, 122.62 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * H SER 124 + H LEU 122 OK 100 100 100 100 4.0-4.7 7761/3.3=100...(29) HD22 ASN 116 - H LEU 122 poor 18 60 75 41 6.6-11.5 ~10216=13...(7) H ASP 64 - H LEU 122 far 0 95 0 - 9.5-14.9 H VAL 112 - H LEU 122 far 0 97 0 - 9.6-16.8 Violated in 0 structures by 0.00 A. Peak 7736 from nnoeabs.peaks (8.26, 8.26, 119.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H LEU 123 + H LEU 123 OK 100 100 - 100 H GLU 30 + H GLU 30 OK 100 100 - 100 H ASP 131 + H ASP 131 OK 81 81 - 100 Peak 7737 from nnoeabs.peaks (4.03, 8.26, 119.72 ppm; 5.00 A): 5 out of 16 assignments used, quality = 1.00: * HA LEU 119 + H LEU 123 OK 100 100 100 100 3.6-4.6 2.9/11552=71...(23) HB3 SER 124 + H LEU 123 OK 99 100 100 99 4.3-4.8 3975/7761=78...(17) HA LEU 96 + H LEU 123 OK 74 90 100 82 4.8-6.2 3855/3.3=20, 3868/4.3=18...(20) HA LEU 122 + H LEU 123 OK 73 73 100 100 3.5-3.6 3.6=100 HB3 SER 99 + H LEU 123 OK 69 83 95 87 4.6-7.5 3214/3.6=28...(14) HA SER 50 - H LEU 123 far 6 60 10 - 6.4-8.7 HA GLU 44 - H GLU 30 far 0 75 0 - 7.0-22.0 HA ARG 135 - H ASP 131 far 0 84 0 - 7.2-9.4 HA SER 60 - H GLU 30 far 0 89 0 - 7.9-21.3 HA LYS 95 - H LEU 123 far 0 99 0 - 8.2-10.5 HA ALA 92 - H LEU 123 far 0 78 0 - 8.5-11.8 HA ALA 92 - H ASP 131 far 0 62 0 - 8.6-10.3 HA SER 50 - H ASP 131 far 0 46 0 - 8.7-11.7 HD3 PRO 81 - H ASP 131 far 0 80 0 - 8.7-11.5 HA GLU 44 - H ASP 131 far 0 60 0 - 9.0-11.0 HA LEU 103 - H LEU 123 far 0 98 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 7738 from nnoeabs.peaks (4.42, 8.26, 119.72 ppm; 4.11 A): 1 out of 7 assignments used, quality = 1.00: * HA ASN 120 + H LEU 123 OK 100 100 100 100 3.5-4.4 11560=91, 3.6/7704=55...(20) HA THR 54 - H LEU 123 far 0 100 0 - 6.1-12.1 HA ASP 71 - H GLU 30 far 0 97 0 - 6.9-19.7 HA SER 33 - H GLU 30 far 0 62 0 - 7.4-9.5 HA MET 11 - H GLU 30 far 0 100 0 - 7.8-31.2 HA HIS 5 - H GLU 30 far 0 92 0 - 9.2-48.5 HA PRO 58 - H GLU 30 far 0 56 0 - 9.8-25.6 Violated in 9 structures by 0.06 A. Peak 7739 from nnoeabs.peaks (8.12, 8.26, 119.72 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: * H ASN 121 + H LEU 123 OK 100 100 100 100 3.5-4.3 7704=100, 3.6/7738=99...(23) H ILE 32 + H GLU 30 OK 83 84 100 100 2.5-4.4 10829/4.0=71...(19) H VAL 133 + H ASP 131 OK 58 58 100 100 3.8-4.2 4.7/11648=67...(16) H ALA 15 - H GLU 30 far 8 80 10 - 6.0-25.0 H ASP 71 - H GLU 30 far 4 89 5 - 8.3-17.0 H THR 25 - H GLU 30 lone 2 86 55 5 5.9-11.2 6234/6316=2 H LEU 22 - H GLU 30 far 0 64 0 - 8.7-17.1 Violated in 0 structures by 0.00 A. Peak 7740 from nnoeabs.peaks (4.49, 8.26, 119.72 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 121 + H LEU 123 OK 100 100 100 100 4.4-4.9 2.9/7704=100...(16) HB THR 54 - H LEU 123 far 4 73 5 - 7.6-13.1 HA SER 106 - H GLU 30 far 3 59 5 - 6.5-26.2 HA ASP 64 - H GLU 30 lone 1 59 35 5 4.9-17.0 9411/7747=2 HA ASP 64 - H LEU 123 far 0 60 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 7741 from nnoeabs.peaks (8.18, 8.26, 119.72 ppm; 5.58 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 122 + H LEU 123 OK 100 100 100 100 2.5-2.9 3.3=100 H GLN 127 + H LEU 123 OK 88 93 100 94 5.4-6.2 7759/7761=36...(18) H GLN 127 + H ASP 131 OK 67 77 100 87 6.1-6.8 7820/7896=43...(7) H VAL 63 - H LEU 123 far 0 87 0 - 7.2-11.9 H VAL 63 - H GLU 30 far 0 86 0 - 8.6-19.1 Violated in 0 structures by 0.00 A. Peak 7742 from nnoeabs.peaks (4.05, 8.26, 119.72 ppm; 4.45 A): 4 out of 13 assignments used, quality = 1.00: * HA LEU 122 + H LEU 123 OK 100 100 100 100 3.5-3.6 3.6=100 HB3 SER 124 + H LEU 123 OK 78 83 100 94 4.3-4.8 4.0/7761=61...(17) HA LEU 119 + H LEU 123 OK 72 73 100 98 3.6-4.6 2.9/11552=58...(22) HA LEU 96 + H LEU 123 OK 69 99 85 83 4.8-6.2 3855/3.3=27...(19) HB THR 65 - H GLU 30 far 4 89 5 - 5.3-19.3 HB2 SER 74 - H GLU 30 far 4 86 5 - 4.9-21.8 HB3 SER 74 - H GLU 30 far 4 84 5 - 3.4-22.1 HB THR 65 - H LEU 123 far 0 90 0 - 6.5-13.1 HA GLU 44 - H GLU 30 far 0 100 0 - 7.0-22.0 HA ALA 92 - H LEU 123 far 0 100 0 - 8.5-11.8 HA ALA 92 - H ASP 131 far 0 87 0 - 8.6-10.3 HD3 PRO 81 - H ASP 131 far 0 80 0 - 8.7-11.5 HA GLU 44 - H ASP 131 far 0 87 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 7743 from nnoeabs.peaks (1.61, 8.26, 119.72 ppm; 5.03 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 122 + H LEU 123 OK 100 100 100 100 2.7-4.0 4.3=100 HG LEU 122 + H LEU 123 OK 99 100 100 99 1.8-4.5 2.1/3899=66, 2.1/3907=51...(32) HG LEU 119 + H LEU 123 OK 60 95 70 91 5.9-7.6 2.9/11552=72...(15) HG3 ARG 23 - H GLU 30 far 9 88 10 - 6.2-17.6 HB3 LEU 22 - H GLU 30 far 0 98 0 - 7.9-17.7 HG LEU 70 - H LEU 123 far 0 100 0 - 8.1-10.8 HG LEU 22 - H GLU 30 far 0 98 0 - 8.4-19.6 HG LEU 70 - H GLU 30 far 0 100 0 - 9.2-18.6 Violated in 0 structures by 0.00 A. Peak 7744 from nnoeabs.peaks (1.79, 8.26, 119.72 ppm; 3.77 A): 4 out of 16 assignments used, quality = 0.99: * HB3 LEU 122 + H LEU 123 OK 96 100 100 96 3.7-4.2 4.3=65, 3.1/3899=34...(28) HB ILE 32 + H GLU 30 OK 43 72 65 91 4.2-6.9 10790/3.7=48...(16) HB3 LEU 123 + H LEU 123 OK 39 39 100 99 2.1-3.5 3.9=89, 3.2/3944=49...(19) HB3 LYS 31 + H GLU 30 OK 26 86 55 55 4.1-6.3 6332/4.6=29, 4.6/7906=9...(11) HB3 LYS 26 - H GLU 30 poor 14 70 20 - 4.7-11.1 HB3 ARG 23 - H GLU 30 far 3 59 5 - 4.1-16.0 HB2 LEU 100 - H LEU 123 far 0 63 0 - 5.8-7.6 HB3 LYS 19 - H GLU 30 far 0 86 0 - 6.1-22.4 HB2 LEU 48 - H GLU 30 far 0 94 0 - 6.1-21.8 HG LEU 100 - H LEU 123 far 0 89 0 - 6.2-8.4 HB2 LYS 36 - H GLU 30 far 0 75 0 - 6.4-16.5 HB3 LYS 24 - H GLU 30 far 0 82 0 - 6.5-13.5 HB3 ARG 135 - H ASP 131 far 0 58 0 - 7.2-9.6 HB3 LEU 103 - H LEU 123 far 0 100 0 - 7.7-9.0 HB3 LEU 98 - H LEU 123 far 0 98 0 - 8.8-12.5 HG LEU 100 - H GLU 30 far 0 88 0 - 9.9-18.1 Violated in 0 structures by 0.00 A. Peak 7745 from nnoeabs.peaks (1.60, 8.26, 119.72 ppm; 4.99 A): 3 out of 10 assignments used, quality = 1.00: HB2 LEU 122 + H LEU 123 OK 100 100 100 100 2.7-4.0 4.3=100 * HG LEU 122 + H LEU 123 OK 99 100 100 99 1.8-4.5 2.1/3899=65, 2.1/3907=50...(32) HG LEU 119 + H LEU 123 OK 44 89 55 90 5.9-7.6 2.9/11552=71...(15) HG3 ARG 23 - H GLU 30 far 8 80 10 - 6.2-17.6 HG2 ARG 23 - H GLU 30 far 3 59 5 - 6.2-17.6 HB2 LEU 103 - H LEU 123 far 0 65 0 - 7.5-10.0 HB3 LEU 22 - H GLU 30 far 0 95 0 - 7.9-17.7 HG LEU 70 - H LEU 123 far 0 99 0 - 8.1-10.8 HG LEU 22 - H GLU 30 far 0 95 0 - 8.4-19.6 HG LEU 70 - H GLU 30 far 0 98 0 - 9.2-18.6 Violated in 0 structures by 0.00 A. Peak 7746 from nnoeabs.peaks (0.81, 8.26, 119.72 ppm; 4.17 A): 7 out of 26 assignments used, quality = 1.00: * QD1 LEU 122 + H LEU 123 OK 100 100 100 100 1.5-3.8 3899=68, 2.1/3907=43...(41) QD2 LEU 122 + H LEU 123 OK 82 83 100 99 1.6-3.9 2.1/3899=51, 3907=39...(40) QD1 LEU 53 + H LEU 123 OK 78 95 90 92 2.9-6.2 ~9254=39, 2.1/11818=31...(26) QG2 ILE 129 + H ASP 131 OK 74 75 100 98 4.3-4.8 4.2/7891=48, 4.0/7896=32...(23) QG1 VAL 133 + H ASP 131 OK 43 44 100 98 3.6-4.3 4.0/7925=42, ~10564=32...(24) QD2 LEU 119 + H LEU 123 OK 31 99 35 90 4.7-6.9 3.1/11552=49...(18) QD2 LEU 49 + H LEU 123 OK 22 97 25 90 4.2-8.1 11422/3944=22, ~9209=16...(24) QD1 LEU 70 - H LEU 123 far 10 96 10 - 5.1-10.2 QG1 VAL 63 - H GLU 30 far 4 72 5 - 4.4-13.5 QD2 LEU 49 - H GLU 30 far 0 97 0 - 6.4-14.2 QD1 LEU 70 - H GLU 30 far 0 95 0 - 6.4-16.7 QD1 LEU 103 - H LEU 123 far 0 71 0 - 6.6-9.5 QG2 ILE 80 - H ASP 131 far 0 85 0 - 7.5-10.9 QD1 LEU 53 - H ASP 131 far 0 78 0 - 7.6-11.4 QD2 LEU 49 - H ASP 131 far 0 82 0 - 7.6-9.0 QD1 ILE 37 - H GLU 30 far 0 62 0 - 7.6-13.0 QG1 VAL 63 - H LEU 123 far 0 73 0 - 7.7-11.0 QD1 LEU 53 - H GLU 30 far 0 94 0 - 8.5-20.4 HG13 ILE 80 - H ASP 131 far 0 72 0 - 8.6-12.8 QD2 LEU 122 - H ASP 131 far 0 66 0 - 8.8-12.8 QD1 LEU 70 - H ASP 131 far 0 80 0 - 8.8-13.1 QD1 LEU 122 - H ASP 131 far 0 87 0 - 9.1-12.1 QD1 ILE 37 - H ASP 131 far 0 49 0 - 9.1-14.0 QD1 ILE 37 - H LEU 123 far 0 63 0 - 9.6-17.1 QG2 ILE 129 - H LEU 123 far 0 92 0 - 9.6-10.7 QD1 LEU 103 - H GLU 30 far 0 70 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 7747 from nnoeabs.peaks (0.79, 8.26, 119.72 ppm; 4.21 A): 6 out of 24 assignments used, quality = 1.00: * QD2 LEU 122 + H LEU 123 OK 99 100 100 99 1.6-3.9 3907=52, 2.1/3899=52...(42) QD1 ILE 32 + H GLU 30 OK 93 97 100 97 3.1-5.3 10737/3.6=55...(18) QD1 LEU 53 + H LEU 123 OK 83 99 90 93 2.9-6.2 ~9254=40, 3907=32...(27) QD1 LEU 122 + H LEU 123 OK 82 83 100 99 1.5-3.8 3899=52, 2.1/3907=43...(40) QD2 LEU 119 + H LEU 123 OK 37 93 45 89 4.7-6.9 3.1/11552=50...(18) QD2 LEU 49 + H LEU 123 OK 22 97 25 90 4.2-8.1 11422/3944=23, ~9209=16...(25) QG1 VAL 63 - H GLU 30 far 5 99 5 - 4.4-13.5 QD1 LEU 96 - H LEU 123 far 0 92 0 - 5.8-8.1 QD2 LEU 49 - H GLU 30 far 0 97 0 - 6.4-14.2 QD1 LEU 103 - H LEU 123 far 0 100 0 - 6.6-9.5 QD1 LEU 96 - H ASP 131 far 0 75 0 - 7.4-10.3 QG2 ILE 80 - H ASP 131 far 0 51 0 - 7.5-10.9 QD1 LEU 53 - H ASP 131 far 0 85 0 - 7.6-11.4 QD2 LEU 49 - H ASP 131 far 0 82 0 - 7.6-9.0 QD1 ILE 37 - H GLU 30 far 0 98 0 - 7.6-13.0 QG1 VAL 63 - H LEU 123 far 0 100 0 - 7.7-11.0 QD1 LEU 53 - H GLU 30 far 0 98 0 - 8.5-20.4 QD2 LEU 122 - H ASP 131 far 0 87 0 - 8.8-12.8 QD1 LEU 96 - H GLU 30 far 0 91 0 - 9.1-16.2 QD1 LEU 122 - H ASP 131 far 0 66 0 - 9.1-12.1 QD1 ILE 37 - H ASP 131 far 0 84 0 - 9.1-14.0 QD1 ILE 37 - H LEU 123 far 0 99 0 - 9.6-17.1 QD1 LEU 103 - H GLU 30 far 0 99 0 - 9.9-18.8 QD1 ILE 32 - H LEU 123 far 0 97 0 - 10.0-15.0 Violated in 0 structures by 0.00 A. Peak 7748 from nnoeabs.peaks (3.85, 8.26, 119.72 ppm; 3.81 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 123 + H LEU 123 OK 100 100 100 100 2.7-2.9 2.9=100 HB2 SER 130 + H ASP 131 OK 48 53 100 90 3.1-4.0 4.6=56, 3.9/7891=44...(14) HA LEU 62 - H LEU 123 far 0 100 0 - 6.1-10.5 HB2 SER 50 - H ASP 131 far 0 82 0 - 6.6-10.2 HB3 SER 33 - H GLU 30 far 0 99 0 - 7.0-10.9 HB2 SER 50 - H LEU 123 far 0 97 0 - 7.5-10.2 HD3 PRO 58 - H GLU 30 far 0 62 0 - 7.5-27.3 HA LEU 62 - H GLU 30 far 0 100 0 - 8.2-19.7 HD2 PRO 81 - H ASP 131 far 0 86 0 - 8.8-11.2 HD2 PRO 117 - H LEU 123 far 0 96 0 - 9.1-11.2 HA GLU 40 - H ASP 131 far 0 85 0 - 9.4-12.7 HA LEU 123 - H ASP 131 far 0 87 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 7749 from nnoeabs.peaks (1.65, 8.26, 119.72 ppm; 4.12 A): 2 out of 25 assignments used, quality = 1.00: * HB2 LEU 123 + H LEU 123 OK 100 100 100 100 2.0-3.6 3.9=100 HG LEU 62 + H LEU 123 OK 23 100 25 91 4.4-9.4 2.1/11483=31, 10956=27...(22) HD3 LYS 31 - H GLU 30 poor 17 97 40 44 2.5-7.6 6336/4.6=13, 3.5/7744=8...(10) HD2 LYS 31 - H GLU 30 poor 15 96 35 45 3.2-8.5 6336/4.6=13, 3.5/7744=8...(11) HD3 LYS 26 - H GLU 30 far 10 98 10 - 3.3-12.6 HD2 LYS 26 - H GLU 30 far 10 97 10 - 3.4-12.3 HD3 LYS 19 - H GLU 30 far 5 100 5 - 4.5-24.5 HD2 LYS 19 - H GLU 30 far 5 100 5 - 5.6-23.7 HG LEU 43 - H ASP 131 far 4 85 5 - 5.3-9.2 HG LEU 119 - H LEU 123 far 0 63 0 - 5.9-7.6 HG3 ARG 23 - H GLU 30 far 0 72 0 - 6.2-17.6 QB ALA 88 - H ASP 131 far 0 81 0 - 6.5-8.0 HD2 LYS 36 - H GLU 30 far 0 82 0 - 6.6-12.4 HD3 LYS 36 - H GLU 30 far 0 82 0 - 6.7-13.3 HD2 LYS 24 - H GLU 30 far 0 96 0 - 6.9-15.3 HB2 LEU 69 - H LEU 123 far 0 85 0 - 7.2-12.6 HD3 LYS 24 - H GLU 30 far 0 97 0 - 7.5-14.3 HD2 LYS 95 - H ASP 131 far 0 86 0 - 9.1-16.3 HB2 LEU 69 - H GLU 30 far 0 84 0 - 9.1-15.0 HB2 LEU 69 - H ASP 131 far 0 68 0 - 9.3-11.6 HD2 LYS 95 - H LEU 123 far 0 100 0 - 9.6-13.1 HD3 LYS 24 - H LEU 123 far 0 97 0 - 9.8-31.0 HB2 LEU 98 - H LEU 123 far 0 100 0 - 9.8-13.2 HD2 LYS 39 - H ASP 131 far 0 49 0 - 9.9-14.3 HB2 LEU 123 - H ASP 131 far 0 87 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 7750 from nnoeabs.peaks (1.88, 8.26, 119.72 ppm; 3.80 A): 1 out of 5 assignments used, quality = 0.98: * HB3 LEU 123 + H LEU 123 OK 98 98 100 100 2.1-3.5 3.9=91, 3.2/3944=50...(21) HB3 LEU 119 - H LEU 123 far 0 100 0 - 5.6-6.3 HB3 LEU 48 - H GLU 30 far 0 86 0 - 5.7-21.0 HB2 ARG 135 - H ASP 131 far 0 53 0 - 6.1-9.8 HB3 LYS 36 - H GLU 30 far 0 98 0 - 6.7-15.9 Violated in 0 structures by 0.00 A. Peak 7752 from nnoeabs.peaks (0.88, 8.26, 119.72 ppm; 4.25 A): 4 out of 29 assignments used, quality = 1.00: * QD2 LEU 123 + H LEU 123 OK 100 100 100 100 2.4-4.1 3944=100, 3.2/7750=67...(29) QG1 VAL 118 + H LEU 123 OK 86 92 100 93 2.6-5.5 11748/3.3=24, 390/4.3=23...(23) QD1 LEU 49 + H LEU 123 OK 40 63 75 85 4.3-7.0 3913/2.9=18...(21) QD1 LEU 62 + H LEU 123 OK 30 60 60 83 3.8-7.8 2.1/11483=33...(18) QD2 LEU 48 - H GLU 30 poor 14 72 20 - 4.5-17.9 QG2 VAL 20 - H GLU 30 far 5 98 5 - 5.2-15.0 QD2 LEU 69 - H ASP 131 far 4 75 5 - 5.3-9.0 QD2 LEU 70 - H LEU 123 far 0 63 0 - 5.9-9.3 QD2 LEU 69 - H LEU 123 far 0 92 0 - 6.1-10.5 QD1 LEU 22 - H GLU 30 far 0 97 0 - 6.1-16.4 QG1 VAL 20 - H GLU 30 far 0 75 0 - 6.2-17.2 QD2 LEU 70 - H GLU 30 far 0 62 0 - 6.3-15.3 QD1 LEU 49 - H ASP 131 far 0 49 0 - 6.3-8.5 QD2 LEU 98 - H LEU 123 far 0 99 0 - 6.4-10.9 QG2 VAL 63 - H LEU 123 far 0 68 0 - 6.4-10.0 QG2 VAL 63 - H GLU 30 far 0 67 0 - 6.7-14.6 QG2 VAL 57 - H LEU 123 far 0 78 0 - 6.9-9.9 QD2 LEU 69 - H GLU 30 far 0 91 0 - 7.3-14.0 QD2 LEU 123 - H ASP 131 far 0 87 0 - 7.5-11.2 QD1 LEU 98 - H LEU 123 far 0 78 0 - 7.8-12.0 QD2 LEU 48 - H LEU 123 far 0 73 0 - 8.3-12.3 QD1 LEU 49 - H GLU 30 far 0 62 0 - 8.3-16.6 QD2 LEU 70 - H ASP 131 far 0 49 0 - 8.3-12.8 QG2 VAL 57 - H GLU 30 far 0 77 0 - 8.5-20.3 QD2 LEU 98 - H GLU 30 far 0 98 0 - 8.9-20.7 QD1 LEU 62 - H GLU 30 far 0 59 0 - 9.1-16.2 QD2 LEU 123 - H GLU 30 far 0 100 0 - 9.4-17.9 QD1 LEU 98 - H GLU 30 far 0 77 0 - 9.5-22.6 QD2 LEU 48 - H ASP 131 far 0 58 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 7753 from nnoeabs.peaks (0.93, 8.26, 119.72 ppm; 4.34 A): 5 out of 25 assignments used, quality = 1.00: * QD1 LEU 123 + H LEU 123 OK 100 100 100 100 3.8-4.5 3952=81, 2.1/3944=79...(20) QD1 LEU 49 + H LEU 123 OK 73 92 85 94 4.3-7.0 3950/3944=27...(23) QG1 VAL 126 + H LEU 123 OK 56 60 95 99 3.4-6.3 ~3917=39, ~4008=34...(33) QD1 LEU 62 + H LEU 123 OK 55 93 65 91 3.8-7.8 2.1/11483=34...(21) QG1 VAL 118 + H LEU 123 OK 53 63 100 84 2.6-5.5 ~7718=22, 10322/7704=16...(23) QD2 LEU 48 - H GLU 30 poor 17 84 20 - 4.5-17.9 QD1 LEU 48 - H GLU 30 far 10 99 10 - 5.8-18.4 QD1 LEU 119 - H LEU 123 far 5 93 5 - 5.4-7.1 QG1 VAL 57 - H GLU 30 far 0 80 0 - 6.2-22.1 QG1 VAL 20 - H GLU 30 far 0 82 0 - 6.2-17.2 QG1 VAL 126 - H ASP 131 far 0 46 0 - 6.3-8.0 QD1 LEU 49 - H ASP 131 far 0 75 0 - 6.3-8.5 QG2 VAL 63 - H LEU 123 far 0 89 0 - 6.4-10.0 QG2 VAL 63 - H GLU 30 far 0 88 0 - 6.7-14.6 QD1 LEU 123 - H ASP 131 far 0 87 0 - 7.7-11.5 QD1 LEU 48 - H LEU 123 far 0 100 0 - 8.1-13.1 QD2 LEU 48 - H LEU 123 far 0 85 0 - 8.3-12.3 QD1 LEU 49 - H GLU 30 far 0 91 0 - 8.3-16.6 QG1 VAL 57 - H LEU 123 far 0 81 0 - 8.7-12.4 QG2 ILE 37 - H LEU 123 far 0 99 0 - 8.9-17.2 QD1 LEU 62 - H GLU 30 far 0 92 0 - 9.1-16.2 QD1 LEU 48 - H ASP 131 far 0 86 0 - 9.4-12.6 QG2 ILE 37 - H GLU 30 far 0 98 0 - 9.5-13.4 QD2 LEU 48 - H ASP 131 far 0 68 0 - 9.6-12.9 QG2 ILE 37 - H ASP 131 far 0 84 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 7754 from nnoeabs.peaks (7.95, 8.26, 119.72 ppm; 4.76 A): 1 out of 5 assignments used, quality = 1.00: * H SER 124 + H LEU 123 OK 100 100 100 100 2.5-2.9 4.2=100 HD22 ASN 116 - H LEU 123 far 0 60 0 - 6.3-13.3 H ASP 64 - H GLU 30 far 0 94 0 - 6.9-18.5 H THR 18 - H GLU 30 far 0 64 0 - 8.0-23.9 H ASP 64 - H LEU 123 far 0 95 0 - 8.9-13.5 Violated in 0 structures by 0.00 A. Peak 7755 from nnoeabs.peaks (8.04, 8.26, 119.72 ppm; 5.62 A): 2 out of 10 assignments used, quality = 1.00: * H CYS 125 + H LEU 123 OK 100 100 100 100 3.9-4.4 3.4/7761=92, 7776=62...(25) H SER 130 + H ASP 131 OK 84 84 100 100 2.5-2.8 4.5=100 H ALA 16 - H GLU 30 far 5 94 5 - 6.7-24.1 H VAL 20 - H GLU 30 far 0 82 0 - 7.3-20.6 H LEU 48 - H GLU 30 far 0 100 0 - 7.5-20.7 H TYR 76 - H GLU 30 far 0 100 0 - 8.1-23.0 H CYS 125 - H ASP 131 far 0 87 0 - 9.1-9.8 H ALA 52 - H LEU 123 far 0 92 0 - 9.3-12.1 H LEU 48 - H ASP 131 far 0 87 0 - 9.6-11.8 H ALA 52 - H GLU 30 far 0 91 0 - 10.0-23.4 Violated in 0 structures by 0.00 A. Peak 7756 from nnoeabs.peaks (7.95, 7.95, 113.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + H SER 124 OK 100 100 - 100 Peak 7757 from nnoeabs.peaks (4.42, 7.95, 113.43 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 120 + H SER 124 OK 100 100 100 100 3.0-4.2 7738/7761=77...(16) HA THR 54 - H SER 124 far 5 100 5 - 5.8-11.2 Violated in 0 structures by 0.00 A. Peak 7758 from nnoeabs.peaks (4.49, 7.95, 113.43 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 121 + H SER 124 OK 100 100 100 100 3.5-4.3 3836=98, 3968/7769=66...(15) HB THR 54 - H SER 124 far 0 73 0 - 6.8-12.4 Violated in 0 structures by 0.00 A. Peak 7759 from nnoeabs.peaks (8.18, 7.95, 113.43 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 122 + H SER 124 OK 100 100 100 100 4.0-4.7 3.3/7761=77, 3.6/7758=63...(29) H GLN 127 + H SER 124 OK 92 93 100 99 4.5-4.9 3965/2.9=67, 3.5/7772=66...(18) H VAL 63 - H SER 124 far 0 87 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 7760 from nnoeabs.peaks (4.05, 7.95, 113.43 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.99: * HA LEU 122 + H SER 124 OK 96 100 100 96 4.0-5.1 3.6/7761=61, 4.9/7758=38...(19) HB3 SER 124 + H SER 124 OK 83 83 100 100 2.1-2.3 4.0=100 HA LEU 119 - H SER 124 poor 18 73 30 81 5.3-7.0 2.9/11551=40...(14) HA LEU 96 - H SER 124 far 5 99 5 - 5.4-6.8 HA ALA 92 - H SER 124 far 0 100 0 - 7.7-11.0 HB THR 65 - H SER 124 far 0 90 0 - 8.4-14.4 Violated in 0 structures by 0.00 A. Peak 7761 from nnoeabs.peaks (8.26, 7.95, 113.43 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 123 + H SER 124 OK 100 100 100 100 2.5-2.9 4.2=74, 7750/7764=48...(22) H LEU 96 - H SER 124 far 0 92 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 7762 from nnoeabs.peaks (3.85, 7.95, 113.43 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 123 + H SER 124 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 50 - H SER 124 far 0 97 0 - 7.3-9.7 HA LEU 62 - H SER 124 far 0 100 0 - 8.0-13.1 HB2 SER 130 - H SER 124 far 0 68 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 7763 from nnoeabs.peaks (1.65, 7.95, 113.43 ppm; 3.94 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 123 + H SER 124 OK 100 100 100 100 2.6-4.2 1.8/7764=80, 3926=76...(25) HG LEU 62 - H SER 124 far 0 100 0 - 6.3-11.9 HG LEU 119 - H SER 124 far 0 63 0 - 8.0-9.9 HD2 LYS 95 - H SER 124 far 0 100 0 - 8.1-12.6 HB2 LEU 69 - H SER 124 far 0 85 0 - 8.3-13.0 HD3 LYS 95 - H SER 124 far 0 98 0 - 9.6-11.8 Violated in 3 structures by 0.02 A. Peak 7764 from nnoeabs.peaks (1.88, 7.95, 113.43 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.98: * HB3 LEU 123 + H SER 124 OK 98 98 100 99 2.1-3.7 1.8/7763=68, 4.6=53...(20) HB3 LEU 119 - H SER 124 far 0 100 0 - 6.4-7.8 Violated in 0 structures by 0.00 A. Peak 7765 from nnoeabs.peaks (1.57, 7.95, 113.43 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 123 + H SER 124 OK 100 100 100 100 2.4-5.3 3.0/7764=68, 3.0/7763=65...(23) HB2 LEU 119 - H SER 124 far 0 78 0 - 6.4-7.8 HG LEU 49 - H SER 124 far 0 100 0 - 7.8-11.2 HB2 LEU 103 - H SER 124 far 0 97 0 - 9.9-12.0 Violated in 19 structures by 0.71 A. Peak 7766 from nnoeabs.peaks (0.88, 7.95, 113.43 ppm; 4.53 A): 3 out of 11 assignments used, quality = 1.00: * QD2 LEU 123 + H SER 124 OK 100 100 100 100 3.9-4.5 2.1/7765=81, 3.2/7764=75...(22) QG1 VAL 118 + H SER 124 OK 63 92 85 81 5.0-7.0 10324/7758=40...(14) QD1 LEU 49 + H SER 124 OK 35 63 75 73 4.6-7.3 3933/7764=20...(13) QD1 LEU 62 - H SER 124 far 6 60 10 - 5.5-9.8 QD2 LEU 70 - H SER 124 far 0 63 0 - 6.8-10.6 QD2 LEU 69 - H SER 124 far 0 92 0 - 6.8-11.0 QD2 LEU 98 - H SER 124 far 0 99 0 - 6.9-11.8 QG2 VAL 57 - H SER 124 far 0 78 0 - 7.6-11.6 QG2 VAL 63 - H SER 124 far 0 68 0 - 8.5-12.4 QD1 LEU 98 - H SER 124 far 0 78 0 - 8.8-12.4 QD2 LEU 48 - H SER 124 far 0 73 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 7767 from nnoeabs.peaks (0.93, 7.95, 113.43 ppm; 4.35 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 123 + H SER 124 OK 100 100 100 100 2.8-4.6 2.1/7765=77, 3.2/7764=71...(23) QG1 VAL 126 + H SER 124 OK 54 60 95 95 3.7-6.7 4.0/7772=52...(20) QD1 LEU 49 + H SER 124 OK 46 92 60 83 4.6-7.3 3934/7764=24...(12) QG1 VAL 118 + H SER 124 OK 25 63 80 51 5.0-7.0 10324/7758=23...(12) QD1 LEU 62 - H SER 124 far 5 93 5 - 5.5-9.8 QD1 LEU 119 - H SER 124 far 0 93 0 - 7.1-8.6 QG2 VAL 63 - H SER 124 far 0 89 0 - 8.5-12.4 QD1 LEU 48 - H SER 124 far 0 100 0 - 9.1-13.3 QD2 LEU 48 - H SER 124 far 0 85 0 - 9.5-12.6 QG1 VAL 57 - H SER 124 far 0 81 0 - 9.5-14.0 QG2 ILE 37 - H SER 124 far 0 99 0 - 9.9-17.7 Violated in 0 structures by 0.00 A. Peak 7768 from nnoeabs.peaks (4.24, 7.95, 113.43 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 124 + H SER 124 OK 100 100 100 100 2.7-2.9 2.9=100 HA SER 99 - H SER 124 far 0 76 0 - 9.0-10.6 HA HIS 67 - H SER 124 far 0 76 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 7769 from nnoeabs.peaks (4.00, 7.95, 113.43 ppm; 3.55 A): 1 out of 5 assignments used, quality = 0.98: * HB2 SER 124 + H SER 124 OK 98 100 100 98 2.8-3.3 4.0=72, 1.8/3975=70...(9) HA SER 50 - H SER 124 far 0 100 0 - 6.2-8.4 HB3 SER 99 - H SER 124 far 0 97 0 - 6.3-8.3 HA GLN 127 - H SER 124 far 0 68 0 - 7.0-7.5 HA LYS 95 - H SER 124 far 0 73 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 7770 from nnoeabs.peaks (4.03, 7.95, 113.43 ppm; 3.58 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 124 + H SER 124 OK 99 100 100 99 2.1-2.3 3975=95, 3979/3.4=42...(17) HA LEU 122 + H SER 124 OK 71 83 100 86 4.0-5.1 3.6/7761=44, 4.9/7758=26...(16) HA LEU 119 - H SER 124 far 0 100 0 - 5.3-7.0 HA LEU 96 - H SER 124 far 0 96 0 - 5.4-6.8 HB3 SER 99 - H SER 124 far 0 73 0 - 6.3-8.3 HA ALA 92 - H SER 124 far 0 87 0 - 7.7-11.0 HA LYS 95 - H SER 124 far 0 97 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 7771 from nnoeabs.peaks (8.04, 7.95, 113.43 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 125 + H SER 124 OK 100 100 100 100 2.5-2.9 3.4=100 H ALA 52 - H SER 124 far 0 92 0 - 9.2-12.3 H SER 130 - H SER 124 far 0 99 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 7772 from nnoeabs.peaks (8.29, 7.95, 113.43 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.99: * H VAL 126 + H SER 124 OK 99 100 100 99 4.1-4.6 7790=85, 7792/3.4=70...(16) H LEU 96 - H SER 124 far 0 90 0 - 7.7-9.1 H SER 99 - H SER 124 far 0 100 0 - 8.3-10.1 H LEU 49 - H SER 124 far 0 96 0 - 9.6-12.5 Violated in 15 structures by 0.15 A. Peak 7773 from nnoeabs.peaks (8.04, 8.04, 119.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 125 + H CYS 125 OK 100 100 - 100 Peak 7774 from nnoeabs.peaks (4.49, 8.04, 119.83 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 121 + H CYS 125 OK 100 100 100 100 3.6-4.9 7758/3.4=98...(9) HB THR 54 - H CYS 125 far 0 73 0 - 8.7-14.7 Violated in 0 structures by 0.00 A. Peak 7775 from nnoeabs.peaks (4.05, 8.04, 119.83 ppm; 4.38 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 122 + H CYS 125 OK 99 100 100 99 3.2-3.7 3863=38, 2.9/7786=32...(25) HA LEU 96 + H CYS 125 OK 94 99 100 96 3.6-5.7 3863=33, 3.0/10359=27...(24) HB3 SER 124 + H CYS 125 OK 82 83 100 100 2.5-3.5 4.5=91, 3975/3.4=52...(21) HA ALA 92 - H CYS 125 poor 20 100 20 - 5.3-8.5 HA LEU 119 - H CYS 125 far 0 73 0 - 7.3-8.4 HB THR 65 - H CYS 125 far 0 90 0 - 9.5-14.8 Violated in 0 structures by 0.00 A. Peak 7776 from nnoeabs.peaks (8.26, 8.04, 119.83 ppm; 4.82 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 123 + H CYS 125 OK 100 100 100 100 3.9-4.4 7761/3.4=78, 7898=41...(24) H LEU 96 + H CYS 125 OK 61 92 75 89 5.4-6.7 3984/2.9=29...(14) H ASP 131 - H CYS 125 far 0 97 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 7778 from nnoeabs.peaks (7.95, 8.04, 119.83 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + H CYS 125 OK 100 100 100 100 2.5-2.9 3.4=100 Violated in 0 structures by 0.00 A. Peak 7779 from nnoeabs.peaks (4.24, 8.04, 119.83 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 124 + H CYS 125 OK 100 100 100 100 3.5-3.6 3.6=100 HA SER 99 - H CYS 125 far 0 76 0 - 8.6-10.2 HA HIS 67 - H CYS 125 far 0 76 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 7780 from nnoeabs.peaks (4.00, 8.04, 119.83 ppm; 4.18 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 124 + H CYS 125 OK 100 100 100 100 2.5-4.1 4.5=79, 1.8/3979=78...(16) HB3 SER 99 - H CYS 125 far 0 97 0 - 5.8-7.7 HA GLN 127 - H CYS 125 far 0 68 0 - 6.6-6.9 HA LYS 95 - H CYS 125 far 0 73 0 - 7.3-8.8 HA SER 50 - H CYS 125 far 0 100 0 - 7.6-9.3 HB3 SER 94 - H CYS 125 far 0 76 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 7781 from nnoeabs.peaks (4.03, 8.04, 119.83 ppm; 4.10 A): 3 out of 7 assignments used, quality = 1.00: * HB3 SER 124 + H CYS 125 OK 100 100 100 100 2.5-3.5 3979=98, 3975/3.4=63...(23) HA LEU 96 + H CYS 125 OK 83 96 95 91 3.6-5.7 3.0/10359=24, 3863=20...(23) HA LEU 122 + H CYS 125 OK 81 83 100 97 3.2-3.7 2.9/7786=29, 3.6/7776=27...(23) HA ALA 92 - H CYS 125 far 9 87 10 - 5.3-8.5 HB3 SER 99 - H CYS 125 far 0 73 0 - 5.8-7.7 HA LYS 95 - H CYS 125 far 0 97 0 - 7.3-8.8 HA LEU 119 - H CYS 125 far 0 100 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. Peak 7782 from nnoeabs.peaks (4.35, 8.04, 119.83 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 125 + H CYS 125 OK 100 100 100 100 2.8-2.9 2.9=100 HA PRO 117 - H CYS 125 far 0 96 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 7783 from nnoeabs.peaks (2.74, 8.04, 119.83 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.99: * HB2 CYS 125 + H CYS 125 OK 99 100 100 99 2.3-3.6 3.9=86, 1.8/7784=71...(21) HB2 CYS 73 - H CYS 125 far 0 96 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 7784 from nnoeabs.peaks (3.21, 8.04, 119.83 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + H CYS 125 OK 100 100 100 100 2.3-3.6 3.9=94, 1.8/7783=78...(20) Violated in 0 structures by 0.00 A. Peak 7785 from nnoeabs.peaks (8.29, 8.04, 119.83 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 126 + H CYS 125 OK 100 100 100 100 2.6-2.9 3.6=100 H LEU 96 - H CYS 125 far 0 90 0 - 5.4-6.7 H SER 99 - H CYS 125 far 0 100 0 - 7.2-9.0 H ASP 131 - H CYS 125 far 0 83 0 - 9.1-9.8 H LEU 69 - H CYS 125 far 0 99 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 7786 from nnoeabs.peaks (8.20, 8.04, 119.83 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 127 + H CYS 125 OK 99 100 100 99 3.8-4.1 3.5/7792=64, 3965/3.6=50...(21) H LEU 122 + H CYS 125 OK 89 93 100 95 4.4-5.2 3.3/7776=28, ~7761=23...(19) Violated in 0 structures by 0.00 A. Peak 7787 from nnoeabs.peaks (8.29, 8.29, 121.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 126 + H VAL 126 OK 100 100 - 100 Peak 7788 from nnoeabs.peaks (4.05, 8.29, 121.89 ppm; 5.51 A): 4 out of 8 assignments used, quality = 1.00: * HA LEU 122 + H VAL 126 OK 100 100 100 100 3.1-4.3 4.9/3916=59...(24) HA LEU 96 + H VAL 126 OK 99 99 100 100 3.0-5.7 11689/4021=81...(31) HA ALA 92 + H VAL 126 OK 94 100 95 99 5.4-7.7 11395/4.7=55...(21) HB3 SER 124 + H VAL 126 OK 82 83 100 99 5.2-6.0 4.5/7792=80, 4.0/7772=77...(14) HA LEU 119 - H VAL 126 far 0 73 0 - 7.8-8.8 HB THR 65 - H VAL 126 far 0 90 0 - 8.3-12.8 HB3 SER 74 - H VAL 126 far 0 85 0 - 9.5-12.7 HB2 SER 74 - H VAL 126 far 0 87 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 7789 from nnoeabs.peaks (3.85, 8.29, 121.89 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 123 + H VAL 126 OK 100 100 100 100 3.4-4.2 3916=100, 3.6/7772=98...(20) HB2 SER 130 + H VAL 126 OK 49 68 95 76 6.8-8.5 11669/2.9=47...(9) HB2 SER 50 + H VAL 126 OK 32 97 55 59 7.2-9.5 7803/3.5=25...(10) HA LEU 62 - H VAL 126 far 0 100 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 7790 from nnoeabs.peaks (7.95, 8.29, 121.89 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + H VAL 126 OK 100 100 100 100 4.1-4.6 7772=100, 3.4/7792=76...(16) Violated in 8 structures by 0.02 A. Peak 7791 from nnoeabs.peaks (4.24, 8.29, 121.89 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 124 + H VAL 126 OK 100 100 100 100 4.6-5.3 3.6/7792=100...(11) HA HIS 67 - H VAL 126 far 4 76 5 - 8.0-10.7 HA SER 94 - H VAL 126 far 0 99 0 - 8.8-10.7 HA SER 99 - H VAL 126 far 0 76 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 7792 from nnoeabs.peaks (8.04, 8.29, 121.89 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.99: * H CYS 125 + H VAL 126 OK 99 100 100 99 2.6-2.9 3.6=85, 3.4/7772=37...(24) H SER 130 - H VAL 126 far 0 99 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 7793 from nnoeabs.peaks (4.35, 8.29, 121.89 ppm; 5.57 A): 1 out of 3 assignments used, quality = 1.00: * HA CYS 125 + H VAL 126 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 69 - H VAL 126 far 0 73 0 - 7.8-11.2 HA ASP 47 - H VAL 126 far 0 96 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 7794 from nnoeabs.peaks (2.74, 8.29, 121.89 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + H VAL 126 OK 100 100 100 100 2.2-3.5 4.7=100 HB2 CYS 73 - H VAL 126 far 0 96 0 - 7.0-8.8 Violated in 0 structures by 0.00 A. Peak 7795 from nnoeabs.peaks (3.21, 8.29, 121.89 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + H VAL 126 OK 100 100 100 100 2.2-3.6 4.7=99, 7784/7792=71...(24) Violated in 0 structures by 0.00 A. Peak 7796 from nnoeabs.peaks (3.43, 8.29, 121.89 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 126 + H VAL 126 OK 100 100 100 100 2.7-2.8 2.9=100 HA ILE 129 - H VAL 126 far 0 63 0 - 7.1-7.9 HB3 HIS 67 - H VAL 126 far 0 63 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 7797 from nnoeabs.peaks (2.10, 8.29, 121.89 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 126 + H VAL 126 OK 100 100 100 100 2.3-3.6 3.7=91, 2.1/4021=69...(19) HB2 GLU 128 - H VAL 126 far 0 73 0 - 5.1-7.2 HG3 GLU 91 - H VAL 126 far 0 100 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 7798 from nnoeabs.peaks (0.96, 8.29, 121.89 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 126 + H VAL 126 OK 100 100 100 100 1.8-3.8 4.0=75, 2.1/4021=69...(24) QG2 VAL 126 + H VAL 126 OK 99 99 100 100 1.8-3.8 4021=90, 2.1/7797=67...(24) QD1 LEU 123 - H VAL 126 far 3 60 5 - 4.7-6.9 QD2 LEU 53 - H VAL 126 far 0 97 0 - 5.7-9.0 QG2 ILE 37 - H VAL 126 far 0 81 0 - 7.9-14.5 QD1 LEU 119 - H VAL 126 far 0 92 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 7799 from nnoeabs.peaks (0.96, 8.29, 121.89 ppm; 3.55 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 126 + H VAL 126 OK 100 100 100 100 1.8-3.8 4021=91, 2.1/7797=65...(24) QG1 VAL 126 + H VAL 126 OK 99 99 100 100 1.8-3.8 4.0=71, 2.1/4021=67...(23) QD2 LEU 53 - H VAL 126 far 0 100 0 - 5.7-9.0 QG2 ILE 37 - H VAL 126 far 0 63 0 - 7.9-14.5 QD1 LEU 119 - H VAL 126 far 0 78 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 7800 from nnoeabs.peaks (8.20, 8.29, 121.89 ppm; 5.58 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 127 + H VAL 126 OK 100 100 100 100 2.7-2.9 3.5=100 H LEU 122 + H VAL 126 OK 91 93 100 98 5.4-6.4 11749/4.0=44...(16) Violated in 0 structures by 0.00 A. Peak 7801 from nnoeabs.peaks (7.88, 8.29, 121.89 ppm; 6.67 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + H VAL 126 OK 100 100 100 100 4.1-4.6 7839/3.6=98...(14) H GLN 68 - H VAL 126 far 0 81 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 7802 from nnoeabs.peaks (8.20, 8.20, 119.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 127 + H GLN 127 OK 100 100 - 100 Peak 7803 from nnoeabs.peaks (3.85, 8.20, 119.68 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 123 + H GLN 127 OK 100 100 100 100 3.2-4.7 3917/7809=96...(19) HB2 SER 50 + H GLN 127 OK 93 97 100 95 4.5-7.0 11609/4059=40...(16) HB2 SER 130 + H GLN 127 OK 68 68 100 100 5.1-6.3 ~4181=95, ~4181=89...(18) HA LEU 62 - H GLN 127 far 0 100 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 7804 from nnoeabs.peaks (4.24, 8.20, 119.68 ppm; 5.22 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 124 + H GLN 127 OK 100 100 100 100 3.5-4.2 3965=100, 3966/7813=79...(15) HA SER 51 - H GLN 127 far 0 73 0 - 9.3-11.7 HA HIS 67 - H GLN 127 far 0 76 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 7805 from nnoeabs.peaks (8.04, 8.20, 119.68 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: * H CYS 125 + H GLN 127 OK 100 100 100 100 3.8-4.1 7792/3.5=72, 3.6/3965=58...(22) H SER 130 + H GLN 127 OK 97 99 100 98 4.8-5.3 4036/2.9=65, 7879/3.2=53...(12) H ALA 52 - H GLN 127 far 0 92 0 - 8.7-11.2 H LEU 48 - H GLN 127 far 0 100 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 7807 from nnoeabs.peaks (8.29, 8.20, 119.68 ppm; 5.58 A): 2 out of 7 assignments used, quality = 1.00: * H VAL 126 + H GLN 127 OK 100 100 100 100 2.7-2.9 3.5=100 H ASP 131 + H GLN 127 OK 76 83 100 92 6.1-6.8 7896/7820=49...(9) H LEU 96 - H GLN 127 far 0 90 0 - 7.2-9.1 H LEU 49 - H GLN 127 far 0 96 0 - 7.3-9.5 H LEU 69 - H GLN 127 far 0 99 0 - 8.3-10.9 H LEU 43 - H GLN 127 far 0 100 0 - 9.8-12.3 H SER 99 - H GLN 127 far 0 100 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 7808 from nnoeabs.peaks (3.43, 8.20, 119.68 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 126 + H GLN 127 OK 100 100 100 100 3.5-3.6 3.6=100 HA ILE 129 - H GLN 127 far 6 63 10 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 7809 from nnoeabs.peaks (2.10, 8.20, 119.68 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.99: * HB VAL 126 + H GLN 127 OK 99 100 100 99 2.8-4.0 4014=65, 7797/3.5=51...(21) HB2 GLU 128 - H GLN 127 far 7 73 10 - 4.4-6.0 HG3 GLU 91 - H GLN 127 far 0 100 0 - 9.8-13.9 HG3 GLN 134 - H GLN 127 far 0 76 0 - 10.0-11.8 Violated in 9 structures by 0.05 A. Peak 7810 from nnoeabs.peaks (0.96, 8.20, 119.68 ppm; 4.17 A): 3 out of 6 assignments used, quality = 1.00: * QG1 VAL 126 + H GLN 127 OK 100 100 100 100 1.7-4.1 4.3=89, 2.1/7809=81...(27) QG2 VAL 126 + H GLN 127 OK 99 99 100 100 1.8-4.0 4.4=87, 2.1/7809=81...(30) QD1 LEU 123 + H GLN 127 OK 41 60 90 76 3.1-6.8 11638/4059=26...(14) QD2 LEU 53 - H GLN 127 far 10 97 10 - 4.2-8.3 QG2 ILE 37 - H GLN 127 far 0 81 0 - 8.1-14.1 QD1 LEU 119 - H GLN 127 far 0 92 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 7811 from nnoeabs.peaks (0.96, 8.20, 119.68 ppm; 4.34 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 126 + H GLN 127 OK 100 100 100 100 1.8-4.0 4.4=98, 2.1/7809=85...(31) QG1 VAL 126 + H GLN 127 OK 99 99 100 100 1.7-4.1 4.3=100 QD2 LEU 53 - H GLN 127 far 10 100 10 - 4.2-8.3 QG2 ILE 37 - H GLN 127 far 0 63 0 - 8.1-14.1 QD1 LEU 119 - H GLN 127 far 0 78 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 7812 from nnoeabs.peaks (3.97, 8.20, 119.68 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 127 + H GLN 127 OK 100 100 100 100 2.8-2.9 2.9=100 HA SER 50 - H GLN 127 far 10 65 15 - 4.8-7.2 HB2 SER 124 - H GLN 127 far 3 68 5 - 5.2-6.2 HA THR 65 - H GLN 127 far 0 100 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 7813 from nnoeabs.peaks (2.06, 8.20, 119.68 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 127 + H GLN 127 OK 100 100 100 100 2.3-3.6 4040=90, 1.8/4050=71...(28) HB2 GLU 128 - H GLN 127 far 7 73 10 - 4.4-6.0 HG3 GLN 134 - H GLN 127 far 0 71 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 7814 from nnoeabs.peaks (2.23, 8.20, 119.68 ppm; 3.58 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 127 + H GLN 127 OK 100 100 100 100 2.5-3.6 4050=79, 1.8/7813=68...(26) HB3 GLU 128 + H GLN 127 OK 84 100 90 94 4.4-6.0 4.5/7820=28, 7845/3.2=26...(22) HB3 LEU 96 - H GLN 127 far 0 97 0 - 5.1-7.3 HG2 GLN 68 - H GLN 127 far 0 100 0 - 9.1-15.4 HG2 GLU 91 - H GLN 127 far 0 100 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 7815 from nnoeabs.peaks (2.35, 8.20, 119.68 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 127 + H GLN 127 OK 100 100 100 100 1.8-3.0 4059=100, 1.8/4068=86...(25) HG2 GLU 128 + H GLN 127 OK 20 83 25 97 4.9-6.7 ~4110=40, ~7854=37...(17) Violated in 0 structures by 0.00 A. Peak 7816 from nnoeabs.peaks (2.49, 8.20, 119.68 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + H GLN 127 OK 100 100 100 100 1.8-3.9 4068=100, 1.8/4059=84...(24) Violated in 0 structures by 0.00 A. Peak 7819 from nnoeabs.peaks (7.88, 8.20, 119.68 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + H GLN 127 OK 100 100 100 100 2.5-2.9 3.2=100 Violated in 0 structures by 0.00 A. Peak 7820 from nnoeabs.peaks (8.00, 8.20, 119.68 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 129 + H GLN 127 OK 100 100 100 100 3.9-4.2 7860=83, 7855/3.2=75...(18) H SER 51 - H GLN 127 far 0 85 0 - 8.1-10.1 H ALA 52 - H GLN 127 far 0 68 0 - 8.7-11.2 H SER 94 - H GLN 127 far 0 97 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 7821 from nnoeabs.peaks (6.82, 6.82, 112.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HE21 GLN 127 OK 100 100 - 100 Peak 7823 from nnoeabs.peaks (3.97, 6.82, 112.36 ppm; 5.23 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 127 + HE21 GLN 127 OK 99 100 100 99 2.9-6.0 5.6=81, 4060/3.5=65...(9) HA SER 50 + HE21 GLN 127 OK 61 65 100 93 1.8-4.9 7831/1.7=34, 4060/3.5=30...(12) HB2 SER 124 - HE21 GLN 127 poor 14 68 20 - 5.0-10.3 HB2 SER 51 - HE21 GLN 127 far 7 65 10 - 6.3-10.1 HB3 SER 51 - HE21 GLN 127 far 5 96 5 - 6.7-9.2 HA THR 65 - HE21 GLN 127 far 0 100 0 - 7.5-15.0 Violated in 0 structures by 0.00 A. Peak 7824 from nnoeabs.peaks (2.06, 6.82, 112.36 ppm; 6.14 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.2-5.4 4.5=100 HB2 GLU 128 - HE21 GLN 127 far 7 73 10 - 5.4-10.5 HB2 LEU 62 - HE21 GLN 127 far 0 100 0 - 7.8-14.6 HB3 GLU 55 - HE21 GLN 127 far 0 92 0 - 8.2-14.8 HB3 GLN 27 - HE21 GLN 127 far 0 100 0 - 8.3-29.7 HB3 GLU 44 - HE21 GLN 127 far 0 81 0 - 8.7-14.5 HG3 GLN 134 - HE21 GLN 127 far 0 71 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 7825 from nnoeabs.peaks (2.23, 6.82, 112.36 ppm; 5.29 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.3-5.3 4.5=100 HB3 GLU 128 - HE21 GLN 127 far 5 100 5 - 5.1-10.0 HG2 GLN 68 - HE21 GLN 127 far 0 100 0 - 7.7-17.8 HB3 LEU 96 - HE21 GLN 127 far 0 97 0 - 8.0-12.4 HB2 GLN 68 - HE21 GLN 127 far 0 99 0 - 10.0-18.3 Violated in 0 structures by 0.00 A. Peak 7826 from nnoeabs.peaks (2.35, 6.82, 112.36 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 GLU 128 - HE21 GLN 127 far 0 83 0 - 6.3-10.4 HG3 GLN 27 - HE21 GLN 127 far 0 100 0 - 8.2-29.0 HG2 GLU 44 - HE21 GLN 127 far 0 89 0 - 8.5-14.9 HG2 GLN 27 - HE21 GLN 127 far 0 100 0 - 9.9-30.3 Violated in 13 structures by 0.22 A. Peak 7827 from nnoeabs.peaks (2.49, 6.82, 112.36 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 127 + HE21 GLN 127 OK 100 100 100 100 3.5-4.1 3.5=100 HG2 GLU 55 - HE21 GLN 127 far 0 81 0 - 7.0-12.4 HG3 GLU 44 - HE21 GLN 127 far 0 76 0 - 8.9-16.0 Violated in 8 structures by 0.08 A. Peak 7828 from nnoeabs.peaks (7.48, 6.82, 112.36 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 127 + HE21 GLN 127 OK 100 100 100 100 1.7-1.7 1.7=100 H LEU 42 - HE21 GLN 127 far 0 98 0 - 9.2-16.8 H GLN 134 - HE21 GLN 127 far 0 98 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 7829 from nnoeabs.peaks (7.48, 7.48, 112.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 127 + HE22 GLN 127 OK 100 100 - 100 Peak 7831 from nnoeabs.peaks (3.97, 7.48, 112.36 ppm; 4.75 A): 2 out of 6 assignments used, quality = 0.99: * HA GLN 127 + HE22 GLN 127 OK 98 100 100 98 2.0-5.0 3.8/7834=77, 5.6=61...(9) HA SER 50 + HE22 GLN 127 OK 59 65 100 90 1.8-5.0 4060/7834=28...(11) HB2 SER 124 - HE22 GLN 127 far 10 68 15 - 5.6-9.3 HB3 SER 51 - HE22 GLN 127 far 0 96 0 - 6.7-10.0 HB2 SER 51 - HE22 GLN 127 far 0 65 0 - 7.0-10.8 HA THR 65 - HE22 GLN 127 far 0 100 0 - 8.6-14.3 Violated in 0 structures by 0.00 A. Peak 7832 from nnoeabs.peaks (2.06, 7.48, 112.36 ppm; 4.89 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 127 + HE22 GLN 127 OK 100 100 100 100 1.9-4.6 4.5=100 HB2 GLU 128 - HE22 GLN 127 far 7 73 10 - 6.2-9.9 HB2 LEU 62 - HE22 GLN 127 far 0 100 0 - 7.9-14.5 HG3 GLN 134 - HE22 GLN 127 far 0 71 0 - 7.9-13.7 HB3 GLU 55 - HE22 GLN 127 far 0 92 0 - 8.9-14.6 HB3 GLU 44 - HE22 GLN 127 far 0 81 0 - 9.7-14.3 HB3 GLN 27 - HE22 GLN 127 far 0 100 0 - 9.8-29.6 Violated in 0 structures by 0.00 A. Peak 7833 from nnoeabs.peaks (2.23, 7.48, 112.36 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 127 + HE22 GLN 127 OK 100 100 100 100 1.9-4.4 4.5=100 HB3 GLU 128 - HE22 GLN 127 far 10 100 10 - 5.5-9.1 HB3 LEU 96 - HE22 GLN 127 far 0 97 0 - 6.6-12.0 HG2 GLN 68 - HE22 GLN 127 far 0 100 0 - 8.7-17.2 Violated in 0 structures by 0.00 A. Peak 7834 from nnoeabs.peaks (2.35, 7.48, 112.36 ppm; 3.33 A): 1 out of 5 assignments used, quality = 0.95: * HG2 GLN 127 + HE22 GLN 127 OK 95 100 100 95 2.1-3.6 3.5=85, 4062/4.5=34...(9) HG2 GLU 128 - HE22 GLN 127 far 0 83 0 - 6.7-9.8 HB3 GLN 134 - HE22 GLN 127 far 0 71 0 - 9.7-15.8 HG2 GLU 44 - HE22 GLN 127 far 0 89 0 - 9.7-15.5 HG3 GLN 27 - HE22 GLN 127 far 0 100 0 - 9.8-28.7 Violated in 9 structures by 0.09 A. Peak 7835 from nnoeabs.peaks (2.49, 7.48, 112.36 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 127 + HE22 GLN 127 OK 100 100 100 100 2.3-3.6 3.5=100 HG2 GLU 55 - HE22 GLN 127 far 0 81 0 - 7.7-12.9 Violated in 4 structures by 0.00 A. Peak 7836 from nnoeabs.peaks (6.82, 7.48, 112.36 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 127 + HE22 GLN 127 OK 100 100 100 100 1.7-1.7 1.7=100 QE TYR 72 - HE22 GLN 127 far 0 95 0 - 7.9-14.9 Violated in 0 structures by 0.00 A. Peak 7837 from nnoeabs.peaks (7.88, 7.88, 119.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + H GLU 128 OK 100 100 - 100 Peak 7838 from nnoeabs.peaks (4.24, 7.88, 119.85 ppm; 5.57 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 124 + H GLU 128 OK 100 100 100 100 3.5-4.5 3965/3.2=86...(13) HA SER 51 - H GLU 128 far 0 73 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 7839 from nnoeabs.peaks (4.35, 7.88, 119.85 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 125 + H GLU 128 OK 100 100 100 100 3.4-3.8 3985=73, 3986/3.6=57...(21) HA ASP 47 - H GLU 128 far 0 96 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 7840 from nnoeabs.peaks (8.29, 7.88, 119.85 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 126 + H GLU 128 OK 99 100 100 99 4.1-4.6 3.6/7839=67...(13) H ASP 131 + H GLU 128 OK 80 83 100 97 4.8-5.1 4084/2.9=53, 4.5/7879=47...(12) H LEU 96 - H GLU 128 far 0 90 0 - 7.6-9.1 H LEU 49 - H GLU 128 far 0 96 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 7841 from nnoeabs.peaks (3.43, 7.88, 119.85 ppm; 6.11 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 126 + H GLU 128 OK 100 100 100 100 4.4-4.9 11598=100, 4006/7855=84...(21) HA ILE 129 + H GLU 128 OK 63 63 100 100 5.2-5.4 2.9/7855=99, 3.6/7879=85...(13) Violated in 0 structures by 0.00 A. Peak 7842 from nnoeabs.peaks (8.20, 7.88, 119.85 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + H GLU 128 OK 100 100 100 100 2.5-2.9 3.2=100 H LEU 122 - H GLU 128 far 0 93 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 7843 from nnoeabs.peaks (3.97, 7.88, 119.85 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 127 + H GLU 128 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 124 + H GLU 128 OK 45 68 75 87 5.0-6.2 3.0/7838=40, ~3965=27...(10) HA SER 50 - H GLU 128 far 0 65 0 - 6.1-9.2 Violated in 0 structures by 0.00 A. Peak 7844 from nnoeabs.peaks (2.06, 7.88, 119.85 ppm; 3.57 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 127 + H GLU 128 OK 100 100 100 100 2.4-3.7 1.8/4058=54, 4048=49...(31) HB2 GLU 128 + H GLU 128 OK 73 73 100 100 2.1-3.5 3.6=97, 3.0/4110=49...(16) HG3 GLN 134 - H GLU 128 far 0 71 0 - 8.9-10.6 HB3 GLU 91 - H GLU 128 far 0 73 0 - 9.1-13.6 HG3 ARG 135 - H GLU 128 far 0 73 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 7845 from nnoeabs.peaks (2.23, 7.88, 119.85 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 128 + H GLU 128 OK 100 100 100 100 2.1-3.5 3.6=98, 3.0/4110=49...(25) * HB3 GLN 127 + H GLU 128 OK 100 100 100 100 2.5-4.1 4058=59, 4050/3.2=47...(22) HB3 LEU 96 - H GLU 128 far 0 97 0 - 6.0-8.8 HG2 GLU 91 - H GLU 128 far 0 100 0 - 8.4-12.8 Violated in 0 structures by 0.00 A. Peak 7846 from nnoeabs.peaks (2.35, 7.88, 119.85 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 127 + H GLU 128 OK 100 100 100 100 3.0-4.5 4059/3.2=65...(23) HG2 GLU 128 + H GLU 128 OK 83 83 100 100 3.1-3.9 1.8/4110=83, 4.6=76...(18) Violated in 0 structures by 0.00 A. Peak 7847 from nnoeabs.peaks (2.49, 7.88, 119.85 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + H GLU 128 OK 100 100 100 100 1.9-5.1 4076=100, 4068/3.2=100...(22) Violated in 0 structures by 0.00 A. Peak 7850 from nnoeabs.peaks (4.20, 7.88, 119.85 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 128 + H GLU 128 OK 100 100 100 100 2.7-2.8 2.9=100 HA ALA 88 - H GLU 128 far 0 99 0 - 9.1-12.0 HA LEU 53 - H GLU 128 far 0 87 0 - 9.1-14.1 HA SER 51 - H GLU 128 far 0 83 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 7851 from nnoeabs.peaks (2.08, 7.88, 119.85 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 128 + H GLU 128 OK 100 100 100 100 2.1-3.5 3.6=100 HB2 GLN 127 + H GLU 128 OK 73 73 100 100 2.4-3.7 1.8/4058=55, 4.7=47...(28) HB VAL 126 - H GLU 128 far 0 73 0 - 5.3-6.2 HG3 GLU 91 - H GLU 128 far 0 63 0 - 7.9-12.3 HG3 GLN 134 - H GLU 128 far 0 100 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 7852 from nnoeabs.peaks (2.22, 7.88, 119.85 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + H GLU 128 OK 100 100 100 100 2.1-3.5 3.6=98, 3.0/4110=49...(26) HB3 GLN 127 + H GLU 128 OK 100 100 100 100 2.5-4.1 4058=59, 4050/3.2=47...(22) HB3 LEU 96 - H GLU 128 far 0 97 0 - 6.0-8.8 HG2 GLU 91 - H GLU 128 far 0 100 0 - 8.4-12.8 Violated in 0 structures by 0.00 A. Peak 7853 from nnoeabs.peaks (2.37, 7.88, 119.85 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + H GLU 128 OK 100 100 100 100 3.1-3.9 1.8/4110=85, 4.6=80...(20) HG2 GLN 127 + H GLU 128 OK 83 83 100 100 3.0-4.5 3.0/4058=61, 1.8/4076=51...(23) Violated in 0 structures by 0.00 A. Peak 7854 from nnoeabs.peaks (2.42, 7.88, 119.85 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 128 + H GLU 128 OK 100 100 100 100 3.1-4.5 4110=100, 4111/2.9=74...(18) Violated in 7 structures by 0.01 A. Peak 7855 from nnoeabs.peaks (8.00, 7.88, 119.85 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 129 + H GLU 128 OK 100 100 100 100 2.6-2.9 7862=93, 4094/3.6=44...(20) H SER 51 - H GLU 128 far 0 85 0 - 9.2-11.9 H SER 94 - H GLU 128 far 0 97 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 7856 from nnoeabs.peaks (8.04, 7.88, 119.85 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * H SER 130 + H GLU 128 OK 97 100 100 97 4.4-4.7 7879=53, 3.6/7862=49...(14) H CYS 125 + H GLU 128 OK 95 99 100 96 4.4-5.0 2.9/7839=56, 3.6/7838=30...(15) Violated in 20 structures by 0.19 A. Peak 7857 from nnoeabs.peaks (8.00, 8.00, 119.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 129 + H ILE 129 OK 100 100 - 100 Peak 7858 from nnoeabs.peaks (4.35, 8.00, 119.54 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA CYS 125 + H ILE 129 OK 100 100 100 100 4.1-4.8 7839/7855=97...(23) HA ASP 47 - H ILE 129 far 14 96 15 - 8.1-10.7 HA LEU 69 - H ILE 129 far 0 73 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 7859 from nnoeabs.peaks (3.43, 8.00, 119.54 ppm; 4.29 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 126 + H ILE 129 OK 100 100 100 100 3.4-3.8 4006=80, 10402/7873=57...(24) HA ILE 129 + H ILE 129 OK 63 63 100 100 2.8-2.9 2.9=100 HA VAL 77 - H ILE 129 far 0 93 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 7860 from nnoeabs.peaks (8.20, 8.00, 119.54 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 127 + H ILE 129 OK 100 100 100 100 3.9-4.2 7820=100, 3.2/7855=81...(19) Violated in 0 structures by 0.00 A. Peak 7861 from nnoeabs.peaks (3.97, 8.00, 119.54 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 127 + H ILE 129 OK 100 100 100 100 4.0-4.4 3.6/7855=99, 2.9/7820=99...(17) HB2 SER 124 + H ILE 129 OK 35 68 75 69 7.0-8.7 4.5/7874=38...(5) HA SER 50 - H ILE 129 far 7 65 10 - 8.2-11.0 HA GLU 91 - H ILE 129 far 0 97 0 - 9.3-11.1 HB3 SER 94 - H ILE 129 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7862 from nnoeabs.peaks (7.88, 8.00, 119.54 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + H ILE 129 OK 100 100 100 100 2.6-2.9 7855=100, 3.6/4094=47...(21) H ALA 88 - H ILE 129 far 0 65 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 7863 from nnoeabs.peaks (4.20, 8.00, 119.54 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + H ILE 129 OK 100 100 100 100 3.5-3.5 3.6=100 HA ALA 88 - H ILE 129 far 0 99 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 7864 from nnoeabs.peaks (2.08, 8.00, 119.54 ppm; 4.09 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLU 128 + H ILE 129 OK 100 100 100 100 2.8-4.2 4094=86, 3.6/7855=56...(16) HB2 GLN 127 + H ILE 129 OK 68 73 100 93 4.7-5.5 4.7/7855=43, 4.0/7820=42...(15) HB VAL 126 + H ILE 129 OK 27 73 40 92 5.2-6.1 3.0/4006=51, 4.6/7820=36...(9) HG3 GLU 91 - H ILE 129 far 0 63 0 - 7.1-10.9 HG3 GLN 134 - H ILE 129 far 0 100 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 7865 from nnoeabs.peaks (2.22, 8.00, 119.54 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + H ILE 129 OK 100 100 100 100 3.1-4.2 4.5=95, 1.8/4094=81...(25) HB3 GLN 127 + H ILE 129 OK 95 100 100 95 4.9-5.9 4058/7855=55...(9) HB3 LEU 96 - H ILE 129 poor 19 97 20 - 5.3-8.3 HG2 GLU 91 - H ILE 129 far 0 100 0 - 7.8-11.1 Violated in 0 structures by 0.00 A. Peak 7866 from nnoeabs.peaks (2.37, 8.00, 119.54 ppm; 6.14 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + H ILE 129 OK 100 100 100 100 2.3-5.2 4109=100, 1.8/4116=100...(21) HG2 GLN 127 + H ILE 129 OK 81 83 100 98 5.4-6.4 4.8/7820=74, 3.0/7865=46...(8) Violated in 0 structures by 0.00 A. Peak 7867 from nnoeabs.peaks (2.42, 8.00, 119.54 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 128 + H ILE 129 OK 100 100 100 100 3.1-5.2 4116=100, 1.8/4109=100...(18) Violated in 0 structures by 0.00 A. Peak 7868 from nnoeabs.peaks (3.46, 8.00, 119.54 ppm; 4.31 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + H ILE 129 OK 100 100 100 100 2.8-2.9 2.9=100 HA VAL 126 + H ILE 129 OK 62 63 100 99 3.4-3.8 3.6/7820=50, 4006=40...(23) HA LEU 42 - H ILE 129 far 0 93 0 - 8.9-11.0 HA VAL 77 - H ILE 129 far 0 93 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 7869 from nnoeabs.peaks (2.00, 8.00, 119.54 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 129 + H ILE 129 OK 100 100 100 100 2.2-2.7 3.8=96, 2.9/7872=51...(20) HB2 GLU 91 - H ILE 129 far 0 99 0 - 8.0-10.4 Violated in 0 structures by 0.00 A. Peak 7870 from nnoeabs.peaks (0.82, 8.00, 119.54 ppm; 3.84 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + H ILE 129 OK 100 100 100 100 3.6-3.8 4.0=87, 2.1/7869=72...(26) QG1 VAL 133 + H ILE 129 OK 38 92 45 92 4.9-5.7 11768/7872=37...(15) QD2 LEU 49 - H ILE 129 far 0 71 0 - 6.5-8.0 QD1 LEU 70 - H ILE 129 far 0 100 0 - 6.6-10.6 QD1 LEU 122 - H ILE 129 far 0 92 0 - 6.7-9.5 QD1 LEU 53 - H ILE 129 far 0 63 0 - 7.0-9.7 QG2 ILE 80 - H ILE 129 far 0 99 0 - 7.8-11.3 HG13 ILE 80 - H ILE 129 far 0 100 0 - 9.4-13.3 Violated in 0 structures by 0.00 A. Peak 7871 from nnoeabs.peaks (0.75, 8.00, 119.54 ppm; 4.09 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 129 + H ILE 129 OK 100 100 100 100 1.9-4.0 1.8/7872=77, 2.1/7873=76...(17) QD2 LEU 96 + H ILE 129 OK 38 100 45 84 4.0-7.6 11807/4006=33...(14) QD1 LEU 96 + H ILE 129 OK 27 78 50 70 4.8-7.6 11452/4006=19...(15) QG1 VAL 93 - H ILE 129 far 0 100 0 - 5.6-8.0 QD2 LEU 43 - H ILE 129 far 0 100 0 - 6.2-7.6 QD1 ILE 37 - H ILE 129 far 0 60 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 7872 from nnoeabs.peaks (1.74, 8.00, 119.54 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 129 + H ILE 129 OK 100 100 100 100 2.1-4.1 2.1/7873=75, 2.9/7869=67...(16) HB2 LEU 43 - H ILE 129 far 0 89 0 - 8.8-11.5 HG3 ARG 90 - H ILE 129 far 0 96 0 - 9.8-11.4 Violated in 2 structures by 0.01 A. Peak 7873 from nnoeabs.peaks (0.64, 8.00, 119.54 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + H ILE 129 OK 100 100 100 100 1.7-3.4 2.1/7872=66, 4163/4.0=59...(26) QD1 LEU 42 - H ILE 129 far 0 99 0 - 5.8-8.9 Violated in 0 structures by 0.00 A. Peak 7874 from nnoeabs.peaks (8.04, 8.00, 119.54 ppm; 5.58 A): 2 out of 2 assignments used, quality = 1.00: * H SER 130 + H ILE 129 OK 100 100 100 100 2.6-2.9 3.6=100 H CYS 125 + H ILE 129 OK 97 99 100 99 5.9-6.6 2.9/7858=51...(16) Violated in 0 structures by 0.00 A. Peak 7875 from nnoeabs.peaks (8.27, 8.00, 119.54 ppm; 5.19 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 131 + H ILE 129 OK 100 100 100 100 3.7-4.1 7896=100, 7891/3.6=83...(21) H VAL 126 + H ILE 129 OK 83 83 100 100 4.7-5.3 2.9/4006=79, 3.5/7820=71...(18) H LEU 96 - H ILE 129 far 0 100 0 - 6.9-8.5 H LEU 123 - H ILE 129 far 0 97 0 - 9.0-9.7 H LEU 43 - H ILE 129 far 0 89 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 7876 from nnoeabs.peaks (8.04, 8.04, 112.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 130 + H SER 130 OK 100 100 - 100 Peak 7877 from nnoeabs.peaks (3.43, 8.04, 112.76 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 126 + H SER 130 OK 100 100 100 100 3.8-5.0 4007/7883=75...(18) HA ILE 129 + H SER 130 OK 63 63 100 100 3.6-3.6 3.6=100 HA VAL 77 - H SER 130 far 0 93 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 7878 from nnoeabs.peaks (3.97, 8.04, 112.76 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 127 + H SER 130 OK 100 100 100 100 3.3-3.8 4036=100, 4181/3.9=63...(15) HA SER 50 - H SER 130 far 0 65 0 - 7.8-10.8 HB2 SER 124 - H SER 130 far 0 68 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 7879 from nnoeabs.peaks (7.88, 8.04, 112.76 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + H SER 130 OK 100 100 100 100 4.4-4.7 7855/3.6=73, 3.6/4036=67...(14) Violated in 0 structures by 0.00 A. Peak 7880 from nnoeabs.peaks (4.20, 8.04, 112.76 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + H SER 130 OK 100 100 100 100 4.3-5.0 2.9/7879=98...(11) HA ALA 88 - H SER 130 far 0 99 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 7881 from nnoeabs.peaks (8.00, 8.04, 112.76 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + H SER 130 OK 100 100 100 100 2.6-2.9 3.6=100 H SER 51 - H SER 130 far 0 85 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 7882 from nnoeabs.peaks (3.46, 8.04, 112.76 ppm; 4.75 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + H SER 130 OK 100 100 100 100 3.6-3.6 3.6=100 HA VAL 126 + H SER 130 OK 62 63 100 99 3.8-5.0 4.8/4036=50...(17) HA LEU 42 - H SER 130 far 0 93 0 - 6.6-8.5 HA VAL 77 - H SER 130 far 0 93 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 7883 from nnoeabs.peaks (2.00, 8.04, 112.76 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 129 + H SER 130 OK 100 100 100 100 2.2-2.6 2.1/4143=62, 4135=62...(23) HB2 GLN 134 - H SER 130 far 0 87 0 - 8.4-9.3 HG2 PRO 81 - H SER 130 far 0 100 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 7884 from nnoeabs.peaks (0.82, 8.04, 112.76 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + H SER 130 OK 100 100 100 100 2.6-3.5 4143=76, 2.1/7883=67...(24) QG1 VAL 133 + H SER 130 OK 91 92 100 99 3.4-4.0 2.1/10562=50...(28) QD2 LEU 49 - H SER 130 far 0 71 0 - 5.8-7.4 QD1 LEU 70 - H SER 130 far 0 100 0 - 6.6-10.9 QG2 ILE 80 - H SER 130 far 0 99 0 - 7.1-11.1 QD1 LEU 122 - H SER 130 far 0 92 0 - 7.2-10.3 QD1 LEU 53 - H SER 130 far 0 63 0 - 7.4-10.1 HG13 ILE 80 - H SER 130 far 0 100 0 - 8.5-12.6 Violated in 0 structures by 0.00 A. Peak 7885 from nnoeabs.peaks (0.75, 8.04, 112.76 ppm; 4.28 A): 3 out of 7 assignments used, quality = 1.00: QD2 LEU 43 + H SER 130 OK 100 100 100 100 4.2-5.3 11747/2.9=69, 11091=65...(23) * HG12 ILE 129 + H SER 130 OK 99 100 100 99 4.0-5.1 2.9/7883=71, 3.2/4143=62...(14) QD2 LEU 96 + H SER 130 OK 25 100 40 63 5.1-8.8 11807/7877=20...(8) QD1 LEU 96 - H SER 130 poor 20 78 25 - 5.2-8.4 QG1 VAL 93 - H SER 130 far 0 100 0 - 6.3-8.5 QD1 ILE 37 - H SER 130 far 0 60 0 - 7.8-12.5 QD1 ILE 32 - H SER 130 far 0 65 0 - 9.0-15.8 Violated in 0 structures by 0.00 A. Peak 7886 from nnoeabs.peaks (1.74, 8.04, 112.76 ppm; 5.72 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + H SER 130 OK 100 100 100 100 4.1-5.1 4159=100, 2.9/7883=97...(17) HB2 LEU 43 + H SER 130 OK 53 89 60 100 6.0-8.7 3.2/11091=81, ~11747=58...(18) HB2 LYS 39 - H SER 130 far 0 89 0 - 9.0-13.4 HB ILE 80 - H SER 130 far 0 99 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 7887 from nnoeabs.peaks (0.64, 8.04, 112.76 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + H SER 130 OK 100 100 100 100 3.4-4.4 4163/4143=72...(23) QD1 LEU 42 + H SER 130 OK 48 99 50 96 4.0-7.6 11774/10562=58...(14) Violated in 0 structures by 0.00 A. Peak 7888 from nnoeabs.peaks (3.78, 8.04, 112.76 ppm; 3.73 A): 3 out of 5 assignments used, quality = 1.00: * HA SER 130 + H SER 130 OK 100 100 100 100 2.7-2.8 2.9=100 HB3 SER 130 + H SER 130 OK 98 99 100 100 2.4-3.5 3.9=85, 1.8/4176=70...(20) HA LEU 43 + H SER 130 OK 30 100 35 86 4.9-5.9 1345/11091=33...(17) HA VAL 133 - H SER 130 far 0 92 0 - 7.0-7.6 HA ARG 90 - H SER 130 far 0 96 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 7889 from nnoeabs.peaks (3.82, 8.04, 112.76 ppm; 3.72 A): 1 out of 6 assignments used, quality = 0.99: * HB2 SER 130 + H SER 130 OK 99 100 100 99 2.1-2.7 4176=89, 4.6/7891=36...(13) HB2 SER 50 - H SER 130 far 0 90 0 - 5.9-9.8 HA LEU 123 - H SER 130 far 0 68 0 - 7.7-9.2 HD2 PRO 81 - H SER 130 far 0 57 0 - 9.0-11.7 HA ARG 90 - H SER 130 far 0 63 0 - 9.2-10.5 HA GLU 40 - H SER 130 far 0 83 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 7890 from nnoeabs.peaks (3.77, 8.04, 112.76 ppm; 3.70 A): 3 out of 5 assignments used, quality = 1.00: * HB3 SER 130 + H SER 130 OK 100 100 100 100 2.4-3.5 3.9=83, 1.8/4176=69...(20) HA SER 130 + H SER 130 OK 99 99 100 100 2.7-2.8 2.9=100 HA LEU 43 + H SER 130 OK 25 99 30 85 4.9-5.9 1345/11091=32...(17) HA VAL 133 - H SER 130 far 0 99 0 - 7.0-7.6 HA ARG 90 - H SER 130 far 0 83 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 7891 from nnoeabs.peaks (8.27, 8.04, 112.76 ppm; 3.71 A): 1 out of 5 assignments used, quality = 0.99: * H ASP 131 + H SER 130 OK 99 100 100 99 2.5-2.8 4.5=55, 3.3/7910=38...(26) H VAL 126 - H SER 130 far 0 83 0 - 6.0-6.9 H LEU 43 - H SER 130 far 0 89 0 - 6.6-8.4 H LEU 96 - H SER 130 far 0 100 0 - 8.9-10.7 H LEU 69 - H SER 130 far 0 63 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 7892 from nnoeabs.peaks (8.47, 8.04, 112.76 ppm; 5.97 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 132 + H SER 130 OK 100 100 100 100 4.1-4.3 7910=100, 3.3/7891=97...(17) H ASP 47 + H SER 130 OK 44 92 55 87 6.2-8.7 3.7/10498=72...(7) H LEU 70 - H SER 130 far 0 99 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 7893 from nnoeabs.peaks (8.27, 8.27, 119.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H ASP 131 + H ASP 131 OK 100 100 - 100 H GLU 30 + H GLU 30 OK 91 91 - 100 H LEU 123 + H LEU 123 OK 81 81 - 100 Peak 7894 from nnoeabs.peaks (3.97, 8.27, 119.63 ppm; 4.76 A): 2 out of 20 assignments used, quality = 0.99: * HA GLN 127 + H ASP 131 OK 98 100 100 98 4.2-5.1 4036/7891=64...(10) HB2 SER 124 + H LEU 123 OK 46 53 100 87 5.3-5.9 4.0/7761=64, 4.5/7776=28...(8) HA THR 65 - H GLU 30 poor 19 94 20 - 4.9-17.3 HB3 SER 106 - H GLU 30 far 4 90 5 - 5.6-27.5 HB3 SER 107 - H GLU 30 lone 0 90 25 1 5.3-22.4 HA LEU 100 - H LEU 123 far 0 84 0 - 6.3-7.3 HA SER 50 - H LEU 123 far 0 51 0 - 6.4-8.7 HB2 SER 106 - H GLU 30 far 0 93 0 - 6.6-27.3 HA VAL 20 - H GLU 30 far 0 71 0 - 6.8-18.4 HA GLN 68 - H GLU 30 far 0 64 0 - 7.1-14.2 HA3 GLY 17 - H GLU 30 far 0 91 0 - 7.3-23.2 HA GLN 127 - H LEU 123 far 0 87 0 - 7.7-8.7 HB3 SER 107 - H LEU 123 far 0 83 0 - 8.3-18.3 HA2 GLY 17 - H GLU 30 far 0 91 0 - 8.3-23.6 HA THR 65 - H LEU 123 far 0 87 0 - 8.6-13.9 HA SER 50 - H ASP 131 far 0 65 0 - 8.7-11.7 HD3 PRO 117 - H LEU 123 far 0 72 0 - 8.8-11.5 HB3 SER 94 - H GLU 30 far 0 93 0 - 9.1-26.5 HB2 SER 124 - H ASP 131 far 0 68 0 - 9.7-11.1 HA3 GLY 111 - H LEU 123 far 0 58 0 - 9.9-20.8 Violated in 0 structures by 0.00 A. Peak 7895 from nnoeabs.peaks (4.20, 8.27, 119.63 ppm; 3.51 A): 2 out of 11 assignments used, quality = 0.98: * HA GLU 128 + H ASP 131 OK 96 100 100 96 3.3-3.8 4086/7904=47...(13) HA GLU 30 + H GLU 30 OK 52 52 100 100 2.8-2.9 3.0=100 HB THR 25 - H GLU 30 far 5 93 5 - 4.2-12.0 HA LEU 53 - H LEU 123 far 0 70 0 - 6.0-9.0 HA VAL 105 - H GLU 30 far 0 92 0 - 7.1-24.3 HA SER 99 - H LEU 123 far 0 64 0 - 7.2-9.5 HA HIS 67 - H LEU 123 far 0 64 0 - 7.6-11.4 HA HIS 67 - H GLU 30 far 0 71 0 - 8.0-15.0 HB THR 18 - H GLU 30 far 0 93 0 - 8.1-24.7 HA ALA 88 - H ASP 131 far 0 99 0 - 9.5-11.3 HA GLU 128 - H LEU 123 far 0 87 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 7896 from nnoeabs.peaks (8.00, 8.27, 119.63 ppm; 4.65 A): 1 out of 9 assignments used, quality = 1.00: * H ILE 129 + H ASP 131 OK 100 100 100 100 3.7-4.1 3.6/7891=72, 3.6/4084=57...(21) H ALA 16 - H GLU 30 far 0 54 0 - 6.7-24.1 H SER 94 - H GLU 30 far 0 88 0 - 8.6-24.8 H ILE 129 - H LEU 123 far 0 87 0 - 9.0-9.7 H LYS 36 - H GLU 30 far 0 92 0 - 9.0-13.6 H ALA 52 - H LEU 123 far 0 53 0 - 9.3-12.1 H VAL 57 - H LEU 123 far 0 86 0 - 9.7-12.8 H SER 51 - H LEU 123 far 0 68 0 - 9.8-12.0 H ALA 52 - H GLU 30 far 0 59 0 - 10.0-23.4 Violated in 0 structures by 0.00 A. Peak 7897 from nnoeabs.peaks (3.46, 8.27, 119.63 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 129 + H ASP 131 OK 100 100 100 100 3.7-4.0 3.6/7891=100...(22) HA VAL 126 + H ASP 131 OK 59 63 100 95 6.3-7.2 4.8/7894=56...(11) HA VAL 126 + H LEU 123 OK 49 49 100 100 7.1-7.5 ~3917=75, ~3916=72...(30) HA LEU 42 - H ASP 131 far 0 93 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 7898 from nnoeabs.peaks (8.04, 8.27, 119.63 ppm; 3.95 A): 2 out of 11 assignments used, quality = 1.00: * H SER 130 + H ASP 131 OK 100 100 100 100 2.5-2.8 7891=100, 7910/3.3=44...(26) H CYS 125 + H LEU 123 OK 80 84 100 96 3.9-4.4 3.4/7761=53, 7776=31...(23) H ALA 16 - H GLU 30 far 0 93 0 - 6.7-24.1 H VAL 20 - H GLU 30 far 0 54 0 - 7.3-20.6 H LEU 48 - H GLU 30 far 0 89 0 - 7.5-20.7 H TYR 76 - H GLU 30 far 0 91 0 - 8.1-23.0 H CYS 125 - H ASP 131 far 0 99 0 - 9.1-9.8 H ALA 52 - H LEU 123 far 0 85 0 - 9.3-12.1 H LEU 48 - H ASP 131 far 0 97 0 - 9.6-11.8 H VAL 57 - H LEU 123 far 0 46 0 - 9.7-12.8 H ALA 52 - H GLU 30 far 0 92 0 - 10.0-23.4 Violated in 0 structures by 0.00 A. Peak 7899 from nnoeabs.peaks (3.78, 8.27, 119.63 ppm; 4.06 A): 2 out of 8 assignments used, quality = 1.00: * HA SER 130 + H ASP 131 OK 100 100 100 100 3.4-3.5 3.6=100 HB3 SER 130 + H ASP 131 OK 98 99 100 99 2.9-4.0 4.6=68, 1.8/4180=58...(22) HA LEU 43 - H ASP 131 poor 17 100 25 69 5.3-6.8 1339=19, 1345/1383=17...(14) HB2 SER 99 - H LEU 123 poor 15 60 25 - 4.8-7.1 HA VAL 133 - H ASP 131 far 0 92 0 - 6.6-6.9 HA GLU 97 - H LEU 123 far 0 66 0 - 7.8-9.8 HA ARG 90 - H GLU 30 far 0 87 0 - 8.7-25.9 HA GLU 97 - H GLU 30 far 0 73 0 - 9.6-20.3 Violated in 0 structures by 0.00 A. Peak 7900 from nnoeabs.peaks (3.82, 8.27, 119.63 ppm; 3.94 A): 3 out of 13 assignments used, quality = 0.99: * HB2 SER 130 + H ASP 131 OK 97 100 100 97 3.1-4.0 4180=66, 7889/7891=53...(17) HA VAL 118 + H LEU 123 OK 57 85 80 84 3.9-6.6 7689/7704=41...(14) HA LEU 123 + H LEU 123 OK 53 53 100 100 2.7-2.9 2.9=100 HA LEU 62 - H LEU 123 far 0 58 0 - 6.1-10.5 HB2 SER 50 - H ASP 131 far 0 90 0 - 6.6-10.2 HB3 SER 33 - H GLU 30 far 0 49 0 - 7.0-10.9 HB2 SER 50 - H LEU 123 far 0 74 0 - 7.5-10.2 HD3 PRO 58 - H GLU 30 far 0 94 0 - 7.5-27.3 HA LEU 62 - H GLU 30 far 0 64 0 - 8.2-19.7 HA ARG 90 - H GLU 30 far 0 54 0 - 8.7-25.9 HD2 PRO 81 - H ASP 131 far 0 57 0 - 8.8-11.2 HA GLU 40 - H ASP 131 far 0 83 0 - 9.4-12.7 HA LEU 123 - H ASP 131 far 0 68 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 7901 from nnoeabs.peaks (3.77, 8.27, 119.63 ppm; 4.00 A): 2 out of 8 assignments used, quality = 1.00: HA SER 130 + H ASP 131 OK 99 99 100 100 3.4-3.5 3.6=100 * HB3 SER 130 + H ASP 131 OK 99 100 100 99 2.9-4.0 4.6=65, 1.8/4180=57...(22) HA LEU 43 - H ASP 131 poor 20 99 20 - 5.3-6.8 HB2 SER 99 - H LEU 123 poor 15 75 20 - 4.8-7.1 HA VAL 133 - H ASP 131 far 0 99 0 - 6.6-6.9 HA GLU 97 - H LEU 123 far 0 80 0 - 7.8-9.8 HA ARG 90 - H GLU 30 far 0 73 0 - 8.7-25.9 HA GLU 97 - H GLU 30 far 0 87 0 - 9.6-20.3 Violated in 0 structures by 0.00 A. Peak 7902 from nnoeabs.peaks (4.31, 8.27, 119.63 ppm; 3.72 A): 1 out of 14 assignments used, quality = 1.00: * HA ASP 131 + H ASP 131 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLN 61 - H GLU 30 far 6 57 10 - 4.1-21.8 HA THR 25 - H GLU 30 far 4 79 5 - 4.9-10.1 HA ARG 23 - H GLU 30 far 3 69 5 - 4.6-14.8 HA SER 74 - H GLU 30 far 0 79 0 - 5.3-23.6 HA LYS 24 - H GLU 30 far 0 57 0 - 5.4-12.8 HA THR 18 - H GLU 30 far 0 81 0 - 5.4-22.7 HA ALA 15 - H GLU 30 far 0 66 0 - 5.6-25.9 HA2 GLY 75 - H GLU 30 far 0 89 0 - 6.6-23.4 HA ALA 21 - H GLU 30 far 0 77 0 - 7.8-18.0 HA LEU 69 - H GLU 30 far 0 66 0 - 8.2-15.3 HA ASN 59 - H LEU 123 far 0 53 0 - 8.4-12.4 HA ALA 110 - H LEU 123 far 0 58 0 - 9.9-19.8 HA LEU 69 - H ASP 131 far 0 76 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 7903 from nnoeabs.peaks (2.77, 8.27, 119.63 ppm; 3.27 A): 1 out of 11 assignments used, quality = 0.99: * HB2 ASP 131 + H ASP 131 OK 99 100 100 99 2.3-3.3 4196=74, 1.8/7904=71...(16) HB2 ASP 64 - H GLU 30 far 4 71 5 - 4.7-19.7 HB3 ASP 64 - H GLU 30 far 2 49 5 - 4.7-19.1 HB2 ASN 121 - H LEU 123 far 0 51 0 - 5.2-5.8 HB3 ASN 120 - H LEU 123 far 0 46 0 - 5.5-6.4 HB2 ASN 120 - H LEU 123 far 0 46 0 - 5.6-6.5 HB2 CYS 73 - H ASP 131 far 0 73 0 - 7.3-10.3 HB3 ASN 13 - H GLU 30 far 0 94 0 - 8.5-28.5 HB2 CYS 73 - H GLU 30 far 0 64 0 - 8.8-21.0 HB2 TYR 76 - H ASP 131 far 0 95 0 - 9.2-13.5 HB3 ASP 35 - H GLU 30 far 0 69 0 - 9.6-14.9 Violated in 1 structures by 0.00 A. Peak 7904 from nnoeabs.peaks (2.87, 8.27, 119.63 ppm; 3.25 A): 1 out of 8 assignments used, quality = 0.99: * HB3 ASP 131 + H ASP 131 OK 99 100 100 99 2.1-2.9 4202=75, 1.8/7903=70...(16) HB3 ASP 47 - H ASP 131 far 0 76 0 - 8.0-11.0 HB2 ASN 116 - H LEU 123 far 0 75 0 - 8.5-11.2 HB3 ASN 59 - H LEU 123 far 0 83 0 - 8.6-13.0 HE2 LYS 95 - H LEU 123 far 0 77 0 - 9.0-13.2 HB3 ASP 47 - H GLU 30 far 0 66 0 - 9.4-22.8 HE3 LYS 95 - H LEU 123 far 0 77 0 - 9.4-14.2 HB3 ASN 59 - H GLU 30 far 0 90 0 - 9.9-20.7 Violated in 0 structures by 0.00 A. Peak 7905 from nnoeabs.peaks (8.47, 8.27, 119.63 ppm; 3.39 A): 1 out of 10 assignments used, quality = 1.00: * H VAL 132 + H ASP 131 OK 100 100 100 100 2.3-2.5 3.3=100 H LEU 100 - H LEU 123 far 0 75 0 - 6.0-7.3 H ASP 47 - H ASP 131 far 0 92 0 - 7.4-9.5 H ALA 12 - H GLU 30 far 0 54 0 - 7.7-29.0 H LEU 70 - H LEU 123 far 0 85 0 - 7.8-11.5 H GLU 97 - H LEU 123 far 0 49 0 - 8.3-9.5 H ASP 47 - H GLU 30 far 0 82 0 - 8.7-20.9 H GLU 97 - H GLU 30 far 0 54 0 - 9.0-21.4 H LEU 70 - H GLU 30 far 0 92 0 - 9.6-15.4 H ASN 116 - H LEU 123 far 0 53 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 7906 from nnoeabs.peaks (8.14, 8.27, 119.63 ppm; 4.51 A): 3 out of 6 assignments used, quality = 1.00: * H VAL 133 + H ASP 131 OK 100 100 100 100 3.8-4.2 7925=96, 11644/7903=48...(16) H ILE 32 + H GLU 30 OK 90 93 100 97 2.5-4.4 10829/4.0=49...(14) H ASN 121 + H LEU 123 OK 54 58 100 94 3.5-4.3 7704=59, 3.6/11560=58...(19) H ALA 15 - H GLU 30 far 5 93 5 - 6.0-25.0 H ASP 71 - H GLU 30 far 0 91 0 - 8.3-17.0 H LEU 22 - H GLU 30 far 0 93 0 - 8.7-17.1 Violated in 0 structures by 0.00 A. Peak 7907 from nnoeabs.peaks (8.47, 8.47, 118.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H VAL 132 + H VAL 132 OK 100 100 - 100 H SER 9 + H SER 9 OK 60 60 - 100 Peak 7908 from nnoeabs.peaks (4.20, 8.47, 118.09 ppm; 4.98 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 128 + H VAL 132 OK 100 100 100 100 4.2-4.8 4195/7914=77...(13) HA ALA 88 - H VAL 132 far 0 99 0 - 8.0-9.4 HA SER 51 - H SER 9 far 0 54 0 - 8.1-51.8 HB THR 25 - H SER 9 far 0 72 0 - 9.4-32.5 Violated in 0 structures by 0.00 A. Peak 7909 from nnoeabs.peaks (3.46, 8.47, 118.09 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 129 + H VAL 132 OK 100 100 100 100 3.0-3.5 4125=99, 4126/7917=70...(30) HA VAL 126 - H VAL 132 far 0 63 0 - 7.4-8.4 HA VAL 77 - H VAL 132 far 0 93 0 - 8.7-10.4 HA LEU 42 - H VAL 132 far 0 93 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 7910 from nnoeabs.peaks (8.04, 8.47, 118.09 ppm; 4.68 A): 1 out of 6 assignments used, quality = 1.00: * H SER 130 + H VAL 132 OK 100 100 100 100 4.1-4.3 7891/3.3=78, 3.6/7909=54...(17) H LEU 48 - H SER 9 far 0 68 0 - 7.2-48.2 H ALA 52 - H SER 9 far 0 71 0 - 8.7-48.3 H TYR 76 - H SER 9 far 0 70 0 - 9.4-45.4 H VAL 20 - H SER 9 far 0 39 0 - 9.9-24.2 H CYS 79 - H SER 9 far 0 70 0 - 9.9-49.5 Violated in 0 structures by 0.00 A. Peak 7912 from nnoeabs.peaks (8.27, 8.47, 118.09 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 131 + H VAL 132 OK 100 100 100 100 2.3-2.5 3.3=100 H LEU 43 - H VAL 132 far 0 89 0 - 8.1-10.4 H VAL 126 - H VAL 132 far 0 83 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 7913 from nnoeabs.peaks (4.31, 8.47, 118.09 ppm; 4.77 A): 1 out of 8 assignments used, quality = 1.00: * HA ASP 131 + H VAL 132 OK 100 100 100 100 3.5-3.5 3.6=100 HA LYS 24 - H SER 9 far 2 41 5 - 6.2-27.1 HA2 GLY 75 - H SER 9 far 0 68 0 - 6.8-45.3 HA THR 25 - H SER 9 far 0 59 0 - 7.9-31.0 HA ALA 12 - H SER 9 far 0 48 0 - 7.9-12.3 HA SER 74 - H SER 9 far 0 59 0 - 9.3-49.5 HA TYR 76 - H SER 9 far 0 72 0 - 9.9-46.7 HA PRO 81 - H VAL 132 far 0 60 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 7914 from nnoeabs.peaks (2.77, 8.47, 118.09 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 131 + H VAL 132 OK 100 100 100 100 2.9-3.8 4200=76, 1.8/7915=69...(22) HB2 CYS 73 - H VAL 132 far 0 73 0 - 7.5-10.8 HB2 TYR 76 - H VAL 132 far 0 95 0 - 8.8-12.9 HB3 ASN 13 - H SER 9 far 0 73 0 - 9.0-16.2 Violated in 11 structures by 0.08 A. Peak 7915 from nnoeabs.peaks (2.87, 8.47, 118.09 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 131 + H VAL 132 OK 100 100 100 100 2.8-3.8 4206=83, 1.8/7914=77...(25) HB3 ASP 47 - H SER 9 far 0 48 0 - 7.8-50.5 HB3 ASP 47 - H VAL 132 far 0 76 0 - 9.8-13.3 Violated in 1 structures by 0.00 A. Peak 7916 from nnoeabs.peaks (3.52, 8.47, 118.09 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + H VAL 132 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7917 from nnoeabs.peaks (2.28, 8.47, 118.09 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 132 + H VAL 132 OK 100 100 100 100 2.9-3.6 4214=77, 2.1/4226=43...(22) HB2 PRO 81 - H VAL 132 far 0 71 0 - 8.2-12.1 Violated in 14 structures by 0.21 A. Peak 7918 from nnoeabs.peaks (1.13, 8.47, 118.09 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 132 + H VAL 132 OK 100 100 100 100 2.0-3.7 2.1/7917=63, 4.0=54...(33) QG2 VAL 132 + H VAL 132 OK 98 99 100 100 1.6-2.6 4226=64, 2.1/7917=63...(34) HG2 LYS 39 - H VAL 132 far 0 100 0 - 6.9-12.0 HG3 LYS 39 - H VAL 132 far 0 68 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 7919 from nnoeabs.peaks (1.14, 8.47, 118.09 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 132 + H VAL 132 OK 100 100 100 100 1.6-2.6 4226=65, 2.1/7917=63...(34) QG1 VAL 132 + H VAL 132 OK 98 99 100 100 2.0-3.7 2.1/7917=63, 4.0=54...(33) HG2 LYS 39 - H VAL 132 far 0 100 0 - 6.9-12.0 HG3 LYS 39 - H VAL 132 far 0 87 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 7920 from nnoeabs.peaks (8.14, 8.47, 118.09 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 133 + H VAL 132 OK 100 100 100 100 2.3-2.5 3.3=100 H GLU 91 - H VAL 132 far 0 83 0 - 9.4-10.7 H PHE 87 - H VAL 132 far 0 60 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 7921 from nnoeabs.peaks (7.49, 8.47, 118.09 ppm; 4.99 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + H VAL 132 OK 100 100 100 100 3.8-4.1 7936/3.3=84, 7940=73...(13) HE22 GLN 127 - H VAL 132 far 0 98 0 - 8.1-11.9 H LEU 42 - H VAL 132 far 0 100 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 7922 from nnoeabs.peaks (8.14, 8.14, 117.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 133 + H VAL 133 OK 100 100 - 100 Peak 7923 from nnoeabs.peaks (3.46, 8.14, 117.00 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + H VAL 133 OK 100 100 100 100 3.8-4.6 4126/7929=95...(24) HA VAL 77 + H VAL 133 OK 56 93 70 86 7.0-8.9 9725/11251=41...(10) HA LEU 42 - H VAL 133 far 14 93 15 - 8.0-10.4 HA VAL 126 - H VAL 133 far 6 63 10 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 7925 from nnoeabs.peaks (8.27, 8.14, 117.00 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 131 + H VAL 133 OK 100 100 100 100 3.8-4.2 7903/11644=49...(16) H LEU 43 - H VAL 133 far 0 89 0 - 6.8-8.9 H GLU 40 - H VAL 133 far 0 97 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 7926 from nnoeabs.peaks (4.31, 8.14, 117.00 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 131 + H VAL 133 OK 100 100 100 100 4.1-4.9 2.9/7925=99...(20) HA PRO 81 - H VAL 133 far 3 60 5 - 7.9-11.1 HA TYR 76 - H VAL 133 far 0 100 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 7927 from nnoeabs.peaks (8.47, 8.14, 117.00 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + H VAL 133 OK 100 100 100 100 2.3-2.5 3.3=100 H ASP 47 - H VAL 133 far 0 92 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 7928 from nnoeabs.peaks (3.52, 8.14, 117.00 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + H VAL 133 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7929 from nnoeabs.peaks (2.28, 8.14, 117.00 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 132 + H VAL 133 OK 100 100 100 100 2.5-4.2 4219=80, 7917/3.3=59...(23) HB2 PRO 81 - H VAL 133 far 0 71 0 - 6.3-10.2 Violated in 6 structures by 0.09 A. Peak 7930 from nnoeabs.peaks (1.13, 8.14, 117.00 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 132 + H VAL 133 OK 100 100 100 100 3.5-4.2 4.2=82, 2.1/7929=76...(36) QG2 VAL 132 + H VAL 133 OK 99 99 100 100 1.8-3.3 2.1/7929=76, 4.4=75...(41) HG2 LYS 39 - H VAL 133 far 5 100 5 - 5.1-9.8 HG3 LYS 39 - H VAL 133 far 0 68 0 - 6.6-10.9 Violated in 0 structures by 0.00 A. Peak 7931 from nnoeabs.peaks (1.14, 8.14, 117.00 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 132 + H VAL 133 OK 100 100 100 100 1.8-3.3 2.1/7929=76, 4.4=75...(41) QG1 VAL 132 + H VAL 133 OK 99 99 100 100 3.5-4.2 4.2=82, 2.1/7929=76...(36) HG2 LYS 39 - H VAL 133 far 5 100 5 - 5.1-9.8 HG3 LYS 39 - H VAL 133 far 0 87 0 - 6.6-10.9 Violated in 0 structures by 0.00 A. Peak 7932 from nnoeabs.peaks (3.77, 8.14, 117.00 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 133 + H VAL 133 OK 100 100 100 100 2.8-2.9 3.0=100 HA SER 130 + H VAL 133 OK 87 92 100 95 3.3-3.7 3.6/7925=34...(21) HB3 SER 130 - H VAL 133 far 0 99 0 - 5.4-6.0 HA LEU 43 - H VAL 133 far 0 93 0 - 6.1-8.0 HA ARG 90 - H VAL 133 far 0 65 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 7933 from nnoeabs.peaks (2.19, 8.14, 117.00 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 133 + H VAL 133 OK 100 100 100 100 2.9-3.6 2.1/7935=72, 4.0=68...(23) HB2 GLN 82 - H VAL 133 far 0 96 0 - 7.4-12.5 Violated in 6 structures by 0.02 A. Peak 7934 from nnoeabs.peaks (0.84, 8.14, 117.00 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 133 + H VAL 133 OK 100 100 100 100 1.7-2.1 4245=80, 2.1/7935=72...(31) QG2 ILE 129 + H VAL 133 OK 84 92 100 91 3.1-4.3 10486/11894=26...(24) HG13 ILE 80 - H VAL 133 far 14 95 15 - 4.6-9.5 QG2 ILE 80 - H VAL 133 far 8 76 10 - 4.6-8.0 QD2 LEU 70 - H VAL 133 far 0 83 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 7935 from nnoeabs.peaks (1.04, 8.14, 117.00 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + H VAL 133 OK 100 100 100 100 2.4-3.7 4251=96, 2.1/7933=59...(28) QG1 VAL 77 - H VAL 133 far 0 83 0 - 8.5-10.2 Violated in 13 structures by 0.21 A. Peak 7936 from nnoeabs.peaks (7.49, 8.14, 117.00 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + H VAL 133 OK 100 100 100 100 2.4-2.8 7942=98, 7946/7935=45...(15) H LEU 42 - H VAL 133 far 0 100 0 - 8.2-10.9 HE22 GLN 127 - H VAL 133 far 0 98 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 7937 from nnoeabs.peaks (7.49, 7.49, 116.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 134 + H GLN 134 OK 100 100 - 100 Peak 7938 from nnoeabs.peaks (3.78, 7.49, 116.34 ppm; 4.79 A): 4 out of 4 assignments used, quality = 1.00: * HA SER 130 + H GLN 134 OK 99 100 100 99 3.7-4.7 11861/7946=58...(12) HA VAL 133 + H GLN 134 OK 92 92 100 100 3.5-3.6 3.6=100 HB3 SER 130 + H GLN 134 OK 87 99 95 92 5.2-7.0 10509/10593=46...(13) HA LEU 43 + H GLN 134 OK 72 100 75 95 5.3-7.5 3.9/10593=60...(11) Violated in 0 structures by 0.00 A. Peak 7939 from nnoeabs.peaks (4.31, 7.49, 116.34 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.99: * HA ASP 131 + H GLN 134 OK 99 100 100 99 3.5-4.1 4192=72, 4194/7949=59...(12) HA PRO 81 - H GLN 134 far 0 60 0 - 7.8-11.6 Violated in 0 structures by 0.00 A. Peak 7940 from nnoeabs.peaks (8.47, 7.49, 116.34 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + H GLN 134 OK 100 100 100 100 3.8-4.1 7921=100, 3.3/7936=93...(13) H ASP 47 - H GLN 134 far 0 92 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 7941 from nnoeabs.peaks (3.52, 7.49, 116.34 ppm; 5.55 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + H GLN 134 OK 100 100 100 100 3.7-4.8 3.6/7936=91...(9) Violated in 0 structures by 0.00 A. Peak 7942 from nnoeabs.peaks (8.14, 7.49, 116.34 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 133 + H GLN 134 OK 100 100 100 100 2.4-2.8 7936=100, 7935/7946=46...(15) Violated in 0 structures by 0.00 A. Peak 7943 from nnoeabs.peaks (3.77, 7.49, 116.34 ppm; 4.89 A): 4 out of 4 assignments used, quality = 1.00: * HA VAL 133 + H GLN 134 OK 100 100 100 100 3.5-3.6 3.6=100 HA SER 130 + H GLN 134 OK 90 92 100 98 3.7-4.7 11861/7946=53...(11) HB3 SER 130 + H GLN 134 OK 87 99 95 93 5.2-7.0 10509/10593=48...(13) HA LEU 43 + H GLN 134 OK 65 93 75 92 5.3-7.5 3.9/10593=62...(10) Violated in 0 structures by 0.00 A. Peak 7944 from nnoeabs.peaks (2.19, 7.49, 116.34 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 133 + H GLN 134 OK 100 100 100 100 3.9-4.3 2.1/4250=74, 2.1/7946=72...(14) HB2 GLN 82 - H GLN 134 far 0 96 0 - 7.0-13.2 Violated in 7 structures by 0.02 A. Peak 7945 from nnoeabs.peaks (0.84, 7.49, 116.34 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 133 + H GLN 134 OK 100 100 100 100 1.9-3.7 4250=100, 2.1/7946=71...(26) QG2 ILE 129 - H GLN 134 poor 19 92 25 81 5.2-6.3 7934/7936=28...(14) QG2 ILE 80 - H GLN 134 far 0 76 0 - 5.8-9.2 HG13 ILE 80 - H GLN 134 far 0 95 0 - 6.1-10.9 Violated in 0 structures by 0.00 A. Peak 7946 from nnoeabs.peaks (1.04, 7.49, 116.34 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + H GLN 134 OK 100 100 100 100 1.8-3.4 4.4=79, 2.1/4250=73...(26) Violated in 0 structures by 0.00 A. Peak 7947 from nnoeabs.peaks (4.35, 7.49, 116.34 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 134 + H GLN 134 OK 100 100 100 100 2.8-2.9 3.0=100 HA PRO 81 - H GLN 134 far 0 90 0 - 7.8-11.6 HA ASP 47 - H GLN 134 far 0 97 0 - 8.9-12.5 Violated in 0 structures by 0.00 A. Peak 7948 from nnoeabs.peaks (2.02, 7.49, 116.34 ppm; 3.66 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 134 + H GLN 134 OK 100 100 100 100 2.9-3.6 4.0=75, 1.8/7949=73...(19) HG3 ARG 135 + H GLN 134 OK 79 96 95 87 3.7-6.4 4336/7972=35...(15) HG2 PRO 81 - H GLN 134 far 0 78 0 - 5.5-8.4 HB ILE 129 - H GLN 134 far 0 87 0 - 7.3-8.3 HB3 GLU 40 - H GLN 134 far 0 92 0 - 8.4-12.8 HB2 GLU 44 - H GLN 134 far 0 100 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 7949 from nnoeabs.peaks (2.33, 7.49, 116.34 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 134 + H GLN 134 OK 100 100 100 100 2.5-3.5 4.0=77, 2.9/7950=57...(17) HG2 GLU 40 - H GLN 134 far 0 92 0 - 7.5-14.1 Violated in 0 structures by 0.00 A. Peak 7950 from nnoeabs.peaks (2.65, 7.49, 116.34 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + H GLN 134 OK 100 100 100 100 1.6-2.9 4286=70, 1.8/7951=64...(22) Violated in 0 structures by 0.00 A. Peak 7951 from nnoeabs.peaks (2.08, 7.49, 116.34 ppm; 3.74 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + H GLN 134 OK 100 100 100 100 1.8-3.5 1.8/7950=75, 4295=74...(20) HB3 LYS 39 - H GLN 134 far 15 100 15 - 4.3-10.5 HG3 PRO 81 - H GLN 134 poor 13 57 70 34 4.3-9.1 7977/7972=7...(6) HB3 GLN 82 - H GLN 134 far 0 97 0 - 8.0-13.7 HB2 GLU 128 - H GLN 134 far 0 100 0 - 8.8-10.3 HB2 GLN 127 - H GLN 134 far 0 71 0 - 9.3-11.3 HB VAL 126 - H GLN 134 far 0 76 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 7952 from nnoeabs.peaks (6.89, 7.49, 116.34 ppm; 5.95 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 134 + H GLN 134 OK 100 100 100 100 3.3-5.6 1.7/7964=100...(12) Violated in 0 structures by 0.00 A. Peak 7954 from nnoeabs.peaks (7.31, 7.49, 116.34 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 135 + H GLN 134 OK 100 100 100 100 2.3-2.7 7972=100, 7975/7949=30...(12) HZ PHE 89 - H GLN 134 far 0 99 0 - 7.1-9.2 Violated in 0 structures by 0.00 A. Peak 7955 from nnoeabs.peaks (6.89, 6.89, 112.66 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE21 GLN 134 + HE21 GLN 134 OK 100 100 - 100 HD21 ASN 121 + HD21 ASN 121 OK 70 70 - 100 HD22 ASN 13 + HD22 ASN 13 OK 58 58 - 100 Peak 7956 from nnoeabs.peaks (7.49, 6.89, 112.66 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HE21 GLN 134 OK 100 100 100 100 3.3-5.6 7952=100, 7964/1.7=100...(12) H LEU 42 - HE21 GLN 134 far 5 100 5 - 8.1-14.6 HE22 GLN 127 - HE21 GLN 134 far 0 98 0 - 8.5-16.1 Violated in 0 structures by 0.00 A. Peak 7957 from nnoeabs.peaks (4.35, 6.89, 112.66 ppm; 4.67 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 134 + HE21 GLN 134 OK 100 100 100 100 3.9-5.7 4261/3.5=72, 4296/3.5=72...(9) HA PRO 117 + HD21 ASN 121 OK 33 66 55 91 3.5-10.0 11600/10329=20...(19) HA ASP 47 - HE21 GLN 134 far 5 97 5 - 6.1-14.1 HA CYS 125 - HD21 ASN 121 far 4 76 5 - 5.9-11.7 HA LYS 24 - HD22 ASN 13 far 0 54 0 - 6.3-24.7 HA PRO 81 - HE21 GLN 134 far 0 90 0 - 8.6-14.7 HA PRO 113 - HD21 ASN 121 far 0 58 0 - 8.7-18.8 HA LYS 24 - HD21 ASN 121 far 0 60 0 - 9.9-36.2 Violated in 5 structures by 0.09 A. Peak 7958 from nnoeabs.peaks (2.02, 6.89, 112.66 ppm; 4.20 A): 3 out of 17 assignments used, quality = 0.99: * HB2 GLN 134 + HE21 GLN 134 OK 97 100 100 97 2.1-4.5 4.3=91, 3.0/7957=40...(4) HG3 ARG 135 + HE21 GLN 134 OK 39 96 60 69 2.7-10.4 4288/3.5=26, 4297/3.5=24...(6) HB3 PRO 117 + HD21 ASN 121 OK 35 69 55 92 1.7-8.5 11590/11533=25...(22) HG3 PRO 117 - HD21 ASN 121 poor 17 37 55 85 2.2-9.8 ~3710=13, 1.8/7961=13...(22) HB3 MET 11 - HD22 ASN 13 far 10 69 15 - 3.9-9.9 QE MET 11 - HD22 ASN 13 far 8 51 15 - 3.5-11.4 HB3 GLU 40 - HE21 GLN 134 far 0 92 0 - 5.9-15.9 HG2 PRO 81 - HE21 GLN 134 far 0 78 0 - 6.2-11.2 HB3 GLU 30 - HD22 ASN 13 far 0 69 0 - 6.3-31.1 HB2 GLU 44 - HE21 GLN 134 far 0 100 0 - 6.6-14.2 HG2 PRO 58 - HD22 ASN 13 far 0 68 0 - 7.5-38.1 HG2 PRO 56 - HD22 ASN 13 far 0 61 0 - 7.5-44.0 HB VAL 20 - HD22 ASN 13 far 0 52 0 - 7.7-19.0 HB ILE 129 - HE21 GLN 134 far 0 87 0 - 7.8-12.1 HB3 PRO 56 - HD22 ASN 13 far 0 51 0 - 8.3-44.3 HB3 GLU 55 - HD22 ASN 13 far 0 49 0 - 8.5-42.5 HG3 PRO 56 - HD22 ASN 13 far 0 61 0 - 9.1-45.7 Violated in 3 structures by 0.02 A. Peak 7959 from nnoeabs.peaks (2.33, 6.89, 112.66 ppm; 4.39 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 134 + HE21 GLN 134 OK 100 100 100 100 1.8-4.7 4.3=100 HB3 GLN 101 - HD21 ASN 121 far 0 39 0 - 5.9-14.4 HG2 GLU 44 - HE21 GLN 134 far 0 99 0 - 6.0-15.6 HG2 GLU 40 - HE21 GLN 134 far 0 92 0 - 6.7-17.7 HG3 GLU 30 - HD22 ASN 13 far 0 69 0 - 6.8-29.7 HG2 GLU 102 - HD21 ASN 121 far 0 39 0 - 8.2-13.5 HG3 GLN 27 - HD22 ASN 13 far 0 35 0 - 8.6-31.2 HG2 GLN 127 - HD21 ASN 121 far 0 47 0 - 9.4-13.0 HG2 GLN 127 - HE21 GLN 134 far 0 71 0 - 9.7-14.8 HG2 GLN 27 - HD22 ASN 13 far 0 45 0 - 9.9-32.3 Violated in 4 structures by 0.05 A. Peak 7960 from nnoeabs.peaks (2.65, 6.89, 112.66 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 134 + HE21 GLN 134 OK 100 100 100 100 2.5-4.1 3.5=100 HB2 ASP 35 - HD22 ASN 13 far 0 42 0 - 9.0-38.9 HB2 ASP 71 - HD22 ASN 13 far 0 49 0 - 9.0-35.0 Violated in 11 structures by 0.16 A. Peak 7961 from nnoeabs.peaks (2.08, 6.89, 112.66 ppm; 4.06 A): 1 out of 19 assignments used, quality = 1.00: * HG3 GLN 134 + HE21 GLN 134 OK 100 100 100 100 3.5-3.9 3.5=100 HG2 PRO 117 - HD21 ASN 121 poor 19 41 55 86 2.7-9.8 10325/3.5=13, ~3710=12...(23) HG3 PRO 81 - HE21 GLN 134 far 6 57 10 - 5.5-11.6 HB VAL 118 - HD21 ASN 121 far 5 47 10 - 5.2-7.8 HB2 GLN 61 - HD22 ASN 13 far 3 57 5 - 4.7-33.1 HB3 GLN 61 - HD22 ASN 13 far 3 52 5 - 5.3-34.4 HB3 GLU 44 - HE21 GLN 134 far 0 100 0 - 6.2-15.6 HB2 GLU 102 - HD21 ASN 121 far 0 77 0 - 6.9-14.9 HB3 LYS 39 - HE21 GLN 134 far 0 100 0 - 7.3-15.0 HB VAL 126 - HD21 ASN 121 far 0 51 0 - 7.4-13.7 HG3 PRO 58 - HD22 ASN 13 far 0 64 0 - 7.9-37.0 HB VAL 57 - HD22 ASN 13 far 0 66 0 - 8.2-38.1 HB2 GLU 128 - HD21 ASN 121 far 0 77 0 - 8.5-15.6 HB3 GLN 82 - HE21 GLN 134 far 0 97 0 - 8.8-15.2 HB3 GLN 27 - HD22 ASN 13 far 0 49 0 - 8.8-30.8 HB VAL 126 - HE21 GLN 134 far 0 76 0 - 9.1-16.4 HG3 GLU 91 - HD21 ASN 121 far 0 43 0 - 9.6-20.2 HB2 GLN 127 - HE21 GLN 134 far 0 71 0 - 9.6-13.4 HB2 GLU 128 - HE21 GLN 134 far 0 100 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 7962 from nnoeabs.peaks (7.13, 6.89, 112.66 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 134 + HE21 GLN 134 OK 100 100 100 100 1.7-1.7 1.7=100 HD2 HIS 67 - HD22 ASN 13 far 0 51 0 - 8.8-37.0 HD2 HIS 67 - HD21 ASN 121 far 0 57 0 - 9.0-17.7 QD TYR 72 - HE21 GLN 134 far 0 90 0 - 9.6-15.8 Violated in 0 structures by 0.00 A. Peak 7963 from nnoeabs.peaks (7.13, 7.13, 112.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HE22 GLN 134 OK 100 100 - 100 Peak 7964 from nnoeabs.peaks (7.49, 7.13, 112.66 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HE22 GLN 134 OK 100 100 100 100 4.1-5.2 7950/3.5=69, 4295/3.5=62...(15) H LEU 42 - HE22 GLN 134 far 0 100 0 - 7.9-15.0 HE22 GLN 127 - HE22 GLN 134 far 0 98 0 - 8.0-15.8 Violated in 10 structures by 0.30 A. Peak 7965 from nnoeabs.peaks (4.35, 7.13, 112.66 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 134 + HE22 GLN 134 OK 100 100 100 100 3.1-5.8 4261/3.5=79, 4296/3.5=79...(13) HA ASP 47 - HE22 GLN 134 far 5 97 5 - 5.1-14.0 HA PRO 81 - HE22 GLN 134 far 0 90 0 - 8.8-14.8 Violated in 9 structures by 0.23 A. Peak 7966 from nnoeabs.peaks (2.02, 7.13, 112.66 ppm; 4.43 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 134 + HE22 GLN 134 OK 100 100 100 100 1.9-4.1 4.3=100 HG3 ARG 135 + HE22 GLN 134 OK 43 96 60 76 3.3-9.2 4288/3.5=29, 4297/3.5=27...(7) HB3 GLU 40 - HE22 GLN 134 far 5 92 5 - 5.3-14.6 HG2 PRO 81 - HE22 GLN 134 far 0 78 0 - 6.6-11.0 HB2 GLU 44 - HE22 GLN 134 far 0 100 0 - 7.2-15.0 HB ILE 129 - HE22 GLN 134 far 0 87 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 7967 from nnoeabs.peaks (2.33, 7.13, 112.66 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 134 + HE22 GLN 134 OK 100 100 100 100 1.7-4.9 4.3=100 HG2 GLU 40 - HE22 GLN 134 far 9 92 10 - 5.5-16.3 HG2 GLU 44 - HE22 GLN 134 far 0 99 0 - 6.9-15.8 HG2 GLN 127 - HE22 GLN 134 far 0 71 0 - 8.9-14.7 Violated in 8 structures by 0.13 A. Peak 7968 from nnoeabs.peaks (2.65, 7.13, 112.66 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HE22 GLN 134 OK 100 100 100 100 3.3-3.7 3.5=100 Violated in 9 structures by 0.03 A. Peak 7969 from nnoeabs.peaks (2.08, 7.13, 112.66 ppm; 3.97 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLN 134 + HE22 GLN 134 OK 100 100 100 100 2.7-4.1 3.5=100 HG3 PRO 81 - HE22 GLN 134 far 3 57 5 - 5.4-11.8 HB3 LYS 39 - HE22 GLN 134 far 0 100 0 - 6.4-14.6 HB3 GLU 44 - HE22 GLN 134 far 0 100 0 - 7.6-16.2 HB2 GLN 127 - HE22 GLN 134 far 0 71 0 - 8.9-13.2 HB VAL 126 - HE22 GLN 134 far 0 76 0 - 9.2-16.3 HB2 GLU 128 - HE22 GLN 134 far 0 100 0 - 9.9-12.8 HB3 GLN 82 - HE22 GLN 134 far 0 97 0 - 9.9-15.8 Violated in 9 structures by 0.06 A. Peak 7970 from nnoeabs.peaks (6.89, 7.13, 112.66 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 134 + HE22 GLN 134 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7971 from nnoeabs.peaks (7.31, 7.31, 125.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 135 + H ARG 135 OK 100 100 - 100 Peak 7972 from nnoeabs.peaks (7.49, 7.31, 125.67 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 134 + H ARG 135 OK 99 100 100 99 2.3-2.7 7954=88, 7949/7975=27...(12) H LEU 42 - H ARG 135 far 0 100 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 7973 from nnoeabs.peaks (4.35, 7.31, 125.67 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 134 + H ARG 135 OK 100 100 100 100 3.3-3.5 3.6=100 HA PRO 81 - H ARG 135 far 0 90 0 - 6.9-11.1 Violated in 0 structures by 0.00 A. Peak 7974 from nnoeabs.peaks (2.02, 7.31, 125.67 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 134 + H ARG 135 OK 98 100 100 98 3.0-4.0 4.4=62, 1.8/7975=58...(12) HG3 ARG 135 + H ARG 135 OK 96 96 100 100 1.8-4.1 1.8/7983=83, 2.9/7982=67...(28) HG2 PRO 81 - H ARG 135 poor 10 78 50 25 4.1-7.5 1.8/4336=12, 4325/7982=4...(6) HB ILE 129 - H ARG 135 far 0 87 0 - 9.4-10.0 HB3 GLU 40 - H ARG 135 far 0 92 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 7975 from nnoeabs.peaks (2.33, 7.31, 125.67 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 134 + H ARG 135 OK 100 100 100 100 4.1-4.5 4.4=95, 7949/7972=71...(10) HG2 GLU 40 - H ARG 135 far 0 92 0 - 8.6-16.3 Violated in 2 structures by 0.01 A. Peak 7976 from nnoeabs.peaks (2.65, 7.31, 125.67 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + H ARG 135 OK 100 100 100 100 2.2-4.1 4.9=93, 7950/7972=82...(16) Violated in 0 structures by 0.00 A. Peak 7977 from nnoeabs.peaks (2.08, 7.31, 125.67 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 134 + H ARG 135 OK 100 100 100 100 2.2-4.3 4.9=82, 1.8/7976=74...(16) HG3 PRO 81 + H ARG 135 OK 22 57 80 48 3.0-8.2 4262/3.6=9, 7951/7972=9...(11) HB3 LYS 39 - H ARG 135 far 0 100 0 - 6.1-12.4 HB3 GLN 82 - H ARG 135 far 0 97 0 - 6.1-12.6 HB2 GLU 128 - H ARG 135 far 0 100 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 7980 from nnoeabs.peaks (4.02, 7.31, 125.67 ppm; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + H ARG 135 OK 100 100 100 100 2.7-2.9 3.0=100 HD3 PRO 81 - H ARG 135 far 0 83 0 - 5.2-8.0 Violated in 0 structures by 0.00 A. Peak 7981 from nnoeabs.peaks (1.90, 7.31, 125.67 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + H ARG 135 OK 100 100 100 100 2.1-3.6 1.8/7982=73, 4.0=57...(21) HB3 ARG 84 - H ARG 135 far 0 100 0 - 7.7-11.9 Violated in 12 structures by 0.17 A. Peak 7982 from nnoeabs.peaks (1.82, 7.31, 125.67 ppm; 3.20 A): 1 out of 3 assignments used, quality = 0.99: * HB3 ARG 135 + H ARG 135 OK 99 100 100 99 2.6-3.6 1.8/7981=67, 4.0=52...(20) HB2 ARG 84 - H ARG 135 far 0 98 0 - 7.5-13.1 HB2 LYS 86 - H ARG 135 far 0 76 0 - 8.8-12.8 Violated in 8 structures by 0.15 A. Peak 7983 from nnoeabs.peaks (1.71, 7.31, 125.67 ppm; 3.35 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 135 + H ARG 135 OK 100 100 100 100 2.6-4.0 4328=62, 2.9/7982=56...(27) HD3 LYS 39 - H ARG 135 far 0 100 0 - 5.4-13.1 HB2 LEU 43 - H ARG 135 far 0 89 0 - 6.9-10.2 HB ILE 80 - H ARG 135 far 0 65 0 - 7.5-11.0 Violated in 3 structures by 0.05 A. Peak 7984 from nnoeabs.peaks (2.03, 7.31, 125.67 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 135 + H ARG 135 OK 100 100 100 100 1.8-4.1 1.8/7983=77, 2.9/7982=61...(29) HB2 GLN 134 + H ARG 135 OK 92 96 100 97 3.0-4.0 4.4=52, 1.8/7975=51...(12) HG3 PRO 81 - H ARG 135 poor 16 85 45 43 3.0-8.2 4336=11, 10575/10632=8...(13) HB3 GLU 40 - H ARG 135 far 0 100 0 - 9.8-14.9 Violated in 1 structures by 0.00 A. Peak 7985 from nnoeabs.peaks (2.94, 7.31, 125.67 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + H ARG 135 OK 100 100 100 100 2.1-4.7 3.0/7983=77, 3.7/7982=69...(29) HE2 LYS 39 - H ARG 135 poor 17 99 30 57 4.8-10.6 10577/10556=20...(6) HE3 LYS 39 - H ARG 135 poor 16 97 40 42 4.0-11.9 10571/10632=17...(6) Violated in 13 structures by 0.14 A. Peak 7986 from nnoeabs.peaks (3.23, 7.31, 125.67 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 135 + H ARG 135 OK 100 100 100 100 2.6-4.7 3.0/7983=86, 3.7/7982=78...(26) HB3 HIS 4 - H ARG 135 far 5 100 5 - 4.4-73.0 HB2 HIS 5 - H ARG 135 far 0 100 0 - 8.9-67.2 Violated in 1 structures by 0.00 A. Peak 9012 from nnoeabs.peaks (4.53, 7.97, 121.77 ppm; 4.42 A): 3 out of 3 assignments used, quality = 1.00: HA SER 38 + H ILE 37 OK 97 99 100 98 4.6-5.6 10924/6414=50...(12) HA ASP 35 + H ILE 37 OK 97 97 100 99 3.6-4.7 6388/4.4=58...(20) HA TYR 72 + H ILE 37 OK 32 87 40 91 5.4-9.8 11134/6414=43...(11) Violated in 0 structures by 0.00 A. Peak 9029 from nnoeabs.peaks (8.29, 7.98, 119.00 ppm; 5.83 A): 2 out of 6 assignments used, quality = 0.94: H GLU 40 + H SER 38 OK 92 97 100 95 5.6-6.6 6448/6430=77...(5) H LEU 43 + H SER 38 OK 22 100 35 62 5.4-8.0 10942/9040=40...(4) H LEU 69 - H SER 38 far 5 99 5 - 7.0-12.7 H ALA 21 - H SER 38 far 5 90 5 - 5.6-30.9 H GLY 17 - H SER 38 far 3 63 5 - 5.8-33.8 H TYR 72 - H SER 38 far 3 57 5 - 6.1-10.0 Violated in 12 structures by 0.09 A. Peak 9035 from nnoeabs.peaks (6.48, 8.69, 124.20 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.97: QE TYR 76 + H LYS 39 OK 87 97 90 99 1.9-8.0 9036/2.8=68...(11) QD TYR 76 + H LYS 39 OK 77 83 95 98 3.5-6.8 ~9036=53, ~9036=51...(10) Violated in 2 structures by 0.10 A. Peak 9040 from nnoeabs.peaks (1.18, 7.98, 119.00 ppm; 3.89 A): 1 out of 6 assignments used, quality = 0.92: QB ALA 41 + H SER 38 OK 92 93 100 99 1.9-4.2 10819/6423=53...(15) QG2 THR 18 - H SER 38 far 0 95 0 - 5.4-30.9 HG3 LYS 39 - H SER 38 far 0 63 0 - 7.1-8.2 QG2 THR 25 - H SER 38 far 0 100 0 - 7.2-20.9 HG12 ILE 32 - H SER 38 far 0 78 0 - 8.0-14.0 HG12 ILE 80 - H SER 38 far 0 65 0 - 9.0-17.9 Violated in 1 structures by 0.01 A. Peak 9076 from nnoeabs.peaks (1.69, 7.49, 120.97 ppm; 5.29 A): 0 out of 5 assignments used, quality = 0.00: HD2 LYS 39 - H LEU 42 poor 19 95 20 - 6.0-7.9 HD3 LYS 36 - H LEU 42 poor 16 81 20 - 2.8-12.0 HD2 LYS 36 - H LEU 42 poor 16 81 20 - 3.7-10.8 HD3 LYS 39 - H LEU 42 far 11 76 15 - 6.5-7.8 HB2 LEU 69 - H LEU 42 far 4 78 5 - 6.6-10.8 Violated in 16 structures by 0.57 A. Peak 9130 from nnoeabs.peaks (1.18, 8.33, 119.61 ppm; 4.91 A): 1 out of 5 assignments used, quality = 0.98: QB ALA 41 + H GLU 44 OK 98 98 100 100 4.2-4.9 2.1/6515=91, 3.7/6516=58...(19) HG3 LYS 39 - H GLU 44 poor 19 76 30 85 5.5-7.6 11901/6523=53...(9) QG2 THR 25 - H GLU 44 far 10 99 10 - 3.8-23.3 HG12 ILE 32 - H GLU 44 far 4 89 5 - 5.9-17.9 QG2 THR 18 - H GLU 44 far 0 99 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 9132 from nnoeabs.peaks (1.34, 8.33, 119.61 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 46 + H GLU 44 OK 100 100 100 100 4.3-5.3 3.1/6531=77, 9188/2.8=73...(12) QB ALA 21 - H GLU 44 far 0 100 0 - 8.6-28.5 QB ALA 12 - H GLU 44 far 0 92 0 - 8.6-31.9 Violated in 14 structures by 0.13 A. Peak 9142 from nnoeabs.peaks (6.80, 7.69, 120.85 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + H CYS 45 OK 100 100 100 100 4.5-6.5 9532=71, 9144/3.5=65...(21) HE21 GLN 127 - H CYS 45 far 0 87 0 - 6.7-13.4 Violated in 11 structures by 0.29 A. Peak 9149 from nnoeabs.peaks (2.18, 7.69, 120.85 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.66: HB3 LEU 69 + H CYS 45 OK 66 95 70 100 4.8-7.8 9153/2.8=73...(28) HB3 GLN 68 - H CYS 45 far 0 100 0 - 6.8-10.0 HB VAL 133 - H CYS 45 far 0 96 0 - 9.3-11.8 Violated in 20 structures by 1.25 A. Peak 9152 from nnoeabs.peaks (1.34, 7.69, 120.85 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 46 + H CYS 45 OK 100 100 100 100 4.2-4.6 9188/3.6=66, 9132/3.4=61...(14) QB ALA 21 - H CYS 45 far 0 100 0 - 6.4-26.5 QB ALA 12 - H CYS 45 far 0 85 0 - 8.0-29.8 Violated in 0 structures by 0.00 A. Peak 9162 from nnoeabs.peaks (0.99, 7.69, 120.85 ppm; 6.19 A): 1 out of 2 assignments used, quality = 0.89: QD1 LEU 69 + H CYS 45 OK 89 93 95 100 3.7-8.1 9160/3.5=93, 3.2/9149=92...(24) QD2 LEU 53 - H CYS 45 far 0 63 0 - 9.5-13.9 Violated in 5 structures by 0.14 A. Peak 9163 from nnoeabs.peaks (0.89, 7.69, 120.85 ppm; 5.84 A): 3 out of 6 assignments used, quality = 0.98: QD2 LEU 48 + H CYS 45 OK 86 90 95 100 3.1-7.5 ~10886=65, ~1438=59...(36) QD2 LEU 69 + H CYS 45 OK 76 76 100 100 3.6-7.1 3.0/9149=88...(27) QD1 LEU 49 + H CYS 45 OK 56 83 75 90 6.6-8.3 ~1573=29, ~9166=26...(13) QD2 LEU 123 - H CYS 45 far 0 99 0 - 8.0-12.5 QG1 VAL 20 - H CYS 45 far 0 92 0 - 8.0-24.2 QG2 VAL 20 - H CYS 45 far 0 100 0 - 8.4-25.1 Violated in 0 structures by 0.00 A. Peak 9165 from nnoeabs.peaks (0.99, 8.54, 121.48 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.89: QD1 LEU 69 + H ALA 46 OK 84 89 95 100 2.7-6.1 11083=81, 11046/3.1=58...(28) QG2 VAL 126 + H ALA 46 OK 28 63 45 99 4.9-6.9 ~10409=42, ~10409=41...(20) QD2 LEU 53 - H ALA 46 far 0 71 0 - 8.2-12.0 QD2 LEU 53 - H HIS 5 far 0 61 0 - 8.9-52.3 Violated in 7 structures by 0.12 A. Peak 9166 from nnoeabs.peaks (0.78, 8.54, 121.48 ppm; 5.04 A): 3 out of 12 assignments used, quality = 0.98: QD2 LEU 49 + H ALA 46 OK 87 87 100 100 3.6-4.8 10898/2.9=78...(20) QD2 LEU 43 + H ALA 46 OK 73 73 100 99 4.4-5.9 9176/3.1=78, 3.9/1347=49...(11) QD1 ILE 32 + H ALA 46 OK 35 100 40 87 4.3-11.9 10812/4.3=55...(7) QD1 ILE 37 - H ALA 46 lone 4 100 35 12 4.5-10.2 11037/11083=8, 6524/6531=2 QD1 LEU 96 - H ALA 46 far 0 99 0 - 6.8-10.0 QD1 LEU 122 - H ALA 46 far 0 63 0 - 7.1-11.2 QD1 LEU 53 - H ALA 46 far 0 92 0 - 7.5-10.3 QD2 LEU 122 - H ALA 46 far 0 99 0 - 7.6-11.2 QD2 LEU 43 - H HIS 5 far 0 63 0 - 8.2-52.8 QD1 LEU 53 - H HIS 5 far 0 81 0 - 8.7-50.8 QG1 VAL 93 - H ALA 46 far 0 60 0 - 9.1-11.4 HG12 ILE 129 - H ALA 46 far 0 60 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 9167 from nnoeabs.peaks (0.57, 8.54, 121.48 ppm; 6.07 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 42 + H ALA 46 OK 99 99 100 100 3.6-6.5 9177/3.1=95...(13) Violated in 4 structures by 0.04 A. Peak 9180 from nnoeabs.peaks (0.94, 8.46, 118.99 ppm; 4.81 A): 2 out of 8 assignments used, quality = 0.91: QD1 LEU 48 + H ASP 47 OK 79 90 90 97 3.3-6.4 4.8/6579=60...(14) QD1 LEU 49 + H ASP 47 OK 56 65 100 86 4.2-5.8 4.7/6594=44...(13) QG1 VAL 126 - H ASP 47 poor 18 89 20 - 5.3-9.1 QG2 VAL 126 - H ASP 47 poor 18 73 30 80 5.3-7.8 11616/6568=46...(9) QD1 LEU 123 - H ASP 47 far 5 96 5 - 6.1-9.7 QG2 ILE 37 - H ASP 47 far 0 100 0 - 6.8-12.3 QD2 LEU 53 - H ASP 47 far 0 65 0 - 7.6-11.2 QD1 LEU 62 - H ASP 47 far 0 68 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 9181 from nnoeabs.peaks (0.77, 8.46, 118.99 ppm; 5.93 A): 3 out of 8 assignments used, quality = 0.98: QD2 LEU 43 + H ASP 47 OK 82 83 100 99 4.1-6.6 9176/6568=89...(11) QD2 LEU 49 + H ASP 47 OK 78 78 100 100 4.4-5.2 10898/3.6=87...(21) QD1 ILE 32 + H ASP 47 OK 40 100 40 99 5.4-13.8 10812=98, 9166/4.3=13...(7) QD1 LEU 53 - H ASP 47 far 4 85 5 - 7.3-9.6 QD1 ILE 37 - H ASP 47 lone 2 100 25 10 6.6-12.0 11037/2214=4...(3) QD2 LEU 96 - H ASP 47 far 0 68 0 - 8.1-13.1 QD2 LEU 122 - H ASP 47 far 0 96 0 - 8.2-12.4 QD1 LEU 96 - H ASP 47 far 0 100 0 - 8.3-11.7 Violated in 0 structures by 0.00 A. Peak 9198 from nnoeabs.peaks (1.50, 8.04, 122.99 ppm; 5.50 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 49 + H LEU 48 OK 100 100 100 100 4.9-5.8 3.9/6589=86, 4.6/6590=63...(20) QB ALA 52 + H LEU 48 OK 76 78 100 97 5.8-6.7 9247/6589=51...(18) HG LEU 69 - H LEU 48 poor 19 95 35 58 5.6-9.8 9182/9191=23...(6) HG LEU 42 - H LEU 48 far 0 92 0 - 8.3-10.7 HB2 LEU 53 - H LEU 48 far 0 83 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 9199 from nnoeabs.peaks (1.23, 8.04, 122.99 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 65 + H LEU 48 OK 100 100 100 100 3.8-6.4 9446=91, 11703/6589=73...(16) QG2 THR 54 - H LEU 48 far 0 99 0 - 8.4-12.6 Violated in 15 structures by 0.72 A. Peak 9212 from nnoeabs.peaks (1.22, 8.66, 113.28 ppm; 5.38 A): 2 out of 3 assignments used, quality = 0.99: QG2 THR 65 + H SER 50 OK 99 99 100 100 4.2-5.8 11703/3.2=77...(23) QG2 THR 54 + H SER 50 OK 23 85 55 50 5.4-9.7 9278/6621=17...(7) QG2 THR 65 - H SER 60 far 0 91 0 - 7.4-9.9 Violated in 3 structures by 0.03 A. Peak 9213 from nnoeabs.peaks (1.33, 8.66, 113.28 ppm; 5.78 A): 1 out of 3 assignments used, quality = 0.94: QB ALA 46 + H SER 50 OK 94 95 100 100 4.3-5.0 10409/11601=86, ~1455=38...(14) QB ALA 21 - H SER 60 far 4 85 5 - 7.0-29.7 QB ALA 21 - H SER 50 far 0 95 0 - 8.9-27.5 Violated in 0 structures by 0.00 A. Peak 9214 from nnoeabs.peaks (2.09, 8.66, 113.28 ppm; 5.07 A): 4 out of 12 assignments used, quality = 0.99: HG3 PRO 58 + H SER 60 OK 80 80 100 99 3.0-4.4 2.3/9330=74, 2.3/9332=71...(18) HB3 GLN 61 + H SER 60 OK 75 85 100 88 4.4-6.5 4.0/6750=63, 4.6/6746=27...(8) HB2 GLN 61 + H SER 60 OK 73 89 100 82 5.7-6.5 4.0/6750=63, 4.6/6746=27...(4) HB VAL 57 + H SER 60 OK 46 94 95 51 5.8-6.6 1836/9338=14...(7) HB VAL 112 - H SER 60 poor 20 49 40 - 4.4-17.8 HB VAL 126 - H SER 50 poor 18 89 20 - 5.9-9.4 HG3 PRO 113 - H SER 60 far 6 56 10 - 5.1-14.3 HB3 GLN 27 - H SER 50 far 3 65 5 - 5.8-26.8 HB3 GLN 27 - H SER 60 far 0 56 0 - 7.2-21.9 HB3 GLU 44 - H SER 50 far 0 97 0 - 8.5-9.9 HB2 GLN 61 - H SER 50 far 0 97 0 - 8.8-12.2 HB VAL 57 - H SER 50 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9220 from nnoeabs.peaks (1.43, 7.98, 115.88 ppm; 4.78 A): 1 out of 6 assignments used, quality = 0.93: QB ALA 92 + H SER 94 OK 93 93 100 100 4.4-4.9 7267/3.6=74...(25) HG2 LYS 26 - H SER 51 far 5 100 5 - 4.3-27.3 HG3 LYS 19 - H SER 51 far 5 98 5 - 5.7-38.9 HG3 LYS 24 - H SER 51 far 0 97 0 - 7.9-29.5 HG2 LYS 86 - H SER 94 far 0 84 0 - 9.7-12.6 HG3 LYS 24 - H SER 94 far 0 88 0 - 9.8-34.4 Violated in 2 structures by 0.01 A. Peak 9221 from nnoeabs.peaks (1.94, 7.98, 115.88 ppm; 4.11 A): 4 out of 8 assignments used, quality = 0.98: HB2 LYS 95 + H SER 94 OK 83 92 95 96 4.3-6.0 7300/3.4=31...(24) HG LEU 53 + H SER 51 OK 63 99 70 91 4.3-7.0 1662/6658=34...(13) HB3 ARG 90 + H SER 94 OK 53 92 80 73 4.6-6.6 3.0/7275=47...(3) HB3 LEU 49 + H SER 51 OK 43 63 70 98 5.3-5.9 3.9/6610=46, 1.8/9224=24...(26) HB3 LYS 95 - H SER 94 far 5 93 5 - 5.0-6.4 HB2 GLN 27 - H SER 51 far 0 81 0 - 6.6-27.9 HB2 GLN 27 - H SER 94 far 0 71 0 - 7.1-28.4 HB2 GLU 30 - H SER 94 far 0 87 0 - 9.4-26.6 Violated in 7 structures by 0.04 A. Peak 9223 from nnoeabs.peaks (1.25, 7.99, 115.96 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.96: QG2 THR 54 + H SER 51 OK 85 90 95 100 4.1-8.4 ~1691=84, ~1614=83...(9) QG2 THR 65 + H SER 51 OK 70 71 100 99 5.0-7.5 11703/6610=73...(14) Violated in 1 structures by 0.00 A. Peak 9224 from nnoeabs.peaks (1.47, 7.99, 115.96 ppm; 4.47 A): 2 out of 5 assignments used, quality = 0.96: QB ALA 52 + H SER 51 OK 88 93 100 95 4.0-4.3 6662/6658=53...(17) HB2 LEU 49 + H SER 51 OK 62 66 95 99 5.6-6.0 3.9/6610=53, ~6619=32...(27) HG3 LYS 24 - H SER 51 far 0 52 0 - 7.9-29.5 HG3 LYS 86 - H SER 94 far 0 100 0 - 9.6-12.9 HG3 LYS 24 - H SER 94 far 0 60 0 - 9.8-34.4 Violated in 0 structures by 0.00 A. Peak 9225 from nnoeabs.peaks (1.64, 7.99, 115.96 ppm; 4.64 A): 2 out of 19 assignments used, quality = 0.95: HD3 LYS 95 + H SER 94 OK 78 83 95 99 3.2-6.3 9828/7282=39...(24) HD2 LYS 95 + H SER 94 OK 76 92 85 98 3.8-6.5 7303/3.4=29, ~7304=23...(22) HD3 LYS 26 - H SER 51 far 4 75 5 - 5.7-29.1 HD2 LYS 26 - H SER 51 far 4 71 5 - 4.2-29.2 HD2 LYS 24 - H SER 51 far 0 69 0 - 6.8-31.6 HG LEU 70 - H SER 94 far 0 65 0 - 6.9-10.9 HB2 LEU 123 - H SER 51 far 0 88 0 - 6.9-11.0 HG LEU 62 - H SER 51 far 0 90 0 - 7.3-11.9 QB ALA 88 - H SER 94 far 0 78 0 - 7.6-8.2 HB2 LEU 98 - H SER 94 far 0 95 0 - 7.7-9.2 HD2 LYS 19 - H SER 51 far 0 89 0 - 7.8-38.9 HD3 LYS 24 - H SER 51 far 0 71 0 - 8.2-30.4 HD2 LYS 24 - H SER 94 far 0 78 0 - 8.4-33.7 HD3 LYS 19 - H SER 51 far 0 89 0 - 8.5-40.4 HG3 ARG 23 - H SER 51 far 0 85 0 - 9.1-31.4 HD3 LYS 24 - H SER 94 far 0 81 0 - 9.1-35.3 HB2 LEU 122 - H SER 94 far 0 57 0 - 9.8-11.9 HD3 LYS 86 - H SER 94 far 0 83 0 - 9.8-13.7 HG LEU 22 - H SER 51 far 0 69 0 - 10.0-30.7 Violated in 5 structures by 0.02 A. Peak 9226 from nnoeabs.peaks (2.22, 7.99, 115.96 ppm; 5.19 A): 2 out of 7 assignments used, quality = 0.98: HG2 GLU 91 + H SER 94 OK 95 99 100 96 4.7-5.8 7254/7259=66...(12) HB3 LEU 96 + H SER 94 OK 59 90 65 100 4.6-7.2 3.8/7288=45...(25) HB3 GLN 127 - H SER 51 poor 18 92 20 - 5.5-9.6 HB3 GLU 97 - H SER 94 far 5 100 5 - 6.7-8.6 HB3 GLU 128 - H SER 94 far 0 100 0 - 7.9-10.9 HB2 GLN 101 - H SER 94 far 0 93 0 - 9.0-11.1 HG2 GLN 68 - H SER 51 far 0 88 0 - 9.9-17.2 Violated in 1 structures by 0.02 A. Peak 9227 from nnoeabs.peaks (0.90, 8.03, 125.41 ppm; 3.96 A): 5 out of 11 assignments used, quality = 0.98: QD1 LEU 49 + H ALA 52 OK 87 96 100 91 4.2-5.1 9231/2.9=22, 3.2/9234=20...(22) QD2 LEU 48 + H ALA 52 OK 47 99 55 87 3.4-6.9 9231/2.9=27...(17) QD2 LEU 123 + H ALA 52 OK 41 90 60 76 4.3-6.5 10348/9228=22...(19) QD1 LEU 48 + H ALA 52 OK 33 76 55 79 4.8-6.3 10961/1620=19...(17) QD1 LEU 123 + H ALA 52 OK 22 65 50 68 3.7-7.3 9231/2.9=18...(19) QG1 VAL 20 - H ALA 52 far 5 99 5 - 3.0-26.7 QG2 VAL 20 - H ALA 52 far 5 98 5 - 4.7-25.3 QD1 LEU 62 - H ALA 52 far 5 95 5 - 5.2-9.9 QG1 VAL 118 - H ALA 52 far 0 100 0 - 8.3-15.1 QD1 LEU 22 - H ALA 52 far 0 99 0 - 9.7-26.7 QG2 VAL 63 - H ALA 52 far 0 97 0 - 9.7-12.9 Violated in 6 structures by 0.06 A. Peak 9228 from nnoeabs.peaks (0.68, 8.03, 125.41 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.30: QD2 LEU 62 + H ALA 52 OK 30 100 30 100 4.1-7.4 9232/2.9=87, 9230/2.9=62...(18) QD2 LEU 100 - H ALA 52 far 0 100 0 - 7.4-14.4 Violated in 19 structures by 1.67 A. Peak 9233 from nnoeabs.peaks (1.25, 8.03, 125.41 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.98: QG2 THR 54 + H ALA 52 OK 86 100 90 96 3.9-7.5 6684/6673=69...(10) QG2 THR 65 + H ALA 52 OK 83 89 95 98 4.2-7.1 9446=47, 9440/2.9=41...(20) Violated in 2 structures by 0.08 A. Peak 9234 from nnoeabs.peaks (1.94, 8.03, 125.41 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 53 + H ALA 52 OK 99 99 100 100 3.8-5.8 2.1/10963=70...(21) HB3 LEU 49 + H ALA 52 OK 68 68 100 100 4.8-5.3 4.6/6645=39, 9240/2.9=37...(36) HB2 GLN 27 - H ALA 52 far 4 76 5 - 4.9-27.7 Violated in 4 structures by 0.02 A. Peak 9250 from nnoeabs.peaks (1.23, 7.71, 113.84 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.98: QG2 THR 54 + H LEU 53 OK 95 97 100 98 3.5-6.0 9263/3.0=74...(10) QG2 THR 65 + H LEU 53 OK 59 100 65 90 4.4-7.4 9440/6662=39...(11) Violated in 3 structures by 0.09 A. Peak 9251 from nnoeabs.peaks (0.66, 7.71, 113.84 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.76: QD2 LEU 62 + H LEU 53 OK 76 96 80 100 3.8-6.6 9232/6662=79...(16) QD2 LEU 100 - H LEU 53 far 0 92 0 - 6.4-13.7 Violated in 17 structures by 0.87 A. Peak 9261 from nnoeabs.peaks (8.00, 7.75, 122.78 ppm; 4.68 A): 2 out of 5 assignments used, quality = 0.90: H VAL 57 + H GLU 55 OK 81 100 100 81 5.2-6.0 4.1/9280=51, 4.1/9279=39...(8) H ALA 52 + H GLU 55 OK 48 65 95 77 4.9-6.2 2.9/9264=44, 2.9/9267=34...(5) H SER 51 - H GLU 55 far 4 87 5 - 6.1-7.8 H THR 18 - H GLU 55 far 0 60 0 - 9.2-40.0 H ALA 16 - H GLU 55 far 0 60 0 - 9.6-40.9 Violated in 18 structures by 0.23 A. Peak 9264 from nnoeabs.peaks (4.15, 7.75, 122.78 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.91: HA ALA 52 + H GLU 55 OK 77 81 100 95 2.8-5.0 11905/3.8=36...(13) HA LEU 53 + H GLU 55 OK 60 68 100 88 3.1-4.1 3.6/6687=65...(9) HA3 GLY 114 - H GLU 55 far 3 60 5 - 4.8-14.6 Violated in 0 structures by 0.00 A. Peak 9266 from nnoeabs.peaks (3.67, 7.75, 122.78 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.98: HD2 PRO 56 + H GLU 55 OK 90 92 100 98 4.6-4.8 4.8=73, 4.8/6693=47...(14) HD3 PRO 56 + H GLU 55 OK 75 76 100 98 4.4-5.1 4.8=73, 4.8/6693=47...(13) Violated in 14 structures by 0.02 A. Peak 9267 from nnoeabs.peaks (1.50, 7.75, 122.78 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.92: QB ALA 52 + H GLU 55 OK 74 81 100 92 3.9-5.5 2.1/9264=50...(10) HB2 LEU 53 + H GLU 55 OK 69 81 100 86 4.5-5.3 4.6/6687=66, 3.0/9264=34...(5) HB2 LEU 49 - H GLU 55 far 0 100 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 9268 from nnoeabs.peaks (2.44, 7.55, 107.70 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.72: HG2 GLU 55 + H THR 54 OK 72 73 100 99 3.3-5.7 4.9/6687=70...(9) HG3 GLN 61 - H THR 54 far 0 60 0 - 8.5-13.2 Violated in 6 structures by 0.07 A. Peak 9279 from nnoeabs.peaks (0.93, 7.75, 122.78 ppm; 4.14 A): 2 out of 11 assignments used, quality = 0.82: QG1 VAL 57 + H GLU 55 OK 76 89 90 95 4.7-6.0 2.1/9280=57...(10) QD1 LEU 123 + H GLU 55 OK 26 100 55 47 4.3-8.0 9275/6690=23...(7) QD1 LEU 119 - H GLU 55 poor 14 97 40 35 3.8-12.4 2.1/10281=13...(7) QD1 LEU 62 - H GLU 55 far 9 87 10 - 5.1-9.7 QG1 VAL 20 - H GLU 55 far 0 73 0 - 6.2-31.3 QD1 LEU 49 - H GLU 55 far 0 85 0 - 6.4-8.7 QG2 VAL 112 - H GLU 55 far 0 99 0 - 7.6-16.3 QD2 LEU 48 - H GLU 55 far 0 76 0 - 7.6-11.4 QG1 VAL 126 - H GLU 55 far 0 71 0 - 8.1-12.2 QD1 LEU 48 - H GLU 55 far 0 99 0 - 9.0-10.9 QG2 VAL 63 - H GLU 55 far 0 81 0 - 9.9-12.6 Violated in 19 structures by 0.62 A. Peak 9280 from nnoeabs.peaks (0.84, 7.75, 122.78 ppm; 4.78 A): 1 out of 3 assignments used, quality = 0.78: QG2 VAL 57 + H GLU 55 OK 78 81 100 96 3.4-4.6 2.1/9279=58...(12) QD2 LEU 22 - H GLU 55 far 0 100 0 - 9.2-30.3 QD2 LEU 69 - H GLU 55 far 0 63 0 - 9.5-14.6 Violated in 0 structures by 0.00 A. Peak 9335 from nnoeabs.peaks (3.98, 6.60, 111.09 ppm; 5.04 A): 0 out of 6 assignments used, quality = 0.00: HB3 SER 106 - HD21 ASN 59 poor 20 99 20 - 2.7-13.1 HB2 SER 106 - HD21 ASN 59 poor 17 87 20 - 3.0-13.0 HA SER 60 - HD21 ASN 59 poor 16 71 80 27 4.2-7.7 10978/9343=21...(3) HA LEU 100 - HD21 ASN 59 poor 11 76 35 40 6.0-9.0 3370/9340=12...(6) HB3 SER 107 - HD21 ASN 59 far 4 73 5 - 6.5-11.8 HB3 SER 99 - HD21 ASN 59 far 0 81 0 - 8.4-12.6 Violated in 10 structures by 0.18 A. Peak 9338 from nnoeabs.peaks (4.45, 8.66, 113.17 ppm; 4.66 A): 1 out of 7 assignments used, quality = 0.99: HA PRO 58 + H SER 60 OK 99 100 100 99 3.9-4.4 6709/6736=76...(14) HA VAL 112 - H SER 60 lone 0 57 40 1 5.1-16.0 HB THR 54 - H SER 50 far 0 86 0 - 6.2-10.6 HA THR 54 - H SER 50 far 0 54 0 - 7.7-10.3 HA SER 106 - H SER 60 far 0 99 0 - 7.8-15.5 HA ASP 64 - H SER 60 far 0 99 0 - 7.9-8.9 HA ASN 120 - H SER 50 far 0 56 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 9339 from nnoeabs.peaks (1.95, 6.60, 122.23 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9340 from nnoeabs.peaks (1.57, 6.60, 111.09 ppm; 5.01 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 103 + HD21 ASN 59 OK 97 97 100 100 1.9-5.2 2.1/11424=88, 11428=79...(14) HB2 LEU 103 + HD21 ASN 59 OK 91 97 95 99 4.3-8.0 3.2/11424=75...(12) HB2 LEU 119 - HD21 ASN 59 far 4 81 5 - 6.2-14.1 HG LEU 123 - HD21 ASN 59 far 0 100 0 - 9.0-17.1 Violated in 1 structures by 0.01 A. Peak 9341 from nnoeabs.peaks (1.41, 6.60, 111.09 ppm; 5.65 A): 2 out of 9 assignments used, quality = 0.67: QB ALA 109 + HD21 ASN 59 OK 48 81 60 99 2.8-10.9 9356/3.5=77...(13) QB ALA 108 + HD21 ASN 59 OK 37 71 55 94 1.7-11.9 2.9/11482=84...(9) QB ALA 110 - HD21 ASN 59 poor 16 65 25 - 3.6-11.6 HG2 LYS 26 - HD21 ASN 59 far 4 76 5 - 6.5-23.3 QB ALA 15 - HD21 ASN 59 far 3 65 5 - 7.1-36.1 HG3 LYS 26 - HD21 ASN 59 far 0 63 0 - 8.0-23.8 QB ALA 29 - HD21 ASN 59 far 0 60 0 - 8.0-14.6 QB ALA 28 - HD21 ASN 59 far 0 68 0 - 8.0-17.4 QB ALA 16 - HD21 ASN 59 far 0 100 0 - 8.8-33.3 Violated in 7 structures by 1.00 A. Peak 9342 from nnoeabs.peaks (0.91, 6.60, 111.09 ppm; 4.44 A): 3 out of 10 assignments used, quality = 1.00: QG2 VAL 63 + HD21 ASN 59 OK 97 100 100 97 1.8-3.7 10967/3.5=57...(16) QD1 LEU 62 + HD21 ASN 59 OK 78 100 85 92 2.4-6.8 9388/4.4=55...(11) QG1 VAL 118 + HD21 ASN 59 OK 33 93 60 59 4.4-10.1 11612/11424=18...(8) QG2 VAL 112 - HD21 ASN 59 poor 9 97 40 23 4.0-11.5 11548/9341=12...(4) QD1 LEU 119 - HD21 ASN 59 poor 8 63 50 25 4.5-10.2 ~9348=6, 2.1/9343=6...(6) QD2 LEU 123 - HD21 ASN 59 far 0 60 0 - 8.1-13.8 QD1 LEU 123 - HD21 ASN 59 far 0 93 0 - 9.2-16.0 QD1 LEU 22 - HD21 ASN 59 far 0 85 0 - 9.4-28.9 QD1 LEU 49 - HD21 ASN 59 far 0 100 0 - 9.4-13.3 QD2 LEU 48 - HD21 ASN 59 far 0 100 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 9343 from nnoeabs.peaks (0.79, 6.60, 111.09 ppm; 3.88 A): 2 out of 9 assignments used, quality = 0.99: QD1 LEU 103 + HD21 ASN 59 OK 99 99 100 100 1.8-4.7 11424=70, 11427/1.7=62...(14) QG1 VAL 63 + HD21 ASN 59 OK 53 99 65 82 3.5-5.9 2.1/9342=25, 9348/1.7=19...(12) QD2 LEU 119 - HD21 ASN 59 poor 12 96 40 30 3.6-12.3 9348/1.7=7, 10700/4.4=7...(8) QD1 LEU 122 - HD21 ASN 59 far 0 87 0 - 5.8-11.3 QD2 LEU 122 - HD21 ASN 59 far 0 100 0 - 6.0-10.6 QD1 LEU 53 - HD21 ASN 59 far 0 100 0 - 6.3-13.9 QD1 LEU 70 - HD21 ASN 59 far 0 57 0 - 8.3-12.3 QD2 LEU 49 - HD21 ASN 59 far 0 99 0 - 9.5-12.5 QD1 ILE 32 - HD21 ASN 59 far 0 96 0 - 9.5-16.4 Violated in 0 structures by 0.00 A. Peak 9346 from nnoeabs.peaks (1.39, 7.79, 111.09 ppm; 6.80 A): 2 out of 10 assignments used, quality = 0.91: QB ALA 109 + HD22 ASN 59 OK 80 100 80 100 1.8-9.8 9349/6720=78...(12) QB ALA 108 + HD22 ASN 59 OK 58 100 60 97 3.1-10.8 ~11482=84, 9341/1.7=29...(9) HB3 LEU 100 - HD22 ASN 59 poor 19 97 20 - 7.4-10.3 QB ALA 29 - HD22 ASN 59 far 10 98 10 - 7.4-15.9 QB ALA 110 - HD22 ASN 59 lone 5 99 60 9 4.2-10.9 11496/9347=3, 9356/3.5=2 QB ALA 28 - HD22 ASN 59 far 5 99 5 - 6.7-18.3 QB ALA 15 - HD22 ASN 59 far 5 99 5 - 7.1-37.4 HG2 LYS 24 - HD22 ASN 59 far 0 97 0 - 8.6-32.1 QB ALA 16 - HD22 ASN 59 far 0 92 0 - 8.6-34.1 HG3 LYS 26 - HD22 ASN 59 far 0 99 0 - 8.7-24.7 Violated in 6 structures by 0.37 A. Peak 9347 from nnoeabs.peaks (0.91, 7.79, 111.09 ppm; 5.12 A): 4 out of 9 assignments used, quality = 1.00: QG2 VAL 63 + HD22 ASN 59 OK 98 100 100 98 1.8-4.7 10967/3.5=72...(14) QD1 LEU 62 + HD22 ASN 59 OK 83 100 85 97 2.0-7.7 9388/4.4=71...(10) QG1 VAL 118 + HD22 ASN 59 OK 27 93 55 53 4.9-9.9 11612/11427=23...(6) QG2 VAL 112 + HD22 ASN 59 OK 21 97 45 47 2.7-12.3 11564/11787=29...(5) QD1 LEU 119 - HD22 ASN 59 poor 19 63 70 43 3.4-8.8 11506/11787=17...(9) QD2 LEU 123 - HD22 ASN 59 far 0 60 0 - 7.6-12.6 QD1 LEU 22 - HD22 ASN 59 far 0 85 0 - 8.1-30.1 QD1 LEU 123 - HD22 ASN 59 far 0 93 0 - 9.0-14.7 QD1 LEU 49 - HD22 ASN 59 far 0 100 0 - 9.1-13.4 Violated in 0 structures by 0.00 A. Peak 9348 from nnoeabs.peaks (0.78, 7.79, 111.09 ppm; 4.56 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HD22 ASN 59 OK 100 100 100 100 1.9-4.3 11427=100, 11424/1.7=84...(15) QG1 VAL 63 + HD22 ASN 59 OK 62 100 75 82 3.3-7.2 9343/1.7=30, 2.1/9347=25...(10) QD2 LEU 119 + HD22 ASN 59 OK 21 90 60 39 4.6-10.9 10700/4.4=9, 9355/3.5=8...(10) QD2 LEU 122 - HD22 ASN 59 far 5 100 5 - 6.0-10.2 QD1 LEU 122 - HD22 ASN 59 far 0 78 0 - 6.2-10.1 QD1 LEU 53 - HD22 ASN 59 far 0 98 0 - 6.4-14.8 QD2 LEU 49 - HD22 ASN 59 far 0 96 0 - 8.8-12.7 QD1 ILE 32 - HD22 ASN 59 far 0 99 0 - 9.2-17.2 Violated in 0 structures by 0.00 A. Peak 9349 from nnoeabs.peaks (1.39, 8.89, 122.23 ppm; 4.74 A): 1 out of 10 assignments used, quality = 0.47: QB ALA 109 + H ASN 59 OK 47 100 50 94 1.9-13.7 10925/6709=54...(10) QB ALA 110 - H ASN 59 poor 20 100 20 - 1.9-14.9 QB ALA 108 - H ASN 59 poor 20 100 20 - 4.2-14.1 QB ALA 16 - H ASN 59 far 4 85 5 - 5.2-33.2 QB ALA 12 - H ASN 59 far 0 68 0 - 6.8-37.2 HG2 LYS 19 - H ASN 59 far 0 81 0 - 7.6-40.4 QB ALA 28 - H ASN 59 far 0 100 0 - 7.7-20.7 QB ALA 29 - H ASN 59 far 0 100 0 - 8.0-16.5 HG3 LYS 26 - H ASN 59 far 0 100 0 - 8.4-25.0 QB ALA 15 - H ASN 59 far 0 100 0 - 8.6-36.9 Violated in 14 structures by 2.77 A. Peak 9350 from nnoeabs.peaks (0.89, 8.89, 122.23 ppm; 4.86 A): 2 out of 9 assignments used, quality = 0.94: QD1 LEU 62 + H ASN 59 OK 76 76 100 100 4.4-6.0 9388/2.9=56, ~11000=45...(30) QG2 VAL 63 + H ASN 59 OK 75 83 100 91 4.5-5.9 10967/6717=48...(14) QG2 VAL 57 - H ASN 59 poor 16 63 70 36 5.7-6.5 2.1/6713=14...(4) QG1 VAL 118 - H ASN 59 far 0 98 0 - 7.5-13.5 QD1 LEU 22 - H ASN 59 far 0 100 0 - 7.6-29.7 QG2 VAL 20 - H ASN 59 far 0 100 0 - 8.1-29.3 QD2 LEU 123 - H ASN 59 far 0 99 0 - 8.8-13.0 QD2 LEU 48 - H ASN 59 far 0 87 0 - 9.0-16.0 QG1 VAL 20 - H ASN 59 far 0 89 0 - 9.7-31.7 Violated in 3 structures by 0.04 A. Peak 9369 from nnoeabs.peaks (1.48, 7.56, 111.48 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 52 + HE22 GLN 61 OK 99 100 100 99 2.0-5.2 9312/9371=73...(8) HB2 LEU 49 - HE22 GLN 61 lone 2 93 55 4 4.5-10.8 Violated in 0 structures by 0.00 A. Peak 9371 from nnoeabs.peaks (0.94, 7.56, 111.48 ppm; 4.16 A): 1 out of 14 assignments used, quality = 0.96: QG1 VAL 57 + HE22 GLN 61 OK 96 97 100 99 2.0-4.3 9376/1.7=71, 9377/3.5=49...(16) QD1 LEU 62 - HE22 GLN 61 poor 18 73 25 - 4.8-8.1 QD1 LEU 123 - HE22 GLN 61 far 10 97 10 - 3.9-12.3 QD1 LEU 48 - HE22 GLN 61 far 9 93 10 - 5.4-10.6 QD2 LEU 53 - HE22 GLN 61 poor 9 60 35 43 3.2-10.3 9256/3.5=21, 10937/3.5=8...(9) QD1 LEU 119 - HE22 GLN 61 far 5 100 5 - 5.5-13.8 QD1 LEU 49 - HE22 GLN 61 far 4 71 5 - 5.5-11.4 QD2 LEU 48 - HE22 GLN 61 lone 3 60 40 13 3.3-11.2 9231/9369=12 QG2 VAL 126 - HE22 GLN 61 far 0 68 0 - 6.6-14.0 QG2 VAL 63 - HE22 GLN 61 far 0 65 0 - 7.3-9.7 QG1 VAL 126 - HE22 GLN 61 far 0 85 0 - 7.9-13.1 QG2 ILE 37 - HE22 GLN 61 far 0 100 0 - 8.5-20.5 QG2 VAL 112 - HE22 GLN 61 far 0 93 0 - 8.8-18.3 QG1 VAL 112 - HE22 GLN 61 far 0 57 0 - 9.5-16.3 Violated in 1 structures by 0.01 A. Peak 9375 from nnoeabs.peaks (1.48, 6.88, 111.48 ppm; 6.17 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 52 + HE21 GLN 61 OK 100 100 100 100 1.9-5.0 9369/1.7=89...(7) HB2 LEU 49 - HE21 GLN 61 lone 1 78 40 4 5.1-10.9 9369/1.7=2 Violated in 0 structures by 0.00 A. Peak 9376 from nnoeabs.peaks (0.94, 6.88, 111.48 ppm; 4.09 A): 1 out of 12 assignments used, quality = 0.98: QG1 VAL 57 + HE21 GLN 61 OK 98 99 100 99 1.9-3.3 9371/1.7=66, 9377/3.5=50...(14) QD1 LEU 123 - HE21 GLN 61 far 14 93 15 - 5.0-13.1 QD2 LEU 53 - HE21 GLN 61 poor 9 71 30 43 2.9-11.2 9256/3.5=26, 10937/3.5=9...(7) QD1 LEU 119 - HE21 GLN 61 far 5 100 5 - 5.6-14.7 QD1 LEU 62 - HE21 GLN 61 far 3 63 5 - 4.6-9.2 QD1 LEU 48 - HE21 GLN 61 far 0 87 0 - 5.7-10.8 QD1 LEU 49 - HE21 GLN 61 far 0 60 0 - 5.8-11.1 QG2 VAL 126 - HE21 GLN 61 far 0 78 0 - 7.6-14.1 QG2 VAL 112 - HE21 GLN 61 far 0 87 0 - 8.3-17.5 QG1 VAL 112 - HE21 GLN 61 far 0 68 0 - 8.6-15.6 QG1 VAL 126 - HE21 GLN 61 far 0 92 0 - 8.8-14.2 QG2 ILE 37 - HE21 GLN 61 far 0 99 0 - 9.5-21.8 Violated in 0 structures by 0.00 A. Peak 9380 from nnoeabs.peaks (0.84, 7.56, 111.48 ppm; 6.01 A): 1 out of 4 assignments used, quality = 0.85: QG2 VAL 57 + HE22 GLN 61 OK 85 85 100 100 2.2-5.5 2.1/9371=89, 9381/1.7=84...(14) QD2 LEU 22 - HE22 GLN 61 far 5 100 5 - 4.2-24.6 QD2 LEU 69 - HE22 GLN 61 far 3 68 5 - 6.0-13.6 QG2 ILE 32 - HE22 GLN 61 far 0 97 0 - 7.9-17.4 Violated in 0 structures by 0.00 A. Peak 9381 from nnoeabs.peaks (0.84, 6.88, 111.48 ppm; 6.03 A): 1 out of 4 assignments used, quality = 0.85: QG2 VAL 57 + HE21 GLN 61 OK 85 85 100 100 2.4-5.3 2.1/9376=92, 9380/1.7=84...(14) QD2 LEU 22 - HE21 GLN 61 far 5 100 5 - 4.6-25.4 QD2 LEU 69 - HE21 GLN 61 far 3 68 5 - 6.9-15.0 QG2 ILE 32 - HE21 GLN 61 far 0 97 0 - 8.7-18.8 Violated in 0 structures by 0.00 A. Peak 9396 from nnoeabs.peaks (1.16, 8.20, 118.17 ppm; 5.62 A): 1 out of 4 assignments used, quality = 0.95: HB3 LEU 62 + H VAL 63 OK 95 95 100 100 2.1-3.0 4.5=100 QG2 THR 115 - H VAL 63 far 0 76 0 - 7.4-13.5 QG2 THR 18 - H VAL 63 far 0 93 0 - 7.8-31.3 HG12 ILE 32 - H VAL 63 far 0 100 0 - 8.5-17.6 Violated in 0 structures by 0.00 A. Peak 9409 from nnoeabs.peaks (1.39, 7.96, 120.19 ppm; 5.97 A): 2 out of 12 assignments used, quality = 0.61: QB ALA 108 + H ASP 64 OK 49 98 50 100 2.1-14.2 11883/2.9=100...(8) QB ALA 109 + H ASP 64 OK 23 100 45 51 4.6-16.0 10971/4.4=26...(6) QB ALA 110 - H ASP 64 far 10 97 10 - 6.2-17.6 HG3 LYS 31 - H ASP 64 far 5 100 5 - 7.1-19.5 HG3 LYS 26 - H ASP 64 far 5 96 5 - 3.5-21.6 HG2 LYS 24 - H ASP 64 far 5 93 5 - 5.5-25.2 QB ALA 29 - H ASP 64 lone 4 95 45 10 4.2-12.0 10739/6825=7, 11794/2.9=1 QB ALA 28 - H ASP 64 lone 1 97 25 3 4.4-17.0 11541/6825=1 HB3 LEU 100 - H ASP 64 far 0 93 0 - 7.5-9.4 QB ALA 16 - H ASP 64 far 0 97 0 - 9.4-28.1 QB ALA 15 - H ASP 64 far 0 97 0 - 9.5-31.5 QB ALA 34 - H ASP 64 far 0 71 0 - 9.5-18.4 Violated in 10 structures by 2.11 A. Peak 9410 from nnoeabs.peaks (2.10, 7.96, 120.19 ppm; 3.86 A): 0 out of 5 assignments used, quality = 0.00: HB2 GLN 61 - H ASP 64 far 0 100 0 - 5.5-6.1 HB3 GLN 61 - H ASP 64 far 0 100 0 - 5.6-6.1 HG3 PRO 58 - H ASP 64 far 0 60 0 - 6.9-9.1 HB VAL 57 - H ASP 64 far 0 97 0 - 7.7-8.9 HB VAL 112 - H ASP 64 far 0 89 0 - 7.8-20.0 Violated in 20 structures by 1.15 A. Peak 9415 from nnoeabs.peaks (0.90, 8.38, 118.14 ppm; 4.19 A): 3 out of 19 assignments used, quality = 0.91: QG2 VAL 63 + H THR 65 OK 76 96 80 99 5.3-5.8 3.7/6835=51, 2.1/9427=48...(21) QD1 LEU 62 + H THR 65 OK 42 92 50 92 4.6-6.8 2.1/9417=33, 4.1/1969=30...(17) QD2 LEU 48 + H THR 65 OK 35 97 45 80 4.8-9.8 10957/4.0=46...(8) QD2 LEU 123 - H THR 65 poor 15 93 25 64 4.5-9.0 11510/4.0=34...(8) QD1 LEU 48 - H THR 65 poor 15 71 30 70 4.9-11.6 ~9418=25, 11848/4.0=21...(8) QD2 LEU 69 - H THR 65 far 6 60 10 - 5.0-9.0 QG2 VAL 20 - H THR 65 far 5 99 5 - 4.8-22.9 QG2 VAL 20 - H ASP 35 far 0 96 0 - 5.8-25.0 QG1 VAL 20 - H ASP 35 far 0 94 0 - 6.0-25.4 QD1 LEU 49 - H THR 65 far 0 93 0 - 6.3-8.1 QG1 VAL 20 - H THR 65 far 0 98 0 - 6.4-25.3 QD1 LEU 123 - H THR 65 far 0 60 0 - 6.6-11.6 QG1 VAL 118 - H THR 65 far 0 100 0 - 7.2-13.4 QD1 LEU 22 - H ASP 35 far 0 97 0 - 7.2-26.6 QD2 LEU 48 - H ASP 35 far 0 93 0 - 7.5-16.8 QD2 LEU 69 - H ASP 35 far 0 56 0 - 7.9-13.6 QD1 LEU 22 - H THR 65 far 0 100 0 - 8.7-22.2 QD1 LEU 48 - H ASP 35 far 0 66 0 - 9.3-15.3 QG2 VAL 112 - H THR 65 far 0 71 0 - 9.4-18.3 Violated in 20 structures by 0.46 A. Peak 9416 from nnoeabs.peaks (0.79, 8.38, 118.14 ppm; 4.11 A): 3 out of 16 assignments used, quality = 1.00: QG1 VAL 63 + H THR 65 OK 99 99 100 100 4.4-5.3 10980/3.6=53...(22) QD1 ILE 37 + H ASP 35 OK 76 93 85 96 4.2-6.6 10792/6380=65...(16) QD2 LEU 49 + H THR 65 OK 49 99 60 83 4.7-6.6 9431/4.0=33...(16) QD1 LEU 122 - H THR 65 poor 17 87 20 - 4.0-8.8 QD1 LEU 53 - H THR 65 far 15 100 15 - 4.2-11.6 QD1 ILE 32 - H THR 65 poor 13 96 25 55 2.9-12.6 10846/4.6=36...(7) QD2 LEU 122 - H THR 65 far 5 100 5 - 4.9-8.5 QD1 ILE 37 - H THR 65 far 5 97 5 - 4.9-14.0 QD1 ILE 32 - H ASP 35 far 0 91 0 - 5.7-8.9 QD2 LEU 119 - H THR 65 far 0 96 0 - 6.4-14.7 QD1 LEU 103 - H THR 65 far 0 99 0 - 6.8-10.5 QD1 LEU 70 - H THR 65 far 0 57 0 - 7.1-9.8 QD1 LEU 96 - H THR 65 far 0 89 0 - 8.2-10.2 QD1 LEU 70 - H ASP 35 far 0 53 0 - 9.1-16.1 QG2 ILE 80 - H ASP 35 far 0 66 0 - 9.2-19.8 QD1 LEU 96 - H ASP 35 far 0 84 0 - 9.9-15.9 Violated in 11 structures by 0.10 A. Peak 9417 from nnoeabs.peaks (0.67, 8.38, 118.14 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 62 + H THR 65 OK 98 100 100 98 4.0-4.9 9384/3.5=48, 3.9/1969=44...(15) QD2 LEU 100 + H THR 65 OK 71 100 75 95 4.6-8.4 ~10045=38, ~11032=35...(16) Violated in 0 structures by 0.00 A. Peak 9427 from nnoeabs.peaks (2.01, 8.38, 118.14 ppm; 5.27 A): 1 out of 10 assignments used, quality = 0.98: HB VAL 63 + H THR 65 OK 98 98 100 100 4.9-5.5 6812/6835=74...(17) HB3 GLU 30 - H THR 65 far 15 99 15 - 5.7-19.5 HB2 GLU 44 - H ASP 35 far 0 92 0 - 7.3-14.1 HB3 LEU 53 - H THR 65 far 0 85 0 - 7.3-13.0 HB VAL 20 - H THR 65 far 0 97 0 - 7.5-29.0 HB VAL 20 - H ASP 35 far 0 92 0 - 7.9-28.8 HG2 PRO 58 - H THR 65 far 0 93 0 - 8.4-10.6 HB3 GLU 30 - H ASP 35 far 0 96 0 - 9.4-14.2 HB3 MET 11 - H ASP 35 far 0 93 0 - 9.5-34.2 HB3 GLU 40 - H ASP 35 far 0 71 0 - 9.8-15.0 Violated in 6 structures by 0.04 A. Peak 9433 from nnoeabs.peaks (0.89, 8.90, 110.50 ppm; 4.00 A): 5 out of 10 assignments used, quality = 0.97: QG2 VAL 63 + H GLY 66 OK 78 90 95 91 4.8-5.6 3.2/2019=38, 2.1/9434=24...(19) QD1 LEU 62 + H GLY 66 OK 55 85 70 92 3.6-6.3 2.1/9384=46, 4.1/6847=29...(21) QD2 LEU 123 + H GLY 66 OK 39 97 55 73 2.7-7.5 11510/4.4=30...(17) QD2 LEU 69 + H GLY 66 OK 27 71 45 85 3.7-7.8 11044/4.4=23...(18) QD1 LEU 49 + H GLY 66 OK 27 87 35 88 4.9-7.1 10966/4.4=39...(15) QD2 LEU 48 - H GLY 66 poor 19 93 20 - 5.2-9.6 QD1 LEU 48 - H GLY 66 poor 15 60 25 - 4.4-11.3 QG1 VAL 118 - H GLY 66 far 5 100 5 - 5.4-11.6 QG2 VAL 20 - H GLY 66 far 0 100 0 - 5.8-24.0 QG1 VAL 20 - H GLY 66 far 0 95 0 - 6.6-26.5 Violated in 8 structures by 0.12 A. Peak 9434 from nnoeabs.peaks (0.80, 8.90, 110.50 ppm; 3.96 A): 4 out of 11 assignments used, quality = 0.99: QD2 LEU 49 + H GLY 66 OK 91 100 100 92 3.2-5.0 9208/2.9=32, 9208/2.9=31...(19) QG1 VAL 63 + H GLY 66 OK 85 89 100 96 4.2-5.3 3.2/2019=38...(24) QD1 LEU 122 + H GLY 66 OK 37 99 60 62 2.2-7.0 11110/4.4=35...(14) QD2 LEU 122 + H GLY 66 OK 33 95 70 51 2.9-6.5 11492/10045=13...(16) QD1 LEU 70 - H GLY 66 far 13 85 15 - 5.2-8.0 QD1 LEU 53 - H GLY 66 poor 10 99 45 22 2.4-10.7 9431/4.4=6, 10994/6847=5...(7) QD1 ILE 32 - H GLY 66 far 8 76 10 - 4.2-11.5 QD2 LEU 119 - H GLY 66 far 0 100 0 - 5.6-13.3 QD1 ILE 37 - H GLY 66 far 0 81 0 - 5.8-13.5 QD1 LEU 103 - H GLY 66 far 0 87 0 - 6.0-9.8 QD1 LEU 96 - H GLY 66 far 0 63 0 - 6.2-8.3 Violated in 1 structures by 0.00 A. Peak 9435 from nnoeabs.peaks (0.67, 8.90, 110.50 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 62 + H GLY 66 OK 99 100 100 99 2.5-4.0 9384=65, 3.9/6847=34...(22) QD2 LEU 100 + H GLY 66 OK 78 100 80 98 2.9-7.1 2.1/10045=52, 9384=34...(23) Violated in 0 structures by 0.00 A. Peak 9447 from nnoeabs.peaks (3.64, 8.38, 118.14 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: HA3 GLY 66 + H THR 65 OK 96 97 100 98 4.6-5.1 3.6/6845=92...(12) HA2 GLY 66 + H THR 65 OK 90 92 100 98 4.8-5.4 3.6/6845=92...(11) HD2 PRO 58 - H THR 65 far 0 71 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 9452 from nnoeabs.peaks (2.22, 8.65, 120.06 ppm; 5.18 A): 3 out of 6 assignments used, quality = 1.00: HB2 GLN 68 + H HIS 67 OK 98 100 100 99 4.3-5.4 3.7/6872=84, 4.4/6915=52...(12) HG2 GLN 68 + H HIS 67 OK 97 98 100 99 4.2-6.2 2150/6872=79...(19) HB3 GLN 104 + H HIS 67 OK 23 100 40 58 3.8-9.9 10025/9461=25...(10) HB3 LEU 96 - H HIS 67 far 0 93 0 - 6.8-10.7 HB2 GLN 101 - H HIS 67 far 0 90 0 - 7.5-10.6 HB3 GLU 97 - H HIS 67 far 0 99 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 9458 from nnoeabs.peaks (1.69, 8.65, 120.06 ppm; 4.83 A): 3 out of 8 assignments used, quality = 0.95: HB2 LEU 69 + H HIS 67 OK 67 78 90 95 4.9-7.4 3.7/6915=51...(10) HB2 LEU 70 + H HIS 67 OK 60 81 75 100 4.3-7.0 3.2/11100=63, ~9462=42...(27) HB3 LEU 70 + H HIS 67 OK 59 73 80 100 4.4-6.9 3.2/11100=63, ~9462=42...(26) HD2 LYS 36 - H HIS 67 far 0 81 0 - 7.6-14.5 HD3 LYS 36 - H HIS 67 far 0 81 0 - 7.8-15.5 HD2 LYS 39 - H HIS 8 far 0 67 0 - 8.1-55.7 HG LEU 48 - H HIS 67 far 0 76 0 - 8.5-14.6 HD3 LYS 39 - H HIS 8 far 0 50 0 - 9.2-55.1 Violated in 4 structures by 0.04 A. Peak 9460 from nnoeabs.peaks (0.80, 8.65, 120.06 ppm; 4.00 A): 4 out of 12 assignments used, quality = 0.99: QG1 VAL 63 + H HIS 67 OK 91 95 100 96 2.8-4.0 10973/11037=38...(18) QD1 LEU 70 + H HIS 67 OK 67 76 90 99 4.0-6.8 11088/2.9=42, ~11089=38...(25) QD2 LEU 49 + H HIS 67 OK 55 100 65 84 4.7-6.6 9208/3.6=28, 9208/3.6=27...(15) QD2 LEU 122 + H HIS 67 OK 44 98 65 70 3.9-6.6 9258/3.8=36...(16) QD1 LEU 122 - H HIS 67 poor 20 97 40 51 2.4-7.6 9487/11037=14...(14) QD1 LEU 53 - H HIS 67 far 15 100 15 - 4.6-12.5 QD1 ILE 32 - H HIS 67 poor 8 85 30 30 4.2-9.7 11056/6915=9...(8) QD1 LEU 103 - H HIS 67 far 5 93 5 - 5.3-9.5 QD1 LEU 96 - H HIS 67 far 0 73 0 - 5.5-7.4 QD1 ILE 37 - H HIS 67 far 0 89 0 - 6.3-12.5 QD2 LEU 119 - H HIS 67 far 0 100 0 - 6.8-13.5 QD1 ILE 37 - H HIS 8 far 0 61 0 - 7.1-38.3 Violated in 0 structures by 0.00 A. Peak 9461 from nnoeabs.peaks (0.68, 8.65, 120.06 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 100 + H HIS 67 OK 100 100 100 100 2.6-5.4 2.1/11037=67...(21) QD2 LEU 62 + H HIS 67 OK 86 100 95 91 4.3-5.9 10990=54, 9384/6864=37...(10) QD1 LEU 43 - H HIS 8 far 0 59 0 - 7.8-46.0 Violated in 1 structures by 0.01 A. Peak 9474 from nnoeabs.peaks (0.81, 7.86, 121.44 ppm; 5.16 A): 4 out of 13 assignments used, quality = 1.00: QD1 LEU 70 + H GLN 68 OK 90 97 95 97 5.1-7.1 11088/3.6=79...(13) QD2 LEU 49 + H GLN 68 OK 75 96 90 87 4.6-7.1 1572/6893=29...(13) QG2 ILE 80 + H ALA 88 OK 58 79 85 86 5.9-7.2 9753/7148=40...(14) QG1 VAL 63 + H GLN 68 OK 55 68 100 81 4.7-5.6 10980/6875=32...(10) QD2 LEU 122 - H GLN 68 poor 16 78 30 70 6.2-8.2 9258/6883=49...(10) QD1 LEU 122 - H GLN 68 poor 13 100 25 53 4.7-9.5 11110/11029=18...(11) QD1 LEU 53 - H GLN 68 far 9 92 10 - 5.9-13.6 QG2 ILE 129 - H ALA 88 far 7 72 10 - 6.1-8.0 HG13 ILE 80 - H ALA 88 far 0 69 0 - 7.0-8.8 QG1 VAL 133 - H ALA 88 far 0 44 0 - 7.2-9.3 QD1 LEU 103 - H GLN 68 far 0 65 0 - 7.7-11.5 QD2 LEU 119 - H GLN 68 far 0 99 0 - 9.0-15.5 QG2 ILE 129 - H GLN 68 far 0 95 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 9475 from nnoeabs.peaks (1.23, 7.86, 121.44 ppm; 6.21 A): 2 out of 3 assignments used, quality = 1.00: QG2 THR 65 + H GLN 68 OK 100 100 100 100 4.9-5.4 11016/6890=88...(16) QG2 THR 83 + H ALA 88 OK 75 75 100 99 5.4-6.6 11240/7170=82...(7) HG12 ILE 80 - H ALA 88 poor 15 62 25 - 5.9-9.5 Violated in 0 structures by 0.00 A. Peak 9476 from nnoeabs.peaks (1.14, 7.86, 121.70 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 132 + H ALA 88 OK 95 100 95 100 4.5-6.2 9861/7185=44...(27) QG1 VAL 132 + H ALA 88 OK 89 99 90 99 3.5-5.9 10533/7185=56...(25) HG12 ILE 32 - H GLN 68 far 5 48 10 - 4.0-11.3 HB3 LEU 62 - H GLN 68 far 0 77 0 - 8.9-10.0 Violated in 5 structures by 0.10 A. Peak 9477 from nnoeabs.peaks (1.98, 7.86, 121.70 ppm; 4.96 A): 2 out of 7 assignments used, quality = 0.98: HB2 GLU 91 + H ALA 88 OK 93 93 100 100 4.6-5.4 2860/2.9=74...(27) HB3 LYS 86 + H ALA 88 OK 64 68 100 93 5.2-6.2 4.6/7170=67, 4.0/7148=43...(10) HB ILE 37 - H GLN 68 far 4 72 5 - 5.3-14.9 HB2 GLU 30 - H GLN 68 far 2 50 5 - 6.1-15.9 HG2 PRO 81 - H ALA 88 far 0 87 0 - 7.3-10.1 HB2 GLN 27 - H GLN 68 far 0 67 0 - 8.5-16.7 HB ILE 129 - H ALA 88 far 0 78 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 9483 from nnoeabs.peaks (2.20, 8.46, 121.15 ppm; 4.88 A): 2 out of 7 assignments used, quality = 0.97: HB3 GLN 68 + H LEU 70 OK 83 83 100 100 4.9-6.1 3.0/6938=76, 3.7/6894=58...(22) HB2 GLN 68 + H LEU 70 OK 80 81 100 100 4.8-6.2 3.0/6938=76, 3.7/6894=58...(24) HB2 GLN 101 - H LEU 70 far 0 99 0 - 7.3-10.2 HB2 GLN 104 - H LEU 70 far 0 98 0 - 7.3-12.6 HB3 GLU 97 - H LEU 70 far 0 87 0 - 7.4-9.6 HB3 GLN 104 - H LEU 70 far 0 73 0 - 8.0-13.6 HB3 GLN 127 - H LEU 70 far 0 63 0 - 9.7-13.9 Violated in 12 structures by 0.14 A. Peak 9491 from nnoeabs.peaks (2.20, 8.14, 121.15 ppm; 5.57 A): 2 out of 6 assignments used, quality = 0.97: HB2 GLN 68 + H ASP 71 OK 85 85 100 100 5.4-6.1 3.0/6956=90, 4.4/6932=62...(31) HB3 GLN 68 + H ASP 71 OK 78 78 100 100 5.2-6.0 3.0/6956=90, 4.4/6932=62...(27) HB2 GLN 101 - H ASP 71 far 5 99 5 - 7.0-10.4 HB3 GLU 97 - H ASP 71 far 0 90 0 - 7.3-9.3 HB2 GLN 104 - H ASP 71 far 0 97 0 - 7.8-13.3 HB3 GLN 104 - H ASP 71 far 0 78 0 - 8.5-14.1 Violated in 0 structures by 0.00 A. Peak 9499 from nnoeabs.peaks (2.80, 8.46, 121.15 ppm; 6.19 A): 1 out of 2 assignments used, quality = 0.96: HB3 ASP 71 + H LEU 70 OK 96 96 100 100 4.4-6.4 2291/3.4=91...(17) HB3 ASP 64 - H LEU 70 far 0 100 0 - 9.1-10.5 Violated in 1 structures by 0.01 A. Peak 9505 from nnoeabs.peaks (3.34, 8.14, 121.15 ppm; 6.79 A): 3 out of 4 assignments used, quality = 1.00: HB2 HIS 67 + H ASP 71 OK 100 100 100 100 5.0-6.3 3.0/6955=93, ~6936=69...(12) HB3 TYR 72 + H ASP 71 OK 99 100 100 99 4.7-6.2 4.4/6970=79, ~6983=77...(10) HB3 CYS 73 + H ASP 71 OK 81 81 100 100 4.8-7.4 3.8/6970=86, 2233/3.6=79...(11) HA VAL 63 - H ASP 71 far 0 73 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 9520 from nnoeabs.peaks (1.50, 8.32, 120.30 ppm; 5.64 A): 2 out of 3 assignments used, quality = 0.97: HG LEU 69 + H TYR 72 OK 86 90 95 100 4.8-7.2 3.7/6973=95, 2.1/9522=92...(24) HG LEU 42 + H TYR 72 OK 81 96 85 100 5.3-7.9 2.1/9524=63...(19) HB2 LEU 49 - H TYR 72 far 0 100 0 - 9.4-12.3 Violated in 4 structures by 0.05 A. Peak 9522 from nnoeabs.peaks (1.02, 8.32, 120.30 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.97: QD1 LEU 69 + H TYR 72 OK 97 97 100 100 4.0-5.0 2208/6973=81...(26) QG2 VAL 133 - H TYR 72 far 0 78 0 - 8.0-10.2 Violated in 3 structures by 0.01 A. Peak 9523 from nnoeabs.peaks (0.81, 8.32, 120.30 ppm; 5.38 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 70 + H TYR 72 OK 100 100 100 100 4.1-6.7 6964/3.4=70, 4.3/6974=66...(25) QG2 ILE 129 + H TYR 72 OK 44 99 50 89 6.3-7.7 11135/2.9=40...(12) QD2 LEU 49 + H TYR 72 OK 22 87 35 71 6.2-8.3 11250/6974=28...(14) QD1 LEU 122 - H TYR 72 far 0 99 0 - 7.3-11.2 QD2 LEU 122 - H TYR 72 far 0 63 0 - 7.6-10.9 QG1 VAL 133 - H TYR 72 far 0 78 0 - 7.8-9.2 QG2 ILE 80 - H TYR 72 far 0 100 0 - 8.3-13.2 QD1 LEU 53 - H TYR 72 far 0 81 0 - 8.9-14.8 Violated in 11 structures by 0.15 A. Peak 9524 from nnoeabs.peaks (0.63, 8.32, 120.30 ppm; 5.38 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + H TYR 72 OK 100 100 100 100 3.7-6.7 9091/3.8=78...(22) QD1 ILE 129 + H TYR 72 OK 34 99 35 98 6.1-9.1 11038/9522=53...(16) Violated in 2 structures by 0.05 A. Peak 9535 from nnoeabs.peaks (7.33, 8.85, 116.83 ppm; 5.68 A): 1 out of 2 assignments used, quality = 0.68: HZ PHE 89 + H CYS 73 OK 68 68 100 100 4.3-5.5 9538/2.9=84, ~11145=65...(11) HE ARG 90 - H CYS 73 far 0 85 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 9555 from nnoeabs.peaks (2.94, 8.85, 116.83 ppm; 3.58 A): 1 out of 7 assignments used, quality = 0.90: * HG CYS 73 + H CYS 73 OK 90 100 100 90 1.9-3.5 9557/7007=36, 5.2=33...(13) HE2 LYS 36 - H CYS 73 far 4 87 5 - 4.9-15.0 HE3 LYS 36 - H CYS 73 far 0 78 0 - 5.7-14.9 HB2 CYS 45 - H CYS 73 far 0 100 0 - 6.4-9.2 HE3 LYS 39 - H CYS 73 far 0 96 0 - 9.4-15.3 HE2 LYS 31 - H CYS 73 far 0 71 0 - 9.5-19.8 HE2 LYS 39 - H CYS 73 far 0 99 0 - 9.8-15.0 Violated in 0 structures by 0.00 A. Peak 9557 from nnoeabs.peaks (2.94, 8.41, 115.94 ppm; 4.43 A): 1 out of 6 assignments used, quality = 0.98: HG CYS 73 + H SER 74 OK 98 100 100 98 1.7-5.2 9555/7007=68...(10) HE2 LYS 36 - H SER 74 far 0 87 0 - 6.9-17.3 HE3 LYS 36 - H SER 74 far 0 78 0 - 8.0-17.3 HE2 LYS 31 - H SER 74 far 0 71 0 - 8.3-22.1 HB2 CYS 45 - H SER 74 far 0 100 0 - 8.8-11.6 HE3 LYS 31 - H SER 74 far 0 63 0 - 9.8-21.9 Violated in 7 structures by 0.08 A. Peak 9561 from nnoeabs.peaks (1.70, 8.85, 116.83 ppm; 6.37 A): 2 out of 5 assignments used, quality = 0.99: HB2 LEU 70 + H CYS 73 OK 95 95 100 100 5.0-6.1 3.0/6989=96, 4.3/6970=73...(19) HB3 LEU 70 + H CYS 73 OK 90 90 100 100 5.0-6.0 3.0/6989=96, 4.3/6970=73...(18) HD3 LYS 36 - H CYS 73 poor 15 60 25 - 6.1-12.7 HD2 LYS 36 - H CYS 73 poor 12 60 20 - 5.4-12.3 HD3 LYS 39 - H CYS 73 far 0 92 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 9562 from nnoeabs.peaks (1.51, 8.85, 116.83 ppm; 5.57 A): 2 out of 3 assignments used, quality = 0.98: HG LEU 69 + H CYS 73 OK 95 100 95 100 4.2-7.1 2.1/11084=87, ~9522=53...(25) HG LEU 42 + H CYS 73 OK 62 65 95 100 3.6-7.6 2.1/9104=76, ~11565=49...(17) HB2 LEU 49 - H CYS 73 far 0 90 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 9563 from nnoeabs.peaks (1.01, 8.85, 116.83 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 69 + H CYS 73 OK 100 100 100 100 3.0-5.4 11084=100, 9522/3.5=61...(33) Violated in 1 structures by 0.01 A. Peak 9564 from nnoeabs.peaks (0.76, 8.85, 116.83 ppm; 4.58 A): 4 out of 8 assignments used, quality = 1.00: QG1 VAL 93 + H CYS 73 OK 93 93 100 100 3.9-5.4 11422/2.9=58...(21) QD2 LEU 96 + H CYS 73 OK 81 92 95 93 3.9-6.1 11693/9555=42...(15) QD1 LEU 96 + H CYS 73 OK 81 99 95 86 3.9-6.1 9986/3.8=29...(18) QD1 ILE 37 + H CYS 73 OK 54 92 70 84 3.8-8.7 10749/3.6=38...(13) QD1 ILE 32 - H CYS 73 far 5 95 5 - 4.3-11.8 HG12 ILE 129 - H CYS 73 far 0 93 0 - 6.2-9.0 QD2 LEU 43 - H CYS 73 far 0 98 0 - 7.0-9.7 QD2 LEU 122 - H CYS 73 far 0 76 0 - 7.1-11.1 Violated in 0 structures by 0.00 A. Peak 9565 from nnoeabs.peaks (0.63, 8.85, 116.83 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + H CYS 73 OK 95 100 95 100 2.3-6.5 9104=59, 9091/4.4=57...(23) QD1 ILE 129 + H CYS 73 OK 93 99 95 100 4.4-7.5 11709/6989=49...(26) Violated in 1 structures by 0.02 A. Peak 9566 from nnoeabs.peaks (0.29, 8.85, 116.83 ppm; 5.56 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 93 + H CYS 73 OK 99 99 100 100 4.3-5.2 11328=96, 9955/2.9=90...(23) QD1 ILE 80 - H CYS 73 far 3 65 5 - 7.0-9.7 Violated in 0 structures by 0.00 A. Peak 9575 from nnoeabs.peaks (0.77, 8.41, 115.94 ppm; 4.60 A): 3 out of 9 assignments used, quality = 0.99: QD1 LEU 96 + H SER 74 OK 90 100 100 90 3.4-5.8 9986/4.4=26, 9590/2.9=25...(17) QG1 VAL 93 + H SER 74 OK 80 81 100 99 2.3-4.4 2.1/9576=65...(22) QD2 LEU 96 + H SER 74 OK 70 78 100 90 3.8-5.2 11693/9557=28...(17) QD1 ILE 37 - H SER 74 far 10 99 10 - 5.3-10.6 QD1 ILE 32 - H SER 74 far 5 99 5 - 3.1-13.2 HG12 ILE 129 - H SER 74 far 0 81 0 - 6.2-9.2 QD2 LEU 122 - H SER 74 far 0 90 0 - 7.4-11.6 QD2 LEU 49 - H SER 74 far 0 68 0 - 8.1-9.7 QD2 LEU 43 - H SER 74 far 0 90 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 9576 from nnoeabs.peaks (0.29, 8.41, 115.94 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + H SER 74 OK 100 100 100 100 3.2-3.9 9955/3.6=73, 9959/4.4=56...(24) QD1 ILE 80 - H SER 74 far 0 85 0 - 6.9-9.2 Violated in 0 structures by 0.00 A. Peak 9577 from nnoeabs.peaks (1.04, 8.41, 115.94 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.90: QG1 VAL 77 + H SER 74 OK 76 76 100 100 4.9-6.1 9593/7014=79...(16) QD1 LEU 69 + H SER 74 OK 58 60 100 97 4.5-7.5 9522/7005=52...(14) QG2 VAL 133 - H SER 74 far 10 100 10 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 9582 from nnoeabs.peaks (8.02, 8.41, 115.94 ppm; 4.90 A): 1 out of 5 assignments used, quality = 0.81: H TYR 76 + H SER 74 OK 81 83 100 98 3.9-4.6 3.1/7014=86...(10) H CYS 79 - H SER 74 far 0 83 0 - 8.8-9.2 H SER 130 - H SER 74 far 0 96 0 - 8.9-10.3 H ILE 129 - H SER 74 far 0 81 0 - 9.2-10.6 H LYS 36 - H SER 74 far 0 63 0 - 9.5-15.0 Violated in 0 structures by 0.00 A. Peak 9583 from nnoeabs.peaks (7.55, 7.79, 107.45 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.97: H VAL 77 + H GLY 75 OK 93 96 100 98 3.2-4.2 11147=79, 4.0/9593=40...(11) H ASP 78 + H GLY 75 OK 55 65 100 84 4.9-5.7 4.5/11147=44...(8) Violated in 0 structures by 0.00 A. Peak 9585 from nnoeabs.peaks (3.14, 7.79, 107.45 ppm; 6.19 A): 1 out of 6 assignments used, quality = 0.97: HB3 TYR 76 + H GLY 75 OK 97 97 100 100 3.9-5.1 7029/3.1=93...(18) HB2 HIS 7 - H GLY 75 far 3 63 5 - 7.5-50.3 HD3 ARG 90 - H GLY 75 far 0 63 0 - 8.4-11.8 HB3 HIS 7 - H GLY 75 far 0 95 0 - 8.9-50.1 HD2 ARG 90 - H GLY 75 far 0 57 0 - 9.0-12.4 HB3 CYS 45 - H GLY 75 far 0 98 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 9586 from nnoeabs.peaks (2.77, 7.79, 107.45 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.99: HB2 TYR 76 + H GLY 75 OK 96 96 100 100 4.2-5.6 ~7029=73, 1.8/9585=68...(21) HB2 CYS 73 + H GLY 75 OK 76 76 100 100 4.6-5.5 4.4/7014=79, 3.0/9539=59...(16) HB3 ASP 35 - H GLY 75 far 4 81 5 - 6.9-17.0 Violated in 0 structures by 0.00 A. Peak 9593 from nnoeabs.peaks (1.05, 7.79, 107.45 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.95: QG1 VAL 77 + H GLY 75 OK 95 95 100 100 3.9-5.1 9611/3.1=78, 9592/3.6=73...(20) QG2 VAL 133 - H GLY 75 far 0 99 0 - 7.5-10.2 Violated in 0 structures by 0.00 A. Peak 9595 from nnoeabs.peaks (0.77, 7.79, 107.45 ppm; 4.79 A): 3 out of 9 assignments used, quality = 0.95: QG1 VAL 93 + H GLY 75 OK 80 83 100 97 4.0-5.2 9608/2.9=68, 2.1/9922=32...(11) QD1 ILE 37 + H GLY 75 OK 65 98 70 94 5.1-11.5 ~10667=40, 9604/2.9=37...(13) QD1 LEU 96 + H GLY 75 OK 30 100 40 74 5.4-8.1 9590/3.6=24...(9) QD2 LEU 96 - H GLY 75 poor 11 81 25 55 5.9-7.2 9590/3.6=19...(8) QD1 ILE 32 - H GLY 75 far 5 99 5 - 2.0-14.3 HG12 ILE 129 - H GLY 75 far 0 83 0 - 7.6-10.8 QD2 LEU 43 - H GLY 75 far 0 92 0 - 8.5-12.2 QD2 LEU 49 - H GLY 75 far 0 65 0 - 9.5-11.2 QD2 LEU 122 - H GLY 75 far 0 89 0 - 9.6-13.8 Violated in 1 structures by 0.00 A. Peak 9601 from nnoeabs.peaks (2.34, 8.04, 121.95 ppm; 5.47 A): 1 out of 5 assignments used, quality = 0.99: HB VAL 77 + H TYR 76 OK 99 99 100 100 4.2-5.0 7042/3.1=96, 2.1/9611=93...(26) HG3 GLU 30 - H ALA 16 far 2 45 5 - 4.8-25.4 HG2 GLU 40 - H ALA 16 far 1 26 5 - 5.8-37.8 HG2 GLU 44 - H ALA 16 far 0 47 0 - 7.7-36.4 HG3 GLU 30 - H TYR 76 far 0 98 0 - 8.1-24.5 Violated in 0 structures by 0.00 A. Peak 9609 from nnoeabs.peaks (0.64, 8.04, 121.95 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 42 + H TYR 76 OK 99 100 100 100 3.6-5.8 9615/3.0=59...(15) QD1 ILE 129 - H TYR 76 far 0 100 0 - 6.9-9.2 Violated in 5 structures by 0.19 A. Peak 9610 from nnoeabs.peaks (0.79, 8.04, 121.95 ppm; 5.36 A): 1 out of 10 assignments used, quality = 0.88: QD1 ILE 37 + H TYR 76 OK 88 98 90 100 4.0-11.8 9026/3.1=70...(15) QG2 ILE 80 - H TYR 76 poor 19 68 30 93 5.0-8.9 3.1/9751=27, ~9750=24...(18) QD1 LEU 96 - H TYR 76 poor 9 90 25 41 6.4-9.0 9575/9582=13, 9595/3.1=9...(6) QD1 ILE 32 - H TYR 76 far 5 97 5 - 3.8-15.1 QD1 ILE 37 - H ALA 16 far 0 45 0 - 7.3-27.3 QD1 ILE 32 - H ALA 16 far 0 43 0 - 8.0-21.0 QD2 LEU 119 - H ALA 16 far 0 41 0 - 8.8-33.4 QD1 LEU 103 - H ALA 16 far 0 46 0 - 9.0-35.8 QG1 VAL 63 - H ALA 16 far 0 47 0 - 9.6-30.8 QD2 LEU 49 - H TYR 76 far 0 98 0 - 9.9-11.5 Violated in 9 structures by 0.56 A. Peak 9611 from nnoeabs.peaks (1.06, 8.04, 121.95 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + H TYR 76 OK 100 100 100 100 4.2-5.0 7043/3.1=87...(26) QG2 VAL 133 - H TYR 76 far 4 85 5 - 6.1-9.0 Violated in 8 structures by 0.06 A. Peak 9612 from nnoeabs.peaks (1.20, 8.04, 121.95 ppm; 5.12 A): 2 out of 7 assignments used, quality = 0.95: QG2 VAL 77 + H TYR 76 OK 92 92 100 100 5.3-6.0 2.1/9611=87, 2400/3.1=78...(25) HG12 ILE 80 + H TYR 76 OK 42 92 50 92 5.6-9.1 2.1/9751=29, ~9750=28...(13) QG2 THR 18 - H ALA 16 poor 14 28 50 - 4.4-8.2 QG2 THR 25 - H ALA 16 far 2 45 5 - 5.8-20.0 QB ALA 41 - H ALA 16 far 1 26 5 - 4.4-28.4 QB ALA 41 - H TYR 76 far 0 68 0 - 7.5-10.9 QG2 THR 18 - H TYR 76 far 0 71 0 - 7.5-30.4 Violated in 18 structures by 0.23 A. Peak 9636 from nnoeabs.peaks (0.81, 7.54, 116.56 ppm; 5.67 A): 4 out of 5 assignments used, quality = 1.00: QG2 ILE 80 + H VAL 77 OK 95 100 95 100 3.6-7.2 ~9725=62, ~9730=51...(32) QG2 ILE 129 + H VAL 77 OK 91 97 100 93 4.6-6.1 11239/7042=35...(14) HG13 ILE 80 + H VAL 77 OK 86 96 90 100 5.3-7.7 ~9725=77, ~9725=60...(32) QG1 VAL 133 + H VAL 77 OK 47 71 80 83 5.4-7.4 10557/9665=36...(12) QD1 LEU 70 - H VAL 77 far 5 99 5 - 7.0-10.5 Violated in 0 structures by 0.00 A. Peak 9637 from nnoeabs.peaks (0.27, 7.54, 116.56 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + H VAL 77 OK 100 100 100 100 3.7-5.1 9725/3.0=91...(37) QG2 VAL 93 + H VAL 77 OK 82 83 100 99 3.9-5.0 9969/7044=51...(16) Violated in 0 structures by 0.00 A. Peak 9665 from nnoeabs.peaks (7.06, 7.54, 116.56 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + H VAL 77 OK 100 100 100 100 3.8-5.3 9677/7044=88...(19) Violated in 2 structures by 0.01 A. Peak 9680 from nnoeabs.peaks (6.96, 7.58, 116.40 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: H ILE 80 + H ASP 78 OK 100 100 100 100 3.7-4.3 9703=99, 7066/7059=77...(11) Violated in 0 structures by 0.00 A. Peak 9681 from nnoeabs.peaks (6.49, 7.58, 116.40 ppm; 5.53 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 76 + H ASP 78 OK 98 98 100 99 4.5-5.2 4.6/7033=65...(15) QE TYR 76 + H ASP 78 OK 80 81 100 99 6.0-6.7 6.5/7033=43...(17) Violated in 0 structures by 0.00 A. Peak 9687 from nnoeabs.peaks (4.11, 7.58, 116.40 ppm; 5.34 A): 2 out of 4 assignments used, quality = 1.00: HA CYS 79 + H ASP 78 OK 100 100 100 100 4.9-5.3 2.9/7059=97, 3.6/9680=78...(9) HA ILE 80 + H ASP 78 OK 85 90 95 99 5.6-7.0 3.0/9680=85, ~9734=47...(11) HA PHE 89 - H ASP 78 far 0 76 0 - 9.1-10.2 HA ILE 32 - H ASP 78 far 0 100 0 - 9.5-24.1 Violated in 0 structures by 0.00 A. Peak 9689 from nnoeabs.peaks (0.27, 7.58, 116.40 ppm; 6.15 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + H ASP 78 OK 100 100 100 100 3.7-5.8 9725/3.6=99...(19) QG2 VAL 93 + H ASP 78 OK 90 90 100 99 5.9-6.9 9969/7053=77...(11) Violated in 0 structures by 0.00 A. Peak 9690 from nnoeabs.peaks (0.81, 7.58, 116.40 ppm; 5.94 A): 3 out of 5 assignments used, quality = 1.00: QG2 ILE 80 + H ASP 78 OK 99 100 100 99 4.0-6.7 4.0/9680=84...(13) HG13 ILE 80 + H ASP 78 OK 95 96 100 99 5.7-7.3 4.4/9680=79...(11) QG2 ILE 129 + H ASP 78 OK 46 97 55 87 6.8-8.1 11142/11125=36...(9) QG1 VAL 133 - H ASP 78 far 11 71 15 - 7.1-9.0 QD1 LEU 70 - H ASP 78 far 0 99 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 9696 from nnoeabs.peaks (1.21, 8.04, 116.97 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.98: HG12 ILE 80 + H CYS 79 OK 95 100 95 100 3.0-5.8 7075/7066=71...(28) QG2 VAL 77 + H CYS 79 OK 65 65 100 100 4.6-5.3 2.1/9697=69, 4.3/7059=58...(21) Violated in 10 structures by 0.06 A. Peak 9697 from nnoeabs.peaks (1.07, 8.04, 116.97 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 77 + H CYS 79 OK 99 99 100 100 4.1-4.5 7052/7059=84...(21) QG2 VAL 133 - H CYS 79 far 0 68 0 - 6.2-9.6 Violated in 1 structures by 0.00 A. Peak 9698 from nnoeabs.peaks (0.82, 8.04, 116.97 ppm; 4.41 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + H CYS 79 OK 97 97 100 100 2.9-5.4 2.1/9700=75, 4.0/7066=68...(31) HG13 ILE 80 + H CYS 79 OK 90 100 90 100 4.7-6.0 3.0/9700=65, 2.1/9699=64...(32) QG1 VAL 133 - H CYS 79 far 0 95 0 - 6.3-8.9 QG2 ILE 129 - H CYS 79 far 0 100 0 - 6.9-8.8 Violated in 14 structures by 0.31 A. Peak 9699 from nnoeabs.peaks (0.28, 8.04, 116.97 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.90: QD1 ILE 80 + H CYS 79 OK 90 90 100 100 2.5-5.7 3.2/9700=71...(40) QG2 VAL 93 - H CYS 79 far 0 100 0 - 6.9-8.3 Violated in 10 structures by 0.32 A. Peak 9700 from nnoeabs.peaks (1.75, 8.04, 116.97 ppm; 4.31 A): 1 out of 4 assignments used, quality = 0.94: HB ILE 80 + H CYS 79 OK 94 95 100 100 3.8-5.8 7073/7066=67...(27) HB2 LYS 39 - H CYS 79 far 0 97 0 - 6.8-11.0 HG3 ARG 90 - H CYS 79 far 0 87 0 - 7.3-10.9 HG13 ILE 129 - H CYS 79 far 0 99 0 - 9.6-13.4 Violated in 6 structures by 0.37 A. Peak 9702 from nnoeabs.peaks (3.46, 8.04, 116.97 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 77 + H CYS 79 OK 99 99 100 100 3.4-4.1 3.6/7059=82, 3.2/9697=69...(17) Violated in 0 structures by 0.00 A. Peak 9703 from nnoeabs.peaks (7.59, 6.96, 123.17 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.99: H ASP 78 + H ILE 80 OK 99 99 100 100 3.7-4.3 9680=98, 7059/7066=76...(11) Violated in 0 structures by 0.00 A. Peak 9704 from nnoeabs.peaks (6.47, 6.96, 123.17 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 76 + H ILE 80 OK 100 100 100 100 3.6-4.9 9746/7077=80...(16) Violated in 0 structures by 0.00 A. Peak 9707 from nnoeabs.peaks (6.49, 8.04, 116.97 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + H CYS 79 OK 94 95 100 99 3.3-4.8 3.1/11162=56...(23) QE TYR 76 + H CYS 79 OK 88 89 100 100 4.2-5.7 9706/7064=50...(25) Violated in 0 structures by 0.00 A. Peak 9708 from nnoeabs.peaks (1.06, 6.96, 123.17 ppm; 6.44 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + H ILE 80 OK 100 100 100 100 4.4-5.1 7052/9680=98...(11) QG2 VAL 133 + H ILE 80 OK 66 78 85 99 5.8-8.7 10588/7077=66...(13) Violated in 0 structures by 0.00 A. Peak 9709 from nnoeabs.peaks (1.44, 6.96, 123.17 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.81: HG2 LYS 86 + H ILE 80 OK 81 83 100 98 3.5-5.8 9720/7077=79...(6) QB ALA 34 - H ILE 80 far 8 78 10 - 5.9-15.8 QB ALA 92 - H ILE 80 far 0 97 0 - 10.0-10.8 Violated in 1 structures by 0.03 A. Peak 9712 from nnoeabs.peaks (3.45, 6.96, 123.17 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 77 + H ILE 80 OK 100 100 100 100 2.9-3.6 9668=98, 9725/7077=82...(16) HA ILE 129 - H ILE 80 far 0 97 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 9733 from nnoeabs.peaks (3.87, 6.96, 123.17 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.98: HD2 PRO 81 + H ILE 80 OK 89 89 100 100 4.6-4.9 4.8=100 HA LYS 86 + H ILE 80 OK 84 85 100 99 5.1-6.1 9727/7077=74...(7) Violated in 0 structures by 0.00 A. Peak 9734 from nnoeabs.peaks (4.38, 6.96, 123.17 ppm; 4.73 A): 1 out of 4 assignments used, quality = 0.97: HA ASP 78 + H ILE 80 OK 97 99 100 99 3.8-4.2 3.6/7066=82, 2.9/9703=73...(6) HA CYS 73 - H ILE 80 far 0 98 0 - 7.1-8.2 HA SER 33 - H ILE 80 far 0 81 0 - 8.8-23.2 HA SER 9 - H ILE 80 far 0 87 0 - 8.8-51.0 Violated in 0 structures by 0.00 A. Peak 9777 from nnoeabs.peaks (2.45, 9.00, 120.08 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 82 + H ARG 84 OK 99 99 100 100 2.1-6.1 2.9/9778=76...(13) HG2 GLN 82 + H ARG 84 OK 94 94 100 100 3.4-6.1 2.9/9778=76...(14) Violated in 8 structures by 0.13 A. Peak 9778 from nnoeabs.peaks (2.21, 9.00, 120.08 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.96: HB2 GLN 82 + H ARG 84 OK 96 97 100 99 2.6-5.1 1.8/11198=63...(13) HB VAL 133 - H ARG 84 far 0 81 0 - 9.9-12.8 Violated in 5 structures by 0.12 A. Peak 9779 from nnoeabs.peaks (4.61, 9.00, 120.08 ppm; 5.26 A): 1 out of 2 assignments used, quality = 0.97: HA GLN 82 + H ARG 84 OK 97 97 100 100 4.1-4.6 3.0/9778=82...(13) HA HIS 3 - H ARG 84 far 0 99 0 - 6.9-77.9 Violated in 0 structures by 0.00 A. Peak 9787 from nnoeabs.peaks (0.82, 7.27, 117.40 ppm; 5.18 A): 2 out of 4 assignments used, quality = 0.96: QG2 ILE 80 + H ASN 85 OK 90 100 90 100 3.6-7.1 11237/3.6=87...(17) HG13 ILE 80 + H ASN 85 OK 60 100 65 92 5.0-7.6 9207/3.6=49, 9813/3.9=34...(10) QG1 VAL 133 - H ASN 85 far 9 87 10 - 6.2-8.8 QG2 ILE 129 - H ASN 85 far 0 100 0 - 7.4-9.4 Violated in 5 structures by 0.18 A. Peak 9796 from nnoeabs.peaks (2.45, 7.25, 114.49 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.99: HG3 GLN 82 + HD21 ASN 85 OK 95 100 95 100 3.4-6.3 2.9/9797=49, 2.9/9798=48...(25) HG2 GLN 82 + HD21 ASN 85 OK 87 97 90 100 2.7-6.4 2.9/9797=49, 2.9/9798=48...(27) HG3 GLU 128 - HD21 ASN 85 far 0 57 0 - 9.4-16.2 Violated in 7 structures by 0.22 A. Peak 9797 from nnoeabs.peaks (2.21, 7.25, 114.49 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLN 82 + HD21 ASN 85 OK 98 98 100 100 2.1-5.2 11238/1.7=71, ~9805=60...(20) HB VAL 133 + HD21 ASN 85 OK 28 81 55 64 4.1-8.7 ~11929=25, 2.1/9802=13...(11) Violated in 0 structures by 0.00 A. Peak 9798 from nnoeabs.peaks (2.08, 7.25, 114.49 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.94: HB3 GLN 82 + HD21 ASN 85 OK 90 95 95 100 2.1-5.7 9805/1.7=71, 1.8/9797=53...(19) HG3 PRO 81 + HD21 ASN 85 OK 40 65 100 61 2.0-4.0 9789/3.5=23, ~10238=13...(12) HB3 LYS 39 - HD21 ASN 85 far 0 100 0 - 5.8-14.1 HG3 GLN 134 - HD21 ASN 85 far 0 100 0 - 6.2-13.1 Violated in 0 structures by 0.00 A. Peak 9799 from nnoeabs.peaks (1.82, 7.25, 114.49 ppm; 5.12 A): 3 out of 4 assignments used, quality = 0.96: HB3 ARG 135 + HD21 ASN 85 OK 82 100 85 97 1.9-7.7 2.9/9800=66...(13) HB2 ARG 84 + HD21 ASN 85 OK 61 97 70 90 4.1-7.8 1.8/11279=28...(22) HB2 LYS 86 + HD21 ASN 85 OK 38 71 100 54 3.5-6.6 7103/5.3=16, 4.0/7132=15...(9) HB2 CYS 79 - HD21 ASN 85 far 0 85 0 - 8.5-10.8 Violated in 2 structures by 0.01 A. Peak 9800 from nnoeabs.peaks (1.69, 7.25, 114.49 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.42: HG2 ARG 135 + HD21 ASN 85 OK 42 85 50 98 2.6-10.1 2.9/11279=54, ~9816=47...(12) HD3 LYS 39 - HD21 ASN 85 far 8 78 10 - 5.6-14.1 HD2 LYS 39 - HD21 ASN 85 far 0 93 0 - 7.0-13.9 Violated in 16 structures by 1.63 A. Peak 9801 from nnoeabs.peaks (1.14, 7.25, 114.49 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.97: QG2 VAL 132 + HD21 ASN 85 OK 90 100 90 100 3.9-7.9 11843/4.5=36...(25) QG1 VAL 132 + HD21 ASN 85 OK 72 97 75 100 3.5-8.1 10545/5.3=47...(25) HG2 LYS 39 - HD21 ASN 85 far 0 99 0 - 6.5-14.7 HG3 LYS 39 - HD21 ASN 85 far 0 92 0 - 7.8-14.1 Violated in 5 structures by 0.14 A. Peak 9802 from nnoeabs.peaks (0.83, 7.25, 114.49 ppm; 4.73 A): 3 out of 4 assignments used, quality = 1.00: HG13 ILE 80 + HD21 ASN 85 OK 100 100 100 100 2.7-4.9 ~11222=41, ~11237=34...(27) QG2 ILE 80 + HD21 ASN 85 OK 94 95 100 100 1.8-5.7 11237/3.5=74...(29) QG1 VAL 133 + HD21 ASN 85 OK 47 97 65 75 3.9-8.1 ~11929=28, 2.1/9797=18...(10) QG2 ILE 129 - HD21 ASN 85 far 5 100 5 - 5.9-9.4 Violated in 0 structures by 0.00 A. Peak 9803 from nnoeabs.peaks (2.46, 8.08, 114.49 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.99: HG3 GLN 82 + HD22 ASN 85 OK 94 99 95 100 1.8-6.3 2.9/9805=71...(20) HG2 GLN 82 + HD22 ASN 85 OK 86 90 95 100 1.9-6.6 2.9/9805=71...(21) Violated in 3 structures by 0.08 A. Peak 9804 from nnoeabs.peaks (2.19, 8.08, 114.49 ppm; 5.58 A): 2 out of 2 assignments used, quality = 0.96: HB2 GLN 82 + HD22 ASN 85 OK 92 92 100 100 1.9-6.9 1.8/9805=99, 11238=78...(17) HB VAL 133 + HD22 ASN 85 OK 54 100 65 82 2.9-9.4 3.0/11929=44...(11) Violated in 0 structures by 0.00 A. Peak 9805 from nnoeabs.peaks (2.08, 8.08, 114.49 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.89: HB3 GLN 82 + HD22 ASN 85 OK 89 99 90 100 1.9-7.3 1.8/11238=61...(18) HB3 LYS 39 - HD22 ASN 85 far 0 99 0 - 6.5-15.7 HG3 GLN 134 - HD22 ASN 85 far 0 100 0 - 6.6-13.0 HB2 GLU 128 - HD22 ASN 85 far 0 100 0 - 9.1-15.6 HG3 GLU 91 - HD22 ASN 85 far 0 73 0 - 9.8-14.4 Violated in 3 structures by 0.31 A. Peak 9806 from nnoeabs.peaks (1.92, 8.08, 114.49 ppm; 6.13 A): 3 out of 4 assignments used, quality = 0.99: HB3 ARG 84 + HD22 ASN 85 OK 89 96 95 98 3.3-9.6 11320/4.5=52...(21) HB2 ARG 135 + HD22 ASN 85 OK 84 93 90 100 2.3-8.7 3.7/9816=73, ~9800=68...(11) HB3 PRO 81 + HD22 ASN 85 OK 55 60 100 91 2.2-5.6 ~9789=31, ~9798=27...(13) HB2 ARG 90 - HD22 ASN 85 far 0 100 0 - 9.0-12.9 Violated in 0 structures by 0.00 A. Peak 9807 from nnoeabs.peaks (1.80, 8.08, 114.49 ppm; 6.04 A): 3 out of 4 assignments used, quality = 1.00: HB2 ARG 84 + HD22 ASN 85 OK 91 99 95 97 4.3-8.5 1.8/9806=32, 2541/5.3=30...(24) HB2 LYS 86 + HD22 ASN 85 OK 84 99 100 85 4.3-7.5 4.0/7137=47, 7103/5.3=23...(10) HB3 ARG 135 + HD22 ASN 85 OK 84 89 95 99 2.1-7.8 3.7/9816=71, ~9800=67...(12) HB VAL 93 - HD22 ASN 85 far 0 65 0 - 9.2-14.9 Violated in 0 structures by 0.00 A. Peak 9808 from nnoeabs.peaks (1.68, 8.08, 114.49 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.94: QB ALA 88 + HD22 ASN 85 OK 83 85 100 98 5.5-7.5 2750/4.5=76, 9853/3.5=76...(8) HD3 LYS 86 + HD22 ASN 85 OK 43 81 70 77 4.2-10.5 5.6/7137=44, 3.5/9807=26...(9) HD2 LYS 86 + HD22 ASN 85 OK 31 81 50 77 5.2-10.1 5.6/7137=44, 3.5/9807=26...(10) HD2 LYS 39 - HD22 ASN 85 far 15 100 15 - 7.5-14.9 Violated in 1 structures by 0.01 A. Peak 9809 from nnoeabs.peaks (1.13, 8.08, 114.49 ppm; 5.48 A): 2 out of 4 assignments used, quality = 0.98: QG2 VAL 132 + HD22 ASN 85 OK 90 100 90 100 3.4-8.3 9801/1.7=49...(24) QG1 VAL 132 + HD22 ASN 85 OK 85 100 85 100 3.7-8.5 10545/5.3=60...(25) HG2 LYS 39 - HD22 ASN 85 far 10 100 10 - 6.2-14.7 HG3 LYS 39 - HD22 ASN 85 far 0 76 0 - 7.9-14.3 Violated in 4 structures by 0.06 A. Peak 9810 from nnoeabs.peaks (0.82, 8.08, 114.49 ppm; 4.97 A): 3 out of 4 assignments used, quality = 1.00: HG13 ILE 80 + HD22 ASN 85 OK 100 100 100 100 2.3-6.3 ~11222=45, 9207/3.5=42...(28) QG2 ILE 80 + HD22 ASN 85 OK 98 98 100 100 1.8-6.3 11237/3.5=83...(30) QG1 VAL 133 + HD22 ASN 85 OK 36 93 50 78 3.5-8.6 3.2/11929=33...(8) QG2 ILE 129 - HD22 ASN 85 far 10 100 10 - 4.5-10.2 Violated in 4 structures by 0.04 A. Peak 9813 from nnoeabs.peaks (0.83, 8.34, 124.24 ppm; 4.07 A): 2 out of 6 assignments used, quality = 0.99: QG2 ILE 80 + H LYS 86 OK 95 95 100 100 2.1-5.4 9753=86, 11237/4.4=46...(32) HG13 ILE 80 + H LYS 86 OK 85 100 85 100 3.3-6.0 3.2/9753=54, ~9727=40...(29) QD2 LEU 22 - H LYS 19 poor 15 61 25 - 4.7-10.5 QG1 VAL 133 - H LYS 86 far 0 97 0 - 5.9-8.4 QG2 ILE 129 - H LYS 86 far 0 100 0 - 6.5-8.2 QG2 ILE 32 - H LYS 19 far 0 38 0 - 7.6-21.5 Violated in 3 structures by 0.07 A. Peak 9816 from nnoeabs.peaks (3.23, 8.08, 114.49 ppm; 5.71 A): 1 out of 5 assignments used, quality = 0.78: HD3 ARG 135 + HD22 ASN 85 OK 78 100 80 98 2.4-9.2 ~9800=60, 10623=47...(12) HB2 HIS 5 - HD22 ASN 85 far 5 100 5 - 6.9-67.4 HB3 PHE 87 - HD22 ASN 85 far 5 100 5 - 6.7-9.8 HB2 PHE 87 - HD22 ASN 85 far 0 100 0 - 7.9-10.9 HB3 HIS 4 - HD22 ASN 85 far 0 100 0 - 9.4-72.9 Violated in 11 structures by 0.75 A. Peak 9817 from nnoeabs.peaks (3.24, 8.34, 124.24 ppm; 5.18 A): 3 out of 6 assignments used, quality = 1.00: HB3 PHE 87 + H LYS 86 OK 99 100 100 99 4.6-5.4 4.0/7154=78, 9844=43...(14) HB2 PHE 87 + H LYS 86 OK 98 99 100 99 4.7-6.2 4.0/7154=78, 9844=43...(13) HD3 ARG 135 + H LYS 86 OK 26 100 45 57 5.6-10.2 11885/3.9=31...(5) HB3 HIS 10 - H LYS 19 far 3 55 5 - 6.4-17.4 HB3 HIS 8 - H LYS 19 far 0 42 0 - 9.6-24.5 HB2 HIS 5 - H LYS 86 far 0 100 0 - 9.9-66.7 Violated in 0 structures by 0.00 A. Peak 9829 from nnoeabs.peaks (1.21, 8.12, 118.33 ppm; 5.37 A): 1 out of 2 assignments used, quality = 0.66: QG2 VAL 77 + H PHE 87 OK 66 68 100 97 4.5-6.4 11193/3.6=49...(18) HG12 ILE 80 - H PHE 87 poor 19 100 25 76 4.9-7.9 3.2/9831=42, 1.8/9831=25...(6) Violated in 7 structures by 0.22 A. Peak 9830 from nnoeabs.peaks (1.15, 8.12, 118.33 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + H PHE 87 OK 97 99 100 98 5.8-7.9 10551/7171=54...(14) QG1 VAL 132 + H PHE 87 OK 90 92 100 98 4.9-7.7 10545/7115=46...(13) Violated in 0 structures by 0.00 A. Peak 9831 from nnoeabs.peaks (0.82, 8.12, 118.33 ppm; 5.67 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 80 + H PHE 87 OK 98 98 100 100 4.4-6.8 9753/7154=83...(21) HG13 ILE 80 + H PHE 87 OK 48 100 50 95 5.4-7.9 9819/3.6=45...(16) QG2 ILE 129 - H PHE 87 far 5 100 5 - 7.2-8.8 QG1 VAL 133 - H PHE 87 far 0 93 0 - 7.5-9.9 Violated in 1 structures by 0.01 A. Peak 9866 from nnoeabs.peaks (1.42, 8.69, 120.07 ppm; 5.63 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 92 + H PHE 89 OK 99 99 100 100 4.7-5.3 2897/2.9=98...(17) HG2 LYS 86 + H PHE 89 OK 97 100 100 98 5.2-6.6 3.7/7190=73...(10) HG LEU 96 - H PHE 89 far 0 68 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 9867 from nnoeabs.peaks (1.14, 8.69, 120.07 ppm; 3.63 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + H PHE 89 OK 99 100 100 99 3.0-5.1 10551=40, 9861/7195=28...(29) QG1 VAL 132 + H PHE 89 OK 89 95 95 99 2.8-5.4 2.1/10551=35...(25) Violated in 2 structures by 0.02 A. Peak 9868 from nnoeabs.peaks (0.81, 8.69, 120.07 ppm; 5.45 A): 4 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + H PHE 89 OK 98 100 100 98 4.8-5.6 11230/7190=42...(19) QG2 ILE 129 + H PHE 89 OK 96 97 100 100 4.1-6.0 9862/7195=84...(21) HG13 ILE 80 + H PHE 89 OK 75 95 85 94 5.6-7.1 2.1/11184=48...(13) QG1 VAL 133 + H PHE 89 OK 43 68 75 85 5.6-7.5 10557/4.2=38...(10) Violated in 0 structures by 0.00 A. Peak 9869 from nnoeabs.peaks (0.28, 8.69, 120.07 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 93 + H PHE 89 OK 92 99 95 98 5.2-7.1 9924/4.2=54...(16) QD1 ILE 80 + H PHE 89 OK 91 96 95 100 3.5-6.4 9747/4.2=56...(24) Violated in 2 structures by 0.04 A. Peak 9870 from nnoeabs.peaks (1.99, 8.69, 120.07 ppm; 5.31 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 91 + H PHE 89 OK 100 100 100 100 4.6-5.3 2860/3.6=80...(9) HG2 ARG 90 + H PHE 89 OK 57 60 100 94 3.9-6.3 4.6/7209=71...(8) HG2 PRO 81 - H PHE 89 far 10 100 10 - 6.3-9.3 HB ILE 129 - H PHE 89 far 0 98 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 9893 from nnoeabs.peaks (1.44, 8.56, 117.97 ppm; 5.84 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 92 + H ARG 90 OK 99 99 100 100 4.9-5.3 2897/3.6=95, 3.0/7248=88...(18) HG2 LYS 86 + H ARG 90 OK 92 92 100 100 4.3-6.3 11742/11754=77...(12) QB ALA 34 - H ARG 90 far 0 89 0 - 9.4-18.6 Violated in 0 structures by 0.00 A. Peak 9894 from nnoeabs.peaks (1.16, 8.56, 117.97 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.93: QG2 VAL 132 + H ARG 90 OK 71 87 85 96 4.7-6.7 11663=51, 9867/7209=29...(18) QG2 VAL 77 + H ARG 90 OK 71 71 100 100 2.1-3.6 11931/2823=48, 11754=43...(21) QG1 VAL 132 + H ARG 90 OK 23 68 35 95 5.1-7.4 2.1/11663=51...(17) Violated in 0 structures by 0.00 A. Peak 9896 from nnoeabs.peaks (0.29, 8.56, 117.97 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + H ARG 90 OK 100 100 100 100 3.7-5.1 9953/2.9=84...(32) QD1 ILE 80 + H ARG 90 OK 73 73 100 99 3.4-6.1 11183=49, 9747/7213=38...(24) Violated in 0 structures by 0.00 A. Peak 9901 from nnoeabs.peaks (1.69, 8.13, 119.27 ppm; 5.47 A): 0 out of 0 assignments used, quality = 0.00: Peak 9902 from nnoeabs.peaks (1.44, 8.13, 119.27 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 92 + H GLU 91 OK 99 99 100 100 4.3-4.5 3.0/7250=82...(18) HG2 LYS 86 - H GLU 91 far 0 92 0 - 6.4-8.9 Violated in 17 structures by 0.05 A. Peak 9919 from nnoeabs.peaks (7.33, 8.13, 119.27 ppm; 5.51 A): 2 out of 3 assignments used, quality = 0.99: HE ARG 90 + H GLU 91 OK 92 92 100 100 4.5-6.4 4.8/7233=73...(12) QD PHE 87 + H GLU 91 OK 87 87 100 100 4.1-6.2 9918/7241=66...(15) HZ PHE 89 - H GLU 91 far 0 57 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 9926 from nnoeabs.peaks (2.23, 8.43, 119.94 ppm; 6.22 A): 3 out of 4 assignments used, quality = 1.00: HB3 LEU 96 + H VAL 93 OK 100 100 100 100 4.2-7.0 3074/2.9=72, ~3065=65...(22) HG2 GLU 91 + H VAL 93 OK 100 100 100 100 4.5-6.0 7254/7258=94...(11) HB3 GLU 128 + H VAL 93 OK 38 99 45 85 6.1-9.3 10013/9965=55...(5) HB3 GLU 97 - H VAL 93 far 0 90 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 9930 from nnoeabs.peaks (3.25, 7.82, 123.43 ppm; 5.89 A): 1 out of 4 assignments used, quality = 1.00: HA VAL 93 + H ALA 92 OK 100 100 100 100 5.1-5.3 2.9/7258=100, 11423=97...(27) HB2 PHE 87 - H ALA 92 poor 19 76 25 - 7.1-8.7 HB3 PHE 87 - H ALA 92 far 0 85 0 - 7.6-9.0 HD3 ARG 135 - H ALA 92 far 0 85 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 9933 from nnoeabs.peaks (1.14, 7.82, 123.43 ppm; 4.96 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + H ALA 92 OK 100 100 100 100 4.6-6.1 9947/7257=50...(19) QG1 VAL 132 + H ALA 92 OK 88 99 90 99 5.3-7.0 11658/7257=53...(16) Violated in 11 structures by 0.11 A. Peak 9934 from nnoeabs.peaks (0.75, 7.82, 123.43 ppm; 4.88 A): 4 out of 4 assignments used, quality = 1.00: QG1 VAL 93 + H ALA 92 OK 100 100 100 100 3.2-6.0 2.1/9936=89, 2.1/9939=80...(21) HG12 ILE 129 + H ALA 92 OK 100 100 100 100 3.5-4.7 10483/7257=69, ~10491=61...(26) QD2 LEU 96 + H ALA 92 OK 82 100 85 97 4.6-6.8 11806/9930=41...(22) QD1 LEU 96 + H ALA 92 OK 33 71 50 93 5.7-8.1 ~11914=17, 2922/9936=16...(25) Violated in 0 structures by 0.00 A. Peak 9936 from nnoeabs.peaks (0.29, 7.82, 123.43 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + H ALA 92 OK 100 100 100 100 3.7-4.7 7270/7258=70...(29) QD1 ILE 80 - H ALA 92 far 0 83 0 - 6.3-9.5 Violated in 9 structures by 0.11 A. Peak 9938 from nnoeabs.peaks (1.66, 7.82, 123.43 ppm; 4.50 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 88 + H ALA 92 OK 100 100 100 100 4.3-4.7 2.1/7246=70...(13) HD2 LYS 95 + H ALA 92 OK 56 97 60 96 4.1-8.3 3.0/11351=37...(24) HD3 LYS 95 + H ALA 92 OK 54 100 55 98 3.9-7.4 9828/9936=38...(26) HD2 LYS 86 - H ALA 92 far 0 100 0 - 9.4-12.5 HD3 LYS 86 - H ALA 92 far 0 100 0 - 9.5-11.9 Violated in 2 structures by 0.01 A. Peak 9939 from nnoeabs.peaks (1.84, 7.82, 123.43 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.92: HB VAL 93 + H ALA 92 OK 92 92 100 100 4.5-6.0 2.1/9936=85, 4.0/7258=71...(26) Violated in 15 structures by 0.19 A. Peak 9964 from nnoeabs.peaks (1.97, 8.43, 119.94 ppm; 5.06 A): 2 out of 4 assignments used, quality = 0.95: HB3 ARG 90 + H VAL 93 OK 83 85 100 97 5.0-5.6 3.0/2792=78, 4.4/7263=58...(6) HB2 GLU 91 + H VAL 93 OK 69 71 100 97 4.7-5.4 4.6/7258=70, 4.0/7263=62...(9) HB3 LYS 86 - H VAL 93 far 0 92 0 - 9.3-10.5 HB2 GLN 27 - H VAL 93 far 0 100 0 - 9.4-27.2 Violated in 0 structures by 0.00 A. Peak 9965 from nnoeabs.peaks (0.63, 8.43, 119.94 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 129 + H VAL 93 OK 99 99 100 100 2.3-3.9 10487/7270=83...(23) QD1 LEU 42 - H VAL 93 far 0 100 0 - 7.5-10.7 Violated in 0 structures by 0.00 A. Peak 9975 from nnoeabs.peaks (2.22, 7.71, 121.43 ppm; 4.97 A): 2 out of 5 assignments used, quality = 0.99: HB3 LEU 96 + H LYS 95 OK 95 96 100 100 3.9-5.9 4.4/7308=52...(42) HG2 GLU 91 + H LYS 95 OK 73 100 80 91 4.6-7.4 9226/3.4=37, 3.9/7290=34...(12) HB3 GLU 97 - H LYS 95 far 5 99 5 - 6.1-7.6 HB3 GLU 128 - H LYS 95 far 0 100 0 - 7.4-9.5 HB2 GLN 101 - H LYS 95 far 0 87 0 - 8.0-10.2 Violated in 1 structures by 0.02 A. Peak 9976 from nnoeabs.peaks (2.38, 7.71, 121.43 ppm; 6.80 A): 0 out of 4 assignments used, quality = 0.00: HG2 GLU 128 - H LYS 95 poor 11 99 40 28 6.9-11.8 11413/9981=17, 11701/3.1=12 HG2 GLN 27 - H LYS 95 far 3 63 5 - 7.3-28.7 HG3 GLN 27 - H LYS 95 far 0 78 0 - 8.7-27.4 HG2 GLU 102 - H LYS 95 far 0 78 0 - 9.5-13.3 Violated in 18 structures by 1.77 A. Peak 9978 from nnoeabs.peaks (2.87, 7.71, 121.43 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + H LYS 95 OK 99 99 100 100 2.5-4.8 6.7=100 HE2 LYS 95 + H LYS 95 OK 99 99 100 100 2.7-5.2 6.7=100 Violated in 0 structures by 0.00 A. Peak 9979 from nnoeabs.peaks (0.87, 7.71, 121.43 ppm; 5.06 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 98 + H LYS 95 OK 99 99 100 100 3.2-5.5 11470/2.9=72...(50) QD1 LEU 98 + H LYS 95 OK 85 99 85 100 4.0-6.7 11469/2.9=68, ~11468=59...(50) QD2 LEU 70 + H LYS 95 OK 23 96 25 98 5.6-8.6 9485/9981=45...(20) QD2 LEU 69 - H LYS 95 far 0 100 0 - 8.1-11.6 QD2 LEU 123 - H LYS 95 far 0 90 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 9980 from nnoeabs.peaks (0.76, 7.71, 121.43 ppm; 4.58 A): 3 out of 6 assignments used, quality = 1.00: QD1 LEU 96 + H LYS 95 OK 98 98 100 100 4.3-5.7 3106/7308=34...(43) QG1 VAL 93 + H LYS 95 OK 95 95 100 100 4.3-5.0 2.1/11342=69...(33) QD2 LEU 96 + H LYS 95 OK 93 93 100 100 3.1-5.2 11806/7293=35...(42) QD2 LEU 122 - H LYS 95 far 7 73 10 - 5.9-9.6 HG12 ILE 129 - H LYS 95 far 5 95 5 - 6.0-7.3 QD1 ILE 32 - H LYS 95 far 0 93 0 - 9.4-17.0 Violated in 0 structures by 0.00 A. Peak 9981 from nnoeabs.peaks (0.28, 7.71, 121.43 ppm; 5.75 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 93 + H LYS 95 OK 99 99 100 100 4.1-5.4 2.1/11342=94...(35) QD1 ILE 80 - H LYS 95 far 0 96 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 9982 from nnoeabs.peaks (0.65, 8.27, 124.81 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + H LEU 96 OK 100 100 100 100 3.4-4.9 10461/7311=59...(29) QD1 LEU 42 - H LEU 96 far 0 97 0 - 9.1-12.4 Violated in 1 structures by 0.02 A. Peak 9983 from nnoeabs.peaks (0.29, 8.27, 124.81 ppm; 5.77 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + H LEU 96 OK 100 100 100 100 4.7-5.2 11425=99, 2.1/11432=93...(36) QD1 ILE 80 - H LEU 96 far 0 83 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 9985 from nnoeabs.peaks (2.77, 8.27, 124.81 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.62: HB2 CYS 73 + H LEU 96 OK 62 78 80 99 6.6-8.9 9961/11432=68...(7) HB2 ASN 121 - H LEU 96 lone 5 60 45 17 4.9-10.4 4.3/7734=13...(3) Violated in 17 structures by 0.62 A. Peak 9994 from nnoeabs.peaks (0.64, 8.50, 119.00 ppm; 5.78 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 129 + H GLU 97 OK 99 99 100 100 4.8-6.1 9982/7330=82...(18) QD1 LEU 42 - H GLU 97 far 0 100 0 - 9.4-12.9 Violated in 1 structures by 0.02 A. Peak 9995 from nnoeabs.peaks (0.29, 8.50, 119.00 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: QG2 VAL 93 + H GLU 97 OK 100 100 100 100 5.0-6.1 11425/7330=97...(20) Violated in 0 structures by 0.00 A. Peak 9997 from nnoeabs.peaks (1.67, 8.50, 119.00 ppm; 5.53 A): 3 out of 6 assignments used, quality = 0.99: HB2 LEU 98 + H GLU 97 OK 93 93 100 100 5.6-6.1 3.0/10021=84...(11) HD3 LYS 95 + H GLU 97 OK 75 99 80 95 5.2-8.5 5.5/7308=52...(15) HD2 LYS 95 + H GLU 97 OK 20 96 25 85 6.0-8.0 5.5/7308=52...(12) HB2 LEU 69 - H GLU 97 far 0 100 0 - 7.9-10.9 HD2 LYS 24 - H GLU 97 far 0 100 0 - 8.2-32.4 HD3 LYS 24 - H GLU 97 far 0 99 0 - 8.2-32.0 Violated in 2 structures by 0.01 A. Peak 9998 from nnoeabs.peaks (1.78, 8.50, 119.00 ppm; 5.26 A): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 98 + H GLU 97 OK 99 99 100 100 4.1-5.8 7364/3.9=80...(20) HB3 LEU 122 + H GLU 97 OK 74 90 95 86 4.6-7.1 3858/3.6=19, 3.0/7338=16...(18) HG LEU 100 + H GLU 97 OK 25 100 25 100 6.5-7.8 11495/2.8=68, ~10036=64...(23) HB3 LEU 103 - H GLU 97 far 0 92 0 - 8.3-10.1 HB2 ARG 23 - H GLU 97 far 0 76 0 - 9.8-31.5 Violated in 0 structures by 0.00 A. Peak 10018 from nnoeabs.peaks (1.39, 7.74, 119.22 ppm; 5.15 A): 4 out of 12 assignments used, quality = 1.00: HG LEU 96 + H LEU 98 OK 97 100 100 97 4.8-6.2 11461/7358=40...(15) HB2 LEU 96 + H LEU 98 OK 80 95 90 94 5.8-6.9 3.8/7331=39, 3.0/7355=30...(17) HG3 LYS 95 + H LEU 98 OK 61 99 80 77 5.4-7.6 3.9/2961=59, 2.9/7363=15...(8) HB3 LEU 100 + H LEU 98 OK 37 93 50 79 5.7-7.9 3.9/7369=36, 3240/3.6=27...(11) HG2 LYS 95 - H LEU 98 poor 18 99 25 72 6.4-7.6 3.9/2961=59, 2.9/7363=15...(5) QB ALA 108 - H LEU 98 far 15 98 15 - 5.2-16.4 QB ALA 29 - H LEU 98 far 5 95 5 - 5.9-17.0 QB ALA 28 - H LEU 98 far 0 97 0 - 6.9-20.6 QB ALA 110 - H LEU 98 far 0 97 0 - 7.3-20.8 HG2 LYS 24 - H LEU 98 far 0 93 0 - 7.6-33.1 HG3 LYS 26 - H LEU 98 far 0 96 0 - 8.9-27.3 QB ALA 109 - H LEU 98 far 0 100 0 - 9.6-18.0 Violated in 1 structures by 0.00 A. Peak 10026 from nnoeabs.peaks (0.80, 8.49, 120.88 ppm; 3.85 A): 3 out of 9 assignments used, quality = 0.99: QD2 LEU 122 + H LEU 100 OK 84 90 95 98 3.2-5.5 11476/7395=23...(46) QD1 LEU 122 + H LEU 100 OK 82 100 85 97 3.4-5.9 11702/7395=24...(43) QD1 LEU 70 + H LEU 100 OK 74 90 90 92 3.4-6.8 9487/7401=33, 2260=18...(30) QD1 LEU 103 - H LEU 100 far 4 81 5 - 5.3-7.3 QD1 LEU 53 - H LEU 100 far 0 98 0 - 6.2-12.2 QG1 VAL 63 - H LEU 100 far 0 83 0 - 6.2-8.2 QD2 LEU 49 - H LEU 100 far 0 99 0 - 7.4-10.3 QD2 LEU 119 - H LEU 100 far 0 100 0 - 7.7-9.7 QD1 ILE 32 - H LEU 100 far 0 68 0 - 9.7-14.7 Violated in 1 structures by 0.01 A. Peak 10027 from nnoeabs.peaks (2.22, 8.49, 120.88 ppm; 5.06 A): 4 out of 6 assignments used, quality = 1.00: HB3 GLU 97 + H LEU 100 OK 100 100 100 100 4.7-6.4 3.0/3114=42, 7417/3.1=39...(32) HB2 GLN 101 + H LEU 100 OK 96 96 100 100 4.4-6.1 3286/3.1=81, ~7418=67...(28) HB3 GLU 102 + H LEU 100 OK 75 97 80 97 5.2-7.2 3207/3.6=71, 3.8/7403=52...(15) HB3 LEU 96 + H LEU 100 OK 60 87 70 99 4.5-6.8 1.8/3073=36, 3.0/3090=27...(42) HB3 GLN 104 - H LEU 100 far 15 100 15 - 5.2-10.1 HB2 GLN 104 - H LEU 100 far 6 60 10 - 6.2-8.8 Violated in 0 structures by 0.00 A. Peak 10047 from nnoeabs.peaks (8.11, 8.49, 120.88 ppm; 6.02 A): 1 out of 5 assignments used, quality = 0.62: H LEU 103 + H LEU 100 OK 62 63 100 99 3.9-4.8 3.0/7403=79, 3228/2.9=52...(14) H ASN 121 - H LEU 100 poor 11 97 40 30 6.3-8.3 10321/10026=11...(5) H ALA 108 - H LEU 100 far 3 60 5 - 7.3-13.3 H ALA 109 - H LEU 100 far 0 65 0 - 8.5-16.4 H ASP 71 - H LEU 100 far 0 65 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 10057 from nnoeabs.peaks (0.87, 6.79, 111.00 ppm; 3.73 A): 2 out of 5 assignments used, quality = 0.68: QD2 LEU 98 + HE21 GLN 101 OK 55 100 65 84 2.1-7.6 10059/1.7=38...(9) QD1 LEU 98 + HE21 GLN 101 OK 30 97 40 77 3.4-8.4 10059/1.7=31...(5) QG2 VAL 20 - HE21 GLN 101 far 0 87 0 - 5.9-31.9 QD2 LEU 70 - HE21 GLN 101 far 0 89 0 - 6.5-10.3 QG1 VAL 118 - HE21 GLN 101 far 0 68 0 - 8.5-10.5 Violated in 11 structures by 0.99 A. Peak 10058 from nnoeabs.peaks (0.97, 6.79, 111.00 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.31: QG1 VAL 105 + HE21 GLN 101 OK 31 90 35 99 4.2-10.6 10060/1.7=85...(6) QG2 VAL 105 - HE21 GLN 101 poor 16 63 25 - 4.2-11.1 Violated in 19 structures by 2.84 A. Peak 10059 from nnoeabs.peaks (0.86, 7.38, 111.00 ppm; 3.84 A): 2 out of 5 assignments used, quality = 0.79: QD2 LEU 98 + HE22 GLN 101 OK 59 97 70 87 2.0-7.1 10057/1.7=49...(9) QD1 LEU 98 + HE22 GLN 101 OK 48 100 60 81 3.8-8.3 10056/7438=35, ~10057=32...(5) QD2 LEU 70 - HE22 GLN 101 far 0 98 0 - 5.6-9.9 QG2 VAL 20 - HE22 GLN 101 far 0 68 0 - 6.7-31.5 QG2 ILE 32 - HE22 GLN 101 far 0 97 0 - 9.8-21.7 Violated in 9 structures by 0.69 A. Peak 10060 from nnoeabs.peaks (0.97, 7.38, 111.00 ppm; 4.23 A): 1 out of 3 assignments used, quality = 0.23: QG1 VAL 105 + HE22 GLN 101 OK 23 95 25 97 4.3-10.1 10058/1.7=70...(6) QG1 VAL 126 - HE22 GLN 101 far 0 90 0 - 9.6-12.5 QG2 VAL 126 - HE22 GLN 101 far 0 98 0 - 9.7-13.6 Violated in 20 structures by 3.01 A. Peak 10065 from nnoeabs.peaks (1.00, 7.85, 118.36 ppm; 3.84 A): 2 out of 3 assignments used, quality = 0.97: QG2 VAL 118 + H GLU 102 OK 92 100 95 97 3.8-7.8 11545/3.8=47...(15) QG2 VAL 105 + H GLU 102 OK 60 100 60 99 3.9-7.9 11508/2.9=59...(19) QD1 LEU 69 - H GLU 102 far 0 100 0 - 8.3-13.6 Violated in 18 structures by 0.40 A. Peak 10066 from nnoeabs.peaks (1.58, 7.85, 118.36 ppm; 4.62 A): 1 out of 6 assignments used, quality = 0.99: HB2 LEU 103 + H GLU 102 OK 99 99 100 100 4.8-5.1 3.2/10068=61...(31) HG LEU 122 - H GLU 102 far 0 81 0 - 6.1-9.9 HG LEU 70 - H GLU 102 far 0 63 0 - 6.1-9.4 HG LEU 103 - H GLU 102 far 0 65 0 - 6.2-6.8 HB2 LEU 122 - H GLU 102 far 0 71 0 - 6.4-8.2 HG2 ARG 23 - H GLU 102 far 0 99 0 - 9.5-34.9 Violated in 20 structures by 0.28 A. Peak 10067 from nnoeabs.peaks (0.89, 7.85, 118.36 ppm; 4.00 A): 2 out of 8 assignments used, quality = 0.88: QD2 LEU 98 + H GLU 102 OK 69 87 95 84 4.7-5.7 10049/7449=26...(12) QG1 VAL 118 + H GLU 102 OK 62 100 65 96 4.4-6.2 2.1/10065=45...(13) QG2 VAL 63 - H GLU 102 far 0 90 0 - 6.0-8.0 QG2 VAL 20 - H GLU 102 far 0 100 0 - 7.0-31.2 QD1 LEU 62 - H GLU 102 far 0 85 0 - 7.2-11.0 QG1 VAL 20 - H GLU 102 far 0 95 0 - 8.8-33.8 QD2 LEU 123 - H GLU 102 far 0 97 0 - 9.4-12.2 QD2 LEU 69 - H GLU 102 far 0 71 0 - 9.8-13.3 Violated in 20 structures by 0.57 A. Peak 10068 from nnoeabs.peaks (0.79, 7.85, 118.36 ppm; 4.67 A): 1 out of 9 assignments used, quality = 0.80: QD1 LEU 103 + H GLU 102 OK 80 100 80 100 4.7-6.3 7476/3.0=75...(31) QD2 LEU 122 - H GLU 102 poor 20 100 20 - 5.8-8.2 QD1 LEU 96 - H GLU 102 far 9 93 10 - 5.6-9.1 QG1 VAL 63 - H GLU 102 far 5 100 5 - 6.0-8.2 QD1 LEU 122 - H GLU 102 far 0 81 0 - 6.5-8.3 QD2 LEU 119 - H GLU 102 far 0 92 0 - 8.6-11.3 QD1 LEU 53 - H GLU 102 far 0 99 0 - 8.9-15.1 QD1 ILE 32 - H GLU 102 far 0 98 0 - 9.2-17.3 QD2 LEU 49 - H GLU 102 far 0 97 0 - 9.6-13.3 Violated in 20 structures by 1.31 A. Peak 10070 from nnoeabs.peaks (1.00, 7.90, 117.67 ppm; 3.86 A): 2 out of 3 assignments used, quality = 0.99: QG2 VAL 105 + H GLN 104 OK 99 100 100 99 3.3-4.8 3478/7499=67...(14) QG2 VAL 118 + H GLN 104 OK 48 97 55 91 3.8-10.5 10278=42, 11419/3.6=27...(13) QD1 LEU 69 - H GLN 104 far 0 97 0 - 8.3-13.9 Violated in 6 structures by 0.09 A. Peak 10073 from nnoeabs.peaks (0.91, 6.96, 111.83 ppm; 4.44 A): 1 out of 10 assignments used, quality = 1.00: QG2 VAL 63 + HE21 GLN 104 OK 100 100 100 100 1.8-5.3 10077/1.7=78...(21) QD1 LEU 62 - HE21 GLN 104 far 15 99 15 - 4.9-9.9 QG1 VAL 118 - HE21 GLN 104 far 10 99 10 - 4.6-11.2 QG2 VAL 112 - HE21 GLN 104 lone 1 89 30 3 2.6-18.2 10077/1.7=2 QG2 VAL 20 - HE21 GLN 104 far 0 92 0 - 7.0-27.9 QD2 LEU 123 - HE21 GLN 104 far 0 78 0 - 8.1-15.5 QG1 VAL 20 - HE21 GLN 104 far 0 100 0 - 8.4-30.1 QD1 LEU 22 - HE21 GLN 104 far 0 96 0 - 8.9-29.4 QG2 ILE 37 - HE21 GLN 104 far 0 60 0 - 8.9-20.6 QD1 LEU 123 - HE21 GLN 104 far 0 81 0 - 9.9-17.7 Violated in 11 structures by 0.18 A. Peak 10074 from nnoeabs.peaks (0.79, 6.96, 111.83 ppm; 3.83 A): 2 out of 11 assignments used, quality = 0.99: QG1 VAL 63 + HE21 GLN 104 OK 98 99 100 100 1.8-5.1 2.1/10073=55...(18) QD1 LEU 103 + HE21 GLN 104 OK 33 98 40 83 3.5-8.7 ~11828=25, 11433/7502=22...(12) QD1 LEU 70 - HE21 GLN 104 far 3 63 5 - 4.9-12.0 QD1 ILE 32 - HE21 GLN 104 lone 0 93 25 1 2.2-16.9 QD1 LEU 122 - HE21 GLN 104 far 0 90 0 - 5.6-12.4 QD2 LEU 122 - HE21 GLN 104 far 0 100 0 - 6.2-12.5 QD2 LEU 119 - HE21 GLN 104 far 0 97 0 - 7.2-14.4 QD1 LEU 96 - HE21 GLN 104 far 0 85 0 - 7.3-14.1 QD1 LEU 53 - HE21 GLN 104 far 0 100 0 - 8.2-17.6 QD2 LEU 49 - HE21 GLN 104 far 0 99 0 - 8.7-14.6 QD1 ILE 37 - HE21 GLN 104 far 0 96 0 - 9.5-19.4 Violated in 7 structures by 0.10 A. Peak 10076 from nnoeabs.peaks (1.39, 7.43, 111.83 ppm; 5.53 A): 1 out of 11 assignments used, quality = 0.34: QB ALA 108 + HE22 GLN 104 OK 34 100 60 57 3.8-12.3 10964/10078=30...(5) QB ALA 28 - HE22 GLN 104 poor 20 100 20 - 2.5-18.5 QB ALA 110 - HE22 GLN 104 poor 20 100 20 - 4.2-13.4 QB ALA 109 - HE22 GLN 104 poor 18 100 35 50 1.8-13.3 10971/10077=23...(7) HB3 LEU 100 - HE22 GLN 104 far 15 99 15 - 5.8-10.7 QB ALA 29 - HE22 GLN 104 lone 1 99 25 3 3.6-15.7 HG3 LYS 31 - HE22 GLN 104 far 0 100 0 - 7.6-23.1 HG3 LYS 26 - HE22 GLN 104 far 0 99 0 - 7.9-24.6 HG2 LYS 24 - HE22 GLN 104 far 0 99 0 - 8.4-31.5 QB ALA 15 - HE22 GLN 104 far 0 100 0 - 9.1-36.3 HG LEU 96 - HE22 GLN 104 far 0 97 0 - 9.8-16.8 Violated in 13 structures by 1.98 A. Peak 10077 from nnoeabs.peaks (0.91, 7.43, 111.83 ppm; 4.35 A): 1 out of 9 assignments used, quality = 1.00: QG2 VAL 63 + HE22 GLN 104 OK 100 100 100 100 1.9-4.7 10073/1.7=75...(26) QD1 LEU 62 - HE22 GLN 104 poor 20 100 20 - 5.0-9.9 QG1 VAL 118 - HE22 GLN 104 far 5 97 5 - 5.3-9.8 QG2 VAL 112 - HE22 GLN 104 lone 2 95 25 9 3.9-17.4 11548/10076=8 QG2 VAL 20 - HE22 GLN 104 far 0 85 0 - 8.3-28.8 QD1 LEU 22 - HE22 GLN 104 far 0 90 0 - 8.7-28.4 QD2 LEU 123 - HE22 GLN 104 far 0 68 0 - 8.7-14.2 QG2 ILE 37 - HE22 GLN 104 far 0 71 0 - 9.2-19.8 QG1 VAL 20 - HE22 GLN 104 far 0 100 0 - 9.4-31.3 Violated in 4 structures by 0.04 A. Peak 10078 from nnoeabs.peaks (0.78, 7.43, 111.83 ppm; 3.68 A): 2 out of 10 assignments used, quality = 1.00: QG1 VAL 63 + HE22 GLN 104 OK 100 100 100 100 1.8-4.5 2.1/10077=52...(23) QD1 LEU 103 + HE22 GLN 104 OK 37 100 45 82 3.4-7.3 ~11828=23, 11433/7510=19...(14) QD1 ILE 32 - HE22 GLN 104 far 15 100 15 - 3.6-16.8 QD1 LEU 122 - HE22 GLN 104 far 0 63 0 - 5.2-11.1 QD2 LEU 122 - HE22 GLN 104 far 0 99 0 - 5.9-11.0 QD1 LEU 96 - HE22 GLN 104 far 0 99 0 - 7.4-13.3 QD2 LEU 119 - HE22 GLN 104 far 0 78 0 - 7.6-12.9 QD1 LEU 53 - HE22 GLN 104 far 0 92 0 - 9.3-16.9 QD2 LEU 49 - HE22 GLN 104 far 0 87 0 - 9.6-14.1 QD1 ILE 37 - HE22 GLN 104 far 0 100 0 - 9.8-18.6 Violated in 3 structures by 0.01 A. Peak 10101 from nnoeabs.peaks (1.39, 8.23, 117.55 ppm; 4.53 A): 1 out of 12 assignments used, quality = 0.98: QB ALA 108 + H SER 107 OK 98 99 100 99 3.4-5.1 2.9/7554=86...(13) QB ALA 28 - H SER 107 poor 20 98 20 - 3.7-22.5 QB ALA 109 - H SER 107 poor 19 100 35 54 4.7-7.7 11532/7546=21...(12) QB ALA 110 - H SER 107 far 10 97 10 - 4.8-10.4 QB ALA 29 - H SER 107 lone 0 96 25 1 4.6-19.4 QB ALA 15 - H SER 107 far 0 97 0 - 7.0-40.5 HB3 LEU 100 - H SER 107 far 0 95 0 - 7.4-11.0 QB ALA 16 - H SER 107 far 0 96 0 - 7.7-37.4 HG3 LYS 26 - H SER 107 far 0 97 0 - 7.7-28.8 HG3 LYS 31 - H SER 107 far 0 100 0 - 7.7-28.0 HG LEU 96 - H SER 107 far 0 100 0 - 9.3-15.1 HG2 LYS 24 - H SER 107 far 0 95 0 - 9.7-37.0 Violated in 10 structures by 0.14 A. Peak 10102 from nnoeabs.peaks (0.94, 8.23, 117.55 ppm; 5.39 A): 2 out of 7 assignments used, quality = 0.82: QG1 VAL 105 + H SER 107 OK 73 73 100 100 5.0-6.1 11534/7546=79...(10) QG2 VAL 63 + H SER 107 OK 33 71 55 86 1.8-7.8 11484/7554=53...(10) QD1 LEU 62 - H SER 107 far 8 78 10 - 4.3-11.7 QD1 LEU 119 - H SER 107 far 5 99 5 - 5.2-14.1 QG1 VAL 20 - H SER 107 far 3 63 5 - 6.4-36.8 QG2 VAL 112 - H SER 107 far 0 96 0 - 8.3-14.2 QG1 VAL 126 - H SER 107 far 0 81 0 - 10.0-13.2 Violated in 2 structures by 0.00 A. Peak 10103 from nnoeabs.peaks (0.79, 8.23, 117.55 ppm; 6.80 A): 2 out of 9 assignments used, quality = 0.97: QG1 VAL 63 + H SER 107 OK 83 96 90 96 2.0-8.4 11486/7554=52...(12) QD1 LEU 103 + H SER 107 OK 82 95 90 97 4.8-8.5 11469/7543=43...(16) QD1 LEU 70 - H SER 107 poor 18 73 25 - 5.9-11.3 QD2 LEU 119 - H SER 107 far 15 99 15 - 7.3-12.7 QD2 LEU 122 - H SER 107 far 15 99 15 - 6.6-10.9 QD1 LEU 122 - H SER 107 far 10 96 10 - 8.0-11.4 QD1 ILE 32 - H SER 107 lone 1 87 40 3 6.7-18.7 QD1 LEU 96 - H SER 107 far 0 76 0 - 8.4-13.8 QD1 LEU 53 - H SER 107 far 0 100 0 - 9.1-18.0 Violated in 0 structures by 0.00 A. Peak 10118 from nnoeabs.peaks (0.92, 8.08, 123.00 ppm; 4.57 A): 2 out of 9 assignments used, quality = 0.57: QG2 VAL 63 + H ALA 109 OK 35 98 45 79 3.2-9.9 11484/4.6=40...(15) QG2 VAL 112 + H ALA 109 OK 34 100 35 99 4.1-11.5 11548/2.9=53, ~10135=50...(15) QD1 LEU 62 - H ALA 109 far 15 99 15 - 5.3-9.8 QD1 LEU 119 - H ALA 109 far 8 78 10 - 3.5-13.2 QG1 VAL 118 - H ALA 109 far 4 83 5 - 5.3-11.8 QD1 LEU 22 - H ALA 109 far 0 71 0 - 6.3-35.8 QG2 VAL 20 - H ALA 109 far 0 63 0 - 6.8-36.8 QG1 VAL 20 - H ALA 109 far 0 96 0 - 6.8-39.3 QG1 VAL 57 - H ALA 109 far 0 60 0 - 9.4-16.7 Violated in 14 structures by 1.00 A. Peak 10121 from nnoeabs.peaks (0.95, 8.30, 108.05 ppm; 3.93 A): 2 out of 15 assignments used, quality = 0.78: QG2 VAL 112 + H GLY 111 OK 65 73 95 94 2.5-5.9 10661/3.0=54...(15) QG1 VAL 112 + H GLY 111 OK 37 83 50 90 4.9-6.3 4.0/7581=53, ~10661=34...(12) QG1 VAL 57 - H GLY 17 far 6 57 10 - 4.3-32.1 QG2 ILE 37 - H GLY 17 far 3 50 5 - 4.8-26.9 QG2 VAL 112 - H GLY 17 far 2 35 5 - 5.0-43.5 QD1 LEU 119 - H GLY 111 far 0 99 0 - 5.4-11.5 QG1 VAL 57 - H GLY 111 far 0 100 0 - 6.3-17.2 QD1 LEU 48 - H GLY 17 far 0 35 0 - 6.9-25.2 QG1 VAL 105 - H GLY 111 far 0 96 0 - 7.0-15.0 QG1 VAL 112 - H GLY 17 far 0 41 0 - 7.5-42.2 QD2 LEU 53 - H GLY 111 far 0 85 0 - 8.7-17.6 QD1 LEU 119 - H GLY 17 far 0 55 0 - 8.7-36.4 QD2 LEU 53 - H GLY 17 far 0 42 0 - 8.7-32.9 QD1 LEU 123 - H GLY 17 far 0 41 0 - 8.8-32.0 QG1 VAL 105 - H GLY 17 far 0 50 0 - 8.8-38.6 Violated in 8 structures by 0.19 A. Peak 10133 from nnoeabs.peaks (3.69, 7.93, 120.44 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.97: HD2 PRO 113 + H VAL 112 OK 97 97 100 100 4.3-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 10136 from nnoeabs.peaks (1.39, 7.93, 120.44 ppm; 4.52 A): 2 out of 9 assignments used, quality = 0.99: QB ALA 110 + H VAL 112 OK 94 98 100 96 3.6-6.0 3.7/7581=72...(9) QB ALA 109 + H VAL 112 OK 89 100 90 99 2.4-8.3 10135/7589=64...(11) QB ALA 15 - H VAL 112 far 10 98 10 - 3.5-42.7 QB ALA 16 - H VAL 112 far 9 95 10 - 2.9-39.6 QB ALA 108 - H VAL 112 far 0 99 0 - 6.2-10.6 HG3 LYS 26 - H VAL 112 far 0 97 0 - 8.3-31.1 HG2 LYS 19 - H VAL 112 far 0 65 0 - 8.9-48.8 QB ALA 29 - H VAL 112 far 0 97 0 - 8.9-21.6 QB ALA 28 - H VAL 112 far 0 99 0 - 8.9-23.9 Violated in 2 structures by 0.02 A. Peak 10159 from nnoeabs.peaks (1.13, 8.57, 108.97 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + H GLY 114 OK 100 100 100 100 3.9-4.9 7607/7600=88...(17) HB3 LEU 62 - H GLY 114 far 5 97 5 - 5.9-11.3 Violated in 8 structures by 0.06 A. Peak 10160 from nnoeabs.peaks (0.93, 8.57, 108.97 ppm; 3.79 A): 1 out of 6 assignments used, quality = 0.72: QD1 LEU 119 + H GLY 114 OK 72 97 85 88 2.0-7.8 10165/2.9=32...(11) QD1 LEU 62 - H GLY 114 far 13 89 15 - 3.1-9.1 QG1 VAL 57 - H GLY 114 far 4 87 5 - 5.2-11.9 QG2 VAL 112 - H GLY 114 far 0 99 0 - 6.3-7.3 QG2 VAL 63 - H GLY 114 far 0 83 0 - 6.7-11.0 QD1 LEU 123 - H GLY 114 far 0 100 0 - 8.2-14.8 Violated in 15 structures by 0.67 A. Peak 10161 from nnoeabs.peaks (0.79, 8.57, 108.97 ppm; 6.80 A): 2 out of 6 assignments used, quality = 0.96: QD2 LEU 119 + H GLY 114 OK 94 99 95 100 3.3-9.3 2.1/10160=100, ~10165=72...(14) QD1 LEU 103 + H GLY 114 OK 25 96 50 53 4.0-9.2 10195/10159=52 QD2 LEU 122 - H GLY 114 far 5 99 5 - 7.0-13.5 QD1 LEU 122 - H GLY 114 far 5 95 5 - 5.8-13.2 QD1 LEU 53 - H GLY 114 lone 1 100 20 3 7.4-14.0 QG1 VAL 63 - H GLY 114 far 0 97 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 10166 from nnoeabs.peaks (0.94, 7.90, 111.39 ppm; 3.74 A): 2 out of 8 assignments used, quality = 0.89: QD1 LEU 119 + H THR 115 OK 73 100 75 98 2.6-6.2 10160/7602=50...(15) QG1 VAL 112 + H THR 115 OK 59 63 100 94 2.8-4.7 10194/7607=44...(16) QG2 VAL 112 - H THR 115 far 14 90 15 - 4.9-6.6 QG2 VAL 63 - H THR 115 far 0 60 0 - 6.0-11.9 QD1 LEU 62 - H THR 115 far 0 68 0 - 6.0-9.6 QD2 LEU 53 - H THR 115 far 0 65 0 - 7.5-14.7 QG1 VAL 57 - H THR 115 far 0 98 0 - 7.7-14.0 QD1 LEU 123 - H THR 115 far 0 96 0 - 9.6-13.7 Violated in 1 structures by 0.02 A. Peak 10168 from nnoeabs.peaks (1.91, 7.90, 111.39 ppm; 6.16 A): 2 out of 2 assignments used, quality = 1.00: HB2 PRO 113 + H THR 115 OK 100 100 100 100 2.5-5.0 3.9/7600=97...(20) HG2 PRO 113 + H THR 115 OK 78 78 100 100 2.5-5.9 ~11939=76, 3617/7600=49...(17) Violated in 0 structures by 0.00 A. Peak 10169 from nnoeabs.peaks (2.09, 7.90, 111.39 ppm; 5.54 A): 1 out of 4 assignments used, quality = 0.76: HB VAL 112 + H THR 115 OK 76 76 100 100 3.9-6.8 10185/7607=93, ~11577=63...(8) HB VAL 57 - H THR 115 far 0 100 0 - 7.7-15.1 HG3 PRO 58 - H THR 115 far 0 76 0 - 8.0-16.7 HB3 GLN 61 - H THR 115 far 0 99 0 - 9.9-17.8 Violated in 8 structures by 0.18 A. Peak 10173 from nnoeabs.peaks (2.85, 7.90, 111.39 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASN 116 + H THR 115 OK 100 100 100 100 3.8-5.3 7615/7608=92...(14) HB3 ASN 59 - H THR 115 lone 1 78 30 5 3.2-12.1 11830/11416=2, 9363/11558=1 Violated in 1 structures by 0.02 A. Peak 10176 from nnoeabs.peaks (4.97, 7.90, 111.39 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + H THR 115 OK 100 100 100 100 3.8-5.4 2.9/7608=95...(15) Violated in 16 structures by 0.19 A. Peak 10197 from nnoeabs.peaks (3.96, 8.45, 123.09 ppm; 4.37 A): 1 out of 9 assignments used, quality = 0.98: HD3 PRO 117 + H ASN 116 OK 98 98 100 100 3.8-5.0 3670/2.9=78, 4.8=76...(26) HA2 GLY 111 - H ASN 116 far 3 57 5 - 5.6-11.1 HD3 PRO 113 - H ASN 116 far 0 73 0 - 6.1-8.4 HA3 GLY 111 - H ASN 116 far 0 90 0 - 6.1-11.5 HB3 SER 107 - H ASN 116 far 0 100 0 - 6.7-17.6 HA LEU 100 - H ASN 116 far 0 100 0 - 8.8-11.6 HA3 GLY 17 - H ASN 116 far 0 100 0 - 9.2-45.5 HB3 SER 106 - H ASN 116 far 0 89 0 - 9.2-17.4 HB2 SER 106 - H ASN 116 far 0 100 0 - 9.4-17.3 Violated in 17 structures by 0.30 A. Peak 10198 from nnoeabs.peaks (3.86, 8.45, 123.09 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: HD2 PRO 117 + H ASN 116 OK 100 100 100 100 3.4-5.0 3667/2.9=78...(24) HA2 GLY 114 + H ASN 116 OK 76 81 95 99 2.9-5.8 3.6/7608=74...(10) HA LEU 62 - H ASN 116 far 0 90 0 - 9.3-17.1 Violated in 1 structures by 0.01 A. Peak 10199 from nnoeabs.peaks (2.04, 8.45, 123.09 ppm; 5.27 A): 3 out of 7 assignments used, quality = 0.98: HG2 PRO 117 + H ASN 116 OK 79 93 85 100 5.7-7.0 2.3/10197=91, ~3667=65...(24) HB VAL 118 + H ASN 116 OK 77 89 90 97 5.5-7.1 ~10276=52, ~10276=37...(11) HG3 PRO 117 + H ASN 116 OK 68 97 70 100 5.7-7.1 2.3/10197=91, ~3667=65...(23) HG3 PRO 113 - H ASN 116 far 4 81 5 - 6.2-8.9 HB2 LEU 62 - H ASN 116 far 0 89 0 - 7.0-15.4 HB VAL 63 - H ASN 116 far 0 87 0 - 8.7-16.5 HG2 PRO 58 - H ASN 116 far 0 95 0 - 9.2-20.3 Violated in 11 structures by 0.09 A. Peak 10202 from nnoeabs.peaks (2.05, 7.01, 113.21 ppm; 5.06 A): 4 out of 10 assignments used, quality = 1.00: HB VAL 118 + HD21 ASN 116 OK 100 100 100 100 1.6-5.6 2.1/11532=63...(21) HG2 PRO 117 + HD21 ASN 116 OK 53 100 55 96 5.2-7.4 ~10213=47, 2.3/10210=40...(12) HG3 PRO 117 + HD21 ASN 116 OK 33 100 35 95 5.3-8.2 ~10213=47, 2.3/10210=40...(12) HB2 LEU 62 + HD21 ASN 116 OK 30 100 45 66 4.5-16.4 11624/10218=23...(8) HG3 PRO 113 - HD21 ASN 116 far 0 99 0 - 6.6-12.3 HG2 PRO 58 - HD21 ASN 116 far 0 63 0 - 7.7-21.2 HB2 GLU 102 - HD21 ASN 116 far 0 65 0 - 8.3-11.6 HG3 PRO 58 - HD21 ASN 116 far 0 89 0 - 8.6-20.2 HB3 GLN 27 - HD21 ASN 116 far 0 99 0 - 9.8-24.6 HB3 GLU 55 - HD21 ASN 116 far 0 95 0 - 9.9-21.1 Violated in 1 structures by 0.01 A. Peak 10204 from nnoeabs.peaks (2.06, 7.92, 113.21 ppm; 4.68 A): 3 out of 9 assignments used, quality = 0.97: HB VAL 118 + HD22 ASN 116 OK 93 99 95 99 3.2-6.5 2.1/11535=47, ~11532=44...(17) HG2 PRO 117 + HD22 ASN 116 OK 36 98 40 93 5.6-8.4 2.3/10213=50...(12) HB2 LEU 62 + HD22 ASN 116 OK 32 99 55 59 4.6-18.1 11624/10222=25...(10) HG3 PRO 117 - HD22 ASN 116 poor 19 96 20 - 5.3-8.2 HG3 PRO 113 - HD22 ASN 116 far 0 100 0 - 7.0-10.9 HB VAL 57 - HD22 ASN 116 far 0 65 0 - 7.3-20.7 HG3 PRO 58 - HD22 ASN 116 far 0 98 0 - 8.0-21.8 HB2 GLU 102 - HD22 ASN 116 far 0 85 0 - 9.5-12.2 HB3 GLN 27 - HD22 ASN 116 far 0 100 0 - 9.8-23.8 Violated in 2 structures by 0.07 A. Peak 10210 from nnoeabs.peaks (3.95, 7.01, 113.21 ppm; 5.29 A): 2 out of 10 assignments used, quality = 1.00: HD3 PRO 117 + HD21 ASN 116 OK 100 100 100 100 4.5-6.0 3670/4.6=75...(15) HA LEU 100 + HD21 ASN 116 OK 61 99 70 88 4.9-11.7 3.0/10217=76...(8) HB3 SER 107 - HD21 ASN 116 poor 12 99 25 50 5.5-15.2 11473/11531=27...(4) HB2 SER 106 - HD21 ASN 116 far 5 95 5 - 5.6-15.5 HD3 PRO 113 - HD21 ASN 116 far 5 90 5 - 6.5-12.5 HA2 GLY 111 - HD21 ASN 116 far 4 78 5 - 5.5-14.5 HB3 SER 106 - HD21 ASN 116 far 4 71 5 - 5.6-15.2 HA3 GLY 111 - HD21 ASN 116 far 0 99 0 - 7.1-15.1 HA3 GLY 17 - HD21 ASN 116 far 0 99 0 - 7.4-41.4 HA2 GLY 17 - HD21 ASN 116 far 0 99 0 - 8.9-43.0 Violated in 3 structures by 0.05 A. Peak 10211 from nnoeabs.peaks (4.29, 7.01, 113.21 ppm; 5.82 A): 0 out of 9 assignments used, quality = 0.00: HA ALA 110 - HD21 ASN 116 poor 20 100 20 - 3.5-14.7 HB THR 115 - HD21 ASN 116 poor 18 92 20 - 3.5-9.5 HA ALA 109 - HD21 ASN 116 far 10 96 10 - 2.4-12.3 HA ALA 108 - HD21 ASN 116 far 10 96 10 - 6.5-14.5 HA ALA 21 - HD21 ASN 116 far 5 100 5 - 6.8-37.1 HA THR 18 - HD21 ASN 116 far 0 100 0 - 8.5-41.6 HA LEU 22 - HD21 ASN 116 far 0 81 0 - 8.9-33.8 HA GLN 61 - HD21 ASN 116 far 0 99 0 - 9.3-21.2 HA ALA 16 - HD21 ASN 116 far 0 95 0 - 9.9-42.1 Violated in 15 structures by 1.43 A. Peak 10212 from nnoeabs.peaks (4.29, 7.92, 113.21 ppm; 4.76 A): 0 out of 9 assignments used, quality = 0.00: HA ALA 110 - HD22 ASN 116 poor 20 100 20 - 3.3-13.7 HB THR 115 - HD22 ASN 116 poor 19 93 20 - 4.4-8.2 HA ALA 109 - HD22 ASN 116 far 5 97 5 - 2.5-11.9 HA ALA 108 - HD22 ASN 116 far 5 97 5 - 5.7-14.7 HA ALA 21 - HD22 ASN 116 far 0 100 0 - 6.4-37.6 HA THR 18 - HD22 ASN 116 far 0 100 0 - 7.4-41.9 HA LEU 22 - HD22 ASN 116 far 0 83 0 - 8.1-34.1 HA GLN 61 - HD22 ASN 116 far 0 99 0 - 9.3-22.7 HA ALA 16 - HD22 ASN 116 far 0 96 0 - 9.9-42.7 Violated in 17 structures by 1.75 A. Peak 10213 from nnoeabs.peaks (3.92, 7.92, 113.21 ppm; 5.80 A): 1 out of 7 assignments used, quality = 0.65: HD3 PRO 117 + HD22 ASN 116 OK 65 65 100 100 3.3-6.7 1.8/10214=61...(17) HB2 SER 107 - HD22 ASN 116 poor 20 100 20 - 6.5-16.5 HD3 PRO 113 - HD22 ASN 116 far 14 96 15 - 5.8-10.8 HA3 GLY 111 - HD22 ASN 116 far 8 83 10 - 6.6-13.6 HA2 GLY 111 - HD22 ASN 116 far 5 99 5 - 5.2-13.0 HB3 SER 60 - HD22 ASN 116 far 0 89 0 - 8.3-22.0 HB2 SER 60 - HD22 ASN 116 far 0 89 0 - 8.3-22.2 Violated in 4 structures by 0.18 A. Peak 10214 from nnoeabs.peaks (3.85, 7.92, 113.21 ppm; 5.80 A): 2 out of 4 assignments used, quality = 1.00: HD2 PRO 117 + HD22 ASN 116 OK 100 100 100 100 4.4-6.1 3667/4.6=84...(14) HA2 GLY 114 + HD22 ASN 116 OK 35 63 80 70 3.4-9.4 10198/7626=28...(7) HA LEU 62 - HD22 ASN 116 poor 20 98 20 - 6.5-19.6 HA LEU 123 - HD22 ASN 116 far 0 99 0 - 8.0-15.8 Violated in 0 structures by 0.00 A. Peak 10216 from nnoeabs.peaks (1.61, 7.01, 113.21 ppm; 5.56 A): 3 out of 4 assignments used, quality = 1.00: HG LEU 119 + HD21 ASN 116 OK 99 99 100 100 2.3-5.3 10221/1.7=97, ~10222=84...(16) HB2 LEU 122 + HD21 ASN 116 OK 29 99 60 49 4.6-10.3 10258/11531=13...(8) HG LEU 122 + HD21 ASN 116 OK 27 97 60 47 4.4-11.7 11105/10217=13...(7) HG LEU 70 - HD21 ASN 116 far 0 100 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 10217 from nnoeabs.peaks (1.39, 7.01, 113.21 ppm; 4.82 A): 1 out of 9 assignments used, quality = 0.25: HB3 LEU 100 + HD21 ASN 116 OK 25 96 35 74 5.6-13.0 10264/11532=44...(8) QB ALA 109 - HD21 ASN 116 far 15 100 15 - 1.9-11.6 QB ALA 110 - HD21 ASN 116 far 15 98 15 - 2.9-12.9 QB ALA 108 - HD21 ASN 116 far 10 99 10 - 5.1-12.5 HG2 LYS 24 - HD21 ASN 116 far 0 96 0 - 8.4-32.1 QB ALA 15 - HD21 ASN 116 far 0 98 0 - 8.5-37.0 HB2 LEU 96 - HD21 ASN 116 far 0 97 0 - 9.3-15.1 QB ALA 29 - HD21 ASN 116 far 0 97 0 - 9.5-17.3 QB ALA 16 - HD21 ASN 116 far 0 95 0 - 10.0-35.3 Violated in 20 structures by 2.54 A. Peak 10218 from nnoeabs.peaks (0.94, 7.01, 113.21 ppm; 4.16 A): 1 out of 11 assignments used, quality = 1.00: QD1 LEU 119 + HD21 ASN 116 OK 100 100 100 100 1.8-4.5 10222/1.7=80...(14) QD1 LEU 62 - HD21 ASN 116 poor 18 57 95 34 1.9-11.8 3795/10219=8, ~10204=7...(7) QD2 LEU 53 - HD21 ASN 116 poor 15 76 20 - 4.4-13.6 QG1 VAL 112 - HD21 ASN 116 far 7 73 10 - 4.5-9.5 QD1 LEU 123 - HD21 ASN 116 far 0 90 0 - 5.8-13.2 QG2 VAL 112 - HD21 ASN 116 far 0 83 0 - 6.7-10.6 QG2 VAL 126 - HD21 ASN 116 far 0 83 0 - 7.4-15.0 QG1 VAL 126 - HD21 ASN 116 far 0 95 0 - 7.4-14.0 QG1 VAL 57 - HD21 ASN 116 far 0 100 0 - 7.7-17.5 QG1 VAL 105 - HD21 ASN 116 far 0 90 0 - 8.7-12.3 QD1 LEU 48 - HD21 ASN 116 far 0 83 0 - 9.6-19.0 Violated in 5 structures by 0.05 A. Peak 10219 from nnoeabs.peaks (0.80, 7.01, 113.21 ppm; 4.36 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 119 + HD21 ASN 116 OK 99 100 100 99 2.6-4.2 2.1/10218=66, ~10222=59...(13) QD1 LEU 103 + HD21 ASN 116 OK 80 93 95 90 2.4-8.4 11425=36, 10223/1.7=27...(15) QD1 LEU 122 + HD21 ASN 116 OK 25 97 55 47 3.4-9.7 2.1/10216=8, 3.1/10216=8...(12) QD1 LEU 53 - HD21 ASN 116 poor 20 100 20 - 4.0-13.7 QD2 LEU 122 - HD21 ASN 116 poor 19 98 35 56 3.3-11.5 10337/10217=23...(13) QG1 VAL 63 - HD21 ASN 116 far 5 95 5 - 5.8-13.8 QD1 LEU 70 - HD21 ASN 116 far 0 76 0 - 7.6-15.1 QD2 LEU 49 - HD21 ASN 116 far 0 100 0 - 7.9-15.6 QD1 LEU 96 - HD21 ASN 116 far 0 73 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 10220 from nnoeabs.peaks (1.39, 7.92, 113.21 ppm; 5.13 A): 0 out of 8 assignments used, quality = 0.00: QB ALA 109 - HD22 ASN 116 poor 20 100 20 - 3.0-11.6 QB ALA 110 - HD22 ASN 116 poor 20 100 20 - 2.9-12.1 QB ALA 108 - HD22 ASN 116 far 10 100 10 - 4.1-12.5 HB3 LEU 100 - HD22 ASN 116 far 5 99 5 - 6.6-14.4 HG2 LYS 24 - HD22 ASN 116 far 0 99 0 - 8.2-32.2 QB ALA 15 - HD22 ASN 116 far 0 100 0 - 8.9-37.6 QB ALA 16 - HD22 ASN 116 far 0 89 0 - 9.7-34.4 QB ALA 29 - HD22 ASN 116 far 0 99 0 - 9.8-18.1 Violated in 15 structures by 0.98 A. Peak 10221 from nnoeabs.peaks (1.61, 7.92, 113.21 ppm; 4.66 A): 1 out of 5 assignments used, quality = 0.94: HG LEU 119 + HD22 ASN 116 OK 94 99 95 100 1.7-7.0 2.1/10222=89...(15) HG LEU 122 - HD22 ASN 116 far 5 97 5 - 5.8-13.1 HB2 LEU 122 - HD22 ASN 116 far 0 99 0 - 6.3-11.6 HG LEU 22 - HD22 ASN 116 far 0 100 0 - 8.9-36.4 HB3 LEU 22 - HD22 ASN 116 far 0 100 0 - 9.7-34.9 Violated in 2 structures by 0.12 A. Peak 10222 from nnoeabs.peaks (0.95, 7.92, 113.21 ppm; 3.91 A): 1 out of 10 assignments used, quality = 0.92: QD1 LEU 119 + HD22 ASN 116 OK 92 97 95 100 1.8-5.5 10218/1.7=56...(17) QG1 VAL 112 - HD22 ASN 116 poor 18 90 20 - 4.1-8.1 QD2 LEU 53 - HD22 ASN 116 far 5 92 5 - 5.0-15.0 QD1 LEU 123 - HD22 ASN 116 far 0 73 0 - 6.2-14.5 QG2 VAL 112 - HD22 ASN 116 far 0 63 0 - 6.5-9.7 QG1 VAL 57 - HD22 ASN 116 far 0 100 0 - 8.0-18.9 QG2 VAL 126 - HD22 ASN 116 far 0 96 0 - 8.1-16.2 QG1 VAL 126 - HD22 ASN 116 far 0 100 0 - 8.6-15.3 QG1 VAL 105 - HD22 ASN 116 far 0 99 0 - 9.2-12.8 QD1 LEU 48 - HD22 ASN 116 far 0 63 0 - 9.9-20.2 Violated in 4 structures by 0.13 A. Peak 10223 from nnoeabs.peaks (0.80, 7.92, 113.21 ppm; 4.30 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 119 + HD22 ASN 116 OK 100 100 100 100 1.9-4.9 2.1/10222=81...(13) QD1 LEU 103 + HD22 ASN 116 OK 68 83 95 87 2.4-9.6 11425/1.7=32...(18) QD1 LEU 122 - HD22 ASN 116 poor 18 100 45 41 4.6-11.0 11612/11535=9...(11) QD1 LEU 53 - HD22 ASN 116 far 15 99 15 - 4.7-15.1 QD2 LEU 122 - HD22 ASN 116 poor 9 92 25 41 4.5-12.7 11612/11535=11...(11) QG1 VAL 63 - HD22 ASN 116 far 0 85 0 - 6.0-14.8 QD1 LEU 70 - HD22 ASN 116 far 0 89 0 - 8.6-15.9 QD2 LEU 49 - HD22 ASN 116 far 0 100 0 - 8.6-16.9 Violated in 1 structures by 0.00 A. Peak 10229 from nnoeabs.peaks (1.39, 8.45, 123.09 ppm; 4.89 A): 1 out of 7 assignments used, quality = 0.36: QB ALA 109 + H ASN 116 OK 36 100 40 90 2.6-12.0 10196/4.2=65...(5) QB ALA 110 - H ASN 116 poor 20 98 20 - 4.9-11.8 QB ALA 108 - H ASN 116 far 10 99 10 - 6.3-13.4 QB ALA 15 - H ASN 116 far 0 98 0 - 8.2-40.8 QB ALA 16 - H ASN 116 far 0 95 0 - 9.0-37.1 HG2 LYS 24 - H ASN 116 far 0 96 0 - 9.2-35.9 HB3 LEU 100 - H ASN 116 far 0 96 0 - 9.7-13.0 Violated in 17 structures by 2.59 A. Peak 10230 from nnoeabs.peaks (0.95, 8.45, 123.09 ppm; 4.25 A): 2 out of 5 assignments used, quality = 0.99: QD1 LEU 119 + H ASN 116 OK 93 93 100 100 1.9-4.4 10295/7616=56, 11559=55...(22) QG1 VAL 112 + H ASN 116 OK 80 96 85 99 2.9-6.1 10194/4.2=62...(11) QD2 LEU 53 - H ASN 116 far 0 97 0 - 6.8-13.5 QD1 LEU 123 - H ASN 116 far 0 63 0 - 8.8-12.2 QG1 VAL 57 - H ASN 116 far 0 99 0 - 8.9-16.4 Violated in 1 structures by 0.00 A. Peak 10245 from nnoeabs.peaks (2.83, 7.75, 118.27 ppm; 5.47 A): 4 out of 4 assignments used, quality = 0.96: HB2 ASN 116 + H VAL 118 OK 78 78 100 100 3.3-6.1 3.0/10251=76...(14) HB2 ASN 121 + H VAL 118 OK 63 63 100 100 4.6-6.2 ~3735=73, ~3847=72...(26) HB2 ASN 120 + H VAL 118 OK 44 68 65 98 5.8-8.1 3.8/7644=73...(18) HB3 ASN 120 + H VAL 118 OK 23 68 35 98 5.6-7.9 3.8/7644=73...(18) Violated in 0 structures by 0.00 A. Peak 10251 from nnoeabs.peaks (4.97, 7.75, 118.27 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + H VAL 118 OK 100 100 100 100 3.4-4.4 3667/7637=66...(17) Violated in 0 structures by 0.00 A. Peak 10254 from nnoeabs.peaks (1.88, 7.75, 118.27 ppm; 5.45 A): 1 out of 2 assignments used, quality = 0.99: HB3 LEU 119 + H VAL 118 OK 99 100 100 100 4.8-6.1 3.9/7643=85, 4.6/7644=64...(16) HB3 LEU 123 - H VAL 118 far 0 98 0 - 7.6-10.2 Violated in 4 structures by 0.06 A. Peak 10255 from nnoeabs.peaks (1.62, 7.75, 118.27 ppm; 4.87 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 119 + H VAL 118 OK 99 100 100 100 3.7-5.9 3781/7643=72...(19) HB2 LEU 122 + H VAL 118 OK 70 97 80 90 5.0-7.9 390/3.9=33, ~7718=31...(15) HG LEU 62 - H VAL 118 far 6 60 10 - 5.7-13.5 HG LEU 122 - H VAL 118 far 5 93 5 - 6.0-9.1 Violated in 5 structures by 0.06 A. Peak 10256 from nnoeabs.peaks (0.79, 7.75, 118.27 ppm; 5.07 A): 4 out of 8 assignments used, quality = 1.00: QD2 LEU 119 + H VAL 118 OK 98 99 100 100 2.3-6.4 4.6/7643=68...(18) QD1 LEU 103 + H VAL 118 OK 91 97 95 99 3.0-9.3 10069/4.0=74...(13) QD1 LEU 122 + H VAL 118 OK 52 93 60 94 4.9-7.7 3.1/10255=29, ~11104=27...(21) QD2 LEU 122 + H VAL 118 OK 32 99 35 91 4.8-8.8 3.1/10255=29...(17) QD1 LEU 53 - H VAL 118 poor 20 100 20 - 5.4-11.7 QG1 VAL 63 - H VAL 118 far 0 97 0 - 7.8-13.9 QD1 LEU 70 - H VAL 118 far 0 68 0 - 8.8-13.3 QD2 LEU 49 - H VAL 118 far 0 100 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 10284 from nnoeabs.peaks (2.83, 7.54, 119.74 ppm; 4.82 A): 3 out of 3 assignments used, quality = 0.93: HB2 ASN 116 + H LEU 119 OK 84 85 100 99 3.4-6.1 1.8/10285=77...(12) HB2 ASN 120 + H LEU 119 OK 44 60 75 98 5.1-6.7 3.8/7662=75, 4.4/7690=45...(14) HB3 ASN 120 + H LEU 119 OK 20 60 35 97 4.9-6.7 3.8/7662=75, 4.4/7690=45...(13) Violated in 0 structures by 0.00 A. Peak 10285 from nnoeabs.peaks (2.93, 7.54, 119.74 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.99: HB3 ASN 116 + H LEU 119 OK 99 100 100 99 3.1-5.4 10295/3797=70...(13) HE2 LYS 24 - H LEU 119 far 0 65 0 - 9.2-32.8 Violated in 10 structures by 0.11 A. Peak 10286 from nnoeabs.peaks (4.39, 7.54, 119.74 ppm; 5.26 A): 1 out of 4 assignments used, quality = 0.73: HA PRO 117 + H LEU 119 OK 73 73 100 100 3.7-4.7 3.6/7643=86...(12) HA PRO 113 - H LEU 119 poor 17 85 20 - 5.3-10.5 HA THR 115 - H LEU 119 far 0 97 0 - 6.8-8.5 HA SER 107 - H LEU 119 far 0 100 0 - 6.8-15.1 Violated in 0 structures by 0.00 A. Peak 10298 from nnoeabs.peaks (2.04, 8.08, 117.66 ppm; 4.99 A): 3 out of 6 assignments used, quality = 0.98: HB VAL 118 + H ASN 120 OK 95 96 100 100 4.8-5.5 3741/7662=69...(18) HG2 PRO 117 + H ASN 120 OK 56 98 65 87 5.9-7.1 3.8/11562=69...(9) HG3 PRO 117 + H ASN 120 OK 25 99 30 84 5.9-7.6 3.8/11562=69...(9) HB2 LEU 62 - H ASN 120 far 0 96 0 - 6.6-12.3 HB2 GLN 127 - H ASN 120 far 0 96 0 - 9.1-12.3 HG3 PRO 113 - H ASN 120 far 0 90 0 - 9.4-15.0 Violated in 3 structures by 0.01 A. Peak 10299 from nnoeabs.peaks (2.95, 8.08, 117.66 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.74: HB3 ASN 121 + H ASN 120 OK 74 78 100 95 4.2-4.7 4.3/7675=48, 7700/4.1=41...(13) HB3 ASN 116 - H ASN 120 poor 17 85 20 - 4.9-8.2 HE3 LYS 24 - H ASN 120 far 0 98 0 - 9.9-34.5 Violated in 1 structures by 0.00 A. Peak 10311 from nnoeabs.peaks (0.93, 7.60, 111.74 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 123 + HD21 ASN 120 OK 95 100 100 95 5.8-8.1 11631/3809=77, ~10305=32...(9) QD1 LEU 119 + HD21 ASN 120 OK 89 90 100 99 1.9-7.1 3804/7677=73, ~10293=42...(16) QG1 VAL 118 + HD21 ASN 120 OK 58 68 100 85 5.2-6.9 11600/11734=37...(9) QD1 LEU 62 - HD21 ASN 120 lone 11 96 70 17 4.4-11.9 7668/7677=9, 10322/7696=6 QG2 VAL 63 - HD21 ASN 120 far 5 92 5 - 7.8-13.1 QG1 VAL 57 - HD21 ASN 120 far 0 76 0 - 8.3-15.7 QD1 LEU 49 - HD21 ASN 120 far 0 95 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 10316 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 5.08 A): 1 out of 4 assignments used, quality = 0.81: HB3 PRO 117 + H ASN 121 OK 81 96 100 85 4.1-6.3 11590/10320=36...(8) HG3 PRO 117 - H ASN 121 poor 9 57 35 46 5.6-7.4 3.8/10237=22...(9) HB3 LEU 53 - H ASN 121 far 0 65 0 - 7.6-11.9 HB VAL 63 - H ASN 121 far 0 100 0 - 9.9-15.9 Violated in 2 structures by 0.07 A. Peak 10317 from nnoeabs.peaks (1.89, 8.12, 119.98 ppm; 5.46 A): 2 out of 4 assignments used, quality = 0.98: HB3 LEU 123 + H ASN 121 OK 87 89 100 98 4.3-6.1 3.9/7704=80, 3927/3.6=67...(13) HB3 LEU 119 + H ASN 121 OK 86 87 100 99 4.4-5.2 3.9/7690=62...(16) HB2 PRO 113 - H ASN 121 far 0 83 0 - 9.0-14.6 HB3 LEU 49 - H ASN 121 far 0 68 0 - 9.1-13.3 Violated in 0 structures by 0.00 A. Peak 10318 from nnoeabs.peaks (1.76, 8.12, 119.98 ppm; 5.44 A): 0 out of 2 assignments used, quality = 0.00: HG LEU 100 - H ASN 121 far 0 90 0 - 7.9-11.1 HB3 LEU 98 - H ASN 121 far 0 73 0 - 8.1-11.9 Violated in 20 structures by 3.01 A. Peak 10319 from nnoeabs.peaks (1.61, 8.12, 119.98 ppm; 5.00 A): 3 out of 3 assignments used, quality = 1.00: HB2 LEU 122 + H ASN 121 OK 97 100 100 97 4.5-5.4 4.3/7704=65, ~10323=40...(16) HG LEU 119 + H ASN 121 OK 79 93 90 94 5.5-6.8 4.6/7690=47...(16) HG LEU 122 + H ASN 121 OK 59 100 65 91 4.2-7.2 2.1/10321=40, ~10323=32...(16) Violated in 0 structures by 0.00 A. Peak 10320 from nnoeabs.peaks (0.99, 8.12, 119.98 ppm; 5.28 A): 1 out of 5 assignments used, quality = 0.87: QG2 VAL 118 + H ASN 121 OK 87 87 100 100 4.4-5.0 3.2/7689=85...(19) QD2 LEU 53 - H ASN 121 poor 14 71 40 48 4.5-9.8 11818/7704=23...(7) QG2 VAL 126 - H ASN 121 poor 13 63 20 - 6.6-9.4 QD1 LEU 69 - H ASN 121 far 0 89 0 - 8.5-13.1 QG1 VAL 112 - H ASN 121 far 0 73 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 10321 from nnoeabs.peaks (0.82, 8.12, 119.98 ppm; 4.57 A): 4 out of 6 assignments used, quality = 0.93: QD1 LEU 122 + H ASN 121 OK 80 97 85 97 3.3-6.5 11092/7700=47...(25) QD2 LEU 119 + H ASN 121 OK 34 90 40 94 3.5-6.6 4.6/7690=39, 3796/4.1=36...(16) QD2 LEU 122 + H ASN 121 OK 33 57 65 89 3.3-6.4 ~10323=26, 7732/4.0=23...(20) QD1 LEU 53 + H ASN 121 OK 24 76 60 53 4.8-8.8 11629/3.6=12...(13) QD2 LEU 49 - H ASN 121 far 0 83 0 - 7.6-11.0 QD1 LEU 70 - H ASN 121 far 0 100 0 - 7.7-12.3 Violated in 2 structures by 0.02 A. Peak 10322 from nnoeabs.peaks (0.91, 8.12, 119.98 ppm; 4.65 A): 5 out of 7 assignments used, quality = 0.99: QG1 VAL 118 + H ASN 121 OK 96 96 100 100 3.5-4.2 3.2/7689=71...(26) QD1 LEU 119 + H ASN 121 OK 44 57 90 86 4.2-6.5 4.6/7690=40...(11) QD1 LEU 123 + H ASN 121 OK 34 90 40 93 5.3-7.1 4.7/7704=53...(10) QD1 LEU 62 + H ASN 121 OK 22 100 45 49 4.6-10.5 7649/7690=13...(11) QD2 LEU 123 + H ASN 121 OK 22 65 35 95 4.3-7.0 11565/3.6=65...(12) QG2 VAL 63 - H ASN 121 far 0 100 0 - 6.8-11.5 QD1 LEU 49 - H ASN 121 far 0 100 0 - 7.4-9.8 Violated in 0 structures by 0.00 A. Peak 10328 from nnoeabs.peaks (0.97, 6.88, 112.45 ppm; 5.40 A): 0 out of 13 assignments used, quality = 0.00: QG1 VAL 126 - HD21 ASN 121 far 9 89 10 - 5.8-12.2 QG1 VAL 126 - HE21 GLN 68 far 4 41 10 - 6.3-10.2 QG2 VAL 126 - HE21 GLN 68 far 2 48 5 - 5.5-9.8 QG2 VAL 126 - HD21 ASN 121 far 0 97 0 - 7.1-12.0 QG1 VAL 112 - HD21 ASN 121 far 0 99 0 - 7.3-15.8 QD2 LEU 53 - HD21 ASN 121 far 0 99 0 - 7.5-13.5 QD2 LEU 53 - HE21 GLN 68 far 0 50 0 - 7.8-15.4 QG2 VAL 126 - HE21 GLN 134 far 0 71 0 - 8.4-14.3 QG1 VAL 105 - HD21 ASN 121 far 0 93 0 - 8.4-17.2 QG2 VAL 105 - HD21 ASN 121 far 0 57 0 - 8.5-14.7 QG2 VAL 105 - HE21 GLN 68 far 0 24 0 - 9.0-15.0 QG1 VAL 126 - HE21 GLN 134 far 0 62 0 - 9.5-14.2 QG1 VAL 57 - HE21 GLN 68 far 0 30 0 - 9.9-15.0 Violated in 18 structures by 0.91 A. Peak 10329 from nnoeabs.peaks (0.89, 6.88, 112.45 ppm; 4.27 A): 1 out of 20 assignments used, quality = 0.94: QG1 VAL 118 + HD21 ASN 121 OK 94 99 95 100 3.7-5.9 10333/1.7=56...(37) QD2 LEU 48 - HE21 GLN 68 poor 11 42 25 - 4.8-11.0 QD2 LEU 69 - HE21 GLN 68 poor 8 33 25 - 1.9-7.9 QD1 LEU 49 - HE21 GLN 68 far 2 37 5 - 5.3-11.0 QD2 LEU 98 - HD21 ASN 121 lone 1 90 25 4 2.2-11.0 10333/1.7=1 QG2 VAL 20 - HE21 GLN 68 far 0 52 0 - 5.9-20.9 QD1 LEU 62 - HD21 ASN 121 far 0 81 0 - 6.1-14.0 QD2 LEU 123 - HE21 GLN 68 far 0 49 0 - 6.1-11.9 QG1 VAL 20 - HE21 GLN 68 far 0 43 0 - 6.5-22.8 QG2 VAL 63 - HD21 ASN 121 far 0 87 0 - 6.9-14.8 QD1 LEU 62 - HE21 GLN 68 far 0 36 0 - 7.7-12.1 QG2 VAL 63 - HE21 GLN 68 far 0 40 0 - 7.7-10.6 QD2 LEU 123 - HD21 ASN 121 far 0 99 0 - 7.8-10.6 QD2 LEU 48 - HE21 GLN 134 far 0 63 0 - 7.8-16.7 QD1 LEU 22 - HE21 GLN 68 far 0 52 0 - 7.9-25.0 QD2 LEU 69 - HE21 GLN 134 far 0 51 0 - 8.4-14.5 QD1 LEU 49 - HE21 GLN 134 far 0 57 0 - 8.5-13.5 QD2 LEU 69 - HD21 ASN 121 far 0 76 0 - 9.1-16.3 QD1 LEU 49 - HD21 ASN 121 far 0 83 0 - 9.1-12.8 QG1 VAL 118 - HE21 GLN 68 far 0 50 0 - 9.4-16.3 Violated in 18 structures by 0.92 A. Peak 10330 from nnoeabs.peaks (1.41, 6.88, 112.45 ppm; 6.80 A): 1 out of 27 assignments used, quality = 0.33: HB3 LEU 100 + HD21 ASN 121 OK 33 65 55 92 3.8-12.4 10262/10329=83, 10264/11533=53 QB ALA 109 - HD21 ASN 121 poor 17 87 20 - 5.5-17.8 HG2 LYS 36 - HE21 GLN 68 poor 17 29 60 - 4.5-13.1 HG3 LYS 31 - HE21 GLN 68 poor 15 42 35 - 4.9-17.4 QB ALA 28 - HE21 GLN 68 poor 10 33 30 - 5.7-16.8 QB ALA 34 - HE21 GLN 68 poor 9 46 20 - 4.7-13.6 HG2 LYS 26 - HE21 GLN 68 poor 7 29 25 - 6.8-23.8 QB ALA 108 - HE21 GLN 68 far 5 34 15 - 5.3-18.6 QB ALA 29 - HE21 GLN 68 poor 5 29 75 23 2.0-11.5 11040/5.2=6, ~10786=6...(5) HG2 LYS 95 - HD21 ASN 121 lone 5 85 55 10 4.5-12.5 2.9/10331=3, 2.9/10331=3 HG3 LYS 95 - HD21 ASN 121 lone 4 81 55 10 4.0-12.2 2.9/10331=3, 2.9/10331=3 QB ALA 110 - HD21 ASN 121 far 4 73 5 - 2.7-19.8 HG2 LYS 24 - HD21 ASN 121 far 3 65 5 - 7.7-36.8 HG3 LYS 26 - HE21 GLN 68 far 3 30 10 - 6.8-24.1 HG2 LYS 24 - HE21 GLN 68 far 3 28 10 - 6.5-23.6 HB2 LEU 96 - HD21 ASN 121 lone 1 68 45 4 3.5-13.3 QB ALA 108 - HD21 ASN 121 lone 1 78 30 5 3.8-17.0 10264/11533=2 HG LEU 96 - HD21 ASN 121 lone 1 98 35 3 4.1-13.5 QB ALA 92 - HD21 ASN 121 lone 1 76 40 4 7.2-12.6 HB2 LEU 42 - HE21 GLN 134 far 0 41 0 - 8.3-14.4 QB ALA 15 - HE21 GLN 68 far 0 32 0 - 8.5-26.9 QB ALA 16 - HE21 GLN 68 far 0 52 0 - 8.6-23.4 HB2 LEU 42 - HE21 GLN 68 far 0 26 0 - 8.9-12.7 QB ALA 109 - HE21 GLN 68 far 0 40 0 - 9.4-20.1 HG LEU 96 - HE21 GLN 68 far 0 49 0 - 9.6-15.2 HB3 LEU 100 - HE21 GLN 68 far 0 28 0 - 9.7-13.1 QB ALA 92 - HE21 GLN 134 far 0 51 0 - 9.9-12.6 Violated in 17 structures by 1.56 A. Peak 10331 from nnoeabs.peaks (1.65, 6.88, 112.45 ppm; 6.80 A): 3 out of 26 assignments used, quality = 0.77: HG LEU 43 + HE21 GLN 134 OK 53 75 70 100 4.7-10.8 ~10630=99, ~9117=97...(7) HB2 LEU 69 + HE21 GLN 68 OK 35 36 100 98 3.6-8.3 3.7/6923=57...(11) HG LEU 119 + HD21 ASN 121 OK 25 68 45 80 7.0-11.3 ~11554=34, ~11616=27...(12) HD2 LYS 31 - HE21 GLN 68 poor 11 45 25 - 4.6-18.5 HD2 LYS 36 - HE21 GLN 68 poor 10 34 65 46 3.2-11.3 11022/3.5=13, ~11022=11...(6) HB2 LEU 123 - HD21 ASN 121 poor 10 100 30 34 7.7-10.5 3924/10329=19...(3) HD3 LYS 36 - HE21 GLN 68 poor 10 34 60 47 1.9-11.8 ~11022=14, ~11023=12...(6) HD3 LYS 31 - HE21 GLN 68 poor 9 46 20 - 6.2-17.5 HD3 LYS 95 - HD21 ASN 121 lone 7 97 45 16 5.8-13.7 2.9/10330=7, 2.9/10330=7 HD2 LYS 95 - HD21 ASN 121 lone 6 99 40 16 6.3-13.8 2.9/10330=7, 2.9/10330=7 HD3 LYS 26 - HE21 GLN 68 far 5 48 10 - 6.9-24.9 HD3 LYS 24 - HD21 ASN 121 far 5 96 5 - 5.9-38.0 HD2 LYS 24 - HD21 ASN 121 far 5 95 5 - 7.1-38.8 HD3 LYS 24 - HE21 GLN 68 far 5 46 10 - 6.5-22.3 HD2 LYS 26 - HE21 GLN 68 far 5 46 10 - 6.7-25.7 HD2 LYS 24 - HE21 GLN 68 far 5 45 10 - 6.0-22.5 HG3 ARG 84 - HE21 GLN 134 far 4 70 5 - 8.2-16.2 HG3 ARG 23 - HE21 GLN 68 far 3 34 10 - 4.9-22.7 HB2 LEU 98 - HD21 ASN 121 lone 3 100 45 7 4.3-11.4 ~10333=2, 3.1/10329=1, ~10306=1 HD3 LYS 19 - HE21 GLN 68 far 3 52 5 - 6.5-31.4 HD2 LYS 19 - HE21 GLN 68 far 3 52 5 - 7.4-31.8 QB ALA 88 - HE21 GLN 134 far 0 68 0 - 8.3-12.7 HG LEU 62 - HD21 ASN 121 far 0 100 0 - 8.5-15.9 HG2 ARG 84 - HE21 GLN 134 far 0 70 0 - 8.7-17.4 HB2 LEU 69 - HD21 ASN 121 far 0 81 0 - 9.2-18.9 HG LEU 62 - HE21 GLN 68 far 0 52 0 - 9.7-14.4 Violated in 1 structures by 0.01 A. Peak 10332 from nnoeabs.peaks (1.00, 7.78, 112.45 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 118 + HD22 ASN 121 OK 100 100 100 100 2.2-4.6 11604/3.5=72...(42) QG2 VAL 105 - HD22 ASN 121 far 0 100 0 - 8.4-13.4 QD1 LEU 69 - HD22 ASN 121 far 0 100 0 - 8.9-14.2 Violated in 0 structures by 0.00 A. Peak 10333 from nnoeabs.peaks (0.90, 7.78, 112.45 ppm; 5.04 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 118 + HD22 ASN 121 OK 100 100 100 100 2.4-4.4 10329/1.7=93...(41) QD1 LEU 62 - HD22 ASN 121 poor 18 90 20 - 4.8-12.9 QG2 VAL 63 - HD22 ASN 121 far 5 95 5 - 5.9-13.6 QD2 LEU 98 - HD22 ASN 121 lone 2 81 40 6 3.1-10.1 10324/4.5=1, 10306/3.5=1 QD2 LEU 123 - HD22 ASN 121 far 0 95 0 - 6.9-9.9 QD1 LEU 49 - HD22 ASN 121 far 0 92 0 - 8.2-12.2 QD2 LEU 69 - HD22 ASN 121 far 0 63 0 - 8.4-15.1 QG2 VAL 112 - HD22 ASN 121 far 0 68 0 - 8.6-16.3 Violated in 0 structures by 0.00 A. Peak 10334 from nnoeabs.peaks (0.80, 7.78, 112.45 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: QD1 LEU 122 + HD22 ASN 121 OK 96 97 100 98 4.4-7.6 11092/3.5=77...(17) QD2 LEU 122 + HD22 ASN 121 OK 95 97 100 98 1.8-8.0 ~11092=70, 9257/3.5=45...(15) QD1 LEU 103 + HD22 ASN 121 OK 67 92 85 86 5.2-11.4 10265/10332=50...(11) QD2 LEU 119 + HD22 ASN 121 OK 62 100 70 88 6.2-9.3 ~11554=33, ~11616=26...(18) QD1 LEU 53 + HD22 ASN 121 OK 23 100 55 42 6.0-11.5 9257/3.5=21...(9) QG1 VAL 63 - HD22 ASN 121 far 5 93 5 - 7.3-14.9 QD1 LEU 70 - HD22 ASN 121 lone 4 78 50 10 6.1-12.8 3892/7727=6, 11951/3736=1 QD1 LEU 96 - HD22 ASN 121 lone 1 71 40 4 5.9-11.6 ~10330=2 QD2 LEU 49 - HD22 ASN 121 far 0 100 0 - 8.5-12.5 Violated in 0 structures by 0.00 A. Peak 10335 from nnoeabs.peaks (3.83, 7.78, 112.45 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.89: HA VAL 118 + HD22 ASN 121 OK 85 85 100 100 1.8-4.3 10336/1.7=65...(40) HD2 PRO 117 + HD22 ASN 121 OK 26 71 45 81 4.7-10.4 3.0/3710=11, ~10325=11...(20) HA LEU 123 - HD22 ASN 121 far 0 95 0 - 6.6-10.1 HA LEU 62 - HD22 ASN 121 far 0 97 0 - 9.2-17.6 Violated in 0 structures by 0.00 A. Peak 10336 from nnoeabs.peaks (3.83, 6.88, 112.45 ppm; 5.06 A): 1 out of 12 assignments used, quality = 0.97: HA VAL 118 + HD21 ASN 121 OK 97 97 100 100 3.0-5.5 3.2/10329=77...(37) HA GLU 40 - HE21 GLN 134 poor 19 63 30 - 5.2-13.8 HB2 SER 130 - HE21 GLN 134 far 8 76 10 - 4.8-10.1 HB3 SER 33 - HE21 GLN 68 far 0 29 0 - 7.3-14.4 HA LEU 62 - HE21 GLN 68 far 0 37 0 - 7.4-11.9 HD2 PRO 81 - HE21 GLN 134 far 0 45 0 - 7.6-12.0 HA LEU 123 - HD21 ASN 121 far 0 78 0 - 7.9-10.9 HA LEU 123 - HE21 GLN 68 far 0 34 0 - 8.7-14.4 HB2 SER 50 - HE21 GLN 134 far 0 69 0 - 8.8-15.2 HB2 SER 50 - HE21 GLN 68 far 0 46 0 - 9.2-16.6 HB2 SER 130 - HE21 GLN 68 far 0 52 0 - 9.4-14.4 HB2 SER 9 - HE21 GLN 134 far 0 53 0 - 9.9-58.8 Violated in 5 structures by 0.05 A. Peak 10352 from nnoeabs.peaks (2.80, 7.95, 113.43 ppm; 4.85 A): 3 out of 3 assignments used, quality = 1.00: HB2 ASN 121 + H SER 124 OK 92 100 100 92 5.4-6.1 3.0/7758=73...(8) HB2 ASN 120 + H SER 124 OK 90 100 100 90 5.0-5.9 3.0/7757=58...(12) HB3 ASN 120 + H SER 124 OK 90 100 100 90 4.3-6.2 3.0/7757=58...(12) Violated in 0 structures by 0.00 A. Peak 10359 from nnoeabs.peaks (2.22, 8.04, 119.83 ppm; 4.83 A): 2 out of 4 assignments used, quality = 0.99: HB3 LEU 96 + H CYS 125 OK 91 95 100 96 4.7-6.2 11655/7783=31...(20) HB3 GLU 128 + H CYS 125 OK 90 100 90 100 4.5-6.9 ~3986=60, ~4087=56...(25) HB3 GLN 127 - H CYS 125 poor 20 100 20 - 5.0-7.0 HG2 GLU 91 - H CYS 125 far 0 100 0 - 7.6-13.2 Violated in 3 structures by 0.05 A. Peak 10360 from nnoeabs.peaks (2.08, 8.04, 119.83 ppm; 4.53 A): 2 out of 5 assignments used, quality = 0.74: HB2 GLN 127 + H CYS 125 OK 58 83 75 93 4.8-6.9 3966/3.6=55, 4.0/7786=31...(15) HB VAL 126 + H CYS 125 OK 37 63 60 99 4.8-6.4 3.7/7792=71...(20) HB2 GLU 128 - H CYS 125 far 15 100 15 - 4.7-6.7 HB VAL 118 - H CYS 125 far 0 83 0 - 8.8-10.1 HB2 LEU 62 - H CYS 125 far 0 83 0 - 9.8-15.1 Violated in 14 structures by 0.23 A. Peak 10363 from nnoeabs.peaks (1.62, 8.04, 119.83 ppm; 5.51 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 122 + H CYS 125 OK 97 97 100 100 5.5-6.0 4.3/7776=41, 3.5/7786=40...(21) HG LEU 122 + H CYS 125 OK 92 93 100 99 5.0-6.9 ~9259=49, 2.1/10366=41...(18) HG LEU 70 - H CYS 125 far 0 99 0 - 7.7-11.4 HG LEU 62 - H CYS 125 far 0 60 0 - 8.2-13.4 Violated in 7 structures by 0.02 A. Peak 10365 from nnoeabs.peaks (0.95, 8.04, 119.83 ppm; 4.16 A): 3 out of 5 assignments used, quality = 0.98: QG1 VAL 126 + H CYS 125 OK 94 100 95 99 3.6-5.9 4.0/7792=58...(28) QG2 VAL 126 + H CYS 125 OK 44 99 45 100 3.4-6.0 4021/7792=61...(28) QD1 LEU 123 + H CYS 125 OK 39 63 65 95 4.6-6.6 ~7765=33, ~3951=28...(15) QD2 LEU 53 - H CYS 125 far 10 97 10 - 5.1-9.7 QD1 LEU 119 - H CYS 125 far 0 93 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 10366 from nnoeabs.peaks (0.79, 8.04, 119.83 ppm; 4.24 A): 2 out of 9 assignments used, quality = 0.94: QD1 LEU 122 + H CYS 125 OK 77 93 85 98 4.4-6.2 ~9259=29, 2.1/11728=23...(24) QD2 LEU 122 + H CYS 125 OK 73 99 75 98 3.7-6.6 9259/2.9=46...(23) QD1 LEU 96 - H CYS 125 poor 19 81 25 93 4.9-7.2 9987/7784=39...(16) QD1 LEU 53 - H CYS 125 poor 15 100 30 50 4.3-7.4 11585/3.4=14...(12) QD1 LEU 70 - H CYS 125 far 3 68 5 - 5.3-10.5 QD2 LEU 49 - H CYS 125 far 0 100 0 - 6.0-8.8 QG2 ILE 129 - H CYS 125 far 0 60 0 - 7.7-8.7 QD2 LEU 119 - H CYS 125 far 0 99 0 - 7.8-10.0 QD1 LEU 103 - H CYS 125 far 0 97 0 - 9.7-12.0 Violated in 7 structures by 0.19 A. Peak 10374 from nnoeabs.peaks (2.08, 7.95, 113.43 ppm; 6.23 A): 2 out of 6 assignments used, quality = 0.93: HB VAL 126 + H SER 124 OK 78 78 100 100 5.5-7.3 3.7/7772=91, 3917/3.6=72...(17) HB2 GLN 127 + H SER 124 OK 68 68 100 100 4.5-7.0 ~4049=83, ~4049=80...(25) HB2 GLU 128 - H SER 124 far 10 100 10 - 6.2-8.8 HB VAL 118 - H SER 124 far 3 68 5 - 7.7-9.6 HB2 LEU 62 - H SER 124 far 0 68 0 - 7.8-13.9 HG2 PRO 117 - H SER 124 far 0 60 0 - 9.6-11.7 Violated in 1 structures by 0.00 A. Peak 10392 from nnoeabs.peaks (3.86, 8.29, 121.89 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.99: HA LEU 123 + H VAL 126 OK 98 98 100 100 3.4-4.2 3.6/7772=98, 3916=97...(19) HA LEU 70 + H VAL 126 OK 64 71 100 90 5.8-7.8 11709/10400=43...(13) HB2 SER 50 + H VAL 126 OK 25 85 55 54 7.2-9.5 7803/3.5=24...(10) HA LEU 62 - H VAL 126 far 0 97 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 10399 from nnoeabs.peaks (0.79, 8.29, 121.89 ppm; 4.13 A): 5 out of 10 assignments used, quality = 1.00: QD1 LEU 122 + H VAL 126 OK 85 90 100 94 2.9-5.6 2.1/10405=29...(23) QD1 LEU 96 + H VAL 126 OK 84 85 100 99 3.0-5.3 ~11807=34, 11452/2.9=34...(28) QD2 LEU 122 + H VAL 126 OK 78 100 80 98 2.4-6.2 9259/3.6=38...(29) QD2 LEU 49 + H VAL 126 OK 46 99 60 78 4.4-7.0 11681/4021=23...(17) QD1 LEU 70 + H VAL 126 OK 22 63 55 63 3.8-8.6 2.1/11083=19, 9498/4.7=9...(21) QD1 LEU 53 - H VAL 126 poor 20 100 20 - 5.2-7.2 QD2 LEU 119 - H VAL 126 far 0 97 0 - 7.9-10.4 QD1 ILE 37 - H VAL 126 far 0 96 0 - 9.3-14.3 QD1 LEU 103 - H VAL 126 far 0 98 0 - 9.4-12.6 QG1 VAL 63 - H VAL 126 far 0 99 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 10400 from nnoeabs.peaks (0.64, 8.29, 121.89 ppm; 5.75 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + H VAL 126 OK 100 100 100 100 3.2-3.9 11639/2.9=98...(48) QD1 LEU 42 - H VAL 126 far 5 97 5 - 6.9-11.1 Violated in 0 structures by 0.00 A. Peak 10405 from nnoeabs.peaks (1.60, 8.29, 121.89 ppm; 4.80 A): 2 out of 5 assignments used, quality = 0.95: HG LEU 122 + H VAL 126 OK 79 99 90 89 4.2-6.5 11677/4021=25...(22) HB2 LEU 122 + H VAL 126 OK 76 96 95 83 5.3-6.4 3.5/7800=23...(17) HG LEU 70 - H VAL 126 far 9 92 10 - 5.8-9.5 HG LEU 123 - H VAL 126 far 3 60 5 - 5.9-7.6 HG LEU 49 - H VAL 126 far 0 73 0 - 6.8-9.6 Violated in 15 structures by 0.31 A. Peak 10419 from nnoeabs.peaks (3.82, 6.82, 112.36 ppm; 5.84 A): 3 out of 4 assignments used, quality = 0.94: HB2 SER 50 + HE21 GLN 127 OK 81 87 100 93 1.8-4.8 10420/1.7=42...(13) HA LEU 123 + HE21 GLN 127 OK 54 63 90 96 4.3-8.3 3.9/11575=50...(11) HB2 SER 130 + HE21 GLN 127 OK 33 100 50 66 4.0-9.0 4175/5.6=38...(7) HA LEU 62 - HE21 GLN 127 far 7 68 10 - 7.2-13.0 Violated in 0 structures by 0.00 A. Peak 10420 from nnoeabs.peaks (3.82, 7.48, 112.36 ppm; 5.53 A): 3 out of 5 assignments used, quality = 0.96: HB2 SER 50 + HE22 GLN 127 OK 84 92 100 92 1.7-5.0 10419/1.7=36...(13) HA LEU 123 + HE22 GLN 127 OK 59 71 90 92 2.7-7.4 4.0/11576=43...(10) HB2 SER 130 + HE22 GLN 127 OK 35 100 55 63 4.0-8.4 4175/5.6=34...(7) HA LEU 62 - HE22 GLN 127 far 0 76 0 - 7.4-12.9 HA VAL 118 - HE22 GLN 127 far 0 99 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 10428 from nnoeabs.peaks (2.75, 7.88, 119.85 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.99: HB2 CYS 125 + H GLU 128 OK 99 99 100 100 5.3-5.8 3.0/7839=100, ~11590=74...(13) HB2 ASP 131 + H GLU 128 OK 63 63 100 100 4.8-6.5 ~4086=94, ~4201=93...(14) HB2 CYS 73 - H GLU 128 far 5 100 5 - 8.1-10.1 HB2 ASP 47 - H GLU 128 far 0 63 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 10430 from nnoeabs.peaks (1.57, 6.82, 112.36 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.60: HG LEU 49 + HE21 GLN 127 OK 40 100 45 89 2.8-7.9 2.1/10431=43...(10) HG LEU 123 + HE21 GLN 127 OK 33 99 35 94 4.7-9.5 2.1/11575=46...(10) HB3 LEU 42 - HE21 GLN 127 far 0 60 0 - 7.3-16.5 HB2 LEU 119 - HE21 GLN 127 far 0 63 0 - 8.2-12.7 Violated in 12 structures by 0.87 A. Peak 10431 from nnoeabs.peaks (0.91, 6.82, 112.36 ppm; 3.60 A): 3 out of 12 assignments used, quality = 0.96: QD1 LEU 49 + HE21 GLN 127 OK 82 100 95 87 1.7-5.3 10434/1.7=41...(14) QD1 LEU 123 + HE21 GLN 127 OK 71 90 85 93 2.1-6.0 11637/3.5=39...(14) QD2 LEU 123 + HE21 GLN 127 OK 26 65 50 80 2.8-7.7 ~11576=21, ~10434=20...(12) QD1 LEU 48 - HE21 GLN 127 far 5 96 5 - 4.6-10.7 QD1 LEU 62 - HE21 GLN 127 far 0 100 0 - 5.3-12.3 QD2 LEU 48 - HE21 GLN 127 far 0 100 0 - 5.6-10.3 QG1 VAL 20 - HE21 GLN 127 far 0 100 0 - 7.5-29.5 QD1 LEU 119 - HE21 GLN 127 far 0 57 0 - 8.1-12.9 QG1 VAL 118 - HE21 GLN 127 far 0 96 0 - 8.5-12.7 QG2 VAL 20 - HE21 GLN 127 far 0 83 0 - 8.8-28.8 QG2 VAL 63 - HE21 GLN 127 far 0 100 0 - 9.1-14.5 QG2 ILE 37 - HE21 GLN 127 far 0 73 0 - 9.7-17.5 Violated in 4 structures by 0.14 A. Peak 10433 from nnoeabs.peaks (1.56, 7.48, 112.36 ppm; 4.66 A): 2 out of 4 assignments used, quality = 0.75: HG LEU 49 + HE22 GLN 127 OK 52 99 60 87 3.9-6.7 2.1/10434=52...(9) HG LEU 123 + HE22 GLN 127 OK 47 100 50 94 3.5-8.4 ~11575=53, 2.1/11576=45...(10) HB2 LEU 119 - HE22 GLN 127 far 0 83 0 - 6.9-12.7 HB3 LEU 42 - HE22 GLN 127 far 0 81 0 - 8.2-14.9 Violated in 12 structures by 0.61 A. Peak 10434 from nnoeabs.peaks (0.92, 7.48, 112.36 ppm; 3.54 A): 2 out of 10 assignments used, quality = 0.95: QD1 LEU 49 + HE22 GLN 127 OK 85 100 100 85 1.8-4.3 10431/1.7=32...(15) QD1 LEU 123 + HE22 GLN 127 OK 69 97 75 95 1.6-6.7 11638/7834=42...(15) QD1 LEU 62 - HE22 GLN 127 far 0 100 0 - 5.1-12.2 QD1 LEU 48 - HE22 GLN 127 far 0 99 0 - 5.7-10.1 QD2 LEU 48 - HE22 GLN 127 far 0 99 0 - 6.7-8.8 QG1 VAL 118 - HE22 GLN 127 far 0 89 0 - 7.3-12.2 QD1 LEU 119 - HE22 GLN 127 far 0 71 0 - 8.4-13.3 QG1 VAL 20 - HE22 GLN 127 far 0 98 0 - 8.5-29.2 QG2 VAL 63 - HE22 GLN 127 far 0 99 0 - 8.9-14.1 QG2 VAL 20 - HE22 GLN 127 far 0 71 0 - 9.6-28.2 Violated in 6 structures by 0.09 A. Peak 10439 from nnoeabs.peaks (1.43, 7.88, 119.85 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 92 + H GLU 128 OK 100 100 100 100 3.9-5.9 10447/4110=73...(12) HG LEU 96 - H GLU 128 far 0 63 0 - 8.0-9.8 Violated in 1 structures by 0.05 A. Peak 10440 from nnoeabs.peaks (0.94, 7.88, 119.85 ppm; 4.92 A): 3 out of 6 assignments used, quality = 1.00: QG1 VAL 126 + H GLU 128 OK 97 97 100 100 4.0-5.7 10394/3.6=78, ~7809=53...(20) QG2 VAL 126 + H GLU 128 OK 87 87 100 100 4.1-5.7 ~7809=53, ~4014=48...(19) QD1 LEU 123 + H GLU 128 OK 50 87 70 83 4.8-8.5 11637/4076=40...(9) QD2 LEU 53 - H GLU 128 far 8 81 10 - 4.4-10.4 QD1 LEU 48 - H GLU 128 far 0 78 0 - 8.9-13.0 QG2 ILE 37 - H GLU 128 far 0 97 0 - 9.8-14.8 Violated in 0 structures by 0.00 A. Peak 10441 from nnoeabs.peaks (0.83, 7.88, 119.85 ppm; 5.59 A): 1 out of 6 assignments used, quality = 0.99: QG2 ILE 129 + H GLU 128 OK 99 99 100 100 5.8-6.1 4.0/7855=83...(14) QG1 VAL 133 - H GLU 128 poor 20 98 20 - 7.0-7.5 QD1 LEU 122 - H GLU 128 poor 17 81 35 62 6.4-9.0 3892/3.2=20, ~3900=13...(11) QD2 LEU 70 - H GLU 128 far 9 60 15 - 6.7-10.9 QD1 LEU 70 - H GLU 128 far 5 98 5 - 6.8-11.4 QD2 LEU 119 - H GLU 128 far 0 65 0 - 9.7-13.3 Violated in 20 structures by 0.36 A. Peak 10475 from nnoeabs.peaks (0.96, 8.00, 119.54 ppm; 4.61 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 126 + H ILE 129 OK 99 100 100 100 4.6-5.4 3.2/4006=62...(18) QG2 VAL 126 + H ILE 129 OK 99 100 100 99 4.6-5.4 3.2/4006=62...(16) QD2 LEU 53 - H ILE 129 far 0 100 0 - 6.7-11.6 QG2 ILE 37 - H ILE 129 far 0 68 0 - 9.1-13.4 Violated in 0 structures by 0.00 A. Peak 10476 from nnoeabs.peaks (1.43, 8.00, 119.54 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 92 + H ILE 129 OK 100 100 100 100 2.7-4.2 10491/7873=73...(23) Violated in 0 structures by 0.00 A. Peak 10497 from nnoeabs.peaks (0.97, 8.04, 112.76 ppm; 4.58 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 126 + H SER 130 OK 97 99 100 98 4.1-5.9 11603=66, 11616/10498=40...(14) QG1 VAL 126 + H SER 130 OK 91 92 100 99 4.0-6.0 2.1/11603=56...(15) QD2 LEU 53 - H SER 130 far 0 100 0 - 7.2-11.8 Violated in 6 structures by 0.10 A. Peak 10498 from nnoeabs.peaks (1.36, 8.04, 112.76 ppm; 5.55 A): 1 out of 5 assignments used, quality = 0.92: QB ALA 46 + H SER 130 OK 92 92 100 100 3.0-4.4 11071/11091=70...(18) HB2 LEU 42 - H SER 130 poor 16 78 20 - 5.5-9.0 HB2 LEU 96 - H SER 130 far 11 73 15 - 6.9-9.2 HG3 LYS 95 - H SER 130 far 0 60 0 - 8.7-14.8 QB ALA 29 - H SER 130 far 0 73 0 - 9.7-17.6 Violated in 0 structures by 0.00 A. Peak 10499 from nnoeabs.peaks (2.21, 8.04, 112.76 ppm; 6.35 A): 4 out of 4 assignments used, quality = 1.00: HB3 GLU 128 + H SER 130 OK 96 97 100 100 5.6-6.2 3.6/7879=88, 3.0/7880=67...(14) HB3 GLN 127 + H SER 130 OK 96 96 100 100 5.2-5.9 3.0/4036=97, 4.7/7879=77...(10) HB VAL 133 + H SER 130 OK 73 73 100 100 5.9-7.1 2.1/10562=100, ~11861=77...(21) HB3 LEU 96 + H SER 130 OK 23 78 45 66 7.0-9.3 11354/7887=32...(5) Violated in 0 structures by 0.00 A. Peak 10510 from nnoeabs.peaks (1.64, 8.27, 119.63 ppm; 4.09 A): 2 out of 24 assignments used, quality = 0.88: HB2 LEU 123 + H LEU 123 OK 77 77 100 100 2.0-3.6 3.9=100 HB2 LEU 122 + H LEU 123 OK 50 51 100 98 2.7-4.0 4.3=84, 3.1/3899=38...(22) HG LEU 62 - H LEU 123 poor 20 80 25 - 4.4-9.4 HD3 LYS 31 - H GLU 30 poor 9 64 40 34 2.5-7.6 6336/4.6=7, 3.5/1159=6...(8) HD2 LYS 31 - H GLU 30 poor 7 62 35 33 3.2-8.5 6336/4.6=7, 3.5/1159=6...(8) HD3 LYS 26 - H GLU 30 far 7 69 10 - 3.3-12.6 HD2 LYS 26 - H GLU 30 far 6 64 10 - 3.4-12.3 HG LEU 43 - H ASP 131 far 5 99 5 - 5.3-9.2 HD3 LYS 19 - H GLU 30 far 4 85 5 - 4.5-24.5 HD2 LYS 19 - H GLU 30 far 0 85 0 - 5.6-23.7 HG LEU 119 - H LEU 123 far 0 77 0 - 5.9-7.6 HG3 ARG 23 - H GLU 30 far 0 89 0 - 6.2-17.6 QB ALA 88 - H ASP 131 far 0 71 0 - 6.5-8.0 HD2 LYS 24 - H GLU 30 far 0 62 0 - 6.9-15.3 HD3 LYS 24 - H GLU 30 far 0 64 0 - 7.5-14.3 HB3 LEU 22 - H GLU 30 far 0 75 0 - 7.9-17.7 HG LEU 70 - H LEU 123 far 0 58 0 - 8.1-10.8 HG LEU 22 - H GLU 30 far 0 75 0 - 8.4-19.6 HD2 LYS 95 - H ASP 131 far 0 87 0 - 9.1-16.3 HG LEU 70 - H GLU 30 far 0 64 0 - 9.2-18.6 HD2 LYS 95 - H LEU 123 far 0 70 0 - 9.6-13.1 HD3 LYS 24 - H LEU 123 far 0 58 0 - 9.8-31.0 HB2 LEU 98 - H LEU 123 far 0 74 0 - 9.8-13.2 HB2 LEU 123 - H ASP 131 far 0 93 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 10511 from nnoeabs.peaks (1.15, 8.27, 119.63 ppm; 4.10 A): 3 out of 10 assignments used, quality = 1.00: QG2 VAL 132 + H ASP 131 OK 98 98 100 100 3.1-4.4 2.1/11648=47...(27) QG1 VAL 132 + H ASP 131 OK 80 89 90 100 3.5-5.6 2.1/11648=47...(24) HG12 ILE 32 + H GLU 30 OK 71 82 95 90 3.0-5.7 10738/3.6=37...(18) QG2 THR 18 - H GLU 30 far 0 64 0 - 5.7-20.4 HB3 LEU 62 - H LEU 123 far 0 87 0 - 6.6-10.4 HG2 LYS 39 - H ASP 131 far 0 95 0 - 6.9-12.3 QB ALA 41 - H GLU 30 far 0 66 0 - 7.3-14.9 HG3 LYS 39 - H ASP 131 far 0 98 0 - 7.9-12.7 HB3 LEU 62 - H GLU 30 far 0 93 0 - 9.6-20.9 QB ALA 41 - H ASP 131 far 0 76 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10512 from nnoeabs.peaks (0.93, 8.27, 119.63 ppm; 4.18 A): 5 out of 25 assignments used, quality = 0.99: QD1 LEU 123 + H LEU 123 OK 87 87 100 100 3.8-4.5 3952=77, 2.1/3944=70...(20) QD1 LEU 49 + H LEU 123 OK 48 75 70 92 4.3-7.0 3934/3.9=25...(23) QG1 VAL 126 + H LEU 123 OK 43 46 95 99 3.4-6.3 ~3917=36, ~4008=32...(33) QD1 LEU 62 + H LEU 123 OK 42 77 60 91 3.8-7.8 2.1/10956=41...(21) QG1 VAL 118 + H LEU 123 OK 40 49 100 83 2.6-5.5 ~7718=20, 3.2/7900=17...(22) QD2 LEU 48 - H GLU 30 far 11 75 15 - 4.5-17.9 QD1 LEU 119 - H LEU 123 far 4 77 5 - 5.4-7.1 QD1 LEU 48 - H GLU 30 far 0 93 0 - 5.8-18.4 QG1 VAL 57 - H GLU 30 far 0 71 0 - 6.2-22.1 QG1 VAL 20 - H GLU 30 far 0 73 0 - 6.2-17.2 QG1 VAL 126 - H ASP 131 far 0 60 0 - 6.3-8.0 QD1 LEU 49 - H ASP 131 far 0 92 0 - 6.3-8.5 QG2 VAL 63 - H LEU 123 far 0 72 0 - 6.4-10.0 QG2 VAL 63 - H GLU 30 far 0 79 0 - 6.7-14.6 QD1 LEU 123 - H ASP 131 far 0 100 0 - 7.7-11.5 QD1 LEU 48 - H LEU 123 far 0 86 0 - 8.1-13.1 QD2 LEU 48 - H LEU 123 far 0 68 0 - 8.3-12.3 QD1 LEU 49 - H GLU 30 far 0 82 0 - 8.3-16.6 QG1 VAL 57 - H LEU 123 far 0 64 0 - 8.7-12.4 QG2 ILE 37 - H LEU 123 far 0 84 0 - 8.9-17.2 QD1 LEU 62 - H GLU 30 far 0 84 0 - 9.1-16.2 QD1 LEU 48 - H ASP 131 far 0 100 0 - 9.4-12.6 QG2 ILE 37 - H GLU 30 far 0 91 0 - 9.5-13.4 QD2 LEU 48 - H ASP 131 far 0 85 0 - 9.6-12.9 QG2 ILE 37 - H ASP 131 far 0 99 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 10513 from nnoeabs.peaks (0.81, 8.27, 119.63 ppm; 3.96 A): 5 out of 23 assignments used, quality = 1.00: QG2 ILE 129 + H ASP 131 OK 95 97 100 98 4.3-4.8 4.2/7891=46, 4.0/7896=38...(24) QD1 LEU 122 + H LEU 123 OK 86 86 100 99 1.5-3.8 3899=55, 2.1/3907=38...(40) QG1 VAL 133 + H ASP 131 OK 67 68 100 98 3.6-4.3 4.0/7925=40, ~10564=28...(25) QD2 LEU 122 + H LEU 123 OK 56 58 100 98 1.6-3.9 2.1/3899=44, 3907=31...(36) QD1 LEU 53 + H LEU 123 OK 50 72 80 88 2.9-6.2 ~9254=35, 2.1/11818=29...(23) QD2 LEU 119 - H LEU 123 poor 17 82 25 85 4.7-6.9 3.1/11552=44...(18) QD2 LEU 49 - H LEU 123 far 12 77 15 - 4.2-8.1 QD1 LEU 70 - H LEU 123 far 8 84 10 - 5.1-10.2 QG1 VAL 63 - H GLU 30 far 3 54 5 - 4.4-13.5 QD2 LEU 49 - H GLU 30 far 0 84 0 - 6.4-14.2 QD1 LEU 70 - H GLU 30 far 0 91 0 - 6.4-16.7 QD1 LEU 103 - H LEU 123 far 0 46 0 - 6.6-9.5 QG2 ILE 80 - H ASP 131 far 0 100 0 - 7.5-10.9 QD1 LEU 53 - H ASP 131 far 0 89 0 - 7.6-11.4 QD2 LEU 49 - H ASP 131 far 0 93 0 - 7.6-9.0 QG1 VAL 63 - H LEU 123 far 0 49 0 - 7.7-11.0 QD1 LEU 53 - H GLU 30 far 0 79 0 - 8.5-20.4 HG13 ILE 80 - H ASP 131 far 0 95 0 - 8.6-12.8 QD2 LEU 122 - H ASP 131 far 0 73 0 - 8.8-12.8 QD1 LEU 70 - H ASP 131 far 0 99 0 - 8.8-13.1 QD1 LEU 122 - H ASP 131 far 0 100 0 - 9.1-12.1 QG2 ILE 129 - H LEU 123 far 0 81 0 - 9.6-10.7 QD1 LEU 103 - H GLU 30 far 0 52 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 10522 from nnoeabs.peaks (0.83, 8.47, 118.09 ppm; 4.75 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 133 + H VAL 132 OK 100 100 100 100 3.1-3.6 2.1/10564=78...(29) QG2 ILE 129 + H VAL 132 OK 95 96 100 99 3.9-4.6 3.2/7909=60, 4.2/7910=53...(21) QG2 ILE 80 - H VAL 132 far 4 83 5 - 6.0-9.0 HG13 ILE 80 - H VAL 132 far 0 97 0 - 6.6-11.3 QD2 LEU 22 - H SER 9 far 0 70 0 - 7.4-24.1 QD2 LEU 70 - H VAL 132 far 0 76 0 - 9.4-13.4 QD1 LEU 70 - H VAL 132 far 0 92 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 10525 from nnoeabs.peaks (2.05, 8.47, 118.09 ppm; 5.54 A): 2 out of 11 assignments used, quality = 0.94: HG3 ARG 135 + H VAL 132 OK 86 90 95 100 4.1-7.2 11783/3.0=78, ~10527=69...(30) HB2 GLN 134 + H VAL 132 OK 58 63 100 92 5.8-7.0 4.0/7921=67, 4266/3.6=34...(8) QE MET 11 - H SER 9 poor 17 70 25 - 5.4-10.6 HG3 PRO 81 - H VAL 132 poor 17 100 25 69 5.9-9.9 10575/10564=26...(9) HB2 GLN 127 - H VAL 132 far 0 99 0 - 7.3-8.3 HB3 LYS 39 - H VAL 132 far 0 57 0 - 7.5-13.3 HB3 GLU 44 - H SER 9 far 0 37 0 - 7.9-47.3 HB3 MET 11 - H SER 9 far 0 43 0 - 8.1-10.8 HB3 GLN 27 - H SER 9 far 0 66 0 - 9.1-35.7 HB3 GLU 40 - H SER 9 far 0 65 0 - 9.5-52.0 HB2 GLU 44 - H SER 9 far 0 44 0 - 9.6-47.6 Violated in 1 structures by 0.04 A. Peak 10548 from nnoeabs.peaks (7.31, 8.14, 117.00 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: H ARG 135 + H VAL 133 OK 100 100 100 100 3.6-4.3 10611=99, 7972/7936=82...(16) HZ PHE 89 + H VAL 133 OK 56 100 60 94 5.6-7.3 10553/7935=64...(10) Violated in 0 structures by 0.00 A. Peak 10549 from nnoeabs.peaks (7.11, 8.14, 117.00 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.70: HE22 GLN 134 + H VAL 133 OK 70 71 100 99 6.2-7.2 9117/11075=85...(7) Violated in 10 structures by 0.08 A. Peak 10550 from nnoeabs.peaks (6.48, 8.14, 117.00 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 76 + H VAL 133 OK 96 97 100 100 4.4-6.1 10555/7935=77...(16) QD TYR 76 + H VAL 133 OK 74 85 90 97 5.2-7.7 ~10559=59, ~10559=55...(13) Violated in 1 structures by 0.01 A. Peak 10580 from nnoeabs.peaks (0.74, 8.14, 117.00 ppm; 4.77 A): 1 out of 4 assignments used, quality = 0.89: QD2 LEU 43 + H VAL 133 OK 89 89 100 100 3.6-5.0 11075=81, 11776/7935=75...(20) HG12 ILE 129 - H VAL 133 far 14 96 15 - 5.8-7.1 QD2 LEU 96 - H VAL 133 far 0 97 0 - 7.4-11.2 QG1 VAL 93 - H VAL 133 far 0 96 0 - 7.5-10.3 Violated in 3 structures by 0.02 A. Peak 10582 from nnoeabs.peaks (2.06, 8.14, 117.00 ppm; 5.12 A): 3 out of 6 assignments used, quality = 0.97: HG3 GLN 134 + H VAL 133 OK 73 73 100 99 3.5-5.2 4.9/7936=64...(17) HG3 PRO 81 + H VAL 133 OK 72 99 80 91 4.1-8.5 10575/7935=29...(18) HG3 ARG 135 + H VAL 133 OK 66 71 95 98 3.7-7.0 5.0/10611=54...(14) HB3 LYS 39 - H VAL 133 poor 16 81 20 - 5.4-11.1 HB2 GLU 128 - H VAL 133 far 0 76 0 - 6.9-8.8 HB2 GLN 127 - H VAL 133 far 0 100 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 10583 from nnoeabs.peaks (2.67, 8.14, 117.00 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.94: HG2 GLN 134 + H VAL 133 OK 87 87 100 100 3.4-4.9 4.9/7936=92...(13) HB2 ASN 85 + H VAL 133 OK 56 65 100 86 3.7-6.2 ~11929=50, 9790/4.2=24...(8) Violated in 0 structures by 0.00 A. Peak 10593 from nnoeabs.peaks (0.74, 7.49, 116.34 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.95: QD2 LEU 43 + H GLN 134 OK 95 95 100 100 2.1-4.3 11777/4250=68...(27) HG12 ILE 129 - H GLN 134 far 0 99 0 - 8.5-9.4 QD2 LEU 96 - H GLN 134 far 0 99 0 - 9.5-13.1 QG1 VAL 93 - H GLN 134 far 0 99 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 10606 from nnoeabs.peaks (1.17, 7.49, 116.34 ppm; 5.01 A): 1 out of 4 assignments used, quality = 0.37: HG3 LYS 39 + H GLN 134 OK 37 96 45 86 4.9-9.8 10567/7946=51...(13) QG2 VAL 77 - H GLN 134 far 0 95 0 - 8.3-9.9 QB ALA 41 - H GLN 134 far 0 100 0 - 8.9-11.3 QG2 THR 25 - H GLN 134 far 0 85 0 - 9.9-28.4 Violated in 19 structures by 1.81 A. Peak 10607 from nnoeabs.peaks (1.72, 7.49, 116.34 ppm; 5.57 A): 3 out of 5 assignments used, quality = 1.00: HG2 ARG 135 + H GLN 134 OK 97 97 100 99 4.6-6.1 7983/7972=92...(9) HB2 LEU 43 + H GLN 134 OK 89 99 90 100 4.8-7.9 3.2/10593=85, ~11899=48...(16) HD3 LYS 39 + H GLN 134 OK 41 99 45 93 4.4-11.4 3.0/10606=80...(8) HB ILE 80 - H GLN 134 far 0 89 0 - 7.1-11.0 HG13 ILE 129 - H GLN 134 far 0 73 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 10611 from nnoeabs.peaks (8.15, 7.31, 125.67 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: H VAL 133 + H ARG 135 OK 100 100 100 100 3.6-4.3 7936/7972=77...(16) Violated in 0 structures by 0.00 A. Peak 10612 from nnoeabs.peaks (7.07, 7.31, 125.67 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.85: HE ARG 135 + H ARG 135 OK 85 85 100 100 3.9-4.9 11865=69, 10615/7983=62...(18) QD PHE 89 - H ARG 135 far 5 100 5 - 5.7-7.8 Violated in 13 structures by 0.31 A. Peak 10624 from nnoeabs.peaks (3.52, 7.31, 125.67 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 132 + H ARG 135 OK 100 100 100 100 3.2-3.9 10527/7983=54...(18) Violated in 0 structures by 0.00 A. Peak 10625 from nnoeabs.peaks (3.79, 7.31, 125.67 ppm; 4.94 A): 1 out of 5 assignments used, quality = 0.65: HA VAL 133 + H ARG 135 OK 65 65 100 100 3.8-4.2 3.6/7972=87...(13) HA SER 130 - H ARG 135 poor 19 96 20 - 6.2-7.1 HB3 SER 130 - H ARG 135 far 0 83 0 - 7.3-9.4 HA LEU 43 - H ARG 135 far 0 95 0 - 7.9-9.9 HB2 SER 130 - H ARG 135 far 0 63 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 10626 from nnoeabs.peaks (3.80, 7.13, 112.66 ppm; 4.31 A): 1 out of 4 assignments used, quality = 0.25: HA LEU 43 + HE22 GLN 134 OK 25 83 35 87 5.0-10.9 3.9/10630=59...(7) HA SER 130 - HE22 GLN 134 far 4 85 5 - 5.1-8.9 HB2 SER 130 - HE22 GLN 134 far 4 81 5 - 5.1-10.3 HB3 SER 130 - HE22 GLN 134 far 3 65 5 - 3.4-9.0 Violated in 20 structures by 3.42 A. Peak 10629 from nnoeabs.peaks (1.03, 7.13, 112.66 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 133 + HE22 GLN 134 OK 99 99 100 100 4.0-7.0 11678/10630=99...(13) QD1 LEU 69 - HE22 GLN 134 far 0 68 0 - 8.4-13.2 Violated in 3 structures by 0.03 A. Peak 10630 from nnoeabs.peaks (0.76, 7.13, 112.66 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.49: QD2 LEU 43 + HE22 GLN 134 OK 49 97 50 100 2.5-8.5 9117=63, 2.1/11919=56...(14) QD1 ILE 37 - HE22 GLN 134 far 0 93 0 - 9.1-17.4 QD1 LEU 53 - HE22 GLN 134 far 0 60 0 - 9.3-16.7 Violated in 16 structures by 1.39 A. Peak 10631 from nnoeabs.peaks (1.13, 7.31, 125.67 ppm; 4.65 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + H ARG 135 OK 100 100 100 100 4.3-5.5 3.2/10624=71...(20) QG2 VAL 132 + H ARG 135 OK 99 99 100 100 4.7-5.5 3.2/10624=71...(20) HG2 LYS 39 - H ARG 135 poor 10 100 25 40 4.9-10.7 10567/10632=11...(8) HG3 LYS 39 - H ARG 135 far 0 73 0 - 6.6-11.8 Violated in 0 structures by 0.00 A. Peak 10632 from nnoeabs.peaks (1.04, 7.31, 125.67 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: QG2 VAL 133 + H ARG 135 OK 100 100 100 100 4.0-4.7 7946/7972=88...(21) Violated in 0 structures by 0.00 A. Peak 10633 from nnoeabs.peaks (0.81, 7.31, 125.67 ppm; 5.56 A): 3 out of 4 assignments used, quality = 0.87: QG1 VAL 133 + H ARG 135 OK 71 71 100 100 3.9-5.2 4.3/7972=87...(20) QG2 ILE 80 + H ARG 135 OK 39 100 65 60 5.8-8.6 3.1/9748=21...(10) QG2 ILE 129 + H ARG 135 OK 24 97 30 83 6.8-7.6 11632/10611=30...(12) HG13 ILE 80 - H ARG 135 poor 14 96 35 42 6.1-11.0 2.1/9748=24...(6) Violated in 0 structures by 0.00 A. Peak 10642 from nnoeabs.peaks (7.27, 8.71, 120.74 ppm; 6.18 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + H HIS 10 OK 100 100 100 100 2.3-5.8 6.0=100 Violated in 0 structures by 0.00 A. Peak 10647 from nnoeabs.peaks (1.37, 8.41, 122.27 ppm; 5.82 A): 1 out of 6 assignments used, quality = 0.96: QB ALA 12 + H MET 11 OK 96 97 100 100 4.4-6.0 6080/4.6=84, ~132=73...(6) HG2 LYS 19 - H MET 11 far 10 99 10 - 5.5-19.6 QB ALA 28 - H MET 11 far 5 95 5 - 5.3-27.3 QB ALA 21 - H MET 11 far 0 60 0 - 7.5-20.5 HG2 LYS 24 - H MET 11 far 0 98 0 - 8.2-25.0 QB ALA 15 - H MET 11 far 0 96 0 - 8.5-13.2 Violated in 6 structures by 0.02 A. Peak 10653 from nnoeabs.peaks (2.02, 8.44, 118.33 ppm; 5.15 A): 1 out of 10 assignments used, quality = 0.65: HB3 MET 11 + H ASN 13 OK 65 100 100 65 4.6-6.6 6076/4.3=48, 146=27, 2.9/154=7 QE MET 11 - H ASN 13 poor 20 78 25 - 3.6-8.4 HB3 GLU 30 - H ASN 13 far 5 100 5 - 5.5-28.8 HG2 PRO 56 - H ASN 13 far 5 97 5 - 6.5-45.6 HB VAL 20 - H ASN 13 far 4 89 5 - 6.1-16.2 HB3 PRO 56 - H ASN 13 far 0 87 0 - 6.9-44.4 HG3 PRO 56 - H ASN 13 far 0 97 0 - 7.1-46.4 HG2 PRO 58 - H ASN 13 far 0 99 0 - 7.2-40.4 HB3 GLU 55 - H ASN 13 far 0 76 0 - 9.9-44.3 HB VAL 63 - H ASN 13 far 0 100 0 - 10.0-39.9 Violated in 16 structures by 0.59 A. Peak 10655 from nnoeabs.peaks (1.37, 7.60, 112.82 ppm; 5.38 A): 1 out of 9 assignments used, quality = 0.98: QB ALA 12 + HD21 ASN 13 OK 98 99 100 100 3.4-5.0 10657/1.7=92...(4) QB ALA 15 - HD21 ASN 13 poor 6 92 30 23 4.7-10.0 10654/4.4=10...(3) QB ALA 29 - HD21 ASN 13 far 5 95 5 - 6.3-26.3 QB ALA 28 - HD21 ASN 13 far 5 90 5 - 3.7-23.7 QB ALA 21 - HD21 ASN 13 far 3 68 5 - 4.6-16.4 HG2 LYS 19 - HD21 ASN 13 lone 3 100 35 7 4.9-20.4 11759/3.5=2, 10654/4.4=2 HG2 LYS 24 - HD21 ASN 13 far 0 96 0 - 6.9-25.3 HG3 LYS 31 - HD21 ASN 13 far 0 76 0 - 7.2-28.2 HG3 LYS 26 - HD21 ASN 13 far 0 93 0 - 9.2-30.5 Violated in 0 structures by 0.00 A. Peak 10657 from nnoeabs.peaks (1.36, 6.90, 112.82 ppm; 4.81 A): 1 out of 11 assignments used, quality = 0.95: QB ALA 12 + HD22 ASN 13 OK 95 100 100 96 3.9-6.2 10655/1.7=60...(4) QB ALA 15 - HD22 ASN 13 poor 17 87 20 - 4.8-10.4 HG2 LYS 19 - HD22 ASN 13 far 15 100 15 - 5.0-21.1 QB ALA 46 - HE21 GLN 134 far 7 45 15 - 5.3-10.4 QB ALA 29 - HD22 ASN 13 far 5 90 5 - 5.2-26.8 QB ALA 28 - HD22 ASN 13 far 4 85 5 - 3.2-24.3 QB ALA 21 - HD22 ASN 13 far 4 76 5 - 3.4-16.4 HG3 LYS 31 - HD22 ASN 13 far 0 68 0 - 7.1-29.1 HG2 LYS 24 - HD22 ASN 13 far 0 92 0 - 7.4-25.6 HG3 LYS 26 - HD22 ASN 13 far 0 89 0 - 8.0-30.5 HB2 LEU 42 - HE21 GLN 134 far 0 60 0 - 8.3-14.4 Violated in 13 structures by 0.16 A. Peak 10659 from nnoeabs.peaks (1.35, 8.37, 109.62 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.98: QB ALA 12 + H GLY 14 OK 95 100 100 95 2.1-4.4 6085/4.7=55, 5.0/6106=53...(8) QB ALA 15 + H GLY 14 OK 60 65 100 92 3.8-5.7 2.9/6113=67...(10) QB ALA 21 - H GLY 14 far 9 93 10 - 3.9-15.2 HG2 LYS 19 - H GLY 14 lone 2 98 35 5 3.6-15.4 10654/6106=1, 11759/6107=1 QB ALA 28 - H GLY 14 far 0 63 0 - 6.6-22.5 HG2 LYS 24 - H GLY 14 far 0 73 0 - 7.4-24.1 QB ALA 110 - H GLY 14 far 0 65 0 - 8.5-46.2 QB ALA 29 - H GLY 14 far 0 71 0 - 8.6-23.9 Violated in 0 structures by 0.00 A. Peak 10666 from nnoeabs.peaks (2.12, 8.03, 122.31 ppm; 3.95 A): 0 out of 4 assignments used, quality = 0.00: HB VAL 112 - H ALA 16 far 5 100 5 - 4.4-50.0 HB2 PRO 56 - H ALA 16 far 5 95 5 - 5.4-44.4 HB2 GLU 97 - H TYR 76 far 0 39 0 - 9.1-12.7 HB2 GLN 61 - H ALA 16 far 0 71 0 - 9.8-33.6 Violated in 20 structures by 5.99 A. Peak 10667 from nnoeabs.peaks (0.93, 8.03, 122.31 ppm; 3.78 A): 1 out of 10 assignments used, quality = 0.20: QG2 ILE 37 + H TYR 76 OK 20 47 45 95 3.5-9.4 11155/3.0=44...(13) QG1 VAL 20 - H ALA 16 poor 18 73 25 - 3.9-8.9 QG2 VAL 112 - H ALA 16 far 15 99 15 - 2.5-42.8 QG1 VAL 57 - H ALA 16 far 4 89 5 - 4.7-31.6 QG2 ILE 37 - H ALA 16 far 0 100 0 - 5.6-26.5 QD1 LEU 119 - H ALA 16 far 0 97 0 - 7.4-35.5 QD1 LEU 48 - H ALA 16 far 0 99 0 - 7.9-26.6 QG1 VAL 105 - H ALA 16 far 0 63 0 - 7.9-38.0 QG1 VAL 126 - H TYR 76 far 0 28 0 - 8.5-11.5 QD2 LEU 48 - H ALA 16 far 0 76 0 - 8.6-25.9 Violated in 17 structures by 2.40 A. Peak 10683 from nnoeabs.peaks (1.36, 7.97, 113.82 ppm; 3.82 A): 1 out of 12 assignments used, quality = 0.59: HG2 LYS 19 + H THR 18 OK 59 99 75 80 3.1-6.6 6151/6144=47...(7) QB ALA 21 - H THR 18 poor 16 90 55 31 1.9-8.7 10686/3.0=13...(6) QB ALA 15 - H THR 18 lone 5 71 45 16 2.4-7.7 10679/3.6=5, 10679/3.6=4...(4) HG2 LYS 36 - H THR 18 far 4 76 5 - 3.4-33.1 QB ALA 12 - H THR 18 lone 3 100 45 6 2.7-12.0 10686/3.0=2, 6151/6144=1 HG2 LYS 24 - H THR 18 far 0 78 0 - 5.7-17.1 QB ALA 110 - H THR 18 far 0 71 0 - 6.1-46.0 QB ALA 28 - H THR 18 far 0 68 0 - 6.4-20.2 HG3 LYS 26 - H THR 18 far 0 73 0 - 8.5-21.8 QB ALA 108 - H THR 18 far 0 65 0 - 8.6-41.7 QB ALA 29 - H THR 18 far 0 76 0 - 9.1-21.3 HB2 LEU 42 - H THR 18 far 0 81 0 - 9.4-34.2 Violated in 17 structures by 0.70 A. Peak 10698 from nnoeabs.peaks (0.91, 8.35, 123.97 ppm; 4.36 A): 3 out of 9 assignments used, quality = 1.00: QG1 VAL 20 + H LYS 19 OK 100 100 100 100 2.5-4.4 348/6159=77...(15) QG2 VAL 20 + H LYS 19 OK 75 89 90 94 3.6-5.9 4.0/6159=64...(13) QD1 LEU 22 + H LYS 19 OK 22 93 45 52 4.6-10.0 409/3.0=13, 10702/6149=6...(20) QD1 LEU 48 - H LYS 19 far 5 92 5 - 4.2-26.3 QG2 ILE 37 - H LYS 19 far 3 65 5 - 5.8-25.2 QG2 VAL 112 - H LYS 19 far 0 92 0 - 6.6-42.4 QD2 LEU 48 - H LYS 19 far 0 100 0 - 6.9-26.1 QD1 LEU 49 - H LYS 19 far 0 100 0 - 9.1-28.6 QD2 LEU 123 - H LYS 19 far 0 73 0 - 9.6-30.4 Violated in 0 structures by 0.00 A. Peak 10699 from nnoeabs.peaks (3.98, 8.35, 123.97 ppm; 4.31 A): 3 out of 7 assignments used, quality = 0.99: HA VAL 20 + H LYS 19 OK 93 95 100 98 4.2-5.3 3.0/6159=80...(13) HA2 GLY 17 + H LYS 19 OK 60 90 85 79 3.4-7.0 3.6/6144=73, 6169/6159=7...(7) HA3 GLY 17 + H LYS 19 OK 58 90 85 76 4.1-7.0 3.6/6144=73...(5) HB3 SER 51 - H LYS 19 far 5 100 5 - 4.0-36.6 HB3 SER 106 - H LYS 19 far 0 100 0 - 7.0-49.3 HB2 SER 106 - H LYS 19 far 0 97 0 - 7.1-49.2 HA SER 50 - H LYS 19 far 0 85 0 - 9.5-35.8 Violated in 2 structures by 0.04 A. Peak 10700 from nnoeabs.peaks (4.79, 8.35, 123.97 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.52: HA ASN 85 + H LYS 86 OK 52 52 100 100 3.4-3.5 3.6=100 HA GLU 55 - H LYS 19 far 0 81 0 - 9.9-40.5 Violated in 0 structures by 0.00 A. Peak 10716 from nnoeabs.peaks (1.18, 8.06, 121.67 ppm; 5.52 A): 1 out of 4 assignments used, quality = 0.98: QG2 THR 18 + H VAL 20 OK 98 100 100 99 2.4-4.9 4.3/6159=84...(8) QG2 THR 25 - H VAL 20 far 10 96 10 - 5.3-14.0 QB ALA 41 - H VAL 20 far 0 100 0 - 7.0-26.0 HG12 ILE 32 - H VAL 20 far 0 95 0 - 8.5-21.9 Violated in 0 structures by 0.00 A. Peak 10724 from nnoeabs.peaks (3.99, 8.15, 121.80 ppm; 4.75 A): 1 out of 9 assignments used, quality = 0.99: HA VAL 20 + H LEU 22 OK 99 100 100 99 3.0-6.0 6176/6184=92...(10) HB2 SER 38 - H LEU 22 far 4 81 5 - 5.8-31.9 HB2 SER 106 - H LEU 22 far 0 65 0 - 6.5-42.9 HB3 SER 106 - H LEU 22 far 0 92 0 - 7.4-43.1 HA THR 65 - H LEU 22 far 0 76 0 - 8.4-24.0 HB3 SER 51 - H LEU 22 far 0 96 0 - 8.8-31.1 HA GLN 68 - H LEU 22 far 0 100 0 - 8.8-24.7 HA ILE 37 - H LEU 22 far 0 65 0 - 8.9-29.4 HA SER 60 - H LEU 22 far 0 90 0 - 9.2-30.6 Violated in 2 structures by 0.08 A. Peak 10726 from nnoeabs.peaks (1.34, 8.24, 121.99 ppm; 4.59 A): 1 out of 3 assignments used, quality = 0.81: QB ALA 21 + H ARG 23 OK 81 100 100 81 2.8-5.7 6186/4.6=63...(5) HG2 LYS 19 - H ARG 23 far 0 71 0 - 6.3-14.1 QB ALA 12 - H ARG 23 far 0 83 0 - 6.6-13.2 Violated in 14 structures by 0.33 A. Peak 10733 from nnoeabs.peaks (0.92, 8.37, 122.93 ppm; 4.81 A): 2 out of 8 assignments used, quality = 0.70: QD1 LEU 22 + H LYS 24 OK 59 78 100 75 3.0-6.1 3.1/6216=28...(8) QG1 VAL 20 + H LYS 24 OK 27 98 45 61 4.6-9.3 10713/4.6=33...(4) QG2 VAL 20 - H LYS 24 poor 17 71 60 41 3.3-7.6 10727/424=21...(5) QG1 VAL 118 - H LYS 24 far 0 89 0 - 6.4-25.4 QD1 LEU 48 - H LYS 24 far 0 99 0 - 6.9-20.8 QD2 LEU 48 - H LYS 24 far 0 99 0 - 7.5-21.3 QG2 ILE 37 - H LYS 24 far 0 85 0 - 7.8-21.1 QD1 LEU 119 - H LYS 24 far 0 71 0 - 8.9-26.8 Violated in 9 structures by 0.33 A. Peak 10740 from nnoeabs.peaks (1.19, 8.37, 122.93 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.98: QG2 THR 25 + H LYS 24 OK 98 99 100 99 3.1-5.6 6242/6228=96, 592=29...(9) QB ALA 41 - H LYS 24 far 4 76 5 - 5.3-22.6 QG2 THR 18 - H LYS 24 lone 3 78 35 12 4.2-12.2 10689/6212=9, 589/424=1 Violated in 8 structures by 0.06 A. Peak 10758 from nnoeabs.peaks (1.19, 8.39, 121.72 ppm; 4.47 A): 1 out of 4 assignments used, quality = 0.88: QG2 THR 25 + H GLN 27 OK 88 100 95 92 4.3-6.5 6248/4.6=56...(11) HG12 ILE 32 - H GLN 27 poor 18 68 40 68 3.5-11.7 10844/4.6=18...(15) QB ALA 41 - H GLN 27 far 4 87 5 - 4.2-19.1 QG2 THR 18 - H GLN 27 far 0 89 0 - 7.2-18.8 Violated in 18 structures by 0.66 A. Peak 10769 from nnoeabs.peaks (1.83, 8.33, 125.44 ppm; 4.55 A): 1 out of 9 assignments used, quality = 0.63: HB3 LYS 26 + H ALA 28 OK 63 92 75 92 4.2-7.4 1.8/10770=71...(18) HB3 LYS 31 - H ALA 28 poor 16 78 20 - 4.1-10.9 HB3 ARG 23 - H ALA 28 far 14 97 15 - 2.5-13.0 HB ILE 32 - H ALA 28 far 5 90 5 - 6.0-11.5 HB3 LYS 24 - H ALA 28 far 4 83 5 - 3.7-13.3 HB3 LYS 19 - H ALA 28 far 4 78 5 - 4.5-22.0 HB2 LYS 36 - H ALA 28 far 0 89 0 - 7.6-21.1 HB VAL 93 - H ALA 28 far 0 99 0 - 8.1-26.1 HB2 LEU 100 - H ALA 28 far 0 96 0 - 9.7-20.3 Violated in 19 structures by 1.07 A. Peak 10770 from nnoeabs.peaks (1.76, 8.33, 125.44 ppm; 4.48 A): 1 out of 8 assignments used, quality = 0.90: HB2 LYS 26 + H ALA 28 OK 90 96 100 95 3.6-5.8 1.8/10769=76...(19) HB2 LEU 48 - H ALA 28 far 13 85 15 - 4.1-22.8 HB2 LYS 31 - H ALA 28 poor 11 85 25 53 4.3-10.3 3.5/10771=24...(7) HB2 ARG 23 - H ALA 28 far 10 99 10 - 3.1-13.2 HB2 LYS 19 - H ALA 28 far 5 96 5 - 5.5-21.2 HB2 LYS 24 - H ALA 28 far 5 92 5 - 4.2-12.1 HB3 LEU 98 - H ALA 28 far 0 76 0 - 7.4-26.5 HG LEU 100 - H ALA 28 far 0 92 0 - 8.6-19.8 Violated in 10 structures by 0.41 A. Peak 10771 from nnoeabs.peaks (1.67, 8.33, 125.44 ppm; 5.41 A): 0 out of 13 assignments used, quality = 0.00: HD2 LYS 26 - H ALA 28 poor 20 98 20 - 3.6-8.6 HD3 LYS 26 - H ALA 28 poor 19 97 20 - 4.6-8.1 HD2 LYS 31 - H ALA 28 poor 16 99 35 46 4.0-10.6 6.2/6307=11, 3.5/10770=9...(16) HD2 LYS 24 - H ALA 28 far 15 99 15 - 4.9-14.1 HD3 LYS 31 - H ALA 28 poor 13 98 30 45 4.8-10.2 6.2/6307=11, 3.5/10770=9...(10) HD3 LYS 24 - H ALA 28 far 10 98 10 - 4.7-13.2 HB2 LEU 98 - H ALA 28 far 4 89 5 - 5.9-27.3 HD2 LYS 19 - H ALA 28 far 4 83 5 - 6.1-22.8 HD3 LYS 19 - H ALA 28 far 4 83 5 - 6.5-23.8 HD3 LYS 36 - H ALA 28 far 0 100 0 - 7.5-17.7 HD2 LYS 36 - H ALA 28 far 0 100 0 - 8.4-17.0 HD2 LYS 95 - H ALA 28 far 0 92 0 - 9.4-28.5 HG LEU 43 - H ALA 28 far 0 68 0 - 9.7-24.3 Violated in 8 structures by 0.21 A. Peak 10772 from nnoeabs.peaks (1.19, 8.33, 125.44 ppm; 5.25 A): 2 out of 4 assignments used, quality = 0.86: QG2 THR 25 + H ALA 28 OK 74 100 80 93 3.5-8.2 10758/4.6=50...(14) HG12 ILE 32 + H ALA 28 OK 45 76 65 92 4.3-9.2 10844/4.9=29...(24) QG2 THR 18 - H ALA 28 far 5 93 5 - 5.0-19.3 QB ALA 41 - H ALA 28 far 5 92 5 - 5.9-16.9 Violated in 7 structures by 0.16 A. Peak 10787 from nnoeabs.peaks (1.96, 8.25, 122.97 ppm; 4.41 A): 3 out of 8 assignments used, quality = 1.00: HB2 GLU 30 + H ALA 29 OK 99 100 100 99 4.1-5.7 6318/4.6=61...(29) HB2 GLN 27 + H ALA 29 OK 86 98 90 97 3.6-6.2 1.8/10788=73...(18) HB2 GLU 30 + H LYS 31 OK 50 51 100 100 2.0-3.9 4.6=86, 6318/4.6=61...(18) HB2 GLN 27 - H LYS 31 poor 12 47 25 - 3.3-8.8 HG LEU 53 - H ALA 29 far 0 83 0 - 7.4-23.8 HB3 ARG 90 - H ALA 29 far 0 100 0 - 8.9-27.5 HB2 PRO 58 - H LYS 31 far 0 49 0 - 9.1-25.6 HB2 PRO 58 - H ALA 29 far 0 99 0 - 9.9-22.5 Violated in 0 structures by 0.00 A. Peak 10788 from nnoeabs.peaks (2.05, 8.25, 122.97 ppm; 4.59 A): 1 out of 12 assignments used, quality = 0.89: HB3 GLN 27 + H ALA 29 OK 89 99 95 94 3.3-7.1 6298/4.6=60...(14) HB3 GLU 44 - H ALA 29 poor 15 76 20 - 4.3-22.5 HB3 GLN 27 - H LYS 31 poor 10 49 20 - 4.8-9.5 HB3 GLU 44 - H LYS 31 far 2 32 5 - 5.6-21.5 QE MET 11 - H ALA 29 far 0 93 0 - 7.6-24.7 HG3 PRO 58 - H LYS 31 far 0 40 0 - 7.6-25.5 HG3 PRO 58 - H ALA 29 far 0 89 0 - 7.8-22.6 HG2 PRO 58 - H LYS 31 far 0 25 0 - 7.9-27.2 HG2 PRO 58 - H ALA 29 far 0 63 0 - 8.1-24.3 QE MET 11 - H LYS 31 far 0 43 0 - 9.0-26.2 HB2 LEU 62 - H ALA 29 far 0 100 0 - 9.8-19.3 HB3 GLU 40 - H LYS 31 far 0 37 0 - 9.9-23.9 Violated in 17 structures by 0.67 A. Peak 10802 from nnoeabs.peaks (0.80, 8.23, 122.66 ppm; 4.75 A): 2 out of 17 assignments used, quality = 0.80: QD1 ILE 32 + H LYS 31 OK 71 73 100 97 2.8-5.5 2.1/6333=33, 6356/4.7=31...(29) QD1 ILE 32 + H ALA 29 OK 31 31 100 100 1.8-5.3 10737/2.9=63...(26) QG1 VAL 63 - H ALA 29 far 6 38 15 - 2.4-14.0 QD2 LEU 49 - H ALA 29 far 2 50 5 - 5.7-14.3 QD1 LEU 70 - H ALA 29 far 2 38 5 - 4.8-16.7 QG1 VAL 63 - H LYS 31 far 0 87 0 - 6.5-14.9 QD1 ILE 37 - H ALA 29 far 0 33 0 - 6.7-12.7 QD1 LEU 96 - H ALA 29 far 0 24 0 - 6.9-15.9 QD1 LEU 70 - H LYS 31 far 0 87 0 - 7.0-16.9 QD1 LEU 53 - H ALA 29 far 0 49 0 - 7.4-21.2 QD1 ILE 37 - H LYS 31 far 0 78 0 - 7.8-12.7 QD2 LEU 49 - H LYS 31 far 0 100 0 - 8.1-15.0 QD1 LEU 103 - H ALA 29 far 0 37 0 - 8.3-18.5 QD1 LEU 122 - H ALA 29 far 0 49 0 - 8.9-15.5 QD2 LEU 122 - H ALA 29 far 0 43 0 - 9.3-14.2 QG2 ILE 129 - H ALA 29 far 0 35 0 - 9.5-17.8 QD2 LEU 119 - H ALA 29 far 0 51 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 10806 from nnoeabs.peaks (8.35, 8.14, 122.30 ppm; 3.87 A): 0 out of 8 assignments used, quality = 0.00: H ALA 28 - H ILE 32 poor 14 71 20 - 4.5-9.5 H LYS 26 - H ILE 32 far 13 87 15 - 4.3-14.0 H LYS 19 - H ILE 32 far 0 100 0 - 6.2-23.8 H THR 65 - H ILE 32 far 0 63 0 - 6.2-17.4 H GLY 14 - H ILE 32 far 0 93 0 - 6.2-25.8 H GLU 44 - H ILE 32 far 0 85 0 - 7.8-18.6 H LYS 24 - H ILE 32 far 0 89 0 - 8.0-17.4 H HIS 3 - H ILE 32 far 0 65 0 - 9.8-51.9 Violated in 20 structures by 1.74 A. Peak 10819 from nnoeabs.peaks (4.23, 8.14, 122.30 ppm; 3.47 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 29 + H ILE 32 OK 98 100 100 98 2.9-4.8 10734/895=55...(15) HA GLU 30 + H ILE 32 OK 84 100 100 85 3.0-4.9 3.0/10829=34...(12) HA GLN 27 - H ILE 32 far 9 93 10 - 4.6-10.1 HB THR 25 - H ILE 32 far 0 63 0 - 5.3-16.4 HA ALA 28 - H ILE 32 far 0 99 0 - 6.3-8.2 HA ALA 34 - H ILE 32 far 0 100 0 - 7.8-9.5 HA HIS 67 - H ILE 32 far 0 96 0 - 8.1-14.4 Violated in 3 structures by 0.02 A. Peak 10829 from nnoeabs.peaks (1.94, 8.14, 122.30 ppm; 4.74 A): 1 out of 4 assignments used, quality = 0.82: HB2 GLU 30 + H ILE 32 OK 82 83 100 99 4.3-6.0 1.8/10830=74...(13) HB2 GLN 27 - H ILE 32 poor 12 60 20 - 5.1-10.1 HB2 PRO 58 - H ILE 32 far 0 95 0 - 9.7-25.1 HB3 LEU 49 - H ILE 32 far 0 83 0 - 9.7-18.3 Violated in 13 structures by 0.38 A. Peak 10830 from nnoeabs.peaks (2.02, 8.14, 122.30 ppm; 4.94 A): 1 out of 6 assignments used, quality = 0.99: HB3 GLU 30 + H ILE 32 OK 99 100 100 99 4.6-6.0 1.8/10829=84...(9) HB2 GLU 44 - H ILE 32 far 5 100 5 - 5.5-18.5 HB VAL 20 - H ILE 32 far 4 85 5 - 6.0-20.8 HB3 GLU 40 - H ILE 32 far 0 92 0 - 8.5-21.9 HG2 PRO 58 - H ILE 32 far 0 99 0 - 8.9-26.5 HB VAL 63 - H ILE 32 far 0 100 0 - 9.4-18.3 Violated in 18 structures by 0.39 A. Peak 10855 from nnoeabs.peaks (1.67, 8.23, 119.56 ppm; 4.47 A): 2 out of 11 assignments used, quality = 1.00: HD3 LYS 36 + H SER 33 OK 98 100 100 98 1.7-5.7 10775/3.0=31...(24) HD2 LYS 36 + H SER 33 OK 93 100 95 98 1.8-6.2 10775/3.0=40...(24) HD2 LYS 26 - H SER 33 poor 19 92 45 46 3.0-19.9 10763/6360=10...(13) HD3 LYS 26 - H SER 33 poor 19 89 45 47 2.7-19.1 10767/6363=10...(13) HD2 LYS 31 - H SER 33 far 5 93 5 - 5.9-9.8 HD3 LYS 24 - H SER 33 far 5 92 5 - 5.9-21.4 HD3 LYS 31 - H SER 33 far 0 92 0 - 6.0-9.8 HD2 LYS 24 - H SER 33 far 0 93 0 - 6.9-20.4 HB2 LEU 69 - H SER 33 far 0 99 0 - 8.9-12.9 HD2 LYS 19 - H SER 33 far 0 68 0 - 9.0-30.1 HD3 LYS 19 - H SER 33 far 0 68 0 - 9.3-31.6 Violated in 2 structures by 0.07 A. Peak 10867 from nnoeabs.peaks (7.98, 8.43, 125.99 ppm; 4.56 A): 2 out of 5 assignments used, quality = 0.95: H LYS 36 + H ALA 34 OK 87 92 100 95 3.1-4.7 10896/6369=55...(6) H ILE 37 + H ALA 34 OK 63 93 100 67 4.2-5.7 10869/3.0=31...(5) H THR 18 - H ALA 12 far 12 80 15 - 3.5-15.5 H SER 38 - H ALA 34 far 10 100 10 - 5.5-8.3 H THR 18 - H ALA 34 far 0 99 0 - 8.9-30.3 Violated in 0 structures by 0.00 A. Peak 10870 from nnoeabs.peaks (1.82, 8.43, 125.99 ppm; 5.11 A): 2 out of 12 assignments used, quality = 0.87: HB ILE 32 + H ALA 34 OK 65 100 65 100 3.5-7.5 2.1/10811=89...(11) HB2 LYS 36 + H ALA 34 OK 62 100 65 96 4.3-8.0 10884/4.6=51...(8) HB3 LYS 24 - H ALA 34 far 5 100 5 - 3.7-22.1 HB3 LYS 26 - H ALA 34 far 5 100 5 - 6.6-20.3 HB3 LYS 19 - H ALA 12 far 4 82 5 - 3.9-21.4 HB3 LYS 31 - H ALA 12 far 4 82 5 - 6.0-27.6 HB2 CYS 79 - H ALA 34 far 4 78 5 - 6.6-18.6 HB2 CYS 79 - H ALA 12 far 3 58 5 - 4.4-43.7 HB3 ARG 23 - H ALA 34 far 0 99 0 - 8.1-26.5 HB3 LYS 31 - H ALA 34 far 0 100 0 - 8.1-11.4 HB3 LYS 24 - H ALA 12 far 0 83 0 - 8.3-21.6 HB3 LYS 26 - H ALA 12 far 0 83 0 - 9.6-27.2 Violated in 16 structures by 0.38 A. Peak 10884 from nnoeabs.peaks (1.82, 8.38, 118.19 ppm; 4.29 A): 1 out of 17 assignments used, quality = 0.88: HB2 LYS 36 + H ASP 35 OK 88 100 90 98 3.9-6.0 6392/6387=79...(14) HB ILE 32 - H ASP 35 poor 17 100 25 67 4.6-9.0 10810/4.6=32...(6) HB3 ARG 23 - H ASP 35 far 5 100 5 - 5.7-28.3 HB3 LYS 24 - H ASP 35 far 5 99 5 - 2.6-24.1 HB ILE 32 - H THR 65 far 5 97 5 - 5.5-15.9 HB2 CYS 79 - H ASP 35 far 4 87 5 - 5.7-18.1 HB3 LYS 26 - H ASP 35 far 0 100 0 - 6.3-21.5 HB3 LYS 24 - H THR 65 far 0 96 0 - 6.8-21.7 HB3 LEU 122 - H THR 65 far 0 61 0 - 7.0-12.7 HB3 LYS 26 - H THR 65 far 0 97 0 - 7.3-21.7 HB3 LYS 31 - H ASP 35 far 0 98 0 - 7.5-11.7 HB3 LYS 31 - H THR 65 far 0 94 0 - 8.2-20.6 HB3 LEU 123 - H THR 65 far 0 75 0 - 8.6-13.5 HB2 LEU 100 - H THR 65 far 0 98 0 - 8.7-10.1 HB3 LEU 103 - H THR 65 far 0 58 0 - 8.9-11.1 HB2 LYS 36 - H THR 65 far 0 97 0 - 9.2-19.1 HB3 ARG 23 - H THR 65 far 0 97 0 - 9.7-22.8 Violated in 18 structures by 0.64 A. Peak 10890 from nnoeabs.peaks (1.27, 8.00, 120.91 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.96: HG12 ILE 37 + H LYS 36 OK 96 96 100 100 2.7-4.9 2.9/10894=84...(17) Violated in 0 structures by 0.00 A. Peak 10891 from nnoeabs.peaks (0.94, 8.00, 120.91 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 37 + H LYS 36 OK 100 100 100 100 3.1-5.4 2.1/10894=88...(22) QD2 LEU 48 - H LYS 36 far 0 57 0 - 6.9-15.7 QD1 LEU 48 - H LYS 36 far 0 92 0 - 7.4-14.1 Violated in 11 structures by 0.21 A. Peak 10892 from nnoeabs.peaks (0.85, 8.00, 120.91 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 32 + H LYS 36 OK 100 100 100 100 2.4-6.2 10810/6393=72...(20) QD2 LEU 69 - H LYS 36 far 0 93 0 - 6.7-12.0 QD2 LEU 22 - H LYS 36 far 0 93 0 - 8.1-26.6 Violated in 5 structures by 0.21 A. Peak 10893 from nnoeabs.peaks (0.79, 8.00, 120.91 ppm; 5.35 A): 2 out of 4 assignments used, quality = 0.96: QD1 ILE 37 + H LYS 36 OK 93 93 100 100 2.9-5.9 3.2/10894=84...(23) QD1 ILE 32 + H LYS 36 OK 39 90 45 95 4.5-8.6 3.0/10892=76...(15) QD2 LEU 49 - H LYS 36 far 0 100 0 - 8.7-13.7 QD1 LEU 70 - H LYS 36 far 0 68 0 - 9.1-15.2 Violated in 1 structures by 0.02 A. Peak 10894 from nnoeabs.peaks (1.97, 8.00, 120.91 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.89: HB ILE 37 + H LYS 36 OK 89 100 90 99 4.6-5.8 6413/4.4=58...(17) HB2 GLN 27 - H LYS 36 far 0 100 0 - 8.4-18.5 Violated in 20 structures by 1.03 A. Peak 10896 from nnoeabs.peaks (8.23, 8.00, 120.91 ppm; 4.52 A): 1 out of 4 assignments used, quality = 0.91: H SER 33 + H LYS 36 OK 91 100 100 91 3.0-5.7 6362/10892=54...(13) H ARG 23 - H LYS 36 far 0 87 0 - 8.0-26.9 H ALA 29 - H LYS 36 far 0 81 0 - 8.6-15.1 H LYS 31 - H LYS 36 far 0 99 0 - 8.8-12.5 Violated in 5 structures by 0.11 A. Peak 10904 from nnoeabs.peaks (1.17, 7.97, 121.77 ppm; 4.68 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 41 + H ILE 37 OK 100 100 100 100 2.3-4.7 10819/6414=82...(20) QG2 THR 25 - H ILE 37 far 0 83 0 - 6.7-20.4 HG12 ILE 32 - H ILE 37 far 0 100 0 - 6.8-10.3 QG2 THR 18 - H ILE 37 far 0 100 0 - 7.0-29.9 HG3 LYS 39 - H ILE 37 far 0 97 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 10926 from nnoeabs.peaks (1.40, 8.28, 116.30 ppm; 6.80 A): 6 out of 18 assignments used, quality = 1.00: HG LEU 96 + H SER 99 OK 89 89 100 100 6.0-6.5 3090/3.4=43...(32) HB2 LEU 42 + H GLU 40 OK 83 85 100 98 4.6-6.5 1147/3.6=79...(7) HG3 LYS 95 + H SER 99 OK 76 81 100 93 5.4-7.8 3.9/2960=44, 4.6/7386=21...(16) HG2 LYS 95 + H SER 99 OK 75 84 100 90 6.0-7.5 3.9/2960=44, 4.6/7386=21...(14) HB2 LEU 96 + H SER 99 OK 73 73 100 100 6.0-6.7 4.4/7350=46, 3073/3.4=37...(39) HB3 LEU 100 + H SER 99 OK 72 72 100 100 4.9-6.0 4.6/7407=79, ~3257=74...(34) QB ALA 109 - H SER 99 far 8 85 10 - 7.4-16.4 QB ALA 110 - H SER 99 far 8 77 10 - 4.8-19.5 QB ALA 16 - H GLU 40 far 5 99 5 - 7.6-30.5 HG2 LYS 36 - H GLU 40 far 4 89 5 - 7.6-13.7 HG2 LYS 24 - H GLU 40 far 4 87 5 - 5.8-30.2 QB ALA 29 - H SER 99 far 4 73 5 - 8.2-16.9 HG2 LYS 24 - H SER 99 far 4 72 5 - 6.9-33.4 QB ALA 34 - H GLU 40 lone 3 81 25 13 7.0-11.8 10878/9029=10 QB ALA 108 - H SER 99 lone 1 80 30 6 4.0-15.3 10264/11534=2 QB ALA 15 - H GLU 40 far 0 92 0 - 8.3-33.4 QB ALA 29 - H GLU 40 far 0 89 0 - 9.5-17.6 QB ALA 28 - H SER 99 far 0 78 0 - 9.5-19.9 Violated in 0 structures by 0.00 A. Peak 10927 from nnoeabs.peaks (0.71, 8.28, 116.30 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 43 + H GLU 40 OK 97 97 100 100 3.5-5.8 9055/2.8=84, ~11897=61...(30) QD2 LEU 100 + H SER 99 OK 47 47 100 99 4.1-6.4 ~7401=49, ~7398=39...(19) Violated in 2 structures by 0.03 A. Peak 10934 from nnoeabs.peaks (4.01, 7.89, 122.33 ppm; 4.77 A): 2 out of 3 assignments used, quality = 1.00: HB2 SER 38 + H ALA 41 OK 100 100 100 100 2.6-4.5 1.8/9033=80, ~9042=50...(10) HA ILE 37 + H ALA 41 OK 69 100 70 99 4.2-6.9 10905/3.0=65, ~10819=41...(11) HD3 PRO 81 - H ALA 41 far 0 78 0 - 8.3-14.1 Violated in 0 structures by 0.00 A. Peak 10940 from nnoeabs.peaks (2.06, 8.29, 119.18 ppm; 4.95 A): 4 out of 8 assignments used, quality = 0.97: HB3 GLU 44 + H LEU 43 OK 76 78 100 97 4.6-6.1 4.7/6535=55, 1410/3.9=51...(10) HB3 GLU 40 + H LEU 43 OK 76 83 100 91 5.4-6.4 4.6/6496=43, 3.0/6495=41...(14) HB3 LYS 39 + H LEU 43 OK 40 76 55 95 4.9-6.8 3.0/6494=55...(11) HG3 GLN 134 + H LEU 43 OK 27 68 45 87 5.0-9.9 9125/6509=40...(15) HB3 GLN 27 - H LEU 43 far 5 100 5 - 5.2-24.6 HG3 PRO 81 - H LEU 43 far 0 100 0 - 8.0-14.9 HB2 GLN 127 - H LEU 43 far 0 100 0 - 8.5-13.2 HG3 ARG 135 - H LEU 43 far 0 76 0 - 9.6-13.2 Violated in 3 structures by 0.01 A. Peak 10942 from nnoeabs.peaks (1.17, 8.29, 119.18 ppm; 4.64 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 41 + H LEU 43 OK 99 100 100 100 4.3-4.9 1285/3.9=69, 9066/3.6=55...(20) HG3 LYS 39 + H LEU 43 OK 85 87 100 98 3.7-5.8 11901/6509=64...(20) QG2 THR 25 - H LEU 43 far 5 95 5 - 5.6-23.7 HG12 ILE 32 - H LEU 43 far 0 96 0 - 7.9-18.0 QG2 VAL 77 - H LEU 43 far 0 99 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 10950 from nnoeabs.peaks (0.88, 8.54, 121.48 ppm; 5.01 A): 1 out of 7 assignments used, quality = 0.98: QD2 LEU 69 + H ALA 46 OK 98 98 100 100 2.3-4.8 2.1/11083=93, 11085=89...(23) QG2 ILE 32 - H ALA 46 far 11 73 15 - 5.9-10.6 QD2 LEU 123 - H ALA 46 far 10 99 10 - 6.4-10.8 QD2 LEU 70 - H ALA 46 far 4 78 5 - 6.2-12.0 QG1 VAL 20 - H ALA 46 far 0 60 0 - 7.6-24.8 QG2 VAL 20 - H ALA 46 far 0 95 0 - 8.2-25.0 QD1 LEU 22 - H HIS 5 far 0 80 0 - 9.5-32.2 Violated in 0 structures by 0.00 A. Peak 10963 from nnoeabs.peaks (0.81, 8.03, 125.41 ppm; 4.62 A): 1 out of 7 assignments used, quality = 0.85: QD1 LEU 53 + H ALA 52 OK 85 85 100 100 4.5-5.9 1670/3.3=52, 2.1/9234=46...(26) QD2 LEU 119 - H ALA 52 poor 19 96 20 - 5.4-15.7 QD2 LEU 49 - H ALA 52 far 0 90 0 - 6.1-6.5 QD2 LEU 122 - H ALA 52 far 0 68 0 - 7.3-10.8 QD1 LEU 122 - H ALA 52 far 0 99 0 - 7.5-9.8 QD2 LEU 22 - H ALA 52 far 0 60 0 - 8.9-26.2 QD1 LEU 70 - H ALA 52 far 0 99 0 - 9.5-15.3 Violated in 19 structures by 0.83 A. Peak 10968 from nnoeabs.peaks (1.41, 8.01, 121.40 ppm; 5.06 A): 0 out of 7 assignments used, quality = 0.00: QB ALA 16 - H VAL 57 far 5 100 5 - 6.4-33.6 QB ALA 15 - H VAL 57 far 4 76 5 - 4.5-37.1 QB ALA 110 - H VAL 57 far 4 76 5 - 4.9-16.3 QB ALA 109 - H VAL 57 far 0 89 0 - 7.5-14.6 QB ALA 29 - H VAL 57 far 0 71 0 - 7.7-18.7 QB ALA 28 - H VAL 57 far 0 78 0 - 8.9-22.2 QB ALA 108 - H VAL 57 far 0 81 0 - 9.3-16.4 Violated in 19 structures by 3.62 A. Peak 10969 from nnoeabs.peaks (1.87, 8.01, 121.40 ppm; 4.84 A): 0 out of 2 assignments used, quality = 0.00: HB3 LEU 119 - H VAL 57 poor 7 100 35 21 4.3-12.4 3.0/6707=20 HB3 LEU 123 - H VAL 57 far 0 100 0 - 8.3-12.7 Violated in 19 structures by 2.12 A. Peak 10975 from nnoeabs.peaks (2.42, 8.66, 113.17 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.99: HB3 PRO 58 + H SER 60 OK 97 99 100 99 2.2-4.2 2.3/9338=62, 9330=58...(15) HG3 GLN 61 + H SER 60 OK 43 99 55 78 4.1-6.4 4.5/6750=41...(12) HG3 GLU 55 - H SER 50 far 0 66 0 - 8.4-11.1 HG3 GLN 61 - H SER 50 far 0 92 0 - 8.7-12.9 Violated in 0 structures by 0.00 A. Peak 10978 from nnoeabs.peaks (2.03, 8.66, 113.17 ppm; 4.39 A): 3 out of 13 assignments used, quality = 1.00: HG2 PRO 58 + H SER 60 OK 97 100 100 98 3.3-5.0 2.3/9330=55, 3.8/9338=49...(16) HB VAL 63 + H SER 60 OK 95 98 100 97 4.7-5.5 2020/2.8=72, ~10978=46...(12) HB2 LEU 62 + H SER 60 OK 31 68 55 82 4.8-6.6 1880/3.6=47, 3.9/6746=28...(11) HB2 GLN 127 - H SER 50 far 6 59 10 - 4.7-7.9 HB3 GLU 30 - H SER 60 far 0 97 0 - 6.3-25.2 QE MET 11 - H SER 60 far 0 97 0 - 7.1-38.9 HB VAL 20 - H SER 50 far 0 52 0 - 7.6-30.0 HB3 GLU 55 - H SER 50 far 0 88 0 - 8.2-11.7 HB ILE 129 - H SER 50 far 0 54 0 - 8.4-11.5 HB2 GLU 44 - H SER 50 far 0 91 0 - 8.6-10.1 HB2 LEU 62 - H SER 50 far 0 59 0 - 8.8-11.1 HB VAL 118 - H SER 60 far 0 68 0 - 9.4-17.7 HB VAL 20 - H SER 60 far 0 60 0 - 9.8-34.9 Violated in 0 structures by 0.00 A. Peak 10979 from nnoeabs.peaks (1.96, 8.66, 113.17 ppm; 4.28 A): 3 out of 7 assignments used, quality = 0.96: HB2 PRO 58 + H SER 60 OK 90 90 100 99 2.1-3.9 2.3/9338=62, 1.8/9330=56...(15) HB3 LEU 53 + H SER 50 OK 44 52 90 96 4.5-5.9 ~1644=31, 3.1/6621=22...(25) HG LEU 53 + H SER 50 OK 36 52 70 99 4.1-6.8 11816/3.9=36...(28) HB2 GLU 30 - H SER 60 far 0 98 0 - 6.7-25.6 HB2 GLN 27 - H SER 60 far 0 100 0 - 7.1-21.4 HB2 GLN 27 - H SER 50 far 0 94 0 - 7.4-25.7 HB2 GLU 55 - H SER 50 far 0 59 0 - 8.7-11.8 Violated in 0 structures by 0.00 A. Peak 10981 from nnoeabs.peaks (1.97, 7.42, 122.18 ppm; 4.97 A): 1 out of 6 assignments used, quality = 0.70: HB2 PRO 58 + H GLN 61 OK 70 73 100 95 2.9-4.7 1.8/6758=43, 9332/4.6=31...(14) HB2 GLU 30 - H GLN 61 far 4 89 5 - 4.4-25.1 HB2 GLN 27 - H GLN 61 far 0 99 0 - 7.7-21.5 HB VAL 20 - H GLN 61 far 0 60 0 - 8.7-32.3 HB3 LEU 53 - H GLN 61 far 0 81 0 - 9.3-14.4 HB3 PRO 56 - H GLN 61 far 0 63 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 10982 from nnoeabs.peaks (0.91, 7.42, 122.18 ppm; 5.61 A): 2 out of 12 assignments used, quality = 1.00: QD1 LEU 62 + H GLN 61 OK 98 99 100 99 4.6-6.3 2.1/10983=66...(15) QG2 VAL 63 + H GLN 61 OK 97 100 100 97 5.1-6.3 3.7/6762=54, 6796/3.9=38...(16) QG2 VAL 112 - H GLN 61 far 13 89 15 - 5.8-16.4 QD2 LEU 48 - H GLN 61 far 5 100 5 - 6.1-13.3 QD1 LEU 22 - H GLN 61 far 5 96 5 - 5.1-26.5 QG2 VAL 20 - H GLN 61 far 5 92 5 - 6.8-25.5 QD2 LEU 123 - H GLN 61 far 0 78 0 - 7.5-12.2 QD1 LEU 48 - H GLN 61 far 0 89 0 - 7.8-14.3 QD1 LEU 123 - H GLN 61 far 0 81 0 - 7.9-14.4 QG1 VAL 118 - H GLN 61 far 0 99 0 - 8.6-14.7 QG1 VAL 20 - H GLN 61 far 0 100 0 - 8.6-27.8 QD1 LEU 49 - H GLN 61 far 0 99 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 10983 from nnoeabs.peaks (1.65, 7.42, 122.18 ppm; 6.26 A): 1 out of 11 assignments used, quality = 1.00: HG LEU 62 + H GLN 61 OK 100 100 100 100 6.1-7.1 6794/3.9=95...(11) HD2 LYS 19 - H GLN 61 far 5 100 5 - 6.3-34.9 HD3 LYS 26 - H GLN 61 far 5 100 5 - 5.7-26.1 HD3 LYS 19 - H GLN 61 far 5 100 5 - 7.5-34.4 HD2 LYS 26 - H GLN 61 far 5 99 5 - 6.2-26.8 HD2 LYS 24 - H GLN 61 far 0 99 0 - 7.9-28.9 HG3 ARG 23 - H GLN 61 far 0 65 0 - 8.5-28.8 HD3 LYS 31 - H GLN 61 far 0 99 0 - 8.8-25.1 HD2 LYS 31 - H GLN 61 far 0 99 0 - 9.4-25.7 HD3 LYS 24 - H GLN 61 far 0 99 0 - 9.5-28.1 HB2 LEU 123 - H GLN 61 far 0 100 0 - 9.6-14.7 Violated in 18 structures by 0.43 A. Peak 10984 from nnoeabs.peaks (3.93, 7.42, 122.18 ppm; 6.69 A): 2 out of 8 assignments used, quality = 0.97: HB2 SER 60 + H GLN 61 OK 83 83 100 100 2.2-4.0 4.6=100 HB3 SER 60 + H GLN 61 OK 83 83 100 100 2.3-4.0 4.6=100 HD3 PRO 113 - H GLN 61 far 5 98 5 - 7.0-16.6 HA2 GLY 14 - H GLN 61 far 5 97 5 - 7.9-36.6 HA2 GLY 111 - H GLN 61 lone 1 100 40 3 4.6-19.0 HA3 GLY 111 - H GLN 61 lone 1 89 45 3 6.0-18.0 HA3 GLY 14 - H GLN 61 far 0 98 0 - 8.5-35.5 HB2 SER 107 - H GLN 61 far 0 99 0 - 9.0-16.3 Violated in 0 structures by 0.00 A. Peak 10993 from nnoeabs.peaks (0.80, 7.43, 120.60 ppm; 4.54 A): 2 out of 10 assignments used, quality = 0.92: QG1 VAL 63 + H LEU 62 OK 77 85 95 95 5.4-6.1 4.0/6797=59, 2.1/6796=40...(15) QD2 LEU 119 + H LEU 62 OK 67 100 75 89 3.5-13.0 10994/2.9=40...(11) QD1 LEU 53 - H LEU 62 poor 20 99 20 - 5.5-11.1 QD1 LEU 122 - H LEU 62 far 15 100 15 - 5.4-9.9 QD2 LEU 122 - H LEU 62 far 5 92 5 - 5.6-9.9 QD1 ILE 32 - H LEU 62 far 4 71 5 - 5.3-15.8 QD1 LEU 103 - H LEU 62 far 0 83 0 - 6.2-9.0 QD2 LEU 49 - H LEU 62 far 0 100 0 - 7.0-9.4 QD1 ILE 37 - H LEU 62 far 0 76 0 - 8.4-18.0 QD1 LEU 70 - H LEU 62 far 0 89 0 - 9.4-12.6 Violated in 9 structures by 0.34 A. Peak 11022 from nnoeabs.peaks (3.95, 7.96, 120.19 ppm; 3.46 A): 0 out of 9 assignments used, quality = 0.00: HA2 GLY 111 - H ASP 64 far 4 85 5 - 4.9-19.2 HA THR 65 - H ASP 64 far 0 83 0 - 5.3-5.5 HB3 SER 107 - H ASP 64 far 0 97 0 - 5.3-12.0 HB2 SER 107 - H ASP 64 far 0 63 0 - 6.4-12.8 HA3 GLY 111 - H ASP 64 far 0 100 0 - 6.6-17.8 HB2 SER 106 - H ASP 64 far 0 90 0 - 6.7-15.8 HB3 SER 106 - H ASP 64 far 0 63 0 - 7.9-15.7 HA LEU 100 - H ASP 64 far 0 97 0 - 8.3-9.8 HD3 PRO 113 - H ASP 64 far 0 95 0 - 10.0-17.5 Violated in 20 structures by 1.65 A. Peak 11032 from nnoeabs.peaks (0.61, 8.90, 110.50 ppm; 5.61 A): 1 out of 3 assignments used, quality = 0.97: QD1 LEU 100 + H GLY 66 OK 97 97 100 100 3.7-5.5 10045=95, 11037/6864=77...(16) QD1 ILE 129 - H GLY 66 far 0 60 0 - 8.4-10.6 QD1 LEU 42 - H GLY 66 far 0 78 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 11037 from nnoeabs.peaks (0.61, 8.65, 120.06 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 100 + H HIS 67 OK 99 99 100 100 2.5-3.8 10037/2.9=69, 10042=67...(21) QD1 LEU 42 - H HIS 67 far 0 73 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 11043 from nnoeabs.peaks (8.11, 6.86, 112.26 ppm; 6.80 A): 3 out of 8 assignments used, quality = 0.92: H ASP 71 + HE21 GLN 68 OK 74 76 100 97 4.9-8.0 6956/5.2=55, ~11027=46...(13) H ASN 121 + HD21 ASN 121 OK 50 50 100 100 3.4-5.8 5.6=100 H ILE 32 + HE21 GLN 68 OK 39 68 70 82 3.6-14.7 11044/1.7=73...(3) H THR 25 - HE21 GLN 68 far 10 97 10 - 7.3-23.2 H ILE 32 - HE21 GLN 27 far 6 41 15 - 6.1-14.0 H THR 25 - HE21 GLN 27 lone 2 64 35 7 3.4-12.8 6243/6.8=4 H ASP 71 - HE21 GLN 27 far 0 46 0 - 9.6-22.1 H ASP 71 - HD21 ASN 121 far 0 33 0 - 9.7-18.9 Violated in 0 structures by 0.00 A. Peak 11044 from nnoeabs.peaks (8.13, 7.76, 112.26 ppm; 6.80 A): 0 out of 4 assignments used, quality = 0.00: H ILE 32 - HE22 GLN 68 poor 16 96 60 28 2.3-15.1 11043/1.7=17, 2127/5.2=11 H ASP 71 - HE22 GLN 68 far 15 98 15 - 6.4-9.2 H THR 25 - HE22 GLN 68 far 7 71 10 - 6.4-24.5 H LEU 22 - HE22 GLN 68 far 4 83 5 - 4.2-26.7 Violated in 6 structures by 0.46 A. Peak 11056 from nnoeabs.peaks (0.78, 8.30, 120.25 ppm; 4.34 A): 2 out of 11 assignments used, quality = 0.94: QD2 LEU 49 + H LEU 69 OK 85 89 100 96 3.0-5.4 11061/4.9=36, 1572=35...(24) QD1 ILE 32 + H LEU 69 OK 58 100 65 89 4.2-8.2 10827/2.9=58...(18) QD2 LEU 122 - H LEU 69 far 15 99 15 - 5.7-8.3 QD1 ILE 37 - H LEU 69 poor 13 100 25 50 4.3-9.3 9024/9504=14...(10) QD1 LEU 96 - H LEU 69 far 10 99 10 - 5.7-7.0 QD1 LEU 122 - H LEU 69 far 10 65 15 - 5.0-9.6 QD1 LEU 53 - H LEU 69 far 9 93 10 - 5.4-12.1 QG1 VAL 63 - H LEU 69 far 0 100 0 - 6.5-7.6 QD1 LEU 103 - H LEU 69 far 0 100 0 - 8.9-12.9 QD2 LEU 119 - H LEU 69 far 0 81 0 - 9.4-16.2 QD2 LEU 43 - H LEU 69 far 0 71 0 - 9.4-10.7 Violated in 5 structures by 0.10 A. Peak 11068 from nnoeabs.peaks (1.23, 8.30, 120.25 ppm; 6.02 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 65 + H LEU 69 OK 100 100 100 100 3.8-5.3 9443/3.7=97...(23) Violated in 0 structures by 0.00 A. Peak 11094 from nnoeabs.peaks (0.61, 8.46, 121.15 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 100 + H LEU 70 OK 98 99 100 99 3.8-5.4 11493/6941=55...(17) QD1 LEU 42 - H LEU 70 poor 14 71 20 - 5.2-9.1 Violated in 15 structures by 0.37 A. Peak 11095 from nnoeabs.peaks (0.71, 8.46, 121.15 ppm; 4.32 A): 0 out of 1 assignment used, quality = 0.00: QD2 LEU 100 - H LEU 70 poor 18 60 30 - 5.0-6.7 Violated in 20 structures by 1.64 A. Peak 11100 from nnoeabs.peaks (8.65, 8.46, 121.15 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.98: H HIS 67 + H LEU 70 OK 98 98 100 100 4.4-4.9 2.9/6936=74...(24) H SER 50 - H LEU 70 far 0 96 0 - 9.2-12.3 Violated in 7 structures by 0.02 A. Peak 11121 from nnoeabs.peaks (0.84, 8.85, 116.83 ppm; 4.86 A): 4 out of 7 assignments used, quality = 0.99: QD2 LEU 70 + H CYS 73 OK 81 97 85 99 3.9-6.5 2269/6989=65...(17) QG2 ILE 129 + H CYS 73 OK 70 73 100 96 4.3-5.6 11405/9566=37...(21) QD2 LEU 69 + H CYS 73 OK 69 73 95 100 2.7-6.7 2.1/11084=71, ~9522=41...(31) QD1 LEU 70 + H CYS 73 OK 33 65 55 90 4.3-6.7 3.8/6989=60, 9490/3.8=21...(11) QG1 VAL 133 - H CYS 73 far 15 98 15 - 6.1-7.5 QG2 ILE 32 - H CYS 73 poor 5 98 25 22 5.8-12.0 11135/3.6=17...(3) HG13 ILE 80 - H CYS 73 far 0 78 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 11123 from nnoeabs.peaks (0.84, 8.41, 115.94 ppm; 4.64 A): 3 out of 8 assignments used, quality = 0.94: QD2 LEU 70 + H SER 74 OK 73 92 85 93 3.0-6.3 9842/2.9=49...(11) QG2 ILE 129 + H SER 74 OK 64 83 95 81 4.7-6.1 11405/9576=40...(15) QD1 LEU 70 + H SER 74 OK 39 76 65 79 3.0-6.4 ~9842=37, 3.8/7003=32...(10) QD2 LEU 69 - H SER 74 poor 19 63 30 - 4.4-8.6 QG2 ILE 32 - H SER 74 far 5 95 5 - 5.8-13.8 QG2 ILE 80 - H SER 74 far 0 63 0 - 6.7-11.0 QG1 VAL 133 - H SER 74 far 0 100 0 - 7.5-8.7 HG13 ILE 80 - H SER 74 far 0 87 0 - 9.5-12.6 Violated in 4 structures by 0.04 A. Peak 11135 from nnoeabs.peaks (0.93, 8.04, 121.95 ppm; 6.80 A): 2 out of 10 assignments used, quality = 0.84: QG2 ILE 37 + H TYR 76 OK 80 100 80 100 3.5-9.4 11155/3.0=98...(15) QG1 VAL 20 + H ALA 16 OK 21 28 85 91 3.9-8.9 ~10683=87, 11966/3.0=12...(5) QG2 VAL 112 - H ALA 16 far 7 45 15 - 2.5-42.8 QG1 VAL 57 - H ALA 16 far 6 38 15 - 4.7-31.6 QG2 ILE 37 - H ALA 16 far 5 47 10 - 5.6-26.5 QD1 LEU 119 - H ALA 16 far 2 45 5 - 7.4-35.5 QD1 LEU 48 - H ALA 16 far 2 45 5 - 7.9-26.6 QG1 VAL 105 - H ALA 16 far 1 25 5 - 7.9-38.0 QG1 VAL 126 - H TYR 76 far 0 73 0 - 8.5-11.5 QD2 LEU 48 - H ALA 16 far 0 29 0 - 8.6-25.9 Violated in 2 structures by 0.01 A. Peak 11139 from nnoeabs.peaks (7.32, 8.04, 121.95 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.90: HZ PHE 89 + H TYR 76 OK 90 90 100 100 3.3-5.6 2.2/11140=73...(9) HE ARG 90 - H TYR 76 far 0 60 0 - 8.1-11.7 Violated in 3 structures by 0.07 A. Peak 11140 from nnoeabs.peaks (7.43, 8.04, 121.95 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.71: QE PHE 89 + H TYR 76 OK 71 71 100 100 3.7-5.2 2.2/11139=76...(13) H GLN 61 - H ALA 16 far 0 47 0 - 9.8-36.5 Violated in 1 structures by 0.02 A. Peak 11146 from nnoeabs.peaks (6.85, 7.54, 116.56 ppm; 5.63 A): 0 out of 0 assignments used, quality = 0.00: Peak 11147 from nnoeabs.peaks (7.80, 7.54, 116.56 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.92: H GLY 75 + H VAL 77 OK 92 96 100 96 3.2-4.2 9583=55, 9593/2394=40...(12) H ALA 92 - H VAL 77 far 0 87 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 11162 from nnoeabs.peaks (4.32, 8.04, 116.97 ppm; 4.86 A): 2 out of 5 assignments used, quality = 0.99: HA TYR 76 + H CYS 79 OK 99 99 100 99 3.2-3.7 2361=49, 3.6/7035=39...(18) HA2 GLY 75 + H CYS 79 OK 28 100 30 92 5.9-7.3 9603/9697=37...(11) HA PRO 81 - H CYS 79 far 0 85 0 - 7.4-7.7 HA SER 74 - H CYS 79 far 0 65 0 - 7.7-8.6 HA THR 18 - H CYS 79 far 0 68 0 - 9.2-39.4 Violated in 0 structures by 0.00 A. Peak 11196 from nnoeabs.peaks (8.87, 9.00, 120.08 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.97: H THR 83 + H ARG 84 OK 97 98 100 99 2.6-3.1 4.7=76, 9772/7088=62...(8) Violated in 0 structures by 0.00 A. Peak 11197 from nnoeabs.peaks (8.13, 9.00, 120.08 ppm; 5.86 A): 1 out of 1 assignment used, quality = 0.88: H PHE 87 + H ARG 84 OK 88 89 100 100 4.8-5.3 2530/2.8=85, 7150/3.6=67...(10) Violated in 0 structures by 0.00 A. Peak 11198 from nnoeabs.peaks (2.08, 9.00, 120.08 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.89: HB3 GLN 82 + H ARG 84 OK 89 89 100 100 2.4-4.8 1.8/9778=92, 3.0/9779=63...(10) HG3 PRO 81 - H ARG 84 far 7 72 10 - 6.2-9.1 Violated in 0 structures by 0.00 A. Peak 11199 from nnoeabs.peaks (8.88, 8.88, 122.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 83 + H THR 83 OK 100 100 - 100 Peak 11201 from nnoeabs.peaks (8.55, 8.88, 122.71 ppm; 4.76 A): 0 out of 2 assignments used, quality = 0.00: H HIS 4 - H THR 83 far 0 68 0 - 7.7-74.5 H HIS 5 - H THR 83 far 0 85 0 - 7.9-72.5 Violated in 20 structures by 33.43 A. Peak 11202 from nnoeabs.peaks (8.99, 8.88, 122.71 ppm; 6.09 A): 1 out of 1 assignment used, quality = 0.98: H ARG 84 + H THR 83 OK 98 98 100 100 2.6-3.1 4.7=100 Reference assignment not found: H ARG 84 - H ARG 84 Violated in 0 structures by 0.00 A. Peak 11203 from nnoeabs.peaks (4.60, 8.88, 122.71 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 82 + H THR 83 OK 100 100 100 100 2.2-2.6 3.6=100 HA HIS 3 - H THR 83 far 0 95 0 - 7.9-76.6 Violated in 0 structures by 0.00 A. Peak 11204 from nnoeabs.peaks (4.17, 8.88, 122.71 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: HB THR 83 + H THR 83 OK 100 100 100 100 2.5-3.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 11205 from nnoeabs.peaks (3.75, 8.88, 122.71 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: HA THR 83 + H THR 83 OK 100 100 100 100 2.7-2.8 2.8=100 HA VAL 133 - H THR 83 far 4 89 5 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 11221 from nnoeabs.peaks (2.44, 8.88, 122.71 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 82 + H THR 83 OK 98 100 100 98 3.4-5.4 1.8/11223=52...(8) HG3 GLN 82 + H THR 83 OK 93 95 100 98 2.8-4.8 11243/3.6=49...(8) Violated in 0 structures by 0.00 A. Peak 11222 from nnoeabs.peaks (1.24, 8.88, 122.71 ppm; 5.83 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 83 + H THR 83 OK 100 100 100 100 3.7-3.8 3.9=100 HG12 ILE 80 - H THR 83 poor 16 65 25 - 6.2-9.0 Violated in 0 structures by 0.00 A. Peak 11246 from nnoeabs.peaks (2.24, 7.64, 112.44 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.23: HB2 PRO 81 + HE22 GLN 82 OK 23 95 25 99 5.3-8.3 1.8/11248=79...(12) Violated in 20 structures by 1.95 A. Peak 11247 from nnoeabs.peaks (2.05, 7.64, 112.44 ppm; 4.66 A): 1 out of 4 assignments used, quality = 0.24: HG3 PRO 81 + HE22 GLN 82 OK 24 100 25 98 4.8-8.7 2.3/11246=69...(13) HG3 ARG 135 - HE22 GLN 82 poor 17 83 20 - 4.8-13.5 HG3 GLN 134 - HE22 GLN 82 far 0 60 0 - 7.9-17.9 HB3 LYS 39 - HE22 GLN 82 far 0 68 0 - 9.1-18.1 Violated in 20 structures by 2.27 A. Peak 11248 from nnoeabs.peaks (1.95, 7.64, 112.44 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.77: HB3 PRO 81 + HE22 GLN 82 OK 77 97 80 99 3.8-8.1 1.8/11246=80...(16) HB3 LYS 86 - HE22 GLN 82 far 0 100 0 - 7.4-11.5 Violated in 15 structures by 0.82 A. Peak 11249 from nnoeabs.peaks (2.23, 6.94, 112.44 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.68: HB2 GLN 82 + HE21 GLN 82 OK 68 68 100 100 3.3-5.3 4.5=100 HB2 PRO 81 - HE21 GLN 82 far 10 65 15 - 5.7-9.5 Violated in 2 structures by 0.01 A. Peak 11250 from nnoeabs.peaks (2.04, 6.94, 112.44 ppm; 5.04 A): 0 out of 3 assignments used, quality = 0.00: HG3 PRO 81 - HE21 GLN 82 far 15 99 15 - 5.8-10.0 HG3 ARG 135 - HE21 GLN 82 lone 1 95 25 3 5.0-14.3 ~11407=2 HB2 GLN 134 - HE21 GLN 82 far 0 71 0 - 7.8-18.9 Violated in 19 structures by 1.96 A. Peak 11251 from nnoeabs.peaks (1.97, 6.94, 112.44 ppm; 5.20 A): 2 out of 3 assignments used, quality = 0.55: HB3 PRO 81 + HE21 GLN 82 OK 39 65 60 99 4.2-9.4 ~11246=69, 11248/1.7=68...(15) HG2 PRO 81 + HE21 GLN 82 OK 26 65 40 99 5.2-9.6 ~11247=71, ~11246=63...(12) HB3 LYS 86 - HE21 GLN 82 far 0 89 0 - 8.5-11.7 Violated in 16 structures by 0.95 A. Peak 11253 from nnoeabs.peaks (7.56, 7.56, 115.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 82 + H GLN 82 OK 100 100 - 100 Peak 11254 from nnoeabs.peaks (7.24, 7.56, 115.93 ppm; 6.75 A): 2 out of 3 assignments used, quality = 0.98: HD21 ASN 85 + H GLN 82 OK 97 99 100 98 1.9-3.7 9797/4.0=71, 9798/4.0=65...(7) H ASN 85 + H GLN 82 OK 46 60 100 77 3.9-5.2 11276/4.0=39...(5) HE ARG 84 - H GLN 82 lone 1 95 30 5 5.5-10.5 11235/4.0=2 Violated in 0 structures by 0.00 A. Peak 11255 from nnoeabs.peaks (4.61, 7.56, 115.93 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.99: * HA GLN 82 + H GLN 82 OK 99 99 100 100 2.6-2.9 3.0=100 HA HIS 3 - H GLN 82 far 0 99 0 - 9.9-74.9 Violated in 0 structures by 0.00 A. Peak 11256 from nnoeabs.peaks (4.35, 7.56, 115.93 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.97: HA PRO 81 + H GLN 82 OK 97 97 100 100 2.8-3.6 3.6=100 HA GLN 134 - H GLN 82 far 10 99 10 - 6.4-12.5 Violated in 0 structures by 0.00 A. Peak 11257 from nnoeabs.peaks (2.44, 7.56, 115.93 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 82 + H GLN 82 OK 96 100 100 96 2.0-4.6 5.1=51, 11287/3.0=38...(14) HG3 GLN 82 + H GLN 82 OK 95 99 100 96 1.9-4.1 5.1=51, 11287/3.0=38...(13) Violated in 0 structures by 0.00 A. Peak 11258 from nnoeabs.peaks (2.25, 7.56, 115.93 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 81 + H GLN 82 OK 100 100 100 100 1.9-4.0 4.1=100 HB VAL 132 - H GLN 82 poor 14 71 20 - 5.4-10.8 Violated in 0 structures by 0.00 A. Peak 11259 from nnoeabs.peaks (2.06, 7.56, 115.93 ppm; 4.28 A): 2 out of 5 assignments used, quality = 0.97: * HG3 PRO 81 + H GLN 82 OK 93 97 100 96 1.9-4.4 1.8/11914=70...(10) HB3 GLN 82 + H GLN 82 OK 60 60 100 100 2.1-3.9 4.0=100 HG3 ARG 135 - H GLN 82 far 3 57 5 - 5.6-11.2 HB3 LYS 39 - H GLN 82 far 0 90 0 - 5.9-13.6 HG3 GLN 134 - H GLN 82 far 0 85 0 - 8.2-15.1 Violated in 0 structures by 0.00 A. Peak 11260 from nnoeabs.peaks (1.95, 7.56, 115.93 ppm; 5.40 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 81 + H GLN 82 OK 100 100 100 100 1.6-3.4 4.1=100 HB3 LYS 86 + H GLN 82 OK 26 98 30 89 4.7-8.8 2695/11790=55, ~11305=38...(6) HB2 MET 11 - H GLN 82 far 0 76 0 - 10.0-52.7 Violated in 0 structures by 0.00 A. Peak 11261 from nnoeabs.peaks (0.82, 7.56, 115.93 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.87: QG2 ILE 80 + H GLN 82 OK 66 96 70 99 1.8-6.8 11310/4.0=50, 9742=50...(17) HG13 ILE 80 + H GLN 82 OK 60 100 75 80 3.8-7.0 3.2/9742=33, 2.1/9750=24...(11) QG1 VAL 133 - H GLN 82 far 10 97 10 - 5.3-10.0 QG2 ILE 129 - H GLN 82 far 0 100 0 - 8.0-11.3 Violated in 6 structures by 0.38 A. Peak 11276 from nnoeabs.peaks (2.09, 7.27, 117.40 ppm; 5.31 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLN 82 + H ASN 85 OK 100 100 100 100 2.4-5.2 11234=93, 1.8/11277=81...(11) HG3 GLN 134 - H ASN 85 far 0 99 0 - 9.0-13.6 HG3 GLU 91 - H ASN 85 far 0 81 0 - 9.7-11.4 HB3 LYS 39 - H ASN 85 far 0 98 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 11277 from nnoeabs.peaks (2.20, 7.27, 117.40 ppm; 5.33 A): 1 out of 2 assignments used, quality = 1.00: HB2 GLN 82 + H ASN 85 OK 100 100 100 100 2.6-4.5 1.8/11234=90...(16) HB VAL 133 - H ASN 85 far 0 93 0 - 7.4-10.1 Violated in 0 structures by 0.00 A. Peak 11279 from nnoeabs.peaks (1.90, 7.25, 114.49 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.86: HB2 ARG 135 + HD21 ASN 85 OK 78 100 85 92 2.9-8.9 2.9/9800=57, 1.8/9799=32...(11) HB3 ARG 84 + HD21 ASN 85 OK 35 100 40 88 3.4-8.5 11320/4.5=26...(18) HB2 ARG 90 - HD21 ASN 85 far 0 98 0 - 8.5-12.4 Violated in 6 structures by 0.07 A. Peak 11299 from nnoeabs.peaks (7.36, 8.56, 117.97 ppm; 5.62 A): 1 out of 1 assignment used, quality = 0.99: HE ARG 90 + H ARG 90 OK 99 99 100 100 3.3-5.7 11840/2823=82...(23) Violated in 2 structures by 0.00 A. Peak 11310 from nnoeabs.peaks (3.26, 8.13, 119.27 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.94: HA VAL 93 + H GLU 91 OK 86 97 90 99 6.6-7.0 2.9/7263=82...(9) HB3 PHE 87 + H GLU 91 OK 56 63 100 89 5.9-6.6 3.0/7226=68, 2.5/9919=35...(7) Violated in 20 structures by 0.45 A. Peak 11314 from nnoeabs.peaks (8.67, 7.82, 123.43 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.97: H PHE 89 + H ALA 92 OK 97 97 100 100 4.7-5.0 2.9/7247=93, 3.6/7246=76...(15) Violated in 0 structures by 0.00 A. Peak 11342 from nnoeabs.peaks (1.84, 7.71, 121.43 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.97: HB VAL 93 + H LYS 95 OK 97 97 100 100 4.8-5.7 7281/3.4=76...(29) HB2 LEU 100 - H LYS 95 far 0 90 0 - 8.1-8.9 HB3 LYS 24 - H LYS 95 far 0 73 0 - 8.7-31.1 Violated in 18 structures by 0.19 A. Peak 11355 from nnoeabs.peaks (0.85, 8.27, 124.81 ppm; 4.43 A): 2 out of 6 assignments used, quality = 0.98: QD2 LEU 70 + H LEU 96 OK 90 100 90 100 4.3-7.0 11083=56, 9485/11425=48...(34) QD2 LEU 98 + H LEU 96 OK 77 81 100 95 2.6-5.8 11470/3.6=41...(28) QD1 LEU 98 - H LEU 96 far 15 99 15 - 4.6-6.7 QD2 LEU 69 - H LEU 96 far 0 93 0 - 6.8-10.0 QD2 LEU 123 - H LEU 96 far 0 60 0 - 8.1-10.1 QG1 VAL 133 - H LEU 96 far 0 85 0 - 9.7-10.6 Violated in 13 structures by 0.17 A. Peak 11356 from nnoeabs.peaks (7.84, 8.50, 119.00 ppm; 5.07 A): 0 out of 2 assignments used, quality = 0.00: H GLU 102 - H GLU 97 poor 20 99 20 - 6.4-7.6 H ALA 92 - H GLU 97 far 0 71 0 - 7.9-9.1 Violated in 20 structures by 1.46 A. Peak 11367 from nnoeabs.peaks (0.84, 8.50, 119.00 ppm; 3.88 A): 2 out of 5 assignments used, quality = 0.97: QD2 LEU 70 + H GLU 97 OK 91 97 95 100 2.6-5.8 11090/2.8=65...(26) QD1 LEU 70 + H GLU 97 OK 61 65 95 98 2.7-6.0 10000/2.8=61, ~11090=39...(22) QD1 LEU 98 - H GLU 97 far 13 89 15 - 4.4-5.9 QD2 LEU 69 - H GLU 97 far 0 73 0 - 6.7-10.3 QG2 ILE 129 - H GLU 97 far 0 73 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 11382 from nnoeabs.peaks (0.80, 8.29, 116.35 ppm; 4.47 A): 4 out of 14 assignments used, quality = 0.92: QD2 LEU 122 + H SER 99 OK 70 97 75 97 4.7-7.0 11476/3.7=37...(31) QD1 LEU 70 + H SER 99 OK 45 81 70 81 4.7-7.6 10026/3.4=21, ~2268=15...(21) QD1 LEU 122 + H SER 99 OK 33 98 35 96 4.7-7.8 11702/3.7=36...(26) QD1 LEU 96 + H SER 99 OK 28 68 45 92 4.6-7.2 4.0/7372=18, ~3090=15...(28) QD1 ILE 37 - H GLU 40 far 7 70 10 - 5.6-9.2 QD2 LEU 119 - H SER 99 far 0 100 0 - 6.9-11.2 QD1 ILE 32 - H GLU 40 far 0 66 0 - 7.0-16.3 QD1 LEU 103 - H SER 99 far 0 90 0 - 7.1-8.7 QD1 LEU 53 - H SER 99 far 0 100 0 - 7.6-13.3 HG13 ILE 80 - H GLU 40 far 0 54 0 - 8.1-14.5 QG1 VAL 63 - H SER 99 far 0 92 0 - 8.3-10.3 QG2 ILE 80 - H GLU 40 far 0 75 0 - 8.3-12.6 QG2 ILE 129 - H GLU 40 far 0 59 0 - 8.5-10.6 QD2 LEU 49 - H SER 99 far 0 100 0 - 9.0-11.7 Violated in 7 structures by 0.14 A. Peak 11383 from nnoeabs.peaks (1.38, 8.29, 116.35 ppm; 5.46 A): 6 out of 18 assignments used, quality = 1.00: HB3 LEU 100 + H SER 99 OK 100 100 100 100 4.9-6.0 7398/3.4=89, 4.6/7407=60...(33) HB2 LEU 96 + H SER 99 OK 99 100 100 99 6.0-6.7 4.4/7350=37, 3073/3.4=34...(38) HG LEU 96 + H SER 99 OK 94 95 100 99 6.0-6.5 3090/3.4=29...(31) HB2 LEU 42 + H GLU 40 OK 83 87 100 95 4.6-6.5 1147/3.6=70, 1305=38...(8) HG3 LYS 95 + H SER 99 OK 69 100 85 82 5.4-7.8 3.9/2960=29, 4.6/7386=19...(16) HG2 LYS 95 + H SER 99 OK 38 100 50 76 6.0-7.5 3.9/2960=29, 4.6/7386=19...(14) QB ALA 110 - H SER 99 far 5 100 5 - 4.8-19.5 HG2 LYS 24 - H SER 99 far 5 100 5 - 6.9-33.4 HG2 LYS 24 - H GLU 40 far 4 88 5 - 5.8-30.2 QB ALA 108 - H SER 99 lone 1 100 30 4 4.0-15.3 10264/11534=2 QB ALA 109 - H SER 99 far 0 100 0 - 7.4-16.4 QB ALA 16 - H GLU 40 far 0 68 0 - 7.6-30.5 HG2 LYS 36 - H GLU 40 far 0 88 0 - 7.6-13.7 QB ALA 29 - H SER 99 far 0 100 0 - 8.2-16.9 QB ALA 15 - H GLU 40 far 0 89 0 - 8.3-33.4 QB ALA 29 - H GLU 40 far 0 88 0 - 9.5-17.6 QB ALA 28 - H SER 99 far 0 100 0 - 9.5-19.9 QB ALA 12 - H GLU 40 far 0 57 0 - 10.0-34.1 Violated in 0 structures by 0.00 A. Peak 11397 from nnoeabs.peaks (0.89, 7.68, 119.11 ppm; 4.52 A): 4 out of 10 assignments used, quality = 1.00: QD2 LEU 98 + H GLN 101 OK 96 98 100 98 4.0-4.9 4.0/3155=52...(20) QG1 VAL 118 + H GLN 101 OK 84 93 95 95 4.2-6.0 10262/4.6=49...(15) QD2 LEU 70 + H GLN 101 OK 57 60 100 95 2.2-5.9 11400/2.9=36...(25) QD1 LEU 98 + H GLN 101 OK 22 76 30 95 5.3-6.9 4.0/3155=52...(17) QG2 VAL 63 - H GLN 101 far 0 71 0 - 6.1-7.8 QD1 LEU 62 - H GLN 101 far 0 63 0 - 6.8-10.2 QD2 LEU 69 - H GLN 101 far 0 90 0 - 7.5-11.0 QD2 LEU 123 - H GLN 101 far 0 100 0 - 7.9-10.5 QD1 LEU 49 - H GLN 101 far 0 65 0 - 8.9-11.9 QG2 VAL 20 - H GLN 101 far 0 99 0 - 9.2-29.3 Violated in 0 structures by 0.00 A. Peak 11398 from nnoeabs.peaks (0.78, 7.68, 119.11 ppm; 4.45 A): 2 out of 9 assignments used, quality = 0.91: QD2 LEU 122 + H GLN 101 OK 85 100 90 94 4.5-7.0 10337/4.6=26...(26) QD1 LEU 96 + H GLN 101 OK 42 97 45 96 3.2-6.8 11504/3314=52...(26) QD1 LEU 122 - H GLN 101 poor 18 73 30 81 4.4-7.2 11489/3.6=17...(20) QG1 VAL 63 - H GLN 101 poor 17 100 20 87 5.4-7.7 10973/7415=46...(9) QD1 LEU 103 - H GLN 101 far 10 100 10 - 4.9-7.6 QD1 LEU 53 - H GLN 101 far 0 97 0 - 7.4-13.8 QD2 LEU 49 - H GLN 101 far 0 93 0 - 7.5-11.3 QD1 ILE 32 - H GLN 101 far 0 99 0 - 8.3-15.2 QD2 LEU 119 - H GLN 101 far 0 87 0 - 9.1-11.1 Violated in 11 structures by 0.33 A. Peak 11410 from nnoeabs.peaks (1.80, 7.85, 118.36 ppm; 4.47 A): 3 out of 7 assignments used, quality = 1.00: HB3 LEU 103 + H GLU 102 OK 100 100 100 100 4.0-4.7 1.8/10066=75...(29) HB2 LEU 100 + H GLU 102 OK 68 68 100 100 4.6-5.3 3.0/7445=53, 3.9/7403=39...(26) HB3 LEU 98 + H GLU 102 OK 42 97 45 97 5.5-6.6 11850=38, 3.1/10067=37...(18) HG LEU 100 - H GLU 102 poor 17 85 20 - 4.9-7.0 HB3 LYS 26 - H GLU 102 far 4 76 5 - 5.4-26.6 HB3 LEU 122 - H GLU 102 far 0 100 0 - 6.2-8.8 HB3 ARG 23 - H GLU 102 far 0 65 0 - 8.4-32.8 Violated in 0 structures by 0.00 A. Peak 11417 from nnoeabs.peaks (1.01, 8.08, 120.56 ppm; 4.60 A): 2 out of 3 assignments used, quality = 0.98: QG2 VAL 118 + H LEU 103 OK 95 100 95 100 2.7-8.1 11545/7469=62...(20) QG2 VAL 105 + H LEU 103 OK 69 99 70 100 3.1-7.1 10086/3.6=61...(16) QD1 LEU 69 - H LEU 103 far 0 100 0 - 8.9-13.7 Violated in 0 structures by 0.00 A. Peak 11418 from nnoeabs.peaks (0.70, 8.08, 120.56 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.72: QD2 LEU 100 + H LEU 103 OK 72 76 100 95 3.4-4.8 4.1/3228=62...(16) QD2 LEU 62 - H LEU 103 far 10 68 15 - 6.4-10.2 Violated in 0 structures by 0.00 A. Peak 11429 from nnoeabs.peaks (8.58, 6.96, 111.83 ppm; 5.65 A): 0 out of 1 assignment used, quality = 0.00: H GLY 114 - HE21 GLN 104 far 0 90 0 - 9.1-19.4 Violated in 20 structures by 8.23 A. Peak 11430 from nnoeabs.peaks (8.57, 7.43, 111.83 ppm; 5.62 A): 0 out of 0 assignments used, quality = 0.00: Peak 11444 from nnoeabs.peaks (0.91, 7.90, 117.67 ppm; 5.68 A): 3 out of 7 assignments used, quality = 1.00: QG2 VAL 63 + H GLN 104 OK 100 100 100 100 2.9-5.0 11521/7495=91...(22) QG1 VAL 118 + H GLN 104 OK 91 97 95 99 3.1-8.2 11705/7485=57...(13) QD1 LEU 62 + H GLN 104 OK 41 100 75 55 4.6-9.3 11722/7491=24...(8) QG2 VAL 112 - H GLN 104 far 9 95 10 - 6.9-16.7 QG2 VAL 20 - H GLN 104 far 0 85 0 - 8.7-30.3 QD2 LEU 123 - H GLN 104 far 0 68 0 - 9.0-12.3 QG1 VAL 20 - H GLN 104 far 0 100 0 - 9.7-32.8 Violated in 0 structures by 0.00 A. Peak 11450 from nnoeabs.peaks (8.09, 7.90, 116.86 ppm; 4.82 A): 2 out of 5 assignments used, quality = 0.99: H ALA 108 + H SER 106 OK 97 97 100 99 2.5-5.1 7554/7543=79...(16) H LEU 103 + H SER 106 OK 62 98 65 97 4.4-8.0 3.6/11781=46...(19) H ALA 109 - H SER 106 poor 14 99 35 42 5.7-9.0 ~11532=13, ~11465=12...(7) H VAL 20 - H SER 106 far 0 63 0 - 8.4-44.2 H THR 25 - H SER 106 far 0 96 0 - 9.6-33.5 Violated in 0 structures by 0.00 A. Peak 11469 from nnoeabs.peaks (0.78, 7.90, 116.86 ppm; 5.34 A): 2 out of 7 assignments used, quality = 0.93: QD1 LEU 103 + H SER 106 OK 78 100 80 98 4.7-7.8 11535/2.9=43...(23) QG1 VAL 63 + H SER 106 OK 66 100 70 95 3.8-7.9 11810=32, 11535/2.9=26...(21) QD2 LEU 122 - H SER 106 far 0 100 0 - 7.1-11.0 QD1 ILE 32 - H SER 106 far 0 99 0 - 7.9-18.8 QD1 LEU 122 - H SER 106 far 0 73 0 - 8.2-11.1 QD2 LEU 119 - H SER 106 far 0 87 0 - 8.4-12.6 QD1 LEU 96 - H SER 106 far 0 97 0 - 9.2-13.5 Violated in 1 structures by 0.01 A. Peak 11474 from nnoeabs.peaks (4.43, 8.08, 124.88 ppm; 5.71 A): 1 out of 6 assignments used, quality = 0.68: HA SER 106 + H ALA 108 OK 68 68 100 100 3.9-6.0 3.6/7554=96...(17) HA ASP 64 - H ALA 108 far 10 68 15 - 4.3-16.8 HA PRO 58 - H ALA 108 far 4 78 5 - 7.1-16.4 HA VAL 112 - H ALA 108 far 0 97 0 - 7.8-13.7 HA ASP 71 - H ALA 108 far 0 89 0 - 8.8-18.6 HA MET 11 - H ALA 108 far 0 97 0 - 8.9-56.5 Violated in 2 structures by 0.03 A. Peak 11476 from nnoeabs.peaks (0.98, 8.23, 117.55 ppm; 4.97 A): 2 out of 6 assignments used, quality = 0.96: QG2 VAL 105 + H SER 107 OK 87 87 100 100 2.6-4.5 11533/7546=79...(14) QG1 VAL 105 + H SER 107 OK 67 68 100 99 5.0-6.1 4.4/7543=70, 11448=46...(11) QG2 VAL 118 - H SER 107 poor 18 73 25 - 5.0-10.9 QG1 VAL 112 - H SER 107 far 0 87 0 - 8.5-14.2 QD2 LEU 53 - H SER 107 far 0 85 0 - 8.8-18.6 QG1 VAL 126 - H SER 107 far 0 60 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 11477 from nnoeabs.peaks (3.92, 8.30, 123.19 ppm; 4.76 A): 2 out of 6 assignments used, quality = 0.98: HA2 GLY 111 + H ALA 110 OK 95 97 100 99 4.3-6.1 4.8/7573=36...(24) HA3 GLY 111 + H ALA 110 OK 62 71 90 98 4.5-6.4 4.8/7573=36, ~7577=29...(23) HB2 SER 107 - H ALA 110 far 10 100 10 - 3.3-11.2 HB3 SER 60 - H ALA 110 lone 1 96 35 3 4.3-20.5 10977/11478=2 HB2 SER 60 - H ALA 110 lone 1 96 25 3 3.7-20.8 10977/11478=2 HD3 PRO 113 - H ALA 110 far 0 89 0 - 6.7-10.4 Violated in 3 structures by 0.07 A. Peak 11478 from nnoeabs.peaks (0.93, 8.30, 123.19 ppm; 5.94 A): 2 out of 7 assignments used, quality = 0.92: QG2 VAL 112 + H ALA 110 OK 89 100 90 99 3.6-8.3 11548/3.7=59...(14) QG2 VAL 63 + H ALA 110 OK 28 90 55 56 5.0-12.1 10118/4.7=36...(5) QD1 LEU 62 - H ALA 110 poor 19 95 20 - 6.0-12.3 QD1 LEU 119 - H ALA 110 far 14 92 15 - 5.4-12.7 QG1 VAL 118 - H ALA 110 far 7 65 10 - 6.6-13.5 QG1 VAL 20 - H ALA 110 far 4 85 5 - 7.2-42.0 QG1 VAL 57 - H ALA 110 far 4 78 5 - 6.6-18.2 Violated in 3 structures by 0.09 A. Peak 11482 from nnoeabs.peaks (6.59, 8.08, 124.88 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.21: HD21 ASN 59 + H ALA 108 OK 21 100 30 71 4.7-11.5 11424/11486=24...(8) Violated in 19 structures by 2.92 A. Peak 11483 from nnoeabs.peaks (1.14, 8.08, 124.88 ppm; 5.66 A): 0 out of 2 assignments used, quality = 0.00: HB3 LEU 62 - H ALA 108 far 10 99 10 - 6.8-14.0 QG2 THR 115 - H ALA 108 far 5 100 5 - 7.0-11.5 Violated in 20 structures by 3.04 A. Peak 11484 from nnoeabs.peaks (0.92, 8.08, 124.88 ppm; 5.25 A): 1 out of 9 assignments used, quality = 0.67: QG2 VAL 63 + H ALA 108 OK 67 99 70 97 3.3-9.3 2.1/11486=48, ~10964=32...(19) QG1 VAL 118 - H ALA 108 poor 17 85 20 - 5.4-10.7 QD1 LEU 62 - H ALA 108 far 10 100 10 - 5.2-10.8 QG1 VAL 20 - H ALA 108 far 5 97 5 - 5.9-38.5 QD1 LEU 119 - H ALA 108 far 4 76 5 - 4.7-13.3 QD1 LEU 22 - H ALA 108 far 4 73 5 - 5.3-35.3 QG2 VAL 20 - H ALA 108 far 3 65 5 - 5.1-36.0 QG2 VAL 112 - H ALA 108 far 0 100 0 - 7.0-12.9 QG1 VAL 57 - H ALA 108 far 0 57 0 - 9.9-16.9 Violated in 13 structures by 1.37 A. Peak 11485 from nnoeabs.peaks (0.97, 8.08, 124.88 ppm; 5.49 A): 2 out of 6 assignments used, quality = 0.76: QG2 VAL 105 + H ALA 108 OK 62 63 100 99 2.4-6.2 10113/7555=74...(17) QG1 VAL 105 + H ALA 108 OK 36 90 40 99 5.0-8.1 11448/7554=59...(13) QG1 VAL 112 - H ALA 108 far 0 99 0 - 8.8-12.5 QD2 LEU 53 - H ALA 108 far 0 98 0 - 9.3-18.5 QG1 VAL 57 - H ALA 108 far 0 65 0 - 9.9-16.9 QG1 VAL 126 - H ALA 108 far 0 85 0 - 9.9-14.3 Violated in 7 structures by 0.10 A. Peak 11486 from nnoeabs.peaks (0.79, 8.08, 124.88 ppm; 4.76 A): 2 out of 7 assignments used, quality = 0.85: QG1 VAL 63 + H ALA 108 OK 66 100 70 95 3.2-10.4 2.1/11484=65...(16) QD1 LEU 103 + H ALA 108 OK 55 99 60 91 3.6-8.2 11424/11482=49...(16) QD2 LEU 119 - H ALA 108 far 0 95 0 - 6.4-12.6 QD1 ILE 32 - H ALA 108 far 0 97 0 - 7.7-20.0 QD2 LEU 122 - H ALA 108 far 0 100 0 - 8.0-11.7 QD1 LEU 122 - H ALA 108 far 0 85 0 - 8.2-11.7 QD1 LEU 96 - H ALA 108 far 0 90 0 - 8.7-14.8 Violated in 7 structures by 0.30 A. Peak 11501 from nnoeabs.peaks (1.13, 7.93, 120.44 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + H VAL 112 OK 100 100 100 100 3.2-5.8 11553/3556=96...(10) HB3 LEU 62 - H VAL 112 far 0 97 0 - 6.8-14.3 Violated in 11 structures by 0.22 A. Peak 11513 from nnoeabs.peaks (8.45, 8.57, 108.97 ppm; 4.06 A): 1 out of 2 assignments used, quality = 0.93: H ASN 116 + H GLY 114 OK 93 100 95 98 3.1-5.7 7608/7602=74, 11514=60...(7) H ALA 12 - H GLY 114 far 0 100 0 - 9.8-49.7 Violated in 13 structures by 0.67 A. Peak 11514 from nnoeabs.peaks (8.56, 8.45, 123.09 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.99: H GLY 114 + H ASN 116 OK 99 99 100 100 3.1-5.7 11513=99, 7600/7608=89...(7) Violated in 11 structures by 0.24 A. Peak 11518 from nnoeabs.peaks (0.98, 8.57, 108.97 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.87: QG1 VAL 112 + H GLY 114 OK 87 93 95 99 4.5-5.8 11507/7591=56...(12) QD2 LEU 53 - H GLY 114 far 9 92 10 - 4.8-14.1 QG2 VAL 118 - H GLY 114 far 0 63 0 - 5.9-10.6 Violated in 20 structures by 0.65 A. Peak 11524 from nnoeabs.peaks (1.87, 8.45, 123.09 ppm; 6.09 A): 1 out of 1 assignment used, quality = 0.95: HB3 LEU 119 + H ASN 116 OK 95 100 95 100 4.3-8.2 3.0/11559=88...(10) Violated in 6 structures by 0.30 A. Peak 11562 from nnoeabs.peaks (4.36, 8.08, 117.66 ppm; 4.22 A): 1 out of 5 assignments used, quality = 0.98: HA PRO 117 + H ASN 120 OK 98 100 100 99 3.6-4.1 3.6/7644=49...(14) HA PRO 113 - H ASN 120 far 0 98 0 - 6.4-12.7 HA ASN 59 - H ASN 120 far 0 60 0 - 7.6-13.1 HA SER 107 - H ASN 120 far 0 71 0 - 9.2-17.7 HA CYS 125 - H ASN 120 far 0 99 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 11570 from nnoeabs.peaks (1.56, 8.26, 119.72 ppm; 4.50 A): 2 out of 10 assignments used, quality = 1.00: HG LEU 123 + H LEU 123 OK 100 100 100 100 2.2-4.6 4.6=93, 2.1/3944=82...(25) HB2 LEU 119 + H LEU 123 OK 80 85 100 94 5.5-5.9 1.8/11552=71, ~3762=24...(17) HB3 LEU 42 - H ASP 131 far 0 66 0 - 6.0-10.5 HG2 ARG 23 - H GLU 30 far 0 96 0 - 6.2-17.6 HG LEU 49 - H LEU 123 far 0 99 0 - 7.1-10.7 HB2 LEU 103 - H LEU 123 far 0 95 0 - 7.5-10.0 HG LEU 103 - H LEU 123 far 0 99 0 - 7.7-10.6 HB2 LEU 22 - H GLU 30 far 0 82 0 - 8.3-17.6 HG LEU 49 - H GLU 30 far 0 98 0 - 8.4-18.9 HG LEU 49 - H ASP 131 far 0 84 0 - 8.7-10.7 Reference assignment not found: HB3 LEU 123 - H LEU 123 Violated in 0 structures by 0.00 A. Peak 11585 from nnoeabs.peaks (0.80, 7.95, 113.43 ppm; 4.47 A): 3 out of 10 assignments used, quality = 1.00: QD2 LEU 122 + H SER 124 OK 91 97 100 94 4.2-6.0 3907/7761=32...(23) QD1 LEU 122 + H SER 124 OK 91 98 95 97 3.7-6.1 3899/7761=40...(29) QD1 LEU 53 + H SER 124 OK 64 100 90 71 2.5-6.7 3907/7761=20...(16) QD2 LEU 49 - H SER 124 far 15 100 15 - 5.5-8.9 QD2 LEU 119 - H SER 124 far 5 100 5 - 5.9-8.5 QD1 LEU 70 - H SER 124 far 0 81 0 - 6.0-11.6 QD1 LEU 96 - H SER 124 far 0 68 0 - 6.5-8.8 QD1 LEU 103 - H SER 124 far 0 90 0 - 8.7-11.2 QG2 ILE 129 - H SER 124 far 0 73 0 - 9.3-10.3 QG1 VAL 63 - H SER 124 far 0 92 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 11647 from nnoeabs.peaks (7.08, 8.47, 118.09 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.99: QD PHE 89 + H VAL 132 OK 98 98 100 100 3.7-5.3 11943/7917=81...(9) HE ARG 135 + H VAL 132 OK 61 76 80 100 4.8-8.3 11868/3.0=64, ~10635=54...(14) Violated in 0 structures by 0.00 A. Peak 11703 from nnoeabs.peaks (1.23, 8.30, 120.94 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 65 + H LEU 49 OK 100 100 100 100 2.0-4.7 9445=49, 9200/2.9=49...(29) QG2 THR 54 - H LEU 49 far 0 99 0 - 7.3-11.3 Violated in 3 structures by 0.04 A. Peak 11705 from nnoeabs.peaks (0.90, 8.08, 120.56 ppm; 3.89 A): 2 out of 8 assignments used, quality = 0.95: QG1 VAL 118 + H LEU 103 OK 92 100 95 97 3.3-5.8 11709/3.0=34...(18) QG2 VAL 63 + H LEU 103 OK 42 97 55 79 4.4-6.3 11836/3.0=29...(13) QD2 LEU 98 - H LEU 103 far 0 76 0 - 5.7-7.6 QD1 LEU 62 - H LEU 103 far 0 93 0 - 5.8-9.7 QG2 VAL 20 - H LEU 103 far 0 99 0 - 7.8-31.2 QD2 LEU 123 - H LEU 103 far 0 92 0 - 8.5-11.5 QG2 VAL 112 - H LEU 103 far 0 73 0 - 8.5-16.7 QG1 VAL 20 - H LEU 103 far 0 99 0 - 9.1-33.7 Violated in 16 structures by 0.33 A. Peak 11726 from nnoeabs.peaks (0.92, 7.71, 113.84 ppm; 4.11 A): 4 out of 11 assignments used, quality = 0.99: QD1 LEU 49 + H LEU 53 OK 90 99 100 91 3.6-5.1 3.2/6666=27, 4.1/6656=22...(17) QD1 LEU 123 + H LEU 53 OK 73 99 85 87 2.5-6.2 10347/9251=43...(18) QD1 LEU 62 + H LEU 53 OK 30 99 30 99 4.9-9.2 2.1/9251=61...(12) QD2 LEU 48 + H LEU 53 OK 25 97 35 73 4.5-8.6 9231/6662=27...(14) QD1 LEU 119 - H LEU 53 far 12 78 15 - 5.1-12.8 QG1 VAL 57 - H LEU 53 far 6 60 10 - 5.4-7.0 QD1 LEU 48 - H LEU 53 far 5 100 5 - 5.6-8.1 QG1 VAL 20 - H LEU 53 far 5 96 5 - 4.8-28.5 QG2 VAL 20 - H LEU 53 far 0 63 0 - 6.2-26.2 QG1 VAL 118 - H LEU 53 far 0 83 0 - 6.6-13.6 QG2 VAL 63 - H LEU 53 far 0 98 0 - 8.8-12.3 Violated in 3 structures by 0.02 A. Peak 11732 from nnoeabs.peaks (7.78, 7.92, 113.21 ppm; 5.45 A): 2 out of 4 assignments used, quality = 0.86: H VAL 118 + HD22 ASN 116 OK 79 81 100 98 3.5-6.3 3.9/11535=43...(14) HD22 ASN 59 + HD22 ASN 116 OK 34 85 80 50 1.9-12.9 11427/10223=17...(10) HD22 ASN 121 - HD22 ASN 116 poor 18 100 25 71 6.4-10.7 10333/11535=35...(12) H GLU 55 - HD22 ASN 116 far 0 73 0 - 7.6-20.7 Violated in 1 structures by 0.04 A. Peak 11733 from nnoeabs.peaks (7.77, 7.01, 113.21 ppm; 5.84 A): 3 out of 4 assignments used, quality = 0.98: H VAL 118 + HD21 ASN 116 OK 95 96 100 100 2.7-5.7 7642/11532=65...(15) HD22 ASN 121 + HD21 ASN 116 OK 34 95 50 72 5.3-10.6 10332/11532=50...(11) HD22 ASN 59 + HD21 ASN 116 OK 31 63 80 61 2.4-11.4 11427/11425=40...(5) H GLU 55 - HD21 ASN 116 far 0 92 0 - 7.5-19.0 Violated in 0 structures by 0.00 A. Peak 11734 from nnoeabs.peaks (4.37, 7.60, 111.74 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.97: HA PRO 117 + HD21 ASN 120 OK 97 100 100 97 2.6-3.9 11735/1.7=65...(15) HA PRO 113 - HD21 ASN 120 far 0 100 0 - 6.4-14.0 HA CYS 125 - HD21 ASN 120 far 0 95 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 11735 from nnoeabs.peaks (4.37, 6.77, 111.74 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.99: HA PRO 117 + HD22 ASN 120 OK 99 99 100 99 3.6-5.4 11734/1.7=87...(15) HA PRO 113 - HD22 ASN 120 far 0 100 0 - 6.2-15.5 HA THR 115 - HD22 ASN 120 far 0 63 0 - 7.2-11.5 HA CYS 125 - HD22 ASN 120 far 0 87 0 - 8.6-13.6 Violated in 14 structures by 0.44 A. Peak 11737 from nnoeabs.peaks (6.81, 7.76, 112.26 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.69: QE TYR 72 + HE22 GLN 68 OK 69 100 70 99 2.0-8.1 11830/3.5=61...(12) Violated in 14 structures by 1.01 A. Peak 11748 from nnoeabs.peaks (0.90, 8.18, 122.62 ppm; 4.56 A): 3 out of 8 assignments used, quality = 1.00: QG1 VAL 118 + H LEU 122 OK 100 100 100 100 1.6-3.4 10306/7724=55...(31) QD2 LEU 123 + H LEU 122 OK 72 97 75 99 4.2-6.4 3944/3.3=64, ~3952=35...(26) QD1 LEU 62 + H LEU 122 OK 31 87 45 79 4.1-9.0 ~10956=33, ~11483=21...(16) QG2 VAL 63 - H LEU 122 far 5 92 5 - 5.9-9.9 QD2 LEU 98 - H LEU 122 lone 4 85 30 15 4.7-9.0 11470/2.9=2, 3.1/3876=2...(7) QD1 LEU 49 - H LEU 122 far 0 89 0 - 6.3-8.8 QD2 LEU 69 - H LEU 122 far 0 68 0 - 7.7-12.0 QD2 LEU 48 - H LEU 122 far 0 95 0 - 9.8-14.4 Violated in 0 structures by 0.00 A. Peak 11749 from nnoeabs.peaks (0.96, 8.18, 122.62 ppm; 4.85 A): 2 out of 6 assignments used, quality = 0.95: QG1 VAL 126 + H LEU 122 OK 92 99 95 98 4.9-7.9 4020=37, 4015/3.3=34...(22) QG2 VAL 126 + H LEU 122 OK 40 100 40 99 5.2-7.6 11678/3.5=51...(22) QD2 LEU 53 - H LEU 122 poor 20 100 20 - 4.7-8.9 QD1 LEU 119 - H LEU 122 poor 15 76 20 - 4.9-7.6 QG1 VAL 105 - H LEU 122 far 0 100 0 - 9.9-13.6 QG1 VAL 112 - H LEU 122 far 0 100 0 - 10.0-13.9 Violated in 15 structures by 0.41 A. Peak 11751 from nnoeabs.peaks (4.37, 7.54, 116.56 ppm; 4.85 A): 2 out of 4 assignments used, quality = 1.00: HA ASP 78 + H VAL 77 OK 97 97 100 100 5.3-5.4 11189/7043=83...(11) HA CYS 73 + H VAL 77 OK 96 97 100 99 3.3-4.1 11789/3.1=66...(17) HA SER 9 - H VAL 77 far 0 83 0 - 6.9-46.7 HA SER 33 - H VAL 77 far 0 76 0 - 7.1-19.5 Violated in 0 structures by 0.00 A. Peak 11757 from nnoeabs.peaks (3.80, 8.41, 122.27 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.76: HB2 SER 9 + H MET 11 OK 53 100 75 71 2.9-8.1 4.5/6060=59, 11756/3.6=27 HB3 SER 9 + H MET 11 OK 49 99 70 71 2.6-7.6 4.5/6060=59, 11756/3.6=27 HD3 PRO 58 - H MET 11 far 0 81 0 - 8.3-48.6 Violated in 10 structures by 0.41 A. Peak 11760 from nnoeabs.peaks (4.29, 8.37, 109.62 ppm; 4.78 A): 2 out of 12 assignments used, quality = 0.99: HA ALA 15 + H GLY 14 OK 95 100 100 95 4.1-6.0 3.0/6113=77...(9) HA ALA 12 + H GLY 14 OK 88 100 100 88 3.1-5.6 6084/4.7=71...(5) HA THR 18 - H GLY 14 far 5 100 5 - 3.1-13.7 HA ALA 21 - H GLY 14 far 5 100 5 - 6.1-16.3 HA ALA 16 - H GLY 14 poor 5 95 25 21 4.2-9.0 ~10677=10, ~7026=5...(5) HA LYS 31 - H GLY 14 far 5 96 5 - 4.2-26.4 HA LYS 19 - H GLY 14 far 4 78 5 - 5.4-15.5 HA GLN 61 - H GLY 14 far 0 99 0 - 7.3-34.9 HA THR 25 - H GLY 14 far 0 100 0 - 8.3-25.7 HA LYS 26 - H GLY 14 far 0 83 0 - 8.6-25.9 HA ALA 110 - H GLY 14 far 0 100 0 - 9.3-54.8 HA LEU 22 - H GLY 14 far 0 81 0 - 9.7-18.4 Violated in 0 structures by 0.00 A. Peak 11761 from nnoeabs.peaks (4.86, 8.37, 109.62 ppm; 4.75 A): 0 out of 0 assignments used, quality = 0.00: Peak 11781 from nnoeabs.peaks (4.06, 7.90, 116.86 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.63: HA GLU 102 + H SER 106 OK 49 97 55 92 3.3-7.7 11508/7539=50...(12) HA GLN 104 + H SER 106 OK 28 65 50 86 3.3-6.0 3.6/7535=62, 3.0/3432=18...(12) Violated in 7 structures by 0.40 A. Peak 11783 from nnoeabs.peaks (4.00, 8.24, 121.99 ppm; 4.96 A): 1 out of 8 assignments used, quality = 0.77: HA VAL 20 + H ARG 23 OK 77 98 80 98 2.8-7.9 10690/6200=60...(13) HB2 SER 38 - H ARG 23 far 5 92 5 - 5.3-30.2 HB3 SER 51 - H ARG 23 far 0 87 0 - 7.3-29.4 HA GLN 68 - H ARG 23 far 0 99 0 - 7.4-22.9 HB3 SER 106 - H ARG 23 far 0 81 0 - 7.6-41.4 HA THR 65 - H ARG 23 far 0 60 0 - 8.1-22.4 HA SER 60 - H ARG 23 far 0 97 0 - 8.2-29.2 HA ILE 37 - H ARG 23 far 0 81 0 - 9.4-27.7 Violated in 5 structures by 0.57 A. Peak 11784 from nnoeabs.peaks (0.86, 8.38, 118.14 ppm; 5.37 A): 3 out of 10 assignments used, quality = 0.95: QG2 ILE 32 + H ASP 35 OK 90 97 95 98 2.8-6.9 10892/6387=73...(10) QD2 LEU 69 + H THR 65 OK 37 97 40 96 5.0-9.0 11055/6842=70...(7) QD2 LEU 123 + H THR 65 OK 21 71 50 60 4.5-9.0 11510/4.0=32...(7) QG2 ILE 32 - H THR 65 poor 20 100 20 - 5.7-12.3 QG2 VAL 57 - H THR 65 far 10 100 10 - 6.7-8.4 QD2 LEU 70 - H THR 65 far 5 100 5 - 6.7-10.1 QD2 LEU 22 - H ASP 35 far 0 82 0 - 7.4-26.4 QD2 LEU 22 - H THR 65 far 0 87 0 - 7.7-22.4 QD2 LEU 69 - H ASP 35 far 0 93 0 - 7.9-13.6 QD2 LEU 70 - H ASP 35 far 0 97 0 - 9.1-15.0 Violated in 4 structures by 0.10 A. Peak 11785 from nnoeabs.peaks (0.96, 8.66, 113.28 ppm; 3.89 A): 3 out of 11 assignments used, quality = 0.74: QD2 LEU 53 + H SER 50 OK 38 99 40 97 4.4-7.6 11725/2.9=27...(28) QG2 VAL 126 + H SER 50 OK 36 100 40 91 4.4-7.1 2.1/11601=65...(13) QG1 VAL 126 + H SER 50 OK 34 100 35 96 4.5-8.1 11601=85, 10409/9213=27...(13) QG1 VAL 112 - H SER 60 poor 18 90 20 - 3.7-13.7 QD1 LEU 119 - H SER 60 far 0 79 0 - 5.7-11.8 QG1 VAL 57 - H SER 60 far 0 89 0 - 6.2-7.4 QD2 LEU 53 - H SER 60 far 0 91 0 - 7.1-13.6 QG1 VAL 57 - H SER 50 far 0 97 0 - 8.0-9.7 QG2 ILE 37 - H SER 50 far 0 76 0 - 8.2-14.9 QD1 LEU 119 - H SER 50 far 0 89 0 - 8.7-13.7 QG1 VAL 105 - H SER 60 far 0 94 0 - 10.0-13.7 Violated in 20 structures by 0.69 A. Peak 11786 from nnoeabs.peaks (4.37, 6.60, 111.09 ppm; 4.87 A): 0 out of 3 assignments used, quality = 0.00: HA SER 107 - HD21 ASN 59 far 13 87 15 - 6.0-11.2 HA PRO 113 - HD21 ASN 59 far 10 100 10 - 4.8-10.9 HA PRO 117 - HD21 ASN 59 far 0 100 0 - 7.1-15.8 Violated in 19 structures by 1.72 A. Peak 11787 from nnoeabs.peaks (4.36, 7.79, 111.09 ppm; 5.66 A): 0 out of 3 assignments used, quality = 0.00: HA SER 107 - HD22 ASN 59 poor 15 76 20 - 4.3-11.0 HA PRO 113 - HD22 ASN 59 lone 5 99 45 10 3.4-10.9 11564/9347=3...(4) HA PRO 117 - HD22 ASN 59 far 0 100 0 - 8.0-14.4 Violated in 13 structures by 0.69 A. Peak 11789 from nnoeabs.peaks (4.38, 8.04, 121.95 ppm; 4.60 A): 1 out of 6 assignments used, quality = 1.00: HA CYS 73 + H TYR 76 OK 100 100 100 100 2.8-4.1 9538/11139=50...(19) HA SER 33 - H TYR 76 poor 19 93 20 - 4.7-17.2 HA SER 9 - H TYR 76 far 0 97 0 - 6.6-44.9 HA ASP 78 - H TYR 76 far 0 100 0 - 6.7-7.4 HA PRO 113 - H ALA 16 far 0 43 0 - 6.9-44.8 HA SER 33 - H ALA 16 far 0 40 0 - 9.7-30.9 Violated in 0 structures by 0.00 A. Peak 11831 from nnoeabs.peaks (2.94, 8.32, 120.30 ppm; 4.67 A): 1 out of 9 assignments used, quality = 0.97: HG CYS 73 + H TYR 72 OK 97 99 100 98 3.6-5.2 9555/3.5=76...(14) HE3 LYS 36 - H TYR 72 poor 17 87 20 - 3.8-14.0 HE2 LYS 36 - H TYR 72 poor 9 93 30 31 2.8-13.8 10705/9023=14...(5) HB2 CYS 45 - H TYR 72 far 0 100 0 - 6.2-8.5 HE2 LYS 31 - H TYR 72 far 0 81 0 - 7.7-18.1 HE3 LYS 26 - H TYR 72 far 0 73 0 - 8.2-23.3 HE3 LYS 31 - H TYR 72 far 0 73 0 - 8.4-17.9 HE2 LYS 26 - H TYR 72 far 0 73 0 - 9.6-23.8 HE3 LYS 39 - H TYR 72 far 0 90 0 - 9.8-16.4 Violated in 3 structures by 0.03 A. Peak 11833 from nnoeabs.peaks (7.35, 7.35, 84.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 90 + HE ARG 90 OK 100 100 - 100 Peak 11834 from nnoeabs.peaks (6.73, 7.35, 84.71 ppm; 4.01 A): 0 out of 0 assignments used, quality = 0.00: Peak 11835 from nnoeabs.peaks (4.27, 7.35, 84.71 ppm; 6.41 A): 2 out of 3 assignments used, quality = 0.99: HA PHE 87 + HE ARG 90 OK 98 98 100 100 2.2-6.9 2723/11839=84...(15) HA SER 74 + HE ARG 90 OK 50 89 60 94 4.9-10.0 9592/11842=77...(8) HA ARG 84 - HE ARG 90 poor 14 68 20 - 7.1-12.6 Violated in 0 structures by 0.00 A. Peak 11836 from nnoeabs.peaks (3.17, 7.35, 84.71 ppm; 2.94 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 90 + HE ARG 90 OK 100 100 100 100 2.6-2.9 2.9=100 HD3 ARG 90 + HE ARG 90 OK 100 100 100 100 2.6-2.9 2.9=100 HD3 ARG 84 - HE ARG 90 far 0 76 0 - 8.3-15.2 HD2 ARG 84 - HE ARG 90 far 0 76 0 - 8.3-16.6 Violated in 0 structures by 0.00 A. Peak 11837 from nnoeabs.peaks (2.01, 7.35, 84.71 ppm; 3.75 A): 1 out of 5 assignments used, quality = 0.98: HG2 ARG 90 + HE ARG 90 OK 98 99 100 100 2.1-3.6 4.0=82, 1.8/11840=78...(13) HB2 GLU 91 - HE ARG 90 far 0 83 0 - 5.7-8.5 HB3 GLU 91 - HE ARG 90 far 0 87 0 - 6.0-9.4 HB3 GLU 30 - HE ARG 90 far 0 100 0 - 7.3-32.6 HG2 PRO 81 - HE ARG 90 far 0 90 0 - 8.6-15.3 Violated in 0 structures by 0.00 A. Peak 11838 from nnoeabs.peaks (1.95, 7.35, 84.71 ppm; 4.19 A): 2 out of 4 assignments used, quality = 1.00: HB3 ARG 90 + HE ARG 90 OK 100 100 100 100 2.0-4.6 1.8/11839=79...(21) HB3 LYS 86 + HE ARG 90 OK 44 99 55 80 2.7-9.4 9823/11841=35...(9) HB2 GLU 30 - HE ARG 90 far 0 99 0 - 8.0-32.7 HB2 LYS 95 - HE ARG 90 far 0 96 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 11839 from nnoeabs.peaks (1.90, 7.35, 84.71 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.98: HB2 ARG 90 + HE ARG 90 OK 98 98 100 100 2.3-4.0 2.9/11840=70...(18) HB3 ARG 84 - HE ARG 90 far 0 100 0 - 9.3-14.8 Violated in 0 structures by 0.00 A. Peak 11840 from nnoeabs.peaks (1.73, 7.35, 84.71 ppm; 3.57 A): 1 out of 4 assignments used, quality = 0.99: HG3 ARG 90 + HE ARG 90 OK 99 99 100 99 2.1-3.6 4.0=71, 1.8/11837=68...(15) HB ILE 80 - HE ARG 90 far 5 96 5 - 4.4-11.1 HG13 ILE 129 - HE ARG 90 far 0 85 0 - 7.8-10.3 HB2 LEU 70 - HE ARG 90 far 0 93 0 - 9.9-16.9 Violated in 7 structures by 0.01 A. Peak 11841 from nnoeabs.peaks (1.19, 7.35, 84.71 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 77 + HE ARG 90 OK 99 99 100 100 2.0-4.3 9676=96, 2.1/11842=65...(21) HG12 ILE 80 - HE ARG 90 far 8 76 10 - 3.8-9.6 Violated in 7 structures by 0.07 A. Peak 11842 from nnoeabs.peaks (1.06, 7.35, 84.71 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.95: QG1 VAL 77 + HE ARG 90 OK 95 100 95 100 2.1-5.9 2.1/11841=75, 11173=59...(19) QG2 VAL 133 - HE ARG 90 far 0 78 0 - 8.5-12.7 Violated in 10 structures by 0.26 A. Peak 11843 from nnoeabs.peaks (0.87, 7.35, 84.71 ppm; 5.06 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 98 - HE ARG 90 far 0 100 0 - 8.4-13.5 QD2 LEU 70 - HE ARG 90 far 0 92 0 - 9.6-14.5 QD2 LEU 69 - HE ARG 90 far 0 100 0 - 9.7-16.2 QD1 LEU 98 - HE ARG 90 far 0 98 0 - 9.8-15.3 Violated in 20 structures by 4.31 A. Peak 11847 from nnoeabs.peaks (3.81, 7.35, 84.71 ppm; 5.49 A): 1 out of 3 assignments used, quality = 0.95: HA ARG 90 + HE ARG 90 OK 95 95 100 100 2.8-5.5 5.6=93, 3.0/11839=90...(23) HB3 SER 9 - HE ARG 90 far 0 100 0 - 7.3-51.5 HB2 SER 9 - HE ARG 90 far 0 100 0 - 8.7-51.7 Violated in 0 structures by 0.00 A. Peak 11848 from nnoeabs.peaks (8.57, 7.35, 84.71 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.99: H ARG 90 + HE ARG 90 OK 99 99 100 100 3.3-5.7 3.8/11839=97, 11299=96...(23) Violated in 0 structures by 0.00 A. Peak 11855 from nnoeabs.peaks (3.20, 7.25, 84.49 ppm; 3.34 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 84 + HE ARG 84 OK 100 100 100 100 2.3-2.9 2.9=100 HD3 ARG 84 + HE ARG 84 OK 100 100 100 100 2.3-2.9 2.9=100 HD3 ARG 90 - HE ARG 84 far 0 63 0 - 7.8-15.9 HD2 ARG 90 - HE ARG 84 far 0 68 0 - 8.6-15.4 Violated in 0 structures by 0.00 A. Peak 11856 from nnoeabs.peaks (1.64, 7.25, 84.49 ppm; 4.22 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 84 + HE ARG 84 OK 100 100 100 100 2.1-4.0 3.6=100 HG3 ARG 84 + HE ARG 84 OK 100 100 100 100 2.3-3.6 3.6=100 QB ALA 88 - HE ARG 84 lone 7 73 55 18 4.3-9.2 2525/11859=8, 3.0/7182=3...(7) HD3 LYS 86 - HE ARG 84 far 0 78 0 - 8.8-13.1 HD2 LYS 86 - HE ARG 84 far 0 78 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 11857 from nnoeabs.peaks (1.81, 7.25, 84.49 ppm; 5.40 A): 1 out of 3 assignments used, quality = 1.00: HB2 ARG 84 + HE ARG 84 OK 100 100 100 100 2.9-5.1 5.1=100 HB3 ARG 135 - HE ARG 84 far 14 96 15 - 5.6-9.8 HB2 LYS 86 - HE ARG 84 far 5 96 5 - 6.9-9.5 Violated in 0 structures by 0.00 A. Peak 11858 from nnoeabs.peaks (1.91, 7.25, 84.49 ppm; 6.40 A): 1 out of 2 assignments used, quality = 0.98: HB3 ARG 84 + HE ARG 84 OK 98 98 100 100 2.6-5.2 5.1=100 HB2 ARG 135 - HE ARG 84 lone 3 96 55 5 5.2-9.7 2563/3.6=1 Violated in 0 structures by 0.00 A. Peak 11859 from nnoeabs.peaks (4.26, 7.25, 84.49 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.97: HA ARG 84 + HE ARG 84 OK 97 97 100 100 2.1-5.2 5.5=74, 2570/2.9=41...(26) HA PHE 87 - HE ARG 84 far 5 99 5 - 6.1-11.0 Violated in 5 structures by 0.02 A. Peak 11860 from nnoeabs.peaks (7.26, 7.25, 84.49 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HE ARG 84 + HE ARG 84 OK 99 99 - 100 Peak 11864 from nnoeabs.peaks (7.05, 7.05, 84.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 135 + HE ARG 135 OK 100 100 - 100 Peak 11865 from nnoeabs.peaks (7.31, 7.05, 84.98 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: H ARG 135 + HE ARG 135 OK 100 100 100 100 3.9-4.9 10612=80, 7983/11874=77...(18) QD PHE 87 - HE ARG 135 far 0 97 0 - 8.7-12.5 Violated in 13 structures by 0.17 A. Peak 11866 from nnoeabs.peaks (6.61, 7.05, 84.98 ppm; 3.54 A): 0 out of 0 assignments used, quality = 0.00: Peak 11867 from nnoeabs.peaks (4.02, 7.05, 84.98 ppm; 4.79 A): 1 out of 2 assignments used, quality = 0.99: HA ARG 135 + HE ARG 135 OK 99 99 100 100 3.6-5.2 4308/11874=84...(13) HD3 PRO 81 - HE ARG 135 far 0 93 0 - 6.8-12.0 Violated in 10 structures by 0.07 A. Peak 11868 from nnoeabs.peaks (3.52, 7.05, 84.98 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.95: HA VAL 132 + HE ARG 135 OK 95 100 95 100 2.3-5.9 10529/2.9=52...(21) Violated in 7 structures by 0.24 A. Peak 11869 from nnoeabs.peaks (3.24, 7.05, 84.98 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: HD3 ARG 135 + HE ARG 135 OK 100 100 100 100 2.3-2.9 2.9=100 HB3 HIS 4 - HE ARG 135 far 0 100 0 - 7.0-76.9 HB2 PHE 87 - HE ARG 135 far 0 99 0 - 7.6-12.1 HB3 PHE 87 - HE ARG 135 far 0 100 0 - 8.2-12.1 Violated in 0 structures by 0.00 A. Peak 11870 from nnoeabs.peaks (2.94, 7.05, 84.98 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: HD2 ARG 135 + HE ARG 135 OK 100 100 100 100 2.7-2.9 2.9=100 HE3 LYS 39 - HE ARG 135 far 0 97 0 - 7.5-15.8 HE2 LYS 39 - HE ARG 135 far 0 99 0 - 8.0-15.0 Violated in 0 structures by 0.00 A. Peak 11871 from nnoeabs.peaks (2.04, 7.05, 84.98 ppm; 3.30 A): 1 out of 3 assignments used, quality = 0.98: HG3 ARG 135 + HE ARG 135 OK 98 99 100 99 2.1-3.7 1.8/11874=70, 4.0=56...(11) HG3 PRO 81 - HE ARG 135 far 0 94 0 - 5.0-10.6 HB2 GLN 134 - HE ARG 135 far 0 87 0 - 5.9-8.4 Violated in 6 structures by 0.10 A. Peak 11872 from nnoeabs.peaks (1.90, 7.05, 84.98 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: HB2 ARG 135 + HE ARG 135 OK 100 100 100 100 1.9-4.5 1.8/11873=71...(15) HB3 ARG 84 - HE ARG 135 far 10 100 10 - 4.2-8.8 Violated in 7 structures by 0.10 A. Peak 11873 from nnoeabs.peaks (1.81, 7.05, 84.98 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: HB3 ARG 135 + HE ARG 135 OK 100 100 100 100 1.8-4.6 1.8/11872=78...(15) HB2 ARG 84 - HE ARG 135 lone 3 99 35 7 3.8-9.3 11659/11875=5, ~2532=1, ~2531=1 HB2 LYS 86 - HE ARG 135 far 0 83 0 - 7.7-11.3 Violated in 7 structures by 0.12 A. Peak 11874 from nnoeabs.peaks (1.72, 7.05, 84.98 ppm; 3.31 A): 1 out of 4 assignments used, quality = 0.98: HG2 ARG 135 + HE ARG 135 OK 98 99 100 99 2.2-3.6 1.8/11871=71, 10615=57...(9) HB ILE 80 - HE ARG 135 far 0 80 0 - 6.6-12.4 HD3 LYS 39 - HE ARG 135 far 0 100 0 - 8.5-17.5 HG13 ILE 129 - HE ARG 135 far 0 63 0 - 9.3-13.7 Violated in 11 structures by 0.14 A. Peak 11875 from nnoeabs.peaks (1.14, 7.05, 84.98 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.94: QG1 VAL 132 + HE ARG 135 OK 89 100 90 100 2.3-5.9 3.2/11868=52...(26) QG2 VAL 132 + HE ARG 135 OK 45 100 45 100 3.7-7.6 3.2/11868=52...(26) HG2 LYS 39 - HE ARG 135 far 0 100 0 - 8.6-15.3 Violated in 8 structures by 0.27 A. Peak 11876 from nnoeabs.peaks (7.19, 7.19, 84.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 23 + HE ARG 23 OK 100 100 - 100 Peak 11879 from nnoeabs.peaks (4.28, 7.19, 84.58 ppm; 6.80 A): 2 out of 16 assignments used, quality = 1.00: HA ARG 23 + HE ARG 23 OK 100 100 100 100 2.2-6.1 6.4=100 HA LEU 22 + HE ARG 23 OK 74 89 95 88 5.0-8.3 375/7.1=61, 444/3.6=38...(9) HA LYS 19 - HE ARG 23 poor 17 87 20 - 5.7-14.1 HA ALA 21 - HE ARG 23 poor 16 100 75 22 3.2-10.5 453/3.6=7, 444/3.6=6...(5) HA THR 25 - HE ARG 23 far 15 99 15 - 6.0-11.9 HA ALA 16 - HE ARG 23 far 10 98 10 - 7.4-18.4 HA ALA 110 - HE ARG 23 far 5 100 5 - 5.5-45.8 HA GLN 61 - HE ARG 23 far 5 100 5 - 5.1-26.1 HA ALA 12 - HE ARG 23 far 5 100 5 - 7.0-21.1 HA ALA 15 - HE ARG 23 far 5 100 5 - 8.2-20.0 HA ALA 108 - HE ARG 23 far 5 99 5 - 7.0-42.3 HA ALA 109 - HE ARG 23 far 5 99 5 - 7.2-44.8 HA LYS 31 - HE ARG 23 far 5 99 5 - 8.0-24.5 HA LYS 26 - HE ARG 23 lone 3 90 25 12 6.8-13.9 ~472=3, ~463=3, ~472=3 HA LYS 36 - HE ARG 23 lone 1 97 25 3 5.2-30.3 HA THR 18 - HE ARG 23 far 0 99 0 - 8.6-14.2 Violated in 0 structures by 0.00 A. Peak 11880 from nnoeabs.peaks (3.17, 7.19, 84.58 ppm; 3.39 A): 2 out of 6 assignments used, quality = 1.00: HD3 ARG 23 + HE ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 HD2 ARG 23 + HE ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 HB2 HIS 10 - HE ARG 23 far 5 100 5 - 2.9-22.1 HB3 HIS 7 - HE ARG 23 far 0 85 0 - 7.4-31.8 HB2 HIS 6 - HE ARG 23 far 0 89 0 - 7.7-33.4 HB3 HIS 6 - HE ARG 23 far 0 99 0 - 8.2-35.0 Violated in 0 structures by 0.00 A. Peak 11881 from nnoeabs.peaks (1.82, 7.19, 84.58 ppm; 4.73 A): 1 out of 7 assignments used, quality = 1.00: HB3 ARG 23 + HE ARG 23 OK 100 100 100 100 3.0-4.7 4.8=96, 464/2.9=45...(16) HB2 LYS 36 - HE ARG 23 far 15 100 15 - 3.9-29.7 HB3 LYS 19 - HE ARG 23 far 15 99 15 - 3.7-14.9 HB ILE 32 - HE ARG 23 far 5 100 5 - 5.1-24.0 HB3 LYS 24 - HE ARG 23 far 5 100 5 - 6.2-10.8 HB3 LYS 31 - HE ARG 23 far 5 99 5 - 6.1-23.9 HB3 LYS 26 - HE ARG 23 far 0 100 0 - 6.2-16.0 Violated in 0 structures by 0.00 A. Peak 11882 from nnoeabs.peaks (1.75, 7.19, 84.58 ppm; 4.95 A): 1 out of 6 assignments used, quality = 1.00: HB2 ARG 23 + HE ARG 23 OK 100 100 100 100 2.8-5.0 4.8=100 HB2 LYS 19 - HE ARG 23 far 10 100 10 - 4.9-15.3 HB2 LYS 26 - HE ARG 23 far 5 100 5 - 5.9-15.8 HB2 LYS 31 - HE ARG 23 far 5 98 5 - 6.1-24.3 HB2 LYS 24 - HE ARG 23 far 0 100 0 - 7.3-10.7 HB2 LEU 48 - HE ARG 23 far 0 60 0 - 8.2-32.4 Violated in 1 structures by 0.00 A. Peak 11883 from nnoeabs.peaks (1.62, 7.19, 84.58 ppm; 4.74 A): 1 out of 7 assignments used, quality = 1.00: HG3 ARG 23 + HE ARG 23 OK 100 100 100 100 2.1-3.6 3.6=100 HB3 LEU 22 - HE ARG 23 poor 20 99 20 - 4.1-9.4 HG LEU 22 - HE ARG 23 poor 11 99 25 44 4.4-9.9 452/7.1=12, 4.3/11879=11...(7) HD2 LYS 19 - HE ARG 23 far 4 73 5 - 4.1-16.9 HD3 LYS 19 - HE ARG 23 far 4 73 5 - 5.1-15.9 HB2 LEU 98 - HE ARG 23 far 0 65 0 - 9.1-38.5 HG LEU 62 - HE ARG 23 far 0 76 0 - 9.5-31.3 Violated in 0 structures by 0.00 A. Peak 11884 from nnoeabs.peaks (1.58, 7.19, 84.58 ppm; 4.91 A): 1 out of 3 assignments used, quality = 0.99: HG2 ARG 23 + HE ARG 23 OK 99 99 100 100 2.2-4.0 3.6=100 HG13 ILE 37 - HE ARG 23 far 4 81 5 - 6.1-30.9 HG LEU 103 - HE ARG 23 far 0 68 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 11886 from nnoeabs.peaks (2.00, 7.56, 115.93 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: * HG2 PRO 81 + H GLN 82 OK 100 100 100 100 1.7-4.2 11914=95, 2.3/11189=61...(8) HB2 GLN 134 - H GLN 82 far 0 78 0 - 7.9-14.5 HG2 ARG 90 - H GLN 82 far 0 73 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 11917 from nnoeabs.peaks (0.94, 7.99, 115.96 ppm; 4.22 A): 4 out of 11 assignments used, quality = 0.91: QD1 LEU 48 + H SER 51 OK 58 77 90 83 4.7-5.9 4.0/1491=27...(21) QD1 LEU 49 + H SER 51 OK 50 52 100 96 4.0-4.5 4.7/6610=40, 3.2/9224=23...(22) QD1 LEU 123 + H SER 51 OK 44 84 70 75 4.4-6.5 11874/3.6=43...(15) QD2 LEU 53 + H SER 51 OK 22 62 40 91 4.8-7.3 4.3/6658=41, ~10963=34...(14) QG1 VAL 126 - H SER 51 far 0 82 0 - 6.4-10.0 QG2 VAL 126 - H SER 51 far 0 69 0 - 6.6-9.3 QG1 VAL 126 - H SER 94 far 0 92 0 - 6.9-9.5 QD1 LEU 62 - H SER 51 far 0 54 0 - 7.0-11.2 QG2 VAL 126 - H SER 94 far 0 78 0 - 7.3-9.7 QG1 VAL 57 - H SER 51 far 0 92 0 - 7.5-8.7 QD1 LEU 119 - H SER 51 far 0 94 0 - 8.3-14.9 Violated in 0 structures by 0.00 A. Peak 11918 from nnoeabs.peaks (0.85, 7.98, 115.88 ppm; 4.37 A): 1 out of 9 assignments used, quality = 0.22: QD2 LEU 98 + H SER 94 OK 22 64 50 68 4.9-6.8 11642/2.9=20...(13) QD2 LEU 70 - H SER 94 far 9 93 10 - 5.4-8.9 QD1 LEU 98 - H SER 94 far 9 89 10 - 5.4-8.3 QD2 LEU 69 - H SER 51 far 0 89 0 - 6.3-10.0 QG2 VAL 57 - H SER 51 far 0 97 0 - 6.6-7.9 QD2 LEU 69 - H SER 94 far 0 79 0 - 7.7-11.8 QG1 VAL 133 - H SER 94 far 0 81 0 - 9.0-10.6 QD2 LEU 22 - H SER 51 far 0 97 0 - 9.4-26.4 QD2 LEU 70 - H SER 51 far 0 100 0 - 9.8-15.5 Violated in 20 structures by 1.46 A. Peak 11919 from nnoeabs.peaks (0.69, 7.13, 112.66 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.67: QD1 LEU 43 + HE22 GLN 134 OK 67 96 70 100 1.8-7.5 2.1/10630=85...(11) Violated in 11 structures by 0.92 A. Peak 11920 from nnoeabs.peaks (8.13, 8.00, 120.91 ppm; 4.49 A): 0 out of 4 assignments used, quality = 0.00: H ILE 32 - H LYS 36 far 0 99 0 - 6.6-9.8 H THR 25 - H LYS 36 far 0 60 0 - 7.3-24.1 H ASP 71 - H LYS 36 far 0 100 0 - 8.3-13.0 H LEU 22 - H LYS 36 far 0 90 0 - 8.9-28.6 Violated in 20 structures by 3.02 A. Peak 11921 from nnoeabs.peaks (8.07, 6.60, 111.09 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.99: H LEU 103 + HD21 ASN 59 OK 96 97 100 100 6.1-8.2 7476/11424=89...(7) H ALA 109 + HD21 ASN 59 OK 61 96 65 98 1.7-12.0 4.6/11482=84...(7) H ALA 108 + HD21 ASN 59 OK 58 97 60 99 4.7-11.5 11482=96, 2.9/9341=40...(7) H ASN 120 - HD21 ASN 59 far 5 99 5 - 7.9-16.0 Violated in 4 structures by 0.09 A. Peak 11940 from nnoeabs.peaks (0.86, 8.43, 125.99 ppm; 6.80 A): 1 out of 7 assignments used, quality = 1.00: QG2 ILE 32 + H ALA 34 OK 100 100 100 100 4.1-6.1 10811=99, 10777/939=99...(12) QD2 LEU 22 - H ALA 12 poor 17 66 25 - 2.2-18.0 QD2 LEU 70 - H ALA 34 far 10 100 10 - 7.1-15.7 QD2 LEU 69 - H ALA 34 far 10 97 10 - 6.2-12.6 QD2 LEU 22 - H ALA 34 far 4 87 5 - 7.1-24.9 QG1 VAL 133 - H ALA 34 far 0 76 0 - 8.8-14.5 QG2 VAL 57 - H ALA 12 far 0 83 0 - 9.0-36.2 Violated in 0 structures by 0.00 A. Peak 11941 from nnoeabs.peaks (4.20, 8.06, 121.67 ppm; 6.80 A): 1 out of 7 assignments used, quality = 1.00: HB THR 18 + H VAL 20 OK 100 100 100 100 2.5-5.2 6146/6159=99...(10) HB THR 25 - H VAL 20 far 10 100 10 - 6.3-17.2 HA SER 51 - H VAL 20 far 4 87 5 - 6.4-35.9 HB3 SER 38 - H VAL 20 far 4 73 5 - 5.4-34.1 HA GLU 30 - H VAL 20 far 3 65 5 - 7.4-23.3 HA ALA 29 - H VAL 20 far 0 57 0 - 9.3-20.8 HA ALA 34 - H VAL 20 far 0 68 0 - 9.5-29.9 Violated in 0 structures by 0.00 A. Peak 6 from cnoeabs.peaks (3.89, 3.89, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 * HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Peak 7 from cnoeabs.peaks (3.89, 3.89, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Reference assignment not found: HA3 GLY 2 - HA2 GLY 2 Peak 9 from cnoeabs.peaks (3.89, 3.89, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Reference assignment not found: HA2 GLY 2 - HA3 GLY 2 Peak 10 from cnoeabs.peaks (3.89, 3.89, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Peak 13 from cnoeabs.peaks (4.61, 4.61, 55.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 3 + HA HIS 3 OK 100 100 - 100 HA GLN 82 + HA GLN 82 OK 42 42 - 100 Peak 14 from cnoeabs.peaks (3.02, 4.61, 55.20 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 3 + HA HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 HIS 3 - HA GLN 82 far 2 48 5 - 5.6-74.2 Violated in 0 structures by 0.00 A. Peak 15 from cnoeabs.peaks (3.15, 4.61, 55.20 ppm; 5.66 A): 1 out of 6 assignments used, quality = 1.00: * HB3 HIS 3 + HA HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 6 - HA HIS 3 far 10 97 10 - 5.1-12.7 HB2 HIS 6 - HA HIS 3 far 5 100 5 - 6.7-12.8 HB3 HIS 3 - HA GLN 82 far 2 48 5 - 5.7-73.3 HB3 HIS 7 - HA HIS 3 far 0 100 0 - 8.6-16.1 HB3 HIS 6 - HA GLN 82 far 0 43 0 - 10.0-67.9 Violated in 0 structures by 0.00 A. Peak 18 from cnoeabs.peaks (4.61, 3.02, 28.79 ppm; 6.59 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 3 + HB2 HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 82 - HB2 HIS 3 far 5 95 5 - 5.6-74.2 HA HIS 6 - HB2 HIS 3 far 3 60 5 - 6.5-11.9 Violated in 0 structures by 0.00 A. Peak 19 from cnoeabs.peaks (3.02, 3.02, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 3 + HB2 HIS 3 OK 100 100 - 100 Peak 20 from cnoeabs.peaks (3.15, 3.02, 28.79 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 3 + HB2 HIS 3 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 6 - HB2 HIS 3 far 0 97 0 - 6.6-12.1 HB3 HIS 7 - HB2 HIS 3 far 0 100 0 - 8.1-15.9 HB2 HIS 6 - HB2 HIS 3 far 0 100 0 - 8.2-13.4 Violated in 0 structures by 0.00 A. Peak 21 from cnoeabs.peaks (8.52, 3.02, 28.79 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 4 + HB2 HIS 3 OK 100 100 100 100 2.1-4.6 4.7=100 H HIS 5 - HB2 HIS 3 lone 14 99 100 13 3.1-7.7 26/1.8=8, 3.6/18=3 Violated in 0 structures by 0.00 A. Peak 23 from cnoeabs.peaks (4.61, 3.15, 28.79 ppm; 4.14 A): 3 out of 8 assignments used, quality = 1.00: * HA HIS 3 + HB3 HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB2 HIS 6 OK 33 33 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB3 HIS 6 OK 26 26 100 100 2.4-3.0 3.0=100 HA HIS 3 - HB3 HIS 6 far 3 54 5 - 5.1-12.7 HA GLN 82 - HB3 HIS 3 far 0 95 0 - 5.7-73.3 HA HIS 3 - HB2 HIS 6 far 0 66 0 - 6.7-12.8 HA HIS 6 - HB3 HIS 3 far 0 60 0 - 7.0-12.3 HA GLN 82 - HB3 HIS 6 far 0 47 0 - 10.0-67.9 Violated in 0 structures by 0.00 A. Peak 24 from cnoeabs.peaks (3.02, 3.15, 28.79 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 3 + HB3 HIS 3 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 3 - HB3 HIS 6 far 0 54 0 - 6.6-12.1 HB2 HIS 3 - HB2 HIS 6 far 0 66 0 - 8.2-13.4 Violated in 0 structures by 0.00 A. Peak 25 from cnoeabs.peaks (3.15, 3.15, 28.79 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 HIS 3 + HB3 HIS 3 OK 100 100 - 100 HB2 HIS 6 + HB2 HIS 6 OK 66 66 - 100 HB3 HIS 6 + HB3 HIS 6 OK 49 49 - 100 Peak 26 from cnoeabs.peaks (8.52, 3.15, 28.79 ppm; 5.55 A): 1 out of 8 assignments used, quality = 1.00: * H HIS 4 + HB3 HIS 3 OK 100 100 100 100 2.0-4.4 4.7=100 H HIS 4 - HB3 HIS 6 poor 13 54 25 - 5.8-10.4 H HIS 5 - HB3 HIS 3 lone 8 99 65 12 2.6-8.1 21/1.8=7, 3.6/23=3, 6556=1 H HIS 5 - HB2 HIS 6 lone 1 64 85 2 4.8-7.6 H HIS 5 - HB3 HIS 6 lone 1 52 95 2 4.0-7.3 H HIS 4 - HB2 HIS 6 far 0 66 0 - 7.5-10.4 H ALA 46 - HB3 HIS 3 far 0 95 0 - 9.2-62.8 H ALA 46 - HB2 HIS 6 far 0 58 0 - 9.9-55.0 Violated in 0 structures by 0.00 A. Peak 28 from cnoeabs.peaks (4.64, 4.64, 55.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA HIS 4 + HA HIS 4 OK 100 100 - 100 HA HIS 6 + HA HIS 6 OK 99 99 - 100 HA HIS 7 + HA HIS 7 OK 89 89 - 100 Peak 33 from cnoeabs.peaks (4.64, 3.11, 28.89 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 4 + HB2 HIS 4 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 - HB2 HIS 4 far 0 100 0 - 5.4-9.0 HA HIS 7 - HB2 HIS 4 far 0 99 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 34 from cnoeabs.peaks (3.11, 3.11, 28.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 4 + HB2 HIS 4 OK 100 100 - 100 Peak 35 from cnoeabs.peaks (3.23, 3.11, 28.89 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 4 + HB2 HIS 4 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 5 - HB2 HIS 4 poor 17 100 70 24 4.0-7.9 4.0/6556=11, ~52=5...(4) HD3 ARG 135 - HB2 HIS 4 far 0 100 0 - 7.2-74.0 Violated in 0 structures by 0.00 A. Peak 38 from cnoeabs.peaks (4.64, 3.23, 28.89 ppm; 6.26 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 4 + HB3 HIS 4 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 - HB3 HIS 4 lone 8 100 75 11 5.6-8.7 11936=4, 11935/1.8=3, 16/4.0=2 HA HIS 7 - HB3 HIS 4 far 0 99 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 39 from cnoeabs.peaks (3.11, 3.23, 28.89 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 4 + HB3 HIS 4 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 7 - HB3 HIS 4 far 0 99 0 - 8.8-13.3 Violated in 0 structures by 0.00 A. Peak 40 from cnoeabs.peaks (3.23, 3.23, 28.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 4 + HB3 HIS 4 OK 100 100 - 100 Peak 43 from cnoeabs.peaks (4.41, 4.41, 54.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 5 + HA HIS 5 OK 100 100 - 100 HA MET 11 + HA MET 11 OK 61 61 - 100 Peak 45 from cnoeabs.peaks (3.07, 4.41, 54.88 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 5 + HA HIS 5 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 86 - HA MET 11 far 3 68 5 - 7.2-51.3 Violated in 0 structures by 0.00 A. Peak 48 from cnoeabs.peaks (3.23, 3.23, 27.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 5 + HB2 HIS 5 OK 100 100 - 100 Peak 49 from cnoeabs.peaks (3.07, 3.23, 27.29 ppm; 6.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 5 + HB2 HIS 5 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 52 from cnoeabs.peaks (3.23, 3.07, 27.29 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 5 + HB3 HIS 5 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 4 + HB3 HIS 5 OK 25 100 100 25 4.7-7.4 ~35=14, ~11936=10 HB3 HIS 8 - HB3 HIS 5 far 8 78 10 - 5.3-12.9 Violated in 0 structures by 0.00 A. Peak 53 from cnoeabs.peaks (3.07, 3.07, 27.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 5 + HB3 HIS 5 OK 100 100 - 100 Peak 54 from cnoeabs.peaks (4.64, 4.64, 55.13 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA HIS 6 + HA HIS 6 OK 100 100 - 100 HA HIS 4 + HA HIS 4 OK 99 99 - 100 HA HIS 7 + HA HIS 7 OK 89 89 - 100 Peak 55 from cnoeabs.peaks (3.16, 4.64, 55.13 ppm; 3.05 A): 3 out of 18 assignments used, quality = 1.00: * HB2 HIS 6 + HA HIS 6 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 6 + HA HIS 6 OK 98 98 100 100 2.4-3.0 3.0=100 HB3 HIS 7 + HA HIS 7 OK 92 92 100 100 2.4-2.7 3.0=100 HB2 HIS 8 - HA HIS 7 poor 17 69 25 - 3.9-6.0 HB2 HIS 6 - HA HIS 7 poor 13 93 40 34 3.8-5.9 ~6030=7, ~57=6, 77=5...(10) HB3 HIS 6 - HA HIS 4 far 10 97 10 - 3.8-9.4 HB3 HIS 7 - HA HIS 6 poor 9 100 30 30 3.9-6.3 3.9/57=15, 1.8/72=7...(8) HB3 HIS 6 - HA HIS 7 far 9 89 10 - 3.9-6.0 HB3 HIS 3 - HA HIS 4 lone 7 99 55 12 3.9-5.7 58/4.8=6, 23=2, 1.8/18=2 HB2 HIS 6 - HA HIS 4 far 0 100 0 - 5.1-9.4 HB2 HIS 8 - HA HIS 6 far 0 81 0 - 5.4-9.7 HD2 ARG 23 - HA HIS 7 far 0 85 0 - 6.0-30.6 HD3 ARG 23 - HA HIS 7 far 0 85 0 - 6.5-31.6 HB3 HIS 3 - HA HIS 6 far 0 100 0 - 7.0-12.3 HB3 HIS 7 - HA HIS 4 far 0 99 0 - 7.2-13.0 HB2 HIS 10 - HA HIS 7 far 0 76 0 - 7.5-12.3 HB3 HIS 3 - HA HIS 7 far 0 92 0 - 8.8-15.4 HD2 ARG 23 - HA HIS 6 far 0 96 0 - 9.7-34.0 Violated in 0 structures by 0.00 A. Peak 56 from cnoeabs.peaks (3.17, 4.64, 55.13 ppm; 3.03 A): 3 out of 16 assignments used, quality = 1.00: * HB3 HIS 6 + HA HIS 6 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 HIS 6 + HA HIS 6 OK 98 98 100 100 2.4-3.0 3.0=100 HB3 HIS 7 + HA HIS 7 OK 87 87 100 100 2.4-2.7 3.0=100 HB2 HIS 6 - HA HIS 7 poor 12 89 40 34 3.8-5.9 ~6030=7, ~57=6, 77=5...(10) HB3 HIS 6 - HA HIS 4 far 10 100 10 - 3.8-9.4 HB3 HIS 6 - HA HIS 7 far 9 93 10 - 3.9-6.0 HB3 HIS 7 - HA HIS 6 poor 9 97 30 30 3.9-6.3 3.9/57=15, 1.8/72=7...(7) HB3 HIS 3 - HA HIS 4 lone 6 95 55 11 3.9-5.7 58/4.8=5, 23=2, 1.8/18=2 HB2 HIS 6 - HA HIS 4 far 0 97 0 - 5.1-9.4 HD2 ARG 23 - HA HIS 7 far 0 92 0 - 6.0-30.6 HD3 ARG 23 - HA HIS 7 far 0 92 0 - 6.5-31.6 HB3 HIS 3 - HA HIS 6 far 0 97 0 - 7.0-12.3 HB3 HIS 7 - HA HIS 4 far 0 95 0 - 7.2-13.0 HB2 HIS 10 - HA HIS 7 far 0 89 0 - 7.5-12.3 HB3 HIS 3 - HA HIS 7 far 0 87 0 - 8.8-15.4 HD2 ARG 23 - HA HIS 6 far 0 100 0 - 9.7-34.0 Violated in 0 structures by 0.00 A. Peak 57 from cnoeabs.peaks (8.69, 4.64, 55.13 ppm; 3.16 A): 2 out of 5 assignments used, quality = 0.99: H HIS 7 + HA HIS 7 OK 93 93 100 100 2.8-2.9 2.9=100 * H HIS 7 + HA HIS 6 OK 81 100 100 81 2.1-3.3 3.6=70, 4.4/58=16...(13) H HIS 7 - HA HIS 4 far 0 100 0 - 6.3-10.0 H HIS 10 - HA HIS 7 far 0 78 0 - 7.6-10.1 H HIS 10 - HA HIS 6 far 0 89 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 58 from cnoeabs.peaks (4.64, 3.16, 29.14 ppm; 3.80 A): 6 out of 18 assignments used, quality = 1.00: * HA HIS 6 + HB2 HIS 6 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB3 HIS 6 OK 94 94 100 100 2.4-3.0 3.0=100 HA HIS 7 + HB3 HIS 7 OK 91 91 100 100 2.4-2.7 3.0=100 HA HIS 7 + HB2 HIS 6 OK 38 99 80 49 3.8-5.9 ~6030=12, ~57=12, ~116=8...(12) HA HIS 3 + HB3 HIS 3 OK 33 33 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB3 HIS 7 OK 22 94 60 40 3.9-6.3 57/3.9=25, 69=6...(7) HA HIS 7 - HB3 HIS 6 poor 17 91 40 46 3.9-6.0 ~6030=12, ~57=12, 68=7...(12) HA HIS 4 - HB3 HIS 6 far 9 94 10 - 3.8-9.4 HA HIS 4 - HB2 HIS 6 far 5 100 5 - 5.1-9.4 HA HIS 4 - HB3 HIS 3 lone 3 66 60 8 3.9-5.7 18/1.8=3, 55=2, ~38=2 HA HIS 3 - HB3 HIS 6 far 3 52 5 - 5.1-12.7 HA ASN 13 - HB2 HIS 10 far 0 24 0 - 5.4-12.1 HA HIS 3 - HB2 HIS 6 far 0 60 0 - 6.7-12.8 HA HIS 6 - HB3 HIS 3 far 0 66 0 - 7.0-12.3 HA HIS 4 - HB3 HIS 7 far 0 94 0 - 7.2-13.0 HA HIS 7 - HB2 HIS 10 far 0 31 0 - 7.5-12.3 HA HIS 3 - HB3 HIS 7 far 0 52 0 - 8.6-16.1 HA HIS 7 - HB3 HIS 3 far 0 63 0 - 8.8-15.4 Violated in 0 structures by 0.00 A. Peak 59 from cnoeabs.peaks (3.16, 3.16, 29.14 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 HIS 6 + HB2 HIS 6 OK 100 100 - 100 HB3 HIS 7 + HB3 HIS 7 OK 94 94 - 100 HB3 HIS 6 + HB3 HIS 6 OK 90 90 - 100 HB3 HIS 3 + HB3 HIS 3 OK 66 66 - 100 HB2 HIS 10 + HB2 HIS 10 OK 25 25 - 100 Peak 60 from cnoeabs.peaks (3.17, 3.16, 29.14 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 HIS 6 + HB2 HIS 6 OK 98 98 - 100 HB3 HIS 6 + HB3 HIS 6 OK 94 94 - 100 HB3 HIS 7 + HB3 HIS 7 OK 88 88 - 100 HB3 HIS 3 + HB3 HIS 3 OK 60 60 - 100 HB2 HIS 10 + HB2 HIS 10 OK 31 31 - 100 Reference assignment not found: HB3 HIS 6 - HB2 HIS 6 Peak 61 from cnoeabs.peaks (8.69, 3.16, 29.14 ppm; 6.21 A): 4 out of 10 assignments used, quality = 1.00: * H HIS 7 + HB2 HIS 6 OK 100 100 100 100 2.0-4.4 4.4=100 H HIS 7 + HB3 HIS 7 OK 94 94 100 100 2.3-4.1 3.9=100 H HIS 7 + HB3 HIS 6 OK 94 94 100 100 2.1-4.3 4.4=100 H HIS 10 + HB2 HIS 10 OK 26 26 100 100 2.6-3.5 4.0=100 H HIS 10 - HB3 HIS 7 far 4 80 5 - 6.1-11.2 H HIS 10 - HB3 HIS 6 far 0 79 0 - 8.7-14.3 H HIS 7 - HB3 HIS 3 far 0 66 0 - 8.8-14.6 H HIS 10 - HB2 HIS 6 far 0 89 0 - 8.9-14.8 H LYS 39 - HB3 HIS 7 far 0 91 0 - 9.7-53.9 H HIS 7 - HB2 HIS 10 far 0 33 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 62 from cnoeabs.peaks (4.64, 3.17, 29.14 ppm; 3.75 A): 5 out of 18 assignments used, quality = 1.00: * HA HIS 6 + HB3 HIS 6 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB2 HIS 6 OK 94 94 100 100 2.4-3.0 3.0=100 HA HIS 7 + HB3 HIS 7 OK 78 78 100 100 2.4-2.7 3.0=100 HA HIS 7 + HB2 HIS 6 OK 34 91 80 47 3.8-5.9 ~6030=12, ~57=12, ~116=8...(12) HA HIS 3 + HB3 HIS 3 OK 26 26 100 100 2.4-3.0 3.0=100 HA HIS 6 - HB3 HIS 7 poor 19 81 60 39 3.9-6.3 57/3.9=24, 55=6...(7) HA HIS 7 - HB3 HIS 6 poor 16 99 35 46 3.9-6.0 ~6030=12, ~57=12, 68=7...(13) HA HIS 4 - HB3 HIS 6 far 10 100 10 - 3.8-9.4 HA HIS 4 - HB2 HIS 6 far 5 94 5 - 5.1-9.4 HA HIS 3 - HB3 HIS 6 far 3 60 5 - 5.1-12.7 HA HIS 4 - HB3 HIS 3 lone 2 54 60 7 3.9-5.7 18/1.8=2, 55=2, ~38=2 HA ASN 13 - HB2 HIS 10 far 0 39 0 - 5.4-12.1 HA HIS 3 - HB2 HIS 6 far 0 52 0 - 6.7-12.8 HA HIS 6 - HB3 HIS 3 far 0 54 0 - 7.0-12.3 HA HIS 4 - HB3 HIS 7 far 0 81 0 - 7.2-13.0 HA HIS 7 - HB2 HIS 10 far 0 50 0 - 7.5-12.3 HA HIS 3 - HB3 HIS 7 far 0 42 0 - 8.6-16.1 HA HIS 7 - HB3 HIS 3 far 0 51 0 - 8.8-15.4 Violated in 0 structures by 0.00 A. Peak 63 from cnoeabs.peaks (3.16, 3.17, 29.14 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 HIS 6 + HB3 HIS 6 OK 98 98 - 100 HB2 HIS 6 + HB2 HIS 6 OK 94 94 - 100 HB3 HIS 7 + HB3 HIS 7 OK 81 81 - 100 HB3 HIS 3 + HB3 HIS 3 OK 54 54 - 100 HB2 HIS 10 + HB2 HIS 10 OK 40 40 - 100 Reference assignment not found: HB2 HIS 6 - HB3 HIS 6 Peak 64 from cnoeabs.peaks (3.17, 3.17, 29.14 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 HIS 6 + HB3 HIS 6 OK 100 100 - 100 HB2 HIS 6 + HB2 HIS 6 OK 90 90 - 100 HB3 HIS 7 + HB3 HIS 7 OK 74 74 - 100 HB2 HIS 10 + HB2 HIS 10 OK 50 50 - 100 HB3 HIS 3 + HB3 HIS 3 OK 49 49 - 100 Peak 65 from cnoeabs.peaks (8.69, 3.17, 29.14 ppm; 5.93 A): 4 out of 10 assignments used, quality = 1.00: * H HIS 7 + HB3 HIS 6 OK 100 100 100 100 2.1-4.3 4.4=100 H HIS 7 + HB2 HIS 6 OK 94 94 100 100 2.0-4.4 4.4=100 H HIS 7 + HB3 HIS 7 OK 81 81 100 100 2.3-4.1 3.9=100 H HIS 10 + HB2 HIS 10 OK 42 42 100 100 2.6-3.5 4.0=100 H HIS 10 - HB3 HIS 7 far 3 66 5 - 6.1-11.2 H HIS 10 - HB3 HIS 6 far 0 89 0 - 8.7-14.3 H HIS 7 - HB3 HIS 3 far 0 54 0 - 8.8-14.6 H HIS 10 - HB2 HIS 6 far 0 79 0 - 8.9-14.8 H LYS 39 - HB3 HIS 7 far 0 78 0 - 9.7-53.9 H HIS 7 - HB2 HIS 10 far 0 53 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 67 from cnoeabs.peaks (4.65, 4.65, 55.24 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA HIS 7 + HA HIS 7 OK 100 100 - 100 HA HIS 6 + HA HIS 6 OK 89 89 - 100 HA HIS 4 + HA HIS 4 OK 89 89 - 100 Peak 68 from cnoeabs.peaks (3.11, 4.65, 55.24 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * HB2 HIS 7 + HA HIS 7 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 HIS 4 + HA HIS 4 OK 89 89 100 100 2.4-3.0 3.0=100 HB2 HIS 7 - HA HIS 6 poor 19 93 20 - 4.1-6.4 HB2 HIS 8 - HA HIS 7 poor 18 78 45 52 3.9-6.0 4.0/6036=37, 77=8...(7) HB2 HIS 4 - HA HIS 6 far 0 91 0 - 5.4-9.0 HB2 HIS 8 - HA HIS 6 far 0 67 0 - 5.4-9.7 HB2 HIS 7 - HA HIS 4 far 0 91 0 - 7.8-12.8 HB2 HIS 4 - HA HIS 7 far 0 99 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 69 from cnoeabs.peaks (3.15, 4.65, 55.24 ppm; 2.92 A): 3 out of 18 assignments used, quality = 1.00: * HB3 HIS 7 + HA HIS 7 OK 94 100 100 94 2.4-2.7 3.0=92, 4.6/6036=22, ~58=3 HB2 HIS 6 + HA HIS 6 OK 85 92 100 92 2.4-3.0 3.0=90, 4.4/6030=11, ~58=6 HB3 HIS 6 + HA HIS 6 OK 82 87 100 95 2.4-3.0 3.0=90, 1.8/58=35...(4) HB2 HIS 6 - HA HIS 7 poor 11 100 35 31 3.8-5.9 ~6030=6, ~57=6, 77=5...(10) HB3 HIS 6 - HA HIS 7 far 10 97 10 - 3.9-6.0 HB3 HIS 6 - HA HIS 4 far 8 84 10 - 3.8-9.4 HB2 HIS 8 - HA HIS 7 poor 8 85 25 39 3.9-6.0 4.0/6036=28, 1.8/11936=7...(5) HB3 HIS 7 - HA HIS 6 poor 8 93 30 27 3.9-6.3 3.9/6030=13, 1.8/72=7...(7) HB3 HIS 3 - HA HIS 4 lone 5 91 55 10 3.9-5.7 58/4.8=5, 23=2, 1.8/18=1 HB2 HIS 6 - HA HIS 4 far 0 91 0 - 5.1-9.4 HB2 HIS 8 - HA HIS 6 far 0 74 0 - 5.4-9.7 HD2 ARG 23 - HA HIS 7 far 0 93 0 - 6.0-30.6 HD3 ARG 23 - HA HIS 7 far 0 93 0 - 6.5-31.6 HB3 HIS 3 - HA HIS 6 far 0 93 0 - 7.0-12.3 HB3 HIS 7 - HA HIS 4 far 0 91 0 - 7.2-13.0 HB2 HIS 10 - HA HIS 7 far 0 83 0 - 7.5-12.3 HB3 HIS 3 - HA HIS 7 far 0 100 0 - 8.8-15.4 HD2 ARG 23 - HA HIS 6 far 0 83 0 - 9.7-34.0 Violated in 0 structures by 0.00 A. Peak 71 from cnoeabs.peaks (8.69, 3.11, 29.32 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 7 + HB2 HIS 7 OK 100 100 100 100 2.3-4.0 3.9=100 H HIS 10 - HB2 HIS 7 far 0 89 0 - 6.9-10.3 H LYS 39 - HB2 HIS 7 far 0 99 0 - 8.9-53.4 Violated in 0 structures by 0.00 A. Peak 72 from cnoeabs.peaks (4.65, 3.11, 29.32 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 7 + HB2 HIS 7 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 - HB2 HIS 7 poor 16 99 45 36 4.1-6.4 57/3.9=21, 68=7...(7) HA HIS 4 - HB2 HIS 7 far 0 99 0 - 7.8-12.8 Violated in 0 structures by 0.00 A. Peak 73 from cnoeabs.peaks (3.11, 3.11, 29.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 7 + HB2 HIS 7 OK 100 100 - 100 Peak 74 from cnoeabs.peaks (3.15, 3.11, 29.32 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 HIS 7 + HB2 HIS 7 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 8 - HB2 HIS 7 far 4 85 5 - 3.8-7.1 HB2 HIS 6 - HB2 HIS 7 far 0 100 0 - 4.3-7.4 HB3 HIS 6 - HB2 HIS 7 far 0 97 0 - 5.1-7.6 HD2 ARG 23 - HB2 HIS 7 far 0 93 0 - 5.3-30.5 HD3 ARG 23 - HB2 HIS 7 far 0 93 0 - 5.9-31.6 HB3 HIS 3 - HB2 HIS 7 far 0 100 0 - 7.0-17.0 HB2 HIS 10 - HB2 HIS 7 far 0 83 0 - 7.3-11.8 Violated in 0 structures by 0.00 A. Peak 75 from cnoeabs.peaks (8.66, 3.11, 29.32 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 8 + HB2 HIS 7 OK 100 100 100 100 1.9-4.1 4.6=100 H SER 50 - HB2 HIS 7 far 5 100 5 - 8.0-53.7 H LYS 39 - HB2 HIS 7 far 0 60 0 - 8.9-53.4 Violated in 0 structures by 0.00 A. Peak 76 from cnoeabs.peaks (8.69, 3.15, 29.32 ppm; 5.95 A): 4 out of 9 assignments used, quality = 1.00: * H HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.3-4.1 3.9=100 H HIS 7 + HB2 HIS 6 OK 94 94 100 100 2.0-4.4 4.4=100 H HIS 7 + HB3 HIS 6 OK 81 81 100 100 2.1-4.3 4.4=100 H HIS 10 + HB2 HIS 8 OK 21 48 65 67 3.4-8.1 6051/4.6=66, 3.0/87=2 H HIS 7 - HB2 HIS 8 poor 16 61 100 26 4.1-7.4 ~11936=15, 2.9/55=7, 6032=4 H HIS 10 - HB3 HIS 7 far 4 89 5 - 6.1-11.2 H HIS 10 - HB3 HIS 6 far 0 66 0 - 8.7-14.3 H HIS 10 - HB2 HIS 6 far 0 80 0 - 8.9-14.8 H LYS 39 - HB3 HIS 7 far 0 99 0 - 9.7-53.9 Violated in 0 structures by 0.00 A. Peak 77 from cnoeabs.peaks (4.65, 3.15, 29.32 ppm; 3.43 A): 5 out of 12 assignments used, quality = 1.00: * HA HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.4-2.7 3.0=100 HA HIS 6 + HB2 HIS 6 OK 91 91 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB3 HIS 6 OK 78 78 100 100 2.4-3.0 3.0=100 HA HIS 7 + HB2 HIS 6 OK 27 94 70 41 3.8-5.9 ~6030=9, ~57=9, 55=8...(12) HA HIS 6 + HB3 HIS 7 OK 20 99 60 34 3.9-6.3 57/3.9=20, 69=6...(6) HA HIS 7 - HB2 HIS 8 poor 17 61 55 50 3.9-6.0 6036/4.0=40, 11936/1.8=7...(5) HA HIS 7 - HB3 HIS 6 poor 9 81 30 39 3.9-6.0 ~6030=9, ~57=9, 68=7...(12) HA HIS 4 - HB3 HIS 6 far 8 79 10 - 3.8-9.4 HA HIS 4 - HB2 HIS 6 far 0 93 0 - 5.1-9.4 HA HIS 6 - HB2 HIS 8 far 0 58 0 - 5.4-9.7 HA HIS 4 - HB3 HIS 7 far 0 99 0 - 7.2-13.0 HA ASN 13 - HB2 HIS 8 far 0 55 0 - 9.1-18.8 Violated in 0 structures by 0.00 A. Peak 78 from cnoeabs.peaks (3.11, 3.15, 29.32 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * HB2 HIS 7 + HB3 HIS 7 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 8 - HB3 HIS 7 far 4 78 5 - 3.9-7.6 HB2 HIS 7 - HB2 HIS 8 far 3 61 5 - 3.8-7.1 HB2 HIS 8 - HB2 HIS 6 far 0 69 0 - 4.2-10.6 HB2 HIS 7 - HB2 HIS 6 far 0 94 0 - 4.3-7.4 HB2 HIS 4 - HB3 HIS 6 far 0 79 0 - 4.9-10.3 HB2 HIS 7 - HB3 HIS 6 far 0 81 0 - 5.1-7.6 HB2 HIS 8 - HB3 HIS 6 far 0 56 0 - 5.8-10.1 HB2 HIS 4 - HB2 HIS 6 far 0 93 0 - 6.4-10.0 HB2 HIS 4 - HB3 HIS 7 far 0 99 0 - 8.2-12.3 HB3 CYS 45 - HB3 HIS 7 far 0 85 0 - 10.0-50.3 Violated in 0 structures by 0.00 A. Peak 79 from cnoeabs.peaks (3.15, 3.15, 29.32 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 HIS 7 + HB3 HIS 7 OK 100 100 - 100 HB2 HIS 6 + HB2 HIS 6 OK 94 94 - 100 HB3 HIS 6 + HB3 HIS 6 OK 74 74 - 100 HB2 HIS 8 + HB2 HIS 8 OK 45 45 - 100 Peak 80 from cnoeabs.peaks (8.66, 3.15, 29.32 ppm; 6.30 A): 3 out of 8 assignments used, quality = 1.00: * H HIS 8 + HB3 HIS 7 OK 100 100 100 100 2.0-4.5 4.6=100 H HIS 8 + HB2 HIS 8 OK 61 61 100 100 2.1-4.1 4.0=100 H HIS 8 + HB3 HIS 6 OK 24 81 100 30 5.4-7.7 6036/72=18, 6038/1.8=9, ~87=4 H HIS 8 - HB2 HIS 6 poor 18 94 85 22 5.1-8.2 6038=9, 3.6/58=8, 2.9/87=5 H SER 50 - HB2 HIS 6 far 5 94 5 - 6.7-56.8 H SER 50 - HB3 HIS 6 far 4 81 5 - 7.6-58.3 H SER 50 - HB3 HIS 7 far 0 100 0 - 9.2-54.6 H LYS 39 - HB3 HIS 7 far 0 60 0 - 9.7-53.9 Violated in 0 structures by 0.00 A. Peak 82 from cnoeabs.peaks (4.70, 4.70, 55.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 8 + HA HIS 8 OK 100 100 - 100 HA HIS 10 + HA HIS 10 OK 83 83 - 100 Peak 83 from cnoeabs.peaks (3.13, 4.70, 55.00 ppm; 3.37 A): 2 out of 9 assignments used, quality = 1.00: * HB2 HIS 8 + HA HIS 8 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 HIS 7 + HA HIS 8 OK 23 78 85 34 4.2-5.7 ~6036=18, 1.8/87=9...(8) HB3 HIS 7 - HA HIS 8 poor 9 85 30 35 4.2-6.0 ~6036=18, 87=9, ~11936=3...(8) HB2 HIS 8 - HA HIS 10 far 0 86 0 - 5.7-9.0 HB2 HIS 6 - HA HIS 8 far 0 81 0 - 5.7-9.0 HB2 HIS 7 - HA HIS 10 far 0 61 0 - 8.6-11.8 HB3 HIS 7 - HA HIS 10 far 0 67 0 - 8.6-12.9 HB2 HIS 6 - HA HIS 10 far 0 63 0 - 8.9-15.4 HB2 HIS 4 - HA HIS 8 far 0 63 0 - 9.2-14.9 Violated in 0 structures by 0.00 A. Peak 84 from cnoeabs.peaks (3.21, 4.70, 55.00 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 8 + HA HIS 8 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 HIS 8 - HA HIS 10 far 0 86 0 - 5.3-7.9 HB2 HIS 5 - HA HIS 8 far 0 78 0 - 7.3-12.5 Violated in 0 structures by 0.00 A. Peak 85 from cnoeabs.peaks (8.49, 4.70, 55.00 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + HA HIS 8 OK 100 100 100 100 2.1-2.7 6045=100, 6046/2.9=34...(5) H SER 9 - HA HIS 10 poor 14 86 30 54 4.6-5.5 6051/3.0=30, ~6054=16...(5) Violated in 0 structures by 0.00 A. Peak 86 from cnoeabs.peaks (8.66, 3.13, 29.27 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H HIS 8 + HB2 HIS 8 OK 100 100 100 100 2.1-4.1 4.0=100 H HIS 8 + HB3 HIS 7 OK 61 61 100 100 2.0-4.5 4.6=100 H SER 50 - HB3 HIS 7 far 0 61 0 - 9.2-54.6 H LYS 39 - HB3 HIS 7 far 0 30 0 - 9.7-53.9 Violated in 0 structures by 0.00 A. Peak 87 from cnoeabs.peaks (4.70, 3.13, 29.27 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * HA HIS 8 + HB2 HIS 8 OK 100 100 100 100 2.4-3.0 2.9=100 HA HIS 8 + HB3 HIS 7 OK 23 61 65 57 4.2-6.0 ~6036=34, 83/1.8=17...(8) HA HIS 10 - HB2 HIS 8 far 5 99 5 - 5.7-9.0 HA HIS 10 - HB3 HIS 7 far 0 58 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 88 from cnoeabs.peaks (3.13, 3.13, 29.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 8 + HB2 HIS 8 OK 100 100 - 100 HB3 HIS 7 + HB3 HIS 7 OK 45 45 - 100 Peak 89 from cnoeabs.peaks (3.21, 3.13, 29.27 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB3 HIS 8 + HB2 HIS 8 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 5 - HB3 HIS 7 far 0 41 0 - 4.6-10.0 HB3 HIS 8 - HB3 HIS 7 far 0 61 0 - 5.2-7.6 HB2 HIS 5 - HB2 HIS 8 far 0 78 0 - 8.6-14.1 HB3 HIS 4 - HB3 HIS 7 far 0 41 0 - 8.8-13.6 Violated in 0 structures by 0.00 A. Peak 90 from cnoeabs.peaks (8.49, 3.13, 29.27 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + HB2 HIS 8 OK 100 100 100 100 1.9-4.2 4.6=100 H SER 9 - HB3 HIS 7 poor 18 61 30 - 5.6-8.0 Violated in 0 structures by 0.00 A. Peak 91 from cnoeabs.peaks (8.66, 3.21, 29.27 ppm; 6.07 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 8 + HB3 HIS 8 OK 100 100 100 100 2.6-3.9 4.0=100 H SER 50 - HB3 HIS 8 far 0 100 0 - 9.9-49.2 Violated in 0 structures by 0.00 A. Peak 92 from cnoeabs.peaks (4.70, 3.21, 29.27 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 8 + HB3 HIS 8 OK 100 100 100 100 2.4-3.0 2.9=100 HA HIS 10 - HB3 HIS 8 far 0 99 0 - 5.3-7.9 Violated in 0 structures by 0.00 A. Peak 93 from cnoeabs.peaks (3.13, 3.21, 29.27 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 HIS 8 + HB3 HIS 8 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 7 - HB3 HIS 8 far 0 78 0 - 4.5-7.5 HB3 HIS 7 - HB3 HIS 8 far 0 85 0 - 5.2-7.6 HB2 HIS 6 - HB3 HIS 8 far 0 81 0 - 5.9-11.2 Violated in 0 structures by 0.00 A. Peak 94 from cnoeabs.peaks (3.21, 3.21, 29.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 8 + HB3 HIS 8 OK 100 100 - 100 Peak 95 from cnoeabs.peaks (8.49, 3.21, 29.27 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: * H SER 9 + HB3 HIS 8 OK 100 100 100 100 2.0-3.7 4.6=100 Violated in 0 structures by 0.00 A. Peak 96 from cnoeabs.peaks (8.49, 4.39, 58.30 ppm; 4.52 A): 1 out of 5 assignments used, quality = 1.00: * H SER 9 + HA SER 9 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 100 - HA SER 107 lone 2 95 30 6 4.9-12.3 7396/3.0=3, 7397/10850=1 H LEU 70 - HA SER 107 far 0 68 0 - 6.9-13.5 H LEU 70 - HA SER 33 far 0 75 0 - 6.9-12.7 H GLU 97 - HA SER 107 far 0 88 0 - 7.5-15.8 Violated in 0 structures by 0.00 A. Peak 97 from cnoeabs.peaks (4.39, 4.39, 58.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 9 + HA SER 9 OK 100 100 - 100 HA SER 33 + HA SER 33 OK 100 100 - 100 HA SER 107 + HA SER 107 OK 94 94 - 100 Peak 98 from cnoeabs.peaks (3.80, 4.39, 58.30 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 88 0 - 6.6-15.2 Violated in 0 structures by 0.00 A. Peak 99 from cnoeabs.peaks (3.80, 4.39, 58.30 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 89 0 - 6.6-15.2 Violated in 0 structures by 0.00 A. Peak 100 from cnoeabs.peaks (8.71, 4.39, 58.30 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 10 + HA SER 9 OK 100 100 100 100 2.1-2.9 6054=100, 6051/3.0=30...(6) H HIS 7 - HA SER 9 far 0 89 0 - 6.7-9.4 Violated in 0 structures by 0.00 A. Peak 101 from cnoeabs.peaks (8.49, 3.80, 63.71 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: * H SER 9 + HB2 SER 9 OK 100 100 100 100 2.2-4.1 4.0=100 H SER 9 + HB3 SER 9 OK 100 100 100 100 2.7-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 102 from cnoeabs.peaks (4.39, 3.80, 63.71 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA MET 11 - HB3 SER 9 far 3 60 5 - 4.1-8.9 HA ASP 78 - HB3 SER 9 far 0 97 0 - 5.1-50.0 HA MET 11 - HB2 SER 9 far 0 60 0 - 5.4-9.2 HA ASP 78 - HB2 SER 9 far 0 97 0 - 6.4-49.3 HA HIS 5 - HB2 SER 9 far 0 89 0 - 8.9-16.5 HA HIS 5 - HB3 SER 9 far 0 89 0 - 9.7-16.4 HA CYS 73 - HB3 SER 9 far 0 98 0 - 9.7-46.4 Violated in 0 structures by 0.00 A. Peak 103 from cnoeabs.peaks (3.80, 3.80, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 Peak 104 from cnoeabs.peaks (3.80, 3.80, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 Reference assignment not found: HB3 SER 9 - HB2 SER 9 Peak 105 from cnoeabs.peaks (8.71, 3.80, 63.71 ppm; 5.26 A): 2 out of 4 assignments used, quality = 1.00: * H HIS 10 + HB2 SER 9 OK 100 100 100 100 2.3-4.5 4.5=100 H HIS 10 + HB3 SER 9 OK 100 100 100 100 1.9-4.6 4.5=100 H HIS 7 - HB2 SER 9 far 13 89 15 - 4.6-10.6 H HIS 7 - HB3 SER 9 far 13 89 15 - 6.2-11.2 Violated in 0 structures by 0.00 A. Peak 106 from cnoeabs.peaks (8.49, 3.80, 63.71 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: * H SER 9 + HB3 SER 9 OK 100 100 100 100 2.7-3.9 4.0=100 H SER 9 + HB2 SER 9 OK 100 100 100 100 2.2-4.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 107 from cnoeabs.peaks (4.39, 3.80, 63.71 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: * HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA MET 11 - HB3 SER 9 far 3 60 5 - 4.1-8.9 HA ASP 78 - HB3 SER 9 far 0 97 0 - 5.1-50.0 HA MET 11 - HB2 SER 9 far 0 60 0 - 5.4-9.2 HA ASP 78 - HB2 SER 9 far 0 97 0 - 6.4-49.3 HA HIS 5 - HB2 SER 9 far 0 89 0 - 8.9-16.5 HA HIS 5 - HB3 SER 9 far 0 89 0 - 9.7-16.4 HA CYS 73 - HB3 SER 9 far 0 98 0 - 9.7-46.4 Violated in 0 structures by 0.00 A. Peak 108 from cnoeabs.peaks (3.80, 3.80, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 Reference assignment not found: HB2 SER 9 - HB3 SER 9 Peak 109 from cnoeabs.peaks (3.80, 3.80, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 Peak 110 from cnoeabs.peaks (8.71, 3.80, 63.71 ppm; 5.26 A): 2 out of 4 assignments used, quality = 1.00: * H HIS 10 + HB3 SER 9 OK 100 100 100 100 1.9-4.6 4.5=100 H HIS 10 + HB2 SER 9 OK 100 100 100 100 2.3-4.5 4.5=100 H HIS 7 - HB3 SER 9 far 13 89 15 - 6.2-11.2 H HIS 7 - HB2 SER 9 far 13 89 15 - 4.6-10.6 Violated in 0 structures by 0.00 A. Peak 112 from cnoeabs.peaks (4.69, 4.69, 55.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HA HIS 10 OK 100 100 - 100 HA HIS 8 + HA HIS 8 OK 83 83 - 100 Peak 113 from cnoeabs.peaks (3.17, 4.69, 55.19 ppm; 3.53 A): 1 out of 11 assignments used, quality = 1.00: * HB2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 HIS 7 - HA HIS 8 poor 19 65 30 - 4.2-6.0 HB3 HIS 6 - HA HIS 8 far 0 82 0 - 5.6-9.3 HB2 HIS 6 - HA HIS 8 far 0 69 0 - 5.7-9.0 HB2 HIS 10 - HA HIS 8 far 0 86 0 - 5.9-8.9 HD3 ARG 23 - HA HIS 10 far 0 99 0 - 6.6-23.2 HD2 ARG 23 - HA HIS 10 far 0 99 0 - 7.9-22.4 HD3 ARG 23 - HA HIS 8 far 0 84 0 - 8.0-29.4 HD2 ARG 23 - HA HIS 8 far 0 84 0 - 8.2-28.4 HB3 HIS 7 - HA HIS 10 far 0 83 0 - 8.6-12.9 HB2 HIS 6 - HA HIS 10 far 0 87 0 - 8.9-15.4 Violated in 0 structures by 0.00 A. Peak 114 from cnoeabs.peaks (3.25, 4.69, 55.19 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 HIS 10 - HA HIS 8 far 0 86 0 - 6.4-9.5 HB2 HIS 5 - HA HIS 8 far 0 59 0 - 7.3-12.5 Violated in 0 structures by 0.00 A. Peak 115 from cnoeabs.peaks (8.41, 4.69, 55.19 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * H MET 11 + HA HIS 10 OK 100 100 100 100 2.1-3.4 6063=100, 6065/3.0=43...(6) H ASN 13 - HA HIS 10 far 0 73 0 - 6.9-9.6 H MET 11 - HA HIS 8 far 0 86 0 - 7.4-9.8 Violated in 1 structures by 0.01 A. Peak 116 from cnoeabs.peaks (8.71, 3.17, 28.77 ppm; 4.12 A): 3 out of 6 assignments used, quality = 1.00: * H HIS 10 + HB2 HIS 10 OK 100 100 100 100 2.6-3.5 4.0=100 H HIS 7 + HB3 HIS 6 OK 38 42 100 92 2.1-4.3 4.4=83, 6030/3.0=29...(13) H HIS 7 + HB2 HIS 6 OK 23 26 100 91 2.0-4.4 4.4=83, 6030/3.0=29...(11) H HIS 10 - HB3 HIS 6 far 0 53 0 - 8.7-14.3 H HIS 10 - HB2 HIS 6 far 0 33 0 - 8.9-14.8 H HIS 7 - HB2 HIS 10 far 0 89 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 117 from cnoeabs.peaks (4.69, 3.17, 28.77 ppm; 3.31 A): 1 out of 5 assignments used, quality = 1.00: * HA HIS 10 + HB2 HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HA HIS 8 - HB3 HIS 6 far 0 50 0 - 5.6-9.3 HA HIS 8 - HB2 HIS 6 far 0 31 0 - 5.7-9.0 HA HIS 8 - HB2 HIS 10 far 0 99 0 - 5.9-8.9 HA HIS 10 - HB2 HIS 6 far 0 33 0 - 8.9-15.4 Violated in 0 structures by 0.00 A. Peak 118 from cnoeabs.peaks (3.17, 3.17, 28.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 HB3 HIS 6 + HB3 HIS 6 OK 50 50 - 100 HB2 HIS 6 + HB2 HIS 6 OK 25 25 - 100 Peak 119 from cnoeabs.peaks (3.25, 3.17, 28.77 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 HIS 10 + HB2 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 5 - HB3 HIS 6 far 0 34 0 - 4.4-7.4 HB2 HIS 5 - HB2 HIS 6 far 0 20 0 - 4.6-7.4 HB3 HIS 4 - HB3 HIS 6 far 0 34 0 - 4.9-9.8 HB3 HIS 4 - HB2 HIS 6 far 0 20 0 - 5.4-9.3 HB3 HIS 10 - HB3 HIS 6 far 0 53 0 - 9.4-17.0 HD3 ARG 135 - HB3 HIS 6 far 0 36 0 - 9.9-68.7 Violated in 0 structures by 0.00 A. Peak 120 from cnoeabs.peaks (8.41, 3.17, 28.77 ppm; 5.18 A): 1 out of 5 assignments used, quality = 1.00: * H MET 11 + HB2 HIS 10 OK 100 100 100 100 3.5-4.2 4.7=100 H ASN 13 - HB2 HIS 10 far 4 73 5 - 6.2-10.3 H MET 11 - HB2 HIS 6 far 0 33 0 - 8.4-17.4 H GLN 27 - HB2 HIS 10 far 0 71 0 - 8.5-30.3 H MET 11 - HB3 HIS 6 far 0 53 0 - 9.3-17.1 Violated in 0 structures by 0.00 A. Peak 121 from cnoeabs.peaks (8.71, 3.25, 28.77 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 10 + HB3 HIS 10 OK 100 100 100 100 3.2-3.9 4.0=100 H HIS 7 - HB3 HIS 10 far 0 89 0 - 9.3-13.9 Violated in 0 structures by 0.00 A. Peak 122 from cnoeabs.peaks (4.69, 3.25, 28.77 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HA HIS 8 - HB3 HIS 10 far 0 99 0 - 6.4-9.5 Violated in 0 structures by 0.00 A. Peak 123 from cnoeabs.peaks (3.17, 3.25, 28.77 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 23 - HB3 HIS 10 far 0 99 0 - 4.7-23.1 HD2 ARG 23 - HB3 HIS 10 far 0 99 0 - 6.2-22.3 HB3 HIS 7 - HB3 HIS 10 far 0 83 0 - 9.1-13.4 HB3 HIS 6 - HB3 HIS 10 far 0 98 0 - 9.4-17.0 Violated in 0 structures by 0.00 A. Peak 124 from cnoeabs.peaks (3.25, 3.25, 28.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 Peak 125 from cnoeabs.peaks (8.41, 3.25, 28.77 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * H MET 11 + HB3 HIS 10 OK 100 100 100 100 1.9-4.0 6065=100, 6063/3.0=93...(4) H ASN 13 - HB3 HIS 10 far 4 73 5 - 5.9-9.1 H GLN 27 - HB3 HIS 10 far 0 71 0 - 9.3-30.5 Violated in 0 structures by 0.00 A. Peak 126 from cnoeabs.peaks (8.41, 4.42, 55.13 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * H MET 11 + HA MET 11 OK 100 100 100 100 2.3-2.9 2.9=100 H ASN 13 - HA MET 11 far 7 73 10 - 3.5-6.6 H GLN 27 - HA MET 11 far 0 71 0 - 7.7-28.1 H ALA 34 - HA HIS 5 far 0 51 0 - 8.8-50.6 Violated in 0 structures by 0.00 A. Peak 127 from cnoeabs.peaks (4.42, 4.42, 55.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 HA HIS 5 + HA HIS 5 OK 61 61 - 100 Peak 128 from cnoeabs.peaks (1.92, 4.42, 55.13 ppm; 3.61 A): 1 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PRO 81 - HA HIS 5 far 0 46 0 - 7.8-67.5 HB3 LEU 48 - HA MET 11 far 0 60 0 - 7.9-40.7 HB3 LEU 48 - HA HIS 5 far 0 34 0 - 8.0-57.6 HB2 PRO 58 - HA MET 11 far 0 68 0 - 8.2-47.6 HG LEU 53 - HA HIS 5 far 0 60 0 - 8.9-62.1 HB2 ARG 135 - HA HIS 5 far 0 48 0 - 9.3-70.0 HB3 ARG 84 - HA HIS 5 far 0 51 0 - 9.7-73.3 Violated in 0 structures by 0.00 A. Peak 129 from cnoeabs.peaks (2.02, 4.42, 55.13 ppm; 3.20 A): 2 out of 13 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 100 100 2.4-2.8 3.0=100 QE MET 11 + HA MET 11 OK 66 87 85 89 2.0-5.3 3.3/130=39, 11792/4.0=29...(10) HB VAL 20 - HA MET 11 far 0 81 0 - 5.0-20.2 HG2 PRO 58 - HA MET 11 far 0 100 0 - 5.7-46.6 HB3 GLU 30 - HA HIS 5 far 0 68 0 - 6.0-51.2 HB2 GLN 134 - HA HIS 5 far 0 68 0 - 6.9-68.7 HB3 GLU 30 - HA MET 11 far 0 100 0 - 7.1-34.2 QE MET 11 - HA HIS 5 far 0 53 0 - 7.4-20.3 HB2 GLU 44 - HA HIS 5 far 0 68 0 - 8.0-57.5 HG2 PRO 81 - HA HIS 5 far 0 43 0 - 9.2-66.4 HG3 PRO 81 - HA HIS 5 far 0 34 0 - 9.6-65.7 HB3 GLU 40 - HA HIS 5 far 0 60 0 - 9.7-61.0 HG3 ARG 135 - HA HIS 5 far 0 63 0 - 9.7-69.6 Violated in 0 structures by 0.00 A. Peak 130 from cnoeabs.peaks (2.47, 4.42, 55.13 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 100 100 2.0-3.9 4.0=100 HG3 GLN 82 - HA HIS 5 far 0 54 0 - 5.6-71.1 HG2 GLN 82 - HA HIS 5 far 0 39 0 - 5.8-72.4 HG3 GLN 104 - HA MET 11 far 0 99 0 - 7.8-48.7 Violated in 0 structures by 0.00 A. Peak 131 from cnoeabs.peaks (2.52, 4.42, 55.13 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + HA MET 11 OK 100 100 100 100 2.1-4.2 4.0=100 HB2 ASP 78 - HA MET 11 far 5 97 5 - 5.2-45.7 HG3 GLU 44 - HA HIS 5 far 0 60 0 - 8.4-59.8 HG3 GLU 44 - HA MET 11 far 0 95 0 - 9.7-44.5 Violated in 0 structures by 0.00 A. Peak 132 from cnoeabs.peaks (8.44, 4.42, 55.13 ppm; 2.79 A): 1 out of 4 assignments used, quality = 0.89: * H ALA 12 + HA MET 11 OK 89 100 100 89 2.2-2.7 6074=67, 6075/3.0=28...(7) H ASN 13 - HA MET 11 far 10 99 10 - 3.5-6.6 H ASP 47 - HA HIS 5 far 0 60 0 - 8.7-59.7 H ALA 34 - HA HIS 5 far 0 60 0 - 8.8-50.6 Violated in 0 structures by 0.00 A. Peak 133 from cnoeabs.peaks (8.41, 1.92, 32.84 ppm; 4.17 A): 1 out of 5 assignments used, quality = 1.00: * H MET 11 + HB2 MET 11 OK 100 100 100 100 2.1-3.0 4.0=100 H ASN 13 - HB2 MET 11 far 7 73 10 - 5.4-7.8 H GLN 27 - HB2 MET 11 far 0 71 0 - 8.7-29.1 H ASP 35 - HB2 MET 11 far 0 65 0 - 9.5-35.4 H ALA 34 - HB2 MET 11 far 0 85 0 - 9.9-34.8 Violated in 0 structures by 0.00 A. Peak 134 from cnoeabs.peaks (4.42, 1.92, 32.84 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 9 - HB2 MET 11 far 0 60 0 - 6.1-8.7 HA SER 33 - HB2 MET 11 far 0 68 0 - 9.9-33.2 Violated in 0 structures by 0.00 A. Peak 135 from cnoeabs.peaks (1.92, 1.92, 32.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 136 from cnoeabs.peaks (2.02, 1.92, 32.84 ppm; 2.50 A): 2 out of 5 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 11 + HB2 MET 11 OK 44 87 70 72 2.0-4.3 11791/2.9=26...(8) HB VAL 20 - HB2 MET 11 far 0 81 0 - 5.7-21.3 HB3 GLU 30 - HB2 MET 11 far 0 100 0 - 7.9-35.7 HG2 PRO 58 - HB2 MET 11 far 0 100 0 - 8.0-47.6 Violated in 0 structures by 0.00 A. Peak 137 from cnoeabs.peaks (2.47, 1.92, 32.84 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLN 104 - HB2 MET 11 far 0 99 0 - 9.1-50.1 Violated in 0 structures by 0.00 A. Peak 138 from cnoeabs.peaks (2.52, 1.92, 32.84 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ASP 78 - HB2 MET 11 far 0 97 0 - 6.5-46.3 Violated in 0 structures by 0.00 A. Peak 139 from cnoeabs.peaks (8.44, 1.92, 32.84 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 12 + HB2 MET 11 OK 100 100 100 100 3.4-4.0 6075=100, 132/3.0=87...(9) H ASN 13 - HB2 MET 11 far 10 99 10 - 5.4-7.8 H ALA 34 - HB2 MET 11 far 0 95 0 - 9.9-34.8 Violated in 0 structures by 0.00 A. Peak 140 from cnoeabs.peaks (8.41, 2.02, 32.84 ppm; 4.38 A): 2 out of 5 assignments used, quality = 1.00: * H MET 11 + HB3 MET 11 OK 100 100 100 100 3.4-4.0 4.0=100 H ASN 13 + HB3 MET 11 OK 33 73 70 64 4.6-6.6 10653=38, 4.3/6076=37, 154/2.9=8 H ALA 34 - HB3 MET 11 far 0 85 0 - 9.4-33.6 H GLN 27 - HB3 MET 11 far 0 71 0 - 9.5-27.5 H ASP 35 - HB3 MET 11 far 0 65 0 - 9.5-34.2 Violated in 0 structures by 0.00 A. Peak 141 from cnoeabs.peaks (4.42, 2.02, 32.84 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 100 100 2.4-2.8 3.0=100 HA SER 9 - HB3 MET 11 far 0 60 0 - 7.6-9.5 HA SER 33 - HB3 MET 11 far 0 68 0 - 9.2-31.8 Violated in 0 structures by 0.00 A. Peak 142 from cnoeabs.peaks (1.92, 2.02, 32.84 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 58 - HB3 MET 11 far 0 68 0 - 9.0-47.0 Violated in 0 structures by 0.00 A. Peak 143 from cnoeabs.peaks (2.02, 2.02, 32.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 Peak 144 from cnoeabs.peaks (2.47, 2.02, 32.84 ppm; 6.76 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 GLN 104 - HB3 MET 11 far 0 99 0 - 8.3-48.5 Violated in 0 structures by 0.00 A. Peak 145 from cnoeabs.peaks (2.52, 2.02, 32.84 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 100 100 2.2-2.9 2.9=100 HB2 ASP 78 - HB3 MET 11 far 0 97 0 - 7.6-46.2 Violated in 0 structures by 0.00 A. Peak 146 from cnoeabs.peaks (8.44, 2.02, 32.84 ppm; 4.26 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 12 + HB3 MET 11 OK 100 100 100 100 2.0-3.2 4.4=88, 132/3.0=86...(10) H ASN 13 + HB3 MET 11 OK 39 99 55 71 4.6-6.6 10653=55, 4.3/6076=35 H ALA 34 - HB3 MET 11 far 0 95 0 - 9.4-33.6 Violated in 0 structures by 0.00 A. Peak 148 from cnoeabs.peaks (4.42, 2.47, 31.70 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 100 100 2.0-3.9 4.0=100 HA SER 9 - HG2 MET 11 far 3 60 5 - 5.3-8.8 Violated in 0 structures by 0.00 A. Peak 149 from cnoeabs.peaks (1.92, 2.47, 31.70 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 PRO 58 - HG2 MET 11 far 0 68 0 - 8.0-47.7 HB3 LEU 48 - HG2 MET 11 far 0 60 0 - 9.7-39.0 Violated in 0 structures by 0.00 A. Peak 150 from cnoeabs.peaks (2.02, 2.47, 31.70 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.5-3.0 2.9=100 QE MET 11 + HG2 MET 11 OK 87 87 100 100 2.1-3.4 3.3=100 HB VAL 20 - HG2 MET 11 far 4 81 5 - 4.7-22.4 HG2 PRO 58 - HG2 MET 11 far 0 100 0 - 5.6-46.5 Violated in 0 structures by 0.00 A. Peak 151 from cnoeabs.peaks (2.47, 2.47, 31.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 Peak 152 from cnoeabs.peaks (2.52, 2.47, 31.70 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 78 - HG2 MET 11 far 0 97 0 - 7.2-44.7 Violated in 0 structures by 0.00 A. Peak 154 from cnoeabs.peaks (8.41, 2.52, 31.70 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-4.0 6070=100, 6069/1.8=97...(12) H ASN 13 - HG3 MET 11 poor 18 73 30 81 4.6-8.7 3.7/10647=53...(3) Violated in 0 structures by 0.00 A. Peak 155 from cnoeabs.peaks (4.42, 2.52, 31.70 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 100 100 2.1-4.2 4.0=100 HA SER 9 - HG3 MET 11 far 0 60 0 - 6.8-10.0 Violated in 0 structures by 0.00 A. Peak 156 from cnoeabs.peaks (1.92, 2.52, 31.70 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 PRO 58 - HG3 MET 11 far 0 68 0 - 9.6-48.6 Violated in 0 structures by 0.00 A. Peak 157 from cnoeabs.peaks (2.02, 2.52, 31.70 ppm; 3.66 A): 2 out of 5 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-2.9 2.9=100 QE MET 11 + HG3 MET 11 OK 87 87 100 100 2.2-3.4 3.3=100 HB VAL 20 - HG3 MET 11 far 8 81 10 - 5.0-22.9 HG2 PRO 58 - HG3 MET 11 far 0 100 0 - 7.3-47.3 HB3 GLU 30 - HG3 MET 11 far 0 100 0 - 9.8-35.9 Violated in 0 structures by 0.00 A. Peak 158 from cnoeabs.peaks (2.47, 2.52, 31.70 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 104 - HG3 MET 11 far 0 99 0 - 7.3-50.4 Violated in 0 structures by 0.00 A. Peak 159 from cnoeabs.peaks (2.52, 2.52, 31.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 Peak 161 from cnoeabs.peaks (8.44, 4.28, 52.39 ppm; 3.02 A): 2 out of 16 assignments used, quality = 1.00: * H ALA 12 + HA ALA 12 OK 100 100 100 100 2.3-2.9 3.0=100 H ASN 13 + HA ALA 12 OK 98 99 100 99 2.1-2.8 6084=98, 6085/2.1=54...(4) H ASN 116 - HA ALA 109 far 5 95 5 - 4.2-13.4 H ALA 12 - HA ALA 16 far 4 85 5 - 1.9-14.4 H ASN 116 - HA ALA 110 far 0 75 0 - 5.0-13.9 H ASN 13 - HA ALA 15 far 0 96 0 - 5.1-8.2 H ASN 13 - HA ALA 16 far 0 82 0 - 5.2-12.3 H ALA 12 - HA ALA 15 far 0 99 0 - 5.8-11.9 H ALA 12 - HA ALA 21 far 0 99 0 - 6.2-21.2 H ASN 13 - HA ALA 21 far 0 97 0 - 7.2-17.4 H ALA 34 - HA ALA 16 far 0 76 0 - 7.3-30.4 H ASN 116 - HA ALA 108 far 0 59 0 - 7.4-15.4 H LEU 70 - HA ALA 108 far 0 41 0 - 8.6-17.9 H ASN 116 - HA ALA 21 far 0 99 0 - 8.6-41.2 H ALA 34 - HA ALA 15 far 0 91 0 - 8.9-31.4 H ALA 34 - HA ALA 21 far 0 92 0 - 9.7-26.9 Violated in 0 structures by 0.00 A. Peak 162 from cnoeabs.peaks (4.28, 4.28, 52.39 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 12 + HA ALA 12 OK 100 100 - 100 HA ALA 15 + HA ALA 15 OK 99 99 - 100 HA ALA 21 + HA ALA 21 OK 98 98 - 100 HA ALA 109 + HA ALA 109 OK 92 92 - 100 HA ALA 16 + HA ALA 16 OK 81 81 - 100 HA ALA 110 + HA ALA 110 OK 75 75 - 100 HA ALA 108 + HA ALA 108 OK 56 56 - 100 Peak 163 from cnoeabs.peaks (1.36, 4.28, 52.39 ppm; 2.50 A): 6 out of 76 assignments used, quality = 1.00: * QB ALA 12 + HA ALA 12 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 21 + HA ALA 21 OK 84 84 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 72 72 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 53 53 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 50 50 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 35 35 100 100 2.1-2.1 2.1=100 QB ALA 109 - HA ALA 108 poor 14 29 50 - 3.7-4.9 QB ALA 12 - HA ALA 16 far 13 85 15 - 2.9-10.8 QB ALA 15 - HA ALA 16 poor 12 58 55 39 3.7-4.3 3.7/6125=13, ~6122=7...(8) QB ALA 110 - HA ALA 109 poor 10 68 35 43 3.8-5.0 2.9/7572=15, ~7571=5...(16) QB ALA 12 - HA ALA 15 far 10 99 10 - 3.5-8.6 HG2 LYS 19 - HA ALA 15 far 10 98 10 - 2.8-13.4 HG2 LYS 24 - HA ALA 21 far 8 80 10 - 2.3-10.7 QB ALA 109 - HA ALA 110 poor 8 38 20 - 3.6-4.6 QB ALA 108 - HA ALA 109 poor 6 63 45 21 3.6-4.9 7564/3.0=8, 2.9/7558=4...(6) QB ALA 12 - HA ALA 21 far 5 99 5 - 3.5-16.2 QB ALA 21 - HA ALA 109 far 4 79 5 - 2.9-40.6 QB ALA 108 - HA ALA 21 far 3 68 5 - 3.3-36.5 QB ALA 21 - HA ALA 110 far 3 59 5 - 3.0-41.9 QB ALA 110 - HA ALA 16 far 3 58 5 - 3.9-45.0 QB ALA 108 - HA ALA 110 far 2 46 5 - 3.8-7.1 QB ALA 21 - HA ALA 108 far 2 45 5 - 3.4-38.8 QB ALA 28 - HA ALA 21 far 0 70 0 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 76 0 - 4.2-9.3 QB ALA 28 - HA ALA 108 far 0 36 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 78 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 84 0 - 4.7-10.8 QB ALA 21 - HA ALA 16 far 0 68 0 - 4.9-12.4 QB ALA 110 - HA ALA 108 far 0 38 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 57 0 - 5.2-38.2 QB ALA 21 - HA ALA 15 far 0 83 0 - 5.4-13.1 HG2 LYS 19 - HA ALA 12 far 0 100 0 - 5.5-18.1 QB ALA 21 - HA ALA 12 far 0 87 0 - 5.6-17.0 QB ALA 29 - HA ALA 108 far 0 41 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 73 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 42 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 70 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 42 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 70 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 45 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 79 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 56 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 62 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 73 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 74 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 50 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 66 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 75 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 98 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 72 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 78 0 - 7.1-16.4 QB ALA 15 - HA ALA 21 far 0 73 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 77 0 - 7.4-22.4 HG3 LYS 26 - HA ALA 108 far 0 39 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 57 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 75 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 51 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 48 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 75 0 - 7.8-15.9 HG2 LYS 19 - HA ALA 109 far 0 94 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 77 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 64 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 83 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 68 0 - 8.0-45.2 QB ALA 29 - HA ALA 109 far 0 73 0 - 8.6-23.4 QB ALA 15 - HA ALA 108 far 0 38 0 - 8.7-42.9 QB ALA 108 - HA ALA 16 far 0 53 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 53 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 75 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 58 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 82 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 33 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 55 0 - 9.8-43.7 QB ALA 46 - HA ALA 21 far 0 84 0 - 9.9-25.8 QB ALA 108 - HA ALA 15 far 0 67 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 60 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 164 from cnoeabs.peaks (8.44, 4.28, 52.39 ppm; 3.02 A): 2 out of 19 assignments used, quality = 1.00: * H ASN 13 + HA ALA 12 OK 100 100 100 100 2.1-2.8 6084=100, 6085/2.1=56...(4) H ALA 12 + HA ALA 12 OK 99 99 100 100 2.3-2.9 3.0=100 H ASN 116 - HA ALA 109 far 5 91 5 - 4.2-13.4 H ALA 12 - HA ALA 16 far 4 82 5 - 1.9-14.4 H ASN 116 - HA ALA 110 far 0 70 0 - 5.0-13.9 H ASN 13 - HA ALA 15 far 0 99 0 - 5.1-8.2 H MET 11 - HA ALA 12 far 0 73 0 - 5.2-6.5 H ASN 13 - HA ALA 16 far 0 85 0 - 5.2-12.3 H MET 11 - HA ALA 16 far 0 56 0 - 5.3-17.0 H ALA 12 - HA ALA 15 far 0 96 0 - 5.8-11.9 H ALA 12 - HA ALA 21 far 0 97 0 - 6.2-21.2 H ASN 13 - HA ALA 21 far 0 99 0 - 7.2-17.4 H ALA 34 - HA ALA 16 far 0 84 0 - 7.3-30.4 H ASN 116 - HA ALA 108 far 0 55 0 - 7.4-15.4 H LEU 70 - HA ALA 108 far 0 29 0 - 8.6-17.9 H ASN 116 - HA ALA 21 far 0 95 0 - 8.6-41.2 H ALA 34 - HA ALA 15 far 0 98 0 - 8.9-31.4 H MET 11 - HA ALA 15 far 0 70 0 - 9.2-14.5 H ALA 34 - HA ALA 21 far 0 98 0 - 9.7-26.9 Violated in 0 structures by 0.00 A. Peak 165 from cnoeabs.peaks (8.44, 1.36, 18.84 ppm; 3.26 A): 2 out of 10 assignments used, quality = 1.00: * H ALA 12 + QB ALA 12 OK 100 100 100 100 2.0-2.9 2.9=100 H ASN 13 + QB ALA 12 OK 99 99 100 100 2.0-3.7 6085=98, 6084/2.1=77...(9) H ASN 13 - QB ALA 21 far 0 57 0 - 5.0-15.9 H ALA 12 - QB ALA 21 far 0 60 0 - 5.6-19.3 H ASN 116 - QB ALA 21 far 0 60 0 - 6.5-35.4 H ASP 47 - QB ALA 21 far 0 52 0 - 8.4-28.2 H ALA 34 - QB ALA 12 far 0 95 0 - 8.5-26.3 H ALA 34 - QB ALA 21 far 0 52 0 - 9.0-24.1 H LEU 70 - QB ALA 21 far 0 42 0 - 9.2-25.2 H ASP 47 - QB ALA 12 far 0 95 0 - 9.2-31.7 Violated in 0 structures by 0.00 A. Peak 166 from cnoeabs.peaks (4.28, 1.36, 18.84 ppm; 2.50 A): 2 out of 32 assignments used, quality = 1.00: * HA ALA 12 + QB ALA 12 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 21 + QB ALA 21 OK 59 59 100 100 2.1-2.1 2.1=100 HA ALA 16 - QB ALA 12 far 15 98 15 - 2.9-10.8 HA LEU 22 - QB ALA 21 poor 12 47 25 - 3.8-4.6 HA ALA 15 - QB ALA 12 far 10 100 10 - 3.5-8.6 HA LYS 19 - QB ALA 21 poor 9 46 20 - 3.4-6.4 HA ALA 21 - QB ALA 12 far 5 100 5 - 3.5-16.2 HA THR 18 - QB ALA 12 far 5 99 5 - 3.6-12.4 HA LYS 19 - QB ALA 12 far 4 87 5 - 3.4-15.1 HA THR 18 - QB ALA 21 lone 4 58 40 17 2.2-8.0 10686=6, 3.0/10683=4...(5) HA ALA 110 - QB ALA 21 far 3 60 5 - 3.0-41.9 HA GLN 61 - QB ALA 21 far 3 59 5 - 3.6-25.2 HA ALA 109 - QB ALA 21 far 3 57 5 - 2.9-40.6 HA ALA 108 - QB ALA 21 far 3 57 5 - 3.4-38.8 HA LYS 31 - QB ALA 12 far 0 99 0 - 4.3-22.8 HA LYS 36 - QB ALA 21 far 0 55 0 - 4.3-27.9 HA GLN 61 - QB ALA 12 far 0 100 0 - 4.7-31.1 HA ARG 23 - QB ALA 21 far 0 60 0 - 4.8-7.4 HA ALA 16 - QB ALA 21 far 0 56 0 - 4.9-12.4 HA THR 25 - QB ALA 12 far 0 99 0 - 5.1-18.5 HA TYR 76 - QB ALA 12 far 0 65 0 - 5.1-32.7 HA ALA 15 - QB ALA 21 far 0 60 0 - 5.4-13.1 HA THR 25 - QB ALA 21 far 0 58 0 - 5.5-11.6 HA ALA 12 - QB ALA 21 far 0 60 0 - 5.6-17.0 HA LYS 31 - QB ALA 21 far 0 57 0 - 6.9-19.5 HA LEU 22 - QB ALA 12 far 0 89 0 - 6.9-15.0 HA LYS 26 - QB ALA 12 far 0 90 0 - 7.0-18.9 HB THR 115 - QB ALA 21 far 0 54 0 - 7.5-38.4 HA LYS 26 - QB ALA 21 far 0 49 0 - 8.0-12.1 HA ARG 23 - QB ALA 12 far 0 100 0 - 8.0-14.5 HA LYS 36 - QB ALA 12 far 0 97 0 - 9.0-27.7 HA ALA 110 - QB ALA 12 far 0 100 0 - 9.1-47.9 Violated in 0 structures by 0.00 A. Peak 167 from cnoeabs.peaks (1.36, 1.36, 18.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 12 + QB ALA 12 OK 100 100 - 100 QB ALA 21 + QB ALA 21 OK 46 46 - 100 Peak 168 from cnoeabs.peaks (8.44, 1.36, 18.84 ppm; 3.26 A): 2 out of 12 assignments used, quality = 1.00: * H ASN 13 + QB ALA 12 OK 100 100 100 100 2.0-3.7 6085=100, 6084/2.1=79...(9) H ALA 12 + QB ALA 12 OK 99 99 100 100 2.0-2.9 2.9=100 H MET 11 - QB ALA 12 poor 15 73 20 - 4.4-6.0 H ASN 13 - QB ALA 21 far 0 60 0 - 5.0-15.9 H ALA 12 - QB ALA 21 far 0 57 0 - 5.6-19.3 H ASN 116 - QB ALA 21 far 0 55 0 - 6.5-35.4 H MET 11 - QB ALA 21 far 0 37 0 - 7.5-20.5 H ASP 47 - QB ALA 21 far 0 42 0 - 8.4-28.2 H ALA 34 - QB ALA 12 far 0 100 0 - 8.5-26.3 H ALA 34 - QB ALA 21 far 0 59 0 - 9.0-24.1 H LEU 70 - QB ALA 21 far 0 29 0 - 9.2-25.2 H ASP 47 - QB ALA 12 far 0 81 0 - 9.2-31.7 Violated in 0 structures by 0.00 A. Peak 169 from cnoeabs.peaks (8.44, 4.66, 53.15 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 13 + HA ASN 13 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 12 + HA ASN 13 OK 76 99 80 96 4.6-6.3 6080/5.0=44, ~6084=32...(13) H MET 11 - HA ASN 13 far 0 73 0 - 6.8-9.1 H ALA 34 - HA ASN 13 far 0 100 0 - 7.6-35.0 Violated in 0 structures by 0.00 A. Peak 170 from cnoeabs.peaks (4.66, 4.66, 53.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 13 + HA ASN 13 OK 100 100 - 100 Peak 171 from cnoeabs.peaks (2.81, 4.66, 53.15 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 13 + HA ASN 13 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ASP 64 - HA ASN 13 far 0 96 0 - 9.6-34.2 Violated in 0 structures by 0.00 A. Peak 172 from cnoeabs.peaks (2.77, 4.66, 53.15 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 13 + HA ASN 13 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 ASP 35 - HA ASN 13 far 0 81 0 - 8.9-37.6 HB2 ASP 64 - HA ASN 13 far 0 83 0 - 9.6-35.7 Violated in 0 structures by 0.00 A. Peak 175 from cnoeabs.peaks (8.37, 4.66, 53.15 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * H GLY 14 + HA ASN 13 OK 100 100 100 100 2.2-3.6 6106=100, 6107/3.0=36...(6) H LYS 19 - HA ASN 13 far 9 89 10 - 4.8-15.9 H LYS 24 - HA ASN 13 far 0 100 0 - 8.1-21.7 H ASP 35 - HA ASN 13 far 0 83 0 - 8.7-36.0 Violated in 4 structures by 0.03 A. Peak 176 from cnoeabs.peaks (8.44, 2.81, 38.79 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 13 + HB2 ASN 13 OK 100 100 100 100 3.4-4.0 6087=100, 6088/1.8=83...(4) H ALA 34 - HB2 ASN 13 far 0 100 0 - 5.4-37.2 H ALA 12 - HB2 ASN 13 far 0 99 0 - 5.9-7.7 H MET 11 - HB2 ASN 13 far 0 73 0 - 7.2-11.2 Violated in 2 structures by 0.01 A. Peak 177 from cnoeabs.peaks (4.66, 2.81, 38.79 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 13 + HB2 ASN 13 OK 100 100 100 100 2.2-3.0 3.0=100 HA PRO 56 - HB2 ASN 13 far 0 99 0 - 8.9-41.5 Violated in 0 structures by 0.00 A. Peak 178 from cnoeabs.peaks (2.81, 2.81, 38.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + HB2 ASN 13 OK 100 100 - 100 Peak 179 from cnoeabs.peaks (2.77, 2.81, 38.79 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 13 + HB2 ASN 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 35 - HB2 ASN 13 far 0 81 0 - 6.1-38.2 Violated in 0 structures by 0.00 A. Peak 180 from cnoeabs.peaks (7.60, 2.81, 38.79 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HB2 ASN 13 OK 100 100 100 100 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 181 from cnoeabs.peaks (6.90, 2.81, 38.79 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 13 + HB2 ASN 13 OK 100 100 100 100 3.5-4.1 3.5=100 HE21 GLN 61 - HB2 ASN 13 far 0 76 0 - 9.4-36.3 Violated in 0 structures by 0.00 A. Peak 182 from cnoeabs.peaks (8.37, 2.81, 38.79 ppm; 5.16 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 14 + HB2 ASN 13 OK 100 100 100 100 2.4-4.5 4.5=100 H LYS 19 - HB2 ASN 13 far 13 89 15 - 5.3-17.6 H LYS 24 - HB2 ASN 13 far 5 100 5 - 6.3-23.7 H ASP 35 - HB2 ASN 13 far 4 83 5 - 6.1-37.7 H LYS 26 - HB2 ASN 13 far 0 100 0 - 8.8-30.1 Violated in 0 structures by 0.00 A. Peak 183 from cnoeabs.peaks (8.44, 2.77, 38.79 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.2-3.5 6088=100, 6087/1.8=85...(4) H ALA 12 + HB3 ASN 13 OK 26 99 30 89 4.4-7.6 4.3/6088=50...(6) H MET 11 - HB3 ASN 13 far 4 73 5 - 5.4-10.4 H ALA 34 - HB3 ASN 13 far 0 100 0 - 6.3-37.5 Violated in 0 structures by 0.00 A. Peak 184 from cnoeabs.peaks (4.66, 2.77, 38.79 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.3-2.9 3.0=100 HA PRO 56 - HB3 ASN 13 far 0 99 0 - 9.9-42.2 Violated in 0 structures by 0.00 A. Peak 185 from cnoeabs.peaks (2.81, 2.77, 38.79 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 13 + HB3 ASN 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 64 - HB3 ASN 13 far 0 96 0 - 9.2-33.4 Violated in 0 structures by 0.00 A. Peak 186 from cnoeabs.peaks (2.77, 2.77, 38.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + HB3 ASN 13 OK 100 100 - 100 Peak 187 from cnoeabs.peaks (7.60, 2.77, 38.79 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.2-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 188 from cnoeabs.peaks (6.90, 2.77, 38.79 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 13 + HB3 ASN 13 OK 100 100 100 100 3.5-4.1 3.5=100 HE21 GLN 61 - HB3 ASN 13 far 0 76 0 - 9.9-37.6 Violated in 0 structures by 0.00 A. Peak 189 from cnoeabs.peaks (8.37, 2.77, 38.79 ppm; 5.60 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 14 + HB3 ASN 13 OK 100 100 100 100 2.1-4.6 4.5=100 H LYS 19 - HB3 ASN 13 poor 18 89 20 - 5.4-18.0 H LYS 24 - HB3 ASN 13 far 10 100 10 - 6.1-23.7 H ASP 35 - HB3 ASN 13 far 0 83 0 - 7.3-38.1 H LYS 26 - HB3 ASN 13 far 0 100 0 - 8.4-30.1 Violated in 0 structures by 0.00 A. Peak 190 from cnoeabs.peaks (8.37, 3.92, 45.20 ppm; 3.46 A): 2 out of 14 assignments used, quality = 1.00: * H GLY 14 + HA2 GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 14 + HA3 GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 H LYS 19 - HA2 GLY 14 far 9 89 10 - 3.3-13.6 H LYS 19 - HA3 GLY 14 far 9 89 10 - 3.2-14.0 H LYS 19 - HA2 GLY 111 far 0 66 0 - 7.5-48.4 H THR 65 - HA2 GLY 111 far 0 71 0 - 7.5-19.7 H LYS 24 - HA2 GLY 14 far 0 100 0 - 8.0-22.0 H GLY 14 - HA2 GLY 111 far 0 82 0 - 8.5-50.0 H LYS 26 - HA2 GLY 111 far 0 81 0 - 8.6-31.9 H LYS 24 - HA3 GLY 14 far 0 100 0 - 8.7-22.1 H ASP 35 - HA2 GLY 14 far 0 83 0 - 8.9-34.6 H THR 65 - HA2 GLY 14 far 0 93 0 - 9.0-32.6 H ASP 35 - HA3 GLY 14 far 0 83 0 - 9.1-35.5 H GLN 27 - HA2 GLY 111 far 0 57 0 - 9.3-31.1 Violated in 0 structures by 0.00 A. Peak 191 from cnoeabs.peaks (3.92, 3.92, 45.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 111 + HA2 GLY 111 OK 73 73 - 100 Peak 192 from cnoeabs.peaks (3.92, 3.92, 45.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 111 + HA2 GLY 111 OK 74 74 - 100 Reference assignment not found: HA3 GLY 14 - HA2 GLY 14 Peak 193 from cnoeabs.peaks (8.14, 3.92, 45.20 ppm; 3.61 A): 2 out of 9 assignments used, quality = 1.00: * H ALA 15 + HA2 GLY 14 OK 100 100 100 100 2.1-3.6 3.6=100 H ALA 15 + HA3 GLY 14 OK 100 100 100 100 2.2-3.6 3.6=100 H ILE 32 - HA2 GLY 14 far 5 100 5 - 4.9-27.0 H ALA 15 - HA2 GLY 111 far 0 82 0 - 6.3-49.8 H ILE 32 - HA3 GLY 14 far 0 100 0 - 6.5-27.1 H LEU 22 - HA3 GLY 14 far 0 99 0 - 7.0-18.1 H LEU 22 - HA2 GLY 14 far 0 99 0 - 7.5-18.4 H ASN 121 - HA2 GLY 111 far 0 59 0 - 8.0-19.2 H LEU 22 - HA2 GLY 111 far 0 80 0 - 9.5-42.2 Violated in 0 structures by 0.00 A. Peak 194 from cnoeabs.peaks (8.37, 3.92, 45.20 ppm; 3.46 A): 2 out of 14 assignments used, quality = 1.00: * H GLY 14 + HA3 GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 14 + HA2 GLY 14 OK 100 100 100 100 2.3-3.0 3.0=100 H LYS 19 - HA3 GLY 14 far 9 89 10 - 3.2-14.0 H LYS 19 - HA2 GLY 14 far 9 89 10 - 3.3-13.6 H LYS 19 - HA2 GLY 111 far 0 69 0 - 7.5-48.4 H THR 65 - HA2 GLY 111 far 0 74 0 - 7.5-19.7 H LYS 24 - HA2 GLY 14 far 0 100 0 - 8.0-22.0 H GLY 14 - HA2 GLY 111 far 0 85 0 - 8.5-50.0 H LYS 26 - HA2 GLY 111 far 0 84 0 - 8.6-31.9 H LYS 24 - HA3 GLY 14 far 0 100 0 - 8.7-22.1 H ASP 35 - HA2 GLY 14 far 0 83 0 - 8.9-34.6 H THR 65 - HA2 GLY 14 far 0 93 0 - 9.0-32.6 H ASP 35 - HA3 GLY 14 far 0 83 0 - 9.1-35.5 H GLN 27 - HA2 GLY 111 far 0 60 0 - 9.3-31.1 Violated in 0 structures by 0.00 A. Peak 195 from cnoeabs.peaks (3.92, 3.92, 45.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA2 GLY 111 + HA2 GLY 111 OK 76 76 - 100 Reference assignment not found: HA2 GLY 14 - HA3 GLY 14 Peak 196 from cnoeabs.peaks (3.92, 3.92, 45.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA2 GLY 111 + HA2 GLY 111 OK 77 77 - 100 Peak 197 from cnoeabs.peaks (8.14, 3.92, 45.20 ppm; 3.61 A): 2 out of 9 assignments used, quality = 1.00: * H ALA 15 + HA3 GLY 14 OK 100 100 100 100 2.2-3.6 3.6=100 H ALA 15 + HA2 GLY 14 OK 100 100 100 100 2.1-3.6 3.6=100 H ILE 32 - HA2 GLY 14 far 5 100 5 - 4.9-27.0 H ALA 15 - HA2 GLY 111 far 0 85 0 - 6.3-49.8 H ILE 32 - HA3 GLY 14 far 0 100 0 - 6.5-27.1 H LEU 22 - HA3 GLY 14 far 0 99 0 - 7.0-18.1 H LEU 22 - HA2 GLY 14 far 0 99 0 - 7.5-18.4 H ASN 121 - HA2 GLY 111 far 0 62 0 - 8.0-19.2 H LEU 22 - HA2 GLY 111 far 0 83 0 - 9.5-42.2 Violated in 0 structures by 0.00 A. Peak 198 from cnoeabs.peaks (8.14, 4.28, 52.50 ppm; 3.02 A): 2 out of 19 assignments used, quality = 1.00: * H ALA 15 + HA ALA 15 OK 100 100 100 100 2.3-2.9 3.0=100 H LEU 22 + HA ALA 21 OK 88 96 100 92 2.1-3.5 3.6=60, 6186/2.1=60...(9) H LEU 22 - HA ALA 108 far 4 76 5 - 4.3-43.7 H ALA 15 - HA ALA 16 far 0 93 0 - 4.7-6.3 H ALA 15 - HA ALA 12 far 0 99 0 - 4.8-9.0 H ILE 32 - HA ALA 15 far 0 100 0 - 6.4-25.1 H LEU 22 - HA ALA 110 far 0 90 0 - 6.6-47.1 H LEU 22 - HA ALA 15 far 0 99 0 - 6.7-15.4 H ALA 15 - HA ALA 21 far 0 97 0 - 7.1-15.2 H LEU 22 - HA ALA 109 far 0 88 0 - 7.1-45.8 H LEU 22 - HA ALA 16 far 0 91 0 - 7.3-14.2 H LEU 22 - HA ALA 12 far 0 97 0 - 7.3-17.4 H ASN 121 - HA ALA 110 far 0 68 0 - 7.6-19.9 H ILE 32 - HA ALA 16 far 0 93 0 - 7.8-26.0 H ASP 71 - HA ALA 108 far 0 77 0 - 8.3-18.9 H ILE 32 - HA ALA 12 far 0 98 0 - 9.0-27.2 H ILE 32 - HA ALA 108 far 0 78 0 - 9.1-28.7 H ILE 32 - HA ALA 21 far 0 97 0 - 9.7-20.2 H ASN 121 - HA ALA 109 far 0 67 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 199 from cnoeabs.peaks (4.28, 4.28, 52.50 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 15 + HA ALA 15 OK 100 100 - 100 HA ALA 12 + HA ALA 12 OK 99 99 - 100 HA ALA 21 + HA ALA 21 OK 96 96 - 100 HA ALA 110 + HA ALA 110 OK 92 92 - 100 HA ALA 16 + HA ALA 16 OK 89 89 - 100 HA ALA 109 + HA ALA 109 OK 87 87 - 100 HA ALA 108 + HA ALA 108 OK 75 75 - 100 Peak 200 from cnoeabs.peaks (1.38, 4.28, 52.50 ppm; 2.77 A): 11 out of 80 assignments used, quality = 1.00: * QB ALA 15 + HA ALA 15 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 92 92 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 88 88 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 78 78 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 72 72 100 100 2.1-2.1 2.1=100 QB ALA 16 + HA ALA 16 OK 67 67 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 47 93 95 54 3.7-4.3 6124/3.0=21, ~6122=10...(10) QB ALA 109 + HA ALA 110 OK 37 90 70 59 3.6-4.6 3.7/7572=18, 7578/3.6=8...(19) QB ALA 110 + HA ALA 109 OK 28 90 55 57 3.8-5.0 2.9/7572=19, ~7571=7...(21) QB ALA 16 + HA ALA 15 OK 25 78 60 53 4.0-5.0 2.9/6125=18, ~6122=10...(16) QB ALA 108 + HA ALA 109 OK 23 90 80 32 3.6-4.9 7564/3.0=14, 2.9/7558=4...(9) QB ALA 109 - HA ALA 108 poor 19 76 70 35 3.7-4.9 ~7564=6, ~7566=6...(10) QB ALA 108 - HA ALA 110 far 14 91 15 - 3.8-7.1 QB ALA 12 - HA ALA 15 far 11 76 15 - 3.5-8.6 QB ALA 16 - HA ALA 12 far 11 75 15 - 2.2-11.1 QB ALA 12 - HA ALA 16 far 10 65 15 - 2.9-10.8 HG2 LYS 24 - HA ALA 21 far 10 97 10 - 2.3-10.7 HG2 LYS 19 - HA ALA 15 far 9 87 10 - 2.8-13.4 QB ALA 15 - HA ALA 12 far 5 99 5 - 4.2-9.3 QB ALA 108 - HA ALA 21 far 5 97 5 - 3.3-36.5 QB ALA 28 - HA ALA 21 far 5 97 5 - 4.1-16.3 QB ALA 110 - HA ALA 16 far 5 93 5 - 3.9-45.0 QB ALA 12 - HA ALA 21 far 4 70 5 - 3.5-16.2 QB ALA 16 - HA ALA 110 far 3 66 5 - 3.4-42.4 QB ALA 16 - HA ALA 21 far 0 73 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 78 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 97 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 76 0 - 4.7-10.8 HG3 LYS 31 - HA ALA 15 far 0 99 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 78 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 96 0 - 5.2-38.2 HG2 LYS 19 - HA ALA 12 far 0 83 0 - 5.5-18.1 QB ALA 29 - HA ALA 108 far 0 78 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 99 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 78 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 90 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 78 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 100 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 91 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 100 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 93 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 93 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 97 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 74 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 92 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 90 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 89 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 81 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 100 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 97 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 96 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 97 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 100 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 65 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 78 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 99 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 100 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 92 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 92 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 97 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 75 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 73 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 100 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 92 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 98 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 90 0 - 8.0-45.2 HG3 LYS 31 - HA ALA 21 far 0 95 0 - 8.3-20.2 QB ALA 29 - HA ALA 109 far 0 90 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 54 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 78 0 - 8.7-42.9 QB ALA 108 - HA ALA 16 far 0 93 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 91 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 64 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 61 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 97 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 78 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 91 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 100 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 93 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 201 from cnoeabs.peaks (8.03, 4.28, 52.50 ppm; 3.82 A): 2 out of 17 assignments used, quality = 1.00: * H ALA 16 + HA ALA 15 OK 100 100 100 100 2.1-3.6 3.6=100 H ALA 16 + HA ALA 16 OK 93 93 100 100 2.3-2.9 3.0=100 H ALA 16 - HA ALA 12 far 15 99 15 - 4.3-12.5 H ALA 16 - HA ALA 21 far 0 97 0 - 5.6-14.3 H VAL 57 - HA ALA 15 far 0 73 0 - 5.8-44.5 H ALA 52 - HA ALA 16 far 0 93 0 - 6.2-37.3 H VAL 57 - HA ALA 16 far 0 63 0 - 6.7-42.0 H ALA 16 - HA ALA 110 far 0 92 0 - 6.9-52.9 H ALA 52 - HA ALA 21 far 0 97 0 - 7.3-30.8 H VAL 57 - HA ALA 110 far 0 62 0 - 7.9-20.2 H CYS 79 - HA ALA 12 far 0 91 0 - 8.0-44.2 H VAL 57 - HA ALA 109 far 0 60 0 - 8.4-17.9 H ALA 16 - HA ALA 109 far 0 90 0 - 9.0-51.4 H ALA 52 - HA ALA 15 far 0 100 0 - 9.2-36.2 H LEU 48 - HA ALA 21 far 0 87 0 - 9.3-31.3 H CYS 79 - HA ALA 16 far 0 84 0 - 9.5-43.3 H TYR 76 - HA ALA 12 far 0 91 0 - 9.7-39.8 Violated in 0 structures by 0.00 A. Peak 202 from cnoeabs.peaks (8.14, 1.38, 19.12 ppm; 3.63 A): 2 out of 25 assignments used, quality = 1.00: * H ALA 15 + QB ALA 15 OK 100 100 100 100 2.0-3.0 2.9=100 H ILE 32 + QB ALA 29 OK 91 100 95 96 3.5-5.2 895/10790=49...(14) H ILE 32 - QB ALA 28 poor 20 100 20 - 4.4-7.2 H ASP 71 - QB ALA 29 far 10 99 10 - 4.5-12.1 H LEU 22 - QB ALA 28 far 10 99 10 - 3.8-15.6 H ILE 32 - QB ALA 15 far 5 100 5 - 4.3-21.5 H LEU 22 - QB ALA 108 far 5 99 5 - 4.6-35.5 H ASN 121 - QB ALA 110 far 4 80 5 - 4.5-17.5 H LEU 22 - QB ALA 109 far 0 78 0 - 5.5-36.9 H LEU 22 - QB ALA 110 far 0 99 0 - 6.0-39.7 H LEU 22 - QB ALA 15 far 0 99 0 - 6.0-12.7 H ALA 15 - QB ALA 28 far 0 100 0 - 6.3-22.0 H ASN 121 - QB ALA 108 far 0 80 0 - 6.4-16.6 H ASP 71 - QB ALA 108 far 0 99 0 - 6.9-15.3 H ASN 121 - QB ALA 109 far 0 57 0 - 7.8-15.9 H LEU 22 - QB ALA 29 far 0 99 0 - 8.0-15.1 H ALA 15 - QB ALA 29 far 0 100 0 - 8.1-23.5 H ALA 15 - QB ALA 110 far 0 100 0 - 8.7-46.1 H ILE 32 - QB ALA 108 far 0 100 0 - 8.8-23.2 H ALA 15 - QB ALA 109 far 0 80 0 - 9.1-42.9 H ASP 71 - QB ALA 28 far 0 99 0 - 9.3-16.7 H ASP 71 - QB ALA 109 far 0 78 0 - 9.4-18.1 H GLU 91 - QB ALA 28 far 0 88 0 - 9.5-24.8 H ASP 71 - QB ALA 15 far 0 100 0 - 9.5-31.6 H ILE 32 - QB ALA 109 far 0 79 0 - 9.6-24.6 Violated in 0 structures by 0.00 A. Peak 203 from cnoeabs.peaks (4.28, 1.38, 19.12 ppm; 2.69 A): 7 out of 95 assignments used, quality = 1.00: * HA ALA 15 + QB ALA 15 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 110 + QB ALA 110 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 108 + QB ALA 108 OK 98 98 100 100 2.1-2.1 2.1=100 HA ALA 109 + QB ALA 109 OK 76 76 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 15 OK 39 98 80 50 3.7-4.3 3.0/6124=19, ~6122=9...(11) HA ALA 110 + QB ALA 109 OK 29 80 65 55 3.6-4.6 3.0/7573=17, 3.6/7578=8...(16) HA ALA 109 + QB ALA 110 OK 26 98 50 53 3.8-5.0 7572/2.9=18, ~7571=6...(18) HA ALA 109 - QB ALA 108 poor 20 98 70 29 3.6-4.9 3.0/7564=13, 7558/2.9=4...(6) HA THR 25 - QB ALA 28 poor 20 99 20 - 3.4-8.5 HA ALA 108 - QB ALA 109 poor 17 76 70 32 3.7-4.9 ~7564=6, ~7566=6...(10) HA ARG 23 - QB ALA 28 far 15 100 15 - 1.8-12.2 HA ALA 110 - QB ALA 108 far 15 100 15 - 3.8-7.1 HA LYS 31 - QB ALA 15 far 15 99 15 - 1.9-22.8 HA GLN 61 - QB ALA 29 far 10 99 10 - 3.3-14.9 HA LYS 26 - QB ALA 28 far 9 90 10 - 3.8-7.4 HB THR 115 - QB ALA 109 far 7 73 10 - 3.5-12.8 HA ALA 12 - QB ALA 15 far 5 100 5 - 4.2-9.3 HA ALA 21 - QB ALA 108 far 5 99 5 - 3.3-36.5 HA ALA 21 - QB ALA 28 far 5 99 5 - 4.1-16.3 HA THR 18 - QB ALA 15 far 5 99 5 - 3.8-9.2 HA THR 25 - QB ALA 29 far 5 99 5 - 4.2-10.8 HA ALA 16 - QB ALA 110 far 5 98 5 - 3.9-45.0 HA LYS 26 - QB ALA 110 far 5 90 5 - 3.4-31.5 HA LEU 22 - QB ALA 28 far 4 88 5 - 2.0-15.4 HA LEU 22 - QB ALA 108 far 4 88 5 - 3.4-34.1 HA LYS 19 - QB ALA 15 far 4 87 5 - 3.6-11.2 HA ARG 23 - QB ALA 109 far 4 80 5 - 2.2-33.4 HA LYS 26 - QB ALA 109 far 3 66 5 - 4.0-28.9 HA THR 18 - QB ALA 28 far 0 99 0 - 4.2-20.7 HA GLN 61 - QB ALA 108 far 0 99 0 - 4.2-16.5 HA ALA 108 - QB ALA 28 far 0 98 0 - 4.4-24.8 HA THR 18 - QB ALA 110 far 0 99 0 - 4.4-44.9 HB THR 115 - QB ALA 110 far 0 96 0 - 4.5-11.4 HA GLN 61 - QB ALA 28 far 0 100 0 - 4.5-19.9 HA LYS 26 - QB ALA 29 far 0 89 0 - 5.0-9.8 HA SER 74 - QB ALA 29 far 0 99 0 - 5.1-17.1 HA ALA 108 - QB ALA 110 far 0 98 0 - 5.2-7.7 HA ALA 21 - QB ALA 109 far 0 78 0 - 5.2-38.2 HA LYS 26 - QB ALA 108 far 0 89 0 - 5.2-27.3 HA ARG 23 - QB ALA 110 far 0 100 0 - 5.2-36.2 HA LYS 19 - QB ALA 28 far 0 86 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 98 0 - 5.5-7.8 HA ARG 23 - QB ALA 108 far 0 100 0 - 5.5-32.0 HA LYS 36 - QB ALA 29 far 0 97 0 - 5.6-13.8 HA LYS 26 - QB ALA 15 far 0 90 0 - 5.6-18.8 HA ALA 108 - QB ALA 29 far 0 98 0 - 5.7-22.1 HA ALA 12 - QB ALA 28 far 0 100 0 - 5.7-22.6 HA THR 25 - QB ALA 109 far 0 78 0 - 5.8-29.6 HA ARG 23 - QB ALA 29 far 0 100 0 - 5.9-12.4 HA LEU 22 - QB ALA 109 far 0 65 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 98 0 - 6.1-7.3 HA ARG 23 - QB ALA 15 far 0 100 0 - 6.2-16.4 HA ALA 15 - QB ALA 28 far 0 100 0 - 6.2-22.3 HA ALA 16 - QB ALA 109 far 0 75 0 - 6.2-42.1 HA ALA 16 - QB ALA 28 far 0 98 0 - 6.4-21.8 HA GLN 61 - QB ALA 109 far 0 79 0 - 6.4-17.7 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.5-19.5 HA ALA 21 - QB ALA 110 far 0 100 0 - 6.5-41.1 HA SER 74 - QB ALA 28 far 0 99 0 - 6.6-22.0 HA ALA 110 - QB ALA 15 far 0 100 0 - 6.6-46.6 HA ALA 109 - QB ALA 28 far 0 98 0 - 6.7-26.0 HA LYS 19 - QB ALA 110 far 0 86 0 - 6.8-43.3 HA THR 25 - QB ALA 108 far 0 99 0 - 6.8-27.8 HA LEU 22 - QB ALA 29 far 0 88 0 - 7.0-15.2 HA THR 18 - QB ALA 109 far 0 77 0 - 7.0-41.9 HA THR 25 - QB ALA 110 far 0 99 0 - 7.1-32.7 HA ALA 15 - QB ALA 110 far 0 100 0 - 7.1-47.6 HA ALA 21 - QB ALA 29 far 0 99 0 - 7.1-16.4 HA LEU 22 - QB ALA 110 far 0 88 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 89 0 - 7.3-14.9 HA ALA 21 - QB ALA 15 far 0 100 0 - 7.3-13.0 HB THR 115 - QB ALA 108 far 0 96 0 - 7.4-14.5 HA ALA 15 - QB ALA 29 far 0 100 0 - 7.4-22.4 HA ALA 15 - QB ALA 109 far 0 80 0 - 7.5-44.5 HA LYS 31 - QB ALA 108 far 0 98 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 63 0 - 7.8-40.6 HA ALA 110 - QB ALA 28 far 0 100 0 - 7.8-26.6 HA THR 25 - QB ALA 15 far 0 99 0 - 7.8-18.5 HA LYS 19 - QB ALA 29 far 0 86 0 - 8.0-19.1 HA ALA 109 - QB ALA 15 far 0 99 0 - 8.0-45.2 HA GLN 61 - QB ALA 15 far 0 100 0 - 8.1-30.8 HA THR 18 - QB ALA 29 far 0 98 0 - 8.1-20.6 HA THR 18 - QB ALA 108 far 0 98 0 - 8.4-40.4 HA LYS 36 - QB ALA 28 far 0 97 0 - 8.4-17.1 HA LYS 19 - QB ALA 108 far 0 86 0 - 8.5-39.5 HA LYS 36 - QB ALA 15 far 0 97 0 - 8.6-28.8 HA ALA 109 - QB ALA 29 far 0 98 0 - 8.6-23.4 HA ALA 108 - QB ALA 15 far 0 99 0 - 8.7-42.9 HB THR 115 - QB ALA 15 far 0 97 0 - 9.0-43.9 HA ALA 16 - QB ALA 108 far 0 97 0 - 9.1-40.0 HA ALA 110 - QB ALA 29 far 0 100 0 - 9.1-24.9 HA LYS 31 - QB ALA 109 far 0 76 0 - 9.1-27.0 HA TYR 76 - QB ALA 29 far 0 64 0 - 9.5-18.4 HA TYR 76 - QB ALA 15 far 0 65 0 - 9.8-36.0 HA ALA 15 - QB ALA 108 far 0 100 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 204 from cnoeabs.peaks (1.38, 1.38, 19.12 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * QB ALA 15 + QB ALA 15 OK 100 100 - 100 QB ALA 110 + QB ALA 110 OK 100 100 - 100 QB ALA 28 + QB ALA 28 OK 100 100 - 100 QB ALA 108 + QB ALA 108 OK 100 100 - 100 QB ALA 29 + QB ALA 29 OK 100 100 - 100 QB ALA 109 + QB ALA 109 OK 78 78 - 100 Peak 205 from cnoeabs.peaks (8.03, 1.38, 19.12 ppm; 3.91 A): 1 out of 24 assignments used, quality = 1.00: * H ALA 16 + QB ALA 15 OK 100 100 100 100 2.0-3.6 3.7=100 H ALA 52 - QB ALA 29 far 5 100 5 - 5.1-17.6 H VAL 57 - QB ALA 15 far 4 73 5 - 4.5-37.1 H VAL 57 - QB ALA 110 far 4 73 5 - 4.9-16.3 H LEU 48 - QB ALA 29 lone 3 91 40 9 3.9-16.3 3.9/10790=5, 5.0/10732=2 H ALA 16 - QB ALA 110 far 0 100 0 - 5.5-44.8 H LEU 48 - QB ALA 28 far 0 91 0 - 5.7-18.9 H ALA 16 - QB ALA 28 far 0 100 0 - 5.7-20.6 H ALA 52 - QB ALA 28 far 0 100 0 - 7.2-21.0 H TYR 76 - QB ALA 29 far 0 94 0 - 7.3-16.8 H VAL 57 - QB ALA 109 far 0 51 0 - 7.5-14.6 H CYS 125 - QB ALA 110 far 0 94 0 - 7.6-20.1 H ALA 16 - QB ALA 109 far 0 80 0 - 7.6-41.7 H VAL 57 - QB ALA 29 far 0 72 0 - 7.7-18.7 H ALA 52 - QB ALA 15 far 0 100 0 - 8.0-31.4 H VAL 57 - QB ALA 28 far 0 73 0 - 8.9-22.2 H ALA 16 - QB ALA 29 far 0 100 0 - 9.1-21.7 H LEU 48 - QB ALA 15 far 0 92 0 - 9.2-28.8 H VAL 57 - QB ALA 108 far 0 72 0 - 9.3-16.4 H TYR 76 - QB ALA 28 far 0 94 0 - 9.5-21.6 H CYS 125 - QB ALA 108 far 0 94 0 - 9.6-18.6 H SER 130 - QB ALA 29 far 0 99 0 - 9.7-17.6 H TYR 76 - QB ALA 15 far 0 95 0 - 9.7-35.5 H CYS 79 - QB ALA 15 far 0 95 0 - 9.8-38.7 Violated in 0 structures by 0.00 A. Peak 206 from cnoeabs.peaks (8.03, 4.28, 52.57 ppm; 3.36 A): 2 out of 17 assignments used, quality = 1.00: * H ALA 16 + HA ALA 16 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 16 + HA ALA 15 OK 89 93 100 96 2.1-3.6 3.6=83, 6124/2.1=37...(26) H ALA 16 - HA ALA 12 far 13 85 15 - 4.3-12.5 H ALA 16 - HA ALA 21 far 0 73 0 - 5.6-14.3 H VAL 57 - HA ALA 15 far 0 63 0 - 5.8-44.5 H ALA 52 - HA ALA 16 far 0 100 0 - 6.2-37.3 H VAL 57 - HA ALA 16 far 0 73 0 - 6.7-42.0 H ALA 16 - HA ALA 110 far 0 91 0 - 6.9-52.9 H ALA 52 - HA ALA 21 far 0 73 0 - 7.3-30.8 H VAL 57 - HA ALA 110 far 0 61 0 - 7.9-20.2 H CYS 79 - HA ALA 12 far 0 76 0 - 8.0-44.2 H VAL 57 - HA ALA 109 far 0 60 0 - 8.4-17.9 H ALA 16 - HA ALA 109 far 0 90 0 - 9.0-51.4 H ALA 52 - HA ALA 15 far 0 93 0 - 9.2-36.2 H LEU 48 - HA ALA 21 far 0 61 0 - 9.3-31.3 H CYS 79 - HA ALA 16 far 0 95 0 - 9.5-43.3 H TYR 76 - HA ALA 12 far 0 76 0 - 9.7-39.8 Violated in 0 structures by 0.00 A. Peak 207 from cnoeabs.peaks (4.28, 4.28, 52.57 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 16 + HA ALA 16 OK 100 100 - 100 HA ALA 108 + HA ALA 108 OK 94 94 - 100 HA ALA 109 + HA ALA 109 OK 90 90 - 100 HA ALA 15 + HA ALA 15 OK 89 89 - 100 HA ALA 110 + HA ALA 110 OK 88 88 - 100 HA ALA 12 + HA ALA 12 OK 81 81 - 100 HA ALA 21 + HA ALA 21 OK 63 63 - 100 Peak 208 from cnoeabs.peaks (1.40, 4.28, 52.57 ppm; 2.63 A): 7 out of 77 assignments used, quality = 1.00: * QB ALA 16 + HA ALA 16 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 77 77 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 73 73 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 67 67 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 65 65 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 110 OK 25 77 60 53 3.6-4.6 3.7/7570=16, ~7570=6...(16) QB ALA 15 + HA ALA 16 OK 24 78 70 44 3.7-4.3 3.7/6125=15, ~6122=8...(8) QB ALA 109 - HA ALA 108 poor 16 81 65 30 3.7-4.9 ~7564=6, ~7566=6, 211=4...(9) QB ALA 16 - HA ALA 15 poor 16 93 35 48 4.0-5.0 2.9/6125=17, ~6122=8...(15) QB ALA 110 - HA ALA 109 poor 15 65 45 51 3.8-5.0 2.9/7570=17, ~7571=6...(21) QB ALA 108 - HA ALA 109 poor 13 69 70 27 3.6-4.9 7566/3.0=11, 2.9/7558=4...(6) QB ALA 16 - HA ALA 12 far 9 85 10 - 2.2-11.1 QB ALA 108 - HA ALA 110 far 7 70 10 - 3.8-7.1 QB ALA 34 - HA ALA 16 far 5 93 5 - 4.1-26.6 QB ALA 16 - HA ALA 110 far 5 91 5 - 3.4-42.4 HG2 LYS 24 - HA ALA 21 far 4 44 10 - 2.3-10.7 QB ALA 110 - HA ALA 16 far 4 78 5 - 3.9-45.0 QB ALA 108 - HA ALA 21 far 3 53 5 - 3.3-36.5 QB ALA 28 - HA ALA 21 far 3 52 5 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 60 0 - 4.2-9.3 HG2 LYS 26 - HA ALA 109 far 0 51 0 - 4.3-33.1 QB ALA 16 - HA ALA 21 far 0 73 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 71 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 46 0 - 4.7-28.9 HG3 LYS 31 - HA ALA 15 far 0 83 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 93 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 69 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 60 0 - 5.2-38.2 QB ALA 29 - HA ALA 108 far 0 64 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 62 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 62 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 63 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 62 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 70 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 90 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 60 0 - 6.3-22.5 HG2 LYS 26 - HA ALA 108 far 0 54 0 - 6.4-30.9 QB ALA 28 - HA ALA 16 far 0 81 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 73 0 - 6.5-33.7 HG2 LYS 26 - HA ALA 110 far 0 52 0 - 6.5-34.3 QB ALA 110 - HA ALA 21 far 0 50 0 - 6.5-41.1 QB ALA 15 - HA ALA 110 far 0 65 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 67 0 - 6.7-26.0 HG2 LYS 26 - HA ALA 21 far 0 38 0 - 6.9-16.4 HG2 LYS 24 - HA ALA 109 far 0 58 0 - 7.0-42.1 QB ALA 110 - HA ALA 15 far 0 67 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 46 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 75 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 50 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 63 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 90 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 66 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 79 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 65 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 63 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 68 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 48 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 84 0 - 7.9-31.1 HG2 LYS 36 - HA ALA 15 far 0 63 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 71 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 53 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 65 0 - 8.0-45.2 QB ALA 34 - HA ALA 15 far 0 83 0 - 8.2-28.1 HG3 LYS 31 - HA ALA 21 far 0 63 0 - 8.3-20.2 QB ALA 34 - HA ALA 21 far 0 63 0 - 8.6-24.2 HG2 LYS 26 - HA ALA 15 far 0 53 0 - 8.6-26.7 QB ALA 29 - HA ALA 109 far 0 60 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 94 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 69 0 - 8.7-42.9 QB ALA 34 - HA ALA 12 far 0 75 0 - 9.0-30.3 QB ALA 108 - HA ALA 16 far 0 83 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 61 0 - 9.1-24.9 HB2 LEU 42 - HA ALA 21 far 0 42 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 75 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 59 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 72 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 76 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 209 from cnoeabs.peaks (8.32, 4.28, 52.57 ppm; 3.57 A): 7 out of 47 assignments used, quality = 1.00: * H GLY 17 + HA ALA 16 OK 100 100 100 100 2.1-3.0 3.6=100 H GLY 111 + HA ALA 110 OK 76 76 100 100 2.5-3.6 3.6=100 H ALA 110 + HA ALA 110 OK 72 72 100 100 2.3-2.9 3.0=100 H ALA 110 + HA ALA 109 OK 71 71 100 100 2.1-3.6 3.6=100 H ALA 21 + HA ALA 21 OK 65 65 100 100 2.3-2.9 3.0=100 H GLY 111 + HA ALA 109 OK 37 75 80 62 3.0-6.7 4.5/7570=18, 7578/2.1=17...(13) H GLY 17 + HA ALA 15 OK 28 93 50 60 3.3-7.0 6127/3.6=45, 6130=12...(6) H ALA 110 - HA ALA 108 poor 19 75 25 - 4.3-7.0 H GLY 111 - HA ALA 16 far 9 89 10 - 4.2-50.4 H LYS 19 - HA ALA 15 far 8 51 15 - 2.8-11.1 H LYS 19 - HA ALA 16 far 6 60 10 - 3.8-8.6 H ALA 28 - HA ALA 108 far 5 92 5 - 4.9-29.2 H GLY 17 - HA ALA 110 far 5 91 5 - 4.9-53.9 H ALA 21 - HA ALA 108 far 4 87 5 - 4.8-46.4 H GLY 17 - HA ALA 12 far 4 85 5 - 4.9-13.6 H ALA 28 - HA ALA 21 far 4 70 5 - 4.4-17.1 H GLY 17 - HA ALA 21 far 0 73 0 - 5.2-12.1 H LYS 19 - HA ALA 21 far 0 37 0 - 5.2-7.5 H ALA 21 - HA ALA 15 far 0 85 0 - 5.5-12.4 H LYS 19 - HA ALA 12 far 0 45 0 - 5.6-16.0 H ALA 21 - HA ALA 110 far 0 83 0 - 5.7-49.8 H ALA 110 - HA ALA 16 far 0 85 0 - 6.1-52.5 H ALA 110 - HA ALA 21 far 0 55 0 - 6.1-47.9 H GLY 111 - HA ALA 21 far 0 58 0 - 6.2-45.7 H LYS 19 - HA ALA 110 far 0 49 0 - 6.3-53.4 H ALA 21 - HA ALA 16 far 0 96 0 - 6.4-12.5 H GLY 111 - HA ALA 108 far 0 79 0 - 6.4-9.8 H ALA 21 - HA ALA 109 far 0 83 0 - 6.6-48.5 H GLY 111 - HA ALA 15 far 0 78 0 - 6.7-53.5 H ALA 21 - HA ALA 12 far 0 77 0 - 6.9-17.4 H SER 99 - HA ALA 108 far 0 54 0 - 7.0-18.0 H SER 99 - HA ALA 110 far 0 52 0 - 7.4-22.6 H LEU 69 - HA ALA 21 far 0 52 0 - 7.5-26.2 H LYS 19 - HA ALA 108 far 0 52 0 - 7.7-50.1 H ALA 28 - HA ALA 15 far 0 90 0 - 7.8-24.9 H GLY 17 - HA ALA 109 far 0 90 0 - 8.1-52.6 H ALA 28 - HA ALA 109 far 0 88 0 - 8.4-31.1 H GLY 17 - HA ALA 108 far 0 94 0 - 8.5-50.0 H LEU 49 - HA ALA 21 far 0 58 0 - 8.5-29.5 H ALA 28 - HA ALA 12 far 0 82 0 - 8.5-25.8 H LYS 19 - HA ALA 109 far 0 49 0 - 8.7-52.2 H LEU 69 - HA ALA 108 far 0 71 0 - 8.8-19.6 H SER 99 - HA ALA 21 far 0 38 0 - 8.9-38.3 H SER 99 - HA ALA 109 far 0 51 0 - 9.0-18.7 H ALA 110 - HA ALA 15 far 0 74 0 - 9.6-55.6 H GLU 44 - HA ALA 16 far 0 95 0 - 9.8-35.2 H ALA 28 - HA ALA 110 far 0 88 0 - 10.0-32.3 Violated in 0 structures by 0.00 A. Peak 210 from cnoeabs.peaks (8.03, 1.40, 19.06 ppm; 4.11 A): 1 out of 11 assignments used, quality = 1.00: * H ALA 16 + QB ALA 16 OK 100 100 100 100 2.1-2.9 2.9=100 H TYR 76 - QB ALA 34 poor 12 47 25 - 2.2-11.1 H CYS 79 - QB ALA 34 far 5 47 10 - 4.8-14.6 H ALA 16 - QB ALA 34 far 0 54 0 - 5.9-27.9 H VAL 57 - QB ALA 16 far 0 73 0 - 6.4-33.6 H ALA 52 - QB ALA 16 far 0 100 0 - 6.9-30.3 H VAL 57 - QB ALA 109 far 0 27 0 - 7.5-14.6 H ALA 16 - QB ALA 109 far 0 46 0 - 7.6-41.7 H TYR 76 - QB ALA 16 far 0 95 0 - 8.4-32.6 H SER 130 - QB ALA 34 far 0 53 0 - 8.9-16.2 H CYS 79 - QB ALA 16 far 0 95 0 - 9.1-36.0 Violated in 0 structures by 0.00 A. Peak 211 from cnoeabs.peaks (4.28, 1.40, 19.06 ppm; 2.52 A): 2 out of 44 assignments used, quality = 1.00: * HA ALA 16 + QB ALA 16 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 109 + QB ALA 109 OK 46 46 100 100 2.1-2.1 2.1=100 HA ALA 15 - QB ALA 16 far 15 98 15 - 4.0-5.0 HA ALA 110 - QB ALA 109 poor 11 43 25 - 3.6-4.6 HA ALA 12 - QB ALA 16 far 10 98 10 - 2.2-11.1 HA ALA 108 - QB ALA 109 poor 6 46 50 26 3.7-4.9 ~7564=5, ~7566=5...(7) HA ALA 110 - QB ALA 16 far 5 99 5 - 3.4-42.4 HB THR 115 - QB ALA 109 far 5 46 10 - 3.5-12.8 HA LYS 26 - QB ALA 109 far 2 44 5 - 4.0-28.9 HA ARG 23 - QB ALA 109 far 2 42 5 - 2.2-33.4 HA ALA 16 - QB ALA 34 far 0 54 0 - 4.1-26.6 HA ALA 21 - QB ALA 16 far 0 93 0 - 4.4-13.2 HA LYS 31 - QB ALA 16 far 0 100 0 - 4.5-22.4 HA THR 18 - QB ALA 16 far 0 90 0 - 4.7-7.3 HA ALA 21 - QB ALA 109 far 0 39 0 - 5.2-38.2 HA SER 74 - QB ALA 34 far 0 45 0 - 5.4-14.9 HA LYS 19 - QB ALA 16 far 0 98 0 - 5.7-9.7 HA THR 25 - QB ALA 109 far 0 38 0 - 5.8-29.6 HA LYS 36 - QB ALA 34 far 0 54 0 - 6.0-6.7 HA LEU 22 - QB ALA 109 far 0 43 0 - 6.0-35.8 HA ALA 16 - QB ALA 109 far 0 46 0 - 6.2-42.1 HA LEU 22 - QB ALA 34 far 0 51 0 - 6.2-24.4 HA LYS 36 - QB ALA 16 far 0 100 0 - 6.4-29.0 HA GLN 61 - QB ALA 109 far 0 45 0 - 6.4-17.7 HA LYS 26 - QB ALA 16 far 0 99 0 - 6.9-18.9 HA LYS 26 - QB ALA 34 far 0 52 0 - 6.9-19.1 HA THR 25 - QB ALA 34 far 0 45 0 - 7.0-18.7 HA THR 18 - QB ALA 109 far 0 37 0 - 7.0-41.9 HA ALA 109 - QB ALA 16 far 0 100 0 - 7.5-41.2 HA ALA 15 - QB ALA 109 far 0 43 0 - 7.5-44.5 HA THR 18 - QB ALA 34 far 0 43 0 - 7.6-28.7 HA LYS 19 - QB ALA 109 far 0 43 0 - 7.8-40.6 HA ARG 23 - QB ALA 16 far 0 97 0 - 7.8-14.6 HA THR 25 - QB ALA 16 far 0 92 0 - 7.9-18.9 HA LYS 31 - QB ALA 34 far 0 54 0 - 7.9-10.1 HA LEU 22 - QB ALA 16 far 0 99 0 - 8.0-13.8 HA ALA 15 - QB ALA 34 far 0 50 0 - 8.2-28.1 HB THR 115 - QB ALA 16 far 0 100 0 - 8.2-40.0 HA ALA 21 - QB ALA 34 far 0 46 0 - 8.6-24.2 HA ARG 23 - QB ALA 34 far 0 50 0 - 8.6-23.1 HA ALA 108 - QB ALA 16 far 0 100 0 - 8.7-39.9 HA ALA 12 - QB ALA 34 far 0 50 0 - 9.0-30.3 HA GLN 61 - QB ALA 16 far 0 100 0 - 9.1-27.3 HA LYS 31 - QB ALA 109 far 0 46 0 - 9.1-27.0 Violated in 0 structures by 0.00 A. Peak 212 from cnoeabs.peaks (1.40, 1.40, 19.06 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QB ALA 16 + QB ALA 16 OK 100 100 - 100 QB ALA 34 + QB ALA 34 OK 46 46 - 100 QB ALA 109 + QB ALA 109 OK 37 37 - 100 Peak 213 from cnoeabs.peaks (8.32, 1.40, 19.06 ppm; 4.66 A): 3 out of 21 assignments used, quality = 1.00: * H GLY 17 + QB ALA 16 OK 100 100 100 100 1.9-3.7 3.7=100 H ALA 110 + QB ALA 109 OK 33 33 100 100 1.8-3.7 3.7=100 H GLY 111 + QB ALA 109 OK 31 36 100 86 2.2-5.6 7578/4.7=27, 4.5/7571=25...(12) H ALA 21 - QB ALA 16 far 14 96 15 - 5.6-11.3 H GLY 111 - QB ALA 16 far 9 89 10 - 2.3-40.1 H LYS 19 - QB ALA 16 poor 8 60 60 21 3.6-8.8 10699/4.7=7, 10699/4.7=6...(6) H ALA 110 - QB ALA 16 far 4 85 5 - 5.2-41.9 H TYR 72 - QB ALA 34 lone 3 54 40 15 2.3-11.0 9023/10820=14 H GLY 17 - QB ALA 34 far 3 54 5 - 5.4-27.1 H LEU 69 - QB ALA 34 far 2 37 5 - 5.0-13.2 H LYS 19 - QB ALA 109 far 0 22 0 - 6.6-42.2 H GLY 17 - QB ALA 109 far 0 46 0 - 6.8-42.7 H ALA 21 - QB ALA 109 far 0 40 0 - 6.9-39.2 H SER 99 - QB ALA 109 far 0 23 0 - 7.4-16.4 H GLU 44 - QB ALA 34 far 0 47 0 - 7.5-12.2 H GLU 44 - QB ALA 16 far 0 95 0 - 7.8-28.1 H ALA 28 - QB ALA 109 far 0 44 0 - 7.9-25.5 H LYS 19 - QB ALA 34 far 0 26 0 - 7.9-27.6 H ALA 28 - QB ALA 16 far 0 99 0 - 9.3-19.0 H LEU 69 - QB ALA 109 far 0 31 0 - 9.5-17.9 H ALA 21 - QB ALA 34 far 0 48 0 - 9.6-26.2 Violated in 0 structures by 0.00 A. Peak 214 from cnoeabs.peaks (8.32, 3.96, 45.21 ppm; 3.22 A): 3 out of 21 assignments used, quality = 1.00: * H GLY 17 + HA2 GLY 17 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 17 + HA3 GLY 17 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 111 + HA3 GLY 111 OK 56 56 100 100 2.3-3.0 3.0=100 H ALA 21 - HA3 GLY 17 far 14 96 15 - 3.7-10.3 H LYS 19 - HA2 GLY 17 poor 13 60 70 31 3.4-7.0 6144/3.6=20, 10699/1.8=5...(6) H LYS 19 - HA3 GLY 17 far 9 60 15 - 4.1-7.0 H ALA 110 - HA3 GLY 111 far 5 53 10 - 4.5-6.4 H ALA 21 - HA2 GLY 17 poor 5 96 25 21 2.5-9.9 4.3/10668=7, 4.3/10668=7...(5) H GLY 111 - HA3 GLY 17 far 4 89 5 - 3.7-49.6 H GLY 17 - HA3 GLY 111 far 4 70 5 - 3.7-50.2 H ALA 110 - HA3 GLY 17 far 0 85 0 - 5.4-51.9 H GLY 111 - HA2 GLY 17 far 0 89 0 - 5.5-51.3 H GLU 44 - HA3 GLY 17 far 0 95 0 - 6.0-32.5 H GLU 44 - HA2 GLY 17 far 0 95 0 - 6.7-32.3 H ALA 110 - HA2 GLY 17 far 0 85 0 - 6.9-53.5 H LYS 19 - HA3 GLY 111 far 0 35 0 - 7.9-49.4 H LEU 49 - HA2 GLY 17 far 0 89 0 - 8.2-31.8 H ALA 21 - HA3 GLY 111 far 0 63 0 - 8.3-46.0 H LEU 69 - HA2 GLY 17 far 0 81 0 - 9.2-31.8 H ALA 28 - HA2 GLY 17 far 0 99 0 - 9.3-22.3 H LEU 49 - HA3 GLY 17 far 0 89 0 - 9.6-30.8 Violated in 0 structures by 0.00 A. Peak 215 from cnoeabs.peaks (3.96, 3.96, 45.21 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA3 GLY 17 + HA3 GLY 17 OK 100 100 - 100 * HA2 GLY 17 + HA2 GLY 17 OK 100 100 - 100 HA3 GLY 111 + HA3 GLY 111 OK 58 58 - 100 Peak 216 from cnoeabs.peaks (3.96, 3.96, 45.21 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA3 GLY 17 + HA3 GLY 17 OK 100 100 - 100 HA2 GLY 17 + HA2 GLY 17 OK 100 100 - 100 HA3 GLY 111 + HA3 GLY 111 OK 58 58 - 100 Reference assignment not found: HA3 GLY 17 - HA2 GLY 17 Peak 217 from cnoeabs.peaks (7.97, 3.96, 45.21 ppm; 3.19 A): 2 out of 12 assignments used, quality = 0.99: * H THR 18 + HA2 GLY 17 OK 92 100 100 92 2.1-3.6 3.6=71, 6134/3.0=45...(6) H THR 18 + HA3 GLY 17 OK 92 100 100 92 2.5-3.6 3.6=71, 6134/3.0=45...(6) H ILE 37 - HA3 GLY 17 far 5 99 5 - 3.4-31.6 H SER 38 - HA3 GLY 17 far 5 98 5 - 3.5-33.6 H SER 38 - HA2 GLY 17 far 5 98 5 - 4.1-33.3 H LYS 36 - HA3 GLY 17 far 4 76 5 - 3.8-31.0 H LYS 36 - HA2 GLY 17 far 0 76 0 - 4.9-30.7 H ILE 37 - HA2 GLY 17 far 0 99 0 - 4.9-31.1 H SER 51 - HA2 GLY 17 far 0 97 0 - 5.3-33.9 H THR 18 - HA3 GLY 111 far 0 70 0 - 6.1-50.7 H ASP 64 - HA3 GLY 111 far 0 60 0 - 6.6-17.8 H SER 51 - HA3 GLY 17 far 0 97 0 - 6.8-33.8 Violated in 0 structures by 0.00 A. Peak 218 from cnoeabs.peaks (8.32, 3.96, 45.21 ppm; 3.22 A): 3 out of 21 assignments used, quality = 1.00: H GLY 17 + HA2 GLY 17 OK 100 100 100 100 2.3-3.0 3.0=100 * H GLY 17 + HA3 GLY 17 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 111 + HA3 GLY 111 OK 56 56 100 100 2.3-3.0 3.0=100 H ALA 21 - HA3 GLY 17 far 14 96 15 - 3.7-10.3 H LYS 19 - HA2 GLY 17 poor 13 60 70 31 3.4-7.0 6144/3.6=20, 10699/1.8=5...(6) H LYS 19 - HA3 GLY 17 far 9 60 15 - 4.1-7.0 H ALA 110 - HA3 GLY 111 far 5 53 10 - 4.5-6.4 H ALA 21 - HA2 GLY 17 poor 5 96 25 21 2.5-9.9 4.3/10668=7, 4.3/10668=7...(5) H GLY 111 - HA3 GLY 17 far 4 89 5 - 3.7-49.6 H GLY 17 - HA3 GLY 111 far 4 70 5 - 3.7-50.2 H ALA 110 - HA3 GLY 17 far 0 85 0 - 5.4-51.9 H GLY 111 - HA2 GLY 17 far 0 89 0 - 5.5-51.3 H GLU 44 - HA3 GLY 17 far 0 95 0 - 6.0-32.5 H GLU 44 - HA2 GLY 17 far 0 95 0 - 6.7-32.3 H ALA 110 - HA2 GLY 17 far 0 85 0 - 6.9-53.5 H LYS 19 - HA3 GLY 111 far 0 35 0 - 7.9-49.4 H LEU 49 - HA2 GLY 17 far 0 89 0 - 8.2-31.8 H ALA 21 - HA3 GLY 111 far 0 63 0 - 8.3-46.0 H LEU 69 - HA2 GLY 17 far 0 81 0 - 9.2-31.8 H ALA 28 - HA2 GLY 17 far 0 99 0 - 9.3-22.3 H LEU 49 - HA3 GLY 17 far 0 89 0 - 9.6-30.8 Violated in 0 structures by 0.00 A. Peak 219 from cnoeabs.peaks (3.96, 3.96, 45.21 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA3 GLY 17 + HA3 GLY 17 OK 100 100 - 100 HA2 GLY 17 + HA2 GLY 17 OK 100 100 - 100 HA3 GLY 111 + HA3 GLY 111 OK 58 58 - 100 Reference assignment not found: HA2 GLY 17 - HA3 GLY 17 Peak 220 from cnoeabs.peaks (3.96, 3.96, 45.21 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA3 GLY 17 + HA3 GLY 17 OK 100 100 - 100 HA2 GLY 17 + HA2 GLY 17 OK 100 100 - 100 HA3 GLY 111 + HA3 GLY 111 OK 58 58 - 100 Peak 221 from cnoeabs.peaks (7.97, 3.96, 45.21 ppm; 3.19 A): 2 out of 12 assignments used, quality = 0.99: H THR 18 + HA2 GLY 17 OK 92 100 100 92 2.1-3.6 3.6=71, 6134/3.0=45...(6) * H THR 18 + HA3 GLY 17 OK 92 100 100 92 2.5-3.6 3.6=71, 6134/3.0=45...(6) H ILE 37 - HA3 GLY 17 far 5 99 5 - 3.4-31.6 H SER 38 - HA3 GLY 17 far 5 98 5 - 3.5-33.6 H SER 38 - HA2 GLY 17 far 5 98 5 - 4.1-33.3 H LYS 36 - HA3 GLY 17 far 4 76 5 - 3.8-31.0 H LYS 36 - HA2 GLY 17 far 0 76 0 - 4.9-30.7 H ILE 37 - HA2 GLY 17 far 0 99 0 - 4.9-31.1 H SER 51 - HA2 GLY 17 far 0 97 0 - 5.3-33.9 H THR 18 - HA3 GLY 111 far 0 70 0 - 6.1-50.7 H ASP 64 - HA3 GLY 111 far 0 60 0 - 6.6-17.8 H SER 51 - HA3 GLY 17 far 0 97 0 - 6.8-33.8 Violated in 0 structures by 0.00 A. Peak 222 from cnoeabs.peaks (7.97, 4.29, 61.95 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * H THR 18 + HA THR 18 OK 100 100 100 100 2.8-2.9 3.0=100 H SER 38 - HA THR 18 far 5 98 5 - 3.2-34.8 H ILE 37 - HA THR 18 far 0 99 0 - 5.5-33.7 H LYS 36 - HA THR 18 far 0 76 0 - 5.9-34.2 H SER 51 - HA THR 18 far 0 97 0 - 8.6-35.0 Violated in 0 structures by 0.00 A. Peak 223 from cnoeabs.peaks (4.29, 4.29, 61.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 18 + HA THR 18 OK 100 100 - 100 Peak 224 from cnoeabs.peaks (4.19, 4.29, 61.95 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 18 + HA THR 18 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 SER 38 - HA THR 18 far 3 60 5 - 3.9-37.3 HA SER 51 - HA THR 18 far 0 76 0 - 7.8-36.6 HB THR 25 - HA THR 18 far 0 99 0 - 8.0-18.8 Violated in 0 structures by 0.00 A. Peak 225 from cnoeabs.peaks (1.17, 4.29, 61.95 ppm; 3.46 A): 1 out of 6 assignments used, quality = 1.00: * QG2 THR 18 + HA THR 18 OK 100 100 100 100 2.0-2.9 3.2=100 QB ALA 41 - HA THR 18 far 0 100 0 - 5.7-28.5 HG12 ILE 32 - HA THR 18 far 0 98 0 - 6.8-25.1 QG2 THR 25 - HA THR 18 far 0 90 0 - 7.1-15.4 HG3 LYS 39 - HA THR 18 far 0 92 0 - 8.6-40.0 HB3 LEU 62 - HA THR 18 far 0 65 0 - 9.8-37.6 Violated in 0 structures by 0.00 A. Peak 226 from cnoeabs.peaks (8.35, 4.29, 61.95 ppm; 2.89 A): 1 out of 7 assignments used, quality = 0.93: * H LYS 19 + HA THR 18 OK 93 100 100 93 2.4-3.6 6145=59, 6144/3.0=43...(16) H GLY 17 - HA THR 18 far 9 60 15 - 4.1-5.4 H GLY 14 - HA THR 18 far 4 89 5 - 3.1-13.7 H LYS 24 - HA THR 18 far 0 83 0 - 5.8-12.6 H LYS 26 - HA THR 18 far 0 81 0 - 8.3-19.0 H ALA 28 - HA THR 18 far 0 78 0 - 8.4-22.3 H GLU 44 - HA THR 18 far 0 90 0 - 9.2-35.4 Violated in 17 structures by 0.53 A. Peak 227 from cnoeabs.peaks (7.97, 4.19, 69.66 ppm; 3.40 A): 1 out of 11 assignments used, quality = 1.00: * H THR 18 + HB THR 18 OK 100 100 100 100 2.2-3.4 6140=100, 6141/2.1=72...(9) H ASP 64 - HB THR 25 far 0 78 0 - 5.0-23.3 H SER 38 - HB THR 18 far 0 98 0 - 5.5-36.0 H SER 51 - HB THR 25 far 0 82 0 - 5.5-27.0 H THR 18 - HB THR 25 far 0 88 0 - 6.5-19.8 H ILE 37 - HB THR 18 far 0 99 0 - 6.7-34.7 H SER 51 - HB THR 18 far 0 97 0 - 7.4-36.9 H LYS 36 - HB THR 25 far 0 60 0 - 7.6-25.3 H LYS 36 - HB THR 18 far 0 76 0 - 8.2-35.3 H ILE 37 - HB THR 25 far 0 86 0 - 9.4-25.2 H ASP 64 - HB THR 18 far 0 93 0 - 9.7-36.4 Violated in 0 structures by 0.00 A. Peak 228 from cnoeabs.peaks (4.29, 4.19, 69.66 ppm; 4.35 A): 4 out of 34 assignments used, quality = 1.00: * HA THR 18 + HB THR 18 OK 100 100 100 100 2.9-3.0 3.0=100 HA THR 25 + HB THR 25 OK 88 88 100 100 2.4-2.9 3.0=100 HA LYS 19 + HB THR 18 OK 70 71 100 100 4.0-5.1 3.0/6146=80, ~226=37...(20) HA LYS 26 + HB THR 25 OK 60 60 100 99 3.9-5.5 2.9/6247=82, ~6248=47...(17) HA ALA 15 - HB THR 18 poor 20 99 20 - 3.5-10.3 HA ALA 16 - HB THR 18 poor 12 90 50 25 4.8-8.7 6139/6140=15, 3.6/231=7...(4) HA LYS 31 - HB THR 18 far 9 92 10 - 5.3-27.2 HA ARG 23 - HB THR 25 poor 7 86 25 34 4.0-9.0 6240/6241=26, 424/6247=5...(4) HA ALA 21 - HB THR 18 far 5 100 5 - 5.7-9.4 HA LYS 36 - HB THR 18 far 4 89 5 - 5.6-37.9 HA ALA 21 - HB THR 25 far 4 88 5 - 4.8-13.5 HA GLN 61 - HB THR 25 far 4 82 5 - 1.9-26.7 HA ALA 108 - HB THR 25 far 4 76 5 - 4.7-32.8 HA LEU 22 - HB THR 25 far 3 58 5 - 5.5-11.5 HA LYS 19 - HB THR 25 far 3 56 5 - 4.3-18.9 HA ALA 12 - HB THR 18 lone 3 99 40 6 3.6-16.0 2.1/10670=2, ~10686=2 HA ARG 23 - HB THR 18 far 0 99 0 - 5.9-14.4 HA LYS 31 - HB THR 25 far 0 76 0 - 6.1-16.1 HA ALA 110 - HB THR 18 far 0 99 0 - 6.2-55.3 HA TYR 76 - HB THR 18 far 0 83 0 - 6.4-37.0 HA ALA 109 - HB THR 18 far 0 92 0 - 6.5-54.1 HA ALA 15 - HB THR 25 far 0 85 0 - 6.6-24.3 HA ALA 12 - HB THR 25 far 0 85 0 - 6.9-24.9 HA GLN 61 - HB THR 18 far 0 97 0 - 6.9-34.8 HA LEU 22 - HB THR 18 far 0 73 0 - 7.0-12.5 HA THR 25 - HB THR 18 far 0 100 0 - 7.1-20.0 HA LYS 36 - HB THR 25 far 0 73 0 - 7.3-28.2 HA ALA 109 - HB THR 25 far 0 76 0 - 7.7-35.1 HA THR 18 - HB THR 25 far 0 88 0 - 8.0-18.8 HA ALA 110 - HB THR 25 far 0 85 0 - 8.6-36.6 HA2 GLY 75 - HB THR 18 far 0 68 0 - 8.8-36.0 HA ALA 16 - HB THR 25 far 0 74 0 - 8.8-22.8 HA LYS 26 - HB THR 18 far 0 76 0 - 9.0-20.6 HA ALA 108 - HB THR 18 far 0 92 0 - 9.3-51.9 Violated in 0 structures by 0.00 A. Peak 229 from cnoeabs.peaks (4.19, 4.19, 69.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 18 + HB THR 18 OK 100 100 - 100 HB THR 25 + HB THR 25 OK 85 85 - 100 Peak 230 from cnoeabs.peaks (1.17, 4.19, 69.66 ppm; 2.59 A): 2 out of 10 assignments used, quality = 1.00: * QG2 THR 18 + HB THR 18 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 25 + HB THR 25 OK 74 74 100 100 2.1-2.1 2.1=100 HG12 ILE 32 - HB THR 25 far 0 84 0 - 4.3-16.3 QB ALA 41 - HB THR 25 far 0 88 0 - 5.3-22.6 QG2 THR 18 - HB THR 25 far 0 88 0 - 5.4-17.5 QG2 THR 25 - HB THR 18 far 0 90 0 - 6.0-17.6 HB3 LEU 62 - HB THR 25 far 0 51 0 - 7.6-23.4 QB ALA 41 - HB THR 18 far 0 100 0 - 7.9-29.5 HB3 LEU 62 - HB THR 18 far 0 65 0 - 8.4-39.6 HG12 ILE 32 - HB THR 18 far 0 98 0 - 8.7-26.1 Violated in 0 structures by 0.00 A. Peak 231 from cnoeabs.peaks (8.35, 4.19, 69.66 ppm; 3.42 A): 2 out of 14 assignments used, quality = 1.00: * H LYS 19 + HB THR 18 OK 100 100 100 100 2.0-3.2 6146=100, 226/3.0=62...(16) H LYS 26 + HB THR 25 OK 62 65 100 96 1.8-3.9 6247=70, 6248/2.1=47...(12) H ALA 28 - HB THR 25 poor 19 63 30 - 2.7-9.3 H GLY 17 - HB THR 18 poor 18 60 75 41 3.5-6.3 4.4/6140=37, 236/2.1=4 H GLY 14 - HB THR 18 poor 18 89 20 - 4.4-12.9 H LYS 24 - HB THR 25 poor 13 67 20 - 4.0-7.4 H LYS 24 - HB THR 18 far 4 83 5 - 4.1-15.1 H LYS 19 - HB THR 25 far 0 88 0 - 5.0-19.7 H GLU 44 - HB THR 25 far 0 74 0 - 6.2-27.7 H GLY 14 - HB THR 25 far 0 73 0 - 7.6-26.6 H ALA 28 - HB THR 18 far 0 78 0 - 8.3-23.1 H LYS 26 - HB THR 18 far 0 81 0 - 8.4-21.6 H HIS 3 - HB THR 25 far 0 44 0 - 8.7-52.4 H GLY 17 - HB THR 25 far 0 47 0 - 9.4-21.2 Violated in 0 structures by 0.00 A. Peak 232 from cnoeabs.peaks (7.97, 1.17, 21.38 ppm; 3.80 A): 1 out of 13 assignments used, quality = 1.00: * H THR 18 + QG2 THR 18 OK 100 100 100 100 3.3-4.0 6141=100, 6140/2.1=86...(8) H THR 18 - QG2 THR 25 far 4 70 5 - 5.2-16.3 H SER 51 - QG2 THR 25 far 3 64 5 - 4.5-23.3 H ASP 64 - QG2 THR 25 far 3 60 5 - 4.0-19.9 H SER 38 - QG2 THR 18 far 0 98 0 - 5.4-30.9 H LYS 36 - QG2 THR 25 far 0 46 0 - 5.4-20.3 H ILE 37 - QG2 THR 25 far 0 68 0 - 6.7-20.4 H ILE 37 - QG2 THR 18 far 0 99 0 - 7.0-29.9 H SER 38 - QG2 THR 25 far 0 66 0 - 7.2-20.9 H SER 51 - QG2 THR 18 far 0 97 0 - 7.5-31.9 H LYS 36 - QG2 THR 18 far 0 76 0 - 7.7-30.3 H ASP 64 - QG2 THR 18 far 0 93 0 - 7.9-29.6 H SER 94 - QG2 THR 25 far 0 53 0 - 9.7-25.5 Violated in 2 structures by 0.02 A. Peak 233 from cnoeabs.peaks (4.29, 1.17, 21.38 ppm; 3.27 A): 3 out of 34 assignments used, quality = 1.00: * HA THR 18 + QG2 THR 18 OK 100 100 100 100 2.0-2.9 3.2=100 HA THR 25 + QG2 THR 25 OK 70 70 100 100 2.1-3.0 3.2=100 HA LYS 19 + QG2 THR 18 OK 64 71 100 91 2.8-4.4 3.0/10697=32...(17) HA ALA 15 - QG2 THR 18 far 15 99 15 - 3.7-10.5 HA LYS 26 - QG2 THR 25 poor 14 46 30 - 2.9-5.6 HA ARG 23 - QG2 THR 25 far 7 68 10 - 3.2-6.8 HA LYS 31 - QG2 THR 18 far 5 92 5 - 3.6-23.3 HA ALA 21 - QG2 THR 25 far 4 70 5 - 2.1-11.4 HA ALA 15 - QG2 THR 25 far 3 68 5 - 3.7-20.6 HA ALA 12 - QG2 THR 25 far 3 68 5 - 4.7-20.5 HA GLN 61 - QG2 THR 25 far 3 64 5 - 2.0-22.8 HA LYS 31 - QG2 THR 25 far 3 59 5 - 3.7-12.0 HA ALA 108 - QG2 THR 25 far 3 59 5 - 3.7-27.9 HA LYS 36 - QG2 THR 25 far 3 56 5 - 4.7-22.7 HA LEU 22 - QG2 THR 25 far 2 44 5 - 3.3-9.5 HA LYS 19 - QG2 THR 25 far 2 42 5 - 4.6-15.1 HA ALA 12 - QG2 THR 18 lone 1 99 35 3 3.7-14.2 HA GLN 61 - QG2 THR 18 far 0 97 0 - 5.0-28.0 HA LYS 36 - QG2 THR 18 far 0 89 0 - 5.2-32.6 HA TYR 76 - QG2 THR 18 far 0 83 0 - 5.4-31.7 HA ALA 16 - QG2 THR 18 far 0 90 0 - 5.5-8.6 HA ALA 110 - QG2 THR 18 far 0 99 0 - 5.6-45.3 HA THR 25 - QG2 THR 18 far 0 100 0 - 5.6-16.2 HA ARG 23 - QG2 THR 18 far 0 99 0 - 5.6-11.8 HA LEU 22 - QG2 THR 18 far 0 73 0 - 5.7-9.8 HA ALA 21 - QG2 THR 18 far 0 100 0 - 5.7-7.7 HA ALA 16 - QG2 THR 25 far 0 58 0 - 6.4-18.9 HA ALA 109 - QG2 THR 25 far 0 59 0 - 6.8-29.8 HA ALA 109 - QG2 THR 18 far 0 92 0 - 6.9-44.2 HA THR 18 - QG2 THR 25 far 0 70 0 - 7.1-15.4 HA LYS 26 - QG2 THR 18 far 0 76 0 - 7.1-17.1 HA2 GLY 75 - QG2 THR 18 far 0 68 0 - 8.1-31.6 HA ALA 110 - QG2 THR 25 far 0 67 0 - 8.5-31.3 HA ALA 108 - QG2 THR 18 far 0 92 0 - 8.6-42.6 Violated in 0 structures by 0.00 A. Peak 234 from cnoeabs.peaks (4.19, 1.17, 21.38 ppm; 2.77 A): 2 out of 12 assignments used, quality = 1.00: * HB THR 18 + QG2 THR 18 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 25 + QG2 THR 25 OK 67 67 100 100 2.1-2.1 2.1=100 HB THR 25 - QG2 THR 18 far 0 99 0 - 5.4-17.5 HB3 SER 38 - QG2 THR 18 far 0 60 0 - 5.9-33.1 HA SER 51 - QG2 THR 25 far 0 46 0 - 5.9-24.9 HB THR 18 - QG2 THR 25 far 0 70 0 - 6.0-17.6 HB3 SER 38 - QG2 THR 25 far 0 35 0 - 6.5-23.1 HA VAL 105 - QG2 THR 25 far 0 70 0 - 7.1-26.2 HA SER 51 - QG2 THR 18 far 0 76 0 - 7.2-33.3 HA LEU 53 - QG2 THR 25 far 0 59 0 - 7.6-21.9 HA HIS 67 - QG2 THR 25 far 0 44 0 - 8.4-17.0 HA LEU 53 - QG2 THR 18 far 0 92 0 - 8.7-33.6 Violated in 0 structures by 0.00 A. Peak 235 from cnoeabs.peaks (1.17, 1.17, 21.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 THR 18 + QG2 THR 18 OK 100 100 - 100 QG2 THR 25 + QG2 THR 25 OK 58 58 - 100 Peak 236 from cnoeabs.peaks (8.35, 1.17, 21.38 ppm; 4.10 A): 4 out of 16 assignments used, quality = 1.00: * H LYS 19 + QG2 THR 18 OK 100 100 100 100 2.0-3.5 6146/2.1=86, 4.3=84...(13) H LYS 26 + QG2 THR 25 OK 49 50 100 100 2.7-4.1 4.3=90, 6247/2.1=65...(12) H LYS 24 + QG2 THR 25 OK 35 51 90 76 3.1-5.6 6228/6242=49, 10740=23...(9) H ALA 28 + QG2 THR 25 OK 21 48 55 78 3.5-8.2 4.9/10725=35...(13) H GLY 17 - QG2 THR 18 poor 19 60 55 58 4.8-6.2 4.4/6141=53, 231/2.1=9 H LYS 24 - QG2 THR 18 poor 17 83 20 - 4.2-12.2 H ALA 28 - QG2 THR 18 far 4 78 5 - 5.0-19.3 H LYS 19 - QG2 THR 25 far 4 70 5 - 4.1-16.1 H GLU 44 - QG2 THR 25 far 3 58 5 - 3.8-23.3 H GLY 14 - QG2 THR 25 far 3 56 5 - 4.8-22.2 H GLY 14 - QG2 THR 18 lone 0 89 40 1 2.9-12.5 H LYS 26 - QG2 THR 18 far 0 81 0 - 6.6-17.7 H GLY 17 - QG2 THR 25 far 0 35 0 - 7.0-17.8 H TYR 72 - QG2 THR 25 far 0 39 0 - 8.1-20.1 H HIS 3 - QG2 THR 25 far 0 33 0 - 8.4-42.6 H GLU 44 - QG2 THR 18 far 0 90 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 237 from cnoeabs.peaks (8.35, 4.27, 56.54 ppm; 3.63 A): 2 out of 28 assignments used, quality = 1.00: * H LYS 19 + HA LYS 19 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 26 + HA LYS 26 OK 79 79 100 100 2.7-2.9 2.9=100 H ALA 28 - HA LYS 26 poor 18 77 35 68 3.6-6.8 10769/3.0=28...(10) H GLU 44 - HA LYS 36 far 6 58 10 - 4.5-13.2 H LYS 19 - HA LYS 31 far 4 89 5 - 2.8-24.3 H LYS 26 - HA LYS 19 far 4 81 5 - 4.6-19.5 H GLY 14 - HA LYS 31 far 4 74 5 - 4.2-26.4 H LYS 24 - HA LYS 19 lone 3 83 25 15 1.8-12.9 6223/822=2...(8) H GLY 17 - HA LYS 31 far 2 48 5 - 3.8-26.3 H GLY 14 - HA LYS 19 far 0 89 0 - 5.4-15.5 H LYS 26 - HA LYS 31 far 0 66 0 - 5.4-14.2 H LYS 19 - HA LYS 36 far 0 71 0 - 5.5-35.2 H ALA 28 - HA LYS 19 far 0 78 0 - 5.6-20.6 H GLY 17 - HA LYS 36 far 0 35 0 - 5.7-35.7 H LYS 24 - HA LYS 26 far 0 81 0 - 5.7-8.2 H GLY 17 - HA LYS 19 far 0 60 0 - 5.7-8.7 H LYS 24 - HA LYS 36 far 0 51 0 - 5.7-29.0 H LYS 19 - HA LYS 26 far 0 100 0 - 6.0-19.6 H ALA 28 - HA LYS 31 far 0 64 0 - 6.0-10.5 H LYS 24 - HA LYS 31 far 0 68 0 - 6.1-17.9 H LYS 26 - HA LYS 36 far 0 50 0 - 6.3-26.1 H HIS 3 - HA LYS 31 far 0 45 0 - 7.3-52.3 H ALA 28 - HA LYS 36 far 0 48 0 - 7.4-21.2 H TYR 72 - HA LYS 36 far 0 39 0 - 7.5-11.9 H TYR 72 - HA LYS 31 far 0 52 0 - 8.5-16.3 H GLY 14 - HA LYS 26 far 0 87 0 - 8.6-25.9 H GLY 17 - HA LYS 26 far 0 59 0 - 8.9-20.4 H GLU 44 - HA LYS 26 far 0 89 0 - 9.9-26.3 Violated in 0 structures by 0.00 A. Peak 238 from cnoeabs.peaks (4.27, 4.27, 56.54 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LYS 19 + HA LYS 19 OK 100 100 - 100 HA LYS 26 + HA LYS 26 OK 100 100 - 100 HA LYS 31 + HA LYS 31 OK 84 84 - 100 HA LYS 36 + HA LYS 36 OK 67 67 - 100 Peak 239 from cnoeabs.peaks (1.75, 4.27, 56.54 ppm; 3.37 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HA LYS 31 OK 87 87 100 100 2.3-3.0 3.0=100 HB2 LYS 31 + HA LYS 26 OK 23 98 40 60 2.0-13.6 800=6, 4.6/798=5...(36) HB2 LYS 26 - HA LYS 31 poor 18 89 20 - 4.1-14.6 HB2 ARG 23 - HA LYS 26 far 10 99 10 - 4.3-10.5 HB2 LYS 24 - HA LYS 19 poor 7 100 30 23 2.2-13.5 2.9/822=3, 2.9/241=3...(8) HB2 LYS 19 - HA LYS 26 far 5 100 5 - 3.8-20.4 HB2 LYS 19 - HA LYS 31 far 4 89 5 - 2.8-25.6 HB2 LYS 24 - HA LYS 36 far 4 70 5 - 4.8-29.5 HB2 ARG 23 - HA LYS 36 far 3 69 5 - 3.7-27.0 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 5.3-21.5 HB2 LYS 24 - HA LYS 26 far 0 99 0 - 5.4-8.8 HB2 LYS 31 - HA LYS 19 far 0 99 0 - 5.5-26.5 HB2 ARG 23 - HA LYS 19 far 0 100 0 - 6.0-11.8 HB2 LYS 24 - HA LYS 31 far 0 89 0 - 6.3-18.8 HB2 LYS 26 - HA LYS 36 far 0 71 0 - 6.4-25.4 HB2 ARG 23 - HA LYS 31 far 0 88 0 - 6.6-20.9 HB2 LEU 43 - HA LYS 36 far 0 46 0 - 7.6-16.2 HB2 LYS 31 - HA LYS 36 far 0 68 0 - 8.0-15.2 HB2 LYS 39 - HA LYS 36 far 0 64 0 - 8.0-12.5 HB2 LYS 19 - HA LYS 36 far 0 71 0 - 8.1-34.9 HB2 LYS 39 - HA LYS 19 far 0 97 0 - 8.4-39.1 HG LEU 100 - HA LYS 26 far 0 64 0 - 9.3-21.3 Violated in 0 structures by 0.00 A. Peak 240 from cnoeabs.peaks (1.81, 4.27, 56.54 ppm; 3.43 A): 5 out of 31 assignments used, quality = 1.00: * HB3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LYS 26 + HA LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HA LYS 31 OK 89 89 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HA LYS 36 OK 69 69 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HA LYS 26 OK 24 100 40 61 2.7-15.0 4.6/798=6, 1.8/595=5...(25) HB3 LYS 26 - HA LYS 31 poor 17 87 20 - 4.4-15.8 HB ILE 32 - HA LYS 36 poor 17 69 25 - 3.6-10.5 HB3 ARG 23 - HA LYS 26 far 10 95 10 - 4.4-10.8 HB3 LYS 24 - HA LYS 19 poor 8 100 30 28 2.0-13.2 2.9/822=3, 2.9/241=3...(11) HB3 LYS 31 - HA LYS 19 far 5 100 5 - 3.9-25.7 HB ILE 32 - HA LYS 26 far 5 99 5 - 4.8-15.1 HB3 LYS 19 - HA LYS 31 far 4 89 5 - 4.5-26.9 HB3 LYS 24 - HA LYS 36 far 4 70 5 - 4.3-28.6 HB3 ARG 23 - HA LYS 36 far 3 64 5 - 4.0-26.9 HB3 LYS 19 - HA LYS 26 far 0 100 0 - 5.0-20.0 HB ILE 32 - HA LYS 31 far 0 87 0 - 5.1-6.1 HB2 LYS 36 - HA LYS 31 far 0 88 0 - 5.5-14.2 HB3 LYS 26 - HA LYS 19 far 0 99 0 - 5.6-21.5 HB3 ARG 23 - HA LYS 19 far 0 97 0 - 5.9-12.8 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 6.1-8.8 HB3 LYS 31 - HA LYS 36 far 0 71 0 - 6.7-16.3 HB3 LYS 26 - HA LYS 36 far 0 68 0 - 6.9-25.7 HB3 ARG 23 - HA LYS 31 far 0 83 0 - 7.1-20.6 HB2 LYS 36 - HA LYS 26 far 0 99 0 - 7.2-24.7 HB3 LYS 24 - HA LYS 31 far 0 89 0 - 7.6-18.1 HB2 LYS 36 - HA LYS 19 far 0 100 0 - 7.9-35.2 HB2 CYS 79 - HA LYS 36 far 0 39 0 - 8.5-17.2 HB2 CYS 79 - HA LYS 19 far 0 65 0 - 8.5-37.3 HB3 LYS 19 - HA LYS 36 far 0 71 0 - 8.6-35.4 HB3 LEU 103 - HA LYS 26 far 0 84 0 - 8.8-25.1 HB3 LEU 98 - HA LYS 26 far 0 64 0 - 9.6-29.2 Violated in 0 structures by 0.00 A. Peak 241 from cnoeabs.peaks (1.36, 4.27, 56.54 ppm; 3.49 A): 4 out of 51 assignments used, quality = 1.00: * HG2 LYS 19 + HA LYS 19 OK 98 100 100 98 2.3-3.7 4.2=59, 6151/3.0=42...(41) HG3 LYS 26 + HA LYS 26 OK 86 87 100 98 2.6-3.9 4.0=64, 6253/2.9=41...(30) HG2 LYS 36 + HA LYS 36 OK 57 58 100 99 2.3-3.8 4.1=60, 6394/3.0=47...(31) HG3 LYS 31 + HA LYS 31 OK 53 55 100 96 2.0-4.2 3.8=77, 1.8/822=21...(22) HG2 LYS 24 - HA LYS 19 poor 19 92 35 59 2.2-15.3 1.8/822=5, 271=5, ~281=2...(40) QB ALA 28 - HA LYS 26 poor 19 84 40 57 3.8-7.4 6265/3.6=19, ~10769=18...(9) HG3 LYS 31 - HA LYS 26 poor 17 67 25 - 2.3-14.5 QB ALA 21 - HA LYS 19 poor 15 76 70 28 3.4-6.4 6163/3.6=12, 2.9/6180=8...(5) QB ALA 12 - HA LYS 19 far 15 100 15 - 3.4-15.1 HG3 LYS 26 - HA LYS 31 far 11 74 15 - 4.5-16.0 QB ALA 15 - HA LYS 31 far 11 72 15 - 1.9-22.8 QB ALA 21 - HA LYS 36 far 5 46 10 - 4.3-27.9 HG2 LYS 24 - HA LYS 26 far 5 91 5 - 4.2-10.1 HG2 LYS 19 - HA LYS 31 far 4 89 5 - 4.9-26.6 QB ALA 29 - HA LYS 26 far 4 89 5 - 5.0-9.8 QB ALA 12 - HA LYS 31 far 4 88 5 - 4.3-22.8 QB ALA 15 - HA LYS 19 far 4 87 5 - 3.6-11.2 QB ALA 110 - HA LYS 26 far 4 85 5 - 3.4-31.5 QB ALA 109 - HA LYS 26 far 4 72 5 - 4.0-28.9 HG3 LYS 26 - HA LYS 36 far 3 56 5 - 4.9-27.4 QB ALA 108 - HA LYS 26 far 0 81 0 - 5.2-27.3 QB ALA 28 - HA LYS 19 far 0 85 0 - 5.3-19.3 QB ALA 28 - HA LYS 31 far 0 70 0 - 5.5-7.8 HG3 LYS 31 - HA LYS 19 far 0 68 0 - 5.5-23.5 HB2 LEU 42 - HA LYS 36 far 0 61 0 - 5.6-11.0 QB ALA 29 - HA LYS 36 far 0 58 0 - 5.6-13.8 QB ALA 15 - HA LYS 26 far 0 85 0 - 5.6-18.8 HG3 LYS 31 - HA LYS 36 far 0 41 0 - 5.9-16.7 QB ALA 46 - HA LYS 36 far 0 46 0 - 6.0-13.3 QB ALA 29 - HA LYS 31 far 0 75 0 - 6.1-7.3 HG2 LYS 19 - HA LYS 26 far 0 100 0 - 6.3-22.3 HG2 LYS 36 - HA LYS 19 far 0 90 0 - 6.5-33.1 HG2 LYS 24 - HA LYS 31 far 0 77 0 - 6.7-19.6 QB ALA 110 - HA LYS 19 far 0 87 0 - 6.8-43.3 QB ALA 21 - HA LYS 31 far 0 61 0 - 6.9-19.5 HG2 LYS 24 - HA LYS 36 far 0 59 0 - 7.0-29.4 QB ALA 12 - HA LYS 26 far 0 99 0 - 7.0-18.9 HG2 LYS 36 - HA LYS 31 far 0 75 0 - 7.1-11.7 HG2 LYS 36 - HA LYS 26 far 0 89 0 - 7.4-22.3 HG2 LYS 19 - HA LYS 36 far 0 71 0 - 7.5-37.3 QB ALA 108 - HA LYS 31 far 0 68 0 - 7.7-25.8 QB ALA 109 - HA LYS 19 far 0 73 0 - 7.8-40.6 QB ALA 29 - HA LYS 19 far 0 90 0 - 8.0-19.1 HG3 LYS 26 - HA LYS 19 far 0 89 0 - 8.0-21.2 QB ALA 21 - HA LYS 26 far 0 75 0 - 8.0-12.1 QB ALA 28 - HA LYS 36 far 0 53 0 - 8.4-17.1 QB ALA 108 - HA LYS 19 far 0 83 0 - 8.5-39.5 QB ALA 15 - HA LYS 36 far 0 55 0 - 8.6-28.8 QB ALA 12 - HA LYS 36 far 0 69 0 - 9.0-27.7 QB ALA 46 - HA LYS 26 far 0 75 0 - 9.0-18.3 QB ALA 109 - HA LYS 31 far 0 59 0 - 9.1-27.0 Violated in 0 structures by 0.00 A. Peak 242 from cnoeabs.peaks (1.44, 4.27, 56.54 ppm; 3.86 A): 7 out of 27 assignments used, quality = 1.00: * HG3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.6-4.0 4.2=80, 6152/3.0=44...(40) HG2 LYS 26 + HA LYS 26 OK 95 95 100 100 2.3-4.1 4.0=87, 6252/2.9=61...(31) HG2 LYS 31 + HA LYS 31 OK 89 89 100 100 2.1-4.2 3.8=100 HG3 LYS 36 + HA LYS 36 OK 46 46 100 100 3.0-4.2 4.1=82, 6395/3.0=48...(27) HG13 ILE 32 + HA LYS 31 OK 37 88 45 94 4.2-6.8 919/6342=68, 6333/3.0=21...(20) HG3 LYS 24 + HA LYS 19 OK 24 100 40 60 1.9-15.2 822=7, 1.8/271=4...(18) HG2 LYS 31 + HA LYS 26 OK 24 100 30 80 3.2-15.5 822=8, 3.0/595=5...(39) HG13 ILE 32 - HA LYS 26 poor 13 99 25 53 3.0-13.3 2.1/10753=11, 919/798=9...(15) HG2 LYS 26 - HA LYS 31 far 12 83 15 - 4.3-17.0 HG3 LYS 19 - HA LYS 26 far 5 100 5 - 5.3-21.7 HG3 LYS 19 - HA LYS 31 far 4 89 5 - 4.9-27.9 HG13 ILE 32 - HA LYS 36 far 3 69 5 - 5.2-12.3 HG2 LYS 26 - HA LYS 36 far 3 64 5 - 4.1-27.7 HG2 LYS 31 - HA LYS 36 far 0 70 0 - 5.4-17.1 HG3 LYS 24 - HA LYS 26 far 0 100 0 - 5.5-9.6 HG3 LYS 36 - HA LYS 31 far 0 61 0 - 5.5-12.3 HG2 LYS 31 - HA LYS 19 far 0 100 0 - 5.8-24.5 HG3 LYS 36 - HA LYS 26 far 0 75 0 - 5.8-22.9 QB ALA 34 - HA LYS 36 far 0 43 0 - 6.0-6.7 HG3 LYS 24 - HA LYS 31 far 0 89 0 - 6.1-18.0 HG3 LYS 36 - HA LYS 19 far 0 76 0 - 6.6-33.2 HG3 LYS 24 - HA LYS 36 far 0 70 0 - 6.7-27.7 QB ALA 34 - HA LYS 26 far 0 69 0 - 6.9-19.1 HG2 LYS 26 - HA LYS 19 far 0 97 0 - 7.6-22.5 QB ALA 34 - HA LYS 31 far 0 57 0 - 7.9-10.1 HG3 LYS 19 - HA LYS 36 far 0 71 0 - 8.1-37.0 HG13 ILE 32 - HA LYS 19 far 0 100 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 243 from cnoeabs.peaks (1.65, 4.27, 56.54 ppm; 4.55 A): 14 out of 48 assignments used, quality = 1.00: HD3 LYS 19 + HA LYS 19 OK 99 100 100 99 2.0-4.8 5.2=68, ~6151=32...(43) * HD2 LYS 19 + HA LYS 19 OK 99 100 100 99 2.0-4.5 5.2=68, ~6151=32...(43) HD3 LYS 26 + HA LYS 26 OK 97 97 100 100 2.1-5.1 5.0=76, ~6252=40...(32) HD2 LYS 26 + HA LYS 26 OK 95 95 100 100 2.1-5.4 5.0=76, ~6252=40...(33) HD3 LYS 31 + HA LYS 31 OK 82 83 100 99 2.0-4.9 5.2=66, ~6332=31...(37) HD2 LYS 31 + HA LYS 31 OK 81 81 100 99 2.0-5.4 5.2=66, ~6332=31...(37) HD3 LYS 36 + HA LYS 36 OK 50 50 100 100 3.0-5.3 5.3=64, ~6395=38...(32) HD2 LYS 36 + HA LYS 36 OK 50 50 100 100 3.5-5.3 5.3=64, ~6395=38...(32) HD3 LYS 24 + HA LYS 19 OK 34 97 40 88 2.2-14.1 3.0/822=6, 3.0/241=5...(89) HD2 LYS 24 + HA LYS 19 OK 31 96 35 92 3.3-14.3 3.0/822=6, 3.0/241=5...(125) HD3 LYS 26 + HA LYS 31 OK 29 85 35 99 4.2-17.5 6336/3.0=6, ~6335=4...(188) HD3 LYS 31 + HA LYS 26 OK 27 95 30 96 4.2-13.7 2.9/822=6, 3.5/239=6...(163) HD2 LYS 31 + HA LYS 26 OK 27 94 30 94 2.5-14.0 2.9/822=6, 3.5/239=6...(132) HD2 LYS 26 + HA LYS 31 OK 20 83 25 99 4.7-17.2 6336/3.0=6, ~6336=5...(194) HD2 LYS 36 - HA LYS 31 far 10 66 15 - 4.5-11.5 HD3 LYS 26 - HA LYS 36 far 7 66 10 - 5.8-27.5 HD2 LYS 26 - HA LYS 36 far 6 64 10 - 4.9-28.2 HD3 LYS 24 - HA LYS 26 far 5 95 5 - 4.6-10.7 HD2 LYS 24 - HA LYS 26 far 5 94 5 - 6.0-10.6 HD2 LYS 19 - HA LYS 31 far 4 89 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 4 89 5 - 3.5-28.9 HG3 ARG 23 - HA LYS 19 far 4 76 5 - 5.1-11.2 HG3 ARG 23 - HA LYS 26 far 4 75 5 - 5.9-12.3 HD3 LYS 36 - HA LYS 31 far 3 66 5 - 5.5-11.8 HD2 LYS 24 - HA LYS 36 far 3 63 5 - 6.0-27.3 HG3 ARG 23 - HA LYS 36 far 2 46 5 - 5.1-28.6 HD3 LYS 26 - HA LYS 19 far 0 98 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 69 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 100 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 63 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 79 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 51 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 79 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 97 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 64 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 64 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 97 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 81 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 96 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 99 0 - 7.8-30.2 HG3 ARG 23 - HA LYS 31 far 0 61 0 - 7.8-22.1 HD3 LYS 24 - HA LYS 31 far 0 83 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 35 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 81 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 81 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 68 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 71 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 244 from cnoeabs.peaks (1.65, 4.27, 56.54 ppm; 4.55 A): 14 out of 48 assignments used, quality = 1.00: * HD3 LYS 19 + HA LYS 19 OK 99 100 100 99 2.0-4.8 5.2=68, ~6151=32...(43) HD2 LYS 19 + HA LYS 19 OK 99 100 100 99 2.0-4.5 5.2=68, ~6151=32...(43) HD3 LYS 26 + HA LYS 26 OK 97 97 100 100 2.1-5.1 5.0=76, ~6252=40...(32) HD2 LYS 26 + HA LYS 26 OK 95 95 100 100 2.1-5.4 5.0=76, ~6252=40...(33) HD3 LYS 31 + HA LYS 31 OK 82 83 100 99 2.0-4.9 5.2=66, ~6332=31...(37) HD2 LYS 31 + HA LYS 31 OK 81 81 100 99 2.0-5.4 5.2=66, ~6332=31...(37) HD3 LYS 36 + HA LYS 36 OK 50 50 100 100 3.0-5.3 5.3=64, ~6395=38...(32) HD2 LYS 36 + HA LYS 36 OK 50 50 100 100 3.5-5.3 5.3=64, ~6395=38...(32) HD3 LYS 24 + HA LYS 19 OK 34 97 40 88 2.2-14.1 3.0/822=6, 3.0/241=5...(89) HD2 LYS 24 + HA LYS 19 OK 31 96 35 92 3.3-14.3 3.0/822=6, 3.0/241=5...(125) HD3 LYS 26 + HA LYS 31 OK 29 85 35 99 4.2-17.5 6336/3.0=6, ~6335=4...(188) HD3 LYS 31 + HA LYS 26 OK 27 95 30 96 4.2-13.7 2.9/822=6, 3.5/239=6...(163) HD2 LYS 31 + HA LYS 26 OK 27 94 30 94 2.5-14.0 2.9/822=6, 3.5/239=6...(132) HD2 LYS 26 + HA LYS 31 OK 20 83 25 99 4.7-17.2 6336/3.0=6, ~6336=5...(194) HD2 LYS 36 - HA LYS 31 far 10 66 15 - 4.5-11.5 HD3 LYS 26 - HA LYS 36 far 7 66 10 - 5.8-27.5 HD2 LYS 26 - HA LYS 36 far 6 64 10 - 4.9-28.2 HD3 LYS 24 - HA LYS 26 far 5 95 5 - 4.6-10.7 HD2 LYS 24 - HA LYS 26 far 5 94 5 - 6.0-10.6 HD2 LYS 19 - HA LYS 31 far 4 89 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 4 89 5 - 3.5-28.9 HG3 ARG 23 - HA LYS 19 far 4 76 5 - 5.1-11.2 HG3 ARG 23 - HA LYS 26 far 4 75 5 - 5.9-12.3 HD3 LYS 36 - HA LYS 31 far 3 66 5 - 5.5-11.8 HD2 LYS 24 - HA LYS 36 far 3 63 5 - 6.0-27.3 HG3 ARG 23 - HA LYS 36 far 2 46 5 - 5.1-28.6 HD3 LYS 26 - HA LYS 19 far 0 98 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 69 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 100 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 63 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 79 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 51 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 79 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 97 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 64 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 64 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 97 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 81 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 96 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 99 0 - 7.8-30.2 HG3 ARG 23 - HA LYS 31 far 0 61 0 - 7.8-22.1 HD3 LYS 24 - HA LYS 31 far 0 83 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 35 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 81 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 81 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 68 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 71 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 248 from cnoeabs.peaks (8.35, 1.75, 32.77 ppm; 3.38 A): 4 out of 33 assignments used, quality = 1.00: * H LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-3.0 6149=100, 6159/6161=42...(38) H LYS 24 + HB2 LYS 24 OK 81 81 100 100 2.1-3.7 3.0/491=60, 4.1=57...(23) H LYS 26 + HB2 LYS 26 OK 79 80 100 99 2.1-3.6 6250=72, 6251/1.8=58...(34) H ALA 28 + HB2 LYS 26 OK 34 77 60 72 3.6-5.8 4.6/6262=32...(13) H GLY 14 - HB2 LYS 19 poor 18 89 20 - 3.4-16.3 H LYS 26 - HB2 LYS 31 poor 15 75 20 - 2.5-13.9 H LYS 24 - HB2 LYS 19 far 12 83 15 - 3.7-14.2 H LYS 26 - HB2 LYS 24 far 12 79 15 - 3.6-7.8 H LYS 19 - HB2 LYS 24 far 10 100 10 - 4.0-14.3 H LYS 19 - HB2 LYS 31 far 10 97 10 - 4.4-25.0 H LYS 24 - HB2 LYS 26 far 8 82 10 - 4.2-9.5 H GLY 17 - HB2 LYS 19 far 6 60 10 - 4.1-9.8 H LYS 26 - HB2 LYS 19 far 4 81 5 - 2.7-20.8 H ALA 28 - HB2 LYS 24 far 4 77 5 - 4.2-12.1 H ALA 28 - HB2 LYS 31 far 4 72 5 - 4.3-10.3 H GLY 17 - HB2 LYS 24 far 0 58 0 - 5.3-16.6 H GLY 17 - HB2 LYS 31 far 0 55 0 - 5.4-25.0 H LYS 24 - HB2 LYS 31 far 0 77 0 - 5.4-18.0 H ALA 28 - HB2 LYS 19 far 0 78 0 - 5.5-21.2 H LYS 19 - HB2 LYS 26 far 0 100 0 - 5.7-22.0 H HIS 3 - HB2 LYS 31 far 0 52 0 - 6.0-49.5 H GLY 14 - HB2 LYS 24 far 0 87 0 - 6.0-21.5 H GLY 14 - HB2 LYS 31 far 0 83 0 - 6.5-24.8 H GLU 44 - HB2 LYS 39 far 0 44 0 - 7.7-9.0 H GLU 44 - HB2 LYS 26 far 0 90 0 - 7.9-26.2 H GLU 44 - HB2 LYS 24 far 0 89 0 - 7.9-29.1 H TYR 72 - HB2 LYS 39 far 0 29 0 - 8.7-13.7 H GLU 44 - HB2 LYS 31 far 0 85 0 - 9.0-21.1 H HIS 3 - HB2 LYS 26 far 0 56 0 - 9.2-55.6 H LYS 19 - HB2 LYS 39 far 0 54 0 - 9.4-38.8 H LYS 24 - HB2 LYS 39 far 0 39 0 - 9.5-30.0 H TYR 72 - HB2 LYS 24 far 0 64 0 - 9.5-22.9 H GLY 17 - HB2 LYS 26 far 0 59 0 - 9.6-22.8 Violated in 0 structures by 0.00 A. Peak 249 from cnoeabs.peaks (4.27, 1.75, 32.77 ppm; 3.28 A): 6 out of 71 assignments used, quality = 1.00: * HA LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 31 + HB2 LYS 31 OK 93 93 100 100 2.3-3.0 3.0=100 HA GLN 27 + HB2 LYS 26 OK 58 75 85 92 3.8-5.8 3.0/6262=52, ~6263=28...(23) HA THR 25 + HB2 LYS 24 OK 33 72 50 92 3.9-6.1 3.0/6232=42, ~6233=24...(23) HA LYS 26 + HB2 LYS 31 OK 21 97 40 53 2.0-13.6 595=7, 798/4.6=5...(27) HA LYS 31 - HB2 LYS 26 poor 19 97 20 - 4.1-14.6 HA ARG 23 - HB2 LYS 26 poor 17 84 20 - 2.1-11.0 HA LEU 22 - HB2 LYS 24 far 15 99 15 - 3.7-8.4 HA ALA 16 - HB2 LYS 19 far 10 98 10 - 2.8-10.3 HA ALA 15 - HB2 LYS 19 far 9 87 10 - 2.0-12.9 HA ALA 21 - HB2 LYS 24 far 7 74 10 - 3.8-10.8 HA THR 25 - HB2 LYS 26 far 7 73 10 - 4.4-6.5 HA THR 18 - HB2 LYS 19 far 7 71 10 - 4.6-6.1 HA THR 18 - HB2 LYS 24 far 7 69 10 - 3.7-15.2 HA THR 25 - HB2 LYS 31 far 7 68 10 - 2.3-14.6 HA LYS 19 - HB2 LYS 24 lone 5 100 30 17 2.2-13.5 822/2.9=3, 241/2.9=3...(6) HA LYS 26 - HB2 LYS 19 far 5 100 5 - 3.8-20.4 HA LYS 31 - HB2 LYS 19 far 5 97 5 - 2.8-25.6 HA ALA 16 - HB2 LYS 31 far 5 93 5 - 4.0-25.6 HA GLN 61 - HB2 LYS 26 far 5 92 5 - 3.8-23.1 HA ARG 23 - HB2 LYS 19 far 4 85 5 - 4.8-14.4 HA ALA 15 - HB2 LYS 31 far 4 81 5 - 4.3-23.9 HA ARG 23 - HB2 LYS 31 far 4 79 5 - 4.7-18.9 HA GLN 27 - HB2 LYS 24 far 4 74 5 - 4.6-11.1 HA THR 25 - HB2 LYS 19 far 4 73 5 - 4.7-19.1 HA THR 18 - HB2 LYS 31 far 3 65 5 - 4.4-25.6 HA LYS 36 - HB2 LYS 24 far 0 98 0 - 4.8-29.5 HA ARG 23 - HB2 LYS 24 far 0 83 0 - 4.9-6.5 HA ALA 12 - HB2 LYS 19 far 0 87 0 - 5.3-18.5 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 5.3-21.5 HA LYS 26 - HB2 LYS 24 far 0 99 0 - 5.4-8.8 HA ALA 110 - HB2 LYS 19 far 0 89 0 - 5.5-52.4 HA LYS 19 - HB2 LYS 31 far 0 97 0 - 5.5-26.5 HA ALA 28 - HB2 LYS 19 far 0 60 0 - 5.5-21.8 HA ALA 28 - HB2 LYS 26 far 0 59 0 - 5.6-8.0 HA GLN 27 - HB2 LYS 31 far 0 70 0 - 5.8-10.8 HA ALA 16 - HB2 LYS 24 far 0 97 0 - 5.9-18.1 HA ALA 109 - HB2 LYS 26 far 0 97 0 - 6.0-33.0 HA ALA 21 - HB2 LYS 19 far 0 76 0 - 6.0-8.4 HA ALA 21 - HB2 LYS 39 far 0 35 0 - 6.2-35.5 HA ALA 108 - HB2 LYS 26 far 0 97 0 - 6.2-31.7 HA GLN 61 - HB2 LYS 24 far 0 92 0 - 6.2-24.2 HA LYS 31 - HB2 LYS 24 far 0 96 0 - 6.3-18.8 HA LYS 36 - HB2 LYS 26 far 0 98 0 - 6.4-25.4 HA ALA 108 - HB2 LYS 24 far 0 96 0 - 6.4-38.3 HA ALA 15 - HB2 LYS 24 far 0 85 0 - 6.4-20.1 HA THR 18 - HB2 LYS 39 far 0 32 0 - 6.6-39.0 HA ALA 28 - HB2 LYS 24 far 0 58 0 - 6.6-12.7 HA ALA 28 - HB2 LYS 31 far 0 55 0 - 6.9-10.2 HA ALA 21 - HB2 LYS 26 far 0 75 0 - 6.9-15.5 HA LEU 22 - HB2 LYS 26 far 0 100 0 - 7.0-13.1 HA ALA 12 - HB2 LYS 31 far 0 81 0 - 7.0-25.5 HA ALA 21 - HB2 LYS 31 far 0 70 0 - 7.4-20.3 HA ALA 110 - HB2 LYS 26 far 0 88 0 - 7.5-34.3 HA GLN 61 - HB2 LYS 31 far 0 88 0 - 7.7-22.8 HA LEU 22 - HB2 LYS 19 far 0 100 0 - 7.8-10.4 HA ALA 12 - HB2 LYS 24 far 0 85 0 - 7.8-22.2 HA GLN 27 - HB2 LYS 19 far 0 76 0 - 7.8-21.0 HA ALA 15 - HB2 LYS 26 far 0 86 0 - 7.9-25.3 HA LYS 36 - HB2 LYS 31 far 0 94 0 - 8.0-15.2 HA LYS 36 - HB2 LYS 39 far 0 52 0 - 8.0-12.5 HA LYS 36 - HB2 LYS 19 far 0 99 0 - 8.1-34.9 HA THR 18 - HB2 LYS 26 far 0 70 0 - 8.2-20.4 HA ALA 109 - HB2 LYS 24 far 0 96 0 - 8.3-40.7 HA LYS 19 - HB2 LYS 39 far 0 54 0 - 8.4-39.1 HA LEU 22 - HB2 LYS 31 far 0 97 0 - 8.7-20.5 HA ALA 108 - HB2 LYS 19 far 0 97 0 - 9.0-49.4 HA ALA 109 - HB2 LYS 19 far 0 97 0 - 9.2-51.5 HA LEU 22 - HB2 LYS 39 far 0 54 0 - 9.9-31.8 HA SER 74 - HB2 LYS 31 far 0 68 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 250 from cnoeabs.peaks (1.75, 1.75, 32.77 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 HB2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 99 99 - 100 HB2 LYS 31 + HB2 LYS 31 OK 95 95 - 100 HB2 LYS 39 + HB2 LYS 39 OK 49 49 - 100 Peak 251 from cnoeabs.peaks (1.81, 1.75, 32.77 ppm; 2.50 A): 4 out of 35 assignments used, quality = 1.00: * HB3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 31 + HB2 LYS 31 OK 97 97 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB2 LYS 24 far 15 100 15 - 1.9-15.0 HB3 ARG 23 - HB2 LYS 26 far 14 96 15 - 2.2-12.8 HB3 LYS 31 - HB2 LYS 26 poor 14 100 35 41 1.9-14.9 617=3, 6332/799=3...(26) HB3 LYS 26 - HB2 LYS 31 poor 9 95 25 38 2.0-14.1 6332/6331=3, 3.0/639=2...(11) HB3 LYS 31 - HB2 LYS 19 far 5 100 5 - 1.9-25.4 HB3 LYS 26 - HB2 LYS 19 far 5 99 5 - 3.6-22.7 HB2 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.3-29.5 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 4.0-14.4 HB ILE 32 - HB2 LYS 26 far 0 99 0 - 4.3-15.5 HB3 LYS 19 - HB2 LYS 26 far 0 100 0 - 4.5-22.1 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 4.7-10.3 HB3 LYS 19 - HB2 LYS 31 far 0 97 0 - 4.8-27.2 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 4.9-18.1 HB2 LYS 36 - HB2 LYS 26 far 0 99 0 - 5.0-25.1 HB ILE 32 - HB2 LYS 24 far 0 99 0 - 5.1-20.1 HB3 ARG 23 - HB2 LYS 24 far 0 95 0 - 5.2-7.4 HB3 LYS 26 - HB2 LYS 24 far 0 98 0 - 5.2-10.9 HB3 ARG 23 - HB2 LYS 31 far 0 92 0 - 5.4-20.6 HB ILE 32 - HB2 LYS 31 far 0 95 0 - 5.5-7.0 HB3 LEU 98 - HB2 LYS 24 far 0 64 0 - 5.6-33.1 HB2 CYS 79 - HB2 LYS 39 far 0 29 0 - 5.7-8.9 HB3 ARG 23 - HB2 LYS 19 far 0 97 0 - 6.1-14.6 HB3 LYS 24 - HB2 LYS 31 far 0 97 0 - 6.1-18.4 HB2 LYS 36 - HB2 LYS 31 far 0 96 0 - 6.2-14.4 HB3 LEU 103 - HB2 LYS 26 far 0 84 0 - 7.8-23.4 HB3 LEU 98 - HB2 LYS 26 far 0 65 0 - 8.1-28.2 HB ILE 32 - HB2 LYS 19 far 0 99 0 - 8.3-25.2 HB3 ARG 135 - HB2 LYS 39 far 0 53 0 - 8.4-15.3 HB2 LEU 100 - HB2 LYS 26 far 0 97 0 - 8.8-21.4 HB2 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.5-34.1 HB2 CYS 79 - HB2 LYS 19 far 0 65 0 - 9.5-37.6 Violated in 0 structures by 0.00 A. Peak 252 from cnoeabs.peaks (1.36, 1.75, 32.77 ppm; 3.34 A): 5 out of 61 assignments used, quality = 1.00: * HG2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 90 90 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HB2 LYS 31 OK 63 63 100 100 2.4-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 31 OK 26 83 40 78 2.0-14.6 272=7, 1.8/628=6...(46) HG2 LYS 19 - HB2 LYS 24 poor 20 100 20 - 3.4-16.9 HG2 LYS 24 - HB2 LYS 19 poor 18 92 20 - 3.7-16.8 QB ALA 12 - HB2 LYS 19 far 15 100 15 - 3.2-16.2 QB ALA 15 - HB2 LYS 19 far 13 87 15 - 3.2-11.8 QB ALA 28 - HB2 LYS 24 far 12 83 15 - 3.6-11.7 QB ALA 15 - HB2 LYS 31 far 12 81 15 - 2.9-21.5 HG3 LYS 31 - HB2 LYS 26 far 10 67 15 - 3.1-14.0 HG3 LYS 31 - HB2 LYS 19 far 7 68 10 - 2.7-23.1 HG3 LYS 31 - HB2 LYS 24 far 7 67 10 - 3.7-17.1 QB ALA 12 - HB2 LYS 31 far 5 96 5 - 4.2-20.5 HG2 LYS 24 - HB2 LYS 26 far 5 91 5 - 2.2-11.2 QB ALA 29 - HB2 LYS 24 far 4 89 5 - 4.1-11.9 HG2 LYS 36 - HB2 LYS 24 far 4 89 5 - 4.2-27.3 QB ALA 110 - HB2 LYS 26 far 4 86 5 - 4.6-29.1 QB ALA 15 - HB2 LYS 24 far 4 85 5 - 4.0-16.1 QB ALA 108 - HB2 LYS 26 far 4 82 5 - 4.5-25.6 QB ALA 108 - HB2 LYS 24 far 4 81 5 - 4.3-30.9 QB ALA 28 - HB2 LYS 31 far 4 79 5 - 3.9-8.1 QB ALA 28 - HB2 LYS 26 far 0 84 0 - 4.9-6.6 HB2 LEU 42 - HB2 LYS 39 far 0 46 0 - 4.9-6.9 QB ALA 29 - HB2 LYS 26 far 0 90 0 - 5.0-8.6 QB ALA 28 - HB2 LYS 19 far 0 85 0 - 5.0-20.0 QB ALA 21 - HB2 LYS 24 far 0 74 0 - 5.0-9.8 QB ALA 21 - HB2 LYS 19 far 0 76 0 - 5.1-7.3 HG2 LYS 19 - HB2 LYS 31 far 0 97 0 - 5.2-27.3 QB ALA 110 - HB2 LYS 19 far 0 87 0 - 5.2-44.1 HG3 LYS 26 - HB2 LYS 24 far 0 87 0 - 5.4-11.1 HG2 LYS 36 - HB2 LYS 26 far 0 90 0 - 5.5-22.8 HG2 LYS 24 - HB2 LYS 31 far 0 86 0 - 5.6-19.7 QB ALA 29 - HB2 LYS 31 far 0 85 0 - 5.6-7.8 HG3 LYS 26 - HB2 LYS 19 far 0 89 0 - 6.0-22.5 QB ALA 12 - HB2 LYS 24 far 0 99 0 - 6.0-16.8 QB ALA 29 - HB2 LYS 19 far 0 90 0 - 6.4-20.3 HG2 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.4-24.5 QB ALA 21 - HB2 LYS 39 far 0 35 0 - 6.5-30.8 HG2 LYS 36 - HB2 LYS 31 far 0 85 0 - 6.5-12.1 QB ALA 46 - HB2 LYS 26 far 0 75 0 - 6.6-18.1 QB ALA 109 - HB2 LYS 26 far 0 73 0 - 6.6-26.4 QB ALA 109 - HB2 LYS 24 far 0 72 0 - 6.6-32.7 QB ALA 21 - HB2 LYS 26 far 0 75 0 - 6.9-14.0 HG3 LYS 95 - HB2 LYS 24 far 0 79 0 - 7.0-33.7 QB ALA 21 - HB2 LYS 31 far 0 70 0 - 7.1-18.9 QB ALA 109 - HB2 LYS 19 far 0 73 0 - 7.3-41.6 HG2 LYS 36 - HB2 LYS 19 far 0 90 0 - 7.3-32.2 QB ALA 15 - HB2 LYS 26 far 0 86 0 - 7.6-20.4 HG2 LYS 95 - HB2 LYS 24 far 0 74 0 - 7.9-33.5 HG2 LYS 24 - HB2 LYS 39 far 0 45 0 - 8.0-31.6 QB ALA 46 - HB2 LYS 19 far 0 76 0 - 8.3-29.5 QB ALA 12 - HB2 LYS 26 far 0 99 0 - 8.3-21.0 QB ALA 46 - HB2 LYS 39 far 0 35 0 - 8.6-10.2 QB ALA 12 - HB2 LYS 39 far 0 53 0 - 8.9-34.9 QB ALA 108 - HB2 LYS 19 far 0 83 0 - 9.4-40.4 HG2 LYS 36 - HB2 LYS 39 far 0 44 0 - 9.5-14.0 HB3 LEU 100 - HB2 LYS 26 far 0 91 0 - 9.6-21.1 QB ALA 108 - HB2 LYS 31 far 0 77 0 - 9.7-26.1 QB ALA 110 - HB2 LYS 24 far 0 85 0 - 9.9-36.0 Violated in 0 structures by 0.00 A. Peak 253 from cnoeabs.peaks (1.44, 1.75, 32.77 ppm; 3.47 A): 6 out of 32 assignments used, quality = 1.00: * HG3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 31 OK 24 92 30 86 1.9-15.6 628=8, 629/1.8=7...(64) HG2 LYS 31 + HB2 LYS 26 OK 22 100 25 86 3.5-15.2 823=6, 284/1.8=4...(79) HG13 ILE 32 - HB2 LYS 26 poor 19 99 35 55 2.7-13.3 919/6343=10, 6264/6262=8...(19) HG13 ILE 32 - HB2 LYS 31 poor 19 96 20 - 4.2-6.6 HG3 LYS 24 - HB2 LYS 19 poor 16 100 25 64 3.6-16.4 823=4, 822/3.0=3...(24) HG2 LYS 31 - HB2 LYS 19 far 10 100 10 - 3.6-24.3 HG3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.9-11.4 HG3 LYS 19 - HB2 LYS 24 far 5 100 5 - 2.7-16.0 HG2 LYS 31 - HB2 LYS 24 far 5 99 5 - 4.1-17.7 HG3 LYS 19 - HB2 LYS 31 far 5 97 5 - 4.6-28.5 HG3 LYS 36 - HB2 LYS 26 far 4 75 5 - 3.8-23.1 HG3 LYS 36 - HB2 LYS 24 far 4 74 5 - 2.7-27.9 HG3 LYS 36 - HB2 LYS 31 far 4 70 5 - 4.9-12.3 HG2 LYS 26 - HB2 LYS 24 far 0 95 0 - 5.2-11.5 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 5.6-18.1 HG3 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.0-24.0 QB ALA 34 - HB2 LYS 24 far 0 69 0 - 6.0-20.9 HG2 LYS 26 - HB2 LYS 19 far 0 97 0 - 6.0-23.9 QB ALA 34 - HB2 LYS 39 far 0 32 0 - 6.4-12.3 HG13 ILE 32 - HB2 LYS 19 far 0 100 0 - 6.7-23.1 HG3 LYS 24 - HB2 LYS 31 far 0 97 0 - 6.7-18.1 QB ALA 34 - HB2 LYS 26 far 0 70 0 - 7.2-17.5 HG3 LYS 36 - HB2 LYS 19 far 0 76 0 - 7.5-32.1 QB ALA 34 - HB2 LYS 31 far 0 65 0 - 8.9-11.3 QB ALA 34 - HB2 LYS 19 far 0 71 0 - 9.1-28.2 HG2 LYS 86 - HB2 LYS 39 far 0 35 0 - 9.7-16.0 HG3 LYS 24 - HB2 LYS 39 far 0 54 0 - 9.7-30.3 HG3 LYS 19 - HB2 LYS 39 far 0 54 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 254 from cnoeabs.peaks (1.65, 1.75, 32.77 ppm; 4.26 A): 14 out of 59 assignments used, quality = 1.00: * HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.1-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 95 95 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 1.9-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 92 92 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 90 90 100 100 2.9-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 31 OK 40 93 45 96 2.4-15.6 2.9/639=7, 2.9/628=7...(107) HD2 LYS 26 + HB2 LYS 31 OK 36 92 40 97 3.3-16.0 2.9/639=7, 2.9/628=7...(142) HG LEU 43 + HB2 LYS 39 OK 31 53 60 98 4.3-7.0 ~11901=44, ~9119=32...(20) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.3-3.5 3.6=100 HD3 LYS 31 + HB2 LYS 26 OK 24 96 25 98 4.1-13.7 10771/10770=10...(190) HD3 LYS 24 + HB2 LYS 19 OK 22 97 25 93 4.7-15.4 3.0/823=4, 2632/1.8=3...(132) HD2 LYS 31 - HB2 LYS 26 poor 19 95 20 - 4.5-13.8 HD2 LYS 19 - HB2 LYS 24 poor 13 100 30 43 4.1-16.1 305=2, 3.0/514=1...(5) HD3 LYS 19 - HB2 LYS 24 poor 12 100 25 46 2.7-16.8 3.0/514=1, 1.8/305=1...(5) HG3 ARG 23 - HB2 LYS 26 far 11 75 15 - 4.8-14.3 HD2 LYS 24 - HB2 LYS 19 far 10 96 10 - 3.7-16.1 HB2 LEU 98 - HB2 LYS 24 far 5 99 5 - 5.1-34.5 HD3 LYS 26 - HB2 LYS 19 far 5 98 5 - 5.6-21.9 HD2 LYS 19 - HB2 LYS 31 far 5 97 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 97 5 - 5.5-29.5 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-23.5 HD3 LYS 24 - HB2 LYS 26 far 5 96 5 - 2.0-12.6 HD2 LYS 31 - HB2 LYS 19 far 5 96 5 - 5.1-23.0 HD2 LYS 24 - HB2 LYS 26 far 5 95 5 - 3.6-12.6 HD2 LYS 31 - HB2 LYS 24 far 5 94 5 - 4.7-17.2 HD2 LYS 36 - HB2 LYS 26 far 4 80 5 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 24 far 4 79 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 4 79 5 - 4.2-25.9 HG3 ARG 23 - HB2 LYS 19 far 4 76 5 - 3.7-12.6 HD2 LYS 36 - HB2 LYS 31 far 4 75 5 - 5.5-12.6 HD3 LYS 31 - HB2 LYS 24 far 0 95 0 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 0 95 0 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 0 80 0 - 6.1-21.8 HD3 LYS 24 - HB2 LYS 31 far 0 92 0 - 6.2-19.4 HD2 LYS 26 - HB2 LYS 19 far 0 97 0 - 6.2-21.7 HG3 ARG 23 - HB2 LYS 31 far 0 70 0 - 6.2-21.9 HB2 LEU 98 - HB2 LYS 26 far 0 100 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 75 0 - 6.5-12.1 HG3 ARG 23 - HB2 LYS 24 far 0 74 0 - 6.6-8.9 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 90 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 97 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 37 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 49 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 37 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 96 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 81 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 58 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 100 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 81 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 54 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 99 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 48 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 50 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 255 from cnoeabs.peaks (1.65, 1.75, 32.77 ppm; 4.26 A): 14 out of 59 assignments used, quality = 1.00: HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-4.1 3.9=100 * HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.1-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 95 95 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 1.9-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 92 92 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 90 90 100 100 2.9-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 31 OK 40 93 45 96 2.4-15.6 2.9/639=7, 2.9/628=7...(107) HD2 LYS 26 + HB2 LYS 31 OK 36 92 40 97 3.3-16.0 2.9/639=7, 2.9/628=7...(142) HG LEU 43 + HB2 LYS 39 OK 31 53 60 98 4.3-7.0 ~11901=44, ~9119=32...(20) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.3-3.5 3.6=100 HD3 LYS 31 + HB2 LYS 26 OK 24 96 25 98 4.1-13.7 10771/10770=10...(190) HD3 LYS 24 + HB2 LYS 19 OK 22 97 25 93 4.7-15.4 3.0/823=4, 2632/1.8=3...(132) HD2 LYS 31 - HB2 LYS 26 poor 19 95 20 - 4.5-13.8 HD2 LYS 19 - HB2 LYS 24 poor 13 100 30 43 4.1-16.1 305=2, 3.0/514=1...(5) HD3 LYS 19 - HB2 LYS 24 poor 12 100 25 46 2.7-16.8 3.0/514=1, 1.8/305=1...(5) HG3 ARG 23 - HB2 LYS 26 far 11 75 15 - 4.8-14.3 HD2 LYS 24 - HB2 LYS 19 far 10 96 10 - 3.7-16.1 HB2 LEU 98 - HB2 LYS 24 far 5 99 5 - 5.1-34.5 HD3 LYS 26 - HB2 LYS 19 far 5 98 5 - 5.6-21.9 HD2 LYS 19 - HB2 LYS 31 far 5 97 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 97 5 - 5.5-29.5 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-23.5 HD3 LYS 24 - HB2 LYS 26 far 5 96 5 - 2.0-12.6 HD2 LYS 31 - HB2 LYS 19 far 5 96 5 - 5.1-23.0 HD2 LYS 24 - HB2 LYS 26 far 5 95 5 - 3.6-12.6 HD2 LYS 31 - HB2 LYS 24 far 5 94 5 - 4.7-17.2 HD2 LYS 36 - HB2 LYS 26 far 4 80 5 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 24 far 4 79 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 4 79 5 - 4.2-25.9 HG3 ARG 23 - HB2 LYS 19 far 4 76 5 - 3.7-12.6 HD2 LYS 36 - HB2 LYS 31 far 4 75 5 - 5.5-12.6 HD3 LYS 31 - HB2 LYS 24 far 0 95 0 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 0 95 0 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 0 80 0 - 6.1-21.8 HD3 LYS 24 - HB2 LYS 31 far 0 92 0 - 6.2-19.4 HD2 LYS 26 - HB2 LYS 19 far 0 97 0 - 6.2-21.7 HG3 ARG 23 - HB2 LYS 31 far 0 70 0 - 6.2-21.9 HB2 LEU 98 - HB2 LYS 26 far 0 100 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 75 0 - 6.5-12.1 HG3 ARG 23 - HB2 LYS 24 far 0 74 0 - 6.6-8.9 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 90 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 97 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 37 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 49 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 37 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 96 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 81 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 58 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 100 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 81 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 54 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 99 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 48 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 50 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 256 from cnoeabs.peaks (2.96, 1.75, 32.77 ppm; 6.80 A): 17 out of 50 assignments used, quality = 1.00: * HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.8-5.0 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.5 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.1-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.6-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 95 95 100 100 2.0-4.9 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 93 93 100 100 1.8-4.7 4.8=100 HE2 LYS 31 + HB2 LYS 26 OK 62 99 65 96 4.4-12.8 3.7/834=9, 3.7/823=8...(149) HE2 LYS 26 + HB2 LYS 31 OK 60 93 65 99 3.2-17.5 6337/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 60 93 65 99 3.4-17.3 6337/6331=10, 3.6/639=9...(180) HE3 LYS 31 + HB2 LYS 26 OK 51 97 55 96 4.2-12.2 3.7/834=9, 3.7/823=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 49 100 50 98 5.3-18.0 4.0/823=6, 1228=6...(187) HE2 LYS 24 + HB2 LYS 19 OK 34 100 35 98 4.1-17.5 4.0/823=6, 1.8/1217=5...(186) HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.0-4.6 4.9=100 HE2 LYS 19 + HB2 LYS 24 OK 28 100 35 80 3.8-18.2 6.4/790=3, 532/2.9=2...(79) HE3 LYS 19 + HB2 LYS 24 OK 24 99 35 70 4.9-17.5 532/2.9=3, 6.4/790=3...(58) HE3 LYS 24 - HB2 LYS 26 poor 20 100 20 - 4.4-13.6 HE3 LYS 36 - HB2 LYS 31 poor 20 97 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE2 LYS 36 - HB2 LYS 31 poor 13 97 35 39 3.5-12.9 6337/6331=3, ~2634=1...(5) HE2 LYS 26 - HB2 LYS 24 poor 11 97 50 22 5.6-12.3 9587/11151=7, 3.6/834=2 HE2 LYS 36 - HB2 LYS 24 far 10 99 10 - 1.9-26.5 HE2 LYS 24 - HB2 LYS 26 far 10 100 10 - 4.0-13.1 HE2 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.2-25.0 HE2 LYS 31 - HB2 LYS 24 far 10 99 10 - 6.9-18.8 HE3 LYS 31 - HB2 LYS 19 far 10 98 10 - 5.9-25.9 HE2 LYS 26 - HB2 LYS 19 far 10 98 10 - 6.8-24.3 HE2 LYS 19 - HB2 LYS 31 far 10 97 10 - 7.3-27.5 HE3 LYS 31 - HB2 LYS 24 far 10 97 10 - 6.7-18.7 HE2 LYS 24 - HB2 LYS 31 far 10 97 10 - 4.9-20.2 HE3 LYS 24 - HB2 LYS 31 far 10 97 10 - 5.8-20.7 HE3 LYS 19 - HB2 LYS 31 far 10 95 10 - 7.1-27.9 HE3 LYS 26 - HB2 LYS 24 poor 10 97 35 28 5.3-12.3 9587/11151=10, 3.6/834=2 HE2 LYS 36 - HB2 LYS 26 poor 9 100 35 26 3.3-22.3 10721/10748=3 HE3 LYS 36 - HB2 LYS 26 poor 9 100 40 22 4.9-22.7 10721/10748=3 HE3 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.6-27.4 HE3 LYS 19 - HB2 LYS 26 far 5 99 5 - 8.2-24.9 HE3 LYS 26 - HB2 LYS 19 far 5 98 5 - 8.0-24.1 HB2 CYS 45 - HB2 LYS 26 far 4 90 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 3 69 5 - 7.9-33.7 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 85 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 89 0 - 9.3-32.1 HG CYS 73 - HB2 LYS 39 far 0 36 0 - 9.5-14.6 HB2 CYS 45 - HB2 LYS 39 far 0 44 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 54 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 89 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 54 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 257 from cnoeabs.peaks (2.96, 1.75, 32.77 ppm; 6.80 A): 16 out of 48 assignments used, quality = 1.00: * HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.6-5.5 4.8=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 3.2-5.1 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.1-5.1 5.1=100 HE2 LYS 31 + HB2 LYS 31 OK 97 97 100 100 2.0-4.9 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 97 97 100 100 2.0-4.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 97 97 100 100 1.8-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 31 OK 62 97 65 99 3.2-17.5 6338/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 62 97 65 99 3.4-17.3 6338/6331=10, 3.6/639=9...(180) HE2 LYS 31 + HB2 LYS 26 OK 62 100 65 96 4.4-12.8 3.7/834=9, 3.7/823=8...(149) HE3 LYS 31 + HB2 LYS 26 OK 53 100 55 96 4.2-12.2 3.7/834=9, 3.7/823=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 49 100 50 98 5.3-18.0 4.0/823=6, 2634/1.8=5...(187) HE2 LYS 24 + HB2 LYS 19 OK 34 98 35 98 4.1-17.5 4.0/823=6, 1.8/1217=5...(186) HE2 LYS 19 + HB2 LYS 24 OK 28 99 35 80 3.8-18.2 6.4/790=3, 1025/2.9=2...(79) HE3 LYS 19 + HB2 LYS 24 OK 25 100 35 70 4.9-17.5 532/2.9=3, 6.4/790=3...(58) HE3 LYS 24 - HB2 LYS 26 poor 20 100 20 - 4.4-13.6 HE3 LYS 36 - HB2 LYS 31 poor 20 97 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE2 LYS 36 - HB2 LYS 31 poor 13 95 35 39 3.5-12.9 6337/6331=3, ~2634=1...(5) HE2 LYS 26 - HB2 LYS 24 poor 11 99 50 22 5.6-12.3 9587/11151=7, 3.6/834=2 HE2 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.2-25.0 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.9-25.9 HE2 LYS 26 - HB2 LYS 19 far 10 100 10 - 6.8-24.3 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 6.9-18.8 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 6.7-18.7 HE2 LYS 36 - HB2 LYS 24 far 10 98 10 - 1.9-26.5 HE2 LYS 24 - HB2 LYS 26 far 10 97 10 - 4.0-13.1 HE3 LYS 26 - HB2 LYS 24 poor 10 99 35 28 5.3-12.3 9587/11151=10, 3.6/834=2 HE3 LYS 19 - HB2 LYS 31 far 10 97 10 - 7.1-27.9 HE3 LYS 24 - HB2 LYS 31 far 10 97 10 - 5.8-20.7 HE2 LYS 19 - HB2 LYS 31 far 10 95 10 - 7.3-27.5 HE2 LYS 24 - HB2 LYS 31 far 9 93 10 - 4.9-20.2 HE3 LYS 36 - HB2 LYS 26 poor 9 100 40 22 4.9-22.7 10721/10748=3 HE2 LYS 36 - HB2 LYS 26 poor 9 99 35 26 3.3-22.3 10721/10748=3 HE3 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.6-27.4 HE3 LYS 26 - HB2 LYS 19 far 5 100 5 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 5 100 5 - 8.2-24.9 HB2 CYS 45 - HB2 LYS 26 far 4 77 5 - 7.3-23.2 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 99 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 72 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 96 0 - 9.3-32.1 HG CYS 73 - HB2 LYS 39 far 0 27 0 - 9.5-14.6 HB2 CYS 45 - HB2 LYS 39 far 0 36 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 52 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 77 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 54 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 258 from cnoeabs.peaks (8.06, 1.75, 32.77 ppm; 4.28 A): 1 out of 18 assignments used, quality = 1.00: * H VAL 20 + HB2 LYS 19 OK 100 100 100 100 2.6-4.3 6161=100, 6162/1.8=90...(18) H VAL 20 - HB2 LYS 24 poor 20 100 20 - 4.0-12.6 H VAL 20 - HB2 LYS 31 far 10 97 10 - 4.1-23.7 H VAL 20 - HB2 LYS 26 far 5 100 5 - 4.7-19.5 H LEU 48 - HB2 LYS 19 far 4 87 5 - 4.7-35.0 H LEU 48 - HB2 LYS 26 far 4 86 5 - 4.1-24.8 H ALA 108 - HB2 LYS 26 far 4 86 5 - 5.6-29.9 H LEU 103 - HB2 LYS 26 far 0 84 0 - 6.2-24.7 H CYS 79 - HB2 LYS 39 far 0 39 0 - 6.8-11.0 H ALA 109 - HB2 LYS 26 far 0 82 0 - 6.9-30.2 HD22 ASN 85 - HB2 LYS 39 far 0 40 0 - 7.7-16.5 H LEU 48 - HB2 LYS 24 far 0 85 0 - 7.9-29.1 H ALA 108 - HB2 LYS 24 far 0 85 0 - 8.4-37.1 H TYR 76 - HB2 LYS 39 far 0 39 0 - 8.4-11.2 H ALA 109 - HB2 LYS 24 far 0 81 0 - 8.8-37.9 H SER 130 - HB2 LYS 39 far 0 27 0 - 9.0-13.4 H VAL 20 - HB2 LYS 39 far 0 54 0 - 9.0-36.5 H ALA 108 - HB2 LYS 19 far 0 87 0 - 9.8-47.8 Violated in 0 structures by 0.00 A. Peak 259 from cnoeabs.peaks (8.35, 1.81, 32.77 ppm; 3.43 A): 4 out of 37 assignments used, quality = 1.00: * H LYS 19 + HB3 LYS 19 OK 100 100 100 100 3.5-4.0 6149/1.8=85, 3.9=66...(36) H LYS 24 + HB3 LYS 24 OK 82 82 100 100 2.1-3.7 3.0/482=65, 4.1=60...(22) H LYS 26 + HB3 LYS 26 OK 73 74 100 99 2.3-3.9 6251=71, 6250/1.8=64...(32) H LYS 86 + HB2 LYS 86 OK 64 64 100 99 2.1-2.7 4.0=64, 7140/1.8=58...(21) H LYS 24 - HB3 LYS 19 poor 17 83 20 - 2.4-13.6 H LYS 19 - HB3 LYS 31 far 10 100 10 - 3.3-24.1 H LYS 19 - HB3 LYS 24 far 10 100 10 - 3.6-14.3 H LYS 26 - HB3 LYS 31 poor 8 81 25 40 3.7-14.5 2.9/240=3, 6252/629=3...(22) H LYS 26 - HB3 LYS 24 far 8 79 10 - 4.4-8.0 H ALA 28 - HB3 LYS 31 far 8 78 10 - 4.1-10.9 H ALA 28 - HB3 LYS 26 far 7 72 10 - 4.2-7.4 H GLY 17 - HB3 LYS 31 far 6 60 10 - 3.9-24.9 H GLY 14 - HB3 LYS 19 far 4 89 5 - 4.3-17.1 H LYS 24 - HB3 LYS 31 far 4 83 5 - 4.1-17.4 H LYS 26 - HB3 LYS 19 far 4 81 5 - 3.0-20.1 H ALA 28 - HB3 LYS 19 far 4 78 5 - 4.5-22.0 H ALA 28 - HB3 LYS 24 far 4 77 5 - 3.7-13.3 H LYS 24 - HB3 LYS 26 far 4 76 5 - 4.8-9.9 H LYS 24 - HB2 LYS 36 far 0 77 0 - 5.1-28.9 H LYS 19 - HB3 LYS 26 far 0 96 0 - 5.1-21.9 H GLU 44 - HB2 LYS 36 far 0 85 0 - 5.6-13.3 H TYR 72 - HB2 LYS 36 far 0 61 0 - 5.8-13.0 H GLY 17 - HB3 LYS 19 far 0 60 0 - 5.8-10.6 H GLY 14 - HB3 LYS 24 far 0 88 0 - 5.9-21.7 H GLY 14 - HB3 LYS 31 far 0 89 0 - 6.0-25.0 H LYS 26 - HB2 LYS 36 far 0 75 0 - 6.2-26.0 H GLY 17 - HB3 LYS 24 far 0 59 0 - 6.3-16.3 H LYS 19 - HB2 LYS 36 far 0 97 0 - 7.4-34.5 H HIS 3 - HB3 LYS 31 far 0 57 0 - 7.6-50.0 H ALA 28 - HB2 LYS 36 far 0 73 0 - 7.6-21.1 H GLY 17 - HB2 LYS 36 far 0 55 0 - 7.7-35.0 H GLU 44 - HB3 LYS 26 far 0 84 0 - 8.1-27.2 H GLY 17 - HB3 LYS 26 far 0 54 0 - 8.2-22.5 H GLU 44 - HB3 LYS 24 far 0 89 0 - 9.3-27.4 H HIS 3 - HB2 LYS 86 far 0 32 0 - 9.3-74.5 H HIS 3 - HB2 LYS 36 far 0 53 0 - 9.4-54.5 H GLU 44 - HB3 LYS 19 far 0 90 0 - 9.6-35.5 Violated in 0 structures by 0.00 A. Peak 260 from cnoeabs.peaks (4.27, 1.81, 32.77 ppm; 3.29 A): 7 out of 84 assignments used, quality = 1.00: * HA LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HA LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HA LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HA GLN 27 + HB3 LYS 26 OK 32 69 50 92 4.1-5.6 3.0/6263=51, ~6262=29...(23) HA LYS 26 + HB3 LYS 31 OK 20 100 40 50 2.7-15.0 240=6, 790/1.8=5...(16) HA THR 25 + HB3 LYS 24 OK 20 72 30 92 4.2-6.5 3.0/6233=44, ~6232=24...(21) HA ARG 23 - HB3 LYS 26 poor 20 78 25 - 2.0-11.3 HA PHE 87 - HB2 LYS 86 poor 19 68 30 91 4.0-5.5 2.9/7156=36, ~7157=26...(19) HA LYS 31 - HB3 LYS 26 poor 18 92 20 - 4.4-15.8 HA ARG 23 - HB3 LYS 24 poor 17 84 20 - 4.4-6.2 HA ARG 23 - HB3 LYS 19 far 13 85 15 - 4.3-14.0 HA ALA 21 - HB3 LYS 24 far 11 75 15 - 3.5-10.5 HA THR 18 - HB3 LYS 24 far 7 70 10 - 4.0-14.9 HA LEU 22 - HB3 LYS 24 poor 6 100 25 23 4.2-7.6 6212/4.1=7, 11967/2.9=3...(9) HA LYS 19 - HB3 LYS 24 lone 5 100 30 18 2.0-13.2 822/2.9=3, 241/2.9=3...(6) HA LYS 19 - HB3 LYS 31 far 5 100 5 - 3.9-25.7 HA ALA 16 - HB3 LYS 31 far 5 98 5 - 3.3-26.4 HA ALA 16 - HB3 LYS 19 far 5 98 5 - 4.1-11.3 HA LYS 36 - HB3 LYS 24 far 5 98 5 - 4.3-28.6 HA LYS 31 - HB3 LYS 19 far 5 97 5 - 4.5-26.9 HA ALA 15 - HB3 LYS 19 far 4 87 5 - 3.1-13.8 HA GLN 61 - HB3 LYS 26 far 4 87 5 - 4.1-24.5 HA ALA 12 - HB3 LYS 19 far 4 87 5 - 4.1-19.2 HA ARG 23 - HB3 LYS 31 far 4 85 5 - 4.2-18.6 HA THR 25 - HB3 LYS 31 far 4 73 5 - 2.7-15.0 HA THR 25 - HB3 LYS 19 far 4 73 5 - 4.2-18.3 HA THR 18 - HB3 LYS 31 far 4 71 5 - 2.8-25.1 HA ALA 21 - HB2 LYS 36 far 4 71 5 - 4.2-30.8 HA GLN 27 - HB2 LYS 36 far 4 71 5 - 4.4-21.6 HA THR 25 - HB3 LYS 26 far 3 67 5 - 4.7-6.6 HA ARG 84 - HB2 LYS 86 far 0 52 0 - 4.8-5.5 HA ALA 15 - HB3 LYS 31 far 0 87 0 - 4.8-24.3 HA GLN 27 - HB3 LYS 24 far 0 75 0 - 4.9-11.9 HA ALA 110 - HB3 LYS 19 far 0 89 0 - 5.0-51.4 HA ALA 109 - HB3 LYS 26 far 0 92 0 - 5.0-34.1 HA LYS 26 - HB3 LYS 19 far 0 100 0 - 5.0-20.0 HA GLN 27 - HB3 LYS 31 far 0 76 0 - 5.1-11.6 HA ALA 21 - HB3 LYS 19 far 0 76 0 - 5.1-9.1 HA ALA 28 - HB3 LYS 19 far 0 60 0 - 5.2-22.5 HA LYS 31 - HB2 LYS 36 far 0 93 0 - 5.5-14.2 HA LYS 19 - HB3 LYS 26 far 0 96 0 - 5.6-21.5 HA THR 18 - HB3 LYS 19 far 0 71 0 - 5.6-6.6 HA ALA 28 - HB3 LYS 24 far 0 59 0 - 5.6-14.0 HA ALA 108 - HB3 LYS 26 far 0 92 0 - 5.7-32.7 HA ALA 110 - HB3 LYS 26 far 0 82 0 - 5.7-35.3 HA THR 18 - HB2 LYS 36 far 0 66 0 - 5.7-36.4 HA THR 25 - HB2 LYS 36 far 0 68 0 - 5.9-25.6 HA ALA 15 - HB3 LYS 24 far 0 86 0 - 5.9-19.8 HA ALA 12 - HB3 LYS 31 far 0 87 0 - 6.0-26.6 HA LYS 26 - HB3 LYS 24 far 0 100 0 - 6.1-8.8 HA LEU 22 - HB3 LYS 26 far 0 96 0 - 6.3-13.3 HA LEU 22 - HB3 LYS 19 far 0 100 0 - 6.5-9.9 HA ARG 23 - HB2 LYS 36 far 0 79 0 - 6.5-28.2 HA ALA 15 - HB3 LYS 26 far 0 80 0 - 6.6-24.8 HA LYS 36 - HB3 LYS 31 far 0 99 0 - 6.7-16.3 HA ALA 28 - HB3 LYS 26 far 0 54 0 - 6.7-9.1 HA GLN 27 - HB3 LYS 19 far 0 76 0 - 6.8-21.6 HA ALA 28 - HB3 LYS 31 far 0 60 0 - 6.8-9.8 HA LYS 36 - HB3 LYS 26 far 0 94 0 - 6.9-25.7 HA LEU 22 - HB2 LYS 36 far 0 97 0 - 7.2-31.8 HA LYS 26 - HB2 LYS 36 far 0 97 0 - 7.2-24.7 HA ALA 16 - HB3 LYS 24 far 0 97 0 - 7.3-17.7 HA ALA 21 - HB3 LYS 26 far 0 69 0 - 7.3-15.2 HA ALA 21 - HB3 LYS 31 far 0 76 0 - 7.4-19.9 HA ALA 12 - HB3 LYS 24 far 0 86 0 - 7.6-23.5 HA THR 18 - HB3 LYS 26 far 0 64 0 - 7.6-20.1 HA LYS 31 - HB3 LYS 24 far 0 97 0 - 7.6-18.1 HA GLN 61 - HB3 LYS 31 far 0 93 0 - 7.6-24.0 HA GLN 61 - HB3 LYS 24 far 0 92 0 - 7.7-24.4 HA ALA 108 - HB3 LYS 24 far 0 97 0 - 7.7-37.7 HA LEU 22 - HB3 LYS 31 far 0 100 0 - 7.9-19.7 HA LYS 19 - HB2 LYS 36 far 0 97 0 - 7.9-35.2 HA ALA 109 - HB3 LYS 19 far 0 97 0 - 8.0-50.5 HA ALA 109 - HB3 LYS 24 far 0 97 0 - 8.3-39.9 HA ALA 15 - HB2 LYS 36 far 0 81 0 - 8.6-31.8 HA LYS 36 - HB3 LYS 19 far 0 99 0 - 8.6-35.4 HA GLN 61 - HB3 LYS 19 far 0 93 0 - 8.7-30.4 HA ALA 16 - HB3 LYS 26 far 0 93 0 - 8.8-24.5 HA ALA 108 - HB3 LYS 31 far 0 97 0 - 9.1-32.9 HA ALA 28 - HB2 LYS 36 far 0 55 0 - 9.1-19.3 HA ALA 16 - HB2 LYS 36 far 0 94 0 - 9.2-35.2 HA ALA 108 - HB3 LYS 19 far 0 97 0 - 9.5-48.5 HA SER 74 - HB3 LYS 31 far 0 73 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 261 from cnoeabs.peaks (1.75, 1.81, 32.77 ppm; 2.50 A): 5 out of 32 assignments used, quality = 1.00: * HB2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 1.8-1.8 1.8=100 HB ILE 80 + HB2 LYS 86 OK 26 60 50 87 3.6-6.1 9729/3.0=13, 9713/3.0=11...(33) HB2 LYS 24 - HB3 LYS 19 far 15 100 15 - 1.9-15.0 HB2 LYS 26 - HB3 LYS 31 poor 14 100 35 41 1.9-14.9 251=3, 799/6332=3...(26) HB2 ARG 23 - HB3 LYS 26 far 10 95 10 - 2.4-12.4 HB2 LYS 31 - HB3 LYS 26 poor 9 94 25 38 2.0-14.1 6331/6332=3, 639/3.0=2...(11) HB2 LYS 19 - HB3 LYS 31 far 5 100 5 - 1.9-25.4 HB2 ARG 23 - HB3 LYS 31 far 5 100 5 - 3.6-20.4 HB2 LYS 24 - HB2 LYS 36 far 5 97 5 - 3.3-29.5 HB2 LYS 19 - HB3 LYS 26 far 5 96 5 - 3.6-22.7 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 4.0-14.4 HB2 LYS 26 - HB3 LYS 19 far 0 100 0 - 4.5-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 4.7-7.6 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 4.7-10.3 HB2 LYS 31 - HB3 LYS 19 far 0 99 0 - 4.8-27.2 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 4.9-18.1 HB2 LYS 26 - HB2 LYS 36 far 0 97 0 - 5.0-25.1 HG3 ARG 90 - HB2 LYS 86 far 0 53 0 - 5.0-9.3 HB2 ARG 23 - HB3 LYS 19 far 0 100 0 - 5.1-13.2 HB2 LYS 24 - HB3 LYS 26 far 0 96 0 - 5.2-10.9 HB2 ARG 23 - HB2 LYS 36 far 0 96 0 - 5.9-26.6 HB2 LYS 31 - HB3 LYS 24 far 0 98 0 - 6.1-18.4 HB2 LYS 31 - HB2 LYS 36 far 0 95 0 - 6.2-14.4 HG LEU 100 - HB3 LYS 26 far 0 59 0 - 7.7-21.8 HG13 ILE 129 - HB2 LYS 86 far 0 67 0 - 9.1-11.3 HB2 LEU 43 - HB2 LYS 36 far 0 71 0 - 9.1-16.1 HB2 LEU 43 - HB3 LYS 26 far 0 69 0 - 9.4-28.2 HB2 LYS 19 - HB2 LYS 36 far 0 97 0 - 9.5-34.1 HG LEU 100 - HB3 LYS 24 far 0 64 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 262 from cnoeabs.peaks (1.81, 1.81, 32.77 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB2 LYS 36 + HB2 LYS 36 OK 96 96 - 100 HB3 LYS 26 + HB3 LYS 26 OK 94 94 - 100 HB2 LYS 86 + HB2 LYS 86 OK 55 55 - 100 Peak 263 from cnoeabs.peaks (1.36, 1.81, 32.77 ppm; 3.36 A): 6 out of 68 assignments used, quality = 1.00: * HG2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 91 91 100 100 2.3-3.0 2.9=100 HG2 LYS 36 + HB2 LYS 36 OK 85 85 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 26 OK 82 82 100 100 2.3-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 27 89 40 76 2.2-16.3 1.8/629=7, 273=7...(57) HG3 LYS 31 - HB3 LYS 26 poor 19 62 30 - 3.3-14.9 HG2 LYS 24 - HB3 LYS 19 poor 18 92 20 - 2.0-15.9 QB ALA 15 - HB3 LYS 19 far 13 87 15 - 4.0-12.6 HG2 LYS 19 - HB3 LYS 24 far 10 100 10 - 3.4-16.0 QB ALA 15 - HB3 LYS 31 far 9 87 10 - 2.6-21.8 QB ALA 28 - HB3 LYS 31 far 8 85 10 - 4.8-8.0 QB ALA 12 - HB3 LYS 19 far 5 100 5 - 1.9-16.7 HG2 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.7-26.5 QB ALA 12 - HB3 LYS 31 far 5 100 5 - 3.4-20.9 QB ALA 29 - HB3 LYS 24 far 4 89 5 - 2.6-12.1 HG2 LYS 36 - HB3 LYS 24 far 4 89 5 - 4.9-26.5 QB ALA 15 - HB3 LYS 24 far 4 86 5 - 4.1-15.5 HG2 LYS 24 - HB3 LYS 26 far 4 85 5 - 2.9-11.3 HG3 LYS 26 - HB2 LYS 36 far 4 83 5 - 4.6-27.1 QB ALA 110 - HB3 LYS 26 far 4 80 5 - 3.1-29.9 QB ALA 108 - HB3 LYS 26 far 4 76 5 - 3.5-26.4 QB ALA 21 - HB3 LYS 19 far 4 76 5 - 3.9-7.8 QB ALA 21 - HB3 LYS 24 far 4 75 5 - 3.8-9.3 QB ALA 21 - HB2 LYS 36 far 4 71 5 - 3.8-27.6 HG3 LYS 31 - HB3 LYS 19 far 3 68 5 - 3.7-24.3 HG3 LYS 31 - HB3 LYS 24 far 3 67 5 - 4.8-17.7 HG3 LYS 31 - HB2 LYS 36 far 3 63 5 - 3.8-16.2 QB ALA 28 - HB3 LYS 24 lone 1 84 25 4 3.3-12.8 6234/6233=2, 10790=1 QB ALA 29 - HB2 LYS 36 far 0 85 0 - 5.0-13.4 QB ALA 28 - HB3 LYS 19 far 0 85 0 - 5.1-20.6 QB ALA 110 - HB3 LYS 19 far 0 87 0 - 5.1-43.2 HG2 LYS 24 - HB3 LYS 31 far 0 92 0 - 5.1-19.1 QB ALA 108 - HB3 LYS 24 far 0 82 0 - 5.2-30.4 QB ALA 28 - HB3 LYS 26 far 0 78 0 - 5.2-7.7 QB ALA 29 - HB3 LYS 26 far 0 84 0 - 5.3-9.5 HG3 LYS 26 - HB3 LYS 24 far 0 88 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 87 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 79 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 67 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 72 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 90 0 - 5.9-8.3 HG2 LYS 19 - HB3 LYS 26 far 0 96 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 80 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 73 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 90 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 88 0 - 6.5-10.8 QB ALA 46 - HB2 LYS 36 far 0 71 0 - 6.5-12.9 HG2 LYS 95 - HB3 LYS 24 far 0 75 0 - 6.7-33.3 QB ALA 21 - HB3 LYS 31 far 0 76 0 - 6.7-18.6 HG2 LYS 36 - HB3 LYS 26 far 0 84 0 - 6.8-22.9 QB ALA 12 - HB3 LYS 24 far 0 99 0 - 6.9-17.9 QB ALA 21 - HB3 LYS 26 far 0 69 0 - 7.1-13.8 HG3 LYS 26 - HB3 LYS 19 far 0 89 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 81 0 - 7.4-28.2 HG2 LYS 36 - HB3 LYS 31 far 0 90 0 - 7.5-13.3 QB ALA 46 - HB3 LYS 26 far 0 69 0 - 7.8-18.4 QB ALA 28 - HB2 LYS 36 far 0 79 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 90 0 - 8.2-32.7 QB ALA 12 - HB3 LYS 26 far 0 95 0 - 8.2-20.8 QB ALA 108 - HB3 LYS 31 far 0 83 0 - 8.5-26.6 QB ALA 46 - HB3 LYS 19 far 0 76 0 - 8.5-29.5 QB ALA 110 - HB3 LYS 24 far 0 86 0 - 9.1-35.2 HB3 LEU 100 - HB3 LYS 26 far 0 85 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 97 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 83 0 - 9.7-39.7 QB ALA 12 - HB2 LYS 36 far 0 96 0 - 9.8-26.6 QB ALA 109 - HB3 LYS 31 far 0 73 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 264 from cnoeabs.peaks (1.44, 1.81, 32.77 ppm; 3.62 A): 10 out of 35 assignments used, quality = 1.00: * HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HB3 LYS 26 OK 91 91 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 71 71 100 100 2.2-3.0 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 45 45 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 36 OK 36 96 40 93 4.1-11.8 ~10810=26, ~10899=26...(32) HG2 LYS 26 + HB3 LYS 31 OK 31 97 35 90 2.5-17.3 629=9, 628/1.8=6...(79) HG2 LYS 31 + HB3 LYS 26 OK 30 96 35 89 3.6-16.1 284=6, 823/1.8=5...(107) HG3 LYS 24 + HB3 LYS 19 OK 20 100 30 67 2.0-15.5 284=4, 823/1.8=4...(25) HG13 ILE 32 - HB3 LYS 26 poor 15 95 25 63 2.3-13.7 1.8/913=8, 6264/6263=8...(24) HG13 ILE 32 - HB3 LYS 31 far 15 100 15 - 3.7-7.2 HG3 LYS 19 - HB3 LYS 24 far 10 100 10 - 3.9-16.0 HG2 LYS 26 - HB2 LYS 36 far 9 92 10 - 4.0-27.3 HG2 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.2-25.3 HG3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.5-27.7 HG3 LYS 24 - HB3 LYS 31 far 5 100 5 - 5.0-17.6 HG2 LYS 31 - HB3 LYS 24 far 5 100 5 - 4.5-18.4 HG2 LYS 31 - HB2 LYS 36 far 5 97 5 - 3.7-16.4 HG3 LYS 24 - HB3 LYS 26 far 5 96 5 - 3.6-11.7 HG3 LYS 36 - HB3 LYS 24 far 4 75 5 - 3.5-27.2 QB ALA 34 - HB3 LYS 24 far 3 70 5 - 4.6-20.2 HG3 LYS 36 - HB3 LYS 26 far 3 69 5 - 5.1-23.3 HG13 ILE 32 - HB3 LYS 24 far 0 99 0 - 5.3-17.6 QB ALA 34 - HB2 LYS 36 far 0 66 0 - 5.3-7.2 HG2 LYS 26 - HB3 LYS 24 far 0 96 0 - 5.5-11.9 HG3 LYS 24 - HB2 LYS 36 far 0 97 0 - 5.5-27.7 HG3 LYS 19 - HB3 LYS 26 far 0 96 0 - 5.6-24.0 HG3 LYS 36 - HB3 LYS 31 far 0 76 0 - 6.0-13.7 HG2 LYS 26 - HB3 LYS 19 far 0 97 0 - 6.8-23.3 QB ALA 34 - HB3 LYS 26 far 0 64 0 - 7.5-18.8 HG3 LYS 36 - HB3 LYS 19 far 0 76 0 - 8.3-32.7 HG13 ILE 32 - HB3 LYS 19 far 0 100 0 - 8.3-24.4 QB ALA 34 - HB3 LYS 31 far 0 71 0 - 9.1-11.7 QB ALA 92 - HB2 LYS 86 far 0 59 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 265 from cnoeabs.peaks (1.65, 1.81, 32.77 ppm; 3.91 A): 17 out of 66 assignments used, quality = 1.00: HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-3.7 3.9=98, 6.2/6150=14...(80) * HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-3.7 3.9=98, 6.2/6150=14...(80) HD3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.1-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.5-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.0-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 91 91 100 100 2.2-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.1-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.3-4.0 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 36 97 40 94 2.9-17.3 2.9/629=7, 2.9/273=5...(116) HD3 LYS 26 + HB3 LYS 31 OK 36 98 40 92 3.4-17.4 2.9/629=7, 2.9/273=5...(92) HD3 LYS 24 + HB3 LYS 19 OK 27 97 35 81 3.5-15.3 3.0/824=3, 306=2...(74) HD2 LYS 24 + HB3 LYS 19 OK 25 96 30 87 2.0-16.0 3.0/824=3, 306=3...(109) HD2 LYS 31 + HB3 LYS 26 OK 21 90 25 95 4.2-14.4 2.9/284=4, 2.9/835=4...(159) HD3 LYS 19 - HB3 LYS 24 poor 20 100 20 - 2.0-16.3 HD2 LYS 26 - HB2 LYS 36 poor 18 92 20 - 5.1-27.9 HD3 LYS 31 - HB3 LYS 26 poor 18 91 20 - 4.5-14.4 HD3 LYS 26 - HB2 LYS 36 far 14 94 15 - 4.4-27.1 HD2 LYS 19 - HB3 LYS 24 far 10 100 10 - 3.7-15.7 HG3 ARG 23 - HB3 LYS 26 far 7 69 10 - 4.8-14.3 HD2 LYS 19 - HB3 LYS 31 far 5 100 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 5 100 5 - 5.2-34.1 HD2 LYS 31 - HB3 LYS 24 far 5 95 5 - 5.4-17.9 HD3 LYS 24 - HB3 LYS 26 far 5 91 5 - 3.7-12.3 HD2 LYS 31 - HB2 LYS 36 far 5 91 5 - 5.0-15.5 HD2 LYS 24 - HB3 LYS 26 far 4 90 5 - 5.1-12.6 HD2 LYS 36 - HB3 LYS 24 far 4 79 5 - 4.2-24.7 HG3 ARG 23 - HB3 LYS 19 far 4 76 5 - 3.4-12.2 HG3 ARG 84 - HB2 LYS 86 far 3 61 5 - 5.4-8.3 HD3 LYS 36 - HB3 LYS 24 far 0 79 0 - 5.5-25.2 HG3 ARG 23 - HB3 LYS 31 far 0 76 0 - 5.5-21.5 HG3 ARG 23 - HB2 LYS 36 far 0 71 0 - 5.5-28.1 HG2 ARG 84 - HB2 LYS 86 far 0 61 0 - 5.5-8.0 HD2 LYS 24 - HB2 LYS 36 far 0 91 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 92 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 74 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 96 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 96 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 96 0 - 6.4-12.7 HG3 ARG 23 - HB3 LYS 24 far 0 75 0 - 6.4-8.9 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 74 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 77 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 98 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 81 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 97 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 92 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 96 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 81 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 97 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 97 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 96 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 99 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 96 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 82 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 83 0 - 9.8-17.4 HG LEU 119 - HB3 LYS 26 far 0 59 0 - 9.9-26.0 HD2 LYS 39 - HB3 LYS 24 far 0 59 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 266 from cnoeabs.peaks (1.65, 1.81, 32.77 ppm; 3.91 A): 17 out of 66 assignments used, quality = 1.00: * HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-3.7 3.9=98, 6.2/6150=14...(80) HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-3.7 3.9=98, 6.2/6150=14...(80) HD3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.1-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.5-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.0-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 91 91 100 100 2.2-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.1-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 64 64 100 100 2.3-4.0 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 36 97 40 94 2.9-17.3 2.9/629=7, 2.9/273=5...(116) HD3 LYS 26 + HB3 LYS 31 OK 36 98 40 92 3.4-17.4 2.9/629=7, 2.9/273=5...(92) HD3 LYS 24 + HB3 LYS 19 OK 27 97 35 81 3.5-15.3 3.0/824=3, 306=2...(74) HD2 LYS 24 + HB3 LYS 19 OK 25 96 30 87 2.0-16.0 3.0/824=3, 306=3...(109) HD2 LYS 31 + HB3 LYS 26 OK 21 90 25 95 4.2-14.4 2.9/284=4, 2.9/835=4...(159) HD3 LYS 19 - HB3 LYS 24 poor 20 100 20 - 2.0-16.3 HD2 LYS 26 - HB2 LYS 36 poor 18 92 20 - 5.1-27.9 HD3 LYS 31 - HB3 LYS 26 poor 18 91 20 - 4.5-14.4 HD3 LYS 26 - HB2 LYS 36 far 14 94 15 - 4.4-27.1 HD2 LYS 19 - HB3 LYS 24 far 10 100 10 - 3.7-15.7 HG3 ARG 23 - HB3 LYS 26 far 7 69 10 - 4.8-14.3 HD2 LYS 19 - HB3 LYS 31 far 5 100 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 5 100 5 - 5.2-34.1 HD2 LYS 31 - HB3 LYS 24 far 5 95 5 - 5.4-17.9 HD3 LYS 24 - HB3 LYS 26 far 5 91 5 - 3.7-12.3 HD2 LYS 31 - HB2 LYS 36 far 5 91 5 - 5.0-15.5 HD2 LYS 24 - HB3 LYS 26 far 4 90 5 - 5.1-12.6 HD2 LYS 36 - HB3 LYS 24 far 4 79 5 - 4.2-24.7 HG3 ARG 23 - HB3 LYS 19 far 4 76 5 - 3.4-12.2 HG3 ARG 84 - HB2 LYS 86 far 3 61 5 - 5.4-8.3 HD3 LYS 36 - HB3 LYS 24 far 0 79 0 - 5.5-25.2 HG3 ARG 23 - HB3 LYS 31 far 0 76 0 - 5.5-21.5 HG3 ARG 23 - HB2 LYS 36 far 0 71 0 - 5.5-28.1 HG2 ARG 84 - HB2 LYS 86 far 0 61 0 - 5.5-8.0 HD2 LYS 24 - HB2 LYS 36 far 0 91 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 92 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 74 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 96 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 96 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 96 0 - 6.4-12.7 HG3 ARG 23 - HB3 LYS 24 far 0 75 0 - 6.4-8.9 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 74 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 77 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 98 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 81 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 97 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 92 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 96 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 81 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 97 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 97 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 96 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 99 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 96 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 82 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 83 0 - 9.8-17.4 HG LEU 119 - HB3 LYS 26 far 0 59 0 - 9.9-26.0 HD2 LYS 39 - HB3 LYS 24 far 0 59 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 267 from cnoeabs.peaks (2.96, 1.81, 32.77 ppm; 6.80 A): 21 out of 56 assignments used, quality = 1.00: * HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.1 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 99 99 100 100 2.3-4.8 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.2 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-5.0 4.8=100 HE2 LYS 36 + HB2 LYS 36 OK 97 97 100 100 3.3-4.7 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 97 97 100 100 2.0-4.5 4.9=100 HE3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 93 93 100 100 3.3-5.0 4.8=100 HE3 LYS 86 + HB2 LYS 86 OK 69 69 100 100 3.0-3.5 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 58 98 60 99 2.2-19.2 6337/6332=10, 3.6/629=10...(165) HE3 LYS 26 + HB3 LYS 31 OK 58 98 60 99 3.3-19.0 6337/6332=10, 3.6/629=10...(160) HE2 LYS 31 + HB3 LYS 26 OK 55 95 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 24 + HB3 LYS 19 OK 48 100 50 97 3.9-16.9 1217/1.8=6, 4.0/526=5...(161) HE2 LYS 26 + HB2 LYS 36 OK 47 94 55 91 2.4-29.4 1004/1.8=17, ~1004=13...(60) HE3 LYS 31 + HB3 LYS 26 OK 45 93 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 26 + HB2 LYS 36 OK 41 94 50 88 2.6-28.9 1003/1.8=14, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 34 100 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 29 100 35 83 3.5-17.2 532/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 27 99 35 79 4.6-17.1 532/2.9=3, 6.4/240=2...(92) HE2 LYS 24 - HB3 LYS 31 poor 20 100 20 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 20 100 55 36 4.9-14.1 6337/6332=4...(3) HE3 LYS 24 - HB3 LYS 31 far 15 100 15 - 6.7-20.0 HE3 LYS 19 - HB3 LYS 31 far 15 99 15 - 6.2-27.1 HE2 LYS 24 - HB3 LYS 26 far 14 96 15 - 5.2-13.2 HE3 LYS 24 - HB3 LYS 26 far 14 96 15 - 6.0-13.6 HE2 LYS 36 - HB3 LYS 31 poor 14 100 35 40 5.3-14.3 10813/10751=3...(14) HE2 LYS 36 - HB3 LYS 24 far 10 100 10 - 3.5-25.9 HE2 LYS 31 - HB3 LYS 19 far 10 99 10 - 6.5-26.1 HE2 LYS 26 - HB3 LYS 19 far 10 98 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 10 98 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 10 98 10 - 7.6-23.7 HE2 LYS 26 - HB3 LYS 24 lone 8 97 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 7 97 35 21 4.8-12.9 9587/985=2, ~294=1 HG CYS 73 - HB2 LYS 36 far 7 73 10 - 7.8-14.8 HB2 CYS 45 - HB2 LYS 36 lone 7 85 55 15 1.8-11.9 10889/10749=5...(6) HE3 LYS 36 - HB3 LYS 26 poor 7 96 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 6 96 25 26 4.2-22.7 10721/10720=3, 10813/10751=2 HE2 LYS 19 - HB3 LYS 31 far 5 100 5 - 5.8-26.9 HE3 LYS 36 - HB3 LYS 24 far 5 100 5 - 5.2-26.7 HD2 ARG 135 - HB2 LYS 86 far 5 50 10 - 7.9-12.6 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.8-18.3 HE3 LYS 31 - HB3 LYS 24 far 5 97 5 - 7.6-18.3 HE2 LYS 24 - HB2 LYS 36 far 5 97 5 - 6.1-29.9 HE3 LYS 24 - HB2 LYS 36 far 5 97 5 - 7.5-29.6 HE3 LYS 19 - HB3 LYS 26 far 5 95 5 - 8.0-25.2 HE2 LYS 31 - HB2 LYS 36 lone 5 96 40 12 6.2-12.8 10721/10898=4, 10804/929=3 HB2 CYS 45 - HB3 LYS 26 far 4 84 5 - 7.5-24.2 HE3 LYS 31 - HB2 LYS 36 lone 3 94 25 11 5.6-14.2 10766/10898=4, 9008/929=3 HB3 ASN 116 - HB3 LYS 24 far 0 70 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 89 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 90 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 90 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 268 from cnoeabs.peaks (2.96, 1.81, 32.77 ppm; 6.80 A): 21 out of 55 assignments used, quality = 1.00: HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 * HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 99 99 100 100 2.1-4.9 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.1 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 97 97 100 100 2.0-4.5 4.9=100 HE3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.3-5.0 4.8=100 HE2 LYS 36 + HB2 LYS 36 OK 95 95 100 100 3.3-4.7 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 67 67 100 100 3.0-3.5 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 60 100 60 99 2.2-19.2 6338/6332=10, 3.6/629=10...(165) HE3 LYS 26 + HB3 LYS 31 OK 59 100 60 99 3.3-19.0 6338/6332=10, 3.6/629=10...(160) HE2 LYS 31 + HB3 LYS 26 OK 56 96 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE2 LYS 26 + HB2 LYS 36 OK 49 97 55 91 2.4-29.4 1004/1.8=17, ~1004=13...(60) HE3 LYS 24 + HB3 LYS 19 OK 48 100 50 97 3.9-16.9 1228/1.8=5, 11770/3.0=5...(161) HE3 LYS 31 + HB3 LYS 26 OK 46 96 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 26 + HB2 LYS 36 OK 43 97 50 88 2.6-28.9 1003/1.8=15, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 34 98 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 29 99 35 83 3.5-17.2 1025/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 28 100 35 79 4.6-17.1 532/2.9=3, 6.4/240=2...(92) HE3 LYS 36 - HB3 LYS 31 poor 20 100 55 36 4.9-14.1 6337/6332=4...(3) HE2 LYS 24 - HB3 LYS 31 poor 20 98 20 - 6.0-19.3 HE3 LYS 19 - HB3 LYS 31 far 15 100 15 - 6.2-27.1 HE3 LYS 24 - HB3 LYS 31 far 15 100 15 - 6.7-20.0 HE3 LYS 24 - HB3 LYS 26 far 14 96 15 - 6.0-13.6 HE2 LYS 24 - HB3 LYS 26 far 14 93 15 - 5.2-13.2 HE2 LYS 36 - HB3 LYS 31 poor 14 99 35 40 5.3-14.3 10813/10751=3...(14) HE2 LYS 31 - HB3 LYS 19 far 10 100 10 - 6.5-26.1 HE2 LYS 26 - HB3 LYS 19 far 10 100 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 10 100 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 10 100 10 - 7.6-23.7 HE2 LYS 36 - HB3 LYS 24 far 10 98 10 - 3.5-25.9 HE2 LYS 26 - HB3 LYS 24 lone 8 100 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 8 100 35 22 4.8-12.9 9587/985=2, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 7 96 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 6 94 25 26 4.2-22.7 10721/10720=3, 10813/10751=2 HB2 CYS 45 - HB2 LYS 36 lone 6 73 55 15 1.8-11.9 10889/10749=4...(6) HG CYS 73 - HB2 LYS 36 far 6 58 10 - 7.8-14.8 HE3 LYS 36 - HB3 LYS 24 far 5 100 5 - 5.2-26.7 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.8-26.9 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 7.8-18.3 HE3 LYS 31 - HB3 LYS 24 far 5 100 5 - 7.6-18.3 HE3 LYS 24 - HB2 LYS 36 far 5 97 5 - 7.5-29.6 HE3 LYS 19 - HB3 LYS 26 far 5 96 5 - 8.0-25.2 HE2 LYS 24 - HB2 LYS 36 far 5 94 5 - 6.1-29.9 HE2 LYS 31 - HB2 LYS 36 lone 5 97 40 12 6.2-12.8 10721/10898=5, 9008/929=3 HD2 ARG 135 - HB2 LYS 86 far 4 39 10 - 7.9-12.6 HB2 CYS 45 - HB3 LYS 26 far 4 72 5 - 7.5-24.2 HE3 LYS 31 - HB2 LYS 36 lone 3 97 25 12 5.6-14.2 10840/10898=4, 9008/929=3 HE2 LYS 19 - HB3 LYS 26 far 0 95 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 97 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 78 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 78 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 269 from cnoeabs.peaks (8.06, 1.81, 32.77 ppm; 4.73 A): 1 out of 20 assignments used, quality = 1.00: * H VAL 20 + HB3 LYS 19 OK 100 100 100 100 3.7-4.5 4.6=100 H VAL 20 - HB3 LYS 31 far 15 100 15 - 3.4-23.0 HD22 ASN 85 - HB2 LYS 86 poor 13 52 40 63 4.3-7.5 7137/4.0=27, 5.3/7103=15...(8) H ALA 108 - HB3 LYS 26 far 8 80 10 - 5.4-30.9 H ALA 109 - HB3 LYS 26 far 8 76 10 - 5.7-31.3 H VAL 20 - HB3 LYS 26 far 5 96 5 - 4.3-19.4 H LEU 48 - HB3 LYS 19 far 4 87 5 - 5.0-35.2 H VAL 20 - HB3 LYS 24 lone 4 100 25 16 2.8-12.7 6164/2.9=5, 6163/2.9=3...(6) H LEU 48 - HB3 LYS 26 far 4 80 5 - 5.9-26.0 H LEU 103 - HB3 LYS 26 far 4 78 5 - 5.3-26.4 H VAL 20 - HB2 LYS 36 far 0 97 0 - 6.9-32.6 H CYS 79 - HB2 LYS 86 far 0 50 0 - 7.3-9.4 H LEU 48 - HB2 LYS 36 far 0 81 0 - 7.5-17.2 H TYR 76 - HB2 LYS 36 far 0 77 0 - 8.5-17.2 H ALA 108 - HB3 LYS 31 far 0 87 0 - 8.8-31.2 H LEU 48 - HB3 LYS 24 far 0 86 0 - 8.9-27.4 H ALA 109 - HB3 LYS 31 far 0 83 0 - 9.5-32.0 H ALA 108 - HB3 LYS 24 far 0 86 0 - 9.5-36.4 H ALA 109 - HB3 LYS 24 far 0 82 0 - 9.6-37.1 H ALA 109 - HB3 LYS 19 far 0 83 0 - 9.8-47.6 Violated in 0 structures by 0.00 A. Peak 270 from cnoeabs.peaks (8.35, 1.36, 24.61 ppm; 4.47 A): 3 out of 28 assignments used, quality = 1.00: * H LYS 19 + HG2 LYS 19 OK 100 100 100 100 1.8-4.0 6149/3.0=89, 6151=84...(51) H LYS 24 + HG2 LYS 24 OK 57 57 100 100 1.9-4.3 3.0/483=77, 6223/1.8=71...(28) H LYS 26 + HG3 LYS 26 OK 48 48 100 100 1.7-4.7 4.9=75, 6252/1.8=68...(48) H LYS 26 - HG2 LYS 24 poor 19 55 35 - 1.9-8.6 H LYS 19 - HG2 LYS 24 poor 19 77 25 - 5.1-16.6 H ALA 28 - HG3 LYS 26 poor 18 46 40 - 4.2-6.8 H GLY 17 - HG2 LYS 19 poor 15 60 25 - 4.7-9.5 H LYS 24 - HG2 LYS 19 far 12 83 15 - 4.5-15.9 H LYS 24 - HG3 LYS 26 poor 12 49 25 - 3.8-10.2 H LYS 26 - HG2 LYS 19 far 4 81 5 - 5.3-22.5 H ALA 28 - HG2 LYS 24 far 3 53 5 - 5.8-13.3 H TYR 72 - HG2 LYS 36 far 2 25 10 - 4.2-11.0 H LYS 19 - HG2 LYS 36 far 2 48 5 - 5.0-32.6 H GLY 14 - HG2 LYS 19 lone 2 89 40 6 3.6-15.4 4.5/11759=1, 3.6/10654=1...(4) H GLY 17 - HG2 LYS 36 far 1 22 5 - 4.8-33.4 H GLY 17 - HG2 LYS 24 far 0 39 0 - 7.0-19.0 H LYS 24 - HG2 LYS 36 far 0 34 0 - 7.1-26.7 H ALA 28 - HG2 LYS 19 far 0 78 0 - 7.4-23.2 H GLY 14 - HG2 LYS 24 far 0 62 0 - 7.4-24.1 H LYS 19 - HG3 LYS 26 far 0 68 0 - 7.6-21.9 H GLU 44 - HG3 LYS 26 far 0 56 0 - 7.7-27.8 H GLU 44 - HG2 LYS 36 far 0 38 0 - 7.7-13.9 H GLU 44 - HG2 LYS 24 far 0 64 0 - 8.4-28.2 H LYS 26 - HG2 LYS 36 far 0 32 0 - 8.5-23.7 H TYR 72 - HG3 LYS 26 far 0 37 0 - 8.9-21.7 H HIS 3 - HG3 LYS 26 far 0 32 0 - 9.1-55.1 H ALA 28 - HG2 LYS 36 far 0 31 0 - 9.2-18.8 H GLY 17 - HG3 LYS 26 far 0 34 0 - 9.7-23.1 Violated in 0 structures by 0.00 A. Peak 271 from cnoeabs.peaks (4.27, 1.36, 24.61 ppm; 3.69 A): 6 out of 65 assignments used, quality = 1.00: * HA LYS 19 + HG2 LYS 19 OK 99 100 100 99 2.3-3.7 4.2=70, 3.0/6151=47...(41) HA LYS 26 + HG3 LYS 26 OK 67 68 100 99 2.6-3.9 4.0=76, 2.9/6253=43...(31) HA LYS 36 + HG2 LYS 36 OK 45 45 100 100 2.3-3.8 4.1=71, 3.0/6394=49...(30) HA THR 18 + HG2 LYS 19 OK 39 71 60 92 4.0-7.3 3.6/6151=40...(17) HA THR 25 + HG3 LYS 26 OK 22 42 60 85 3.0-7.7 3.6/6253=36, 11150=18...(23) HA THR 25 + HG2 LYS 24 OK 21 49 45 94 3.0-6.9 3.0/6234=38, ~6232=20...(28) HA ARG 23 - HG2 LYS 24 poor 19 59 50 63 4.1-6.9 3.6/6222=47, 6240/6234=9...(8) HA LYS 19 - HG2 LYS 24 poor 18 77 35 68 2.2-15.3 241=6, 822/1.8=5, ~281=2...(44) HA ARG 23 - HG3 LYS 26 poor 18 51 35 - 2.4-10.6 HA ALA 15 - HG2 LYS 19 poor 17 87 20 - 2.8-13.4 HA GLN 27 - HG3 LYS 26 poor 13 44 30 - 2.8-6.8 HA ALA 21 - HG2 LYS 24 poor 13 51 25 - 2.3-10.7 HA LYS 31 - HG3 LYS 26 poor 13 63 20 - 4.5-16.0 HA LEU 22 - HG2 LYS 24 poor 11 77 45 32 2.7-8.4 6212/6222=10, 2.9/1309=6...(8) HA LYS 36 - HG3 LYS 26 far 6 65 10 - 4.9-27.4 HA ALA 16 - HG2 LYS 19 far 5 98 5 - 4.7-10.8 HA LYS 31 - HG2 LYS 19 far 5 97 5 - 4.9-26.6 HA LYS 26 - HG2 LYS 24 far 4 77 5 - 4.2-10.1 HA GLN 61 - HG3 LYS 26 far 3 58 5 - 2.5-25.1 HA THR 18 - HG2 LYS 24 far 2 47 5 - 3.6-15.8 HA ALA 21 - HG2 LYS 36 far 1 30 5 - 4.7-28.9 HA THR 18 - HG2 LYS 36 far 1 27 5 - 4.1-34.5 HA ALA 12 - HG2 LYS 19 far 0 87 0 - 5.5-18.1 HA ALA 28 - HG3 LYS 26 far 0 34 0 - 5.7-9.0 HA GLN 27 - HG2 LYS 36 far 0 30 0 - 5.8-19.4 HA ALA 108 - HG2 LYS 24 far 0 72 0 - 5.9-39.9 HA ALA 109 - HG3 LYS 26 far 0 63 0 - 6.0-34.4 HA GLN 27 - HG2 LYS 24 far 0 51 0 - 6.0-12.9 HA LYS 26 - HG2 LYS 19 far 0 100 0 - 6.3-22.3 HA ALA 15 - HG2 LYS 24 far 0 60 0 - 6.3-22.5 HA LEU 22 - HG2 LYS 19 far 0 100 0 - 6.4-12.3 HA ARG 23 - HG2 LYS 19 far 0 85 0 - 6.4-16.2 HA LYS 19 - HG2 LYS 36 far 0 48 0 - 6.5-33.1 HA LEU 22 - HG3 LYS 26 far 0 68 0 - 6.5-13.0 HA THR 25 - HG2 LYS 19 far 0 73 0 - 6.5-20.7 HA ALA 16 - HG2 LYS 36 far 0 44 0 - 6.5-33.7 HA ALA 110 - HG2 LYS 19 far 0 89 0 - 6.6-54.1 HA LYS 31 - HG2 LYS 24 far 0 72 0 - 6.7-19.6 HA GLN 61 - HG2 LYS 24 far 0 67 0 - 6.9-23.9 HA ALA 28 - HG2 LYS 24 far 0 39 0 - 7.0-12.9 HA LYS 36 - HG2 LYS 24 far 0 74 0 - 7.0-29.4 HA ALA 109 - HG2 LYS 24 far 0 72 0 - 7.0-42.1 HA ALA 21 - HG2 LYS 19 far 0 76 0 - 7.0-10.1 HA LYS 31 - HG2 LYS 36 far 0 44 0 - 7.1-11.7 HA THR 25 - HG2 LYS 36 far 0 29 0 - 7.3-23.3 HA LYS 26 - HG2 LYS 36 far 0 47 0 - 7.4-22.3 HA LYS 36 - HG2 LYS 19 far 0 99 0 - 7.5-37.3 HA ALA 108 - HG3 LYS 26 far 0 63 0 - 7.5-32.5 HA ALA 15 - HG3 LYS 26 far 0 53 0 - 7.7-25.9 HA ALA 110 - HG3 LYS 26 far 0 54 0 - 7.7-35.7 HA ALA 28 - HG2 LYS 19 far 0 60 0 - 7.8-23.6 HA ALA 21 - HG3 LYS 26 far 0 44 0 - 7.8-15.9 HA ALA 109 - HG2 LYS 19 far 0 97 0 - 7.9-53.1 HA LYS 19 - HG3 LYS 26 far 0 68 0 - 8.0-21.2 HA ALA 15 - HG2 LYS 36 far 0 36 0 - 8.0-30.5 HA ALA 16 - HG2 LYS 24 far 0 73 0 - 8.0-20.4 HA ALA 12 - HG2 LYS 24 far 0 60 0 - 8.0-22.3 HA ARG 23 - HG2 LYS 36 far 0 35 0 - 8.2-26.0 HA LEU 22 - HG2 LYS 36 far 0 48 0 - 9.0-29.7 HA GLN 61 - HG2 LYS 19 far 0 93 0 - 9.1-33.2 HA GLN 61 - HG2 LYS 36 far 0 40 0 - 9.6-21.9 HA ALA 108 - HG2 LYS 19 far 0 97 0 - 9.6-51.1 HA GLN 27 - HG2 LYS 19 far 0 76 0 - 9.7-23.1 HA ALA 110 - HG2 LYS 24 far 0 62 0 - 9.8-43.7 HA ALA 16 - HG3 LYS 26 far 0 64 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 272 from cnoeabs.peaks (1.75, 1.36, 24.61 ppm; 3.47 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.2-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 68 68 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 26 OK 22 65 40 83 2.0-14.6 252=7, 628/1.8=6...(61) HB2 LYS 24 - HG2 LYS 19 poor 20 100 20 - 3.4-16.9 HB2 LYS 19 - HG2 LYS 24 poor 15 77 20 - 3.7-16.8 HB2 ARG 23 - HG3 LYS 26 poor 13 67 20 - 3.9-12.1 HB2 LYS 26 - HG2 LYS 24 far 4 77 5 - 2.2-11.2 HB2 ARG 23 - HG2 LYS 24 far 4 76 5 - 4.4-8.4 HB2 LYS 24 - HG2 LYS 36 far 2 47 5 - 4.2-27.3 HB2 LYS 31 - HG2 LYS 19 far 0 99 0 - 5.2-27.3 HB2 LYS 24 - HG3 LYS 26 far 0 67 0 - 5.4-11.1 HB2 LYS 26 - HG2 LYS 36 far 0 48 0 - 5.5-22.8 HB2 LYS 31 - HG2 LYS 24 far 0 74 0 - 5.6-19.7 HB2 LYS 19 - HG3 LYS 26 far 0 68 0 - 6.0-22.5 HB2 LYS 26 - HG2 LYS 19 far 0 100 0 - 6.4-24.5 HB2 LYS 31 - HG2 LYS 36 far 0 46 0 - 6.5-12.1 HB2 ARG 23 - HG2 LYS 36 far 0 47 0 - 6.8-24.5 HB2 LYS 19 - HG2 LYS 36 far 0 48 0 - 7.3-32.2 HB2 ARG 23 - HG2 LYS 19 far 0 100 0 - 7.6-15.2 HB2 LYS 39 - HG2 LYS 24 far 0 71 0 - 8.0-31.6 HB2 LEU 43 - HG2 LYS 24 far 0 51 0 - 8.6-30.2 HB2 LYS 39 - HG2 LYS 36 far 0 43 0 - 9.5-14.0 HB2 LEU 43 - HG2 LYS 36 far 0 30 0 - 9.7-17.3 Violated in 0 structures by 0.00 A. Peak 273 from cnoeabs.peaks (1.81, 1.36, 24.61 ppm; 3.42 A): 5 out of 33 assignments used, quality = 1.00: * HB3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.3-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 65 65 100 100 2.3-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 47 47 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 26 OK 21 68 40 78 2.2-16.3 263=6, 1.8/272=6...(65) HB3 LYS 19 - HG2 LYS 24 poor 15 77 20 - 2.0-15.9 HB ILE 32 - HG2 LYS 36 poor 14 46 30 - 3.5-7.7 HB3 LYS 24 - HG2 LYS 19 far 10 100 10 - 3.4-16.0 HB3 ARG 23 - HG3 LYS 26 far 9 62 15 - 2.7-12.0 HB ILE 32 - HG3 LYS 26 far 7 66 10 - 3.9-17.4 HB3 LYS 31 - HG2 LYS 19 far 5 100 5 - 4.7-26.5 HB3 LYS 26 - HG2 LYS 24 far 4 74 5 - 2.9-11.3 HB2 LYS 36 - HG3 LYS 26 far 3 67 5 - 4.6-27.1 HB3 LYS 24 - HG2 LYS 36 far 2 47 5 - 4.9-26.5 HB3 LEU 98 - HG2 LYS 24 far 2 43 5 - 4.6-35.1 HB3 LYS 31 - HG2 LYS 24 far 0 77 0 - 5.1-19.1 HB3 ARG 23 - HG2 LYS 24 far 0 71 0 - 5.3-7.8 HB3 LYS 24 - HG3 LYS 26 far 0 68 0 - 5.4-11.5 HB2 LYS 36 - HG2 LYS 24 far 0 76 0 - 5.6-29.5 HB3 LYS 26 - HG2 LYS 19 far 0 99 0 - 6.0-24.6 HB3 ARG 23 - HG2 LYS 36 far 0 43 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 46 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 68 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 75 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 48 0 - 7.5-13.3 HB3 LYS 19 - HG2 LYS 36 far 0 48 0 - 8.2-32.7 HB3 ARG 23 - HG2 LYS 19 far 0 97 0 - 8.4-16.3 HB3 LEU 98 - HG3 LYS 26 far 0 37 0 - 8.5-28.4 HB2 CYS 79 - HG2 LYS 36 far 0 25 0 - 8.7-18.1 HB2 CYS 79 - HG2 LYS 19 far 0 65 0 - 8.9-38.4 HB3 LEU 122 - HG2 LYS 24 far 0 60 0 - 9.0-29.6 HB2 LYS 36 - HG2 LYS 19 far 0 100 0 - 9.5-36.6 HB3 LEU 103 - HG3 LYS 26 far 0 51 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 274 from cnoeabs.peaks (1.36, 1.36, 24.61 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 65 65 - 100 HG3 LYS 26 + HG3 LYS 26 OK 54 54 - 100 HG2 LYS 36 + HG2 LYS 36 OK 38 38 - 100 Peak 275 from cnoeabs.peaks (1.44, 1.36, 24.61 ppm; 2.50 A): 4 out of 27 assignments used, quality = 1.00: * HG3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 62 62 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 30 30 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 7 67 10 - 2.6-15.5 HG3 LYS 24 - HG2 LYS 19 far 5 100 5 - 2.1-17.9 HG2 LYS 31 - HG3 LYS 26 far 3 68 5 - 3.8-16.9 HG3 LYS 19 - HG2 LYS 24 far 0 77 0 - 4.1-17.9 HG3 LYS 24 - HG3 LYS 26 far 0 68 0 - 4.4-11.5 HG2 LYS 26 - HG2 LYS 24 far 0 71 0 - 4.7-11.2 QB ALA 34 - HG2 LYS 36 far 0 27 0 - 4.7-7.2 QB ALA 34 - HG2 LYS 24 far 0 47 0 - 5.4-22.7 HG3 LYS 36 - HG2 LYS 24 far 0 51 0 - 5.4-28.0 QB ALA 34 - HG3 LYS 26 far 0 41 0 - 5.5-19.0 HG13 ILE 32 - HG2 LYS 36 far 0 47 0 - 5.5-9.7 HG2 LYS 31 - HG2 LYS 24 far 0 77 0 - 5.6-17.7 HG2 LYS 31 - HG2 LYS 19 far 0 100 0 - 5.6-25.5 HG3 LYS 24 - HG2 LYS 36 far 0 47 0 - 6.1-25.7 HG3 LYS 36 - HG3 LYS 26 far 0 44 0 - 6.2-25.2 HG2 LYS 31 - HG2 LYS 36 far 0 47 0 - 6.3-14.0 HG2 LYS 26 - HG2 LYS 36 far 0 43 0 - 6.3-25.0 HG13 ILE 32 - HG2 LYS 24 far 0 76 0 - 7.5-18.3 HG3 LYS 19 - HG3 LYS 26 far 0 68 0 - 7.8-23.7 HG3 LYS 36 - HG2 LYS 19 far 0 76 0 - 8.0-34.6 HG3 LYS 19 - HG2 LYS 36 far 0 48 0 - 8.2-34.3 HG2 LYS 26 - HG2 LYS 19 far 0 97 0 - 8.7-25.7 HG13 ILE 32 - HG2 LYS 19 far 0 100 0 - 8.9-25.0 Violated in 0 structures by 0.00 A. Peak 276 from cnoeabs.peaks (1.65, 1.36, 24.61 ppm; 3.50 A): 8 out of 51 assignments used, quality = 1.00: HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 * HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 62 62 100 100 2.2-2.9 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.3-3.0 3.0=100 HD3 LYS 19 - HG2 LYS 24 poor 15 77 20 - 2.1-17.8 HD2 LYS 24 - HG2 LYS 19 poor 15 96 25 64 3.0-17.8 296=2, 2631/3.0=2...(7) HD3 LYS 24 - HG2 LYS 19 far 14 97 15 - 2.7-16.9 HD2 LYS 19 - HG2 LYS 24 far 12 77 15 - 3.2-16.1 HD3 LYS 31 - HG3 LYS 26 far 9 62 15 - 3.4-15.4 HB2 LEU 98 - HG2 LYS 24 far 4 77 5 - 4.9-36.4 HD3 LYS 24 - HG3 LYS 26 far 3 62 5 - 3.7-11.0 HD2 LYS 31 - HG3 LYS 26 far 3 61 5 - 3.6-15.7 HD2 LYS 36 - HG3 LYS 26 far 2 48 5 - 4.8-22.9 HD3 LYS 26 - HG2 LYS 36 far 0 44 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 73 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 55 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 61 0 - 5.3-11.0 HG3 ARG 23 - HG3 LYS 26 far 0 44 0 - 5.5-13.7 HG3 ARG 23 - HG2 LYS 24 far 0 51 0 - 5.7-9.1 HD2 LYS 26 - HG2 LYS 24 far 0 71 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 43 0 - 5.9-25.5 HD3 LYS 36 - HG3 LYS 26 far 0 48 0 - 5.9-23.8 HG3 ARG 23 - HG2 LYS 19 far 0 76 0 - 6.0-13.8 HD2 LYS 31 - HG2 LYS 36 far 0 42 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 55 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 43 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 67 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 42 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 96 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 69 0 - 7.0-16.7 HG3 ARG 23 - HG2 LYS 36 far 0 30 0 - 7.0-26.0 HB2 LEU 69 - HG2 LYS 36 far 0 34 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 39 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 97 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 98 0 - 7.8-23.7 HD3 LYS 24 - HG2 LYS 36 far 0 43 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 72 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 97 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 76 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 46 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 48 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 68 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 81 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 100 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 277 from cnoeabs.peaks (1.65, 1.36, 24.61 ppm; 3.50 A): 8 out of 51 assignments used, quality = 1.00: * HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 62 62 100 100 2.2-2.9 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 32 32 100 100 2.3-3.0 3.0=100 HD3 LYS 19 - HG2 LYS 24 poor 15 77 20 - 2.1-17.8 HD2 LYS 24 - HG2 LYS 19 poor 15 96 25 64 3.0-17.8 296=2, 2631/3.0=2...(7) HD3 LYS 24 - HG2 LYS 19 far 14 97 15 - 2.7-16.9 HD2 LYS 19 - HG2 LYS 24 far 12 77 15 - 3.2-16.1 HD3 LYS 31 - HG3 LYS 26 far 9 62 15 - 3.4-15.4 HB2 LEU 98 - HG2 LYS 24 far 4 77 5 - 4.9-36.4 HD3 LYS 24 - HG3 LYS 26 far 3 62 5 - 3.7-11.0 HD2 LYS 31 - HG3 LYS 26 far 3 61 5 - 3.6-15.7 HD2 LYS 36 - HG3 LYS 26 far 2 48 5 - 4.8-22.9 HD3 LYS 26 - HG2 LYS 36 far 0 44 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 73 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 55 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 61 0 - 5.3-11.0 HG3 ARG 23 - HG3 LYS 26 far 0 44 0 - 5.5-13.7 HG3 ARG 23 - HG2 LYS 24 far 0 51 0 - 5.7-9.1 HD2 LYS 26 - HG2 LYS 24 far 0 71 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 43 0 - 5.9-25.5 HD3 LYS 36 - HG3 LYS 26 far 0 48 0 - 5.9-23.8 HG3 ARG 23 - HG2 LYS 19 far 0 76 0 - 6.0-13.8 HD2 LYS 31 - HG2 LYS 36 far 0 42 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 55 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 43 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 67 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 42 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 96 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 69 0 - 7.0-16.7 HG3 ARG 23 - HG2 LYS 36 far 0 30 0 - 7.0-26.0 HB2 LEU 69 - HG2 LYS 36 far 0 34 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 39 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 97 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 98 0 - 7.8-23.7 HD3 LYS 24 - HG2 LYS 36 far 0 43 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 72 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 97 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 76 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 46 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 68 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 48 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 68 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 81 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 100 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 278 from cnoeabs.peaks (2.96, 1.36, 24.61 ppm; 4.30 A): 8 out of 43 assignments used, quality = 1.00: * HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.2 3.8=100 HE3 LYS 19 + HG2 LYS 19 OK 99 99 100 100 2.0-2.8 3.8=100 HE2 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 64 64 100 100 2.1-4.1 3.6=100 HE2 LYS 36 + HG2 LYS 36 OK 48 48 100 100 2.6-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 47 47 100 100 2.0-4.2 4.0=100 HE2 LYS 24 - HG2 LYS 19 poor 20 100 20 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 20 100 20 - 3.9-19.3 HE2 LYS 19 - HG2 LYS 24 far 12 77 15 - 4.3-16.8 HE3 LYS 36 - HG3 LYS 26 far 10 67 15 - 4.4-24.9 HE2 LYS 31 - HG3 LYS 26 far 10 66 15 - 5.0-15.0 HB2 CYS 45 - HG2 LYS 36 poor 8 38 20 - 4.8-12.0 HE3 LYS 19 - HG2 LYS 24 far 8 75 10 - 3.6-18.0 HE2 LYS 36 - HG3 LYS 26 far 7 68 10 - 4.6-24.5 HE2 LYS 26 - HG2 LYS 36 far 7 44 15 - 5.0-27.0 HE3 LYS 26 - HG2 LYS 36 far 7 44 15 - 5.1-26.6 HE3 LYS 31 - HG3 LYS 26 far 6 64 10 - 5.8-14.5 HE2 LYS 36 - HG2 LYS 24 far 4 77 5 - 4.2-26.3 HE3 LYS 36 - HG2 LYS 24 far 4 77 5 - 5.7-27.3 HE3 LYS 26 - HG2 LYS 24 far 4 73 5 - 5.4-12.1 HE2 LYS 24 - HG3 LYS 26 far 3 67 5 - 5.0-12.3 HE3 LYS 24 - HG3 LYS 26 far 3 67 5 - 5.5-12.7 HE2 LYS 31 - HG2 LYS 36 far 2 46 5 - 5.3-13.7 HE3 LYS 31 - HG2 LYS 36 far 2 44 5 - 5.1-14.9 HE2 LYS 26 - HG2 LYS 24 far 0 73 0 - 5.9-12.0 HB3 ASN 116 - HG2 LYS 24 far 0 47 0 - 5.9-34.7 HE2 LYS 24 - HG2 LYS 36 far 0 47 0 - 6.3-27.7 HG CYS 73 - HG2 LYS 36 far 0 31 0 - 6.4-14.5 HE3 LYS 31 - HG2 LYS 19 far 0 98 0 - 6.5-27.2 HE3 LYS 31 - HG2 LYS 24 far 0 73 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 99 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 64 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 75 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 56 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 47 0 - 8.0-27.5 HB2 CYS 45 - HG2 LYS 24 far 0 64 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 100 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 98 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 48 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 43 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 46 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 279 from cnoeabs.peaks (2.96, 1.36, 24.61 ppm; 4.30 A): 8 out of 41 assignments used, quality = 1.00: * HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 99 99 100 100 2.3-3.2 3.8=100 HE3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.1-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 73 73 100 100 2.0-3.9 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 67 67 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 67 67 100 100 2.1-4.1 3.6=100 HE3 LYS 36 + HG2 LYS 36 OK 47 47 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 46 46 100 100 2.6-4.2 4.0=100 HE3 LYS 24 - HG2 LYS 19 poor 20 100 20 - 3.9-19.3 HE2 LYS 24 - HG2 LYS 19 poor 20 98 20 - 2.9-18.6 HE2 LYS 19 - HG2 LYS 24 far 11 75 15 - 4.3-16.8 HE2 LYS 31 - HG3 LYS 26 far 10 68 15 - 5.0-15.0 HE3 LYS 36 - HG3 LYS 26 far 10 67 15 - 4.4-24.9 HE3 LYS 19 - HG2 LYS 24 far 8 77 10 - 3.6-18.0 HE2 LYS 26 - HG2 LYS 36 far 7 47 15 - 5.0-27.0 HE3 LYS 26 - HG2 LYS 36 far 7 47 15 - 5.1-26.6 HE3 LYS 31 - HG3 LYS 26 far 7 67 10 - 5.8-14.5 HE2 LYS 36 - HG3 LYS 26 far 7 65 10 - 4.6-24.5 HB2 CYS 45 - HG2 LYS 36 poor 6 31 20 - 4.8-12.0 HE3 LYS 26 - HG2 LYS 24 far 4 77 5 - 5.4-12.1 HE3 LYS 36 - HG2 LYS 24 far 4 77 5 - 5.7-27.3 HE2 LYS 36 - HG2 LYS 24 far 4 74 5 - 4.2-26.3 HE3 LYS 24 - HG3 LYS 26 far 3 67 5 - 5.5-12.7 HE2 LYS 24 - HG3 LYS 26 far 3 64 5 - 5.0-12.3 HE2 LYS 31 - HG2 LYS 36 far 2 48 5 - 5.3-13.7 HE3 LYS 31 - HG2 LYS 36 far 2 47 5 - 5.1-14.9 HE2 LYS 26 - HG2 LYS 24 far 0 77 0 - 5.9-12.0 HE2 LYS 24 - HG2 LYS 36 far 0 44 0 - 6.3-27.7 HG CYS 73 - HG2 LYS 36 far 0 24 0 - 6.4-14.5 HE3 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.5-27.2 HE3 LYS 31 - HG2 LYS 24 far 0 77 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 100 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 72 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 77 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 46 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 47 0 - 8.0-27.5 HB2 CYS 45 - HG2 LYS 24 far 0 53 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 100 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 100 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 46 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 48 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 281 from cnoeabs.peaks (8.35, 1.44, 24.61 ppm; 4.38 A): 4 out of 29 assignments used, quality = 1.00: * H LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.8-4.6 6149/3.0=88, 6151/1.8=77...(51) H LYS 24 + HG3 LYS 24 OK 82 82 100 100 1.8-4.1 3.0/484=80, 6223=75...(29) H LYS 26 + HG2 LYS 26 OK 65 65 100 100 2.2-4.5 4.9=70, 6250/3.0=65...(53) H LYS 19 + HG3 LYS 24 OK 20 100 30 68 4.0-16.3 3.0/822=5, 6159/6164=4...(49) H LYS 26 - HG2 LYS 31 poor 19 76 25 - 3.2-15.2 H ALA 28 - HG2 LYS 26 poor 19 63 30 - 4.7-7.4 H LYS 24 - HG3 LYS 19 far 12 83 15 - 4.5-15.4 H LYS 24 - HG2 LYS 26 far 10 67 15 - 3.3-10.6 H LYS 19 - HG2 LYS 31 far 10 98 10 - 4.7-23.1 H GLY 17 - HG3 LYS 19 far 9 60 15 - 5.4-11.0 H LYS 26 - HG3 LYS 24 poor 9 80 30 36 3.6-8.8 4.6/6235=26, 3.6/822=5...(5) H GLY 17 - HG2 LYS 31 far 8 56 15 - 4.4-26.1 H LYS 24 - HG2 LYS 31 far 8 78 10 - 4.6-17.3 H LYS 26 - HG3 LYS 19 far 4 81 5 - 4.5-22.1 H ALA 28 - HG3 LYS 24 far 4 78 5 - 5.5-13.5 H GLY 14 - HG3 LYS 19 lone 0 89 25 2 2.8-16.6 H ALA 28 - HG2 LYS 31 far 0 74 0 - 6.2-11.4 H GLY 17 - HG3 LYS 24 far 0 60 0 - 6.3-18.5 H GLY 14 - HG3 LYS 24 far 0 88 0 - 7.0-23.7 H HIS 3 - HG2 LYS 31 far 0 53 0 - 7.0-50.0 H ALA 28 - HG3 LYS 19 far 0 78 0 - 7.1-22.5 H GLU 44 - HG2 LYS 26 far 0 74 0 - 7.7-28.1 H LYS 19 - HG2 LYS 26 far 0 88 0 - 7.9-23.1 H GLY 14 - HG2 LYS 31 far 0 84 0 - 7.9-23.6 H GLU 44 - HG2 LYS 31 far 0 86 0 - 8.5-22.3 H TYR 72 - HG2 LYS 31 far 0 61 0 - 9.3-19.1 H GLY 17 - HG2 LYS 26 far 0 47 0 - 9.6-24.1 H GLU 44 - HG3 LYS 24 far 0 90 0 - 9.8-27.6 H GLU 44 - HG3 LYS 19 far 0 90 0 - 9.8-37.9 Violated in 0 structures by 0.00 A. Peak 282 from cnoeabs.peaks (4.27, 1.44, 24.61 ppm; 3.96 A): 7 out of 68 assignments used, quality = 1.00: * HA LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.6-4.0 4.2=86, 3.0/6152=46...(40) HA LYS 31 + HG2 LYS 31 OK 94 94 100 100 2.1-4.2 3.8=100 HA LYS 26 + HG2 LYS 26 OK 88 88 100 100 2.3-4.1 4.0=93, 2.9/6252=62...(31) HA THR 25 + HG2 LYS 26 OK 30 58 55 92 4.4-7.2 3.6/6252=54...(25) HA LYS 19 + HG3 LYS 24 OK 25 100 40 64 1.9-15.2 597=6, 241/1.8=5...(20) HA THR 25 + HG3 LYS 24 OK 25 73 35 97 3.0-7.0 ~6234=30, 3.0/6235=28...(30) HA LYS 26 + HG2 LYS 31 OK 24 98 30 81 3.2-15.5 790/3.0=6, 597=6...(39) HA ALA 21 - HG3 LYS 24 poor 19 75 25 - 2.9-11.0 HA THR 18 - HG3 LYS 19 poor 18 71 25 - 5.2-7.2 HA GLN 27 - HG2 LYS 26 poor 15 60 25 - 3.0-6.8 HA THR 25 - HG2 LYS 31 poor 14 69 20 - 2.1-16.1 HA ALA 12 - HG3 LYS 19 far 13 87 15 - 5.2-19.0 HA ARG 23 - HG3 LYS 24 far 13 84 15 - 4.1-7.1 HA LEU 22 - HG3 LYS 24 poor 13 100 30 42 4.0-9.2 6212/6223=12, 375/821=9...(9) HA LYS 31 - HG2 LYS 26 far 12 83 15 - 4.3-17.0 HA ALA 16 - HG2 LYS 31 far 9 94 10 - 4.0-28.1 HA ARG 23 - HG2 LYS 31 far 8 80 10 - 3.9-16.8 HA ARG 23 - HG2 LYS 26 poor 6 69 30 31 1.9-10.9 424/6252=3, 6240/6235=3...(11) HA LYS 26 - HG3 LYS 19 far 5 100 5 - 5.3-21.7 HA ALA 16 - HG3 LYS 19 far 5 98 5 - 5.0-11.8 HA LYS 31 - HG3 LYS 19 far 5 97 5 - 4.9-27.9 HA LYS 36 - HG2 LYS 31 far 5 95 5 - 5.4-17.1 HA LEU 22 - HG2 LYS 26 far 4 88 5 - 4.9-13.9 HA ALA 15 - HG3 LYS 24 far 4 86 5 - 5.0-22.0 HA LYS 36 - HG2 LYS 26 far 4 85 5 - 4.1-27.7 HA ALA 109 - HG2 LYS 26 far 4 83 5 - 4.3-33.1 HA ALA 15 - HG2 LYS 31 far 4 82 5 - 3.6-24.5 HA GLN 61 - HG2 LYS 26 far 4 77 5 - 1.9-24.5 HA GLN 27 - HG3 LYS 24 far 4 75 5 - 5.4-13.3 HA THR 25 - HG3 LYS 19 far 4 73 5 - 5.1-20.2 HA THR 18 - HG3 LYS 24 far 4 70 5 - 3.7-15.7 HA THR 18 - HG2 LYS 31 far 3 66 5 - 2.4-23.7 HA ALA 15 - HG3 LYS 19 lone 0 87 25 1 3.0-14.8 HA LYS 26 - HG3 LYS 24 far 0 100 0 - 5.5-9.6 HA ALA 28 - HG3 LYS 24 far 0 60 0 - 5.5-13.3 HA ALA 28 - HG2 LYS 31 far 0 56 0 - 5.6-11.4 HA ALA 108 - HG3 LYS 24 far 0 97 0 - 5.6-39.9 HA LYS 19 - HG2 LYS 31 far 0 98 0 - 5.8-24.5 HA LYS 31 - HG3 LYS 24 far 0 97 0 - 6.1-18.0 HA GLN 27 - HG2 LYS 31 far 0 71 0 - 6.3-11.7 HA ALA 108 - HG2 LYS 26 far 0 83 0 - 6.4-30.9 HA ALA 110 - HG2 LYS 26 far 0 73 0 - 6.5-34.3 HA ARG 23 - HG3 LYS 19 far 0 85 0 - 6.5-15.5 HA ALA 28 - HG2 LYS 26 far 0 47 0 - 6.6-9.5 HA LYS 36 - HG3 LYS 24 far 0 98 0 - 6.7-27.7 HA ALA 21 - HG2 LYS 26 far 0 60 0 - 6.9-16.4 HA ALA 16 - HG3 LYS 24 far 0 98 0 - 7.1-19.8 HA ALA 28 - HG3 LYS 19 far 0 60 0 - 7.5-22.4 HA LEU 22 - HG3 LYS 19 far 0 100 0 - 7.6-11.9 HA LYS 19 - HG2 LYS 26 far 0 88 0 - 7.6-22.5 HA ALA 109 - HG3 LYS 24 far 0 97 0 - 7.6-42.1 HA ALA 110 - HG3 LYS 19 far 0 89 0 - 7.6-53.8 HA ALA 21 - HG3 LYS 19 far 0 76 0 - 7.7-10.2 HA ALA 12 - HG2 LYS 31 far 0 82 0 - 7.9-26.4 HA ALA 21 - HG2 LYS 31 far 0 71 0 - 7.9-21.0 HA LYS 36 - HG3 LYS 19 far 0 99 0 - 8.1-37.0 HA GLN 61 - HG2 LYS 31 far 0 89 0 - 8.3-22.4 HA LEU 22 - HG2 LYS 31 far 0 98 0 - 8.4-19.0 HA ALA 109 - HG3 LYS 19 far 0 97 0 - 8.5-52.9 HA GLN 61 - HG3 LYS 24 far 0 93 0 - 8.6-24.5 HA ALA 15 - HG2 LYS 26 far 0 71 0 - 8.6-26.7 HA GLN 61 - HG3 LYS 19 far 0 93 0 - 8.6-32.8 HA ALA 12 - HG3 LYS 24 far 0 86 0 - 8.7-22.6 HA GLN 27 - HG3 LYS 19 far 0 76 0 - 9.1-22.4 HA ALA 108 - HG2 LYS 31 far 0 94 0 - 9.6-32.1 HA ALA 108 - HG3 LYS 19 far 0 97 0 - 9.7-51.0 HA SER 74 - HG2 LYS 31 far 0 69 0 - 9.8-25.4 HA ALA 110 - HG3 LYS 24 far 0 88 0 - 9.8-43.9 Violated in 0 structures by 0.00 A. Peak 283 from cnoeabs.peaks (1.75, 1.44, 24.61 ppm; 3.61 A): 6 out of 24 assignments used, quality = 1.00: * HB2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG2 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HG2 LYS 26 OK 23 85 30 91 1.9-15.6 639/1.8=7, 1.8/629=7...(79) HB2 LYS 26 + HG2 LYS 31 OK 22 98 25 91 3.5-15.2 1.8/284=5, 253=5...(100) HB2 LYS 19 - HG3 LYS 24 poor 17 100 25 69 3.6-16.4 495=3, 3.0/822=3...(24) HB2 LYS 19 - HG2 LYS 31 far 10 98 10 - 3.6-24.3 HB2 ARG 23 - HG2 LYS 26 poor 9 87 30 33 2.9-13.2 433/6252=3, 834/1.8=2...(8) HB2 LYS 24 - HG3 LYS 19 far 5 100 5 - 2.7-16.0 HB2 LYS 26 - HG3 LYS 24 far 5 100 5 - 2.9-11.4 HB2 LYS 31 - HG3 LYS 19 far 5 99 5 - 4.6-28.5 HB2 LYS 24 - HG2 LYS 31 far 5 97 5 - 4.1-17.7 HB2 ARG 23 - HG2 LYS 31 far 5 97 5 - 3.9-18.6 HB2 LYS 24 - HG2 LYS 26 far 0 87 0 - 5.2-11.5 HB2 ARG 23 - HG3 LYS 24 far 0 99 0 - 5.7-8.6 HB2 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.0-24.0 HB2 LYS 19 - HG2 LYS 26 far 0 88 0 - 6.0-23.9 HB2 LYS 31 - HG3 LYS 24 far 0 99 0 - 6.7-18.1 HB2 ARG 23 - HG3 LYS 19 far 0 100 0 - 7.5-15.3 HG LEU 100 - HG2 LYS 26 far 0 51 0 - 9.3-23.0 HB2 LEU 43 - HG2 LYS 26 far 0 60 0 - 9.6-29.1 HB2 LYS 39 - HG3 LYS 24 far 0 96 0 - 9.7-30.3 HB2 LYS 39 - HG3 LYS 19 far 0 97 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 284 from cnoeabs.peaks (1.81, 1.44, 24.61 ppm; 3.66 A): 7 out of 33 assignments used, quality = 1.00: * HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 31 + HG2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 31 OK 30 96 35 90 3.6-16.1 619=6, 1.8/823=5...(116) HB3 LYS 31 + HG2 LYS 26 OK 28 88 35 91 2.5-17.3 619=6, 1.8/628=6...(86) HB3 LYS 19 + HG3 LYS 24 OK 20 100 30 68 2.0-15.5 1.8/823=4, 3.0/822=3...(24) HB ILE 32 - HG2 LYS 26 far 13 86 15 - 3.7-17.7 HB3 LYS 24 - HG3 LYS 19 far 10 100 10 - 3.9-16.0 HB3 ARG 23 - HG2 LYS 31 far 9 93 10 - 4.4-18.6 HB2 LYS 36 - HG2 LYS 26 far 9 87 10 - 4.0-27.3 HB3 ARG 23 - HG2 LYS 26 poor 8 82 30 32 2.0-12.6 442/6252=4, 1.8/628=2...(5) HB3 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.5-27.7 HB3 LYS 31 - HG3 LYS 24 far 5 100 5 - 5.0-17.6 HB3 LYS 26 - HG3 LYS 24 far 5 99 5 - 3.6-11.7 HB3 LYS 19 - HG2 LYS 31 far 5 98 5 - 4.2-25.3 HB3 LYS 24 - HG2 LYS 31 far 5 98 5 - 4.5-18.4 HB2 LYS 36 - HG2 LYS 31 far 5 97 5 - 3.7-16.4 HB3 LEU 98 - HG3 LYS 24 far 3 65 5 - 3.0-34.9 HB3 LYS 24 - HG2 LYS 26 far 0 88 0 - 5.5-11.9 HB2 LYS 36 - HG3 LYS 24 far 0 99 0 - 5.5-27.7 HB3 LYS 26 - HG3 LYS 19 far 0 99 0 - 5.6-24.0 HB3 ARG 23 - HG3 LYS 24 far 0 96 0 - 6.1-8.0 HB ILE 32 - HG2 LYS 31 far 0 96 0 - 6.4-8.5 HB3 LYS 19 - HG2 LYS 26 far 0 88 0 - 6.8-23.3 HB ILE 32 - HG3 LYS 24 far 0 99 0 - 6.8-18.6 HB2 CYS 79 - HG3 LYS 19 far 0 65 0 - 7.5-38.9 HB3 LEU 122 - HG3 LYS 24 far 0 86 0 - 7.8-29.5 HB3 ARG 23 - HG3 LYS 19 far 0 97 0 - 8.1-15.4 HB3 LEU 103 - HG2 LYS 26 far 0 69 0 - 8.4-24.6 HB3 LEU 98 - HG2 LYS 26 far 0 51 0 - 8.7-28.6 HB2 LEU 100 - HG2 LYS 26 far 0 83 0 - 9.8-23.7 HB ILE 32 - HG3 LYS 19 far 0 99 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 285 from cnoeabs.peaks (1.36, 1.44, 24.61 ppm; 2.50 A): 4 out of 55 assignments used, quality = 1.00: * HG2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 91 91 100 100 1.8-1.8 1.8=100 HG3 LYS 26 + HG2 LYS 26 OK 73 73 100 100 1.8-1.8 1.8=100 HG3 LYS 31 + HG2 LYS 31 OK 64 64 100 100 1.8-1.8 1.8=100 QB ALA 12 - HG3 LYS 19 far 15 100 15 - 2.7-16.5 QB ALA 28 - HG2 LYS 31 far 12 80 15 - 2.8-9.3 HG2 LYS 19 - HG3 LYS 24 far 5 100 5 - 2.1-17.9 QB ALA 29 - HG3 LYS 24 far 4 90 5 - 3.5-13.3 QB ALA 15 - HG3 LYS 19 far 4 87 5 - 2.8-13.3 QB ALA 15 - HG3 LYS 24 far 4 86 5 - 2.8-17.3 QB ALA 28 - HG3 LYS 24 far 4 84 5 - 3.9-12.7 HG3 LYS 26 - HG2 LYS 31 far 4 84 5 - 3.8-16.9 QB ALA 108 - HG3 LYS 24 far 4 82 5 - 3.1-32.2 QB ALA 15 - HG2 LYS 31 far 4 82 5 - 2.6-22.0 QB ALA 21 - HG3 LYS 24 far 0 75 0 - 4.1-9.9 HG2 LYS 24 - HG3 LYS 19 far 0 92 0 - 4.1-17.9 QB ALA 110 - HG2 LYS 26 far 0 71 0 - 4.2-29.3 HG3 LYS 26 - HG3 LYS 24 far 0 88 0 - 4.4-11.5 HG3 LYS 31 - HG3 LYS 19 far 0 68 0 - 4.5-25.5 QB ALA 29 - HG2 LYS 31 far 0 86 0 - 4.5-9.2 QB ALA 28 - HG3 LYS 19 far 0 85 0 - 4.5-20.6 HG3 LYS 31 - HG2 LYS 26 far 0 54 0 - 4.7-16.4 HG2 LYS 24 - HG2 LYS 26 far 0 76 0 - 4.7-11.2 QB ALA 108 - HG2 LYS 26 far 0 67 0 - 4.8-24.8 QB ALA 21 - HG2 LYS 31 far 0 71 0 - 4.9-19.1 QB ALA 12 - HG2 LYS 31 far 0 97 0 - 5.1-21.9 HG3 LYS 95 - HG3 LYS 24 far 0 80 0 - 5.2-35.5 HG2 LYS 24 - HG2 LYS 31 far 0 87 0 - 5.6-17.7 HG2 LYS 19 - HG2 LYS 31 far 0 98 0 - 5.6-25.5 QB ALA 109 - HG2 LYS 26 far 0 58 0 - 5.6-28.0 HG3 LYS 31 - HG3 LYS 24 far 0 68 0 - 5.7-17.0 QB ALA 21 - HG3 LYS 19 far 0 76 0 - 5.8-8.5 QB ALA 28 - HG2 LYS 26 far 0 69 0 - 5.9-8.4 QB ALA 29 - HG2 LYS 26 far 0 74 0 - 6.0-10.1 QB ALA 109 - HG3 LYS 19 far 0 73 0 - 6.0-42.7 HG2 LYS 36 - HG3 LYS 24 far 0 90 0 - 6.1-25.7 HG2 LYS 95 - HG3 LYS 24 far 0 75 0 - 6.2-35.3 HG2 LYS 36 - HG2 LYS 31 far 0 86 0 - 6.3-14.0 HG2 LYS 36 - HG2 LYS 26 far 0 74 0 - 6.3-25.0 QB ALA 12 - HG3 LYS 24 far 0 99 0 - 6.4-17.3 QB ALA 46 - HG2 LYS 26 far 0 60 0 - 6.7-19.8 QB ALA 110 - HG3 LYS 19 far 0 87 0 - 7.3-45.2 QB ALA 109 - HG3 LYS 24 far 0 73 0 - 7.4-33.8 QB ALA 21 - HG2 LYS 26 far 0 60 0 - 7.5-14.5 QB ALA 29 - HG3 LYS 19 far 0 90 0 - 7.7-21.6 HG3 LYS 26 - HG3 LYS 19 far 0 89 0 - 7.8-23.7 QB ALA 46 - HG3 LYS 19 far 0 76 0 - 8.1-31.4 HG2 LYS 36 - HG3 LYS 19 far 0 90 0 - 8.2-34.3 QB ALA 15 - HG2 LYS 26 far 0 71 0 - 8.2-21.4 HG2 LYS 19 - HG2 LYS 26 far 0 88 0 - 8.7-25.7 QB ALA 108 - HG2 LYS 31 far 0 78 0 - 8.8-25.8 QB ALA 108 - HG3 LYS 19 far 0 83 0 - 8.8-41.7 QB ALA 46 - HG2 LYS 31 far 0 71 0 - 9.3-17.7 QB ALA 110 - HG3 LYS 24 far 0 86 0 - 9.6-37.0 QB ALA 12 - HG2 LYS 26 far 0 87 0 - 9.8-21.9 Violated in 0 structures by 0.00 A. Peak 286 from cnoeabs.peaks (1.44, 1.44, 24.61 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 HG3 LYS 24 + HG3 LYS 24 OK 100 100 - 100 HG2 LYS 31 + HG2 LYS 31 OK 98 98 - 100 HG2 LYS 26 + HG2 LYS 26 OK 82 82 - 100 Peak 287 from cnoeabs.peaks (1.65, 1.44, 24.61 ppm; 3.82 A): 9 out of 49 assignments used, quality = 1.00: HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.2-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 31 OK 22 94 25 94 4.2-17.6 3.5/823=4, 3.5/989=3...(140) HD3 LYS 24 - HG3 LYS 19 poor 19 97 20 - 4.4-17.3 HD2 LYS 24 - HG3 LYS 19 far 14 96 15 - 4.4-17.3 HD3 LYS 19 - HG3 LYS 24 poor 12 100 25 47 2.0-17.8 3.9/525=2, 3.9/526=2...(4) HD2 LYS 19 - HG3 LYS 24 poor 11 100 25 43 2.7-16.7 3.9/525=2, 3.9/526=2...(4) HG3 ARG 23 - HG2 LYS 26 far 9 60 15 - 4.2-13.7 HD3 LYS 31 - HG2 LYS 26 far 8 82 10 - 4.2-16.2 HB2 LEU 98 - HG3 LYS 24 far 5 100 5 - 3.2-36.3 HD2 LYS 26 - HG2 LYS 31 far 5 93 5 - 3.5-18.0 HD3 LYS 24 - HG2 LYS 26 far 4 82 5 - 3.7-12.2 HD2 LYS 31 - HG2 LYS 26 far 4 80 5 - 5.0-16.2 HD2 LYS 24 - HG2 LYS 26 far 4 80 5 - 5.1-12.8 HD2 LYS 36 - HG3 LYS 24 far 4 80 5 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 4 76 5 - 5.3-13.7 HG3 ARG 23 - HG2 LYS 31 far 4 71 5 - 4.3-19.8 HD2 LYS 36 - HG2 LYS 26 far 3 65 5 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 31 far 0 92 0 - 5.5-17.2 HD3 LYS 19 - HG2 LYS 31 far 0 98 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 98 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 65 0 - 5.7-24.0 HG3 ARG 23 - HG3 LYS 19 far 0 76 0 - 5.7-14.4 HD3 LYS 26 - HG3 LYS 24 far 0 98 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 76 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 96 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 93 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 80 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 95 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 96 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 87 0 - 7.1-30.0 HG3 ARG 23 - HG3 LYS 24 far 0 75 0 - 7.1-9.6 HB2 LEU 69 - HG2 LYS 31 far 0 78 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 97 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 98 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 96 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 99 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 60 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 88 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 88 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 88 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 288 from cnoeabs.peaks (1.65, 1.44, 24.61 ppm; 3.82 A): 9 out of 49 assignments used, quality = 1.00: * HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.2-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 31 OK 22 94 25 94 4.2-17.6 3.5/823=4, 3.5/989=3...(140) HD3 LYS 24 - HG3 LYS 19 poor 19 97 20 - 4.4-17.3 HD2 LYS 24 - HG3 LYS 19 far 14 96 15 - 4.4-17.3 HD3 LYS 19 - HG3 LYS 24 poor 12 100 25 47 2.0-17.8 3.9/525=2, 3.9/526=2...(4) HD2 LYS 19 - HG3 LYS 24 poor 11 100 25 43 2.7-16.7 3.9/525=2, 3.9/526=2...(4) HG3 ARG 23 - HG2 LYS 26 far 9 60 15 - 4.2-13.7 HD3 LYS 31 - HG2 LYS 26 far 8 82 10 - 4.2-16.2 HB2 LEU 98 - HG3 LYS 24 far 5 100 5 - 3.2-36.3 HD2 LYS 26 - HG2 LYS 31 far 5 93 5 - 3.5-18.0 HD3 LYS 24 - HG2 LYS 26 far 4 82 5 - 3.7-12.2 HD2 LYS 31 - HG2 LYS 26 far 4 80 5 - 5.0-16.2 HD2 LYS 24 - HG2 LYS 26 far 4 80 5 - 5.1-12.8 HD2 LYS 36 - HG3 LYS 24 far 4 80 5 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 4 76 5 - 5.3-13.7 HG3 ARG 23 - HG2 LYS 31 far 4 71 5 - 4.3-19.8 HD2 LYS 36 - HG2 LYS 26 far 3 65 5 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 31 far 0 92 0 - 5.5-17.2 HD3 LYS 19 - HG2 LYS 31 far 0 98 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 98 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 65 0 - 5.7-24.0 HG3 ARG 23 - HG3 LYS 19 far 0 76 0 - 5.7-14.4 HD3 LYS 26 - HG3 LYS 24 far 0 98 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 76 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 96 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 93 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 80 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 95 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 96 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 87 0 - 7.1-30.0 HG3 ARG 23 - HG3 LYS 24 far 0 75 0 - 7.1-9.6 HB2 LEU 69 - HG2 LYS 31 far 0 78 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 97 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 98 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 96 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 99 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 60 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 88 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 88 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 88 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 289 from cnoeabs.peaks (2.96, 1.44, 24.61 ppm; 4.70 A): 8 out of 42 assignments used, quality = 1.00: * HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-4.2 4.0=100 HE3 LYS 19 + HG3 LYS 19 OK 99 99 100 100 2.3-3.8 3.8=100 HE2 LYS 31 + HG2 LYS 31 OK 96 96 100 100 2.3-4.1 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 94 94 100 100 2.1-4.2 3.7=100 HE2 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 84 84 100 100 2.0-4.0 3.6=100 HE2 LYS 24 - HG3 LYS 19 poor 20 100 20 - 3.4-18.5 HE3 LYS 24 - HG3 LYS 19 poor 20 100 20 - 4.8-19.1 HE2 LYS 26 - HG2 LYS 31 poor 19 94 20 - 3.8-19.7 HE3 LYS 26 - HG2 LYS 31 poor 19 94 20 - 5.3-19.4 HE2 LYS 31 - HG2 LYS 26 poor 17 86 20 - 5.4-15.0 HE2 LYS 36 - HG2 LYS 31 far 15 98 15 - 4.9-14.4 HE2 LYS 19 - HG3 LYS 24 poor 14 100 25 57 3.7-17.8 5.1/525=3, 5.1/526=2...(9) HE3 LYS 19 - HG3 LYS 24 poor 14 99 25 57 4.5-18.1 5.1/525=3, 5.1/526=2...(8) HE3 LYS 36 - HG2 LYS 31 far 10 97 10 - 5.4-14.2 HE2 LYS 36 - HG3 LYS 24 far 5 100 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 5 100 5 - 4.8-25.5 HE2 LYS 24 - HG2 LYS 31 far 5 97 5 - 3.3-18.4 HE3 LYS 24 - HG2 LYS 31 far 5 97 5 - 4.0-19.0 HE2 LYS 24 - HG2 LYS 26 far 4 87 5 - 5.9-13.2 HE3 LYS 24 - HG2 LYS 26 far 4 87 5 - 6.0-13.5 HE3 LYS 31 - HG2 LYS 26 far 4 84 5 - 6.0-14.4 HE2 LYS 36 - HG2 LYS 26 lone 4 88 30 15 4.1-24.5 10766/908=1 HE3 LYS 36 - HG2 LYS 26 lone 3 87 25 12 3.8-24.9 10766/908=2 HE3 LYS 26 - HG3 LYS 24 far 0 98 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 98 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 70 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 90 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 98 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 86 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 96 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 99 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 98 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 98 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 74 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 98 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 99 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 98 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 90 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 100 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 290 from cnoeabs.peaks (2.96, 1.44, 24.61 ppm; 4.71 A): 8 out of 41 assignments used, quality = 1.00: * HE3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 99 99 100 100 2.3-4.0 3.8=100 HE2 LYS 31 + HG2 LYS 31 OK 98 98 100 100 2.3-4.1 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 98 98 100 100 2.0-3.9 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.1-4.2 3.7=100 HE2 LYS 26 + HG2 LYS 26 OK 87 87 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 87 87 100 100 2.0-4.0 3.6=100 HE3 LYS 24 - HG3 LYS 19 poor 20 100 20 - 4.8-19.1 HE2 LYS 24 - HG3 LYS 19 poor 20 98 20 - 3.4-18.5 HE2 LYS 26 - HG2 LYS 31 poor 19 97 20 - 3.8-19.7 HE3 LYS 26 - HG2 LYS 31 poor 19 97 20 - 5.3-19.4 HE2 LYS 31 - HG2 LYS 26 poor 18 88 20 - 5.4-15.0 HE2 LYS 36 - HG2 LYS 31 far 14 96 15 - 4.9-14.4 HE3 LYS 19 - HG3 LYS 24 poor 14 100 25 57 4.5-18.1 5.1/525=3, 5.1/526=2...(8) HE2 LYS 19 - HG3 LYS 24 poor 14 99 25 57 3.7-17.8 5.1/525=3, 5.1/526=2...(9) HE3 LYS 36 - HG2 LYS 31 far 10 97 10 - 5.4-14.2 HE3 LYS 36 - HG3 LYS 24 far 5 100 5 - 4.8-25.5 HE2 LYS 36 - HG3 LYS 24 far 5 99 5 - 3.2-24.6 HE3 LYS 24 - HG2 LYS 31 far 5 97 5 - 4.0-19.0 HE2 LYS 24 - HG2 LYS 31 far 5 94 5 - 3.3-18.4 HE3 LYS 24 - HG2 LYS 26 far 4 87 5 - 6.0-13.5 HE3 LYS 31 - HG2 LYS 26 far 4 87 5 - 6.0-14.4 HE2 LYS 24 - HG2 LYS 26 far 4 84 5 - 5.9-13.2 HE2 LYS 36 - HG2 LYS 26 lone 4 85 30 15 4.1-24.5 10766/908=1 HE3 LYS 36 - HG2 LYS 26 lone 3 87 25 12 3.8-24.9 10757/908=2 HE3 LYS 26 - HG3 LYS 24 far 0 100 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 100 0 - 6.7-12.9 HB3 ASN 121 - HG3 LYS 24 far 0 97 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 74 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 98 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 96 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 100 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 63 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 100 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 78 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 100 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 292 from cnoeabs.peaks (8.35, 1.65, 28.90 ppm; 6.80 A): 16 out of 60 assignments used, quality = 1.00: * H LYS 19 + HD2 LYS 19 OK 100 100 100 100 1.9-5.3 6.2=100 H LYS 19 + HD3 LYS 19 OK 100 100 100 100 3.3-5.1 6.2=100 H LYS 26 + HD3 LYS 26 OK 71 71 100 100 3.5-5.4 5.7=100 H LYS 24 + HD3 LYS 24 OK 68 68 100 100 2.1-5.9 5.9=100 H LYS 26 + HD2 LYS 26 OK 66 66 100 100 2.3-5.7 5.7=100 H LYS 24 + HD2 LYS 24 OK 66 66 100 100 1.9-5.6 5.9=100 H ALA 28 + HD3 LYS 26 OK 65 69 100 94 4.6-8.1 10769/3.5=66...(7) H ALA 28 + HD2 LYS 26 OK 57 64 95 94 3.6-8.6 10769/3.5=66...(7) H LYS 26 + HD3 LYS 31 OK 41 66 65 96 5.2-13.7 ~790=7, ~822=6, ~595=6...(95) H LYS 19 + HD3 LYS 24 OK 38 90 45 93 3.9-15.4 281/3.0=7, ~822=6...(86) H LYS 19 + HD2 LYS 24 OK 37 87 45 94 5.4-15.5 281/3.0=7, ~822=6...(88) H LYS 26 + HD2 LYS 31 OK 37 64 60 96 5.1-14.0 ~790=7, ~822=6, ~595=6...(90) H LYS 26 + HD3 LYS 24 OK 36 66 80 67 3.0-10.1 3.6/11832=29...(8) H LYS 26 + HD2 LYS 24 OK 26 64 65 64 3.6-10.0 4.6/6237=25...(8) H ALA 28 + HD2 LYS 31 OK 26 62 55 76 4.0-10.6 10771/1.8=31, 10771=28...(22) H ALA 28 + HD3 LYS 31 OK 24 64 50 76 4.8-10.2 10771/1.8=37, 10771=23...(25) H ALA 28 - HD3 LYS 24 poor 19 64 30 - 4.7-13.2 H LYS 24 - HD2 LYS 26 poor 15 68 70 31 4.6-11.7 4.6/6237=16, 4.6/3938=5...(9) H LYS 24 - HD2 LYS 31 poor 13 66 20 - 5.7-17.0 H LYS 19 - HD2 LYS 31 far 13 87 15 - 5.6-22.1 H LYS 24 - HD3 LYS 26 poor 12 73 60 28 5.8-10.7 4.6/6237=11, 4.6/3938=5...(9) H GLY 17 - HD3 LYS 24 poor 12 48 25 - 6.3-18.0 H LYS 24 - HD3 LYS 31 far 10 68 15 - 6.9-18.4 H GLY 17 - HD3 LYS 31 poor 10 48 20 - 5.5-27.2 H LYS 19 - HD3 LYS 31 far 9 90 10 - 6.3-22.9 H LYS 26 - HD3 LYS 19 far 8 81 10 - 5.0-22.4 H ALA 28 - HD2 LYS 19 far 8 78 10 - 6.1-22.8 H ALA 28 - HD3 LYS 19 far 8 78 10 - 6.5-23.8 H GLY 14 - HD3 LYS 24 far 7 74 10 - 7.6-22.9 H GLY 14 - HD2 LYS 24 far 7 71 10 - 7.0-23.3 H GLY 17 - HD2 LYS 31 far 7 46 15 - 3.7-25.7 H GLY 17 - HD2 LYS 24 far 7 46 15 - 6.5-18.4 H LYS 19 - HD3 LYS 26 far 5 94 5 - 6.6-21.2 H LYS 19 - HD2 LYS 26 far 4 90 5 - 7.1-20.9 H LYS 24 - HD2 LYS 19 lone 4 83 35 14 5.3-14.1 424/5.2=5, 4.1/305=2...(5) H GLU 44 - HD3 LYS 26 far 4 81 5 - 5.9-29.1 H LYS 26 - HD2 LYS 19 far 4 81 5 - 5.4-20.7 H GLU 44 - HD2 LYS 26 far 4 76 5 - 6.4-29.4 H GLU 44 - HD3 LYS 31 far 4 76 5 - 7.1-21.1 H GLU 44 - HD3 LYS 24 far 4 76 5 - 7.6-28.0 H GLY 14 - HD3 LYS 31 far 4 74 5 - 7.7-24.5 H GLU 44 - HD2 LYS 31 far 4 73 5 - 6.4-22.7 H GLU 44 - HD2 LYS 24 far 4 73 5 - 7.8-29.5 H LYS 24 - HD3 LYS 19 lone 3 83 25 12 4.0-15.8 424/5.2=5, 5.1/828=2...(4) H GLY 17 - HD2 LYS 19 lone 2 60 40 10 5.1-10.9 236/10696=3, ~10667=3 H HIS 3 - HD3 LYS 31 far 2 46 5 - 7.2-51.0 H ALA 28 - HD2 LYS 24 lone 2 62 35 10 4.9-14.1 10772/10696=4...(3) H GLY 17 - HD3 LYS 19 lone 2 60 35 10 5.6-10.7 236/10696=3, ~10667=3 H HIS 3 - HD2 LYS 31 far 2 44 5 - 7.8-51.2 H GLY 14 - HD2 LYS 19 lone 2 89 50 4 2.6-18.0 270/3.0=1 H GLY 14 - HD3 LYS 19 lone 2 89 40 4 4.3-18.2 270/3.0=1 H TYR 72 - HD3 LYS 31 far 0 53 0 - 8.4-18.2 H GLY 17 - HD3 LYS 26 far 0 52 0 - 8.4-21.9 H TYR 72 - HD2 LYS 31 far 0 50 0 - 8.8-17.5 H GLU 44 - HD2 LYS 19 far 0 90 0 - 8.9-37.7 H TYR 72 - HD2 LYS 26 far 0 53 0 - 9.1-21.9 H GLY 14 - HD2 LYS 31 far 0 71 0 - 9.2-24.0 H GLY 17 - HD2 LYS 26 far 0 48 0 - 9.2-22.2 H TYR 72 - HD3 LYS 26 far 0 57 0 - 9.4-21.3 H HIS 3 - HD2 LYS 26 far 0 46 0 - 9.6-54.3 Violated in 0 structures by 0.00 A. Peak 293 from cnoeabs.peaks (4.27, 1.65, 28.90 ppm; 4.40 A): 15 out of 138 assignments used, quality = 1.00: HA LYS 19 + HD3 LYS 19 OK 99 100 100 99 2.0-4.8 5.2=62, ~6151=29...(43) * HA LYS 19 + HD2 LYS 19 OK 99 100 100 99 2.0-4.5 5.2=62, ~6151=29...(43) HA LYS 26 + HD3 LYS 26 OK 93 94 100 99 2.1-5.1 5.0=69, ~6252=37...(32) HA LYS 26 + HD2 LYS 26 OK 89 89 100 99 2.1-5.4 5.0=69, ~6252=37...(33) HA LYS 31 + HD3 LYS 31 OK 84 84 100 99 2.0-4.9 5.2=60, ~6332=29...(36) HA LYS 31 + HD2 LYS 31 OK 81 82 100 99 2.0-5.4 5.2=60, ~6332=29...(36) HA THR 25 + HD3 LYS 24 OK 31 60 55 95 3.3-8.1 ~6234=26, 11128/3.5=21...(26) HA LYS 19 + HD3 LYS 24 OK 31 90 40 86 2.2-14.1 822/3.0=5, 241/3.0=4...(79) HA LYS 19 + HD2 LYS 24 OK 27 87 35 90 3.3-14.3 822/3.0=5, 241/3.0=4...(113) HA THR 25 + HD2 LYS 24 OK 27 57 50 95 2.7-7.9 ~6234=26, 11128/3.5=21...(26) HA THR 25 + HD2 LYS 26 OK 27 60 50 89 3.7-8.6 582/5.7=26, 11128/3.5=17...(22) HA LYS 31 + HD3 LYS 26 OK 26 89 30 98 4.2-17.5 3.0/6336=6, 790/3.5=4...(181) HA THR 25 + HD3 LYS 26 OK 23 64 40 90 4.5-8.0 582/5.7=26, 11128/3.5=17...(22) HA LYS 31 + HD2 LYS 26 OK 21 84 25 98 4.7-17.2 3.0/6336=5, ~6336=4...(187) HA LYS 26 + HD2 LYS 31 OK 20 87 25 93 2.5-14.0 790/3.5=6, 822/2.9=6...(111) HA ARG 23 - HD3 LYS 26 poor 19 75 40 61 3.6-13.1 4.9/11449=11...(17) HA LYS 26 - HD3 LYS 31 poor 18 89 20 - 4.2-13.7 HA ARG 23 - HD2 LYS 26 poor 18 70 45 55 3.1-12.9 3.8/3938=3, 627/2.9=2...(15) HA ALA 12 - HD2 LYS 19 poor 17 87 20 - 4.1-20.6 HA GLN 27 - HD3 LYS 26 poor 17 66 25 - 4.8-8.0 HA GLN 27 - HD2 LYS 26 poor 15 62 25 - 4.9-7.8 HA THR 18 - HD2 LYS 19 poor 14 71 20 - 2.6-7.9 HA ALA 12 - HD3 LYS 19 far 13 87 15 - 3.2-20.9 HA ALA 15 - HD2 LYS 19 far 13 87 15 - 4.3-14.9 HA ARG 23 - HD3 LYS 24 poor 13 70 30 60 3.5-8.6 424/5.9=29, ~821=7...(17) HA ALA 21 - HD3 LYS 24 poor 12 62 20 - 3.1-12.2 HA ARG 23 - HD2 LYS 24 poor 12 68 30 59 3.9-8.4 424/5.9=29, ~821=7...(17) HA ALA 21 - HD2 LYS 24 poor 12 59 20 - 3.9-12.1 HA LEU 22 - HD2 LYS 24 poor 9 87 30 35 2.8-10.2 11967/3.0=8, 6212/5.9=6...(9) HA GLN 27 - HD2 LYS 31 far 9 59 15 - 4.9-12.0 HA ALA 15 - HD3 LYS 19 far 9 87 10 - 4.4-14.7 HA THR 18 - HD3 LYS 24 far 9 57 15 - 2.0-15.2 HA LYS 36 - HD2 LYS 26 far 9 86 10 - 4.9-28.2 HA THR 25 - HD2 LYS 31 far 9 57 15 - 4.3-15.2 HA LEU 22 - HD3 LYS 24 poor 8 89 25 35 3.9-9.9 11967/3.0=8, 6212/5.9=6...(9) HA ALA 15 - HD3 LYS 31 far 7 72 10 - 5.3-25.6 HA ALA 28 - HD3 LYS 31 far 7 48 15 - 5.2-12.0 HA THR 18 - HD3 LYS 19 far 7 71 10 - 4.3-7.5 HA ALA 28 - HD2 LYS 31 far 7 46 15 - 4.6-12.8 HA GLN 27 - HD3 LYS 24 far 6 62 10 - 4.5-14.4 HA THR 25 - HD3 LYS 31 far 6 60 10 - 4.3-14.5 HA GLN 27 - HD2 LYS 24 far 6 59 10 - 5.6-13.6 HA LYS 31 - HD2 LYS 19 far 5 97 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 5 97 5 - 3.5-28.9 HA LYS 36 - HD3 LYS 26 far 5 91 5 - 5.8-27.5 HA LYS 26 - HD3 LYS 24 far 4 89 5 - 4.6-10.7 HA LEU 22 - HD2 LYS 26 far 4 89 5 - 5.5-15.0 HA ALA 109 - HD3 LYS 26 far 4 89 5 - 4.8-33.6 HA ALA 108 - HD2 LYS 26 far 4 84 5 - 4.8-33.2 HA GLN 61 - HD3 LYS 26 far 4 84 5 - 4.2-26.3 HA ALA 16 - HD2 LYS 31 far 4 83 5 - 4.9-27.6 HA GLN 61 - HD2 LYS 26 far 4 79 5 - 4.2-27.0 HA ALA 110 - HD3 LYS 26 far 4 79 5 - 4.9-35.3 HA THR 25 - HD2 LYS 19 far 4 73 5 - 4.9-18.6 HA THR 25 - HD3 LYS 19 far 4 73 5 - 5.3-20.4 HA ALA 15 - HD3 LYS 24 far 4 72 5 - 5.0-21.8 HA ALA 15 - HD2 LYS 24 far 3 70 5 - 5.4-22.2 HA ALA 15 - HD2 LYS 31 far 3 70 5 - 5.7-24.6 HA ARG 23 - HD2 LYS 31 far 3 68 5 - 5.6-16.4 HA ALA 21 - HD3 LYS 26 far 3 66 5 - 5.8-15.9 HA GLN 27 - HD3 LYS 31 far 3 62 5 - 5.8-11.4 HA THR 18 - HD3 LYS 31 far 3 57 5 - 4.8-24.1 HA THR 18 - HD2 LYS 24 far 3 55 5 - 3.6-15.2 HA THR 18 - HD2 LYS 31 far 3 55 5 - 4.8-23.0 HA ALA 28 - HD2 LYS 26 far 2 48 5 - 4.8-10.6 HA ALA 21 - HD3 LYS 19 far 0 76 0 - 5.9-10.7 HA ALA 28 - HD3 LYS 26 far 0 52 0 - 6.0-9.9 HA GLN 61 - HD3 LYS 31 far 0 79 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 83 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 87 0 - 6.0-10.6 HA LEU 22 - HD2 LYS 19 far 0 100 0 - 6.1-11.8 HA ALA 109 - HD2 LYS 26 far 0 84 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 85 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 89 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 70 0 - 6.2-17.8 HA ALA 28 - HD2 LYS 24 far 0 46 0 - 6.3-14.3 HA ALA 16 - HD2 LYS 19 far 0 98 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 85 0 - 6.3-29.1 HA ALA 28 - HD3 LYS 24 far 0 48 0 - 6.5-13.5 HA LEU 22 - HD3 LYS 19 far 0 100 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 94 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 85 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 74 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 94 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 76 0 - 6.6-24.1 HA ALA 16 - HD3 LYS 19 far 0 98 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 76 0 - 6.7-11.4 HA ALA 110 - HD2 LYS 19 far 0 89 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 79 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 100 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 72 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 83 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 85 0 - 7.0-14.4 HA ALA 16 - HD2 LYS 24 far 0 83 0 - 7.2-19.6 HA SER 74 - HD3 LYS 31 far 0 60 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 62 0 - 7.2-16.4 HA ALA 28 - HD2 LYS 19 far 0 60 0 - 7.3-23.0 HA LYS 19 - HD3 LYS 31 far 0 90 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 76 0 - 7.5-26.2 HA GLN 27 - HD2 LYS 19 far 0 76 0 - 7.5-22.5 HA ALA 108 - HD3 LYS 24 far 0 84 0 - 7.5-40.8 HA ALA 28 - HD3 LYS 19 far 0 60 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 70 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 86 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 86 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 90 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 93 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 82 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 87 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 87 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 89 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 77 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 82 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 62 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 72 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 57 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 76 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 93 0 - 8.4-32.0 HA LYS 31 - HD3 LYS 24 far 0 84 0 - 8.4-19.1 HA ALA 109 - HD3 LYS 24 far 0 84 0 - 8.5-43.2 HA ALA 109 - HD3 LYS 19 far 0 97 0 - 8.6-51.0 HA ALA 109 - HD2 LYS 19 far 0 97 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 57 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 59 0 - 8.9-21.4 HA ALA 16 - HD3 LYS 26 far 0 90 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 97 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 89 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 62 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 84 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 82 0 - 9.5-32.1 HA ALA 12 - HD2 LYS 31 far 0 70 0 - 9.6-26.0 HA ALA 12 - HD3 LYS 31 far 0 72 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 97 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 82 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 92 0 - 9.8-33.3 HA ALA 16 - HD2 LYS 26 far 0 85 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 99 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 294 from cnoeabs.peaks (1.75, 1.65, 28.90 ppm; 6.80 A): 21 out of 51 assignments used, quality = 1.00: * HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.5-4.2 3.9=100 HB2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.1-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 1.9-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.9-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 26 OK 61 87 70 100 3.3-16.0 ~629=9, 639/2.9=9...(220) HB2 LYS 26 + HD2 LYS 31 OK 61 87 70 100 4.5-13.8 10770/10771=27...(257) HB2 LYS 31 + HD3 LYS 26 OK 59 92 65 100 2.4-15.6 4.0/6336=9, ~629=9...(204) HB2 ARG 23 + HD2 LYS 24 OK 58 86 75 90 5.8-9.7 6213/5.9=42, 481/5.4=16...(52) HB2 ARG 23 + HD2 LYS 26 OK 50 88 65 88 2.0-13.7 ~11618=10, 433/5.7=7...(106) HB2 LYS 26 + HD3 LYS 31 OK 49 90 55 100 4.1-13.7 10770/10771=23...(286) HB2 ARG 23 + HD3 LYS 26 OK 47 93 55 93 3.3-13.9 3.7/11449=25...(110) HB2 ARG 23 + HD3 LYS 24 OK 47 88 60 89 4.5-9.5 6213/5.9=42, 481/5.4=16...(47) HB2 LYS 19 + HD3 LYS 24 OK 40 90 45 100 4.7-15.4 823/3.0=6, ~822=6...(227) HB2 LYS 24 + HD3 LYS 19 OK 31 100 40 77 2.7-16.8 790/5.2=3, 613/2.9=2...(73) HB2 LYS 19 + HD2 LYS 24 OK 30 87 35 100 3.7-16.1 823/3.0=6, ~822=6...(231) HB2 LYS 24 + HD2 LYS 19 OK 26 100 35 74 4.1-16.1 790/5.2=3, 2.9/828=2...(63) HB2 LYS 24 + HD2 LYS 26 OK 22 89 60 40 6.1-12.1 4.7/6237=16...(5) HB2 ARG 23 - HD3 LYS 31 poor 18 88 20 - 6.2-18.0 HB2 LYS 31 - HD3 LYS 24 poor 17 87 20 - 6.2-19.4 HB2 LYS 26 - HD2 LYS 24 poor 17 87 20 - 3.6-12.6 HB2 LYS 24 - HD2 LYS 31 poor 17 86 20 - 4.7-17.2 HB2 LYS 24 - HD3 LYS 26 poor 16 94 50 34 7.4-10.5 4.7/6237=11...(4) HB2 LYS 31 - HD2 LYS 19 far 15 99 15 - 4.9-28.2 HB2 LYS 24 - HD3 LYS 31 far 13 89 15 - 5.9-18.6 HB2 ARG 23 - HD2 LYS 31 far 13 86 15 - 5.5-17.1 HB2 LYS 31 - HD2 LYS 24 far 13 84 15 - 6.7-18.3 HB2 ARG 23 - HD2 LYS 19 far 10 100 10 - 6.4-15.0 HB2 ARG 23 - HD3 LYS 19 far 10 100 10 - 8.0-15.0 HB2 LYS 31 - HD3 LYS 19 far 10 99 10 - 5.5-29.5 HB2 LYS 19 - HD3 LYS 26 far 9 94 10 - 5.6-21.9 HB2 LYS 19 - HD3 LYS 31 far 9 90 10 - 4.6-23.5 HB2 LYS 19 - HD2 LYS 26 far 9 90 10 - 6.2-21.7 HB2 LYS 19 - HD2 LYS 31 far 9 87 10 - 5.1-23.0 HB2 LYS 26 - HD3 LYS 24 poor 8 90 30 28 2.0-12.6 11151/11832=10...(5) HB2 LYS 26 - HD3 LYS 19 far 5 100 5 - 6.6-24.6 HB2 LYS 26 - HD2 LYS 19 far 5 100 5 - 7.2-22.8 HB2 LEU 43 - HD3 LYS 24 far 3 62 5 - 7.6-30.2 HB2 LEU 43 - HD2 LYS 24 far 0 59 0 - 8.4-31.6 HB2 LYS 39 - HD3 LYS 24 far 0 83 0 - 8.5-31.4 HB2 LEU 43 - HD2 LYS 31 far 0 59 0 - 8.6-24.3 HB2 LEU 43 - HD3 LYS 31 far 0 62 0 - 9.5-22.7 HG LEU 100 - HD2 LYS 31 far 0 50 0 - 9.6-21.5 HB2 LEU 43 - HD3 LYS 26 far 0 66 0 - 9.7-30.1 HB2 LYS 39 - HD2 LYS 19 far 0 97 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 53 0 - 9.9-21.8 HB2 LEU 43 - HD2 LYS 26 far 0 62 0 - 9.9-30.2 HB2 LYS 39 - HD2 LYS 24 far 0 80 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 295 from cnoeabs.peaks (1.81, 1.65, 28.90 ppm; 4.08 A): 14 out of 61 assignments used, quality = 1.00: HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.1-3.7 3.9=100 * HB3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.7 3.9=100 HB3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.0-4.1 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.1-3.8 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.5-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-4.0 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 26 OK 35 94 40 94 3.4-17.4 629/2.9=7, 273/2.9=5...(99) HB3 LYS 31 + HD2 LYS 26 OK 34 90 40 96 2.9-17.3 629/2.9=7, 273/2.9=5...(127) HB3 LYS 19 + HD2 LYS 24 OK 27 87 35 90 2.0-16.0 2631=4, 824/3.0=3...(114) HB3 LYS 19 + HD3 LYS 24 OK 26 90 35 84 3.5-15.3 2632=3, 824/3.0=3...(79) HB3 LYS 26 + HD2 LYS 31 OK 24 84 30 97 4.2-14.4 284/2.9=4, 835/2.9=4...(180) HB ILE 32 + HD3 LYS 31 OK 22 88 30 83 4.1-9.2 3.0/10763=7, 10752/5.2=7...(52) HB3 LYS 24 - HD3 LYS 19 poor 20 100 20 - 2.0-16.3 HB ILE 32 - HD3 LYS 26 poor 19 92 25 82 4.0-17.6 3.0/10763=7, 2.1/10812=7...(41) HB2 LYS 36 - HD3 LYS 26 poor 19 93 20 - 4.4-27.1 HB2 LYS 36 - HD2 LYS 26 poor 18 88 20 - 5.1-27.9 HB ILE 32 - HD2 LYS 26 poor 18 88 20 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 poor 17 87 20 - 4.5-14.4 HB3 ARG 23 - HD3 LYS 26 poor 17 88 30 63 2.9-14.6 3.7/11449=12...(14) HB3 ARG 23 - HD2 LYS 26 poor 17 83 35 57 2.9-14.2 ~11618=3, 442/5.7=3...(17) HB3 LYS 24 - HD2 LYS 19 far 15 100 15 - 3.7-15.7 HB3 LYS 31 - HD2 LYS 19 far 5 100 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 5 100 5 - 4.1-28.8 HB3 LYS 26 - HD3 LYS 24 far 4 87 5 - 3.7-12.3 HB3 LYS 24 - HD2 LYS 31 far 4 87 5 - 5.4-17.9 HB2 LYS 36 - HD2 LYS 31 far 4 86 5 - 5.0-15.5 HB ILE 32 - HD2 LYS 31 far 4 85 5 - 5.5-9.5 HB3 LYS 26 - HD2 LYS 24 far 4 84 5 - 5.1-12.6 HB3 ARG 23 - HD3 LYS 24 far 4 83 5 - 5.2-9.3 HB3 LEU 98 - HD3 LYS 24 far 3 53 5 - 4.2-35.7 HB3 LEU 98 - HD2 LYS 24 far 3 50 5 - 4.6-36.8 HB2 LYS 36 - HD2 LYS 24 far 0 86 0 - 5.7-27.6 HB2 LYS 36 - HD3 LYS 31 far 0 88 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 80 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 90 0 - 5.9-24.7 HB3 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 80 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 83 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 89 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 89 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.5-21.2 HB3 LYS 19 - HD3 LYS 26 far 0 94 0 - 6.5-21.5 HB3 ARG 23 - HD2 LYS 19 far 0 97 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 90 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 88 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 99 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 88 0 - 7.1-19.3 HB3 LYS 26 - HD2 LYS 19 far 0 99 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 72 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 87 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.7-11.2 HB ILE 32 - HD3 LYS 19 far 0 99 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 99 0 - 8.1-28.1 HB3 LEU 122 - HD2 LYS 24 far 0 70 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 65 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 85 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 75 0 - 8.8-25.3 HB2 CYS 79 - HD2 LYS 19 far 0 65 0 - 9.2-37.9 Violated in 0 structures by 0.00 A. Peak 296 from cnoeabs.peaks (1.36, 1.65, 28.90 ppm; 3.67 A): 8 out of 109 assignments used, quality = 1.00: HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 * HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 79 79 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 78 78 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 75 75 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 74 74 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 55 55 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 53 53 100 100 2.2-3.0 2.9=100 QB ALA 12 - HD2 LYS 19 poor 20 100 20 - 2.2-15.1 HG2 LYS 24 - HD3 LYS 19 poor 18 92 20 - 2.1-17.8 HG2 LYS 19 - HD3 LYS 24 poor 18 90 20 - 2.7-16.9 QB ALA 28 - HD3 LYS 31 poor 18 70 25 - 2.9-9.7 QB ALA 28 - HD2 LYS 31 poor 17 68 25 - 2.1-10.6 HG2 LYS 19 - HD2 LYS 24 poor 16 87 25 74 3.0-17.8 277=3, 3.0/2631=2...(14) QB ALA 29 - HD3 LYS 31 poor 15 76 20 - 3.0-9.8 HG2 LYS 24 - HD2 LYS 19 far 14 92 15 - 3.2-16.1 QB ALA 15 - HD2 LYS 19 far 13 87 15 - 3.7-12.8 HG3 LYS 26 - HD3 LYS 31 far 11 74 15 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 far 11 72 15 - 3.8-22.6 QB ALA 15 - HD3 LYS 19 far 9 87 10 - 3.8-12.9 QB ALA 29 - HD3 LYS 26 far 8 81 10 - 4.5-11.4 QB ALA 21 - HD3 LYS 19 far 8 76 10 - 4.5-8.8 QB ALA 21 - HD2 LYS 19 far 8 76 10 - 4.8-9.4 QB ALA 29 - HD2 LYS 31 far 7 73 10 - 2.5-9.8 QB ALA 28 - HD2 LYS 24 far 7 68 10 - 4.4-13.3 QB ALA 21 - HD3 LYS 24 far 6 62 10 - 4.6-10.6 HG3 LYS 31 - HD2 LYS 26 far 6 55 10 - 4.8-17.0 QB ALA 12 - HD3 LYS 24 far 4 88 5 - 4.3-18.1 QB ALA 28 - HD3 LYS 19 far 4 85 5 - 4.6-21.9 HG2 LYS 36 - HD3 LYS 26 far 4 81 5 - 5.1-24.7 QB ALA 110 - HD3 LYS 26 far 4 77 5 - 2.4-29.3 QB ALA 29 - HD2 LYS 26 far 4 76 5 - 4.7-11.1 HG3 LYS 26 - HD3 LYS 24 far 4 74 5 - 3.7-11.0 QB ALA 108 - HD3 LYS 26 far 4 73 5 - 4.8-26.0 QB ALA 15 - HD3 LYS 24 far 4 72 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 4 72 5 - 3.6-30.2 HG3 LYS 26 - HD2 LYS 31 far 4 71 5 - 3.6-15.7 QB ALA 28 - HD3 LYS 24 far 4 70 5 - 4.8-12.7 QB ALA 15 - HD2 LYS 31 far 3 70 5 - 3.6-21.3 QB ALA 15 - HD2 LYS 24 far 3 70 5 - 4.1-17.3 QB ALA 108 - HD3 LYS 24 far 3 68 5 - 4.5-33.1 HG3 LYS 31 - HD3 LYS 19 far 3 68 5 - 4.1-26.6 HG3 LYS 31 - HD2 LYS 19 far 3 68 5 - 4.6-25.3 HG3 LYS 95 - HD3 LYS 24 far 3 66 5 - 3.7-36.4 QB ALA 108 - HD2 LYS 24 far 3 66 5 - 5.1-33.9 HG3 LYS 95 - HD2 LYS 24 far 3 64 5 - 3.4-37.4 QB ALA 109 - HD3 LYS 26 far 3 64 5 - 5.1-28.1 HG2 LYS 95 - HD3 LYS 24 far 3 62 5 - 4.1-36.2 QB ALA 109 - HD2 LYS 26 far 3 60 5 - 4.4-27.7 QB ALA 21 - HD2 LYS 24 far 3 59 5 - 3.9-10.7 HG3 LYS 31 - HD3 LYS 26 far 3 59 5 - 3.0-16.8 HG2 LYS 95 - HD2 LYS 24 far 3 59 5 - 4.4-37.2 QB ALA 12 - HD3 LYS 19 lone 0 100 25 1 2.1-15.8 HG2 LYS 24 - HD3 LYS 26 far 0 82 0 - 5.2-11.4 QB ALA 29 - HD2 LYS 24 far 0 73 0 - 5.3-13.3 HG3 LYS 26 - HD2 LYS 24 far 0 71 0 - 5.3-11.0 QB ALA 29 - HD3 LYS 24 far 0 76 0 - 5.3-12.6 QB ALA 28 - HD2 LYS 26 far 0 70 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 86 0 - 5.6-18.4 QB ALA 21 - HD2 LYS 31 far 0 59 0 - 5.6-19.4 HG2 LYS 24 - HD2 LYS 26 far 0 78 0 - 5.8-11.1 QB ALA 21 - HD3 LYS 31 far 0 62 0 - 5.8-20.4 HG2 LYS 36 - HD2 LYS 26 far 0 76 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 55 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 85 0 - 5.9-21.1 HG3 LYS 31 - HD2 LYS 24 far 0 53 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 68 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 75 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 73 0 - 6.2-13.5 QB ALA 21 - HD3 LYS 26 far 0 66 0 - 6.3-14.8 QB ALA 12 - HD3 LYS 31 far 0 88 0 - 6.4-22.7 QB ALA 109 - HD3 LYS 19 far 0 73 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 86 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 76 0 - 6.7-13.2 HG2 LYS 36 - HD2 LYS 24 far 0 73 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 87 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 78 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 75 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 90 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 73 0 - 7.1-42.5 QB ALA 15 - HD2 LYS 26 far 0 72 0 - 7.2-19.7 HG2 LYS 19 - HD3 LYS 31 far 0 90 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 77 0 - 7.4-19.3 QB ALA 21 - HD2 LYS 26 far 0 62 0 - 7.4-14.7 QB ALA 29 - HD2 LYS 19 far 0 90 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 66 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 19 far 0 87 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 94 0 - 7.8-23.7 QB ALA 46 - HD3 LYS 26 far 0 66 0 - 8.0-20.2 QB ALA 109 - HD3 LYS 24 far 0 60 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 76 0 - 8.1-26.2 QB ALA 108 - HD3 LYS 31 far 0 68 0 - 8.2-26.1 QB ALA 109 - HD2 LYS 24 far 0 57 0 - 8.3-35.6 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.4-23.4 QB ALA 46 - HD2 LYS 19 far 0 76 0 - 8.6-31.0 QB ALA 46 - HD2 LYS 26 far 0 62 0 - 8.7-20.1 QB ALA 46 - HD2 LYS 31 far 0 59 0 - 8.9-17.7 QB ALA 108 - HD3 LYS 19 far 0 83 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 83 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.2-24.1 QB ALA 46 - HD3 LYS 24 far 0 62 0 - 9.2-22.1 QB ALA 46 - HD3 LYS 31 far 0 62 0 - 9.3-16.6 HG3 LYS 26 - HD2 LYS 19 far 0 89 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 70 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 90 0 - 9.4-35.1 HB2 LEU 42 - HD3 LYS 26 far 0 84 0 - 9.8-27.9 QB ALA 46 - HD3 LYS 19 far 0 76 0 - 9.9-32.3 HB2 LEU 96 - HD3 LYS 24 far 0 76 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 297 from cnoeabs.peaks (1.44, 1.65, 28.90 ppm; 3.33 A): 9 out of 56 assignments used, quality = 1.00: HG3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.3-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 88 88 100 100 2.2-2.9 2.9=100 HG3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 83 83 100 100 2.2-3.0 2.9=100 HG13 ILE 32 + HD2 LYS 31 OK 21 86 40 63 3.3-9.3 10757/5.2=8, 6333/6.2=6...(31) HG13 ILE 32 - HD3 LYS 31 poor 16 88 30 62 2.0-10.3 10757/5.2=8, 6333/6.2=6...(32) HG13 ILE 32 - HD2 LYS 26 poor 16 88 30 60 2.5-16.4 ~10767=7, ~10704=5...(29) HG3 LYS 19 - HD3 LYS 24 far 13 90 15 - 4.4-17.3 HG13 ILE 32 - HD3 LYS 26 poor 13 93 25 56 2.0-15.6 ~10704=5, 920/10763=4...(28) HG2 LYS 31 - HD3 LYS 26 far 9 94 10 - 4.2-17.6 HG3 LYS 19 - HD2 LYS 24 far 9 87 10 - 4.4-17.3 HG2 LYS 26 - HD3 LYS 31 far 8 83 10 - 4.2-16.2 HG3 LYS 24 - HD3 LYS 19 lone 5 100 25 20 2.0-17.8 823/3.9=2, 526/3.9=2, 822/5.2=2 HG2 LYS 31 - HD2 LYS 26 far 4 89 5 - 3.5-18.0 HG2 LYS 26 - HD3 LYS 24 far 4 83 5 - 3.7-12.2 HG3 LYS 24 - HD2 LYS 19 lone 4 100 25 16 2.7-16.7 823/3.9=2, 526/3.9=2, 822/5.2=2 HG3 LYS 36 - HD3 LYS 26 far 3 66 5 - 3.6-25.1 QB ALA 34 - HD2 LYS 26 far 0 57 0 - 4.9-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 80 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 24 far 0 80 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 62 0 - 5.1-26.0 HG2 LYS 31 - HD2 LYS 24 far 0 87 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 59 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 62 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 100 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 100 0 - 5.7-26.4 HG3 LYS 36 - HD2 LYS 31 far 0 59 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 94 0 - 5.9-11.9 HG3 LYS 24 - HD2 LYS 26 far 0 89 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 89 0 - 6.0-17.5 HG13 ILE 32 - HD3 LYS 19 far 0 100 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 62 0 - 6.2-20.6 HG3 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 62 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 87 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 100 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.8-25.5 QB ALA 34 - HD2 LYS 24 far 0 55 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 57 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 88 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 86 0 - 7.4-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 94 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 57 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 55 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 97 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 97 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 79 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 76 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 76 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 76 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 298 from cnoeabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 * HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 90 90 - 100 HD3 LYS 31 + HD3 LYS 31 OK 83 83 - 100 HD2 LYS 26 + HD2 LYS 26 OK 83 83 - 100 HD3 LYS 24 + HD3 LYS 24 OK 83 83 - 100 HD2 LYS 24 + HD2 LYS 24 OK 79 79 - 100 HD2 LYS 31 + HD2 LYS 31 OK 79 79 - 100 Peak 299 from cnoeabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 90 90 - 100 HD3 LYS 31 + HD3 LYS 31 OK 83 83 - 100 HD2 LYS 26 + HD2 LYS 26 OK 83 83 - 100 HD3 LYS 24 + HD3 LYS 24 OK 83 83 - 100 HD2 LYS 24 + HD2 LYS 24 OK 79 79 - 100 HD2 LYS 31 + HD2 LYS 31 OK 79 79 - 100 Reference assignment not found: HD3 LYS 19 - HD2 LYS 19 Peak 300 from cnoeabs.peaks (2.96, 1.65, 28.90 ppm; 3.66 A): 16 out of 87 assignments used, quality = 1.00: HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.4-3.0 2.9=100 HE3 LYS 26 + HD3 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 90 90 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 85 85 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 83 83 100 100 2.2-3.0 3.0=100 HE2 LYS 24 - HD2 LYS 19 poor 20 100 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 20 100 20 - 2.7-18.2 HE2 LYS 36 - HD3 LYS 26 poor 19 94 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 19 94 20 - 3.8-24.9 HE3 LYS 24 - HD3 LYS 19 far 15 100 15 - 2.2-19.0 HE3 LYS 36 - HD2 LYS 26 far 13 89 15 - 3.3-25.8 HE3 LYS 19 - HD3 LYS 24 far 13 88 15 - 3.7-17.8 HE3 LYS 19 - HD2 LYS 24 far 13 85 15 - 3.9-18.3 HE3 LYS 24 - HD2 LYS 19 far 10 100 10 - 2.9-18.4 HE2 LYS 36 - HD2 LYS 26 far 9 89 10 - 1.9-25.5 HE2 LYS 19 - HD3 LYS 24 far 9 90 10 - 4.2-18.5 HE2 LYS 31 - HD3 LYS 26 far 5 92 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 4 90 5 - 4.6-14.9 HE2 LYS 36 - HD3 LYS 31 far 4 89 5 - 4.3-12.0 HE2 LYS 24 - HD3 LYS 31 far 4 89 5 - 4.7-18.8 HE3 LYS 24 - HD3 LYS 31 far 4 89 5 - 5.0-18.2 HE2 LYS 31 - HD2 LYS 26 far 4 88 5 - 3.3-15.6 HE2 LYS 36 - HD2 LYS 31 far 4 87 5 - 4.6-13.1 HE3 LYS 26 - HD3 LYS 31 far 4 85 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 4 85 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 4 85 5 - 4.9-15.3 HE3 LYS 26 - HD2 LYS 31 far 0 83 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 87 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 87 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 76 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 89 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 85 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 86 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 83 0 - 6.0-18.3 HE2 LYS 31 - HD2 LYS 19 far 0 99 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 57 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 86 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 85 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 99 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 73 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 81 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 76 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 83 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 89 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 86 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 83 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 83 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 89 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 73 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 98 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 85 0 - 7.5-19.1 HB2 CYS 45 - HD3 LYS 24 far 0 76 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 98 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 89 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 76 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 88 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 100 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 100 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 90 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 55 0 - 8.1-36.9 HE3 LYS 19 - HD2 LYS 31 far 0 85 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 53 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 85 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 73 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 88 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 87 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 98 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 100 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 100 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 92 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 98 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 301 from cnoeabs.peaks (2.96, 1.65, 28.90 ppm; 3.66 A): 16 out of 84 assignments used, quality = 1.00: HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 * HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 83 83 100 100 2.2-3.0 3.0=100 HE2 LYS 24 - HD2 LYS 19 poor 20 98 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 20 98 20 - 2.7-18.2 HE3 LYS 36 - HD3 LYS 26 poor 19 94 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 18 92 20 - 2.9-24.6 HE3 LYS 24 - HD3 LYS 19 far 15 100 15 - 2.2-19.0 HE3 LYS 19 - HD3 LYS 24 far 13 90 15 - 3.7-17.8 HE3 LYS 36 - HD2 LYS 26 far 13 89 15 - 3.3-25.8 HE3 LYS 19 - HD2 LYS 24 far 13 87 15 - 3.9-18.3 HE3 LYS 24 - HD2 LYS 19 far 10 100 10 - 2.9-18.4 HE2 LYS 19 - HD3 LYS 24 far 9 88 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 9 87 10 - 1.9-25.5 HE2 LYS 31 - HD3 LYS 26 far 5 94 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 5 94 5 - 4.6-14.9 HE2 LYS 31 - HD2 LYS 26 far 4 90 5 - 3.3-15.6 HE3 LYS 26 - HD3 LYS 31 far 4 89 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 4 89 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 4 89 5 - 4.9-15.3 HE3 LYS 24 - HD3 LYS 31 far 4 89 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 31 far 4 87 5 - 4.3-12.0 HE2 LYS 24 - HD3 LYS 31 far 4 85 5 - 4.7-18.8 HE2 LYS 36 - HD2 LYS 31 far 4 84 5 - 4.6-13.1 HE3 LYS 26 - HD2 LYS 31 far 0 86 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 84 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 85 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 84 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 87 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 89 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 83 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 86 0 - 6.0-18.3 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 86 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 89 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 82 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 69 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 64 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 86 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 85 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 86 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 26 far 0 90 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 86 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 89 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 62 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 89 0 - 7.5-19.1 HB2 CYS 45 - HD3 LYS 24 far 0 64 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 89 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 64 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 90 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 100 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 100 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 88 0 - 7.9-25.4 HE3 LYS 19 - HD2 LYS 31 far 0 87 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 87 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 62 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 90 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 85 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 99 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 99 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 94 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 303 from cnoeabs.peaks (8.35, 1.65, 28.90 ppm; 5.91 A): 13 out of 60 assignments used, quality = 1.00: H LYS 19 + HD2 LYS 19 OK 100 100 100 100 1.9-5.3 6149/3.9=98, 6.2=86...(76) * H LYS 19 + HD3 LYS 19 OK 100 100 100 100 3.3-5.1 6149/3.9=98, 6.2=86...(76) H LYS 26 + HD3 LYS 26 OK 71 71 100 100 3.5-5.4 5.7=100 H LYS 24 + HD3 LYS 24 OK 68 68 100 100 2.1-5.9 5.9=100 H LYS 26 + HD2 LYS 26 OK 66 66 100 100 2.3-5.7 5.7=100 H LYS 24 + HD2 LYS 24 OK 65 66 100 100 1.9-5.6 5.9=100 H LYS 19 + HD3 LYS 24 OK 32 90 40 89 3.9-15.4 281/3.0=7, 6153=5...(78) H ALA 28 + HD2 LYS 26 OK 32 64 55 90 3.6-8.6 10769/3.5=59...(6) H ALA 28 + HD3 LYS 26 OK 31 69 50 90 4.6-8.1 10769/3.5=59...(6) H LYS 26 + HD2 LYS 31 OK 26 64 45 91 5.1-14.0 ~790=6, ~822=5, ~595=5...(81) H LYS 19 + HD2 LYS 24 OK 24 87 30 90 5.4-15.5 281/3.0=7, 6153/1.8=5...(81) H LYS 26 + HD2 LYS 24 OK 22 64 60 58 3.6-10.0 4.6/555=21, 3.6/11832=20...(8) H LYS 26 + HD3 LYS 31 OK 21 66 35 92 5.2-13.7 ~790=6, ~822=5, ~595=5...(87) H ALA 28 - HD3 LYS 31 poor 19 64 30 - 4.8-10.2 H ALA 28 - HD2 LYS 31 poor 15 62 35 71 4.0-10.6 10771/1.8=29, 10771=28...(19) H LYS 26 - HD3 LYS 24 poor 14 66 35 61 3.0-10.1 3.6/11832=25, 4.6/555=20...(8) H GLY 17 - HD2 LYS 19 poor 12 60 20 - 5.1-10.9 H GLY 17 - HD3 LYS 19 poor 12 60 20 - 5.6-10.7 H LYS 24 - HD2 LYS 31 far 10 66 15 - 5.7-17.0 H ALA 28 - HD3 LYS 24 far 10 64 15 - 4.7-13.2 H ALA 28 - HD2 LYS 24 far 9 62 15 - 4.9-14.1 H LYS 19 - HD3 LYS 31 far 9 90 10 - 6.3-22.9 H LYS 19 - HD2 LYS 31 far 9 87 10 - 5.6-22.1 H GLY 17 - HD3 LYS 24 far 7 48 15 - 6.3-18.0 H GLY 14 - HD2 LYS 24 far 7 71 10 - 7.0-23.3 H LYS 24 - HD3 LYS 26 poor 7 73 40 24 5.8-10.7 4.6/6237=9, 4.6/3938=4...(9) H LYS 24 - HD3 LYS 31 far 7 68 10 - 6.9-18.4 H LYS 24 - HD2 LYS 26 poor 6 68 35 26 4.6-11.7 4.6/6237=13, 4.6/3938=4...(8) H GLY 17 - HD3 LYS 31 far 5 48 10 - 5.5-27.2 H LYS 19 - HD3 LYS 26 far 5 94 5 - 6.6-21.2 H LYS 19 - HD2 LYS 26 far 4 90 5 - 7.1-20.9 H LYS 26 - HD3 LYS 19 far 4 81 5 - 5.0-22.4 H GLU 44 - HD3 LYS 26 far 4 81 5 - 5.9-29.1 H LYS 26 - HD2 LYS 19 far 4 81 5 - 5.4-20.7 H ALA 28 - HD2 LYS 19 far 4 78 5 - 6.1-22.8 H ALA 28 - HD3 LYS 19 far 4 78 5 - 6.5-23.8 H GLU 44 - HD2 LYS 26 far 4 76 5 - 6.4-29.4 H GLU 44 - HD3 LYS 31 far 4 76 5 - 7.1-21.1 H GLU 44 - HD2 LYS 31 far 4 73 5 - 6.4-22.7 H GLY 17 - HD2 LYS 31 far 2 46 5 - 3.7-25.7 H LYS 24 - HD2 LYS 19 lone 2 83 25 11 5.3-14.1 424/5.2=4, 4.1/305=2...(4) H GLY 17 - HD2 LYS 24 far 2 46 5 - 6.5-18.4 H HIS 3 - HD3 LYS 31 far 2 46 5 - 7.2-51.0 H LYS 24 - HD3 LYS 19 lone 2 83 25 10 4.0-15.8 424/5.2=4, 4.1/305=1, 5.1/828=1 H GLY 14 - HD2 LYS 19 lone 1 89 40 3 2.6-18.0 270/3.0=1 H GLY 14 - HD3 LYS 19 lone 1 89 35 3 4.3-18.2 270/3.0=1 H GLU 44 - HD3 LYS 24 far 0 76 0 - 7.6-28.0 H GLY 14 - HD3 LYS 24 far 0 74 0 - 7.6-22.9 H GLY 14 - HD3 LYS 31 far 0 74 0 - 7.7-24.5 H HIS 3 - HD2 LYS 31 far 0 44 0 - 7.8-51.2 H GLU 44 - HD2 LYS 24 far 0 73 0 - 7.8-29.5 H TYR 72 - HD3 LYS 31 far 0 53 0 - 8.4-18.2 H GLY 17 - HD3 LYS 26 far 0 52 0 - 8.4-21.9 H TYR 72 - HD2 LYS 31 far 0 50 0 - 8.8-17.5 H GLU 44 - HD2 LYS 19 far 0 90 0 - 8.9-37.7 H TYR 72 - HD2 LYS 26 far 0 53 0 - 9.1-21.9 H GLY 14 - HD2 LYS 31 far 0 71 0 - 9.2-24.0 H GLY 17 - HD2 LYS 26 far 0 48 0 - 9.2-22.2 H TYR 72 - HD3 LYS 26 far 0 57 0 - 9.4-21.3 H HIS 3 - HD2 LYS 26 far 0 46 0 - 9.6-54.3 Violated in 0 structures by 0.00 A. Peak 304 from cnoeabs.peaks (4.27, 1.65, 28.90 ppm; 4.19 A): 13 out of 138 assignments used, quality = 1.00: * HA LYS 19 + HD3 LYS 19 OK 98 100 100 98 2.0-4.8 5.2=54, ~6151=26...(43) HA LYS 19 + HD2 LYS 19 OK 98 100 100 98 2.0-4.5 5.2=54, ~6151=26...(43) HA LYS 26 + HD3 LYS 26 OK 92 94 100 98 2.1-5.1 5.0=60, ~6252=33...(32) HA LYS 26 + HD2 LYS 26 OK 88 89 100 98 2.1-5.4 5.0=60, ~6252=33...(33) HA LYS 31 + HD3 LYS 31 OK 83 84 100 98 2.0-4.9 5.2=52, ~6332=25...(36) HA LYS 31 + HD2 LYS 31 OK 80 82 100 98 2.0-5.4 5.2=52, ~6332=25...(36) HA LYS 19 + HD3 LYS 24 OK 30 90 40 83 2.2-14.1 822/3.0=5, 241/3.0=4...(68) HA THR 25 + HD2 LYS 24 OK 27 57 50 93 2.7-7.9 ~6234=23, 11128/3.5=20...(26) HA LYS 31 + HD3 LYS 26 OK 26 89 30 97 4.2-17.5 3.0/6336=5, 790/3.5=4...(165) HA THR 25 + HD3 LYS 24 OK 25 60 45 93 3.3-8.1 ~6234=23, 11128/3.5=20...(26) HA THR 25 + HD2 LYS 26 OK 23 60 45 86 3.7-8.6 582/5.7=23, 11128/3.5=16...(22) HA LYS 19 + HD2 LYS 24 OK 23 87 30 88 3.3-14.3 822/3.0=5, 241/3.0=4...(77) HA THR 25 + HD3 LYS 26 OK 22 64 40 87 4.5-8.0 582/5.7=23, 11128/3.5=16...(22) HA LYS 26 - HD2 LYS 31 poor 20 87 25 91 2.5-14.0 790/3.5=6, 822/2.9=5...(79) HA LYS 26 - HD3 LYS 31 poor 18 89 20 - 4.2-13.7 HA ARG 23 - HD3 LYS 26 poor 17 75 40 58 3.6-13.1 4.9/11449=10...(13) HA ALA 12 - HD2 LYS 19 poor 17 87 20 - 4.1-20.6 HA ARG 23 - HD2 LYS 24 poor 17 68 25 - 3.9-8.4 HA ARG 23 - HD2 LYS 26 poor 15 70 40 52 3.1-12.9 3.8/3938=2, 627/2.9=2...(10) HA THR 18 - HD2 LYS 19 poor 14 71 20 - 2.6-7.9 HA ALA 12 - HD3 LYS 19 far 13 87 15 - 3.2-20.9 HA ALA 15 - HD2 LYS 19 far 13 87 15 - 4.3-14.9 HA LYS 31 - HD2 LYS 26 far 13 84 15 - 4.7-17.2 HA ALA 21 - HD3 LYS 24 poor 12 62 20 - 3.1-12.2 HA GLN 27 - HD2 LYS 26 poor 12 62 20 - 4.9-7.8 HA ARG 23 - HD3 LYS 24 poor 12 70 30 55 3.5-8.6 424/5.9=25, ~821=6...(16) HA GLN 27 - HD3 LYS 26 far 10 66 15 - 4.8-8.0 HA ALA 21 - HD2 LYS 24 far 9 59 15 - 3.9-12.1 HA ALA 15 - HD3 LYS 19 far 9 87 10 - 4.4-14.7 HA THR 18 - HD3 LYS 24 far 9 57 15 - 2.0-15.2 HA THR 25 - HD2 LYS 31 far 9 57 15 - 4.3-15.2 HA LEU 22 - HD2 LYS 24 poor 8 87 30 32 2.8-10.2 11967/3.0=7, 6212/5.9=6...(9) HA ALA 15 - HD3 LYS 31 far 7 72 10 - 5.3-25.6 HA ALA 28 - HD3 LYS 31 far 7 48 15 - 5.2-12.0 HA THR 18 - HD3 LYS 19 far 7 71 10 - 4.3-7.5 HA LEU 22 - HD3 LYS 24 poor 7 89 25 32 3.9-9.9 11967/3.0=7, 6212/5.9=6...(9) HA ALA 28 - HD2 LYS 31 far 7 46 15 - 4.6-12.8 HA GLN 27 - HD3 LYS 24 far 6 62 10 - 4.5-14.4 HA THR 25 - HD3 LYS 31 far 6 60 10 - 4.3-14.5 HA LYS 31 - HD2 LYS 19 far 5 97 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 5 97 5 - 3.5-28.9 HA LYS 26 - HD3 LYS 24 far 4 89 5 - 4.6-10.7 HA LEU 22 - HD2 LYS 26 far 4 89 5 - 5.5-15.0 HA ALA 109 - HD3 LYS 26 far 4 89 5 - 4.8-33.6 HA LYS 36 - HD2 LYS 26 far 4 86 5 - 4.9-28.2 HA ALA 108 - HD2 LYS 26 far 4 84 5 - 4.8-33.2 HA GLN 61 - HD3 LYS 26 far 4 84 5 - 4.2-26.3 HA ALA 16 - HD2 LYS 31 far 4 83 5 - 4.9-27.6 HA GLN 61 - HD2 LYS 26 far 4 79 5 - 4.2-27.0 HA ALA 110 - HD3 LYS 26 far 4 79 5 - 4.9-35.3 HA THR 25 - HD2 LYS 19 far 4 73 5 - 4.9-18.6 HA THR 25 - HD3 LYS 19 far 4 73 5 - 5.3-20.4 HA ALA 15 - HD3 LYS 24 far 4 72 5 - 5.0-21.8 HA ALA 15 - HD2 LYS 24 far 3 70 5 - 5.4-22.2 HA ALA 15 - HD2 LYS 31 far 3 70 5 - 5.7-24.6 HA ARG 23 - HD2 LYS 31 far 3 68 5 - 5.6-16.4 HA GLN 27 - HD2 LYS 31 far 3 59 5 - 4.9-12.0 HA GLN 27 - HD2 LYS 24 far 3 59 5 - 5.6-13.6 HA THR 18 - HD3 LYS 31 far 3 57 5 - 4.8-24.1 HA THR 18 - HD2 LYS 24 far 3 55 5 - 3.6-15.2 HA THR 18 - HD2 LYS 31 far 3 55 5 - 4.8-23.0 HA ALA 28 - HD2 LYS 26 far 2 48 5 - 4.8-10.6 HA GLN 27 - HD3 LYS 31 far 0 62 0 - 5.8-11.4 HA LYS 36 - HD3 LYS 26 far 0 91 0 - 5.8-27.5 HA ALA 21 - HD3 LYS 26 far 0 66 0 - 5.8-15.9 HA ALA 21 - HD3 LYS 19 far 0 76 0 - 5.9-10.7 HA ALA 28 - HD3 LYS 26 far 0 52 0 - 6.0-9.9 HA GLN 61 - HD3 LYS 31 far 0 79 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 83 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 87 0 - 6.0-10.6 HA LEU 22 - HD2 LYS 19 far 0 100 0 - 6.1-11.8 HA ALA 109 - HD2 LYS 26 far 0 84 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 85 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 89 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 70 0 - 6.2-17.8 HA ALA 28 - HD2 LYS 24 far 0 46 0 - 6.3-14.3 HA ALA 16 - HD2 LYS 19 far 0 98 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 85 0 - 6.3-29.1 HA ALA 28 - HD3 LYS 24 far 0 48 0 - 6.5-13.5 HA LEU 22 - HD3 LYS 19 far 0 100 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 94 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 85 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 74 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 94 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 76 0 - 6.6-24.1 HA ALA 16 - HD3 LYS 19 far 0 98 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 76 0 - 6.7-11.4 HA ALA 110 - HD2 LYS 19 far 0 89 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 79 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 100 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 72 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 83 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 85 0 - 7.0-14.4 HA ALA 16 - HD2 LYS 24 far 0 83 0 - 7.2-19.6 HA SER 74 - HD3 LYS 31 far 0 60 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 62 0 - 7.2-16.4 HA ALA 28 - HD2 LYS 19 far 0 60 0 - 7.3-23.0 HA LYS 19 - HD3 LYS 31 far 0 90 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 76 0 - 7.5-26.2 HA GLN 27 - HD2 LYS 19 far 0 76 0 - 7.5-22.5 HA ALA 108 - HD3 LYS 24 far 0 84 0 - 7.5-40.8 HA ALA 28 - HD3 LYS 19 far 0 60 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 70 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 86 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 86 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 90 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 93 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 82 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 87 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 87 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 89 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 77 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 82 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 62 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 72 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 57 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 76 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 93 0 - 8.4-32.0 HA LYS 31 - HD3 LYS 24 far 0 84 0 - 8.4-19.1 HA ALA 109 - HD3 LYS 24 far 0 84 0 - 8.5-43.2 HA ALA 109 - HD3 LYS 19 far 0 97 0 - 8.6-51.0 HA ALA 109 - HD2 LYS 19 far 0 97 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 57 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 59 0 - 8.9-21.4 HA ALA 16 - HD3 LYS 26 far 0 90 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 97 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 89 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 62 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 84 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 82 0 - 9.5-32.1 HA ALA 12 - HD2 LYS 31 far 0 70 0 - 9.6-26.0 HA ALA 12 - HD3 LYS 31 far 0 72 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 97 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 82 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 92 0 - 9.8-33.3 HA ALA 16 - HD2 LYS 26 far 0 85 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 99 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 305 from cnoeabs.peaks (1.75, 1.65, 28.90 ppm; 4.93 A): 15 out of 51 assignments used, quality = 1.00: HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-4.1 3.9=100 * HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.5-4.2 3.9=100 HB2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.1-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 1.9-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.9-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 26 OK 50 92 55 99 2.4-15.6 639/2.9=8, 628/2.9=8...(173) HB2 LYS 31 + HD2 LYS 26 OK 43 87 50 99 3.3-16.0 639/2.9=8, 628/2.9=8...(189) HB2 LYS 26 + HD2 LYS 31 OK 35 87 40 100 4.5-13.8 10770/10771=16...(200) HB2 LYS 26 + HD3 LYS 31 OK 31 90 35 100 4.1-13.7 10770/10771=13...(222) HB2 LYS 19 + HD3 LYS 24 OK 26 90 30 97 4.7-15.4 823/3.0=5, 1.8/2632=4...(163) HB2 ARG 23 + HD3 LYS 26 OK 26 93 35 80 3.3-13.9 3.7/11449=17...(51) HB2 LYS 19 + HD2 LYS 24 OK 25 87 30 97 3.7-16.1 823/3.0=5, 1.8/2631=4...(160) HB2 LYS 24 - HD2 LYS 19 poor 19 100 35 54 4.1-16.1 790/5.2=2, 514/3.0=2...(10) HB2 ARG 23 - HD2 LYS 26 poor 19 88 30 71 2.0-13.7 ~11618=5, 433/5.7=4...(50) HB2 ARG 23 - HD2 LYS 24 poor 15 86 25 71 5.8-9.7 6213/5.9=24, 481/5.4=10...(27) HB2 LYS 24 - HD3 LYS 19 poor 14 100 25 58 2.7-16.8 790/5.2=2, 514/3.0=2...(9) HB2 LYS 24 - HD2 LYS 26 far 9 89 10 - 6.1-12.1 HB2 ARG 23 - HD3 LYS 24 far 9 88 10 - 4.5-9.5 HB2 ARG 23 - HD3 LYS 31 far 9 88 10 - 6.2-18.0 HB2 LYS 31 - HD2 LYS 19 far 5 99 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 5 99 5 - 5.5-29.5 HB2 LYS 19 - HD3 LYS 26 far 5 94 5 - 5.6-21.9 HB2 LYS 26 - HD3 LYS 24 far 4 90 5 - 2.0-12.6 HB2 LYS 19 - HD3 LYS 31 far 4 90 5 - 4.6-23.5 HB2 LYS 19 - HD2 LYS 26 far 4 90 5 - 6.2-21.7 HB2 LYS 24 - HD3 LYS 31 far 4 89 5 - 5.9-18.6 HB2 LYS 26 - HD2 LYS 24 far 4 87 5 - 3.6-12.6 HB2 LYS 19 - HD2 LYS 31 far 4 87 5 - 5.1-23.0 HB2 LYS 31 - HD3 LYS 24 far 4 87 5 - 6.2-19.4 HB2 LYS 24 - HD2 LYS 31 far 4 86 5 - 4.7-17.2 HB2 ARG 23 - HD2 LYS 31 far 4 86 5 - 5.5-17.1 HB2 ARG 23 - HD2 LYS 19 far 0 100 0 - 6.4-15.0 HB2 LYS 26 - HD3 LYS 19 far 0 100 0 - 6.6-24.6 HB2 LYS 31 - HD2 LYS 24 far 0 84 0 - 6.7-18.3 HB2 LYS 26 - HD2 LYS 19 far 0 100 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.4-10.5 HB2 LEU 43 - HD3 LYS 24 far 0 62 0 - 7.6-30.2 HB2 ARG 23 - HD3 LYS 19 far 0 100 0 - 8.0-15.0 HB2 LEU 43 - HD2 LYS 24 far 0 59 0 - 8.4-31.6 HB2 LYS 39 - HD3 LYS 24 far 0 83 0 - 8.5-31.4 HB2 LEU 43 - HD2 LYS 31 far 0 59 0 - 8.6-24.3 HB2 LEU 43 - HD3 LYS 31 far 0 62 0 - 9.5-22.7 HG LEU 100 - HD2 LYS 31 far 0 50 0 - 9.6-21.5 HB2 LEU 43 - HD3 LYS 26 far 0 66 0 - 9.7-30.1 HB2 LYS 39 - HD2 LYS 19 far 0 97 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 53 0 - 9.9-21.8 HB2 LEU 43 - HD2 LYS 26 far 0 62 0 - 9.9-30.2 HB2 LYS 39 - HD2 LYS 24 far 0 80 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 306 from cnoeabs.peaks (1.81, 1.65, 28.90 ppm; 4.05 A): 14 out of 61 assignments used, quality = 1.00: * HB3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.1-3.7 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.7 3.9=100 HB3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.0-4.1 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.1-3.8 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.5-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-4.0 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 26 OK 35 94 40 94 3.4-17.4 629/2.9=7, 273/2.9=5...(98) HB3 LYS 31 + HD2 LYS 26 OK 34 90 40 96 2.9-17.3 629/2.9=7, 273/2.9=5...(125) HB3 LYS 19 + HD2 LYS 24 OK 27 87 35 89 2.0-16.0 2631=4, 824/3.0=3...(113) HB3 LYS 19 + HD3 LYS 24 OK 26 90 35 84 3.5-15.3 2632=3, 824/3.0=3...(77) HB3 LYS 26 + HD2 LYS 31 OK 24 84 30 96 4.2-14.4 284/2.9=4, 835/2.9=4...(170) HB ILE 32 + HD3 LYS 31 OK 22 88 30 82 4.1-9.2 3.0/10763=7, 10752/5.2=7...(49) HB3 LYS 24 - HD3 LYS 19 poor 20 100 20 - 2.0-16.3 HB ILE 32 - HD3 LYS 26 poor 19 92 25 82 4.0-17.6 3.0/10763=7, 2.1/10812=7...(40) HB2 LYS 36 - HD3 LYS 26 poor 19 93 20 - 4.4-27.1 HB2 LYS 36 - HD2 LYS 26 poor 18 88 20 - 5.1-27.9 HB ILE 32 - HD2 LYS 26 poor 18 88 20 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 poor 17 87 20 - 4.5-14.4 HB3 ARG 23 - HD3 LYS 26 poor 17 88 30 63 2.9-14.6 3.7/11449=12...(13) HB3 ARG 23 - HD2 LYS 26 poor 16 83 35 56 2.9-14.2 ~11618=3, 442/5.7=3...(15) HB3 LYS 24 - HD2 LYS 19 far 15 100 15 - 3.7-15.7 HB3 LYS 31 - HD2 LYS 19 far 5 100 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 5 100 5 - 4.1-28.8 HB3 LYS 26 - HD3 LYS 24 far 4 87 5 - 3.7-12.3 HB3 LYS 24 - HD2 LYS 31 far 4 87 5 - 5.4-17.9 HB2 LYS 36 - HD2 LYS 31 far 4 86 5 - 5.0-15.5 HB ILE 32 - HD2 LYS 31 far 4 85 5 - 5.5-9.5 HB3 LYS 26 - HD2 LYS 24 far 4 84 5 - 5.1-12.6 HB3 ARG 23 - HD3 LYS 24 far 4 83 5 - 5.2-9.3 HB3 LEU 98 - HD3 LYS 24 far 3 53 5 - 4.2-35.7 HB3 LEU 98 - HD2 LYS 24 far 3 50 5 - 4.6-36.8 HB2 LYS 36 - HD2 LYS 24 far 0 86 0 - 5.7-27.6 HB2 LYS 36 - HD3 LYS 31 far 0 88 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 80 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 90 0 - 5.9-24.7 HB3 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 80 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 83 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 89 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 89 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.5-21.2 HB3 LYS 19 - HD3 LYS 26 far 0 94 0 - 6.5-21.5 HB3 ARG 23 - HD2 LYS 19 far 0 97 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 90 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 88 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 99 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 88 0 - 7.1-19.3 HB3 LYS 26 - HD2 LYS 19 far 0 99 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 72 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 87 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.7-11.2 HB ILE 32 - HD3 LYS 19 far 0 99 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 99 0 - 8.1-28.1 HB3 LEU 122 - HD2 LYS 24 far 0 70 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 65 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 85 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 75 0 - 8.8-25.3 HB2 CYS 79 - HD2 LYS 19 far 0 65 0 - 9.2-37.9 Violated in 0 structures by 0.00 A. Peak 307 from cnoeabs.peaks (1.36, 1.65, 28.90 ppm; 3.89 A): 8 out of 109 assignments used, quality = 1.00: * HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 79 79 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 78 78 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 75 75 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 74 74 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 55 55 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 53 53 100 100 2.2-3.0 2.9=100 HG2 LYS 24 - HD3 LYS 19 poor 18 92 20 - 2.1-17.8 QB ALA 28 - HD3 LYS 31 poor 18 70 25 - 2.9-9.7 HG2 LYS 19 - HD2 LYS 24 poor 17 87 25 80 3.0-17.8 277=3, 3.0/2631=2...(31) QB ALA 28 - HD2 LYS 31 poor 17 68 25 - 2.1-10.6 HG2 LYS 19 - HD3 LYS 24 poor 16 90 25 74 2.7-16.9 276/1.8=2, 3.0/2632=2...(29) QB ALA 15 - HD3 LYS 31 poor 14 72 20 - 3.8-22.6 HG2 LYS 24 - HD2 LYS 19 far 14 92 15 - 3.2-16.1 QB ALA 15 - HD2 LYS 19 far 13 87 15 - 3.7-12.8 HG3 LYS 26 - HD3 LYS 31 far 11 74 15 - 3.4-15.4 QB ALA 29 - HD2 LYS 31 far 11 73 15 - 2.5-9.8 QB ALA 28 - HD3 LYS 24 far 11 70 15 - 4.8-12.7 QB ALA 12 - HD3 LYS 24 far 9 88 10 - 4.3-18.1 QB ALA 15 - HD3 LYS 19 far 9 87 10 - 3.8-12.9 HG3 LYS 31 - HD2 LYS 26 far 8 55 15 - 4.8-17.0 QB ALA 29 - HD3 LYS 26 far 8 81 10 - 4.5-11.4 QB ALA 29 - HD2 LYS 26 far 8 76 10 - 4.7-11.1 QB ALA 21 - HD3 LYS 19 far 8 76 10 - 4.5-8.8 QB ALA 21 - HD2 LYS 19 far 8 76 10 - 4.8-9.4 QB ALA 29 - HD3 LYS 31 poor 7 76 30 32 3.0-9.8 ~10782=16, 3.7/7749=5...(6) QB ALA 15 - HD2 LYS 31 far 7 70 10 - 3.6-21.3 QB ALA 28 - HD2 LYS 24 far 7 68 10 - 4.4-13.3 QB ALA 21 - HD3 LYS 24 far 6 62 10 - 4.6-10.6 QB ALA 21 - HD2 LYS 24 far 6 59 10 - 3.9-10.7 HG3 LYS 31 - HD3 LYS 26 far 6 59 10 - 3.0-16.8 QB ALA 28 - HD3 LYS 19 far 4 85 5 - 4.6-21.9 HG2 LYS 24 - HD3 LYS 26 far 4 82 5 - 5.2-11.4 HG2 LYS 36 - HD3 LYS 26 far 4 81 5 - 5.1-24.7 QB ALA 110 - HD3 LYS 26 far 4 77 5 - 2.4-29.3 QB ALA 29 - HD3 LYS 24 far 4 76 5 - 5.3-12.6 HG3 LYS 26 - HD3 LYS 24 far 4 74 5 - 3.7-11.0 QB ALA 29 - HD2 LYS 24 far 4 73 5 - 5.3-13.3 QB ALA 108 - HD3 LYS 26 far 4 73 5 - 4.8-26.0 QB ALA 15 - HD3 LYS 24 far 4 72 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 4 72 5 - 3.6-30.2 HG3 LYS 26 - HD2 LYS 31 far 4 71 5 - 3.6-15.7 HG3 LYS 26 - HD2 LYS 24 far 4 71 5 - 5.3-11.0 QB ALA 15 - HD2 LYS 24 far 3 70 5 - 4.1-17.3 QB ALA 108 - HD3 LYS 24 far 3 68 5 - 4.5-33.1 HG3 LYS 31 - HD3 LYS 19 far 3 68 5 - 4.1-26.6 HG3 LYS 31 - HD2 LYS 19 far 3 68 5 - 4.6-25.3 HG3 LYS 95 - HD3 LYS 24 far 3 66 5 - 3.7-36.4 QB ALA 108 - HD2 LYS 24 far 3 66 5 - 5.1-33.9 HG3 LYS 95 - HD2 LYS 24 far 3 64 5 - 3.4-37.4 QB ALA 109 - HD3 LYS 26 far 3 64 5 - 5.1-28.1 HG2 LYS 95 - HD3 LYS 24 far 3 62 5 - 4.1-36.2 QB ALA 109 - HD2 LYS 26 far 3 60 5 - 4.4-27.7 HG2 LYS 95 - HD2 LYS 24 far 3 59 5 - 4.4-37.2 QB ALA 12 - HD3 LYS 19 lone 1 100 30 2 2.1-15.8 QB ALA 12 - HD2 LYS 19 lone 0 100 30 1 2.2-15.1 QB ALA 28 - HD2 LYS 26 far 0 70 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 86 0 - 5.6-18.4 QB ALA 21 - HD2 LYS 31 far 0 59 0 - 5.6-19.4 HG2 LYS 24 - HD2 LYS 26 far 0 78 0 - 5.8-11.1 QB ALA 21 - HD3 LYS 31 far 0 62 0 - 5.8-20.4 HG2 LYS 36 - HD2 LYS 26 far 0 76 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 55 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 85 0 - 5.9-21.1 HG3 LYS 31 - HD2 LYS 24 far 0 53 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 68 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 75 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 73 0 - 6.2-13.5 QB ALA 21 - HD3 LYS 26 far 0 66 0 - 6.3-14.8 QB ALA 12 - HD3 LYS 31 far 0 88 0 - 6.4-22.7 QB ALA 109 - HD3 LYS 19 far 0 73 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 86 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 76 0 - 6.7-13.2 HG2 LYS 36 - HD2 LYS 24 far 0 73 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 87 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 78 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 75 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 90 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 73 0 - 7.1-42.5 QB ALA 15 - HD2 LYS 26 far 0 72 0 - 7.2-19.7 HG2 LYS 19 - HD3 LYS 31 far 0 90 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 77 0 - 7.4-19.3 QB ALA 21 - HD2 LYS 26 far 0 62 0 - 7.4-14.7 QB ALA 29 - HD2 LYS 19 far 0 90 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 66 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 19 far 0 87 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 94 0 - 7.8-23.7 QB ALA 46 - HD3 LYS 26 far 0 66 0 - 8.0-20.2 QB ALA 109 - HD3 LYS 24 far 0 60 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 76 0 - 8.1-26.2 QB ALA 108 - HD3 LYS 31 far 0 68 0 - 8.2-26.1 QB ALA 109 - HD2 LYS 24 far 0 57 0 - 8.3-35.6 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.4-23.4 QB ALA 46 - HD2 LYS 19 far 0 76 0 - 8.6-31.0 QB ALA 46 - HD2 LYS 26 far 0 62 0 - 8.7-20.1 QB ALA 46 - HD2 LYS 31 far 0 59 0 - 8.9-17.7 QB ALA 108 - HD3 LYS 19 far 0 83 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 83 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.2-24.1 QB ALA 46 - HD3 LYS 24 far 0 62 0 - 9.2-22.1 QB ALA 46 - HD3 LYS 31 far 0 62 0 - 9.3-16.6 HG3 LYS 26 - HD2 LYS 19 far 0 89 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 70 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 90 0 - 9.4-35.1 HB2 LEU 42 - HD3 LYS 26 far 0 84 0 - 9.8-27.9 QB ALA 46 - HD3 LYS 19 far 0 76 0 - 9.9-32.3 HB2 LEU 96 - HD3 LYS 24 far 0 76 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 308 from cnoeabs.peaks (1.44, 1.65, 28.90 ppm; 3.21 A): 8 out of 56 assignments used, quality = 1.00: * HG3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.3-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 88 88 100 100 2.2-2.9 2.9=100 HG3 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 83 83 100 100 2.2-3.0 2.9=100 HG13 ILE 32 - HD3 LYS 31 poor 15 88 30 56 2.0-10.3 10757/5.2=7, 6333/6.2=5...(29) HG13 ILE 32 - HD2 LYS 31 poor 15 86 30 57 3.3-9.3 10757/5.2=7, 6333/6.2=5...(29) HG13 ILE 32 - HD2 LYS 26 poor 15 88 30 55 2.5-16.4 ~10767=6, ~10704=5...(27) HG13 ILE 32 - HD3 LYS 26 poor 12 93 25 52 2.0-15.6 ~10704=5, 920/10763=4...(28) HG2 LYS 31 - HD3 LYS 26 far 9 94 10 - 4.2-17.6 HG3 LYS 19 - HD3 LYS 24 far 9 90 10 - 4.4-17.3 HG3 LYS 19 - HD2 LYS 24 far 9 87 10 - 4.4-17.3 HG3 LYS 24 - HD3 LYS 19 lone 4 100 25 18 2.0-17.8 823/3.9=2, 526/3.9=1, 822/5.2=1 HG2 LYS 31 - HD2 LYS 26 far 4 89 5 - 3.5-18.0 HG2 LYS 26 - HD3 LYS 24 far 4 83 5 - 3.7-12.2 HG2 LYS 26 - HD3 LYS 31 far 4 83 5 - 4.2-16.2 HG3 LYS 36 - HD3 LYS 26 far 3 66 5 - 3.6-25.1 HG3 LYS 24 - HD2 LYS 19 lone 3 100 25 11 2.7-16.7 823/3.9=2, 526/3.9=1, 822/5.2=1 QB ALA 34 - HD2 LYS 26 far 0 57 0 - 4.9-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 80 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 24 far 0 80 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 62 0 - 5.1-26.0 HG2 LYS 31 - HD2 LYS 24 far 0 87 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 59 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 62 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 100 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 100 0 - 5.7-26.4 HG3 LYS 36 - HD2 LYS 31 far 0 59 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 94 0 - 5.9-11.9 HG3 LYS 24 - HD2 LYS 26 far 0 89 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 89 0 - 6.0-17.5 HG13 ILE 32 - HD3 LYS 19 far 0 100 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 62 0 - 6.2-20.6 HG3 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 62 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 87 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 100 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.8-25.5 QB ALA 34 - HD2 LYS 24 far 0 55 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 57 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 88 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 86 0 - 7.4-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 94 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 57 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 55 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 97 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 97 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 79 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 76 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 76 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 76 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 309 from cnoeabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 90 90 - 100 HD3 LYS 31 + HD3 LYS 31 OK 83 83 - 100 HD2 LYS 26 + HD2 LYS 26 OK 83 83 - 100 HD3 LYS 24 + HD3 LYS 24 OK 83 83 - 100 HD2 LYS 24 + HD2 LYS 24 OK 79 79 - 100 HD2 LYS 31 + HD2 LYS 31 OK 79 79 - 100 Reference assignment not found: HD2 LYS 19 - HD3 LYS 19 Peak 310 from cnoeabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 90 90 - 100 HD3 LYS 31 + HD3 LYS 31 OK 83 83 - 100 HD2 LYS 26 + HD2 LYS 26 OK 83 83 - 100 HD3 LYS 24 + HD3 LYS 24 OK 83 83 - 100 HD2 LYS 24 + HD2 LYS 24 OK 79 79 - 100 HD2 LYS 31 + HD2 LYS 31 OK 79 79 - 100 Peak 311 from cnoeabs.peaks (2.96, 1.65, 28.90 ppm; 3.62 A): 16 out of 87 assignments used, quality = 1.00: * HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.4-3.0 2.9=100 HE3 LYS 26 + HD3 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 90 90 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 85 85 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 83 83 100 100 2.2-3.0 3.0=100 HE2 LYS 24 - HD2 LYS 19 poor 20 100 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 20 100 20 - 2.7-18.2 HE2 LYS 36 - HD3 LYS 26 poor 19 94 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 19 94 20 - 3.8-24.9 HE3 LYS 24 - HD3 LYS 19 far 15 100 15 - 2.2-19.0 HE3 LYS 36 - HD2 LYS 26 far 13 89 15 - 3.3-25.8 HE3 LYS 19 - HD2 LYS 24 far 13 85 15 - 3.9-18.3 HE3 LYS 24 - HD2 LYS 19 far 10 100 10 - 2.9-18.4 HE2 LYS 36 - HD2 LYS 26 far 9 89 10 - 1.9-25.5 HE2 LYS 19 - HD3 LYS 24 far 9 90 10 - 4.2-18.5 HE3 LYS 19 - HD3 LYS 24 far 9 88 10 - 3.7-17.8 HE2 LYS 31 - HD3 LYS 26 far 5 92 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 4 90 5 - 4.6-14.9 HE2 LYS 36 - HD3 LYS 31 far 4 89 5 - 4.3-12.0 HE2 LYS 24 - HD3 LYS 31 far 4 89 5 - 4.7-18.8 HE3 LYS 24 - HD3 LYS 31 far 4 89 5 - 5.0-18.2 HE2 LYS 31 - HD2 LYS 26 far 4 88 5 - 3.3-15.6 HE2 LYS 36 - HD2 LYS 31 far 4 87 5 - 4.6-13.1 HE3 LYS 26 - HD3 LYS 31 far 4 85 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 4 85 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 4 85 5 - 4.9-15.3 HE3 LYS 26 - HD2 LYS 31 far 0 83 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 87 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 87 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 76 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 89 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 85 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 86 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 83 0 - 6.0-18.3 HE2 LYS 31 - HD2 LYS 19 far 0 99 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 57 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 86 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 85 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 99 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 73 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 81 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 76 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 83 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 89 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 86 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 83 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 83 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 89 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 73 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 98 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 85 0 - 7.5-19.1 HB2 CYS 45 - HD3 LYS 24 far 0 76 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 98 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 89 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 76 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 88 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 100 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 100 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 90 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 55 0 - 8.1-36.9 HE3 LYS 19 - HD2 LYS 31 far 0 85 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 53 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 85 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 73 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 88 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 87 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 98 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 100 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 100 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 92 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 98 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 312 from cnoeabs.peaks (2.96, 1.65, 28.90 ppm; 3.62 A): 16 out of 84 assignments used, quality = 1.00: * HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 83 83 100 100 2.2-3.0 3.0=100 HE2 LYS 24 - HD2 LYS 19 poor 20 98 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 20 98 20 - 2.7-18.2 HE3 LYS 36 - HD3 LYS 26 poor 19 94 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 18 92 20 - 2.9-24.6 HE3 LYS 24 - HD3 LYS 19 far 15 100 15 - 2.2-19.0 HE3 LYS 36 - HD2 LYS 26 far 13 89 15 - 3.3-25.8 HE3 LYS 19 - HD2 LYS 24 far 13 87 15 - 3.9-18.3 HE3 LYS 24 - HD2 LYS 19 far 10 100 10 - 2.9-18.4 HE3 LYS 19 - HD3 LYS 24 far 9 90 10 - 3.7-17.8 HE2 LYS 19 - HD3 LYS 24 far 9 88 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 9 87 10 - 1.9-25.5 HE2 LYS 31 - HD3 LYS 26 far 5 94 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 5 94 5 - 4.6-14.9 HE2 LYS 31 - HD2 LYS 26 far 4 90 5 - 3.3-15.6 HE3 LYS 26 - HD3 LYS 31 far 4 89 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 4 89 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 4 89 5 - 4.9-15.3 HE3 LYS 24 - HD3 LYS 31 far 4 89 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 31 far 4 87 5 - 4.3-12.0 HE2 LYS 24 - HD3 LYS 31 far 4 85 5 - 4.7-18.8 HE2 LYS 36 - HD2 LYS 31 far 4 84 5 - 4.6-13.1 HE3 LYS 26 - HD2 LYS 31 far 0 86 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 84 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 85 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 89 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 84 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 86 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 87 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 89 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 83 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 86 0 - 6.0-18.3 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 86 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 89 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 82 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 69 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 64 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 86 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 85 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 86 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 26 far 0 90 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 86 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 89 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 62 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 89 0 - 7.5-19.1 HB2 CYS 45 - HD3 LYS 24 far 0 64 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 89 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 64 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 90 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 100 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 100 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 88 0 - 7.9-25.4 HE3 LYS 19 - HD2 LYS 31 far 0 87 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 87 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 62 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 90 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 85 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 99 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 99 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 94 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 315 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 34 out of 165 assignments used, quality = 1.00: * HA LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.7 6.4=100 HA PHE 87 + HE3 LYS 86 OK 100 100 100 100 3.9-7.4 4.9/2704=92...(13) HA LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.9-6.2 6.0=100 HA LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.0-5.4 6.4=100 HA LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.9-6.5 6.0=100 HA LYS 31 + HE2 LYS 31 OK 94 94 100 100 1.9-5.7 6.5=100 HA LYS 26 + HE2 LYS 26 OK 94 94 100 100 2.7-6.4 6.6=100 HA LYS 26 + HE3 LYS 26 OK 94 94 100 100 3.4-6.0 6.6=100 HA LYS 31 + HE3 LYS 31 OK 89 89 100 100 2.5-5.6 6.5=100 HA THR 25 + HE2 LYS 24 OK 65 72 95 95 2.0-8.6 11128/5.1=30, ~544=27...(16) HA ARG 84 + HE3 LYS 86 OK 62 85 95 77 7.1-8.5 4.9/9767=59, 2523/4.9=31 HA ARG 23 + HE2 LYS 24 OK 55 84 85 77 6.3-9.4 424/7.4=50, 833/4.0=10...(19) HA THR 18 + HE2 LYS 19 OK 54 71 90 85 2.7-8.8 10686/3.8=42, 226/7.3=40...(8) HA LYS 31 + HE3 LYS 26 OK 53 89 60 99 5.3-18.9 3.0/6337=10, ~6338=9...(175) HA THR 25 + HE3 LYS 24 OK 51 72 75 95 2.3-9.0 11128/5.1=30, ~544=27...(15) HA THR 25 + HE2 LYS 26 OK 50 64 85 92 2.9-9.2 582/7.1=46, 11128/4.8=25...(13) HA LYS 31 + HE2 LYS 26 OK 49 89 55 99 5.0-18.9 3.0/6337=10, ~6338=9...(174) HA LYS 19 + HE3 LYS 24 OK 48 100 50 96 2.9-16.7 822/4.0=7, 241/4.0=5...(170) HA THR 18 + HE3 LYS 19 OK 48 67 85 85 4.3-9.2 10686/3.8=42, 226/7.3=40...(8) HA LYS 26 + HE3 LYS 31 OK 45 94 50 97 4.4-13.1 790/4.8=9, 822/3.7=8...(155) HA THR 25 + HE3 LYS 26 OK 44 64 75 92 2.2-9.3 582/7.1=46, 11128/4.8=25...(13) HA ARG 23 + HE3 LYS 24 OK 44 84 70 75 5.5-9.3 424/7.4=50, 833/4.0=10...(16) HA LYS 19 + HE2 LYS 24 OK 44 100 45 98 1.9-16.1 822/4.0=7, 241/4.0=5...(172) HA GLN 27 + HE3 LYS 26 OK 43 66 85 76 3.7-8.8 ~6267=31, ~6266=31...(12) HA LYS 26 + HE2 LYS 31 OK 43 98 45 97 5.0-12.6 790/4.8=9, 822/3.7=8...(154) HA LYS 36 + HE2 LYS 26 OK 36 91 45 88 3.2-29.7 3.0/1004=15, ~1004=11...(62) HA LYS 36 + HE3 LYS 26 OK 35 91 45 87 3.5-29.4 3.0/1004=13, ~1004=12...(61) HA GLN 27 + HE2 LYS 26 OK 35 66 70 76 3.2-8.6 ~6267=31, ~6266=31...(12) HA ARG 23 + HE3 LYS 26 OK 34 75 60 76 2.0-13.5 3.8/11618=9, 424/7.1=3...(78) HA ARG 23 + HE2 LYS 26 OK 34 75 60 75 2.7-12.5 3.8/11618=13, 424/7.1=3...(78) HA LEU 22 + HE3 LYS 24 OK 32 100 75 43 1.9-11.8 11967/4.0=20...(9) HA LEU 22 + HE2 LYS 24 OK 27 100 65 42 3.0-11.0 11967/4.0=20...(8) HA LYS 31 + HE2 LYS 36 OK 26 97 55 49 5.5-13.1 10753/9008=5...(12) HA LYS 31 + HE3 LYS 36 OK 20 97 50 42 4.8-12.9 10753/9008=5, 3.0/6337=4...(7) HA ARG 23 - HE3 LYS 31 poor 19 75 25 - 7.1-18.5 HA GLN 27 - HE2 LYS 31 poor 18 72 25 - 6.7-11.5 HA THR 18 - HE2 LYS 24 poor 17 70 25 - 4.8-17.4 HA ARG 23 - HE2 LYS 36 poor 17 85 20 - 5.7-25.3 HA ALA 28 - HE2 LYS 31 poor 17 56 30 - 6.8-12.9 HA GLN 27 - HE3 LYS 31 poor 17 66 25 - 5.0-12.1 HA THR 25 - HE3 LYS 31 poor 16 64 25 - 2.8-14.8 HA GLN 27 - HE2 LYS 36 poor 15 76 20 - 4.2-18.7 HA LYS 26 - HE3 LYS 24 far 15 100 15 - 6.6-11.5 HA LYS 36 - HE3 LYS 24 far 15 98 15 - 7.3-29.3 HA ALA 16 - HE2 LYS 31 far 14 95 15 - 6.3-27.2 HA LEU 22 - HE3 LYS 26 far 14 94 15 - 5.2-15.2 HA GLN 61 - HE3 LYS 19 far 13 89 15 - 7.8-33.4 HA ALA 21 - HE3 LYS 26 poor 13 66 20 - 7.7-16.3 HA ALA 28 - HE3 LYS 31 poor 13 52 25 - 6.3-12.6 HA ALA 15 - HE2 LYS 24 far 13 86 15 - 3.2-24.3 HA GLN 61 - HE3 LYS 31 far 13 84 15 - 6.4-25.1 HA ARG 23 - HE3 LYS 36 far 13 84 15 - 6.1-25.9 HA ALA 15 - HE2 LYS 31 far 12 83 15 - 5.4-27.5 HA ARG 23 - HE2 LYS 31 far 12 81 15 - 6.0-17.4 HA ALA 28 - HE3 LYS 24 poor 12 59 20 - 6.7-14.6 HA ALA 21 - HE2 LYS 36 far 11 76 15 - 7.2-27.3 HA GLN 27 - HE3 LYS 24 far 11 75 15 - 6.5-14.9 HA THR 25 - HE3 LYS 36 far 11 72 15 - 5.5-23.8 HA THR 25 - HE3 LYS 19 far 10 69 15 - 7.5-20.7 HA ALA 28 - HE3 LYS 26 poor 10 52 20 - 5.4-11.4 HA LYS 26 - HE2 LYS 36 far 10 100 10 - 5.2-22.3 HA THR 18 - HE2 LYS 31 far 10 67 15 - 5.9-25.3 HA LYS 26 - HE2 LYS 24 far 10 100 10 - 5.6-11.4 HA ALA 21 - HE2 LYS 26 far 10 66 15 - 6.8-17.6 HA LYS 19 - HE2 LYS 31 far 10 98 10 - 7.4-25.6 HA LYS 36 - HE2 LYS 24 far 10 98 10 - 6.4-29.6 HA ALA 16 - HE2 LYS 24 far 10 97 10 - 5.1-21.6 HA ALA 16 - HE3 LYS 24 far 10 97 10 - 5.5-21.7 HA LYS 31 - HE2 LYS 24 far 10 97 10 - 6.0-19.7 HA GLN 61 - HE2 LYS 24 far 9 92 10 - 5.8-25.5 HA LYS 36 - HE3 LYS 31 far 9 91 10 - 7.1-15.1 HA ALA 16 - HE3 LYS 31 far 9 90 10 - 5.0-28.0 HA GLN 61 - HE2 LYS 31 far 9 89 10 - 6.6-24.3 HA ALA 109 - HE3 LYS 26 far 9 89 10 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 9 89 10 - 4.9-30.3 HA GLN 61 - HE2 LYS 26 far 8 84 10 - 2.5-26.5 HA GLN 61 - HE3 LYS 26 far 8 84 10 - 3.6-26.6 HA ALA 28 - HE2 LYS 26 far 8 52 15 - 5.8-11.2 HA ALA 15 - HE3 LYS 31 far 8 77 10 - 5.9-26.5 HA GLN 27 - HE2 LYS 24 far 7 75 10 - 7.2-14.8 HA THR 25 - HE2 LYS 36 far 7 73 10 - 4.9-23.1 HA ALA 21 - HE3 LYS 19 far 7 72 10 - 7.9-11.6 HA THR 18 - HE3 LYS 31 far 6 62 10 - 5.3-25.8 HA LYS 26 - HE3 LYS 36 poor 6 100 30 20 6.7-22.7 10753/9008=4 HA ALA 28 - HE2 LYS 36 far 6 60 10 - 7.5-16.9 HA ALA 28 - HE2 LYS 24 far 6 59 10 - 7.6-14.9 HA LYS 19 - HE3 LYS 36 far 5 100 5 - 8.2-32.4 HA ALA 16 - HE2 LYS 36 far 5 98 5 - 7.5-31.5 HA LEU 22 - HE3 LYS 19 far 5 98 5 - 8.0-13.0 HA LYS 31 - HE2 LYS 19 far 5 97 5 - 5.1-27.7 HA LYS 26 - HE3 LYS 19 far 5 98 5 - 8.1-22.8 HA ALA 16 - HE3 LYS 36 far 5 97 5 - 6.3-32.1 HA ALA 109 - HE2 LYS 19 far 5 97 5 - 7.5-53.5 HA ALA 108 - HE2 LYS 19 far 5 97 5 - 7.8-51.7 HA LYS 31 - HE3 LYS 24 far 5 97 5 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 5 96 5 - 7.3-13.7 HA LYS 31 - HE3 LYS 19 far 5 94 5 - 5.6-27.5 HA ALA 109 - HE3 LYS 19 far 5 94 5 - 6.5-51.9 HA LYS 19 - HE3 LYS 31 far 5 94 5 - 6.8-26.4 HA ALA 108 - HE3 LYS 19 far 5 94 5 - 7.1-50.0 HA ALA 108 - HE2 LYS 31 far 5 94 5 - 7.5-34.3 HA LYS 19 - HE2 LYS 26 far 5 94 5 - 7.6-22.7 HA GLN 61 - HE2 LYS 36 far 5 93 5 - 8.2-18.1 HA GLN 61 - HE3 LYS 24 far 5 92 5 - 6.3-26.7 HA ALA 109 - HE2 LYS 26 far 4 89 5 - 5.8-33.8 HA ALA 108 - HE2 LYS 26 far 4 89 5 - 6.6-31.8 HA ALA 108 - HE3 LYS 31 far 4 89 5 - 6.8-33.7 HA ALA 15 - HE3 LYS 24 far 4 86 5 - 2.7-24.2 HA ALA 12 - HE3 LYS 24 far 4 86 5 - 7.9-25.7 HA ALA 12 - HE2 LYS 24 far 4 86 5 - 8.3-25.1 HA ARG 23 - HE2 LYS 19 far 4 85 5 - 7.9-15.5 HA ALA 110 - HE3 LYS 19 far 4 84 5 - 8.1-53.0 HA ARG 23 - HE3 LYS 19 far 4 81 5 - 8.3-16.9 HA ALA 110 - HE3 LYS 26 far 4 79 5 - 5.9-33.9 HA ALA 110 - HE2 LYS 26 far 4 79 5 - 7.4-35.4 HA ALA 21 - HE3 LYS 36 far 4 75 5 - 6.5-28.1 HA THR 25 - HE2 LYS 19 far 4 73 5 - 7.4-19.3 HA ALA 21 - HE2 LYS 31 far 4 72 5 - 7.5-21.4 HA THR 18 - HE2 LYS 36 far 4 71 5 - 6.5-32.9 HA THR 18 - HE3 LYS 36 far 3 70 5 - 5.0-33.6 HA ALA 21 - HE3 LYS 31 far 3 66 5 - 7.2-21.7 HA ALA 28 - HE3 LYS 36 far 3 59 5 - 6.5-17.6 HA ALA 12 - HE2 LYS 19 lone 2 87 55 4 3.7-20.1 HA ALA 21 - HE2 LYS 24 lone 2 75 55 5 2.6-12.5 HA LEU 22 - HE2 LYS 26 lone 2 94 30 7 4.0-14.7 375/865=2, 372/11618=2 HA ALA 21 - HE3 LYS 24 lone 2 75 45 5 2.0-13.7 HA ALA 12 - HE3 LYS 19 lone 2 83 45 4 4.5-19.2 HA ALA 16 - HE3 LYS 19 lone 1 95 35 5 4.9-11.6 7131/7.3=2 HA ALA 16 - HE2 LYS 19 lone 1 98 30 4 5.1-12.4 7131/7.3=2 HA ALA 15 - HE3 LYS 19 lone 1 83 45 3 2.0-14.9 HA THR 18 - HE3 LYS 24 lone 1 70 30 5 4.1-17.6 HA THR 25 - HE2 LYS 31 lone 1 69 30 5 3.1-14.8 HA ALA 15 - HE2 LYS 19 lone 1 87 35 3 2.2-14.3 HA GLN 27 - HE3 LYS 36 lone 1 75 30 3 3.3-19.2 HA LEU 22 - HE2 LYS 36 far 0 100 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 100 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 94 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 69 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 73 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 86 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 76 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 97 0 - 8.9-40.0 HA ALA 28 - HE3 LYS 19 far 0 56 0 - 8.9-24.7 HA LYS 19 - HE3 LYS 26 far 0 94 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 83 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 92 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 92 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 89 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 97 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 96 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 99 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 93 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 73 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 62 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 77 0 - 9.6-27.2 HA ALA 28 - HE2 LYS 19 far 0 60 0 - 9.7-25.6 HA LYS 19 - HE2 LYS 36 far 0 100 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 97 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 62 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 87 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 97 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 88 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 100 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 64 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 316 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 5.17 A): 18 out of 61 assignments used, quality = 1.00: * HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 3.1-5.1 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.8-5.0 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.0-4.9 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 94 94 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.6-5.5 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 92 92 100 100 1.8-4.7 4.8=100 HB ILE 80 + HE3 LYS 86 OK 85 94 90 100 2.3-7.3 ~11243=67, 9729/2704=60...(24) HG3 ARG 90 + HE3 LYS 86 OK 56 87 70 92 4.2-9.7 11303/9660=55...(9) HB2 LYS 31 + HE2 LYS 26 OK 43 92 50 94 3.2-17.5 639/3.6=8, 628/3.6=7...(146) HB2 LYS 31 + HE3 LYS 26 OK 43 92 50 94 3.4-17.3 639/3.6=8, 628/3.6=7...(132) HB2 ARG 23 + HE2 LYS 26 OK 30 93 55 59 3.9-14.3 430/11618=10, ~11618=5...(27) HB2 LYS 26 + HE2 LYS 31 OK 25 98 30 83 4.4-12.8 823/3.7=6, 834/3.7=6...(92) HB2 LYS 26 + HE3 LYS 31 OK 24 94 30 84 4.2-12.2 823/3.7=6, 834/3.7=6...(92) HB2 LYS 19 + HE2 LYS 24 OK 23 100 25 91 4.1-17.5 823/4.0=5, 1.8/2634=4...(126) HB2 LYS 19 + HE3 LYS 24 OK 22 100 25 90 5.3-18.0 823/4.0=5, 1.8/2634=4...(111) HB2 ARG 23 + HE3 LYS 26 OK 22 93 40 58 3.3-14.8 ~11618=8, 430/11618=7...(28) HB2 LYS 26 - HE2 LYS 36 poor 20 100 20 - 3.3-22.3 HB2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 4.9-22.7 HB2 LYS 24 - HE3 LYS 19 poor 15 98 30 51 4.9-17.5 2.9/532=2, 305/2.9=2...(17) HB2 ARG 23 - HE3 LYS 24 far 15 99 15 - 5.8-11.2 HB2 LYS 31 - HE2 LYS 36 far 15 99 15 - 3.5-12.9 HB2 LYS 24 - HE2 LYS 19 poor 15 100 25 59 3.8-18.2 305/2.9=2, 613=2...(17) HB2 LYS 31 - HE3 LYS 36 far 15 98 15 - 4.9-12.6 HB2 LYS 24 - HE3 LYS 26 far 14 94 15 - 5.3-12.3 HB2 ARG 23 - HE2 LYS 36 far 10 100 10 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 36 far 10 99 10 - 4.0-24.1 HB2 ARG 23 - HE2 LYS 24 far 10 99 10 - 6.2-11.2 HB2 LYS 31 - HE2 LYS 24 far 10 98 10 - 4.9-20.2 HB2 LYS 19 - HE2 LYS 31 far 10 98 10 - 5.2-25.0 HB2 LYS 19 - HE3 LYS 31 far 9 94 10 - 5.9-25.9 HB2 LYS 24 - HE2 LYS 36 far 5 100 5 - 1.9-26.5 HB2 LYS 26 - HE2 LYS 24 far 5 100 5 - 4.0-13.1 HB2 LYS 26 - HE3 LYS 24 far 5 100 5 - 4.4-13.6 HB2 LYS 24 - HE3 LYS 36 far 5 100 5 - 3.6-27.4 HB2 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.8-20.7 HB2 LYS 24 - HE3 LYS 31 far 5 94 5 - 6.7-18.7 HB2 ARG 23 - HE3 LYS 31 far 5 93 5 - 5.7-20.0 HB2 LYS 24 - HE2 LYS 26 lone 4 94 30 14 5.6-12.3 11151/9587=5, 834/3.6=1 HB2 LEU 43 - HE3 LYS 36 far 0 75 0 - 6.8-18.1 HB2 LYS 19 - HE2 LYS 26 far 0 94 0 - 6.8-24.3 HB2 LYS 24 - HE2 LYS 31 far 0 98 0 - 6.9-18.8 HB2 ARG 23 - HE2 LYS 31 far 0 97 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 96 0 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 97 0 - 7.5-16.1 HB2 LEU 43 - HE2 LYS 31 far 0 72 0 - 7.6-24.1 HB2 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.2-24.9 HB2 LEU 43 - HE2 LYS 36 far 0 76 0 - 8.5-17.0 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 96 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 100 0 - 8.9-16.3 HB2 LEU 43 - HE3 LYS 31 far 0 66 0 - 9.3-24.7 HG13 ILE 129 - HE3 LYS 86 far 0 99 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 96 0 - 9.7-15.5 HB2 LEU 43 - HE3 LYS 24 far 0 75 0 - 9.7-31.8 HG LEU 100 - HE3 LYS 31 far 0 57 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 96 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 317 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 6.24 A): 29 out of 75 assignments used, quality = 1.00: * HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.1 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HB ILE 32 + HE2 LYS 36 OK 99 99 100 100 3.4-7.6 ~10837=31, 10833/3.0=30...(57) HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-4.5 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-4.8 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.0-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.0-5.4 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 3.3-5.0 4.8=100 HB ILE 32 + HE3 LYS 36 OK 89 99 90 100 2.0-7.9 ~10837=31, 10833/3.0=30...(56) HB2 LYS 86 + HE3 LYS 86 OK 89 89 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 31 OK 60 97 65 95 4.3-9.5 10825=14, 902/7.1=13...(61) HB ILE 32 + HE2 LYS 26 OK 53 92 60 96 4.8-19.8 ~10767=15, ~10840=14...(62) HB ILE 32 + HE3 LYS 26 OK 53 92 60 96 4.6-19.4 ~10767=15, ~10840=14...(62) HB3 LYS 31 + HE2 LYS 26 OK 51 94 55 98 2.2-19.2 629/3.6=9, 6332/6337=8...(147) HB3 LYS 31 + HE3 LYS 26 OK 51 94 55 98 3.3-19.0 629/3.6=9, 6332/6337=8...(142) HB ILE 32 + HE3 LYS 31 OK 49 92 55 96 4.6-10.3 902/7.1=13, 10825/1.8=13...(61) HB2 LYS 36 + HE2 LYS 26 OK 45 93 55 89 2.4-29.4 1.8/1004=15, ~1004=12...(50) HB3 LYS 26 + HE2 LYS 31 OK 45 96 50 93 3.9-12.8 1019/3.7=7, 835/3.7=6...(119) HB3 LYS 19 + HE3 LYS 24 OK 42 100 45 95 3.9-16.9 2634/1.8=5, 3.0/11770=4...(140) HB3 LYS 26 + HE3 LYS 31 OK 38 92 45 93 4.4-13.0 1019/3.7=7, 835/3.7=6...(118) HB3 ARG 23 + HE2 LYS 26 OK 37 88 60 71 3.0-13.9 3.0/11618=13, ~11618=7...(63) HB2 LYS 36 + HE3 LYS 26 OK 35 93 45 85 2.6-28.9 1.8/1004=14, ~1004=12...(30) HB3 LYS 19 + HE2 LYS 24 OK 33 100 35 95 2.6-16.3 2634=5, 3.0/11770=4...(137) HB3 ARG 23 + HE3 LYS 26 OK 31 88 50 70 2.6-15.2 ~11618=11, 3.0/11618=9...(62) HB3 LYS 24 + HE2 LYS 19 OK 27 100 35 76 3.5-17.2 1.8/613=2, 2.9/1025=2...(85) HB3 LYS 24 + HE3 LYS 19 OK 24 98 35 71 4.6-17.1 2.9/532=2, 509=2...(69) HB3 LYS 26 - HE2 LYS 36 poor 20 99 20 - 4.2-22.7 HB2 LYS 36 - HE3 LYS 31 poor 19 93 20 - 5.6-14.2 HB3 LYS 31 - HE2 LYS 24 far 15 100 15 - 6.0-19.3 HB3 ARG 23 - HE2 LYS 36 far 14 96 15 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 36 far 14 96 15 - 4.4-24.0 HB3 ARG 23 - HE2 LYS 24 far 14 96 15 - 7.2-10.3 HB3 ARG 23 - HE2 LYS 31 far 14 93 15 - 6.3-18.9 HB3 ARG 23 - HE3 LYS 24 poor 14 96 25 58 7.0-10.6 6221/7.4=26, 1008/4.0=5...(29) HB3 LYS 31 - HE3 LYS 36 poor 14 100 45 30 4.9-14.1 6332/6337=3...(4) HB3 LYS 24 - HE2 LYS 36 far 10 100 10 - 3.5-25.9 HB3 LYS 26 - HE2 LYS 24 far 10 98 10 - 5.2-13.2 HB3 LYS 26 - HE3 LYS 24 far 10 98 10 - 6.0-13.6 HB3 LYS 19 - HE2 LYS 31 far 10 98 10 - 6.5-26.1 HB3 LYS 19 - HE3 LYS 31 far 9 94 10 - 7.4-27.0 HB3 ARG 23 - HE3 LYS 31 far 9 88 10 - 5.4-20.0 HB3 LYS 31 - HE2 LYS 36 poor 8 100 25 33 5.3-14.3 10751/10813=3...(5) HB2 CYS 79 - HE3 LYS 86 far 7 65 10 - 6.5-10.0 HB3 LYS 26 - HE3 LYS 36 poor 6 98 25 23 5.3-23.0 10720/10721=4, 10751/10813=2 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 31 - HE3 LYS 24 far 5 100 5 - 6.7-20.0 HB2 LYS 36 - HE2 LYS 24 far 5 99 5 - 6.1-29.9 HB2 LYS 36 - HE3 LYS 24 far 5 99 5 - 7.5-29.6 HB ILE 32 - HE2 LYS 24 far 5 99 5 - 7.3-20.7 HB3 LYS 31 - HE3 LYS 19 far 5 98 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 26 far 5 94 5 - 6.1-23.7 HB3 LYS 19 - HE3 LYS 26 far 5 94 5 - 7.6-23.7 HB3 LYS 24 - HE3 LYS 31 far 5 94 5 - 7.6-18.3 HB3 LYS 24 - HE2 LYS 26 lone 5 94 35 14 5.5-13.1 985/9587=1 HB2 LYS 36 - HE2 LYS 31 lone 4 97 35 11 6.2-12.8 10898/10721=4, 929/9008=3 HB3 LYS 24 - HE3 LYS 26 lone 4 94 25 16 4.8-12.9 985/9587=2 HB3 LEU 98 - HE3 LYS 24 far 3 64 5 - 6.5-36.2 HB3 LEU 98 - HE2 LYS 24 far 3 64 5 - 6.6-34.7 HB3 LYS 24 - HE2 LYS 31 far 0 98 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 96 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 100 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 90 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 93 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 99 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 75 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 86 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 99 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 75 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 318 from cnoeabs.peaks (1.36, 2.96, 41.80 ppm; 5.06 A): 12 out of 134 assignments used, quality = 1.00: * HG2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.2 3.8=100 HG2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.0-2.8 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 91 91 100 100 2.0-3.9 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 91 91 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 90 90 100 100 2.6-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 89 89 100 100 2.0-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 79 79 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 79 79 100 100 2.1-4.1 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 64 64 100 100 2.4-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 59 59 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE2 LYS 24 OK 26 100 30 88 2.9-18.6 3.0/2634=4, 4.2/11770=3...(132) HG2 LYS 19 + HE3 LYS 24 OK 21 100 25 86 3.9-19.3 3.0/2634=3, 4.2/11770=3...(90) HG2 LYS 36 - HE3 LYS 26 poor 19 81 30 78 5.1-26.6 3.0/1003=9, ~1004=7...(34) HG2 LYS 24 - HE2 LYS 19 poor 18 92 20 - 4.3-16.8 HG3 LYS 26 - HE2 LYS 31 poor 17 84 20 - 5.0-15.0 QB ALA 15 - HE2 LYS 31 poor 17 83 20 - 3.9-23.1 QB ALA 29 - HE3 LYS 26 poor 16 81 20 - 4.0-12.1 QB ALA 29 - HE2 LYS 26 poor 16 81 20 - 4.1-12.1 HG3 LYS 26 - HE3 LYS 31 poor 16 79 20 - 5.8-14.5 QB ALA 15 - HE3 LYS 31 poor 15 77 20 - 4.6-22.3 HG2 LYS 24 - HE3 LYS 19 poor 15 88 25 68 3.6-18.0 241/6.4=2, 1.8/532=2...(16) HG3 LYS 31 - HE2 LYS 26 poor 15 59 25 - 4.3-18.5 HG3 LYS 31 - HE2 LYS 36 poor 14 68 20 - 4.3-14.3 HG3 LYS 31 - HE3 LYS 36 poor 13 67 20 - 4.5-14.3 HG2 LYS 36 - HE2 LYS 26 far 12 81 15 - 5.0-27.0 HG3 LYS 31 - HE3 LYS 26 poor 12 59 20 - 4.8-18.3 QB ALA 21 - HE2 LYS 19 far 11 76 15 - 6.2-9.5 QB ALA 28 - HE2 LYS 26 far 11 75 15 - 5.9-10.2 QB ALA 21 - HE3 LYS 19 far 11 72 15 - 5.2-9.3 QB ALA 12 - HE3 LYS 24 far 10 99 10 - 5.0-19.7 HB2 LEU 42 - HE3 LYS 36 far 9 92 10 - 5.0-13.1 QB ALA 29 - HE2 LYS 24 far 9 89 10 - 5.6-13.5 HG3 LYS 26 - HE3 LYS 24 far 9 88 10 - 5.5-12.7 HG2 LYS 36 - HE2 LYS 31 far 9 86 10 - 5.3-13.7 QB ALA 28 - HE2 LYS 24 far 8 84 10 - 4.5-13.8 HG2 LYS 24 - HE3 LYS 26 far 8 82 10 - 5.4-12.1 HG2 LYS 24 - HE2 LYS 26 far 8 82 10 - 5.9-12.0 QB ALA 28 - HE3 LYS 31 poor 8 75 35 31 4.1-9.8 ~10771=20, 6334/7.1=5, 664/3.0=1 QB ALA 28 - HE3 LYS 19 far 8 81 10 - 5.7-22.4 QB ALA 46 - HE2 LYS 36 far 8 76 10 - 6.1-12.2 QB ALA 46 - HE3 LYS 36 far 7 75 10 - 5.5-13.5 QB ALA 28 - HE2 LYS 31 poor 7 81 30 31 4.7-10.1 ~10771=20, 6334/7.1=5, 664/3.0=1 QB ALA 108 - HE3 LYS 26 far 7 73 10 - 5.8-24.3 QB ALA 109 - HE3 LYS 26 far 6 64 10 - 5.3-26.1 HG3 LYS 31 - HE3 LYS 19 far 6 64 10 - 6.4-26.3 QB ALA 29 - HE3 LYS 36 lone 6 89 35 19 5.3-11.4 10739/10804=9, 10790/10825=8 QB ALA 29 - HE2 LYS 31 poor 6 86 30 22 4.3-10.0 10739/10804=6...(4) QB ALA 29 - HE2 LYS 36 poor 6 90 30 21 5.2-11.0 10790/10825=10, 10739/9008=9 QB ALA 12 - HE2 LYS 24 far 5 99 5 - 6.2-19.2 QB ALA 12 - HE2 LYS 31 far 5 97 5 - 6.0-23.5 QB ALA 29 - HE3 LYS 31 lone 5 81 30 20 4.8-10.3 10739/9008=5, 749/7.1=4...(4) HG2 LYS 19 - HE3 LYS 31 far 5 94 5 - 6.5-27.2 HB2 LEU 42 - HE2 LYS 36 far 5 93 5 - 6.0-12.2 HG2 LYS 24 - HE2 LYS 36 far 5 92 5 - 4.2-26.3 HG2 LYS 24 - HE3 LYS 36 far 5 91 5 - 5.7-27.3 QB ALA 29 - HE3 LYS 24 far 4 89 5 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 4 89 5 - 6.3-27.7 HG3 LYS 26 - HE2 LYS 24 far 4 88 5 - 5.0-12.3 QB ALA 15 - HE2 LYS 24 far 4 86 5 - 2.0-19.1 QB ALA 15 - HE3 LYS 24 far 4 86 5 - 2.0-19.1 HG3 LYS 26 - HE2 LYS 36 lone 4 89 25 19 4.6-24.5 10704/10813=3 QB ALA 108 - HE2 LYS 24 far 4 82 5 - 6.0-32.3 QB ALA 108 - HE3 LYS 24 far 4 82 5 - 6.2-33.6 HG2 LYS 36 - HE3 LYS 31 far 4 81 5 - 5.1-14.9 HG3 LYS 95 - HE3 LYS 24 far 4 80 5 - 4.2-36.6 HG3 LYS 95 - HE2 LYS 24 far 4 80 5 - 5.2-35.1 QB ALA 110 - HE3 LYS 26 far 4 77 5 - 4.0-28.9 QB ALA 110 - HE2 LYS 26 far 4 77 5 - 4.9-30.1 QB ALA 28 - HE3 LYS 26 far 4 75 5 - 5.4-9.7 HG2 LYS 95 - HE3 LYS 24 far 4 75 5 - 4.3-36.3 HG2 LYS 95 - HE2 LYS 24 far 4 75 5 - 5.7-34.8 QB ALA 21 - HE3 LYS 36 far 4 75 5 - 6.0-25.4 QB ALA 109 - HE2 LYS 19 far 4 73 5 - 5.1-43.2 QB ALA 108 - HE3 LYS 31 far 4 73 5 - 6.5-27.3 HG3 LYS 26 - HE3 LYS 36 lone 4 88 25 16 4.4-24.9 10704/10804=3 QB ALA 109 - HE3 LYS 19 far 3 69 5 - 4.7-41.8 HG3 LYS 31 - HE2 LYS 24 far 3 67 5 - 4.1-18.0 HG3 LYS 31 - HE3 LYS 24 far 3 67 5 - 5.2-18.7 QB ALA 21 - HE3 LYS 31 far 3 66 5 - 6.2-19.6 QB ALA 12 - HE2 LYS 19 lone 1 100 55 2 4.2-15.0 QB ALA 12 - HE3 LYS 19 lone 1 97 45 3 4.2-15.1 QB ALA 28 - HE3 LYS 24 lone 1 84 25 4 5.3-13.7 11150/9587=1 QB ALA 21 - HE2 LYS 24 lone 1 75 30 3 3.6-10.6 10726/865=1 QB ALA 21 - HE3 LYS 24 lone 1 75 30 3 3.2-11.7 10726/865=1 QB ALA 15 - HE2 LYS 19 lone 0 87 30 1 2.0-11.7 QB ALA 15 - HE3 LYS 19 lone 0 83 25 2 2.1-13.2 QB ALA 28 - HE2 LYS 36 far 0 85 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 64 0 - 6.6-27.0 QB ALA 21 - HE2 LYS 36 far 0 76 0 - 6.7-24.7 HG3 LYS 31 - HE2 LYS 19 far 0 68 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 82 0 - 6.8-19.4 QB ALA 21 - HE2 LYS 31 far 0 72 0 - 6.8-19.4 QB ALA 28 - HE2 LYS 19 far 0 85 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 73 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 84 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 78 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 93 0 - 7.1-22.7 QB ALA 21 - HE2 LYS 26 far 0 66 0 - 7.1-15.9 QB ALA 108 - HE2 LYS 19 far 0 83 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 78 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 86 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 72 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 88 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 87 0 - 7.5-24.9 QB ALA 21 - HE3 LYS 26 far 0 66 0 - 7.8-15.0 QB ALA 46 - HE2 LYS 26 far 0 66 0 - 7.9-21.0 HG2 LYS 36 - HE3 LYS 24 far 0 89 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 83 0 - 8.2-44.5 QB ALA 46 - HE3 LYS 26 far 0 66 0 - 8.3-21.1 HG2 LYS 19 - HE3 LYS 36 far 0 100 0 - 8.5-33.7 QB ALA 46 - HE2 LYS 31 far 0 72 0 - 8.5-18.3 QB ALA 29 - HE3 LYS 19 far 0 86 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 84 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 72 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 77 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 77 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 90 0 - 8.9-36.8 QB ALA 46 - HE3 LYS 19 far 0 72 0 - 8.9-32.2 QB ALA 109 - HE3 LYS 31 far 0 64 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 87 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 89 0 - 9.0-18.7 QB ALA 46 - HE3 LYS 24 far 0 75 0 - 9.1-23.5 HG2 LYS 36 - HE3 LYS 19 far 0 86 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 77 0 - 9.3-29.0 QB ALA 46 - HE2 LYS 24 far 0 75 0 - 9.4-23.2 QB ALA 29 - HE2 LYS 19 far 0 90 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 69 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 84 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 99 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 100 0 - 9.8-25.9 QB ALA 110 - HE2 LYS 24 far 0 86 0 - 9.9-37.5 QB ALA 46 - HE3 LYS 31 far 0 66 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 319 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 4.90 A): 18 out of 67 assignments used, quality = 1.00: * HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-4.2 4.0=100 HG3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-3.8 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.3-4.1 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.1-4.2 3.7=100 HG2 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 88 88 100 100 2.0-4.0 3.6=100 HG2 LYS 86 + HE3 LYS 86 OK 76 76 100 100 2.0-2.9 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 76 76 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 75 75 100 100 2.2-3.5 4.0=100 HG13 ILE 32 + HE3 LYS 36 OK 63 99 65 98 3.2-9.5 3.2/10721=23, ~10767=20...(65) HG13 ILE 32 + HE2 LYS 36 OK 54 100 55 98 2.8-9.0 3.2/10721=21, ~10767=20...(65) HG13 ILE 32 + HE2 LYS 31 OK 45 97 55 85 2.3-9.1 10757/6.5=15...(45) HG13 ILE 32 + HE3 LYS 26 OK 44 93 55 87 2.0-17.3 ~10767=12, 3.2/10766=12...(44) HG13 ILE 32 + HE2 LYS 26 OK 40 93 50 87 2.1-17.7 ~10767=12, 2.1/9008=12...(45) HG13 ILE 32 + HE3 LYS 31 OK 32 93 40 86 2.0-9.6 10757/6.5=15...(50) HG3 LYS 19 + HE2 LYS 24 OK 22 100 25 88 3.4-18.5 3.0/2634=3, 531=3...(89) HG3 LYS 19 - HE3 LYS 24 poor 20 100 20 - 4.8-19.1 HG3 LYS 36 - HE3 LYS 26 poor 20 66 30 - 4.4-26.9 HG2 LYS 31 - HE2 LYS 26 poor 19 94 20 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 poor 19 94 20 - 5.3-19.4 HG2 LYS 26 - HE2 LYS 31 poor 19 93 20 - 5.4-15.0 HG3 LYS 36 - HE2 LYS 26 poor 17 66 35 74 4.5-27.4 3.0/1004=8, ~1004=6...(24) HG3 LYS 24 - HE2 LYS 19 poor 16 100 25 62 3.7-17.8 823/5.1=3, 822/6.4=3...(11) HG3 LYS 24 - HE3 LYS 19 poor 15 98 25 62 4.5-18.1 823/5.1=3, 822/6.4=3...(9) HG2 LYS 31 - HE2 LYS 36 far 15 100 15 - 4.9-14.4 HG2 LYS 31 - HE3 LYS 36 far 15 100 15 - 5.4-14.2 QB ALA 34 - HE2 LYS 36 poor 14 71 20 - 5.1-8.4 QB ALA 34 - HE3 LYS 36 poor 14 70 20 - 5.3-9.2 HG3 LYS 36 - HE2 LYS 31 far 11 72 15 - 4.4-14.3 QB ALA 34 - HE2 LYS 26 far 9 62 15 - 5.7-20.7 HG2 LYS 26 - HE3 LYS 31 far 9 88 10 - 6.0-14.4 HG3 LYS 36 - HE3 LYS 31 far 7 66 10 - 3.7-15.5 HG3 LYS 24 - HE2 LYS 36 far 5 100 5 - 3.2-24.6 HG2 LYS 31 - HE2 LYS 24 far 5 100 5 - 3.3-18.4 HG2 LYS 31 - HE3 LYS 24 far 5 100 5 - 4.0-19.0 HG3 LYS 24 - HE3 LYS 36 far 5 100 5 - 4.8-25.5 HG2 LYS 26 - HE2 LYS 36 lone 5 96 30 17 4.1-24.5 908/10766=1 HG2 LYS 26 - HE2 LYS 24 far 5 96 5 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 5 96 5 - 6.0-13.5 HG3 LYS 36 - HE2 LYS 24 far 4 75 5 - 4.6-28.4 HG3 LYS 36 - HE3 LYS 24 far 4 75 5 - 6.2-28.3 QB ALA 34 - HE3 LYS 24 far 3 70 5 - 6.1-23.8 HG2 LYS 26 - HE3 LYS 36 lone 3 96 25 13 3.8-24.9 908/10766=2 QB ALA 34 - HE3 LYS 26 far 3 62 5 - 6.1-21.1 HG3 LYS 24 - HE3 LYS 26 far 0 94 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 70 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 94 0 - 6.7-12.9 QB ALA 34 - HE2 LYS 31 far 0 67 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 62 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 99 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 94 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 97 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 100 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 93 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 99 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 76 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 92 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 320 from cnoeabs.peaks (1.65, 2.96, 41.80 ppm; 4.24 A): 22 out of 129 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.6-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 90 90 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 88 88 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 19 - HE3 LYS 24 poor 20 100 20 - 2.9-18.4 HD3 LYS 26 - HE2 LYS 36 poor 20 98 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 19 97 20 - 3.8-24.9 HD2 LYS 26 - HE3 LYS 36 poor 19 96 20 - 3.3-25.8 HD2 LYS 24 - HE2 LYS 19 poor 19 96 20 - 5.2-19.0 HD3 LYS 24 - HE3 LYS 19 poor 19 93 20 - 3.7-17.8 HD2 LYS 36 - HE3 LYS 26 poor 18 71 25 - 2.5-24.7 HD3 LYS 36 - HE3 LYS 26 poor 18 71 25 - 3.6-25.8 HD2 LYS 36 - HE2 LYS 31 poor 15 76 20 - 3.1-14.2 HD2 LYS 26 - HE2 LYS 36 far 14 96 15 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 26 poor 14 71 20 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 14 92 15 - 3.9-18.3 HG3 ARG 23 - HE2 LYS 26 poor 13 66 20 - 3.4-15.6 HG3 ARG 23 - HE3 LYS 26 poor 13 66 20 - 5.1-16.8 HD2 LYS 19 - HE2 LYS 24 poor 11 100 35 31 2.6-17.0 3.9/2634=2, 5.2/11770=2...(4) HD3 LYS 36 - HE2 LYS 26 far 11 71 15 - 4.7-26.1 HD2 LYS 31 - HE2 LYS 36 far 10 96 10 - 4.6-13.1 HD3 LYS 26 - HE2 LYS 31 far 9 95 10 - 4.2-14.6 HD2 LYS 26 - HE2 LYS 31 far 9 93 10 - 3.3-15.6 HD3 LYS 19 - HE2 LYS 24 poor 9 100 30 30 2.7-18.2 3.9/2634=2, 5.2/11770=2...(4) HD3 LYS 26 - HE3 LYS 31 far 9 90 10 - 4.6-14.9 HD3 LYS 24 - HE2 LYS 19 poor 9 97 25 37 4.2-18.5 2632/5.1=2, 307/3.8=1...(5) HD3 LYS 31 - HE2 LYS 26 far 9 88 10 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 9 88 10 - 4.9-15.3 HD3 LYS 19 - HE3 LYS 24 poor 8 100 25 32 2.2-19.0 3.9/2634=2, 5.2/11770=2...(5) HD3 LYS 36 - HE2 LYS 31 far 8 76 10 - 4.3-13.8 HG3 ARG 23 - HE2 LYS 36 far 8 76 10 - 5.2-24.9 HD2 LYS 36 - HE3 LYS 31 far 7 71 10 - 3.6-14.4 HD3 LYS 31 - HE2 LYS 36 far 5 96 5 - 4.3-12.0 HD3 LYS 95 - HE3 LYS 24 far 5 97 5 - 5.3-36.2 HD3 LYS 24 - HE2 LYS 36 far 5 96 5 - 5.7-25.1 HD3 LYS 31 - HE2 LYS 24 far 5 96 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 5 96 5 - 5.0-18.2 HD3 LYS 31 - HE3 LYS 36 far 5 96 5 - 5.3-12.3 HD2 LYS 24 - HE2 LYS 36 far 5 96 5 - 5.2-24.7 HD2 LYS 31 - HE3 LYS 36 far 5 95 5 - 5.7-13.3 HD3 LYS 31 - HE3 LYS 26 far 4 88 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 26 far 4 87 5 - 5.2-17.8 HG3 ARG 23 - HE3 LYS 36 far 4 75 5 - 5.1-25.4 HD3 LYS 36 - HE3 LYS 31 far 4 71 5 - 4.8-13.8 HG3 ARG 23 - HE3 LYS 31 far 3 66 5 - 5.1-21.5 HB2 LEU 69 - HE2 LYS 36 far 0 83 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 88 0 - 5.7-13.3 HG3 ARG 23 - HE2 LYS 31 far 0 72 0 - 5.8-20.4 HG3 ARG 23 - HE3 LYS 19 far 0 72 0 - 5.8-14.9 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 80 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 82 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 95 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 88 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 97 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 100 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 100 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 96 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 95 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 80 0 - 7.0-26.2 HG3 ARG 23 - HE2 LYS 19 far 0 76 0 - 7.1-15.8 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 87 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 96 0 - 7.4-26.2 HG3 ARG 23 - HE2 LYS 24 far 0 75 0 - 7.5-11.5 HG2 ARG 84 - HE3 LYS 86 far 0 96 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 88 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 80 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.6-12.5 HG3 ARG 23 - HE3 LYS 24 far 0 75 0 - 7.7-11.7 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 100 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 97 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 100 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 96 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 99 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 59 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 73 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 80 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 92 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 59 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 92 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 94 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 93 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 96 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 100 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 78 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 98 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 100 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 95 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 97 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 73 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 59 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 60 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 94 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 92 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 321 from cnoeabs.peaks (1.65, 2.96, 41.80 ppm; 4.24 A): 22 out of 129 assignments used, quality = 1.00: * HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 97 97 100 100 2.6-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 90 90 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 88 88 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 19 - HE3 LYS 24 poor 20 100 20 - 2.9-18.4 HD3 LYS 26 - HE2 LYS 36 poor 20 98 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 19 97 20 - 3.8-24.9 HD2 LYS 26 - HE3 LYS 36 poor 19 96 20 - 3.3-25.8 HD2 LYS 24 - HE2 LYS 19 poor 19 96 20 - 5.2-19.0 HD3 LYS 24 - HE3 LYS 19 poor 19 93 20 - 3.7-17.8 HD2 LYS 36 - HE3 LYS 26 poor 18 71 25 - 2.5-24.7 HD3 LYS 36 - HE3 LYS 26 poor 18 71 25 - 3.6-25.8 HD2 LYS 36 - HE2 LYS 31 poor 15 76 20 - 3.1-14.2 HD2 LYS 26 - HE2 LYS 36 far 14 96 15 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 26 poor 14 71 20 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 14 92 15 - 3.9-18.3 HG3 ARG 23 - HE2 LYS 26 poor 13 66 20 - 3.4-15.6 HG3 ARG 23 - HE3 LYS 26 poor 13 66 20 - 5.1-16.8 HD2 LYS 19 - HE2 LYS 24 poor 11 100 35 31 2.6-17.0 3.9/2634=2, 5.2/11770=2...(4) HD3 LYS 36 - HE2 LYS 26 far 11 71 15 - 4.7-26.1 HD2 LYS 31 - HE2 LYS 36 far 10 96 10 - 4.6-13.1 HD3 LYS 26 - HE2 LYS 31 far 9 95 10 - 4.2-14.6 HD2 LYS 26 - HE2 LYS 31 far 9 93 10 - 3.3-15.6 HD3 LYS 19 - HE2 LYS 24 poor 9 100 30 30 2.7-18.2 3.9/2634=2, 5.2/11770=2...(4) HD3 LYS 26 - HE3 LYS 31 far 9 90 10 - 4.6-14.9 HD3 LYS 24 - HE2 LYS 19 poor 9 97 25 37 4.2-18.5 2632/5.1=2, 307/3.8=1...(5) HD3 LYS 31 - HE2 LYS 26 far 9 88 10 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 9 88 10 - 4.9-15.3 HD3 LYS 19 - HE3 LYS 24 poor 8 100 25 32 2.2-19.0 3.9/2634=2, 5.2/11770=2...(5) HD3 LYS 36 - HE2 LYS 31 far 8 76 10 - 4.3-13.8 HG3 ARG 23 - HE2 LYS 36 far 8 76 10 - 5.2-24.9 HD2 LYS 36 - HE3 LYS 31 far 7 71 10 - 3.6-14.4 HD3 LYS 31 - HE2 LYS 36 far 5 96 5 - 4.3-12.0 HD3 LYS 95 - HE3 LYS 24 far 5 97 5 - 5.3-36.2 HD3 LYS 24 - HE2 LYS 36 far 5 96 5 - 5.7-25.1 HD3 LYS 31 - HE2 LYS 24 far 5 96 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 5 96 5 - 5.0-18.2 HD3 LYS 31 - HE3 LYS 36 far 5 96 5 - 5.3-12.3 HD2 LYS 24 - HE2 LYS 36 far 5 96 5 - 5.2-24.7 HD2 LYS 31 - HE3 LYS 36 far 5 95 5 - 5.7-13.3 HD3 LYS 31 - HE3 LYS 26 far 4 88 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 26 far 4 87 5 - 5.2-17.8 HG3 ARG 23 - HE3 LYS 36 far 4 75 5 - 5.1-25.4 HD3 LYS 36 - HE3 LYS 31 far 4 71 5 - 4.8-13.8 HG3 ARG 23 - HE3 LYS 31 far 3 66 5 - 5.1-21.5 HB2 LEU 69 - HE2 LYS 36 far 0 83 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 88 0 - 5.7-13.3 HG3 ARG 23 - HE2 LYS 31 far 0 72 0 - 5.8-20.4 HG3 ARG 23 - HE3 LYS 19 far 0 72 0 - 5.8-14.9 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 80 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 82 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 95 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 88 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 97 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 100 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 100 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 96 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 95 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 80 0 - 7.0-26.2 HG3 ARG 23 - HE2 LYS 19 far 0 76 0 - 7.1-15.8 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 87 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 96 0 - 7.4-26.2 HG3 ARG 23 - HE2 LYS 24 far 0 75 0 - 7.5-11.5 HG2 ARG 84 - HE3 LYS 86 far 0 96 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 88 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 80 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.6-12.5 HG3 ARG 23 - HE3 LYS 24 far 0 75 0 - 7.7-11.7 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 100 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 97 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 100 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 96 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 99 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 59 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 73 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 80 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 92 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 59 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 92 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 94 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 93 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 96 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 100 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 78 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 98 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 100 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 95 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 97 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 73 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 59 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 60 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 94 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 92 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 322 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 97 97 - 100 HE2 LYS 31 + HE2 LYS 31 OK 97 97 - 100 HE2 LYS 26 + HE2 LYS 26 OK 90 90 - 100 HE3 LYS 26 + HE3 LYS 26 OK 90 90 - 100 HE3 LYS 31 + HE3 LYS 31 OK 90 90 - 100 Peak 323 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE2 LYS 31 + HE2 LYS 31 OK 98 98 - 100 HE3 LYS 19 + HE3 LYS 19 OK 98 98 - 100 HE2 LYS 24 + HE2 LYS 24 OK 97 97 - 100 HE2 LYS 26 + HE2 LYS 26 OK 94 94 - 100 HE3 LYS 26 + HE3 LYS 26 OK 94 94 - 100 HE3 LYS 31 + HE3 LYS 31 OK 94 94 - 100 Reference assignment not found: HE3 LYS 19 - HE2 LYS 19 Peak 326 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 5.57 A): 24 out of 165 assignments used, quality = 1.00: * HA LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.0-5.4 6.4=66, 627/3.8=29...(34) HA LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.9-6.5 6.0=81, 3.0/1064=39...(24) HA LYS 19 + HE2 LYS 19 OK 97 98 100 99 3.2-5.7 6.4=66, 627/3.8=29...(34) HA LYS 26 + HE2 LYS 26 OK 97 100 100 97 2.7-6.4 6.6=60, 627/3.6=31...(23) HA LYS 26 + HE3 LYS 26 OK 97 100 100 97 3.4-6.0 6.6=60, 627/3.6=31...(23) HA LYS 31 + HE2 LYS 31 OK 95 97 100 98 1.9-5.7 6.5=64, 822/3.7=29...(29) HA LYS 31 + HE3 LYS 31 OK 95 97 100 98 2.5-5.6 6.5=64, 822/3.7=29...(29) HA LYS 36 + HE2 LYS 36 OK 94 94 100 100 3.9-6.2 6.0=81, 3.0/1064=39...(25) HA PHE 87 + HE3 LYS 86 OK 87 99 90 98 3.9-7.4 4.9/2704=72...(13) HA LYS 19 + HE3 LYS 24 OK 45 100 50 91 2.9-16.7 822/4.0=6, 241/4.0=5...(127) HA THR 18 + HE3 LYS 19 OK 41 71 80 73 4.3-9.2 10686/3.8=36, 226/7.3=25...(8) HA THR 25 + HE2 LYS 24 OK 40 64 70 90 2.0-8.6 11128/5.1=23, 9587=19...(16) HA THR 25 + HE2 LYS 26 OK 37 72 60 85 2.9-9.2 582/7.1=30, 11150/3.6=20...(13) HA LYS 19 + HE2 LYS 24 OK 35 94 40 93 1.9-16.1 822/4.0=6, 241/4.0=5...(160) HA LYS 31 + HE3 LYS 26 OK 33 97 35 98 5.3-18.9 3.0/6338=7, ~6338=6...(173) HA THR 25 + HE3 LYS 24 OK 32 72 50 89 2.3-9.0 11128/5.1=23...(15) HA LYS 26 + HE3 LYS 31 OK 32 100 35 92 4.4-13.1 790/4.8=7, 822/3.7=7...(131) HA LYS 26 + HE2 LYS 31 OK 32 100 35 91 5.0-12.6 790/4.8=7, 822/3.7=7...(129) HA THR 25 + HE3 LYS 26 OK 31 72 50 85 2.2-9.3 582/7.1=30, 11150/3.6=20...(13) HA ARG 23 + HE2 LYS 26 OK 29 84 55 64 2.7-12.5 3.8/11618=10, 627/3.6=3...(32) HA THR 18 + HE2 LYS 19 OK 29 67 60 73 2.7-8.8 10686/3.8=36, 226/7.3=25...(8) HA LYS 31 + HE2 LYS 26 OK 28 97 30 97 5.0-18.9 3.0/6338=7, ~6338=6...(173) HA ARG 23 + HE3 LYS 26 OK 27 84 50 64 2.0-13.5 3.8/11618=6, 627/3.6=3...(36) HA LYS 36 + HE3 LYS 26 OK 26 98 35 76 3.5-29.4 3.0/1003=11, ~1004=8...(36) HA ALA 21 - HE2 LYS 24 poor 20 66 30 - 2.6-12.5 HA GLN 27 - HE2 LYS 26 poor 19 75 40 64 3.2-8.6 ~6267=22, ~6266=22...(12) HA LYS 36 - HE2 LYS 26 poor 19 98 25 77 3.2-29.7 3.0/1004=10, ~1004=8...(41) HA ARG 23 - HE2 LYS 24 poor 18 75 40 59 6.3-9.4 424/7.4=30, 833/4.0=8...(15) HA ALA 12 - HE3 LYS 19 poor 17 87 20 - 4.5-19.2 HA ARG 23 - HE3 LYS 24 poor 17 84 35 57 5.5-9.3 424/7.4=30, 833/4.0=8...(14) HA GLN 27 - HE3 LYS 26 poor 17 75 35 63 3.7-8.8 ~6267=22, ~6266=22...(12) HA LYS 31 - HE3 LYS 36 poor 15 97 50 31 4.8-12.9 10753/10804=4...(5) HA GLN 27 - HE3 LYS 36 poor 15 75 20 - 3.3-19.2 HA LEU 22 - HE2 LYS 26 far 15 100 15 - 4.0-14.7 HA LYS 26 - HE3 LYS 36 far 15 100 15 - 6.7-22.7 HA ALA 16 - HE3 LYS 19 far 15 98 15 - 4.9-11.6 HA THR 25 - HE2 LYS 31 poor 15 73 20 - 3.1-14.8 HA ALA 16 - HE2 LYS 19 far 14 95 15 - 5.1-12.4 HA GLN 27 - HE2 LYS 36 poor 14 70 20 - 4.2-18.7 HA THR 18 - HE3 LYS 24 poor 14 70 20 - 4.1-17.6 HA ARG 23 - HE3 LYS 36 far 13 84 15 - 6.1-25.9 HA THR 18 - HE2 LYS 24 poor 12 62 20 - 4.8-17.4 HA LEU 22 - HE3 LYS 24 poor 12 100 40 30 1.9-11.8 11967/4.0=13, 6212/7.4=7...(8) HA LEU 22 - HE2 LYS 24 poor 11 94 40 30 3.0-11.0 11967/4.0=13, 6212/7.4=7...(7) HA THR 25 - HE3 LYS 31 far 11 72 15 - 2.8-14.8 HA LEU 22 - HE3 LYS 26 far 10 100 10 - 5.2-15.2 HA LYS 26 - HE3 LYS 24 far 10 100 10 - 6.6-11.5 HA ALA 16 - HE3 LYS 31 far 10 97 10 - 5.0-28.0 HA LYS 26 - HE2 LYS 36 far 10 97 10 - 5.2-22.3 HA LYS 26 - HE2 LYS 24 far 9 94 10 - 5.6-11.4 HA ALA 28 - HE2 LYS 31 far 9 60 15 - 6.8-12.9 HA ALA 28 - HE2 LYS 26 far 9 59 15 - 5.8-11.2 HA ALA 15 - HE2 LYS 31 far 9 87 10 - 5.4-27.5 HA LYS 31 - HE2 LYS 36 poor 9 93 25 37 5.5-13.1 10753/9008=4...(7) HA ARG 23 - HE2 LYS 31 far 8 85 10 - 6.0-17.4 HA ARG 23 - HE2 LYS 36 far 8 79 10 - 5.7-25.3 HA GLN 27 - HE3 LYS 31 far 7 75 10 - 5.0-12.1 HA ALA 21 - HE2 LYS 26 far 7 75 10 - 6.8-17.6 HA THR 25 - HE3 LYS 36 far 7 72 10 - 5.5-23.8 HA THR 18 - HE2 LYS 31 far 7 71 10 - 5.9-25.3 HA THR 18 - HE3 LYS 31 far 7 70 10 - 5.3-25.8 HA ALA 28 - HE3 LYS 26 far 6 59 10 - 5.4-11.4 HA LYS 19 - HE3 LYS 31 far 5 100 5 - 6.8-26.4 HA ALA 16 - HE2 LYS 31 far 5 98 5 - 6.3-27.2 HA LYS 31 - HE3 LYS 19 far 5 97 5 - 5.6-27.5 HA ALA 16 - HE3 LYS 24 far 5 97 5 - 5.5-21.7 HA ALA 16 - HE3 LYS 36 far 5 97 5 - 6.3-32.1 HA ALA 109 - HE3 LYS 19 far 5 97 5 - 6.5-51.9 HA ALA 109 - HE3 LYS 26 far 5 97 5 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 5 97 5 - 4.9-30.3 HA ALA 109 - HE2 LYS 26 far 5 97 5 - 5.8-33.8 HA ALA 108 - HE2 LYS 26 far 5 97 5 - 6.6-31.8 HA ALA 108 - HE3 LYS 31 far 5 97 5 - 6.8-33.7 HA LYS 31 - HE2 LYS 19 far 5 94 5 - 5.1-27.7 HA GLN 61 - HE2 LYS 31 far 5 93 5 - 6.6-24.3 HA GLN 61 - HE2 LYS 26 far 5 92 5 - 2.5-26.5 HA GLN 61 - HE3 LYS 26 far 5 92 5 - 3.6-26.6 HA GLN 61 - HE3 LYS 24 far 5 92 5 - 6.3-26.7 HA GLN 61 - HE3 LYS 31 far 5 92 5 - 6.4-25.1 HA LYS 36 - HE2 LYS 24 far 5 91 5 - 6.4-29.6 HA ALA 16 - HE2 LYS 24 far 4 90 5 - 5.1-21.6 HA LYS 31 - HE2 LYS 24 far 4 89 5 - 6.0-19.7 HA ALA 110 - HE3 LYS 26 far 4 88 5 - 5.9-33.9 HA ALA 15 - HE3 LYS 24 far 4 86 5 - 2.7-24.2 HA ALA 15 - HE3 LYS 31 far 4 86 5 - 5.9-26.5 HA GLN 61 - HE2 LYS 24 far 4 84 5 - 5.8-25.5 HA ARG 84 - HE3 LYS 86 far 4 82 5 - 7.1-8.5 HA ALA 15 - HE2 LYS 24 far 4 77 5 - 3.2-24.3 HA GLN 27 - HE2 LYS 31 far 4 76 5 - 6.7-11.5 HA GLN 27 - HE3 LYS 24 far 4 75 5 - 6.5-14.9 HA ALA 21 - HE3 LYS 36 far 4 75 5 - 6.5-28.1 HA THR 18 - HE3 LYS 36 far 3 70 5 - 5.0-33.6 HA THR 25 - HE2 LYS 36 far 3 68 5 - 4.9-23.1 HA THR 18 - HE2 LYS 36 far 3 65 5 - 6.5-32.9 HA ALA 28 - HE3 LYS 31 far 3 59 5 - 6.3-12.6 HA ALA 28 - HE3 LYS 36 far 3 59 5 - 6.5-17.6 HA ALA 28 - HE3 LYS 24 far 3 59 5 - 6.7-14.6 HA ALA 21 - HE3 LYS 24 lone 1 75 40 3 2.0-13.7 HA ALA 15 - HE2 LYS 19 lone 1 83 35 2 2.2-14.3 HA ALA 12 - HE2 LYS 19 lone 1 83 25 2 3.7-20.1 HA ALA 15 - HE3 LYS 19 lone 0 87 25 2 2.0-14.9 HA ALA 108 - HE3 LYS 19 far 0 97 0 - 7.1-50.0 HA ARG 23 - HE3 LYS 31 far 0 84 0 - 7.1-18.5 HA LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-15.1 HA ALA 21 - HE2 LYS 36 far 0 70 0 - 7.2-27.3 HA GLN 27 - HE2 LYS 24 far 0 66 0 - 7.2-14.8 HA ALA 21 - HE3 LYS 31 far 0 75 0 - 7.2-21.7 HA LYS 31 - HE3 LYS 24 far 0 97 0 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 0 99 0 - 7.3-13.7 HA LYS 36 - HE3 LYS 24 far 0 98 0 - 7.3-29.3 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.4-25.6 HA THR 25 - HE2 LYS 19 far 0 69 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 88 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 76 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 94 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 73 0 - 7.5-20.7 HA ALA 28 - HE2 LYS 36 far 0 55 0 - 7.5-16.9 HA ALA 108 - HE2 LYS 31 far 0 97 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 94 0 - 7.5-31.5 HA ALA 28 - HE2 LYS 24 far 0 52 0 - 7.6-14.9 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 75 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 94 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 93 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 76 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 86 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 81 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 89 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 88 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 100 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 85 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 77 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 97 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 98 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 100 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 73 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 70 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 86 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 98 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 72 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 89 0 - 8.9-40.0 HA ALA 28 - HE3 LYS 19 far 0 60 0 - 8.9-24.7 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 87 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 92 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 98 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 84 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 97 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 99 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 96 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 89 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 68 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 70 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 86 0 - 9.6-27.2 HA ALA 28 - HE2 LYS 19 far 0 56 0 - 9.7-25.6 HA LYS 19 - HE2 LYS 36 far 0 97 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 89 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 70 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 81 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 97 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 79 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 100 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 72 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 327 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 4.58 A): 13 out of 61 assignments used, quality = 1.00: HB2 LYS 26 + HE2 LYS 26 OK 99 100 100 99 2.0-5.2 4.8=87, 6250/7.1=27...(57) HB2 LYS 26 + HE3 LYS 26 OK 99 100 100 99 2.6-5.5 4.8=87, 6250/7.1=27...(57) * HB2 LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.8-5.0 5.1=73, 6149/7.3=25...(64) HB2 LYS 24 + HE3 LYS 24 OK 98 100 100 99 3.1-5.1 5.1=74, 491/6.4=36...(31) HB2 LYS 31 + HE2 LYS 31 OK 98 99 100 98 2.0-4.9 4.8=85, 6331/7.1=24...(56) HB2 LYS 31 + HE3 LYS 31 OK 97 98 100 98 1.8-4.7 4.8=85, 6331/7.1=24...(56) HB2 LYS 19 + HE2 LYS 19 OK 97 98 100 99 3.2-5.1 5.1=73, 6149/7.3=25...(64) HB2 LYS 24 + HE2 LYS 24 OK 92 94 100 99 2.0-4.5 5.1=74, 491/6.4=36...(31) HB ILE 80 + HE3 LYS 86 OK 83 92 90 100 2.3-7.3 ~11243=54, 9729/2704=48...(24) HB2 LYS 31 + HE2 LYS 26 OK 31 98 35 89 3.2-17.5 639/3.6=7, 628/3.6=6...(113) HG3 ARG 90 + HE3 LYS 86 OK 28 84 40 83 4.2-9.7 11303/9660=42...(9) HB2 LYS 31 + HE3 LYS 26 OK 26 98 30 89 3.4-17.3 639/3.6=7, 628/3.6=6...(110) HB2 ARG 23 + HE2 LYS 26 OK 22 99 45 50 3.9-14.3 430/11618=8, ~11618=4...(10) HB2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 4.9-22.7 HB2 LYS 24 - HE2 LYS 19 poor 20 98 20 - 3.8-18.2 HB2 ARG 23 - HE3 LYS 26 poor 19 99 40 49 3.3-14.8 ~11618=6, 430/11618=5...(10) HB2 LYS 19 - HE2 LYS 24 poor 19 94 20 - 4.1-17.5 HB2 LYS 26 - HE3 LYS 31 far 15 100 15 - 4.2-12.2 HB2 LYS 26 - HE2 LYS 31 poor 15 100 20 75 4.4-12.8 823/3.7=5, 834/3.7=5...(59) HB2 LYS 24 - HE2 LYS 26 far 15 100 15 - 5.6-12.3 HB2 LYS 31 - HE3 LYS 36 far 15 98 15 - 4.9-12.6 HB2 LYS 24 - HE3 LYS 19 poor 10 100 25 42 4.9-17.5 305/2.9=1, 2.9/1025=1...(6) HB2 LYS 19 - HE2 LYS 31 far 10 100 10 - 5.2-25.0 HB2 LYS 19 - HE3 LYS 24 far 10 100 10 - 5.3-18.0 HB2 LYS 24 - HE3 LYS 26 far 10 100 10 - 5.3-12.3 HB2 ARG 23 - HE3 LYS 36 far 10 99 10 - 4.0-24.1 HB2 LYS 26 - HE2 LYS 36 far 10 97 10 - 3.3-22.3 HB2 ARG 23 - HE2 LYS 36 far 10 96 10 - 3.8-23.4 HB2 LYS 26 - HE3 LYS 24 far 5 100 5 - 4.4-13.6 HB2 LYS 24 - HE3 LYS 36 far 5 100 5 - 3.6-27.4 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.9-25.9 HB2 ARG 23 - HE3 LYS 31 far 5 99 5 - 5.7-20.0 HB2 ARG 23 - HE3 LYS 24 far 5 99 5 - 5.8-11.2 HB2 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.8-20.7 HB2 LYS 24 - HE2 LYS 36 far 5 97 5 - 1.9-26.5 HB2 LYS 31 - HE2 LYS 36 far 5 95 5 - 3.5-12.9 HB2 LYS 26 - HE2 LYS 24 far 5 94 5 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 5 92 5 - 4.9-20.2 HB2 ARG 23 - HE2 LYS 24 far 0 93 0 - 6.2-11.2 HB2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.7-18.7 HB2 LEU 43 - HE3 LYS 36 far 0 75 0 - 6.8-18.1 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.8-24.3 HB2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.9-18.8 HB2 ARG 23 - HE2 LYS 31 far 0 100 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 0 96 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 100 0 - 7.5-16.1 HB2 LEU 43 - HE2 LYS 31 far 0 76 0 - 7.6-24.1 HB2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.2-24.9 HB2 LEU 43 - HE2 LYS 36 far 0 70 0 - 8.5-17.0 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 96 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 97 0 - 8.9-16.3 HB2 LEU 43 - HE3 LYS 31 far 0 75 0 - 9.3-24.7 HG13 ILE 129 - HE3 LYS 86 far 0 98 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 92 0 - 9.7-15.5 HB2 LEU 43 - HE3 LYS 24 far 0 75 0 - 9.7-31.8 HG LEU 100 - HE3 LYS 31 far 0 64 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 96 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 328 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 5.30 A): 27 out of 75 assignments used, quality = 1.00: HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 * HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-4.5 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-5.4 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.3-5.0 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.1-4.9 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.3-4.7 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-5.1 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 86 86 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 36 OK 76 96 80 99 3.4-7.6 10833/3.0=25...(57) HB ILE 32 + HE3 LYS 36 OK 74 99 75 99 2.0-7.9 2.1/10721=28...(56) HB ILE 32 + HE3 LYS 26 OK 55 99 60 92 4.6-19.4 2.1/10721=15, ~10840=12...(59) HB ILE 32 + HE2 LYS 26 OK 50 99 55 93 4.8-19.8 2.1/10840=15, ~10721=12...(60) HB ILE 32 + HE2 LYS 31 OK 50 99 55 91 4.3-9.5 3.2/10804=12, 10825=12...(60) HB3 LYS 31 + HE2 LYS 26 OK 47 100 50 95 2.2-19.2 629/3.6=9, 273/3.6=6...(132) HB3 LYS 31 + HE3 LYS 26 OK 42 100 45 95 3.3-19.0 629/3.6=9, 273/3.6=6...(119) HB ILE 32 + HE3 LYS 31 OK 41 99 45 92 4.6-10.3 10825/1.8=10...(60) HB3 LYS 19 + HE3 LYS 24 OK 40 100 45 89 3.9-16.9 2634=4, 2634/1.8=4...(115) HB2 LYS 36 + HE3 LYS 26 OK 34 99 45 76 2.6-28.9 1.8/1003=12, ~1004=9...(27) HB3 LYS 19 + HE2 LYS 24 OK 29 94 35 90 2.6-16.3 2634=5, 3.0/11770=4...(117) HB3 ARG 23 + HE2 LYS 26 OK 29 96 50 60 3.0-13.9 3.0/11618=10, ~11618=6...(39) HB3 ARG 23 + HE3 LYS 26 OK 28 96 50 59 2.6-15.2 ~11618=8, 3.0/11618=7...(41) HB2 LYS 36 + HE2 LYS 26 OK 28 99 35 81 2.4-29.4 1.8/1004=11, ~1004=9...(35) HB3 LYS 26 + HE2 LYS 31 OK 26 99 30 86 3.9-12.8 824/3.7=6, 835/3.7=5...(92) HB3 LYS 26 + HE3 LYS 31 OK 25 98 30 86 4.4-13.0 824/3.7=6, 835/3.7=5...(90) HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 LYS 24 - HE2 LYS 19 poor 20 98 20 - 3.5-17.2 HB3 LYS 24 - HE3 LYS 19 poor 15 100 25 60 4.6-17.1 2.9/1025=2, 815/3.8=1...(30) HB3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.9-14.1 HB2 LYS 36 - HE2 LYS 31 far 15 100 15 - 6.2-12.8 HB2 LYS 36 - HE3 LYS 31 far 15 99 15 - 5.6-14.2 HB3 LYS 31 - HE2 LYS 36 far 15 97 15 - 5.3-14.3 HB3 LYS 26 - HE2 LYS 36 far 14 95 15 - 4.2-22.7 HB3 ARG 23 - HE3 LYS 36 far 10 96 10 - 4.4-24.0 HB3 ARG 23 - HE3 LYS 31 far 10 96 10 - 5.4-20.0 HB3 LYS 31 - HE2 LYS 24 far 9 94 10 - 6.0-19.3 HB3 ARG 23 - HE2 LYS 36 far 9 92 10 - 3.5-23.5 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.5-26.1 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 19 - HE2 LYS 26 far 5 100 5 - 6.1-23.7 HB3 LYS 31 - HE3 LYS 24 far 5 100 5 - 6.7-20.0 HB3 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.6 HB3 LYS 31 - HE2 LYS 19 far 5 98 5 - 5.8-26.9 HB3 LYS 24 - HE2 LYS 36 far 5 97 5 - 3.5-25.9 HB3 ARG 23 - HE2 LYS 31 far 5 97 5 - 6.3-18.9 HB2 LYS 36 - HE2 LYS 24 far 5 93 5 - 6.1-29.9 HB3 LYS 26 - HE2 LYS 24 far 5 92 5 - 5.2-13.2 HB3 LYS 26 - HE3 LYS 36 lone 4 98 25 17 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LEU 98 - HE3 LYS 24 far 3 64 5 - 6.5-36.2 HB2 CYS 79 - HE3 LYS 86 far 3 63 5 - 6.5-10.0 HB3 LYS 24 - HE2 LYS 26 lone 3 100 30 10 5.5-13.1 985/9587=1 HB3 LEU 98 - HE2 LYS 24 far 3 57 5 - 6.6-34.7 HB3 ARG 23 - HE3 LYS 24 far 0 96 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 88 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 92 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 99 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 100 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 87 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 99 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 84 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 96 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 86 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 98 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 84 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 329 from cnoeabs.peaks (1.36, 2.96, 41.80 ppm; 3.84 A): 10 out of 134 assignments used, quality = 1.00: * HG2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-3.2 3.8=100 HG3 LYS 26 + HE2 LYS 26 OK 88 88 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 88 88 100 100 2.1-4.1 3.6=100 HG2 LYS 24 + HE3 LYS 24 OK 87 91 100 96 2.1-4.2 4.0=89, 483/6.4=20...(19) HG2 LYS 36 + HE3 LYS 36 OK 87 89 100 97 2.0-4.2 4.0=88, 3.0/1064=21...(23) HG2 LYS 36 + HE2 LYS 36 OK 82 85 100 97 2.6-4.2 4.0=88, 3.0/1064=21...(23) HG2 LYS 24 + HE2 LYS 24 OK 79 82 100 96 2.0-3.9 4.0=89, 483/6.4=20...(20) HG3 LYS 31 + HE2 LYS 31 OK 68 68 100 100 2.4-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 67 67 100 100 2.0-4.2 3.7=100 HG2 LYS 19 - HE3 LYS 24 poor 20 100 20 - 3.9-19.3 QB ALA 12 - HE3 LYS 19 poor 20 100 20 - 4.2-15.1 QB ALA 12 - HE2 LYS 19 poor 19 97 20 - 4.2-15.0 HG2 LYS 19 - HE2 LYS 24 poor 19 94 20 - 2.9-18.6 QB ALA 21 - HE3 LYS 24 poor 19 75 25 - 3.2-11.7 QB ALA 28 - HE3 LYS 31 poor 17 84 20 - 4.1-9.8 QB ALA 29 - HE2 LYS 31 far 14 90 15 - 4.3-10.0 QB ALA 29 - HE3 LYS 26 far 13 89 15 - 4.0-12.1 QB ALA 29 - HE2 LYS 26 far 13 89 15 - 4.1-12.1 QB ALA 15 - HE3 LYS 19 far 13 87 15 - 2.1-13.2 QB ALA 29 - HE2 LYS 36 far 13 85 15 - 5.2-11.0 QB ALA 15 - HE2 LYS 19 far 12 83 15 - 2.0-11.7 HG3 LYS 31 - HE3 LYS 36 far 10 67 15 - 4.5-14.3 QB ALA 21 - HE2 LYS 24 far 10 66 15 - 3.6-10.6 HG2 LYS 24 - HE3 LYS 19 far 9 92 10 - 3.6-18.0 QB ALA 29 - HE3 LYS 31 far 9 89 10 - 4.8-10.3 HG2 LYS 36 - HE3 LYS 26 far 9 89 10 - 5.1-26.6 HG2 LYS 24 - HE2 LYS 19 far 9 88 10 - 4.3-16.8 QB ALA 15 - HE2 LYS 31 far 9 87 10 - 3.9-23.1 QB ALA 28 - HE2 LYS 24 far 8 75 10 - 4.5-13.8 HG3 LYS 31 - HE2 LYS 26 far 7 67 10 - 4.3-18.5 HG3 LYS 31 - HE3 LYS 26 far 7 67 10 - 4.8-18.3 QB ALA 12 - HE3 LYS 24 far 5 99 5 - 5.0-19.7 HB2 LEU 42 - HE3 LYS 36 far 5 92 5 - 5.0-13.1 HG2 LYS 36 - HE2 LYS 31 far 5 90 5 - 5.3-13.7 HG2 LYS 36 - HE2 LYS 26 far 4 89 5 - 5.0-27.0 HG2 LYS 36 - HE3 LYS 31 far 4 89 5 - 5.1-14.9 QB ALA 29 - HE3 LYS 36 far 4 89 5 - 5.3-11.4 HG3 LYS 26 - HE2 LYS 31 far 4 89 5 - 5.0-15.0 HG3 LYS 26 - HE3 LYS 36 far 4 88 5 - 4.4-24.9 HG2 LYS 24 - HE2 LYS 36 far 4 86 5 - 4.2-26.3 QB ALA 15 - HE3 LYS 24 far 4 86 5 - 2.0-19.1 QB ALA 110 - HE3 LYS 26 far 4 86 5 - 4.0-28.9 QB ALA 15 - HE3 LYS 31 far 4 86 5 - 4.6-22.3 QB ALA 110 - HE2 LYS 26 far 4 86 5 - 4.9-30.1 QB ALA 28 - HE3 LYS 24 far 4 84 5 - 5.3-13.7 HG3 LYS 26 - HE2 LYS 36 far 4 83 5 - 4.6-24.5 HG3 LYS 95 - HE3 LYS 24 far 4 80 5 - 4.2-36.6 HG3 LYS 26 - HE2 LYS 24 far 4 79 5 - 5.0-12.3 QB ALA 15 - HE2 LYS 24 far 4 77 5 - 2.0-19.1 QB ALA 21 - HE3 LYS 19 far 4 76 5 - 5.2-9.3 HG2 LYS 95 - HE3 LYS 24 far 4 75 5 - 4.3-36.3 QB ALA 109 - HE3 LYS 19 far 4 73 5 - 4.7-41.8 QB ALA 109 - HE3 LYS 26 far 4 72 5 - 5.3-26.1 HG3 LYS 95 - HE2 LYS 24 far 4 71 5 - 5.2-35.1 QB ALA 109 - HE2 LYS 19 far 3 69 5 - 5.1-43.2 HG3 LYS 31 - HE3 LYS 24 far 3 67 5 - 5.2-18.7 QB ALA 28 - HE2 LYS 31 lone 3 85 25 15 4.7-10.1 ~10771=11, 6334/7.1=2 HG3 LYS 31 - HE2 LYS 36 far 3 63 5 - 4.3-14.3 HG3 LYS 31 - HE2 LYS 24 far 3 59 5 - 4.1-18.0 QB ALA 28 - HE3 LYS 26 far 0 84 0 - 5.4-9.7 HG2 LYS 24 - HE3 LYS 26 far 0 91 0 - 5.4-12.1 HG3 LYS 26 - HE3 LYS 24 far 0 88 0 - 5.5-12.7 QB ALA 46 - HE3 LYS 36 far 0 75 0 - 5.5-13.5 QB ALA 29 - HE2 LYS 24 far 0 81 0 - 5.6-13.5 HG2 LYS 24 - HE3 LYS 36 far 0 91 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 66 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 85 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 88 0 - 5.8-14.5 QB ALA 108 - HE3 LYS 26 far 0 82 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 91 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 84 0 - 5.9-10.2 QB ALA 21 - HE3 LYS 36 far 0 75 0 - 6.0-25.4 QB ALA 108 - HE2 LYS 24 far 0 73 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 100 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 88 0 - 6.0-12.2 QB ALA 46 - HE2 LYS 36 far 0 70 0 - 6.1-12.2 QB ALA 21 - HE3 LYS 31 far 0 75 0 - 6.2-19.6 QB ALA 12 - HE2 LYS 24 far 0 93 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 82 0 - 6.2-33.6 QB ALA 21 - HE2 LYS 19 far 0 72 0 - 6.2-9.5 QB ALA 29 - HE3 LYS 24 far 0 89 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 81 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 68 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 82 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 79 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 72 0 - 6.6-27.0 QB ALA 21 - HE2 LYS 36 far 0 70 0 - 6.7-24.7 HG3 LYS 31 - HE2 LYS 19 far 0 64 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 91 0 - 6.8-19.4 QB ALA 21 - HE2 LYS 31 far 0 76 0 - 6.8-19.4 QB ALA 28 - HE2 LYS 19 far 0 81 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 82 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 84 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 83 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 99 0 - 7.1-22.7 QB ALA 21 - HE2 LYS 26 far 0 75 0 - 7.1-15.9 QB ALA 108 - HE2 LYS 19 far 0 78 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 83 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 86 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 64 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 92 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 81 0 - 7.5-24.9 QB ALA 21 - HE3 LYS 26 far 0 75 0 - 7.8-15.0 QB ALA 46 - HE2 LYS 26 far 0 75 0 - 7.9-21.0 HG2 LYS 36 - HE3 LYS 24 far 0 89 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 87 0 - 8.2-44.5 QB ALA 46 - HE3 LYS 26 far 0 75 0 - 8.3-21.1 HG2 LYS 19 - HE3 LYS 36 far 0 100 0 - 8.5-33.7 QB ALA 46 - HE2 LYS 31 far 0 76 0 - 8.5-18.3 QB ALA 29 - HE3 LYS 19 far 0 90 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 92 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 72 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 86 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 86 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 86 0 - 8.9-36.8 QB ALA 46 - HE3 LYS 19 far 0 76 0 - 8.9-32.2 QB ALA 109 - HE3 LYS 31 far 0 72 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 83 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 93 0 - 9.0-18.7 QB ALA 46 - HE3 LYS 24 far 0 75 0 - 9.1-23.5 HG2 LYS 36 - HE3 LYS 19 far 0 90 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 86 0 - 9.3-29.0 QB ALA 46 - HE2 LYS 24 far 0 66 0 - 9.4-23.2 QB ALA 29 - HE2 LYS 19 far 0 86 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 73 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 92 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 99 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 96 0 - 9.8-25.9 QB ALA 110 - HE2 LYS 24 far 0 77 0 - 9.9-37.5 QB ALA 46 - HE3 LYS 31 far 0 75 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 330 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 3.92 A): 17 out of 67 assignments used, quality = 1.00: * HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-4.1 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-4.0 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 98 100 100 98 2.2-4.2 4.0=96, 484/6.4=23...(17) HG2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.0-4.0 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 92 94 100 98 2.0-3.9 4.0=96, 484/6.4=23...(18) HG3 LYS 36 + HE3 LYS 36 OK 74 75 100 98 2.2-3.5 4.0=94, 3.0/1064=22...(19) HG2 LYS 86 + HE3 LYS 86 OK 73 73 100 100 2.0-2.9 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 69 70 100 98 2.0-4.1 4.0=94, 3.0/1064=22...(19) HG13 ILE 32 + HE3 LYS 36 OK 36 99 40 91 3.2-9.5 3.2/10757=17...(61) HG13 ILE 32 + HE2 LYS 36 OK 35 96 40 91 2.8-9.0 3.2/10721=15...(60) HG13 ILE 32 + HE2 LYS 31 OK 31 100 45 69 2.3-9.1 2.1/10804=10...(24) HG13 ILE 32 + HE3 LYS 26 OK 29 99 40 72 2.0-17.3 3.2/10721=9, 2.1/10804=8...(25) HG13 ILE 32 + HE3 LYS 31 OK 28 99 40 71 2.0-9.6 10757/6.5=9, 2.1/10804=8...(24) HG13 ILE 32 + HE2 LYS 26 OK 25 99 35 72 2.1-17.7 3.2/10721=9, 2.1/9008=8...(25) HG3 LYS 19 - HE2 LYS 24 poor 19 94 20 - 3.4-18.5 HG3 LYS 36 - HE3 LYS 26 poor 19 75 25 - 4.4-26.9 HG3 LYS 19 - HE3 LYS 24 far 15 100 15 - 4.8-19.1 HG3 LYS 24 - HE2 LYS 19 far 15 98 15 - 3.7-17.8 HG3 LYS 24 - HE3 LYS 19 poor 11 100 25 42 4.5-18.1 823/5.1=2, 526/5.1=2...(4) HG2 LYS 31 - HE2 LYS 26 far 10 100 10 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 far 10 100 10 - 5.3-19.4 HG2 LYS 26 - HE3 LYS 36 far 10 96 10 - 3.8-24.9 HG2 LYS 26 - HE2 LYS 36 far 9 92 10 - 4.1-24.5 HG3 LYS 36 - HE2 LYS 26 far 7 75 10 - 4.5-27.4 QB ALA 34 - HE2 LYS 36 far 7 65 10 - 5.1-8.4 HG2 LYS 31 - HE3 LYS 24 far 5 100 5 - 4.0-19.0 HG3 LYS 24 - HE3 LYS 36 far 5 100 5 - 4.8-25.5 HG2 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.4-14.2 HG3 LYS 24 - HE2 LYS 36 far 5 97 5 - 3.2-24.6 HG2 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.9-14.4 HG2 LYS 26 - HE2 LYS 31 far 5 97 5 - 5.4-15.0 HG2 LYS 31 - HE2 LYS 24 far 5 94 5 - 3.3-18.4 HG3 LYS 36 - HE2 LYS 31 far 4 76 5 - 4.4-14.3 HG3 LYS 36 - HE3 LYS 31 far 4 75 5 - 3.7-15.5 QB ALA 34 - HE3 LYS 36 far 3 70 5 - 5.3-9.2 HG3 LYS 36 - HE2 LYS 24 far 3 66 5 - 4.6-28.4 QB ALA 34 - HE2 LYS 26 far 0 70 0 - 5.7-20.7 HG2 LYS 26 - HE2 LYS 24 far 0 88 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 96 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 96 0 - 6.0-14.4 QB ALA 34 - HE3 LYS 24 far 0 70 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 70 0 - 6.1-21.1 HG3 LYS 36 - HE3 LYS 24 far 0 75 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 100 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 62 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.7-12.9 QB ALA 34 - HE2 LYS 31 far 0 71 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 70 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 93 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 100 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 100 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 97 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 91 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 99 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 72 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 92 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 331 from cnoeabs.peaks (1.65, 2.96, 41.80 ppm; 3.46 A): 22 out of 129 assignments used, quality = 1.00: HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 * HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.4-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 88 88 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 36 poor 19 97 20 - 3.8-24.9 HD3 LYS 19 - HE2 LYS 24 poor 19 94 20 - 2.7-18.2 HD2 LYS 36 - HE3 LYS 26 poor 16 80 20 - 2.5-24.7 HD3 LYS 19 - HE3 LYS 24 far 15 100 15 - 2.2-19.0 HD2 LYS 26 - HE3 LYS 36 far 14 96 15 - 3.3-25.8 HD2 LYS 19 - HE2 LYS 24 far 14 94 15 - 2.6-17.0 HD3 LYS 26 - HE2 LYS 36 far 14 94 15 - 2.9-24.6 HD2 LYS 19 - HE3 LYS 24 far 10 100 10 - 2.9-18.4 HD2 LYS 24 - HE3 LYS 19 far 10 96 10 - 3.9-18.3 HD3 LYS 24 - HE2 LYS 19 far 9 93 10 - 4.2-18.5 HD2 LYS 26 - HE2 LYS 36 far 9 92 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 8 81 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 8 81 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 26 far 8 80 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 8 80 10 - 3.6-25.8 HG3 ARG 23 - HE2 LYS 26 far 7 75 10 - 3.4-15.6 HD3 LYS 26 - HE2 LYS 31 far 5 98 5 - 4.2-14.6 HD3 LYS 26 - HE3 LYS 31 far 5 97 5 - 4.6-14.9 HD2 LYS 26 - HE2 LYS 31 far 5 97 5 - 3.3-15.6 HD3 LYS 24 - HE3 LYS 19 far 5 97 5 - 3.7-17.8 HD3 LYS 31 - HE3 LYS 26 far 5 96 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 96 5 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 5 96 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 90 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 4 88 5 - 4.7-18.8 HD2 LYS 36 - HE3 LYS 31 far 4 80 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 4 80 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 4 80 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 0 96 0 - 5.0-18.2 HG3 ARG 23 - HE3 LYS 31 far 0 75 0 - 5.1-21.5 HG3 ARG 23 - HE3 LYS 36 far 0 75 0 - 5.1-25.4 HG3 ARG 23 - HE3 LYS 26 far 0 75 0 - 5.1-16.8 HG3 ARG 23 - HE2 LYS 36 far 0 70 0 - 5.2-24.9 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 90 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 92 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 97 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 77 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 5.7-13.3 HG3 ARG 23 - HE2 LYS 31 far 0 76 0 - 5.8-20.4 HG3 ARG 23 - HE3 LYS 19 far 0 76 0 - 5.8-14.9 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 71 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 82 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 95 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 89 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 94 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 100 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 88 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 95 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 71 0 - 7.0-26.2 HG3 ARG 23 - HE2 LYS 19 far 0 72 0 - 7.1-15.8 QB ALA 88 - HE3 LYS 86 far 0 93 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 90 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 96 0 - 7.4-26.2 HG3 ARG 23 - HE2 LYS 24 far 0 66 0 - 7.5-11.5 HG2 ARG 84 - HE3 LYS 86 far 0 93 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 80 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 93 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.6-12.5 HG3 ARG 23 - HE3 LYS 24 far 0 75 0 - 7.7-11.7 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 100 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 97 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 100 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 93 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 93 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 96 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 59 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 82 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 80 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 96 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 59 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 100 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 92 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 83 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 100 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 99 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 82 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 52 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 55 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 100 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 99 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 332 from cnoeabs.peaks (1.65, 2.96, 41.80 ppm; 3.46 A): 22 out of 129 assignments used, quality = 1.00: * HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.4-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 88 88 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 75 75 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 36 poor 19 97 20 - 3.8-24.9 HD3 LYS 19 - HE2 LYS 24 poor 19 94 20 - 2.7-18.2 HD2 LYS 36 - HE3 LYS 26 poor 16 80 20 - 2.5-24.7 HD3 LYS 19 - HE3 LYS 24 far 15 100 15 - 2.2-19.0 HD2 LYS 26 - HE3 LYS 36 far 14 96 15 - 3.3-25.8 HD2 LYS 19 - HE2 LYS 24 far 14 94 15 - 2.6-17.0 HD3 LYS 26 - HE2 LYS 36 far 14 94 15 - 2.9-24.6 HD2 LYS 19 - HE3 LYS 24 far 10 100 10 - 2.9-18.4 HD2 LYS 24 - HE3 LYS 19 far 10 96 10 - 3.9-18.3 HD3 LYS 24 - HE2 LYS 19 far 9 93 10 - 4.2-18.5 HD2 LYS 26 - HE2 LYS 36 far 9 92 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 8 81 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 8 81 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 26 far 8 80 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 8 80 10 - 3.6-25.8 HG3 ARG 23 - HE2 LYS 26 far 7 75 10 - 3.4-15.6 HD3 LYS 26 - HE2 LYS 31 far 5 98 5 - 4.2-14.6 HD3 LYS 26 - HE3 LYS 31 far 5 97 5 - 4.6-14.9 HD2 LYS 26 - HE2 LYS 31 far 5 97 5 - 3.3-15.6 HD3 LYS 24 - HE3 LYS 19 far 5 97 5 - 3.7-17.8 HD3 LYS 31 - HE3 LYS 26 far 5 96 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 96 5 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 5 96 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 90 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 4 88 5 - 4.7-18.8 HD2 LYS 36 - HE3 LYS 31 far 4 80 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 4 80 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 4 80 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 0 96 0 - 5.0-18.2 HG3 ARG 23 - HE3 LYS 31 far 0 75 0 - 5.1-21.5 HG3 ARG 23 - HE3 LYS 36 far 0 75 0 - 5.1-25.4 HG3 ARG 23 - HE3 LYS 26 far 0 75 0 - 5.1-16.8 HG3 ARG 23 - HE2 LYS 36 far 0 70 0 - 5.2-24.9 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 90 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 92 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 96 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 97 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 95 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 77 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 5.7-13.3 HG3 ARG 23 - HE2 LYS 31 far 0 76 0 - 5.8-20.4 HG3 ARG 23 - HE3 LYS 19 far 0 76 0 - 5.8-14.9 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 71 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 82 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 95 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 89 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 94 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 100 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 88 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 95 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 71 0 - 7.0-26.2 HG3 ARG 23 - HE2 LYS 19 far 0 72 0 - 7.1-15.8 QB ALA 88 - HE3 LYS 86 far 0 93 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 90 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 96 0 - 7.4-26.2 HG3 ARG 23 - HE2 LYS 24 far 0 66 0 - 7.5-11.5 HG2 ARG 84 - HE3 LYS 86 far 0 93 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 80 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 93 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.6-12.5 HG3 ARG 23 - HE3 LYS 24 far 0 75 0 - 7.7-11.7 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 100 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 97 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 100 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 93 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 93 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 96 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 59 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 82 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 80 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 96 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 59 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 100 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 92 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 83 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 100 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 99 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 82 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 52 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 55 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 100 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 99 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 333 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 99 99 - 100 HE3 LYS 19 + HE3 LYS 19 OK 99 99 - 100 HE3 LYS 86 + HE3 LYS 86 OK 99 99 - 100 HE2 LYS 19 + HE2 LYS 19 OK 98 98 - 100 HE3 LYS 31 + HE3 LYS 31 OK 97 97 - 100 HE2 LYS 26 + HE2 LYS 26 OK 97 97 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE2 LYS 36 + HE2 LYS 36 OK 97 97 - 100 HE2 LYS 24 + HE2 LYS 24 OK 94 94 - 100 Reference assignment not found: HE2 LYS 19 - HE3 LYS 19 Peak 334 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 * HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 98 98 - 100 HE2 LYS 19 + HE2 LYS 19 OK 97 97 - 100 HE2 LYS 36 + HE2 LYS 36 OK 95 95 - 100 HE2 LYS 24 + HE2 LYS 24 OK 90 90 - 100 Peak 336 from cnoeabs.peaks (8.06, 3.99, 62.40 ppm; 3.97 A): 2 out of 15 assignments used, quality = 1.00: * H VAL 20 + HA VAL 20 OK 100 100 100 100 2.7-2.9 3.0=100 H CYS 125 + HB2 SER 124 OK 70 72 100 98 2.5-4.1 4.5=68, 3.4/7769=60...(14) H LEU 48 - HB3 SER 51 poor 12 58 20 - 5.3-6.1 H VAL 20 - HB3 SER 51 far 4 74 5 - 4.3-34.6 H ASN 120 - HB2 SER 124 far 0 83 0 - 6.3-8.3 H LEU 48 - HA SER 50 far 0 78 0 - 6.6-6.8 H LEU 48 - HA VAL 20 far 0 87 0 - 6.6-31.4 H ALA 108 - HA VAL 20 far 0 87 0 - 6.7-43.5 H CYS 125 - HA SER 50 far 0 74 0 - 7.6-9.3 H SER 130 - HA SER 50 far 0 55 0 - 7.8-10.8 H ALA 109 - HA VAL 20 far 0 83 0 - 8.0-44.4 H ASN 120 - HA SER 50 far 0 85 0 - 8.3-13.2 H VAL 20 - HA SER 50 far 0 95 0 - 9.1-33.8 H SER 130 - HB2 SER 124 far 0 53 0 - 9.4-10.5 H CYS 125 - HB3 SER 94 far 0 29 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 337 from cnoeabs.peaks (3.99, 3.99, 62.40 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HA VAL 20 + HA VAL 20 OK 100 100 - 100 HA SER 50 + HA SER 50 OK 93 93 - 100 HB2 SER 124 + HB2 SER 124 OK 92 92 - 100 HB3 SER 51 + HB3 SER 51 OK 70 70 - 100 HB3 SER 94 + HB3 SER 94 OK 31 31 - 100 Peak 338 from cnoeabs.peaks (2.00, 3.99, 62.40 ppm; 4.04 A): 2 out of 21 assignments used, quality = 1.00: * HB VAL 20 + HA VAL 20 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 53 + HA SER 50 OK 87 92 100 95 2.5-4.3 1.8/1644=49, 1653=42...(18) HB2 GLU 55 - HA VAL 20 far 5 97 5 - 5.5-35.6 HB2 GLU 91 - HB3 SER 94 far 4 39 10 - 5.4-6.9 HG2 PRO 58 - HA VAL 20 far 4 71 5 - 5.4-32.8 HG2 ARG 90 - HB3 SER 94 far 1 27 5 - 5.4-8.6 HB VAL 20 - HB3 SER 51 far 0 74 0 - 5.7-32.0 HB3 LEU 53 - HB2 SER 124 far 0 90 0 - 5.8-12.1 HB2 GLU 55 - HB3 SER 51 far 0 68 0 - 6.0-9.6 HB3 MET 11 - HA VAL 20 far 0 81 0 - 6.3-22.6 HB3 GLU 30 - HA VAL 20 far 0 87 0 - 6.4-20.7 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.4-7.8 HB2 GLU 55 - HA SER 50 far 0 89 0 - 7.7-10.6 HG2 PRO 56 - HA VAL 20 far 0 99 0 - 8.3-37.8 HB ILE 129 - HB2 SER 124 far 0 93 0 - 8.6-10.8 HB3 PRO 117 - HB2 SER 124 far 0 91 0 - 8.6-11.0 HB ILE 129 - HA SER 50 far 0 95 0 - 8.9-11.8 HG3 PRO 56 - HA VAL 20 far 0 99 0 - 9.0-38.8 HB VAL 20 - HA SER 50 far 0 95 0 - 9.2-32.6 HB3 GLU 30 - HB3 SER 94 far 0 31 0 - 9.5-28.5 HB ILE 129 - HB3 SER 94 far 0 41 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 339 from cnoeabs.peaks (0.91, 3.99, 62.40 ppm; 3.38 A): 5 out of 35 assignments used, quality = 1.00: * QG1 VAL 20 + HA VAL 20 OK 100 100 100 100 2.4-3.2 3.2=100 QD1 LEU 49 + HA SER 50 OK 91 94 100 97 2.0-2.8 2.1/9218=22, 1581/4.8=21...(44) QG2 VAL 20 + HA VAL 20 OK 90 90 100 100 2.0-2.3 3.2=100 QD1 LEU 123 + HA SER 50 OK 68 74 100 91 1.7-3.9 11874=51, 2.1/11636=36...(30) QD2 LEU 123 + HA SER 50 OK 61 67 100 90 1.7-4.8 2.1/11874=49, 11636=33...(30) QD1 LEU 22 - HA VAL 20 poor 16 95 25 66 3.6-7.1 2.1/10690=38...(10) QD1 LEU 123 - HB2 SER 124 poor 14 72 20 - 3.3-7.0 QD1 LEU 48 - HB3 SER 51 poor 13 61 35 60 4.3-6.0 4.0/1493=22...(10) QD2 LEU 48 - HB3 SER 51 far 7 74 10 - 4.2-6.6 QD1 LEU 48 - HA VAL 20 far 5 90 5 - 3.6-25.7 QG1 VAL 20 - HB3 SER 51 far 4 74 5 - 3.1-27.1 QG2 VAL 20 - HB3 SER 51 far 0 61 0 - 5.2-27.5 QD2 LEU 48 - HA VAL 20 far 0 100 0 - 5.2-24.1 QD1 LEU 48 - HA SER 50 far 0 82 0 - 5.7-7.9 QD2 LEU 123 - HB2 SER 124 far 0 65 0 - 5.8-7.0 QD1 LEU 49 - HB3 SER 51 far 0 73 0 - 5.9-6.7 QD2 LEU 48 - HA SER 50 far 0 95 0 - 5.9-7.4 QG2 ILE 37 - HA VAL 20 far 0 63 0 - 6.0-24.4 QG1 VAL 20 - HA SER 50 far 0 95 0 - 6.1-28.6 QD1 LEU 123 - HB3 SER 51 far 0 54 0 - 6.1-8.3 QD1 LEU 49 - HB2 SER 124 far 0 92 0 - 6.1-9.1 QD2 LEU 123 - HB3 SER 51 far 0 49 0 - 6.2-8.6 QD1 LEU 62 - HA SER 50 far 0 93 0 - 6.4-9.7 QD1 LEU 62 - HB2 SER 124 far 0 91 0 - 7.0-12.4 QG1 VAL 118 - HA SER 50 far 0 92 0 - 7.1-12.5 QG1 VAL 118 - HB2 SER 124 far 0 90 0 - 7.2-8.5 QG1 VAL 118 - HB3 SER 94 far 0 39 0 - 7.7-12.2 QG2 VAL 20 - HA SER 50 far 0 82 0 - 7.7-26.4 QD1 LEU 22 - HB3 SER 51 far 0 65 0 - 7.8-28.0 QD1 LEU 62 - HB3 SER 51 far 0 72 0 - 8.2-12.7 QG2 VAL 112 - HA VAL 20 far 0 90 0 - 8.2-38.4 QD1 LEU 49 - HA VAL 20 far 0 100 0 - 9.0-25.3 QG1 VAL 118 - HA VAL 20 far 0 99 0 - 9.6-30.5 QG2 ILE 37 - HA SER 50 far 0 55 0 - 9.6-16.6 QG2 VAL 63 - HA SER 50 far 0 94 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 340 from cnoeabs.peaks (0.89, 3.99, 62.40 ppm; 3.51 A): 5 out of 38 assignments used, quality = 1.00: * QG2 VAL 20 + HA VAL 20 OK 100 100 100 100 2.0-2.3 3.2=100 QG1 VAL 20 + HA VAL 20 OK 90 90 100 100 2.4-3.2 3.2=100 QD2 LEU 123 + HA SER 50 OK 89 92 100 96 1.7-4.8 11636=55, 2.1/11874=52...(32) QD1 LEU 49 + HA SER 50 OK 69 72 100 96 2.0-2.8 2.1/9218=24, 1581/4.8=17...(44) QD1 LEU 22 + HA VAL 20 OK 21 100 30 71 3.6-7.1 2.1/10690=41...(14) QD2 LEU 98 - HB3 SER 94 poor 13 33 40 - 4.3-6.3 QD2 LEU 48 - HB3 SER 51 poor 12 59 20 - 4.2-6.6 QG1 VAL 20 - HB3 SER 51 far 3 61 5 - 3.1-27.1 QD2 LEU 69 - HA SER 50 far 0 70 0 - 5.1-9.2 QG2 VAL 20 - HB3 SER 51 far 0 74 0 - 5.2-27.5 QD2 LEU 48 - HA VAL 20 far 0 89 0 - 5.2-24.1 QD2 LEU 123 - HB2 SER 124 far 0 91 0 - 5.8-7.0 QD1 LEU 49 - HB3 SER 51 far 0 52 0 - 5.9-6.7 QD2 LEU 48 - HA SER 50 far 0 80 0 - 5.9-7.4 QG1 VAL 20 - HA SER 50 far 0 82 0 - 6.1-28.6 QD1 LEU 49 - HB2 SER 124 far 0 70 0 - 6.1-9.1 QD2 LEU 123 - HB3 SER 51 far 0 71 0 - 6.2-8.6 QD1 LEU 62 - HA SER 50 far 0 70 0 - 6.4-9.7 QG2 VAL 57 - HB3 SER 51 far 0 37 0 - 6.7-8.8 QG2 VAL 57 - HA SER 50 far 0 52 0 - 6.9-7.9 QD1 LEU 62 - HB2 SER 124 far 0 68 0 - 7.0-12.4 QG1 VAL 118 - HA SER 50 far 0 92 0 - 7.1-12.5 QG1 VAL 118 - HB2 SER 124 far 0 90 0 - 7.2-8.5 QD2 LEU 98 - HB2 SER 124 far 0 81 0 - 7.6-12.3 QG1 VAL 118 - HB3 SER 94 far 0 39 0 - 7.7-12.2 QG2 VAL 20 - HA SER 50 far 0 95 0 - 7.7-26.4 QD1 LEU 22 - HB3 SER 51 far 0 73 0 - 7.8-28.0 QD2 LEU 69 - HB3 SER 51 far 0 51 0 - 7.8-11.4 QG2 VAL 57 - HA VAL 20 far 0 60 0 - 8.1-27.6 QD1 LEU 62 - HB3 SER 51 far 0 51 0 - 8.2-12.7 QD2 LEU 69 - HB2 SER 124 far 0 68 0 - 8.4-12.4 QD1 LEU 98 - HB2 SER 124 far 0 51 0 - 8.6-12.1 QD1 LEU 49 - HA VAL 20 far 0 81 0 - 9.0-25.3 QG2 VAL 57 - HB2 SER 124 far 0 51 0 - 9.2-14.3 QD1 LEU 98 - HA VAL 20 far 0 60 0 - 9.3-35.5 QG1 VAL 118 - HA VAL 20 far 0 99 0 - 9.6-30.5 QD2 LEU 69 - HB3 SER 94 far 0 26 0 - 9.6-13.6 QG2 VAL 63 - HA SER 50 far 0 76 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 341 from cnoeabs.peaks (8.31, 3.99, 62.40 ppm; 2.94 A): 1 out of 19 assignments used, quality = 1.00: * H ALA 21 + HA VAL 20 OK 100 100 100 100 3.1-3.6 6176=100, 6173/3.0=44...(13) H ALA 28 - HA VAL 20 far 4 85 5 - 3.7-18.4 H GLY 17 - HB3 SER 51 far 3 66 5 - 3.6-35.2 H GLY 17 - HA VAL 20 far 0 96 0 - 4.7-10.6 H LEU 49 - HA SER 50 far 0 94 0 - 5.0-5.4 H VAL 126 - HB2 SER 124 far 0 78 0 - 5.1-6.5 H ALA 110 - HA VAL 20 far 0 99 0 - 5.2-47.7 H LEU 49 - HB3 SER 51 far 0 73 0 - 5.4-6.2 H GLY 111 - HA VAL 20 far 0 100 0 - 6.4-45.4 H ALA 28 - HB3 SER 94 far 0 30 0 - 6.6-28.7 H ALA 21 - HB3 SER 51 far 0 74 0 - 6.6-33.2 H LEU 49 - HA VAL 20 far 0 100 0 - 7.0-30.1 H VAL 126 - HA SER 50 far 0 80 0 - 7.2-8.9 H GLY 17 - HA SER 50 far 0 88 0 - 7.4-36.8 H SER 99 - HB3 SER 94 far 0 32 0 - 7.6-9.1 H ALA 28 - HB3 SER 51 far 0 56 0 - 7.8-27.4 H SER 99 - HB2 SER 124 far 0 80 0 - 9.1-11.0 H VAL 126 - HB3 SER 94 far 0 32 0 - 9.4-10.9 H LEU 69 - HA SER 50 far 0 91 0 - 9.5-12.5 Violated in 20 structures by 0.39 A. Peak 342 from cnoeabs.peaks (8.06, 2.00, 32.56 ppm; 3.17 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 20 + HB VAL 20 OK 100 100 100 100 2.3-3.6 6170=100, 348/2.1=61...(6) H ALA 108 - HB VAL 20 far 0 87 0 - 4.8-44.6 H ALA 109 - HB VAL 20 far 0 83 0 - 6.2-45.6 H LEU 48 - HB VAL 20 far 0 87 0 - 7.3-30.0 H LEU 103 - HB VAL 20 far 0 85 0 - 8.8-38.9 Violated in 4 structures by 0.06 A. Peak 343 from cnoeabs.peaks (3.99, 2.00, 32.56 ppm; 3.48 A): 2 out of 12 assignments used, quality = 1.00: * HA VAL 20 + HB VAL 20 OK 100 100 100 100 2.4-3.0 3.0=100 HA2 GLY 17 + HB VAL 20 OK 27 60 70 63 3.3-10.2 4.7/10683=28, 349/2.1=13...(9) HA3 GLY 17 - HB VAL 20 poor 12 60 20 - 3.0-10.5 HB3 SER 106 - HB VAL 20 far 5 96 5 - 3.3-45.2 HB2 SER 106 - HB VAL 20 far 4 73 5 - 3.4-45.0 HA ILE 37 - HB VAL 20 far 0 57 0 - 5.7-29.3 HB3 SER 51 - HB VAL 20 far 0 98 0 - 5.7-32.0 HB2 SER 38 - HB VAL 20 far 0 73 0 - 6.5-31.8 HA THR 65 - HB VAL 20 far 0 83 0 - 7.4-26.7 HA LEU 103 - HB VAL 20 far 0 68 0 - 8.6-40.5 HA SER 50 - HB VAL 20 far 0 99 0 - 9.2-32.6 HA GLN 68 - HB VAL 20 far 0 100 0 - 9.4-26.6 Violated in 0 structures by 0.00 A. Peak 344 from cnoeabs.peaks (2.00, 2.00, 32.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 20 + HB VAL 20 OK 100 100 - 100 Peak 345 from cnoeabs.peaks (0.91, 2.00, 32.56 ppm; 2.76 A): 2 out of 11 assignments used, quality = 1.00: * QG1 VAL 20 + HB VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 20 + HB VAL 20 OK 90 90 100 100 2.1-2.1 2.1=100 QG2 ILE 37 - HB VAL 20 far 3 63 5 - 3.6-26.3 QD1 LEU 22 - HB VAL 20 far 0 95 0 - 4.7-7.9 QD1 LEU 48 - HB VAL 20 far 0 90 0 - 4.9-24.8 QD2 LEU 48 - HB VAL 20 far 0 100 0 - 6.4-23.0 QG2 VAL 112 - HB VAL 20 far 0 90 0 - 8.0-39.7 QD1 LEU 49 - HB VAL 20 far 0 100 0 - 8.3-25.8 QD1 LEU 62 - HB VAL 20 far 0 99 0 - 8.6-30.1 QG1 VAL 118 - HB VAL 20 far 0 99 0 - 8.9-31.5 QD2 LEU 123 - HB VAL 20 far 0 76 0 - 9.1-27.7 Violated in 0 structures by 0.00 A. Peak 346 from cnoeabs.peaks (0.89, 2.00, 32.56 ppm; 3.17 A): 2 out of 11 assignments used, quality = 1.00: * QG2 VAL 20 + HB VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 20 + HB VAL 20 OK 90 90 100 100 2.1-2.1 2.1=100 QD1 LEU 22 - HB VAL 20 far 0 100 0 - 4.7-7.9 QG2 VAL 57 - HB VAL 20 far 0 60 0 - 5.7-29.1 QD2 LEU 48 - HB VAL 20 far 0 89 0 - 6.4-23.0 QD1 LEU 49 - HB VAL 20 far 0 81 0 - 8.3-25.8 QD1 LEU 62 - HB VAL 20 far 0 78 0 - 8.6-30.1 QG1 VAL 118 - HB VAL 20 far 0 99 0 - 8.9-31.5 QD2 LEU 123 - HB VAL 20 far 0 99 0 - 9.1-27.7 QD1 LEU 98 - HB VAL 20 far 0 60 0 - 9.4-35.9 QD2 LEU 98 - HB VAL 20 far 0 92 0 - 10.0-33.6 Violated in 0 structures by 0.00 A. Peak 347 from cnoeabs.peaks (8.31, 2.00, 32.56 ppm; 3.69 A): 1 out of 7 assignments used, quality = 1.00: * H ALA 21 + HB VAL 20 OK 100 100 100 100 1.9-4.1 6177=100, 6176/3.0=74...(11) H GLY 17 - HB VAL 20 far 14 96 15 - 3.8-10.0 H ALA 28 - HB VAL 20 far 0 85 0 - 6.4-17.9 H LEU 49 - HB VAL 20 far 0 100 0 - 6.8-28.5 H ALA 110 - HB VAL 20 far 0 99 0 - 6.9-49.0 H GLY 111 - HB VAL 20 far 0 100 0 - 7.0-46.8 H GLU 40 - HB VAL 20 far 0 65 0 - 9.1-33.6 Violated in 11 structures by 0.12 A. Peak 348 from cnoeabs.peaks (8.06, 0.91, 20.62 ppm; 3.25 A): 1 out of 5 assignments used, quality = 0.99: * H VAL 20 + QG1 VAL 20 OK 99 100 100 99 1.7-2.5 6170/2.1=75, 6171=53...(14) H LEU 48 - QG1 VAL 20 far 4 87 5 - 4.1-25.4 H ALA 108 - QG1 VAL 20 far 0 87 0 - 5.9-38.5 H ALA 109 - QG1 VAL 20 far 0 83 0 - 6.8-39.3 H LEU 103 - QG1 VAL 20 far 0 85 0 - 9.1-33.7 Violated in 0 structures by 0.00 A. Peak 349 from cnoeabs.peaks (3.99, 0.91, 20.62 ppm; 3.20 A): 2 out of 13 assignments used, quality = 1.00: * HA VAL 20 + QG1 VAL 20 OK 100 100 100 100 2.4-3.2 3.2=100 HA2 GLY 17 + QG1 VAL 20 OK 25 60 85 50 2.0-7.6 1.8/10680=12, 343/2.1=12...(11) HA3 GLY 17 - QG1 VAL 20 poor 19 60 70 45 2.2-7.8 1.8/10680=12, 3.0/353=9...(11) HB3 SER 51 - QG1 VAL 20 far 5 98 5 - 3.1-27.1 HB3 SER 106 - QG1 VAL 20 far 5 96 5 - 3.8-38.8 HB2 SER 38 - QG1 VAL 20 far 4 73 5 - 3.7-27.8 HB2 SER 106 - QG1 VAL 20 far 4 73 5 - 4.5-38.8 HA ILE 37 - QG1 VAL 20 far 0 57 0 - 5.2-25.1 HA THR 65 - QG1 VAL 20 far 0 83 0 - 5.8-23.5 HA SER 50 - QG1 VAL 20 far 0 99 0 - 6.1-28.6 HA GLN 68 - QG1 VAL 20 far 0 100 0 - 8.5-23.5 HA LEU 103 - QG1 VAL 20 far 0 68 0 - 8.8-35.0 HA GLN 127 - QG1 VAL 20 far 0 81 0 - 9.9-28.5 Violated in 0 structures by 0.00 A. Peak 350 from cnoeabs.peaks (2.00, 0.91, 20.62 ppm; 2.67 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 20 + QG1 VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 55 - QG1 VAL 20 far 5 97 5 - 3.5-32.1 HB3 GLU 30 - QG1 VAL 20 far 4 87 5 - 3.9-19.1 HB3 MET 11 - QG1 VAL 20 far 4 81 5 - 2.6-16.6 HG2 PRO 56 - QG1 VAL 20 far 0 99 0 - 4.4-33.6 HG3 PRO 56 - QG1 VAL 20 far 0 99 0 - 5.4-35.0 HB3 PRO 56 - QG1 VAL 20 far 0 100 0 - 6.1-34.4 HB3 LEU 53 - QG1 VAL 20 far 0 99 0 - 6.5-29.7 HG2 PRO 58 - QG1 VAL 20 far 0 71 0 - 7.0-29.7 HB2 GLU 44 - QG1 VAL 20 far 0 78 0 - 7.7-26.4 Violated in 0 structures by 0.00 A. Peak 351 from cnoeabs.peaks (0.91, 0.91, 20.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 20 + QG1 VAL 20 OK 100 100 - 100 Peak 352 from cnoeabs.peaks (0.89, 0.91, 20.62 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: QG1 VAL 20 + QG1 VAL 20 OK 90 90 - 100 Reference assignment not found: QG2 VAL 20 - QG1 VAL 20 Peak 353 from cnoeabs.peaks (8.31, 0.91, 20.62 ppm; 3.70 A): 2 out of 10 assignments used, quality = 1.00: * H ALA 21 + QG1 VAL 20 OK 100 100 100 100 1.7-3.9 6177/2.1=71, 6176/3.2=71...(14) H GLY 17 + QG1 VAL 20 OK 26 96 65 42 2.1-7.6 3.0/10680=13...(8) H LEU 49 - QG1 VAL 20 far 5 100 5 - 3.9-24.4 H ALA 28 - QG1 VAL 20 far 4 85 5 - 4.7-16.1 H GLU 40 - QG1 VAL 20 far 0 65 0 - 6.0-28.3 H ALA 110 - QG1 VAL 20 far 0 99 0 - 7.2-42.0 H GLY 111 - QG1 VAL 20 far 0 100 0 - 7.4-40.1 H LEU 69 - QG1 VAL 20 far 0 98 0 - 8.2-24.3 H LEU 43 - QG1 VAL 20 far 0 83 0 - 8.8-26.6 H GLU 44 - QG1 VAL 20 far 0 71 0 - 9.1-26.2 Violated in 4 structures by 0.02 A. Peak 354 from cnoeabs.peaks (8.06, 0.89, 21.05 ppm; 3.93 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.1-3.8 6170/2.1=93, 4.0=93...(11) H ALA 108 - QG2 VAL 20 far 4 87 5 - 5.1-36.0 H LEU 48 - QG2 VAL 20 far 4 87 5 - 5.2-25.8 H ALA 109 - QG2 VAL 20 far 0 83 0 - 6.8-36.8 H LEU 103 - QG2 VAL 20 far 0 85 0 - 7.8-31.2 H TYR 76 - QG2 VAL 20 far 0 83 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 355 from cnoeabs.peaks (3.99, 0.89, 21.05 ppm; 3.41 A): 1 out of 13 assignments used, quality = 1.00: * HA VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.0-2.3 3.2=100 HA2 GLY 17 - QG2 VAL 20 poor 16 60 50 54 1.9-10.1 343/2.1=13, ~10680=9...(10) HA3 GLY 17 - QG2 VAL 20 far 9 60 15 - 3.3-10.1 HB3 SER 106 - QG2 VAL 20 far 5 96 5 - 3.9-36.2 HA THR 65 - QG2 VAL 20 far 4 83 5 - 4.4-21.0 HB2 SER 106 - QG2 VAL 20 far 4 73 5 - 4.3-36.2 HA ILE 37 - QG2 VAL 20 far 0 57 0 - 4.9-24.3 HB3 SER 51 - QG2 VAL 20 far 0 98 0 - 5.2-27.5 HB2 SER 38 - QG2 VAL 20 far 0 73 0 - 6.1-26.6 HA SER 50 - QG2 VAL 20 far 0 99 0 - 7.7-26.4 HA LEU 103 - QG2 VAL 20 far 0 68 0 - 8.2-32.5 HA GLN 68 - QG2 VAL 20 far 0 100 0 - 8.3-20.9 HA SER 60 - QG2 VAL 20 far 0 85 0 - 8.9-26.0 Violated in 0 structures by 0.00 A. Peak 356 from cnoeabs.peaks (2.00, 0.89, 21.05 ppm; 3.11 A): 1 out of 11 assignments used, quality = 1.00: * HB VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 MET 11 - QG2 VAL 20 far 8 81 10 - 3.7-18.6 HB2 GLU 55 - QG2 VAL 20 far 5 97 5 - 2.2-30.1 HB3 GLU 30 - QG2 VAL 20 far 4 87 5 - 4.5-16.6 HG2 PRO 56 - QG2 VAL 20 far 0 99 0 - 5.2-31.6 HG3 PRO 56 - QG2 VAL 20 far 0 99 0 - 5.9-32.9 HG2 PRO 58 - QG2 VAL 20 far 0 71 0 - 6.7-27.5 HB3 PRO 56 - QG2 VAL 20 far 0 100 0 - 7.0-32.3 HB3 LEU 53 - QG2 VAL 20 far 0 99 0 - 7.8-27.6 HB VAL 63 - QG2 VAL 20 far 0 83 0 - 8.6-26.2 HB2 GLU 44 - QG2 VAL 20 far 0 78 0 - 9.1-26.6 Violated in 0 structures by 0.00 A. Peak 357 from cnoeabs.peaks (0.91, 0.89, 21.05 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: QG2 VAL 20 + QG2 VAL 20 OK 90 90 - 100 Reference assignment not found: QG1 VAL 20 - QG2 VAL 20 Peak 358 from cnoeabs.peaks (0.89, 0.89, 21.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 20 + QG2 VAL 20 OK 100 100 - 100 Peak 359 from cnoeabs.peaks (8.31, 0.89, 21.05 ppm; 5.35 A): 2 out of 10 assignments used, quality = 1.00: * H ALA 21 + QG2 VAL 20 OK 100 100 100 100 3.3-4.5 4.3=100 H GLY 17 + QG2 VAL 20 OK 28 96 45 66 1.9-9.8 3.0/10668=24, ~10668=17...(6) H LEU 49 - QG2 VAL 20 far 5 100 5 - 4.5-23.9 H GLY 111 - QG2 VAL 20 far 5 100 5 - 6.3-37.6 H ALA 110 - QG2 VAL 20 far 5 99 5 - 4.9-39.6 H ALA 28 - QG2 VAL 20 far 4 85 5 - 4.1-13.8 H LEU 69 - QG2 VAL 20 far 0 98 0 - 7.4-21.8 H GLU 40 - QG2 VAL 20 far 0 65 0 - 8.5-27.9 H SER 99 - QG2 VAL 20 far 0 90 0 - 9.2-31.9 H TYR 72 - QG2 VAL 20 far 0 93 0 - 9.6-23.3 Violated in 0 structures by 0.00 A. Peak 360 from cnoeabs.peaks (8.31, 4.29, 52.41 ppm; 2.83 A): 6 out of 41 assignments used, quality = 1.00: * H ALA 21 + HA ALA 21 OK 97 100 100 97 2.3-2.9 3.0=88, 6181/2.1=59...(6) H ALA 110 + HA ALA 110 OK 68 71 100 95 2.3-2.9 3.0=88, 7573/2.1=31...(12) H GLY 111 + HA ALA 110 OK 60 72 100 83 2.5-3.6 7577=59, 7578/2.1=28...(15) H ALA 110 + HA ALA 109 OK 58 80 100 72 2.1-3.6 3.6=50, 7571/2.1=24...(12) H GLY 17 + HA ALA 16 OK 47 65 100 72 2.1-3.0 3.6=50, 6127/3.0=31...(5) H GLY 111 + HA ALA 109 OK 24 82 65 46 3.0-6.7 7578/2.1=14, 7577=13...(11) H GLY 17 - HA ALA 15 poor 15 91 40 40 3.3-7.0 6127/3.6=26, 6130=10...(5) H GLY 111 - HA ALA 16 far 4 72 5 - 4.2-50.4 H ALA 110 - HA ALA 108 far 2 49 5 - 4.3-7.0 H ALA 28 - HA ALA 21 far 0 85 0 - 4.4-17.1 H ALA 21 - HA ALA 108 far 0 51 0 - 4.8-46.4 H ALA 28 - HA ALA 108 far 0 38 0 - 4.9-29.2 H GLY 17 - HA ALA 110 far 0 66 0 - 4.9-53.9 H GLY 17 - HA ALA 12 far 0 93 0 - 4.9-13.6 H GLY 17 - HA ALA 21 far 0 96 0 - 5.2-12.1 H ALA 21 - HA ALA 15 far 0 97 0 - 5.5-12.4 H GLU 40 - HA ALA 21 far 0 65 0 - 5.7-35.3 H ALA 21 - HA ALA 110 far 0 74 0 - 5.7-49.8 H ALA 110 - HA ALA 16 far 0 70 0 - 6.1-52.5 H ALA 110 - HA ALA 21 far 0 99 0 - 6.1-47.9 H GLY 111 - HA ALA 21 far 0 100 0 - 6.2-45.7 H ALA 21 - HA ALA 16 far 0 73 0 - 6.4-12.5 H GLY 111 - HA ALA 108 far 0 50 0 - 6.4-9.8 H ALA 21 - HA ALA 109 far 0 83 0 - 6.6-48.5 H GLY 111 - HA ALA 15 far 0 96 0 - 6.7-53.5 H ALA 21 - HA ALA 12 far 0 99 0 - 6.9-17.4 H SER 99 - HA ALA 108 far 0 41 0 - 7.0-18.0 H SER 99 - HA ALA 110 far 0 61 0 - 7.4-22.6 H LEU 69 - HA ALA 21 far 0 98 0 - 7.5-26.2 H ALA 28 - HA ALA 15 far 0 79 0 - 7.8-24.9 H GLY 17 - HA ALA 109 far 0 75 0 - 8.1-52.6 H ALA 28 - HA ALA 109 far 0 64 0 - 8.4-31.1 H GLY 17 - HA ALA 108 far 0 46 0 - 8.5-50.0 H LEU 49 - HA ALA 21 far 0 100 0 - 8.5-29.5 H ALA 28 - HA ALA 12 far 0 82 0 - 8.5-25.8 H LEU 69 - HA ALA 108 far 0 48 0 - 8.8-19.6 H SER 99 - HA ALA 21 far 0 90 0 - 8.9-38.3 H SER 99 - HA ALA 109 far 0 69 0 - 9.0-18.7 H ALA 110 - HA ALA 15 far 0 95 0 - 9.6-55.6 H GLU 44 - HA ALA 16 far 0 44 0 - 9.8-35.2 H ALA 28 - HA ALA 110 far 0 56 0 - 10.0-32.3 Violated in 0 structures by 0.00 A. Peak 361 from cnoeabs.peaks (4.29, 4.29, 52.41 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 21 + HA ALA 21 OK 100 100 - 100 HA ALA 12 + HA ALA 12 OK 98 98 - 100 HA ALA 15 + HA ALA 15 OK 96 96 - 100 HA ALA 109 + HA ALA 109 OK 74 74 - 100 HA ALA 110 + HA ALA 110 OK 72 72 - 100 HA ALA 16 + HA ALA 16 OK 63 63 - 100 HA ALA 108 + HA ALA 108 OK 45 45 - 100 Peak 362 from cnoeabs.peaks (1.34, 4.29, 52.41 ppm; 2.50 A): 2 out of 20 assignments used, quality = 1.00: * QB ALA 21 + HA ALA 21 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 84 84 100 100 2.1-2.1 2.1=100 QB ALA 12 - HA ALA 16 far 9 57 15 - 2.9-10.8 QB ALA 12 - HA ALA 15 far 8 81 10 - 3.5-8.6 HG2 LYS 19 - HA ALA 15 far 7 70 10 - 2.8-13.4 QB ALA 12 - HA ALA 21 far 4 87 5 - 3.5-16.2 QB ALA 21 - HA ALA 109 far 4 83 5 - 2.9-40.6 QB ALA 21 - HA ALA 110 far 4 74 5 - 3.0-41.9 QB ALA 21 - HA ALA 108 far 3 51 5 - 3.4-38.8 HG2 LYS 19 - HA ALA 16 far 0 48 0 - 4.7-10.8 QB ALA 21 - HA ALA 16 far 0 73 0 - 4.9-12.4 QB ALA 21 - HA ALA 15 far 0 97 0 - 5.4-13.1 HG2 LYS 19 - HA ALA 12 far 0 73 0 - 5.5-18.1 QB ALA 21 - HA ALA 12 far 0 99 0 - 5.6-17.0 HG2 LYS 19 - HA ALA 110 far 0 49 0 - 6.6-54.1 HG2 LYS 19 - HA ALA 21 far 0 76 0 - 7.0-10.1 HG2 LYS 19 - HA ALA 109 far 0 56 0 - 7.9-53.1 QB ALA 12 - HA ALA 110 far 0 57 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 33 0 - 9.6-51.1 QB ALA 46 - HA ALA 21 far 0 100 0 - 9.9-25.8 Violated in 0 structures by 0.00 A. Peak 363 from cnoeabs.peaks (8.15, 4.29, 52.41 ppm; 2.86 A): 2 out of 19 assignments used, quality = 0.99: H ALA 15 + HA ALA 15 OK 90 96 100 94 2.3-2.9 3.0=91, 6122/3.6=21...(5) * H LEU 22 + HA ALA 21 OK 88 100 100 88 2.1-3.5 6186/2.1=55, 6185=53...(9) H LEU 22 - HA ALA 108 far 3 51 5 - 4.3-43.7 H ALA 15 - HA ALA 16 far 0 71 0 - 4.7-6.3 H ALA 15 - HA ALA 12 far 0 98 0 - 4.8-9.0 H ILE 32 - HA ALA 15 far 0 95 0 - 6.4-25.1 H LEU 22 - HA ALA 110 far 0 74 0 - 6.6-47.1 H LEU 22 - HA ALA 15 far 0 97 0 - 6.7-15.4 H ALA 15 - HA ALA 21 far 0 99 0 - 7.1-15.2 H LEU 22 - HA ALA 109 far 0 83 0 - 7.1-45.8 H LEU 22 - HA ALA 16 far 0 73 0 - 7.3-14.2 H LEU 22 - HA ALA 12 far 0 99 0 - 7.3-17.4 H ASN 121 - HA ALA 110 far 0 41 0 - 7.6-19.9 H ILE 32 - HA ALA 16 far 0 69 0 - 7.8-26.0 H ASP 71 - HA ALA 108 far 0 46 0 - 8.3-18.9 H ILE 32 - HA ALA 12 far 0 97 0 - 9.0-27.2 H ILE 32 - HA ALA 108 far 0 49 0 - 9.1-28.7 H ILE 32 - HA ALA 21 far 0 99 0 - 9.7-20.2 H ASN 121 - HA ALA 109 far 0 48 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 364 from cnoeabs.peaks (8.31, 1.34, 18.98 ppm; 3.03 A): 1 out of 19 assignments used, quality = 1.00: * H ALA 21 + QB ALA 21 OK 100 100 100 100 2.0-3.0 2.9=100 H GLY 17 - QB ALA 21 far 14 96 15 - 4.1-10.5 H GLY 17 - QB ALA 12 far 8 53 15 - 2.2-11.5 H GLY 111 - QB ALA 21 far 5 100 5 - 4.3-39.4 H ALA 110 - QB ALA 21 far 5 99 5 - 3.8-41.1 H ALA 21 - QB ALA 12 far 3 60 5 - 3.8-15.3 H ALA 28 - QB ALA 21 far 0 85 0 - 4.8-16.1 H GLU 40 - QB ALA 21 far 0 65 0 - 6.5-30.7 H LEU 69 - QB ALA 21 far 0 98 0 - 6.9-23.2 H LEU 49 - QB ALA 21 far 0 100 0 - 7.1-26.4 H ALA 28 - QB ALA 12 far 0 45 0 - 7.4-21.1 H GLY 111 - QB ALA 12 far 0 59 0 - 8.2-45.4 H GLU 44 - QB ALA 21 far 0 71 0 - 8.6-28.5 H GLU 44 - QB ALA 12 far 0 35 0 - 8.6-31.9 H SER 99 - QB ALA 21 far 0 90 0 - 8.9-33.3 H LEU 49 - QB ALA 12 far 0 59 0 - 9.9-29.7 H ALA 110 - QB ALA 12 far 0 58 0 - 9.9-47.2 H TYR 72 - QB ALA 21 far 0 93 0 - 9.9-23.6 H GLU 40 - QB ALA 12 far 0 32 0 - 10.0-34.1 Violated in 0 structures by 0.00 A. Peak 365 from cnoeabs.peaks (4.29, 1.34, 18.98 ppm; 2.50 A): 2 out of 33 assignments used, quality = 1.00: * HA ALA 21 + QB ALA 21 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 12 + QB ALA 12 OK 59 59 100 100 2.1-2.1 2.1=100 HA LEU 22 - QB ALA 21 poor 20 78 25 - 3.8-4.6 HA LYS 19 - QB ALA 21 poor 15 76 20 - 3.4-6.4 HA ALA 16 - QB ALA 12 far 8 51 15 - 2.9-10.8 HA THR 18 - QB ALA 21 lone 6 100 40 15 2.2-8.0 10686=5, 6180/6181=4...(5) HA ALA 15 - QB ALA 12 far 6 59 10 - 3.5-8.6 HA ALA 110 - QB ALA 21 far 5 99 5 - 3.0-41.9 HA GLN 61 - QB ALA 21 far 5 98 5 - 3.6-25.2 HA ALA 109 - QB ALA 21 far 5 95 5 - 2.9-40.6 HA ALA 108 - QB ALA 21 far 5 95 5 - 3.4-38.8 HA ALA 21 - QB ALA 12 far 3 60 5 - 3.5-16.2 HA THR 18 - QB ALA 12 far 3 60 5 - 3.6-12.4 HA LYS 19 - QB ALA 12 far 2 38 5 - 3.4-15.1 HA LYS 31 - QB ALA 12 far 0 52 0 - 4.3-22.8 HA LYS 36 - QB ALA 21 far 0 92 0 - 4.3-27.9 HA GLN 61 - QB ALA 12 far 0 56 0 - 4.7-31.1 HA ARG 23 - QB ALA 21 far 0 100 0 - 4.8-7.4 HA ALA 16 - QB ALA 21 far 0 93 0 - 4.9-12.4 HA THR 25 - QB ALA 12 far 0 60 0 - 5.1-18.5 HA TYR 76 - QB ALA 12 far 0 40 0 - 5.1-32.7 HA ALA 15 - QB ALA 21 far 0 100 0 - 5.4-13.1 HA THR 25 - QB ALA 21 far 0 100 0 - 5.5-11.6 HA ALA 12 - QB ALA 21 far 0 100 0 - 5.6-17.0 HA2 GLY 75 - QB ALA 12 far 0 31 0 - 6.9-32.3 HA LYS 31 - QB ALA 21 far 0 95 0 - 6.9-19.5 HA LEU 22 - QB ALA 12 far 0 40 0 - 6.9-15.0 HA LYS 26 - QB ALA 12 far 0 42 0 - 7.0-18.9 HB THR 115 - QB ALA 21 far 0 90 0 - 7.5-38.4 HA LYS 26 - QB ALA 21 far 0 81 0 - 8.0-12.1 HA ARG 23 - QB ALA 12 far 0 59 0 - 8.0-14.5 HA LYS 36 - QB ALA 12 far 0 50 0 - 9.0-27.7 HA ALA 110 - QB ALA 12 far 0 58 0 - 9.1-47.9 Violated in 0 structures by 0.00 A. Peak 366 from cnoeabs.peaks (1.34, 1.34, 18.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 21 + QB ALA 21 OK 100 100 - 100 QB ALA 12 + QB ALA 12 OK 46 46 - 100 Peak 367 from cnoeabs.peaks (8.15, 1.34, 18.98 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 22 + QB ALA 21 OK 100 100 100 100 2.9-3.7 6186=100, 6184/6181=49...(6) H ALA 15 - QB ALA 12 poor 15 58 25 - 2.7-7.5 H LEU 22 - QB ALA 12 far 0 60 0 - 5.2-14.3 H ALA 15 - QB ALA 21 far 0 99 0 - 5.3-12.9 H ILE 32 - QB ALA 12 far 0 57 0 - 6.8-22.0 H ILE 32 - QB ALA 21 far 0 99 0 - 6.8-18.9 Violated in 13 structures by 0.18 A. Peak 368 from cnoeabs.peaks (8.15, 4.27, 55.17 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 22 + HA LEU 22 OK 100 100 100 100 2.7-2.9 2.9=100 H ILE 32 - HA LEU 22 far 0 99 0 - 9.7-20.5 Violated in 0 structures by 0.00 A. Peak 369 from cnoeabs.peaks (4.27, 4.27, 55.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 22 + HA LEU 22 OK 100 100 - 100 Peak 370 from cnoeabs.peaks (1.54, 4.27, 55.17 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 22 + HA LEU 22 OK 100 100 100 100 2.7-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 371 from cnoeabs.peaks (1.62, 4.27, 55.17 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-2.9 2.9=100 HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-4.1 2.1/373=75, 2.1/374=61...(22) HG3 ARG 23 - HA LEU 22 poor 20 98 20 - 3.9-7.1 Violated in 0 structures by 0.00 A. Peak 372 from cnoeabs.peaks (1.62, 4.27, 55.17 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-2.9 2.9=100 * HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-4.1 2.1/373=76, 2.1/374=61...(22) HG3 ARG 23 - HA LEU 22 poor 20 98 20 - 3.9-7.1 Violated in 0 structures by 0.00 A. Peak 373 from cnoeabs.peaks (0.84, 4.27, 55.17 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 22 + HA LEU 22 OK 100 100 100 100 2.0-3.5 401=80, 402/2.9=51...(21) QD1 LEU 98 - HA LEU 22 far 0 81 0 - 6.6-33.2 QG2 ILE 32 - HA LEU 22 far 0 95 0 - 7.4-18.9 Violated in 3 structures by 0.03 A. Peak 374 from cnoeabs.peaks (0.89, 4.27, 55.17 ppm; 3.73 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 22 + HA LEU 22 OK 100 100 100 100 2.5-4.1 2.1/373=83, 4.0=81...(24) QG2 VAL 20 - HA LEU 22 poor 20 100 20 - 4.0-7.8 QG1 VAL 20 - HA LEU 22 far 5 95 5 - 4.7-7.6 QG1 VAL 118 - HA LEU 22 far 0 100 0 - 7.2-27.7 QD1 LEU 48 - HA LEU 22 far 0 60 0 - 7.9-22.3 QD2 LEU 98 - HA LEU 22 far 0 87 0 - 8.7-31.1 QD2 LEU 48 - HA LEU 22 far 0 93 0 - 9.2-22.5 QG2 VAL 63 - HA LEU 22 far 0 90 0 - 9.5-26.0 Violated in 13 structures by 0.09 A. Peak 375 from cnoeabs.peaks (8.24, 4.27, 55.17 ppm; 2.55 A): 1 out of 6 assignments used, quality = 0.86: * H ARG 23 + HA LEU 22 OK 86 100 100 86 2.2-3.6 6196=53, 6197/2.9=27...(17) H ALA 29 - HA LEU 22 far 0 100 0 - 6.2-15.4 H GLU 30 - HA LEU 22 far 0 89 0 - 6.4-16.7 H SER 107 - HA LEU 22 far 0 97 0 - 7.2-39.1 H LYS 31 - HA LEU 22 far 0 96 0 - 7.8-18.3 H SER 33 - HA LEU 22 far 0 95 0 - 8.4-24.2 Violated in 19 structures by 0.83 A. Peak 376 from cnoeabs.peaks (8.15, 1.54, 42.22 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.6-3.7 6188=100, 384/1.8=59...(25) H VAL 133 - HB3 LEU 42 far 0 98 0 - 5.3-9.5 H ASP 71 - HB3 LEU 42 far 0 93 0 - 7.3-10.7 H ALA 15 - HB2 LEU 22 far 0 99 0 - 7.9-17.9 Violated in 1 structures by 0.01 A. Peak 377 from cnoeabs.peaks (4.27, 1.54, 42.22 ppm; 3.56 A): 2 out of 22 assignments used, quality = 1.00: * HA LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.7-3.0 2.9=100 HA ARG 23 + HB2 LEU 22 OK 81 87 95 98 3.7-5.4 2.9/6197=55...(24) HA LYS 19 - HB2 LEU 22 poor 13 100 35 36 2.9-11.0 409/3.1=9, 401/402=6...(15) HA THR 18 - HB2 LEU 22 far 7 73 10 - 3.8-10.6 HA LYS 36 - HB3 LEU 42 far 5 97 5 - 5.0-11.0 HA ALA 21 - HB2 LEU 22 far 4 78 5 - 5.0-6.4 HA ALA 110 - HB2 LEU 22 far 0 90 0 - 6.0-45.4 HA ALA 109 - HB2 LEU 22 far 0 98 0 - 6.5-44.2 HA ALA 15 - HB2 LEU 22 far 0 89 0 - 6.8-17.4 HA ALA 12 - HB2 LEU 22 far 0 89 0 - 7.0-19.6 HA GLN 61 - HB2 LEU 22 far 0 95 0 - 7.0-26.5 HA ALA 108 - HB2 LEU 22 far 0 98 0 - 7.0-42.3 HA THR 25 - HB2 LEU 22 far 0 76 0 - 7.4-10.0 HA ALA 16 - HB2 LEU 22 far 0 99 0 - 7.5-16.4 HA GLN 27 - HB2 LEU 22 far 0 73 0 - 7.6-14.6 HA LYS 26 - HB2 LEU 22 far 0 100 0 - 7.6-11.3 HA LYS 31 - HB2 LEU 22 far 0 98 0 - 7.6-21.7 HA GLN 27 - HB3 LEU 42 far 0 70 0 - 7.6-20.5 HA LYS 36 - HB2 LEU 22 far 0 99 0 - 8.5-32.6 HA SER 74 - HB3 LEU 42 far 0 72 0 - 8.6-12.0 HA THR 18 - HB3 LEU 42 far 0 70 0 - 8.8-33.2 HA THR 25 - HB3 LEU 42 far 0 72 0 - 9.3-26.4 Violated in 0 structures by 0.00 A. Peak 378 from cnoeabs.peaks (1.54, 1.54, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 22 + HB2 LEU 22 OK 100 100 - 100 HB3 LEU 42 + HB3 LEU 42 OK 98 98 - 100 Peak 379 from cnoeabs.peaks (1.62, 1.54, 42.22 ppm; 2.50 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 22 + HB2 LEU 22 OK 96 100 100 96 2.3-2.9 3.0=59, 2.1/402=42...(19) HG LEU 43 - HB3 LEU 42 poor 16 65 45 54 3.0-5.5 ~11903=15, 9085/3.1=13...(7) HG3 ARG 23 - HB2 LEU 22 poor 10 98 25 40 2.7-7.3 5.0/6197=12, 3.8/377=9...(10) HG LEU 70 - HB3 LEU 42 far 0 98 0 - 9.2-13.9 Violated in 0 structures by 0.00 A. Peak 380 from cnoeabs.peaks (1.62, 1.54, 42.22 ppm; 4.35 A): 4 out of 5 assignments used, quality = 1.00: HB3 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 * HG LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 ARG 23 + HB2 LEU 22 OK 63 98 70 92 2.7-7.3 5.0/6197=47, 3.8/377=29...(24) HG LEU 43 + HB3 LEU 42 OK 62 65 100 97 3.0-5.5 ~11903=52, 4.6/6501=45...(8) HG LEU 70 - HB3 LEU 42 far 0 98 0 - 9.2-13.9 Violated in 0 structures by 0.00 A. Peak 381 from cnoeabs.peaks (0.84, 1.54, 42.22 ppm; 4.01 A): 4 out of 12 assignments used, quality = 1.00: * QD2 LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG1 VAL 133 + HB3 LEU 42 OK 88 98 90 100 2.1-5.8 10585/3.1=65...(31) QD2 LEU 69 + HB3 LEU 42 OK 35 59 60 100 3.4-7.9 ~11039=37, ~11066=37...(37) QG2 ILE 129 + HB3 LEU 42 OK 32 79 45 89 4.1-6.8 10486/3.1=53, ~9086=30...(12) QG2 ILE 80 - HB3 LEU 42 far 0 59 0 - 6.4-12.2 QG2 ILE 32 - HB3 LEU 42 far 0 91 0 - 6.5-11.4 HG13 ILE 80 - HB3 LEU 42 far 0 83 0 - 7.0-12.6 QD2 LEU 70 - HB3 LEU 42 far 0 88 0 - 7.1-11.1 QG2 ILE 32 - HB2 LEU 22 far 0 95 0 - 7.4-19.3 QD1 LEU 70 - HB3 LEU 42 far 0 72 0 - 8.1-11.7 QD1 LEU 98 - HB2 LEU 22 far 0 81 0 - 8.3-33.6 QG2 VAL 57 - HB2 LEU 22 far 0 81 0 - 8.8-25.8 Violated in 0 structures by 0.00 A. Peak 382 from cnoeabs.peaks (0.89, 1.54, 42.22 ppm; 3.61 A): 2 out of 14 assignments used, quality = 1.00: * QD1 LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 69 + HB3 LEU 42 OK 40 67 60 99 3.4-7.9 ~11039=29, ~11066=29...(37) QG2 VAL 20 - HB2 LEU 22 poor 20 100 35 56 3.3-8.9 ~10690=18, 6192/6188=15...(10) QG1 VAL 20 - HB2 LEU 22 far 14 95 15 - 4.3-9.3 QD1 LEU 48 - HB2 LEU 22 far 0 60 0 - 6.2-23.4 QD1 LEU 49 - HB3 LEU 42 far 0 83 0 - 7.3-10.2 QD1 LEU 48 - HB3 LEU 42 far 0 57 0 - 7.7-10.4 QD2 LEU 48 - HB3 LEU 42 far 0 90 0 - 7.8-11.8 QD2 LEU 48 - HB2 LEU 22 far 0 93 0 - 8.0-24.1 QD2 LEU 123 - HB3 LEU 42 far 0 94 0 - 8.8-14.4 QG1 VAL 20 - HB3 LEU 42 far 0 91 0 - 8.9-26.3 QG1 VAL 118 - HB2 LEU 22 far 0 100 0 - 9.4-28.0 QG2 VAL 112 - HB2 LEU 22 far 0 60 0 - 9.6-37.0 QG2 VAL 20 - HB3 LEU 42 far 0 98 0 - 9.8-27.2 Violated in 0 structures by 0.00 A. Peak 383 from cnoeabs.peaks (8.24, 1.54, 42.22 ppm; 4.28 A): 1 out of 8 assignments used, quality = 1.00: * H ARG 23 + HB2 LEU 22 OK 100 100 100 100 1.9-4.0 6197=100, 375/2.9=91...(22) H ASP 131 - HB3 LEU 42 far 0 67 0 - 6.0-10.5 H ALA 29 - HB2 LEU 22 far 0 100 0 - 7.6-15.8 H SER 107 - HB2 LEU 22 far 0 97 0 - 7.8-39.1 H GLU 30 - HB2 LEU 22 far 0 89 0 - 8.3-17.6 H SER 33 - HB3 LEU 42 far 0 91 0 - 8.5-13.5 H LYS 31 - HB2 LEU 22 far 0 96 0 - 8.6-19.1 H SER 33 - HB2 LEU 22 far 0 95 0 - 9.0-24.7 Violated in 0 structures by 0.00 A. Peak 384 from cnoeabs.peaks (8.15, 1.62, 42.22 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.1-3.8 6188/1.8=80, 4.0=73...(20) H ASN 121 + HB2 LEU 122 OK 23 40 90 64 4.5-5.4 ~10323=19, 7704/4.3=18...(13) H ASP 71 - HB2 LEU 122 far 0 66 0 - 7.9-12.2 H ALA 15 - HB3 LEU 22 far 0 99 0 - 9.0-18.3 Violated in 5 structures by 0.01 A. Peak 385 from cnoeabs.peaks (4.27, 1.62, 42.22 ppm; 3.44 A): 2 out of 22 assignments used, quality = 1.00: * HA LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.2-2.9 2.9=100 HA ARG 23 + HB3 LEU 22 OK 25 87 30 97 4.5-6.3 10728/4.0=34, 377/1.8=32...(22) HA LYS 19 - HB3 LEU 22 far 5 100 5 - 4.7-10.1 HA ALA 21 - HB3 LEU 22 far 4 78 5 - 4.5-6.5 HA THR 18 - HB3 LEU 22 far 4 73 5 - 4.7-10.9 HA GLN 61 - HB3 LEU 22 far 0 95 0 - 6.6-27.1 HA ALA 12 - HB3 LEU 22 far 0 89 0 - 7.1-21.0 HA ALA 109 - HB3 LEU 22 far 0 98 0 - 7.2-43.7 HA ALA 108 - HB3 LEU 22 far 0 98 0 - 7.4-41.8 HA THR 25 - HB3 LEU 22 far 0 76 0 - 7.5-10.3 HA ALA 110 - HB3 LEU 22 far 0 90 0 - 7.6-45.0 HA ALA 15 - HB3 LEU 22 far 0 89 0 - 7.6-17.7 HA SER 124 - HB2 LEU 122 far 0 40 0 - 7.7-8.5 HA LYS 26 - HB3 LEU 22 far 0 100 0 - 7.9-12.0 HA ALA 110 - HB2 LEU 122 far 0 60 0 - 8.3-18.8 HA LYS 36 - HB3 LEU 22 far 0 99 0 - 8.6-33.3 HA ALA 108 - HB2 LEU 122 far 0 69 0 - 9.0-16.0 HA GLN 27 - HB3 LEU 22 far 0 73 0 - 9.2-15.7 HA ALA 16 - HB3 LEU 22 far 0 99 0 - 9.2-16.2 HA LYS 31 - HB3 LEU 22 far 0 98 0 - 9.4-21.6 HA ALA 109 - HB2 LEU 122 far 0 69 0 - 9.8-15.6 HA GLN 27 - HB2 LEU 122 far 0 46 0 - 10.0-24.2 Violated in 0 structures by 0.00 A. Peak 386 from cnoeabs.peaks (1.54, 1.62, 42.22 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 123 - HB2 LEU 122 far 0 48 0 - 4.1-8.0 HB2 LEU 119 - HB2 LEU 122 far 0 73 0 - 5.1-8.2 HG LEU 103 - HB2 LEU 122 far 0 65 0 - 5.2-8.8 HB2 LEU 53 - HB2 LEU 122 far 0 48 0 - 6.1-11.9 HG LEU 49 - HB2 LEU 122 far 0 38 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 387 from cnoeabs.peaks (1.62, 1.62, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 22 + HB3 LEU 22 OK 100 100 - 100 HB2 LEU 122 + HB2 LEU 122 OK 69 69 - 100 Peak 388 from cnoeabs.peaks (1.62, 1.62, 42.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 22 + HB3 LEU 22 OK 100 100 - 100 HB2 LEU 122 + HB2 LEU 122 OK 69 69 - 100 Reference assignment not found: HG LEU 22 - HB3 LEU 22 Peak 389 from cnoeabs.peaks (0.84, 1.62, 42.22 ppm; 4.56 A): 3 out of 11 assignments used, quality = 1.00: * QD2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 70 + HB2 LEU 122 OK 48 61 80 97 3.5-7.4 2272/3.0=24, 3173/1.8=21...(48) QD1 LEU 70 + HB2 LEU 122 OK 41 48 90 95 4.3-8.8 ~2272=17, ~3173=17...(46) QD1 LEU 98 - HB2 LEU 122 poor 13 52 25 - 5.6-9.7 QD2 LEU 69 - HB2 LEU 122 far 0 38 0 - 6.4-10.9 QG2 ILE 32 - HB3 LEU 22 far 0 95 0 - 6.9-19.9 QD1 LEU 98 - HB3 LEU 22 far 0 81 0 - 8.1-33.3 QG2 VAL 57 - HB2 LEU 122 far 0 52 0 - 8.4-11.0 QG2 ILE 129 - HB2 LEU 122 far 0 53 0 - 9.2-11.3 QG2 VAL 57 - HB3 LEU 22 far 0 81 0 - 9.4-25.5 QG2 ILE 32 - HB2 LEU 122 far 0 64 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 390 from cnoeabs.peaks (0.89, 1.62, 42.22 ppm; 3.62 A): 3 out of 15 assignments used, quality = 1.00: * QD1 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG1 VAL 118 + HB2 LEU 122 OK 69 71 100 96 1.5-3.5 11612/3.1=22...(33) QD2 LEU 123 + HB2 LEU 122 OK 20 68 40 75 4.0-6.5 3944/4.3=32...(20) QG2 VAL 20 - HB3 LEU 22 poor 20 100 20 - 2.6-9.2 QD2 LEU 98 - HB2 LEU 122 poor 14 57 25 - 4.3-9.0 QD1 LEU 62 - HB2 LEU 122 poor 11 55 40 52 3.9-7.4 11748/3.5=5...(24) QG1 VAL 20 - HB3 LEU 22 far 9 95 10 - 3.7-9.4 QG2 VAL 63 - HB2 LEU 122 far 0 60 0 - 5.4-8.3 QD1 LEU 49 - HB2 LEU 122 far 0 57 0 - 5.6-8.5 QD2 LEU 69 - HB2 LEU 122 far 0 44 0 - 6.4-10.9 QD1 LEU 48 - HB3 LEU 22 far 0 60 0 - 7.4-24.0 QG1 VAL 118 - HB3 LEU 22 far 0 100 0 - 9.1-27.5 QD1 LEU 48 - HB2 LEU 122 far 0 37 0 - 9.1-15.3 QD2 LEU 48 - HB2 LEU 122 far 0 63 0 - 9.2-14.1 QD2 LEU 48 - HB3 LEU 22 far 0 93 0 - 9.3-24.3 Violated in 0 structures by 0.00 A. Peak 391 from cnoeabs.peaks (8.24, 1.62, 42.22 ppm; 4.59 A): 2 out of 9 assignments used, quality = 1.00: * H ARG 23 + HB3 LEU 22 OK 100 100 100 100 2.4-4.6 4.6=97, 6197/1.8=97...(19) H LEU 123 + HB2 LEU 122 OK 63 63 100 100 2.7-4.0 4.3=100 H LEU 96 - HB2 LEU 122 far 4 37 10 - 5.6-8.0 H GLU 30 - HB3 LEU 22 far 0 89 0 - 7.9-17.7 H ALA 29 - HB3 LEU 22 far 0 100 0 - 8.0-16.1 H SER 33 - HB3 LEU 22 far 0 95 0 - 8.1-25.4 H SER 107 - HB2 LEU 122 far 0 66 0 - 8.9-13.3 H SER 107 - HB3 LEU 22 far 0 97 0 - 9.3-38.7 H LYS 31 - HB3 LEU 22 far 0 96 0 - 9.5-19.1 Violated in 0 structures by 0.00 A. Peak 392 from cnoeabs.peaks (8.15, 1.62, 26.78 ppm; 4.27 A): 3 out of 13 assignments used, quality = 1.00: * H LEU 22 + HG LEU 22 OK 100 100 100 100 1.9-4.3 6188/3.0=78, 400/2.1=61...(15) H ASP 71 + HG LEU 70 OK 80 81 100 100 3.1-5.0 2275/2.1=56, 3.4/6949=52...(19) H LEU 22 + HG3 ARG 23 OK 67 83 90 89 3.5-6.5 10728/3.8=61, ~444=17...(18) H ASN 121 - HG LEU 119 poor 13 51 25 - 5.5-6.8 H ASN 121 - HG LEU 122 poor 8 40 20 - 4.2-7.2 H ILE 32 - HG3 ARG 23 far 0 79 0 - 8.0-20.7 H VAL 133 - HG3 ARG 84 far 0 57 0 - 8.2-11.7 H VAL 133 - HG2 ARG 84 far 0 57 0 - 8.3-12.7 H ALA 15 - HG LEU 22 far 0 99 0 - 8.5-18.2 H ASP 71 - HG LEU 122 far 0 67 0 - 8.6-11.0 H ALA 15 - HG3 ARG 23 far 0 81 0 - 8.6-19.6 H GLU 91 - HG2 ARG 84 far 0 37 0 - 9.7-12.6 H GLU 91 - HG3 ARG 84 far 0 37 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 393 from cnoeabs.peaks (4.27, 1.62, 26.78 ppm; 4.45 A): 7 out of 52 assignments used, quality = 1.00: * HA LEU 22 + HG LEU 22 OK 100 100 100 100 2.2-4.1 4.3=100 HA ARG 23 + HG3 ARG 23 OK 66 66 100 100 2.9-4.1 3.8=100 HA LEU 22 + HG3 ARG 23 OK 44 83 60 89 3.9-7.1 375/5.0=58, 444/1.8=32...(14) HA ARG 84 + HG2 ARG 84 OK 41 41 100 100 2.5-4.0 3.9=100 HA ARG 84 + HG3 ARG 84 OK 41 41 100 100 2.7-4.2 3.9=100 HA ALA 21 + HG LEU 22 OK 40 78 80 64 3.7-7.2 3.6/6189=37, 401/2.1=15...(8) HA LYS 19 + HG LEU 22 OK 34 100 60 57 2.6-10.7 409/2.1=17, 401/2.1=9...(15) HA THR 18 - HG LEU 22 poor 15 73 20 - 2.0-11.5 HA ARG 23 - HG LEU 22 far 13 87 15 - 5.4-6.6 HA ALA 21 - HG3 ARG 23 poor 12 58 50 42 3.9-8.3 3.6/392=16, ~1564=11...(8) HA ALA 12 - HG LEU 22 far 4 89 5 - 5.1-18.4 HB THR 115 - HG LEU 119 far 4 85 5 - 5.7-9.3 HA LYS 19 - HG3 ARG 23 far 4 83 5 - 5.1-11.2 HA LYS 26 - HG3 ARG 23 far 4 83 5 - 5.9-12.3 HA LYS 36 - HG3 ARG 23 far 4 80 5 - 5.1-28.6 HA ALA 108 - HG3 ARG 23 far 4 78 5 - 4.7-42.7 HA ALA 110 - HG3 ARG 23 far 3 69 5 - 5.6-46.2 HA GLN 27 - HG3 ARG 23 far 3 54 5 - 5.2-13.7 HA SER 74 - HG LEU 70 far 0 60 0 - 6.0-9.5 HA ALA 109 - HG LEU 119 far 0 83 0 - 6.1-13.4 HA ALA 110 - HG LEU 119 far 0 73 0 - 6.2-14.7 HA GLN 61 - HG3 ARG 23 far 0 74 0 - 6.3-26.1 HA THR 25 - HG3 ARG 23 far 0 56 0 - 6.4-10.0 HA THR 18 - HG3 ARG 23 far 0 54 0 - 6.4-12.0 HA ALA 15 - HG3 ARG 23 far 0 67 0 - 6.4-17.3 HA ALA 108 - HG LEU 22 far 0 98 0 - 6.4-44.6 HA SER 124 - HG LEU 122 far 0 40 0 - 6.8-9.1 HA ALA 16 - HG3 ARG 23 far 0 79 0 - 6.9-16.3 HA ALA 109 - HG3 ARG 23 far 0 78 0 - 7.0-45.1 HA ALA 15 - HG LEU 22 far 0 89 0 - 7.1-17.0 HA ALA 108 - HG LEU 122 far 0 69 0 - 7.2-16.6 HA ALA 108 - HG LEU 119 far 0 83 0 - 7.3-15.2 HA ALA 108 - HG LEU 70 far 0 83 0 - 7.3-16.3 HA ALA 110 - HG LEU 22 far 0 90 0 - 7.3-47.7 HA ALA 16 - HG LEU 22 far 0 99 0 - 7.4-15.7 HA PHE 87 - HG2 ARG 84 far 0 57 0 - 7.7-9.7 HA GLN 61 - HG LEU 22 far 0 95 0 - 7.7-28.0 HA LYS 31 - HG LEU 22 far 0 98 0 - 7.8-23.7 HA LYS 31 - HG3 ARG 23 far 0 78 0 - 7.8-22.1 HA LYS 36 - HG LEU 22 far 0 99 0 - 7.9-33.9 HA PHE 87 - HG3 ARG 84 far 0 57 0 - 7.9-9.7 HA ALA 109 - HG LEU 22 far 0 98 0 - 8.0-46.5 HA ALA 12 - HG3 ARG 23 far 0 67 0 - 8.1-18.2 HA GLN 27 - HG LEU 22 far 0 73 0 - 8.3-16.7 HA GLN 27 - HG LEU 70 far 0 57 0 - 8.4-21.0 HA GLN 61 - HG LEU 119 far 0 78 0 - 9.2-16.5 HA THR 25 - HG LEU 22 far 0 76 0 - 9.2-11.7 HA LYS 26 - HG LEU 22 far 0 100 0 - 9.3-13.8 HA GLN 61 - HG LEU 122 far 0 64 0 - 9.5-13.6 HA ALA 21 - HG LEU 119 far 0 62 0 - 9.5-37.7 HA GLN 27 - HG LEU 122 far 0 46 0 - 9.5-21.8 HA LYS 31 - HG LEU 70 far 0 83 0 - 9.5-19.6 Violated in 0 structures by 0.00 A. Peak 394 from cnoeabs.peaks (1.54, 1.62, 26.78 ppm; 4.35 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LEU 22 + HG LEU 22 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 LEU 119 + HG LEU 119 OK 87 87 100 100 2.3-3.0 2.9=100 HB2 LEU 22 + HG3 ARG 23 OK 53 83 70 91 2.7-7.3 6197/5.0=47, 377/3.8=29...(22) HB2 LEU 53 + HG LEU 119 OK 20 60 35 98 4.2-11.5 ~11621=41, ~1641=18...(39) HG LEU 123 - HG LEU 119 poor 20 60 35 94 4.7-8.8 3791/2.1=23, 3756/3.7=19...(29) HG LEU 123 - HG LEU 122 poor 19 48 40 - 3.1-8.0 HG LEU 103 - HG LEU 119 far 12 79 15 - 4.9-10.5 HB2 LEU 119 - HG LEU 122 far 11 73 15 - 5.7-8.6 HG LEU 103 - HG LEU 122 far 7 65 10 - 5.2-9.4 HB2 LEU 53 - HG LEU 122 far 2 48 5 - 5.1-12.7 HG13 ILE 37 - HG3 ARG 23 far 0 67 0 - 6.9-28.7 HG LEU 49 - HG LEU 122 far 0 38 0 - 6.9-10.4 HG LEU 49 - HG LEU 70 far 0 48 0 - 8.0-13.9 HG13 ILE 37 - HG LEU 70 far 0 72 0 - 8.1-15.4 HG LEU 103 - HG LEU 70 far 0 79 0 - 8.3-12.0 HB3 LEU 42 - HG LEU 70 far 0 87 0 - 9.2-13.9 HG LEU 123 - HG LEU 70 far 0 60 0 - 9.2-13.6 HG LEU 103 - HG3 ARG 23 far 0 75 0 - 9.4-34.1 Violated in 0 structures by 0.00 A. Peak 395 from cnoeabs.peaks (1.62, 1.62, 26.78 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HG LEU 22 + HG LEU 22 OK 100 100 - 100 HG LEU 119 + HG LEU 119 OK 86 86 - 100 HG LEU 70 + HG LEU 70 OK 86 86 - 100 HG3 ARG 23 + HG3 ARG 23 OK 78 78 - 100 HG LEU 122 + HG LEU 122 OK 65 65 - 100 HG2 ARG 84 + HG2 ARG 84 OK 41 41 - 100 HG3 ARG 84 + HG3 ARG 84 OK 41 41 - 100 Reference assignment not found: HB3 LEU 22 - HG LEU 22 Peak 396 from cnoeabs.peaks (1.62, 1.62, 26.78 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG LEU 22 + HG LEU 22 OK 100 100 - 100 HG LEU 119 + HG LEU 119 OK 86 86 - 100 HG LEU 70 + HG LEU 70 OK 86 86 - 100 HG3 ARG 23 + HG3 ARG 23 OK 78 78 - 100 HG LEU 122 + HG LEU 122 OK 65 65 - 100 HG2 ARG 84 + HG2 ARG 84 OK 41 41 - 100 HG3 ARG 84 + HG3 ARG 84 OK 41 41 - 100 Peak 397 from cnoeabs.peaks (0.84, 1.62, 26.78 ppm; 3.14 A): 5 out of 36 assignments used, quality = 1.00: * QD2 LEU 22 + HG LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 70 OK 75 75 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 70 OK 60 60 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 122 OK 23 48 65 75 2.5-8.1 2.1/2272=19, 2264=11...(28) QD2 LEU 70 + HG LEU 122 OK 23 61 45 82 3.2-7.7 2272=23, 2273/2.1=13...(32) QD2 LEU 22 - HG3 ARG 23 far 8 83 10 - 2.0-7.9 QD2 LEU 69 - HG LEU 70 far 5 48 10 - 3.6-8.1 QG2 ILE 32 - HG3 ARG 23 far 4 74 5 - 4.6-18.9 QG2 VAL 57 - HG LEU 119 far 3 64 5 - 4.6-10.9 QG2 ILE 80 - HG2 ARG 84 far 0 29 0 - 4.7-9.9 QD2 LEU 69 - HG LEU 122 far 0 38 0 - 5.2-9.6 QG2 ILE 80 - HG3 ARG 84 far 0 29 0 - 5.3-9.8 QG2 ILE 32 - HG LEU 70 far 0 78 0 - 6.5-12.8 QG2 ILE 129 - HG LEU 70 far 0 66 0 - 6.6-8.9 QD1 LEU 98 - HG LEU 122 far 0 52 0 - 6.7-11.8 QG2 VAL 57 - HG LEU 122 far 0 52 0 - 7.1-9.9 QG1 VAL 133 - HG3 ARG 84 far 0 56 0 - 7.3-11.5 HG13 ILE 80 - HG3 ARG 84 far 0 44 0 - 7.3-11.7 QD1 LEU 98 - HG3 ARG 23 far 0 60 0 - 7.3-33.3 HG13 ILE 80 - HG2 ARG 84 far 0 44 0 - 7.5-11.8 QD1 LEU 98 - HG LEU 70 far 0 64 0 - 8.0-10.9 QG1 VAL 133 - HG2 ARG 84 far 0 56 0 - 8.0-12.1 QD1 LEU 70 - HG LEU 119 far 0 60 0 - 8.4-12.7 QG2 ILE 129 - HG3 ARG 84 far 0 41 0 - 8.4-12.0 QD2 LEU 69 - HG LEU 119 far 0 48 0 - 8.5-15.1 QD2 LEU 70 - HG LEU 119 far 0 75 0 - 8.6-12.3 QG2 ILE 32 - HG LEU 22 far 0 95 0 - 8.7-21.1 QG2 ILE 129 - HG2 ARG 84 far 0 41 0 - 8.8-12.2 QG2 VAL 57 - HG LEU 22 far 0 81 0 - 8.9-26.3 QD1 LEU 98 - HG LEU 119 far 0 64 0 - 8.9-14.0 QD1 LEU 98 - HG LEU 22 far 0 81 0 - 9.2-35.5 QG2 ILE 129 - HG LEU 122 far 0 53 0 - 9.3-10.9 QG2 ILE 32 - HG LEU 122 far 0 64 0 - 9.4-15.7 QG2 VAL 57 - HG3 ARG 23 far 0 60 0 - 9.5-26.3 QG1 VAL 133 - HG LEU 70 far 0 86 0 - 9.6-11.6 QG2 ILE 80 - HG LEU 70 far 0 48 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 398 from cnoeabs.peaks (0.89, 1.62, 26.78 ppm; 3.67 A): 7 out of 45 assignments used, quality = 1.00: * QD1 LEU 22 + HG LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 118 + HG LEU 122 OK 69 72 100 96 1.9-4.9 11612/2.1=28, 390/3.0=26...(31) QG1 VAL 118 + HG LEU 119 OK 68 86 90 88 3.5-5.6 4.1/3781=28, ~11624=20...(17) QD1 LEU 62 + HG LEU 119 OK 58 68 90 94 2.2-7.9 ~10992=22, 10954/3.7=19...(31) QG2 VAL 20 + HG3 ARG 23 OK 50 82 70 87 1.8-8.8 2.1/10713=29, ~10713=23...(23) QD2 LEU 123 + HG LEU 122 OK 38 68 75 75 1.9-6.0 11422/2.1=21...(22) QG1 VAL 20 + HG3 ARG 23 OK 23 74 35 88 1.9-9.3 10713/1.8=36, 10713=35...(22) QG2 VAL 20 - HG LEU 22 poor 20 100 35 56 3.3-7.3 ~10690=28, 6192/5.1=9...(14) QD1 LEU 22 - HG3 ARG 23 poor 18 83 35 64 3.3-8.3 10727/3.8=16...(13) QD1 LEU 62 - HG LEU 122 poor 18 55 65 49 2.5-6.3 ~10992=7, ~9395=6...(20) QD1 LEU 49 - HG LEU 122 poor 14 57 25 - 4.1-7.1 QG1 VAL 20 - HG LEU 22 poor 12 95 25 52 4.3-8.0 ~10690=28, 6192/5.1=8...(14) QG2 VAL 63 - HG LEU 122 poor 12 60 20 - 4.0-8.6 QD2 LEU 69 - HG LEU 70 far 8 55 15 - 3.6-8.1 QD2 LEU 98 - HG LEU 122 far 6 57 10 - 4.6-10.3 QG2 VAL 63 - HG LEU 119 lone 5 73 45 15 3.7-10.1 11012/1985=5...(6) QD2 LEU 123 - HG LEU 119 far 4 82 5 - 4.7-7.9 QD2 LEU 69 - HG LEU 122 far 0 44 0 - 5.2-9.6 QD1 LEU 48 - HG LEU 22 far 0 60 0 - 5.3-25.2 QD2 LEU 98 - HG LEU 70 far 0 70 0 - 5.5-8.9 QD2 LEU 123 - HG LEU 70 far 0 82 0 - 6.0-10.1 QD1 LEU 62 - HG LEU 70 far 0 68 0 - 6.2-10.9 QG1 VAL 118 - HG LEU 70 far 0 86 0 - 6.3-8.2 QD1 LEU 49 - HG LEU 70 far 0 70 0 - 6.4-11.3 QG2 VAL 63 - HG LEU 70 far 0 73 0 - 6.7-9.5 QD1 LEU 48 - HG LEU 70 far 0 46 0 - 7.0-15.7 QG2 VAL 112 - HG LEU 119 far 0 46 0 - 7.0-11.3 QD1 LEU 49 - HG LEU 119 far 0 70 0 - 7.0-11.6 QD1 LEU 48 - HG LEU 122 far 0 37 0 - 7.1-13.9 QD2 LEU 48 - HG LEU 22 far 0 93 0 - 7.5-24.1 QD2 LEU 48 - HG LEU 122 far 0 63 0 - 7.6-12.5 QD1 LEU 48 - HG3 ARG 23 far 0 43 0 - 7.7-23.1 QG1 VAL 118 - HG3 ARG 23 far 0 81 0 - 8.0-28.7 QD2 LEU 48 - HG3 ARG 23 far 0 72 0 - 8.1-23.1 QD2 LEU 48 - HG LEU 119 far 0 77 0 - 8.1-15.3 QD2 LEU 98 - HG LEU 119 far 0 70 0 - 8.3-13.7 QG2 VAL 63 - HG3 ARG 23 far 0 69 0 - 8.3-26.5 QD2 LEU 98 - HG3 ARG 23 far 0 66 0 - 8.4-31.0 QD2 LEU 69 - HG LEU 119 far 0 55 0 - 8.5-15.1 QD2 LEU 48 - HG LEU 70 far 0 77 0 - 8.7-14.3 QD1 LEU 48 - HG LEU 119 far 0 46 0 - 8.8-15.9 QG1 VAL 118 - HG LEU 22 far 0 100 0 - 9.6-29.8 QG2 VAL 112 - HG LEU 22 far 0 60 0 - 9.6-38.2 QG1 VAL 20 - HG LEU 122 far 0 64 0 - 9.8-30.8 QG2 VAL 112 - HG3 ARG 23 far 0 43 0 - 9.8-36.8 Violated in 0 structures by 0.00 A. Peak 399 from cnoeabs.peaks (8.24, 1.62, 26.78 ppm; 5.27 A): 4 out of 22 assignments used, quality = 1.00: * H ARG 23 + HG LEU 22 OK 100 100 100 100 2.9-4.5 6197/3.0=94, 375/4.3=90...(24) H ARG 23 + HG3 ARG 23 OK 83 83 100 100 2.3-4.5 5.0=100 H LEU 123 + HG LEU 122 OK 62 63 100 99 1.8-4.5 3899/2.1=58, 3907/2.1=44...(29) H LEU 123 + HG LEU 119 OK 55 77 80 89 5.9-7.6 11552/2.9=54...(15) H LEU 96 - HG LEU 70 poor 20 46 45 95 5.4-8.3 11083/2.1=46...(17) H ALA 29 - HG3 ARG 23 far 12 82 15 - 4.6-16.4 H GLU 30 - HG3 ARG 23 far 10 67 15 - 6.2-17.6 H LEU 96 - HG LEU 122 far 5 37 15 - 6.1-8.6 H ALA 29 - HG LEU 70 far 4 87 5 - 6.7-18.7 H SER 107 - HG3 ARG 23 far 4 76 5 - 4.4-39.3 H LYS 31 - HG3 ARG 23 far 4 75 5 - 5.8-19.4 H SER 33 - HG3 ARG 23 far 0 74 0 - 7.6-24.5 H SER 107 - HG LEU 119 far 0 81 0 - 7.8-14.5 H SER 107 - HG LEU 70 far 0 81 0 - 7.8-13.1 H LEU 123 - HG LEU 70 far 0 77 0 - 8.1-10.8 H ALA 29 - HG LEU 22 far 0 100 0 - 8.2-17.7 H GLU 30 - HG LEU 22 far 0 89 0 - 8.4-19.6 H SER 107 - HG LEU 122 far 0 67 0 - 8.6-13.8 H LYS 31 - HG LEU 22 far 0 96 0 - 8.7-21.1 H GLU 30 - HG LEU 70 far 0 72 0 - 9.2-18.6 H SER 107 - HG LEU 22 far 0 97 0 - 9.2-41.4 H SER 33 - HG LEU 70 far 0 78 0 - 9.5-16.5 Violated in 0 structures by 0.00 A. Peak 400 from cnoeabs.peaks (8.15, 0.84, 23.38 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.7-4.8 6191=93, 2.9/373=92...(17) H ALA 15 - QD2 LEU 22 far 0 99 0 - 8.9-16.5 Violated in 1 structures by 0.00 A. Peak 401 from cnoeabs.peaks (4.27, 0.84, 23.38 ppm; 3.01 A): 1 out of 18 assignments used, quality = 1.00: * HA LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.0-3.5 373=90, 2.9/402=48...(21) HA ALA 21 - QD2 LEU 22 poor 20 78 75 33 3.8-6.2 3.6/400=22, ~6178=3...(7) HA LYS 19 - QD2 LEU 22 poor 11 100 45 25 3.1-9.5 409/2.1=9, ~10720=3...(10) HA THR 18 - QD2 LEU 22 far 11 73 15 - 3.2-10.8 HA ARG 23 - QD2 LEU 22 far 4 87 5 - 3.9-6.2 HA ALA 12 - QD2 LEU 22 far 0 89 0 - 4.7-16.7 HA ALA 108 - QD2 LEU 22 far 0 98 0 - 5.1-37.1 HA GLN 61 - QD2 LEU 22 far 0 95 0 - 5.1-23.9 HA ALA 110 - QD2 LEU 22 far 0 90 0 - 5.6-39.8 HA ALA 109 - QD2 LEU 22 far 0 98 0 - 5.8-38.6 HA THR 25 - QD2 LEU 22 far 0 76 0 - 7.2-10.6 HA ALA 15 - QD2 LEU 22 far 0 89 0 - 7.5-16.0 HA GLN 27 - QD2 LEU 22 far 0 73 0 - 7.8-14.8 HA LYS 36 - QD2 LEU 22 far 0 99 0 - 8.0-29.0 HA ALA 16 - QD2 LEU 22 far 0 99 0 - 8.1-14.5 HA LYS 31 - QD2 LEU 22 far 0 98 0 - 8.3-19.6 HA LYS 26 - QD2 LEU 22 far 0 100 0 - 8.7-12.0 HB THR 115 - QD2 LEU 22 far 0 99 0 - 9.8-35.8 Violated in 4 structures by 0.05 A. Peak 402 from cnoeabs.peaks (1.54, 0.84, 23.38 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=90, 2.9/373=47...(22) Violated in 16 structures by 0.11 A. Peak 403 from cnoeabs.peaks (1.62, 0.84, 23.38 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 23 - QD2 LEU 22 far 10 98 10 - 2.0-7.9 Violated in 0 structures by 0.00 A. Peak 404 from cnoeabs.peaks (1.62, 0.84, 23.38 ppm; 2.75 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 22 + QD2 LEU 22 OK 98 100 100 98 2.0-3.2 3.1=68, 1.8/402=57...(17) HG3 ARG 23 - QD2 LEU 22 far 10 98 10 - 2.0-7.9 Violated in 0 structures by 0.00 A. Peak 405 from cnoeabs.peaks (0.84, 0.84, 23.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 22 + QD2 LEU 22 OK 100 100 - 100 Peak 406 from cnoeabs.peaks (0.89, 0.84, 23.38 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 20 - QD2 LEU 22 poor 20 100 20 - 1.8-7.7 QG1 VAL 20 - QD2 LEU 22 far 0 95 0 - 4.1-8.3 QD1 LEU 48 - QD2 LEU 22 far 0 60 0 - 5.9-20.3 QD2 LEU 48 - QD2 LEU 22 far 0 93 0 - 7.1-20.1 QG1 VAL 118 - QD2 LEU 22 far 0 100 0 - 7.4-24.7 QG2 VAL 112 - QD2 LEU 22 far 0 60 0 - 8.9-32.8 QD2 LEU 98 - QD2 LEU 22 far 0 87 0 - 9.0-27.7 QG2 VAL 63 - QD2 LEU 22 far 0 90 0 - 9.1-23.2 QD1 LEU 62 - QD2 LEU 22 far 0 85 0 - 9.3-23.1 Violated in 0 structures by 0.00 A. Peak 407 from cnoeabs.peaks (8.24, 0.84, 23.38 ppm; 4.87 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 23 + QD2 LEU 22 OK 100 100 100 100 1.8-4.9 6200=100, 375/373=97...(21) H ALA 29 - QD2 LEU 22 far 0 100 0 - 7.1-15.1 H SER 107 - QD2 LEU 22 far 0 97 0 - 7.3-34.6 H GLU 30 - QD2 LEU 22 far 0 89 0 - 7.6-16.2 H LYS 31 - QD2 LEU 22 far 0 96 0 - 8.5-17.6 H SER 33 - QD2 LEU 22 far 0 95 0 - 8.7-22.5 Violated in 1 structures by 0.00 A. Peak 408 from cnoeabs.peaks (8.15, 0.89, 24.55 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.0-4.4 4.9=95, 6188/3.1=87...(22) H ALA 15 - QD1 LEU 22 far 0 99 0 - 6.6-15.4 H ILE 32 - QD1 LEU 22 far 0 99 0 - 8.6-19.6 Violated in 0 structures by 0.00 A. Peak 409 from cnoeabs.peaks (4.27, 0.89, 24.55 ppm; 4.28 A): 3 out of 17 assignments used, quality = 1.00: * HA LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.5-4.1 4.0=100 HA LYS 19 + QD1 LEU 22 OK 40 100 70 57 1.9-9.6 11764=17, 401/2.1=8...(14) HA ARG 23 + QD1 LEU 22 OK 39 87 45 99 4.7-7.0 10728/4.9=41, ~6200=36...(22) HA ALA 21 - QD1 LEU 22 poor 20 78 25 - 3.4-6.7 HA ALA 108 - QD1 LEU 22 far 5 98 5 - 5.3-36.7 HA GLN 61 - QD1 LEU 22 far 5 95 5 - 5.7-24.2 HA ALA 12 - QD1 LEU 22 far 4 89 5 - 3.6-16.9 HA ALA 15 - QD1 LEU 22 far 4 89 5 - 4.9-15.0 HA THR 18 - QD1 LEU 22 lone 2 73 30 10 2.1-9.8 3.6/10698=5, 10685=2 HA ALA 110 - QD1 LEU 22 far 0 90 0 - 6.7-39.1 HA THR 25 - QD1 LEU 22 far 0 76 0 - 6.7-10.6 HA GLN 27 - QD1 LEU 22 far 0 73 0 - 6.9-14.2 HA ALA 16 - QD1 LEU 22 far 0 99 0 - 7.1-14.0 HA ALA 109 - QD1 LEU 22 far 0 98 0 - 7.3-38.1 HA LYS 31 - QD1 LEU 22 far 0 98 0 - 7.7-19.4 HA LYS 36 - QD1 LEU 22 far 0 99 0 - 7.9-29.6 HA LYS 26 - QD1 LEU 22 far 0 100 0 - 8.0-11.2 Violated in 0 structures by 0.00 A. Peak 410 from cnoeabs.peaks (1.54, 0.89, 24.55 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 103 - QD1 LEU 22 far 0 96 0 - 9.2-29.1 Violated in 0 structures by 0.00 A. Peak 411 from cnoeabs.peaks (1.62, 0.89, 24.55 ppm; 3.16 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 23 - QD1 LEU 22 poor 12 98 25 51 3.3-8.3 3.8/10727=11...(14) Violated in 0 structures by 0.00 A. Peak 412 from cnoeabs.peaks (1.62, 0.89, 24.55 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 * HG LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 23 - QD1 LEU 22 poor 13 98 25 53 3.3-8.3 3.8/10727=12...(14) Violated in 0 structures by 0.00 A. Peak 413 from cnoeabs.peaks (0.84, 0.89, 24.55 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 22 + QD1 LEU 22 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 57 - QD1 LEU 22 far 0 81 0 - 6.6-23.0 QG2 ILE 32 - QD1 LEU 22 far 0 95 0 - 7.2-17.9 QD1 LEU 98 - QD1 LEU 22 far 0 81 0 - 8.7-29.5 Violated in 0 structures by 0.00 A. Peak 414 from cnoeabs.peaks (0.89, 0.89, 24.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 22 + QD1 LEU 22 OK 100 100 - 100 Peak 416 from cnoeabs.peaks (8.24, 4.29, 55.99 ppm; 3.01 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 H ALA 29 - HA ARG 23 far 5 100 5 - 4.5-12.4 H GLU 30 - HA ARG 23 far 0 89 0 - 4.6-14.8 H LYS 31 - HA ARG 23 far 0 96 0 - 5.3-16.5 H SER 107 - HA ARG 23 far 0 97 0 - 6.3-36.1 H SER 33 - HA ARG 23 far 0 95 0 - 6.6-21.5 Violated in 0 structures by 0.00 A. Peak 417 from cnoeabs.peaks (4.29, 4.29, 55.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 23 + HA ARG 23 OK 100 100 - 100 Peak 418 from cnoeabs.peaks (1.75, 4.29, 55.99 ppm; 3.03 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 26 - HA ARG 23 poor 20 100 20 - 2.1-11.0 HB2 LYS 31 - HA ARG 23 far 0 96 0 - 4.7-18.9 HB2 LYS 19 - HA ARG 23 far 0 100 0 - 4.8-14.4 HB2 LYS 24 - HA ARG 23 far 0 99 0 - 4.9-6.5 HB2 LEU 48 - HA ARG 23 far 0 68 0 - 8.7-27.8 Violated in 0 structures by 0.00 A. Peak 419 from cnoeabs.peaks (1.82, 4.29, 55.99 ppm; 3.06 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 26 - HA ARG 23 poor 20 100 20 - 2.0-11.3 HB3 LYS 24 - HA ARG 23 far 10 98 10 - 4.4-6.2 HB3 LYS 31 - HA ARG 23 far 5 97 5 - 4.2-18.6 HB3 LYS 19 - HA ARG 23 far 5 97 5 - 4.3-14.0 HB2 LYS 36 - HA ARG 23 far 0 99 0 - 6.5-28.2 HB ILE 32 - HA ARG 23 far 0 100 0 - 7.7-18.8 Violated in 0 structures by 0.00 A. Peak 420 from cnoeabs.peaks (1.57, 4.29, 55.99 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.2-3.8 3.8=100 HG LEU 103 - HA ARG 23 far 0 85 0 - 10.0-30.7 HG13 ILE 37 - HA ARG 23 far 0 93 0 - 10.0-25.8 Violated in 0 structures by 0.00 A. Peak 421 from cnoeabs.peaks (1.63, 4.29, 55.99 ppm; 4.32 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.9-4.1 3.8=100 HB3 LEU 22 + HA ARG 23 OK 73 98 75 100 4.5-6.3 4.0/10728=66, ~6197=50...(23) HG LEU 22 - HA ARG 23 far 15 98 15 - 5.4-6.6 HB2 LEU 98 - HA ARG 23 far 0 68 0 - 5.9-35.9 HD3 LYS 19 - HA ARG 23 far 0 76 0 - 6.1-16.1 HD2 LYS 19 - HA ARG 23 far 0 76 0 - 7.0-14.4 Violated in 0 structures by 0.00 A. Peak 422 from cnoeabs.peaks (3.17, 4.29, 55.99 ppm; 4.81 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.0-5.1 4.9=97, ~430=48...(26) HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.0-5.2 4.9=97, ~430=48...(25) HB3 HIS 7 - HA ARG 23 far 5 93 5 - 5.9-34.0 HB2 HIS 10 - HA ARG 23 far 0 99 0 - 7.4-24.7 HB3 HIS 6 - HA ARG 23 far 0 100 0 - 9.8-36.4 HB2 HIS 6 - HA ARG 23 far 0 96 0 - 9.9-34.7 Violated in 0 structures by 0.00 A. Peak 423 from cnoeabs.peaks (3.17, 4.29, 55.99 ppm; 4.81 A): 2 out of 6 assignments used, quality = 1.00: HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.0-5.1 4.9=97, ~430=48...(26) * HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.0-5.2 4.9=97, ~430=48...(25) HB3 HIS 7 - HA ARG 23 far 5 93 5 - 5.9-34.0 HB2 HIS 10 - HA ARG 23 far 0 99 0 - 7.4-24.7 HB3 HIS 6 - HA ARG 23 far 0 100 0 - 9.8-36.4 HB2 HIS 6 - HA ARG 23 far 0 96 0 - 9.9-34.7 Violated in 0 structures by 0.00 A. Peak 424 from cnoeabs.peaks (8.37, 4.29, 55.99 ppm; 2.64 A): 1 out of 5 assignments used, quality = 0.95: * H LYS 24 + HA ARG 23 OK 95 100 100 95 2.3-3.4 6212=81, 6211/2.9=35...(12) H GLN 27 - HA ARG 23 far 13 85 15 - 3.2-9.3 H LYS 26 - HA ARG 23 lone 6 100 30 19 3.0-8.7 6245/6240=11, 6246=3...(4) H LYS 19 - HA ARG 23 far 0 83 0 - 5.8-13.4 H ASP 35 - HA ARG 23 far 0 89 0 - 8.0-27.2 Violated in 14 structures by 0.17 A. Peak 425 from cnoeabs.peaks (8.24, 1.75, 30.64 ppm; 3.40 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.6-4.0 6203=100, 6204/1.8=81...(10) H ALA 29 - HB2 ARG 23 far 5 100 5 - 4.0-14.9 H GLU 30 - HB2 ARG 23 far 0 89 0 - 5.1-16.3 H LYS 31 - HB2 ARG 23 far 0 96 0 - 5.6-18.1 H SER 107 - HB2 ARG 23 far 0 97 0 - 5.7-37.7 H SER 33 - HB2 ARG 23 far 0 95 0 - 7.0-22.7 Violated in 5 structures by 0.09 A. Peak 426 from cnoeabs.peaks (4.29, 1.75, 30.64 ppm; 3.46 A): 1 out of 16 assignments used, quality = 1.00: * HA ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 22 - HB2 ARG 23 poor 19 87 25 89 4.0-6.4 375/6203=58, ~10728=20...(23) HA LYS 26 - HB2 ARG 23 far 9 89 10 - 4.3-10.5 HA ALA 110 - HB2 ARG 23 far 5 100 5 - 4.1-44.7 HA ALA 21 - HB2 ARG 23 far 5 100 5 - 4.9-8.7 HA ALA 108 - HB2 ARG 23 far 5 98 5 - 4.8-41.0 HA ALA 109 - HB2 ARG 23 far 5 98 5 - 4.9-43.5 HA LYS 36 - HB2 ARG 23 far 5 97 5 - 3.7-27.0 HA THR 25 - HB2 ARG 23 far 0 100 0 - 5.9-8.3 HA LYS 19 - HB2 ARG 23 far 0 85 0 - 6.0-11.8 HA THR 18 - HB2 ARG 23 far 0 99 0 - 6.4-11.9 HA LYS 31 - HB2 ARG 23 far 0 98 0 - 6.6-20.9 HA ALA 16 - HB2 ARG 23 far 0 97 0 - 7.0-16.2 HA ALA 15 - HB2 ARG 23 far 0 100 0 - 7.6-18.1 HA GLN 61 - HB2 ARG 23 far 0 100 0 - 8.8-25.0 HA ALA 12 - HB2 ARG 23 far 0 100 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 427 from cnoeabs.peaks (1.75, 1.75, 30.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 Peak 428 from cnoeabs.peaks (1.82, 1.75, 30.64 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 26 - HB2 ARG 23 far 10 100 10 - 2.4-12.4 HB3 LYS 31 - HB2 ARG 23 far 5 97 5 - 3.6-20.4 HB3 LYS 24 - HB2 ARG 23 far 0 98 0 - 4.7-7.6 HB3 LYS 19 - HB2 ARG 23 far 0 97 0 - 5.1-13.2 HB2 LYS 36 - HB2 ARG 23 far 0 99 0 - 5.9-26.6 HB ILE 32 - HB2 ARG 23 far 0 100 0 - 7.8-20.0 Violated in 0 structures by 0.00 A. Peak 429 from cnoeabs.peaks (1.57, 1.75, 30.64 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG13 ILE 37 - HB2 ARG 23 far 0 93 0 - 7.8-26.6 Violated in 0 structures by 0.00 A. Peak 430 from cnoeabs.peaks (1.63, 1.75, 30.64 ppm; 3.32 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 98 - HB2 ARG 23 far 3 68 5 - 4.5-37.2 HB3 LEU 22 - HB2 ARG 23 far 0 98 0 - 5.1-7.1 HG LEU 22 - HB2 ARG 23 far 0 98 0 - 5.4-8.0 HD2 LYS 19 - HB2 ARG 23 far 0 76 0 - 6.4-15.0 HD3 LYS 19 - HB2 ARG 23 far 0 76 0 - 8.0-15.0 Violated in 0 structures by 0.00 A. Peak 431 from cnoeabs.peaks (3.17, 1.75, 30.64 ppm; 4.39 A): 2 out of 6 assignments used, quality = 1.00: HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 * HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB3 HIS 6 - HB2 ARG 23 far 0 100 0 - 7.5-35.1 HB2 HIS 10 - HB2 ARG 23 far 0 99 0 - 7.6-22.0 HB2 HIS 6 - HB2 ARG 23 far 0 96 0 - 8.0-33.4 HB3 HIS 7 - HB2 ARG 23 far 0 93 0 - 8.6-32.6 Violated in 0 structures by 0.00 A. Peak 432 from cnoeabs.peaks (3.17, 1.75, 30.64 ppm; 4.39 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB3 HIS 6 - HB2 ARG 23 far 0 100 0 - 7.5-35.1 HB2 HIS 10 - HB2 ARG 23 far 0 99 0 - 7.6-22.0 HB2 HIS 6 - HB2 ARG 23 far 0 96 0 - 8.0-33.4 HB3 HIS 7 - HB2 ARG 23 far 0 93 0 - 8.6-32.6 Violated in 0 structures by 0.00 A. Peak 433 from cnoeabs.peaks (8.37, 1.75, 30.64 ppm; 4.33 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 24 + HB2 ARG 23 OK 100 100 100 100 3.1-4.7 4.2=100 H LYS 26 - HB2 ARG 23 poor 10 100 30 33 2.9-9.6 6245/6232=10, 442/1.8=10...(8) H GLN 27 - HB2 ARG 23 lone 2 85 30 6 3.5-11.0 5.0/834=2, 442/1.8=1, 5.0/628=1 H ASP 35 - HB2 ARG 23 far 0 89 0 - 6.2-28.4 H LYS 19 - HB2 ARG 23 far 0 83 0 - 6.9-12.5 H GLY 14 - HB2 ARG 23 far 0 100 0 - 9.0-18.6 Violated in 11 structures by 0.12 A. Peak 434 from cnoeabs.peaks (8.24, 1.82, 30.64 ppm; 3.37 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.7-4.0 6204=100, 6203/1.8=84...(10) H ALA 29 - HB3 ARG 23 far 10 100 10 - 4.6-14.2 H SER 107 - HB3 ARG 23 far 5 97 5 - 4.4-36.5 H LYS 31 - HB3 ARG 23 far 5 96 5 - 4.8-17.9 H GLU 30 - HB3 ARG 23 far 4 89 5 - 4.1-16.0 H SER 33 - HB3 ARG 23 far 0 95 0 - 6.4-22.6 Violated in 18 structures by 0.31 A. Peak 435 from cnoeabs.peaks (4.29, 1.82, 30.64 ppm; 3.39 A): 1 out of 15 assignments used, quality = 1.00: * HA ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HA THR 25 - HB3 ARG 23 far 10 100 10 - 4.7-8.6 HA LYS 26 - HB3 ARG 23 far 9 89 10 - 4.4-10.8 HA LEU 22 - HB3 ARG 23 far 9 87 10 - 4.5-6.6 HA ALA 109 - HB3 ARG 23 far 5 98 5 - 4.7-42.3 HA LYS 36 - HB3 ARG 23 far 5 97 5 - 4.0-26.9 HA ALA 21 - HB3 ARG 23 far 0 100 0 - 5.1-8.6 HA ALA 110 - HB3 ARG 23 far 0 100 0 - 5.2-43.4 HA LYS 19 - HB3 ARG 23 far 0 85 0 - 5.9-12.8 HA ALA 108 - HB3 ARG 23 far 0 98 0 - 6.5-39.9 HA LYS 31 - HB3 ARG 23 far 0 98 0 - 7.1-20.6 HA THR 18 - HB3 ARG 23 far 0 99 0 - 8.0-12.4 HA ALA 15 - HB3 ARG 23 far 0 100 0 - 8.3-17.6 HA GLN 61 - HB3 ARG 23 far 0 100 0 - 8.3-23.5 HA ALA 16 - HB3 ARG 23 far 0 97 0 - 8.5-17.0 Violated in 0 structures by 0.00 A. Peak 436 from cnoeabs.peaks (1.75, 1.82, 30.64 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 26 - HB3 ARG 23 far 15 100 15 - 2.2-12.8 HB2 LYS 24 - HB3 ARG 23 far 0 99 0 - 5.2-7.4 HB2 LYS 31 - HB3 ARG 23 far 0 96 0 - 5.4-20.6 HB2 LYS 19 - HB3 ARG 23 far 0 100 0 - 6.1-14.6 HB2 LEU 48 - HB3 ARG 23 far 0 68 0 - 9.0-29.0 Violated in 0 structures by 0.00 A. Peak 437 from cnoeabs.peaks (1.82, 1.82, 30.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 Peak 438 from cnoeabs.peaks (1.57, 1.82, 30.64 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG13 ILE 37 - HB3 ARG 23 far 0 93 0 - 7.0-26.6 HG LEU 103 - HB3 ARG 23 far 0 85 0 - 8.7-31.3 Violated in 0 structures by 0.00 A. Peak 439 from cnoeabs.peaks (1.63, 1.82, 30.64 ppm; 3.18 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 22 - HB3 ARG 23 far 0 98 0 - 5.3-7.2 HB2 LEU 98 - HB3 ARG 23 far 0 68 0 - 5.6-36.2 HG LEU 22 - HB3 ARG 23 far 0 98 0 - 6.2-8.2 HD2 LYS 19 - HB3 ARG 23 far 0 76 0 - 6.8-14.2 HD3 LYS 19 - HB3 ARG 23 far 0 76 0 - 8.0-15.9 Violated in 0 structures by 0.00 A. Peak 440 from cnoeabs.peaks (3.17, 1.82, 30.64 ppm; 4.41 A): 2 out of 6 assignments used, quality = 1.00: HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 1.9-4.1 3.7=100 * HD2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.0-4.0 3.7=100 HB3 HIS 7 - HB3 ARG 23 far 0 93 0 - 7.1-33.6 HB2 HIS 10 - HB3 ARG 23 far 0 99 0 - 7.1-23.1 HB3 HIS 6 - HB3 ARG 23 far 0 100 0 - 9.2-36.0 HB2 HIS 6 - HB3 ARG 23 far 0 96 0 - 9.6-34.4 Violated in 0 structures by 0.00 A. Peak 441 from cnoeabs.peaks (3.17, 1.82, 30.64 ppm; 4.41 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 1.9-4.1 3.7=100 HD2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.0-4.0 3.7=100 HB3 HIS 7 - HB3 ARG 23 far 0 93 0 - 7.1-33.6 HB2 HIS 10 - HB3 ARG 23 far 0 99 0 - 7.1-23.1 HB3 HIS 6 - HB3 ARG 23 far 0 100 0 - 9.2-36.0 HB2 HIS 6 - HB3 ARG 23 far 0 96 0 - 9.6-34.4 Violated in 0 structures by 0.00 A. Peak 442 from cnoeabs.peaks (8.37, 1.82, 30.64 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 24 + HB3 ARG 23 OK 100 100 100 100 4.0-4.6 4.2=100 H LYS 26 - HB3 ARG 23 poor 14 100 45 32 3.4-10.1 6245/6233=12, 433/1.8=7...(7) H ASP 35 - HB3 ARG 23 far 4 89 5 - 5.7-28.3 H GLN 27 - HB3 ARG 23 lone 2 85 35 7 3.1-11.0 5.0/835=1, 6263=1...(4) H LYS 19 - HB3 ARG 23 far 0 83 0 - 8.2-13.5 H GLY 14 - HB3 ARG 23 far 0 100 0 - 9.1-20.1 H THR 65 - HB3 ARG 23 far 0 97 0 - 9.7-22.8 Violated in 12 structures by 0.10 A. Peak 443 from cnoeabs.peaks (8.24, 1.57, 26.98 ppm; 4.27 A): 2 out of 15 assignments used, quality = 1.00: * H ARG 23 + HG2 ARG 23 OK 100 100 100 100 1.9-3.3 6205=100, 6203/3.0=86...(21) H LEU 123 + HG LEU 123 OK 66 66 100 100 2.2-4.6 4.6=80, 3944/2.1=65...(24) H SER 107 - HG LEU 103 poor 9 31 30 - 4.3-9.7 H ALA 29 - HG2 ARG 23 far 5 100 5 - 5.2-15.2 H LYS 31 - HG2 ARG 23 far 0 96 0 - 6.1-19.4 H SER 107 - HG2 ARG 23 far 0 97 0 - 6.1-38.4 H GLU 30 - HG2 ARG 23 far 0 89 0 - 6.2-17.6 H ALA 29 - HG LEU 49 far 0 100 0 - 6.8-19.1 H LEU 123 - HG LEU 49 far 0 92 0 - 7.1-10.7 H SER 33 - HG2 ARG 23 far 0 95 0 - 7.2-24.5 H LEU 123 - HG LEU 103 far 0 29 0 - 7.7-10.6 H ALA 29 - HG LEU 103 far 0 34 0 - 8.0-20.4 H GLU 30 - HG LEU 49 far 0 88 0 - 8.4-18.9 H ASP 131 - HG LEU 49 far 0 70 0 - 8.7-10.7 H LEU 96 - HG LEU 123 far 0 39 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 444 from cnoeabs.peaks (4.29, 1.57, 26.98 ppm; 3.80 A): 2 out of 31 assignments used, quality = 1.00: * HA ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.8 3.8=100 HA LEU 22 + HG2 ARG 23 OK 50 87 65 88 3.6-5.9 375/6205=52, 370=20...(25) HA ALA 21 - HG2 ARG 23 poor 10 100 45 23 3.5-7.6 3.0/1564=10, 453/1.8=4...(8) HA ALA 108 - HG LEU 103 poor 6 32 20 - 1.9-10.6 HA LYS 19 - HG2 ARG 23 far 4 85 5 - 4.1-11.4 HA ALA 109 - HG LEU 103 far 0 32 0 - 5.5-11.5 HA ALA 108 - HG2 ARG 23 far 0 98 0 - 5.6-41.9 HA LYS 36 - HG2 ARG 23 far 0 97 0 - 6.2-29.5 HA THR 25 - HG2 ARG 23 far 0 100 0 - 6.3-9.2 HA LYS 26 - HG2 ARG 23 far 0 89 0 - 6.5-11.2 HA ALA 15 - HG2 ARG 23 far 0 100 0 - 6.7-18.1 HA ALA 110 - HG2 ARG 23 far 0 100 0 - 6.8-45.1 HA ALA 110 - HG LEU 103 far 0 34 0 - 6.9-13.7 HA THR 25 - HG LEU 49 far 0 99 0 - 7.2-23.7 HA ALA 109 - HG2 ARG 23 far 0 98 0 - 7.2-44.1 HA GLN 61 - HG2 ARG 23 far 0 100 0 - 7.2-24.8 HA THR 18 - HG2 ARG 23 far 0 99 0 - 7.3-11.7 HA LYS 31 - HG2 ARG 23 far 0 98 0 - 7.4-22.1 HA ALA 16 - HG2 ARG 23 far 0 97 0 - 8.2-16.9 HA GLN 61 - HG LEU 123 far 0 75 0 - 8.3-14.8 HA LYS 36 - HG LEU 49 far 0 96 0 - 8.5-18.3 HA LYS 26 - HG LEU 103 far 0 26 0 - 8.8-25.0 HA ALA 12 - HG2 ARG 23 far 0 100 0 - 8.9-18.7 HA ALA 16 - HG LEU 123 far 0 71 0 - 9.2-38.9 HB THR 115 - HG LEU 103 far 0 30 0 - 9.2-14.0 HA GLN 61 - HG LEU 103 far 0 33 0 - 9.2-11.5 HA ALA 15 - HG LEU 103 far 0 34 0 - 9.4-44.3 HA LYS 26 - HG LEU 49 far 0 88 0 - 9.4-22.2 HA GLN 61 - HG LEU 49 far 0 99 0 - 9.6-12.3 HA THR 25 - HG LEU 123 far 0 75 0 - 9.8-23.4 HA ARG 23 - HG LEU 103 far 0 34 0 - 10.0-30.7 Violated in 0 structures by 0.00 A. Peak 445 from cnoeabs.peaks (1.75, 1.57, 26.98 ppm; 3.06 A): 1 out of 16 assignments used, quality = 1.00: * HB2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 48 - HG LEU 49 poor 19 67 35 79 3.6-6.4 3.1/9205=29, 4.6/6606=19...(22) HB2 LYS 19 - HG2 ARG 23 far 5 100 5 - 3.8-13.1 HB2 LYS 26 - HG2 ARG 23 far 5 100 5 - 4.3-13.1 HG LEU 100 - HG LEU 103 far 3 22 15 - 3.8-7.1 HB2 LYS 31 - HG2 ARG 23 far 0 96 0 - 5.2-22.1 HB2 LYS 24 - HG2 ARG 23 far 0 99 0 - 5.3-8.2 HG LEU 100 - HG LEU 123 far 0 52 0 - 6.7-11.6 HB2 LYS 26 - HG LEU 49 far 0 99 0 - 7.2-21.3 HG LEU 100 - HG LEU 49 far 0 77 0 - 7.4-13.4 HB2 LYS 26 - HG LEU 103 far 0 33 0 - 7.7-23.3 HB2 LYS 19 - HG LEU 49 far 0 99 0 - 7.8-33.7 HB2 LEU 48 - HG2 ARG 23 far 0 68 0 - 7.9-30.1 HB2 LEU 43 - HG LEU 49 far 0 62 0 - 8.7-10.4 HB2 LEU 48 - HG LEU 123 far 0 44 0 - 8.9-14.0 HG13 ILE 129 - HG LEU 49 far 0 96 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 446 from cnoeabs.peaks (1.82, 1.57, 26.98 ppm; 3.05 A): 2 out of 21 assignments used, quality = 1.00: * HB3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 123 + HG LEU 123 OK 55 55 100 100 2.2-2.8 3.0=100 HB3 LYS 26 - HG2 ARG 23 far 5 100 5 - 4.0-13.0 HB3 LYS 19 - HG2 ARG 23 far 5 97 5 - 3.1-12.6 HB3 LYS 31 - HG2 ARG 23 far 0 97 0 - 5.4-21.6 HB3 LYS 24 - HG2 ARG 23 far 0 98 0 - 5.4-8.2 HB3 LEU 122 - HG LEU 123 far 0 39 0 - 5.5-8.5 HB2 LYS 36 - HG2 ARG 23 far 0 99 0 - 5.6-29.1 HB2 LEU 100 - HG LEU 103 far 0 34 0 - 5.8-7.8 HB3 LEU 123 - HG LEU 49 far 0 81 0 - 6.0-9.6 HB3 LYS 26 - HG LEU 103 far 0 34 0 - 6.9-25.0 HB ILE 32 - HG2 ARG 23 far 0 100 0 - 7.0-21.5 HB3 LEU 122 - HG LEU 49 far 0 59 0 - 7.3-11.5 HB2 LEU 100 - HG LEU 123 far 0 76 0 - 7.8-11.3 HB2 LYS 36 - HG LEU 49 far 0 99 0 - 7.9-18.8 HB3 LYS 19 - HG LEU 49 far 0 96 0 - 8.6-33.8 HB3 ARG 23 - HG LEU 103 far 0 34 0 - 8.7-31.3 HB3 LYS 26 - HG LEU 49 far 0 99 0 - 8.8-22.7 HB2 LEU 100 - HG LEU 49 far 0 100 0 - 9.2-13.3 HB ILE 32 - HG LEU 49 far 0 99 0 - 9.3-15.6 HB3 LEU 123 - HG LEU 103 far 0 23 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 447 from cnoeabs.peaks (1.57, 1.57, 26.98 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 ARG 23 + HG2 ARG 23 OK 100 100 - 100 HG LEU 49 + HG LEU 49 OK 100 100 - 100 HG LEU 123 + HG LEU 123 OK 73 73 - 100 HG LEU 103 + HG LEU 103 OK 25 25 - 100 Peak 448 from cnoeabs.peaks (1.63, 1.57, 26.98 ppm; 2.50 A): 2 out of 26 assignments used, quality = 1.00: * HG3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 123 + HG LEU 123 OK 42 48 100 86 2.2-3.0 3.0=57, ~3947=21...(17) HG LEU 62 - HG LEU 123 poor 18 52 35 - 3.1-9.0 HG LEU 122 - HG LEU 123 far 8 54 15 - 3.1-8.0 HB3 LEU 22 - HG2 ARG 23 far 5 98 5 - 3.4-7.3 HG LEU 22 - HG2 ARG 23 far 5 98 5 - 3.4-7.5 HB2 LEU 122 - HG LEU 123 far 0 61 0 - 4.1-8.0 HG LEU 119 - HG LEU 123 far 0 75 0 - 4.7-8.8 HG LEU 62 - HG LEU 103 far 0 22 0 - 4.8-10.5 HG LEU 119 - HG LEU 103 far 0 34 0 - 4.9-10.5 HD2 LYS 19 - HG2 ARG 23 far 0 76 0 - 4.9-14.3 HB2 LEU 123 - HG LEU 49 far 0 72 0 - 5.0-10.1 HB2 LEU 122 - HG LEU 103 far 0 26 0 - 5.2-8.8 HG LEU 122 - HG LEU 103 far 0 23 0 - 5.2-9.4 HD3 LYS 19 - HG2 ARG 23 far 0 76 0 - 6.2-13.2 HG LEU 62 - HG LEU 49 far 0 77 0 - 6.9-10.4 HG LEU 122 - HG LEU 49 far 0 79 0 - 6.9-10.4 HB2 LEU 98 - HG2 ARG 23 far 0 68 0 - 7.0-38.4 HG LEU 70 - HG LEU 49 far 0 92 0 - 8.0-13.9 HG LEU 70 - HG LEU 103 far 0 29 0 - 8.3-12.0 HB2 LEU 123 - HG LEU 103 far 0 20 0 - 8.7-12.6 HB2 LEU 122 - HG LEU 49 far 0 88 0 - 8.8-12.3 HG LEU 70 - HG LEU 123 far 0 66 0 - 9.2-13.6 HG3 ARG 23 - HG LEU 103 far 0 34 0 - 9.4-34.1 HD2 LYS 19 - HG LEU 49 far 0 75 0 - 9.6-35.7 HG LEU 43 - HG LEU 49 far 0 88 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 449 from cnoeabs.peaks (3.17, 1.57, 26.98 ppm; 3.91 A): 2 out of 10 assignments used, quality = 1.00: HD3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 HIS 10 - HG2 ARG 23 far 0 99 0 - 5.6-22.6 HB3 HIS 7 - HG2 ARG 23 far 0 93 0 - 8.3-31.1 HB3 HIS 3 - HG LEU 49 far 0 92 0 - 8.6-63.1 HB2 HIS 6 - HG LEU 49 far 0 95 0 - 8.7-55.7 HB2 HIS 6 - HG2 ARG 23 far 0 96 0 - 9.1-32.3 HB3 HIS 6 - HG2 ARG 23 far 0 100 0 - 9.4-33.8 HB3 HIS 6 - HG LEU 49 far 0 100 0 - 9.5-56.5 HD2 ARG 23 - HG LEU 103 far 0 34 0 - 9.6-31.9 Violated in 0 structures by 0.00 A. Peak 450 from cnoeabs.peaks (3.17, 1.57, 26.98 ppm; 3.91 A): 2 out of 10 assignments used, quality = 1.00: * HD3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 HIS 10 - HG2 ARG 23 far 0 99 0 - 5.6-22.6 HB3 HIS 7 - HG2 ARG 23 far 0 93 0 - 8.3-31.1 HB3 HIS 3 - HG LEU 49 far 0 92 0 - 8.6-63.1 HB2 HIS 6 - HG LEU 49 far 0 95 0 - 8.7-55.7 HB2 HIS 6 - HG2 ARG 23 far 0 96 0 - 9.1-32.3 HB3 HIS 6 - HG2 ARG 23 far 0 100 0 - 9.4-33.8 HB3 HIS 6 - HG LEU 49 far 0 100 0 - 9.5-56.5 HD2 ARG 23 - HG LEU 103 far 0 34 0 - 9.6-31.9 Violated in 0 structures by 0.00 A. Peak 451 from cnoeabs.peaks (8.37, 1.57, 26.98 ppm; 5.81 A): 1 out of 16 assignments used, quality = 1.00: * H LYS 24 + HG2 ARG 23 OK 100 100 100 100 4.0-4.8 4.6=100 H LYS 19 - HG2 ARG 23 poor 17 83 20 - 5.7-12.6 H THR 65 - HG LEU 49 far 14 96 15 - 6.8-8.8 H LYS 26 - HG2 ARG 23 poor 13 100 40 32 5.4-10.6 442/3.0=11, 433/3.0=8...(6) H THR 65 - HG LEU 123 far 7 70 10 - 6.6-12.2 H LYS 26 - HG LEU 49 far 5 100 5 - 6.8-21.3 H ASP 35 - HG2 ARG 23 far 4 89 5 - 7.3-30.2 H GLN 27 - HG LEU 49 far 4 84 5 - 7.3-21.2 H GLN 27 - HG2 ARG 23 lone 2 85 30 7 5.6-12.7 442/3.0=2, 433/3.0=1...(4) H GLN 27 - HG LEU 103 far 0 25 0 - 7.6-24.0 H THR 65 - HG LEU 103 far 0 31 0 - 7.9-10.6 H HIS 3 - HG LEU 123 far 0 71 0 - 8.5-69.2 H THR 65 - HG2 ARG 23 far 0 97 0 - 8.5-24.4 H HIS 3 - HG LEU 49 far 0 97 0 - 8.8-65.8 H GLY 14 - HG2 ARG 23 far 0 100 0 - 9.8-18.6 H LYS 19 - HG LEU 49 far 0 82 0 - 9.9-33.2 Violated in 0 structures by 0.00 A. Peak 452 from cnoeabs.peaks (8.24, 1.63, 26.98 ppm; 4.27 A): 2 out of 20 assignments used, quality = 1.00: * H ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-4.5 6205/1.8=89, 6203/430=88...(22) H ARG 23 + HG LEU 22 OK 83 83 100 100 2.9-4.5 6197/3.0=74, 375/4.3=67...(22) H LEU 96 - HG LEU 70 poor 12 41 30 - 5.4-8.3 H ALA 29 - HG3 ARG 23 far 5 100 5 - 4.6-16.4 H SER 107 - HG3 ARG 23 far 5 97 5 - 4.4-39.3 H ASP 131 - HG LEU 43 far 4 42 10 - 5.3-9.2 H LYS 31 - HG3 ARG 23 far 0 96 0 - 5.8-19.4 H LEU 123 - HG LEU 119 far 0 91 0 - 5.9-7.6 H GLU 30 - HG3 ARG 23 far 0 89 0 - 6.2-17.6 H ALA 29 - HG LEU 70 far 0 80 0 - 6.7-18.7 H SER 33 - HG3 ARG 23 far 0 95 0 - 7.6-24.5 H SER 107 - HG LEU 119 far 0 95 0 - 7.8-14.5 H SER 107 - HG LEU 70 far 0 74 0 - 7.8-13.1 H LEU 123 - HG LEU 70 far 0 70 0 - 8.1-10.8 H ALA 29 - HG LEU 22 far 0 82 0 - 8.2-17.7 H GLU 30 - HG LEU 22 far 0 67 0 - 8.4-19.6 H LYS 31 - HG LEU 22 far 0 75 0 - 8.7-21.1 H GLU 30 - HG LEU 70 far 0 65 0 - 9.2-18.6 H SER 107 - HG LEU 22 far 0 76 0 - 9.2-41.4 H SER 33 - HG LEU 70 far 0 71 0 - 9.5-16.5 Violated in 0 structures by 0.00 A. Peak 453 from cnoeabs.peaks (4.29, 1.63, 26.98 ppm; 4.50 A): 6 out of 46 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.9-4.1 3.8=100 HA LEU 22 + HG LEU 22 OK 66 66 100 100 2.2-4.1 4.3=100 HA LEU 22 + HG3 ARG 23 OK 45 87 60 87 3.9-7.1 375/5.0=48, 444/1.8=34...(14) HA ALA 21 + HG LEU 22 OK 41 82 80 62 3.7-7.2 3.6/6189=36, 401/2.1=11...(8) HA ALA 21 + HG3 ARG 23 OK 22 100 55 41 3.9-8.3 ~1564=12, 3.6/392=11...(9) HA LYS 19 + HG LEU 22 OK 21 64 60 54 2.6-10.7 409/2.1=13, ~10720=8...(15) HA ARG 23 - HG LEU 22 poor 17 83 20 - 5.4-6.6 HA THR 18 - HG LEU 22 poor 16 81 20 - 2.0-11.5 HA ASP 131 - HG LEU 43 far 7 47 15 - 4.1-9.4 HA ALA 110 - HG3 ARG 23 far 5 100 5 - 5.6-46.2 HA ALA 108 - HG3 ARG 23 far 5 98 5 - 4.7-42.7 HA LYS 36 - HG3 ARG 23 far 5 97 5 - 5.1-28.6 HB THR 115 - HG LEU 119 far 5 94 5 - 5.7-9.3 HA LYS 26 - HG3 ARG 23 far 4 89 5 - 5.9-12.3 HA LYS 19 - HG3 ARG 23 far 4 85 5 - 5.1-11.2 HA ALA 12 - HG LEU 22 far 4 83 5 - 5.1-18.4 HA SER 74 - HG LEU 70 far 0 79 0 - 6.0-9.5 HA ALA 109 - HG LEU 119 far 0 97 0 - 6.1-13.4 HA ALA 110 - HG LEU 119 far 0 99 0 - 6.2-14.7 HA GLN 61 - HG3 ARG 23 far 0 100 0 - 6.3-26.1 HA THR 25 - HG3 ARG 23 far 0 100 0 - 6.4-10.0 HA THR 18 - HG3 ARG 23 far 0 99 0 - 6.4-12.0 HA ALA 15 - HG3 ARG 23 far 0 100 0 - 6.4-17.3 HA ALA 108 - HG LEU 22 far 0 78 0 - 6.4-44.6 HA LYS 36 - HG LEU 43 far 0 63 0 - 6.7-13.8 HA ALA 16 - HG3 ARG 23 far 0 97 0 - 6.9-16.3 HA ALA 109 - HG3 ARG 23 far 0 98 0 - 7.0-45.1 HA ALA 15 - HG LEU 22 far 0 83 0 - 7.1-17.0 HA ALA 108 - HG LEU 119 far 0 97 0 - 7.3-15.2 HA ALA 108 - HG LEU 70 far 0 76 0 - 7.3-16.3 HA ALA 110 - HG LEU 22 far 0 83 0 - 7.3-47.7 HA ALA 16 - HG LEU 22 far 0 77 0 - 7.4-15.7 HA PHE 87 - HG2 ARG 84 far 0 56 0 - 7.7-9.7 HA GLN 61 - HG LEU 22 far 0 81 0 - 7.7-28.0 HA LYS 31 - HG LEU 22 far 0 78 0 - 7.8-23.7 HA LYS 31 - HG3 ARG 23 far 0 98 0 - 7.8-22.1 HA LYS 36 - HG LEU 22 far 0 76 0 - 7.9-33.9 HA PHE 87 - HG3 ARG 84 far 0 56 0 - 7.9-9.7 HA ALA 109 - HG LEU 22 far 0 78 0 - 8.0-46.5 HA ALA 12 - HG3 ARG 23 far 0 100 0 - 8.1-18.2 HA TYR 76 - HG LEU 43 far 0 40 0 - 8.8-12.3 HA GLN 61 - HG LEU 119 far 0 99 0 - 9.2-16.5 HA THR 25 - HG LEU 22 far 0 81 0 - 9.2-11.7 HA LYS 26 - HG LEU 22 far 0 67 0 - 9.3-13.8 HA ALA 21 - HG LEU 119 far 0 99 0 - 9.5-37.7 HA LYS 31 - HG LEU 70 far 0 76 0 - 9.5-19.6 Violated in 0 structures by 0.00 A. Peak 454 from cnoeabs.peaks (1.75, 1.63, 26.98 ppm; 3.41 A): 3 out of 22 assignments used, quality = 1.00: * HB2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 43 + HG LEU 43 OK 36 36 100 100 2.3-3.0 3.0=100 HG LEU 100 + HG LEU 70 OK 31 56 60 91 2.7-7.3 ~11115=35, ~9487=29...(22) HB2 LYS 19 - HG LEU 22 far 12 81 15 - 4.8-10.9 HB2 LYS 19 - HG3 ARG 23 far 5 100 5 - 3.7-12.6 HB2 LYS 26 - HG3 ARG 23 far 5 100 5 - 4.8-14.3 HB2 LYS 39 - HG LEU 43 far 3 68 5 - 4.3-7.0 HB2 ARG 23 - HG LEU 22 far 0 83 0 - 5.4-8.0 HB2 LYS 24 - HG LEU 22 far 0 79 0 - 5.8-9.9 HB2 LYS 31 - HG3 ARG 23 far 0 96 0 - 6.2-21.9 HB2 LYS 24 - HG3 ARG 23 far 0 99 0 - 6.6-8.9 HG LEU 100 - HG LEU 119 far 0 76 0 - 6.6-11.3 HG13 ILE 129 - HG LEU 70 far 0 74 0 - 6.9-11.1 HB ILE 80 - HG3 ARG 84 far 0 62 0 - 6.9-11.8 HB2 LYS 26 - HG LEU 22 far 0 81 0 - 7.3-14.9 HB ILE 80 - HG2 ARG 84 far 0 62 0 - 7.8-11.4 HB2 LYS 31 - HG LEU 22 far 0 75 0 - 8.0-23.5 HB2 LEU 48 - HG3 ARG 23 far 0 68 0 - 8.9-30.4 HB2 LEU 48 - HG LEU 22 far 0 50 0 - 8.9-31.1 HB ILE 80 - HG LEU 43 far 0 54 0 - 9.0-13.8 HG3 ARG 90 - HG3 ARG 84 far 0 52 0 - 9.1-14.6 HB2 LYS 26 - HG LEU 43 far 0 68 0 - 9.9-27.0 Violated in 0 structures by 0.00 A. Peak 455 from cnoeabs.peaks (1.82, 1.63, 26.98 ppm; 3.40 A): 4 out of 32 assignments used, quality = 1.00: * HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG3 ARG 84 OK 68 68 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG2 ARG 84 OK 68 68 100 100 2.3-3.0 3.0=100 HB2 LEU 100 + HG LEU 70 OK 65 80 90 90 3.3-6.0 ~11115=24, ~9487=19...(25) HB3 LYS 19 - HG LEU 22 poor 19 76 25 - 3.5-10.7 HB3 ARG 135 - HG3 ARG 84 far 8 77 10 - 4.6-8.6 HB3 LYS 26 - HG3 ARG 23 far 5 100 5 - 4.8-14.3 HB3 LYS 19 - HG3 ARG 23 far 5 97 5 - 3.4-12.2 HB3 ARG 135 - HG2 ARG 84 far 4 77 5 - 4.7-10.1 HB3 LEU 122 - HG LEU 70 far 2 41 5 - 4.9-7.1 HB3 LYS 24 - HG LEU 22 far 0 78 0 - 4.9-9.8 HB2 LYS 86 - HG3 ARG 84 far 0 42 0 - 5.4-8.3 HB3 LYS 31 - HG3 ARG 23 far 0 97 0 - 5.5-21.5 HB2 LYS 36 - HG3 ARG 23 far 0 99 0 - 5.5-28.1 HB2 LYS 86 - HG2 ARG 84 far 0 42 0 - 5.5-8.0 HB VAL 93 - HG LEU 70 far 0 79 0 - 6.2-10.5 HB3 ARG 23 - HG LEU 22 far 0 83 0 - 6.2-8.2 HB3 LYS 24 - HG3 ARG 23 far 0 98 0 - 6.4-8.9 HB3 LEU 123 - HG LEU 119 far 0 80 0 - 6.4-9.2 HB3 LYS 31 - HG LEU 22 far 0 76 0 - 6.9-22.8 HB ILE 32 - HG3 ARG 23 far 0 100 0 - 7.2-21.7 HB3 LEU 122 - HG LEU 119 far 0 58 0 - 7.2-9.8 HB3 LYS 26 - HG LEU 22 far 0 82 0 - 7.9-15.3 HB2 LEU 100 - HG LEU 119 far 0 99 0 - 8.2-11.9 HB2 LYS 36 - HG LEU 43 far 0 68 0 - 8.3-14.1 HB3 ARG 135 - HG LEU 43 far 0 68 0 - 8.4-12.8 HB ILE 32 - HG LEU 70 far 0 79 0 - 8.5-13.8 HB2 LYS 36 - HG LEU 22 far 0 81 0 - 9.1-33.5 HB3 LEU 123 - HG LEU 70 far 0 59 0 - 9.2-13.5 HB2 CYS 79 - HG LEU 43 far 0 57 0 - 9.8-13.0 HB2 LYS 36 - HG LEU 70 far 0 79 0 - 9.9-18.1 HB3 LYS 26 - HG LEU 119 far 0 99 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 456 from cnoeabs.peaks (1.57, 1.63, 26.98 ppm; 2.50 A): 1 out of 16 assignments used, quality = 1.00: * HG2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 23 - HG LEU 22 far 4 83 5 - 3.4-7.5 HG LEU 123 - HG LEU 119 far 0 97 0 - 4.7-8.8 HG LEU 122 - HG LEU 70 far 0 41 0 - 4.8-10.0 HG LEU 103 - HG LEU 119 far 0 83 0 - 4.9-10.5 HG LEU 122 - HG LEU 119 far 0 58 0 - 5.3-8.5 HB2 LEU 103 - HG LEU 119 far 0 99 0 - 5.4-9.2 HG13 ILE 37 - HG3 ARG 23 far 0 93 0 - 6.9-28.7 HG13 ILE 37 - HG LEU 43 far 0 60 0 - 7.4-14.1 HG LEU 49 - HG LEU 70 far 0 80 0 - 8.0-13.9 HG13 ILE 37 - HG LEU 70 far 0 70 0 - 8.1-15.4 HG LEU 103 - HG LEU 70 far 0 62 0 - 8.3-12.0 HB2 LEU 103 - HG LEU 70 far 0 80 0 - 8.4-11.7 HG LEU 123 - HG LEU 70 far 0 77 0 - 9.2-13.6 HG LEU 103 - HG3 ARG 23 far 0 85 0 - 9.4-34.1 HG LEU 49 - HG LEU 43 far 0 69 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 457 from cnoeabs.peaks (1.63, 1.63, 26.98 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 HG LEU 119 + HG LEU 119 OK 99 99 - 100 HG LEU 22 + HG LEU 22 OK 78 78 - 100 HG2 ARG 84 + HG2 ARG 84 OK 72 72 - 100 HG3 ARG 84 + HG3 ARG 84 OK 72 72 - 100 HG LEU 70 + HG LEU 70 OK 70 70 - 100 HG LEU 43 + HG LEU 43 OK 55 55 - 100 Peak 458 from cnoeabs.peaks (3.17, 1.63, 26.98 ppm; 4.83 A): 6 out of 25 assignments used, quality = 1.00: HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.5-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.5-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 poor 17 83 20 - 4.2-9.6 HD2 ARG 23 - HG LEU 22 poor 15 83 25 74 5.5-9.5 6.4/452=16, 4.9/421=11...(25) HB2 HIS 10 - HG3 ARG 23 far 5 99 5 - 5.4-21.0 HB3 HIS 6 - HG LEU 22 far 4 82 5 - 5.5-34.7 HB2 HIS 6 - HG LEU 22 far 4 75 5 - 4.3-33.6 HB3 HIS 6 - HG LEU 43 far 0 69 0 - 6.4-59.4 HB2 HIS 10 - HG LEU 22 far 0 81 0 - 6.6-23.6 HB2 HIS 6 - HG LEU 43 far 0 62 0 - 6.6-57.8 HB3 HIS 3 - HG2 ARG 84 far 0 68 0 - 6.8-76.3 HB3 HIS 3 - HG3 ARG 84 far 0 68 0 - 7.5-77.5 HB3 HIS 7 - HG LEU 43 far 0 60 0 - 8.1-56.2 HB2 HIS 6 - HG3 ARG 23 far 0 96 0 - 8.1-32.0 HB3 HIS 7 - HG3 ARG 23 far 0 93 0 - 8.4-30.9 HB3 HIS 6 - HG3 ARG 23 far 0 100 0 - 9.0-33.6 HD3 ARG 90 - HG2 ARG 84 far 0 78 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 78 0 - 9.7-13.5 HB3 HIS 7 - HG LEU 22 far 0 72 0 - 9.9-33.6 HD3 ARG 90 - HG3 ARG 84 far 0 78 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 78 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 459 from cnoeabs.peaks (3.17, 1.63, 26.98 ppm; 4.83 A): 6 out of 25 assignments used, quality = 1.00: * HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 40 40 100 100 2.5-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 40 40 100 100 2.5-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 poor 17 83 20 - 4.2-9.6 HD2 ARG 23 - HG LEU 22 poor 15 83 25 74 5.5-9.5 6.4/452=16, 4.9/421=11...(25) HB2 HIS 10 - HG3 ARG 23 far 5 99 5 - 5.4-21.0 HB3 HIS 6 - HG LEU 22 far 4 82 5 - 5.5-34.7 HB2 HIS 6 - HG LEU 22 far 4 75 5 - 4.3-33.6 HB3 HIS 6 - HG LEU 43 far 0 69 0 - 6.4-59.4 HB2 HIS 10 - HG LEU 22 far 0 81 0 - 6.6-23.6 HB2 HIS 6 - HG LEU 43 far 0 62 0 - 6.6-57.8 HB3 HIS 3 - HG2 ARG 84 far 0 68 0 - 6.8-76.3 HB3 HIS 3 - HG3 ARG 84 far 0 68 0 - 7.5-77.5 HB3 HIS 7 - HG LEU 43 far 0 60 0 - 8.1-56.2 HB2 HIS 6 - HG3 ARG 23 far 0 96 0 - 8.1-32.0 HB3 HIS 7 - HG3 ARG 23 far 0 93 0 - 8.4-30.9 HB3 HIS 6 - HG3 ARG 23 far 0 100 0 - 9.0-33.6 HD3 ARG 90 - HG2 ARG 84 far 0 78 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 78 0 - 9.7-13.5 HB3 HIS 7 - HG LEU 22 far 0 72 0 - 9.9-33.6 HD3 ARG 90 - HG3 ARG 84 far 0 78 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 78 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 460 from cnoeabs.peaks (8.37, 1.63, 26.98 ppm; 5.67 A): 5 out of 21 assignments used, quality = 1.00: * H LYS 24 + HG3 ARG 23 OK 100 100 100 100 4.6-5.9 4.6=100 H LYS 24 + HG LEU 22 OK 75 83 100 91 4.7-6.6 10733/2.1=53...(7) H LYS 86 + HG3 ARG 84 OK 31 40 100 77 3.9-6.6 7098/4.6=36...(14) H LYS 86 + HG2 ARG 84 OK 30 40 100 76 4.0-6.5 7098/4.6=36...(15) H LYS 19 + HG LEU 22 OK 25 62 60 66 4.1-10.9 ~409=15, ~409=13...(14) H LYS 26 - HG3 ARG 23 poor 14 100 35 40 5.8-11.6 442/3.0=11, 451/1.8=9...(7) H LYS 19 - HG3 ARG 23 far 12 83 15 - 6.2-12.0 H ASP 35 - HG3 ARG 23 far 4 89 5 - 5.7-30.1 H LYS 26 - HG LEU 22 far 4 83 5 - 7.2-13.2 H GLY 14 - HG LEU 22 far 4 82 5 - 6.7-17.2 H HIS 3 - HG2 ARG 84 far 4 73 5 - 3.5-79.5 H HIS 3 - HG3 ARG 84 far 4 73 5 - 4.8-80.7 H GLN 27 - HG3 ARG 23 lone 1 85 25 6 5.4-12.7 442/3.0=2, 433/430=1, 451/1.8=1 H GLN 27 - HG LEU 22 far 0 64 0 - 7.2-15.7 H THR 65 - HG LEU 70 far 0 74 0 - 7.5-11.1 H THR 65 - HG3 ARG 23 far 0 97 0 - 8.1-25.5 H THR 65 - HG LEU 119 far 0 95 0 - 8.7-15.5 H GLN 27 - HG LEU 43 far 0 52 0 - 9.6-25.4 H GLY 14 - HG3 ARG 23 far 0 100 0 - 9.7-18.2 H ASP 35 - HG LEU 22 far 0 67 0 - 9.8-32.5 H GLN 27 - HG LEU 70 far 0 62 0 - 10.0-21.3 Violated in 0 structures by 0.00 A. Peak 461 from cnoeabs.peaks (8.24, 3.17, 43.21 ppm; 6.80 A): 2 out of 13 assignments used, quality = 1.00: H ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-5.3 6.4=100 * H ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.9-5.3 6.4=100 H LYS 31 - HD3 ARG 23 poor 19 96 20 - 6.3-20.4 H LYS 31 - HD2 ARG 23 far 14 96 15 - 5.9-20.5 H SER 33 - HD3 ARG 23 far 14 95 15 - 6.4-25.0 H GLU 30 - HD3 ARG 23 far 13 89 15 - 5.8-18.6 H ALA 29 - HD3 ARG 23 far 10 100 10 - 6.0-16.0 H SER 107 - HD2 ARG 23 far 10 97 10 - 5.4-37.2 H GLU 30 - HD2 ARG 23 far 9 89 10 - 6.3-18.6 H SER 107 - HD3 ARG 23 far 5 97 5 - 6.7-38.8 H SER 33 - HD2 ARG 23 lone 1 95 25 3 7.3-25.1 H ALA 29 - HD2 ARG 23 lone 1 100 25 3 6.9-16.2 H LEU 96 - HD3 ARG 90 far 0 51 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 462 from cnoeabs.peaks (4.29, 3.17, 43.21 ppm; 4.16 A): 4 out of 38 assignments used, quality = 1.00: * HA ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-5.1 4.9=63, 3.0/464=37...(26) HA ARG 23 + HD3 ARG 23 OK 100 100 100 100 3.0-5.2 4.9=63, 3.0/464=37...(24) HA PHE 87 + HD2 ARG 90 OK 61 69 100 89 2.6-5.6 2723/3.8=34, 7206/5.9=22...(16) HA PHE 87 + HD3 ARG 90 OK 59 70 95 89 1.9-6.1 2723/3.8=34, 7206/5.9=22...(16) HA ALA 21 - HD3 ARG 23 poor 20 100 20 - 4.2-10.2 HA LEU 22 - HD3 ARG 23 poor 17 87 25 79 4.5-8.1 444/3.0=24, 375/6.4=22...(23) HA LYS 26 - HD3 ARG 23 far 9 89 10 - 5.4-11.9 HA LEU 22 - HD2 ARG 23 far 9 87 10 - 2.9-7.9 HA ALA 21 - HD2 ARG 23 poor 7 100 25 29 3.0-10.1 ~1564=7, ~1564=7...(9) HA THR 25 - HD2 ARG 23 far 5 100 5 - 4.3-10.7 HA LYS 31 - HD2 ARG 23 far 5 98 5 - 5.6-23.3 HA LYS 36 - HD3 ARG 23 far 5 97 5 - 5.6-28.1 HA LYS 26 - HD2 ARG 23 far 4 89 5 - 5.4-12.1 HA LYS 19 - HD3 ARG 23 far 4 85 5 - 5.0-13.6 HA THR 25 - HD3 ARG 23 far 0 100 0 - 6.0-10.9 HA SER 74 - HD3 ARG 90 far 0 92 0 - 6.2-9.4 HA ALA 109 - HD3 ARG 23 far 0 98 0 - 6.5-44.7 HA LYS 19 - HD2 ARG 23 far 0 85 0 - 6.5-13.3 HA LYS 31 - HD3 ARG 23 far 0 98 0 - 6.5-23.2 HA ALA 110 - HD3 ARG 23 far 0 100 0 - 6.7-45.6 HA LYS 36 - HD2 ARG 23 far 0 97 0 - 6.8-28.0 HA ALA 108 - HD2 ARG 23 far 0 98 0 - 6.8-40.8 HA GLN 61 - HD3 ARG 23 far 0 100 0 - 7.1-25.3 HA SER 74 - HD2 ARG 90 far 0 91 0 - 7.1-9.9 HA ALA 15 - HD2 ARG 23 far 0 100 0 - 7.2-19.4 HA ALA 16 - HD2 ARG 23 far 0 97 0 - 7.3-17.6 HA ALA 108 - HD3 ARG 23 far 0 98 0 - 7.5-42.5 HA ALA 110 - HD2 ARG 23 far 0 100 0 - 7.7-43.9 HA ALA 12 - HD2 ARG 23 far 0 100 0 - 7.7-19.6 HA GLN 61 - HD2 ARG 23 far 0 100 0 - 7.7-24.9 HA THR 18 - HD2 ARG 23 far 0 99 0 - 7.8-12.7 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 8.0-20.0 HA ALA 109 - HD2 ARG 23 far 0 98 0 - 8.0-43.1 HA ALA 16 - HD3 ARG 23 far 0 97 0 - 8.0-18.5 HA ALA 12 - HD3 ARG 23 far 0 100 0 - 8.2-20.5 HA THR 18 - HD3 ARG 23 far 0 99 0 - 8.8-13.5 HA TYR 76 - HD3 ARG 90 far 0 58 0 - 9.0-12.5 HA TYR 76 - HD2 ARG 90 far 0 58 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 463 from cnoeabs.peaks (1.75, 3.17, 43.21 ppm; 4.20 A): 4 out of 18 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 * HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 66 66 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 65 65 100 100 2.2-3.0 3.0=100 HB2 LYS 26 - HD3 ARG 23 poor 20 100 20 - 3.2-13.6 HB2 LYS 26 - HD2 ARG 23 poor 15 100 25 61 3.8-13.2 3.0/10729=55, 3.5/11449=11 HB2 LYS 19 - HD3 ARG 23 far 5 100 5 - 5.2-15.1 HB2 LYS 31 - HD2 ARG 23 far 5 96 5 - 3.8-23.2 HB2 LYS 31 - HD3 ARG 23 far 5 96 5 - 4.4-22.9 HB2 LYS 24 - HD2 ARG 23 far 0 99 0 - 5.8-10.0 HB ILE 80 - HD2 ARG 90 far 0 75 0 - 5.9-10.0 HB2 LYS 19 - HD2 ARG 23 far 0 100 0 - 6.2-14.8 HB ILE 80 - HD3 ARG 90 far 0 76 0 - 6.4-11.6 HB2 LYS 24 - HD3 ARG 23 far 0 99 0 - 6.7-10.2 HG13 ILE 129 - HD2 ARG 90 far 0 86 0 - 8.1-10.9 HG13 ILE 129 - HD3 ARG 90 far 0 87 0 - 8.6-10.9 HB2 LEU 48 - HD2 ARG 23 far 0 68 0 - 8.8-31.6 HB2 LEU 48 - HD3 ARG 23 far 0 68 0 - 9.2-30.9 Violated in 0 structures by 0.00 A. Peak 464 from cnoeabs.peaks (1.82, 3.17, 43.21 ppm; 3.81 A): 2 out of 21 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 1.9-4.1 3.7=100 * HB3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.0 3.7=100 HB3 LYS 26 - HD2 ARG 23 poor 20 100 20 - 3.6-13.7 HB3 LYS 26 - HD3 ARG 23 far 15 100 15 - 3.8-13.8 HB2 LYS 86 - HD2 ARG 90 poor 11 53 20 - 4.8-7.9 HB2 LYS 86 - HD3 ARG 90 far 5 54 10 - 4.3-9.1 HB ILE 32 - HD3 ARG 23 far 5 100 5 - 5.2-22.3 HB2 LYS 36 - HD3 ARG 23 far 5 99 5 - 4.3-27.6 HB3 LYS 31 - HD2 ARG 23 far 5 97 5 - 3.4-22.9 HB3 LYS 19 - HD3 ARG 23 far 5 97 5 - 3.8-14.7 HB3 LYS 31 - HD3 ARG 23 far 5 97 5 - 4.0-22.7 HB3 LYS 19 - HD2 ARG 23 far 5 97 5 - 5.1-14.6 HB2 LYS 36 - HD2 ARG 23 far 0 99 0 - 5.6-27.5 HB ILE 32 - HD2 ARG 23 far 0 100 0 - 5.7-22.2 HB VAL 93 - HD3 ARG 90 far 0 92 0 - 5.8-8.9 HB VAL 93 - HD2 ARG 90 far 0 91 0 - 5.9-8.4 HB3 LYS 24 - HD2 ARG 23 far 0 98 0 - 6.1-9.9 HB3 LYS 24 - HD3 ARG 23 far 0 98 0 - 6.7-9.7 HB2 ARG 84 - HD3 ARG 90 far 0 83 0 - 9.4-13.2 HB2 CYS 79 - HD2 ARG 90 far 0 79 0 - 9.8-14.6 HB2 ARG 84 - HD2 ARG 90 far 0 82 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 465 from cnoeabs.peaks (1.57, 3.17, 43.21 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG13 ILE 37 - HD2 ARG 23 far 0 93 0 - 8.6-28.9 HG13 ILE 37 - HD3 ARG 23 far 0 93 0 - 8.7-28.8 HG LEU 103 - HD2 ARG 23 far 0 85 0 - 9.6-31.9 Violated in 0 structures by 0.00 A. Peak 466 from cnoeabs.peaks (1.63, 3.17, 43.21 ppm; 4.11 A): 2 out of 18 assignments used, quality = 1.00: HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 22 - HD3 ARG 23 far 10 98 10 - 4.2-9.6 HB3 LEU 22 - HD3 ARG 23 far 10 98 10 - 4.4-9.1 HB3 LEU 22 - HD2 ARG 23 far 10 98 10 - 4.8-8.8 HG LEU 22 - HD2 ARG 23 far 5 98 5 - 5.5-9.5 HD2 LYS 19 - HD3 ARG 23 far 4 76 5 - 5.3-16.5 HD3 LYS 19 - HD3 ARG 23 far 0 76 0 - 6.3-15.4 HD2 LYS 19 - HD2 ARG 23 far 0 76 0 - 6.4-16.4 HB2 LEU 98 - HD2 ARG 23 far 0 68 0 - 7.5-37.3 HD3 LYS 19 - HD2 ARG 23 far 0 76 0 - 7.6-15.2 HB2 LEU 98 - HD3 ARG 23 far 0 68 0 - 7.7-39.0 HD2 LYS 95 - HD3 ARG 90 far 0 54 0 - 8.3-12.9 HD2 LYS 95 - HD2 ARG 90 far 0 53 0 - 8.5-13.3 HG2 ARG 84 - HD3 ARG 90 far 0 87 0 - 9.6-14.5 HG2 ARG 84 - HD2 ARG 90 far 0 86 0 - 9.7-13.5 HG3 ARG 84 - HD3 ARG 90 far 0 87 0 - 9.9-14.4 HG3 ARG 84 - HD2 ARG 90 far 0 86 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 467 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 * HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 93 93 - 100 HD2 ARG 90 + HD2 ARG 90 OK 92 92 - 100 Peak 468 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 93 93 - 100 HD2 ARG 90 + HD2 ARG 90 OK 92 92 - 100 Reference assignment not found: HD3 ARG 23 - HD2 ARG 23 Peak 470 from cnoeabs.peaks (8.24, 3.17, 43.21 ppm; 6.80 A): 2 out of 13 assignments used, quality = 1.00: * H ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-5.3 6.4=100 H ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.9-5.3 6.4=100 H LYS 31 - HD3 ARG 23 poor 19 96 20 - 6.3-20.4 H LYS 31 - HD2 ARG 23 far 14 96 15 - 5.9-20.5 H SER 33 - HD3 ARG 23 far 14 95 15 - 6.4-25.0 H GLU 30 - HD3 ARG 23 far 13 89 15 - 5.8-18.6 H ALA 29 - HD3 ARG 23 far 10 100 10 - 6.0-16.0 H SER 107 - HD2 ARG 23 far 10 97 10 - 5.4-37.2 H GLU 30 - HD2 ARG 23 far 9 89 10 - 6.3-18.6 H SER 107 - HD3 ARG 23 far 5 97 5 - 6.7-38.8 H SER 33 - HD2 ARG 23 lone 1 95 25 3 7.3-25.1 H ALA 29 - HD2 ARG 23 lone 1 100 25 3 6.9-16.2 H LEU 96 - HD3 ARG 90 far 0 51 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 471 from cnoeabs.peaks (4.29, 3.17, 43.21 ppm; 4.16 A): 4 out of 38 assignments used, quality = 1.00: HA ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-5.1 4.9=63, 3.0/464=37...(26) * HA ARG 23 + HD3 ARG 23 OK 100 100 100 100 3.0-5.2 4.9=63, 3.0/464=37...(24) HA PHE 87 + HD2 ARG 90 OK 61 69 100 89 2.6-5.6 2723/3.8=34, 7206/5.9=22...(16) HA PHE 87 + HD3 ARG 90 OK 59 70 95 89 1.9-6.1 2723/3.8=34, 7206/5.9=22...(16) HA ALA 21 - HD3 ARG 23 poor 20 100 20 - 4.2-10.2 HA LEU 22 - HD3 ARG 23 poor 17 87 25 79 4.5-8.1 444/3.0=24, 375/6.4=22...(23) HA LYS 26 - HD3 ARG 23 far 9 89 10 - 5.4-11.9 HA LEU 22 - HD2 ARG 23 far 9 87 10 - 2.9-7.9 HA ALA 21 - HD2 ARG 23 poor 7 100 25 29 3.0-10.1 ~1564=7, ~1564=7...(9) HA THR 25 - HD2 ARG 23 far 5 100 5 - 4.3-10.7 HA LYS 31 - HD2 ARG 23 far 5 98 5 - 5.6-23.3 HA LYS 36 - HD3 ARG 23 far 5 97 5 - 5.6-28.1 HA LYS 26 - HD2 ARG 23 far 4 89 5 - 5.4-12.1 HA LYS 19 - HD3 ARG 23 far 4 85 5 - 5.0-13.6 HA THR 25 - HD3 ARG 23 far 0 100 0 - 6.0-10.9 HA SER 74 - HD3 ARG 90 far 0 92 0 - 6.2-9.4 HA ALA 109 - HD3 ARG 23 far 0 98 0 - 6.5-44.7 HA LYS 19 - HD2 ARG 23 far 0 85 0 - 6.5-13.3 HA LYS 31 - HD3 ARG 23 far 0 98 0 - 6.5-23.2 HA ALA 110 - HD3 ARG 23 far 0 100 0 - 6.7-45.6 HA LYS 36 - HD2 ARG 23 far 0 97 0 - 6.8-28.0 HA ALA 108 - HD2 ARG 23 far 0 98 0 - 6.8-40.8 HA GLN 61 - HD3 ARG 23 far 0 100 0 - 7.1-25.3 HA SER 74 - HD2 ARG 90 far 0 91 0 - 7.1-9.9 HA ALA 15 - HD2 ARG 23 far 0 100 0 - 7.2-19.4 HA ALA 16 - HD2 ARG 23 far 0 97 0 - 7.3-17.6 HA ALA 108 - HD3 ARG 23 far 0 98 0 - 7.5-42.5 HA ALA 110 - HD2 ARG 23 far 0 100 0 - 7.7-43.9 HA ALA 12 - HD2 ARG 23 far 0 100 0 - 7.7-19.6 HA GLN 61 - HD2 ARG 23 far 0 100 0 - 7.7-24.9 HA THR 18 - HD2 ARG 23 far 0 99 0 - 7.8-12.7 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 8.0-20.0 HA ALA 109 - HD2 ARG 23 far 0 98 0 - 8.0-43.1 HA ALA 16 - HD3 ARG 23 far 0 97 0 - 8.0-18.5 HA ALA 12 - HD3 ARG 23 far 0 100 0 - 8.2-20.5 HA THR 18 - HD3 ARG 23 far 0 99 0 - 8.8-13.5 HA TYR 76 - HD3 ARG 90 far 0 58 0 - 9.0-12.5 HA TYR 76 - HD2 ARG 90 far 0 58 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 472 from cnoeabs.peaks (1.75, 3.17, 43.21 ppm; 4.20 A): 4 out of 18 assignments used, quality = 1.00: * HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 66 66 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 65 65 100 100 2.2-3.0 3.0=100 HB2 LYS 26 - HD3 ARG 23 poor 20 100 20 - 3.2-13.6 HB2 LYS 26 - HD2 ARG 23 poor 15 100 25 61 3.8-13.2 3.0/10729=55, 3.5/11449=11 HB2 LYS 19 - HD3 ARG 23 far 5 100 5 - 5.2-15.1 HB2 LYS 31 - HD2 ARG 23 far 5 96 5 - 3.8-23.2 HB2 LYS 31 - HD3 ARG 23 far 5 96 5 - 4.4-22.9 HB2 LYS 24 - HD2 ARG 23 far 0 99 0 - 5.8-10.0 HB ILE 80 - HD2 ARG 90 far 0 75 0 - 5.9-10.0 HB2 LYS 19 - HD2 ARG 23 far 0 100 0 - 6.2-14.8 HB ILE 80 - HD3 ARG 90 far 0 76 0 - 6.4-11.6 HB2 LYS 24 - HD3 ARG 23 far 0 99 0 - 6.7-10.2 HG13 ILE 129 - HD2 ARG 90 far 0 86 0 - 8.1-10.9 HG13 ILE 129 - HD3 ARG 90 far 0 87 0 - 8.6-10.9 HB2 LEU 48 - HD2 ARG 23 far 0 68 0 - 8.8-31.6 HB2 LEU 48 - HD3 ARG 23 far 0 68 0 - 9.2-30.9 Violated in 0 structures by 0.00 A. Peak 473 from cnoeabs.peaks (1.82, 3.17, 43.21 ppm; 3.81 A): 2 out of 21 assignments used, quality = 1.00: * HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 1.9-4.1 3.7=100 HB3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.0 3.7=100 HB3 LYS 26 - HD2 ARG 23 poor 20 100 20 - 3.6-13.7 HB3 LYS 26 - HD3 ARG 23 far 15 100 15 - 3.8-13.8 HB2 LYS 86 - HD2 ARG 90 poor 11 53 20 - 4.8-7.9 HB2 LYS 86 - HD3 ARG 90 far 5 54 10 - 4.3-9.1 HB ILE 32 - HD3 ARG 23 far 5 100 5 - 5.2-22.3 HB2 LYS 36 - HD3 ARG 23 far 5 99 5 - 4.3-27.6 HB3 LYS 31 - HD2 ARG 23 far 5 97 5 - 3.4-22.9 HB3 LYS 19 - HD3 ARG 23 far 5 97 5 - 3.8-14.7 HB3 LYS 31 - HD3 ARG 23 far 5 97 5 - 4.0-22.7 HB3 LYS 19 - HD2 ARG 23 far 5 97 5 - 5.1-14.6 HB2 LYS 36 - HD2 ARG 23 far 0 99 0 - 5.6-27.5 HB ILE 32 - HD2 ARG 23 far 0 100 0 - 5.7-22.2 HB VAL 93 - HD3 ARG 90 far 0 92 0 - 5.8-8.9 HB VAL 93 - HD2 ARG 90 far 0 91 0 - 5.9-8.4 HB3 LYS 24 - HD2 ARG 23 far 0 98 0 - 6.1-9.9 HB3 LYS 24 - HD3 ARG 23 far 0 98 0 - 6.7-9.7 HB2 ARG 84 - HD3 ARG 90 far 0 83 0 - 9.4-13.2 HB2 CYS 79 - HD2 ARG 90 far 0 79 0 - 9.8-14.6 HB2 ARG 84 - HD2 ARG 90 far 0 82 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 474 from cnoeabs.peaks (1.57, 3.17, 43.21 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG13 ILE 37 - HD2 ARG 23 far 0 93 0 - 8.6-28.9 HG13 ILE 37 - HD3 ARG 23 far 0 93 0 - 8.7-28.8 HG LEU 103 - HD2 ARG 23 far 0 85 0 - 9.6-31.9 Violated in 0 structures by 0.00 A. Peak 475 from cnoeabs.peaks (1.63, 3.17, 43.21 ppm; 4.11 A): 2 out of 18 assignments used, quality = 1.00: * HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 22 - HD3 ARG 23 far 10 98 10 - 4.2-9.6 HB3 LEU 22 - HD3 ARG 23 far 10 98 10 - 4.4-9.1 HB3 LEU 22 - HD2 ARG 23 far 10 98 10 - 4.8-8.8 HG LEU 22 - HD2 ARG 23 far 5 98 5 - 5.5-9.5 HD2 LYS 19 - HD3 ARG 23 far 4 76 5 - 5.3-16.5 HD3 LYS 19 - HD3 ARG 23 far 0 76 0 - 6.3-15.4 HD2 LYS 19 - HD2 ARG 23 far 0 76 0 - 6.4-16.4 HB2 LEU 98 - HD2 ARG 23 far 0 68 0 - 7.5-37.3 HD3 LYS 19 - HD2 ARG 23 far 0 76 0 - 7.6-15.2 HB2 LEU 98 - HD3 ARG 23 far 0 68 0 - 7.7-39.0 HD2 LYS 95 - HD3 ARG 90 far 0 54 0 - 8.3-12.9 HD2 LYS 95 - HD2 ARG 90 far 0 53 0 - 8.5-13.3 HG2 ARG 84 - HD3 ARG 90 far 0 87 0 - 9.6-14.5 HG2 ARG 84 - HD2 ARG 90 far 0 86 0 - 9.7-13.5 HG3 ARG 84 - HD3 ARG 90 far 0 87 0 - 9.9-14.4 HG3 ARG 84 - HD2 ARG 90 far 0 86 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 476 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 93 93 - 100 HD2 ARG 90 + HD2 ARG 90 OK 92 92 - 100 Reference assignment not found: HD2 ARG 23 - HD3 ARG 23 Peak 477 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 93 93 - 100 HD2 ARG 90 + HD2 ARG 90 OK 92 92 - 100 Peak 479 from cnoeabs.peaks (8.37, 4.33, 56.43 ppm; 2.71 A): 1 out of 16 assignments used, quality = 1.00: * H LYS 24 + HA LYS 24 OK 100 100 100 100 2.6-2.9 6219=100, 6228/6231=35...(14) H LYS 26 - HA LYS 24 far 15 100 15 - 3.9-7.0 H GLN 27 - HA LYS 24 far 0 85 0 - 4.2-9.7 H ASP 35 - HA LYS 24 far 0 89 0 - 4.3-25.4 H GLN 27 - HA ASP 47 far 0 65 0 - 4.7-24.2 H LYS 26 - HA ASP 47 far 0 84 0 - 4.9-25.5 H HIS 3 - HA ASP 47 far 0 79 0 - 5.7-69.4 H LYS 19 - HA LYS 24 far 0 83 0 - 5.8-14.6 H THR 65 - HA ASN 59 far 0 88 0 - 6.8-7.7 H GLY 14 - HA LYS 24 far 0 100 0 - 7.2-22.1 H GLN 27 - HA ASN 59 far 0 75 0 - 7.4-21.1 H THR 65 - HA LYS 24 far 0 97 0 - 7.4-22.4 H HIS 3 - HA GLN 134 far 0 45 0 - 7.5-74.1 H LYS 19 - HA ASP 47 far 0 63 0 - 7.8-37.4 H LYS 26 - HA ASN 59 far 0 94 0 - 9.2-22.8 H LYS 86 - HA GLN 134 far 0 23 0 - 9.8-12.9 Violated in 17 structures by 0.11 A. Peak 480 from cnoeabs.peaks (4.33, 4.33, 56.43 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LYS 24 + HA LYS 24 OK 100 100 - 100 HA ASN 59 + HA ASN 59 OK 94 94 - 100 HA ASP 47 + HA ASP 47 OK 81 81 - 100 HA GLN 134 + HA GLN 134 OK 37 37 - 100 Peak 481 from cnoeabs.peaks (1.75, 4.33, 56.43 ppm; 3.12 A): 2 out of 17 assignments used, quality = 1.00: * HB2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 23 + HA LYS 24 OK 21 99 30 72 4.1-6.2 4.2/6219=35, ~424=14...(9) HB2 LYS 26 - HA ASP 47 far 4 84 5 - 3.8-24.7 HB2 LYS 39 - HA GLN 134 far 4 41 10 - 3.6-10.8 HB2 LEU 43 - HA GLN 134 far 2 34 5 - 4.5-8.1 HB2 LYS 26 - HA LYS 24 far 0 100 0 - 5.7-9.7 HB2 LYS 19 - HA LYS 24 far 0 100 0 - 6.0-15.1 HB2 LEU 43 - HA ASP 47 far 0 63 0 - 6.0-7.6 HB2 LYS 19 - HA ASP 47 far 0 84 0 - 6.0-37.8 HB2 LYS 31 - HA LYS 24 far 0 100 0 - 6.1-17.4 HB2 LYS 26 - HA ASN 59 far 0 94 0 - 7.1-20.7 HG LEU 100 - HA ASN 59 far 0 49 0 - 7.4-9.7 HB2 LYS 39 - HA LYS 24 far 0 93 0 - 7.5-31.8 HB2 LEU 43 - HA LYS 24 far 0 83 0 - 7.9-31.9 HB ILE 80 - HA GLN 134 far 0 45 0 - 8.2-12.2 HB2 ARG 23 - HA ASN 59 far 0 91 0 - 9.3-30.9 HB2 LYS 19 - HA ASN 59 far 0 94 0 - 9.6-37.9 Violated in 0 structures by 0.00 A. Peak 482 from cnoeabs.peaks (1.81, 4.33, 56.43 ppm; 2.79 A): 1 out of 20 assignments used, quality = 1.00: * HB3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.3-3.0 502=94, 1.8/491=62...(28) HB2 LYS 36 - HA LYS 24 far 5 100 5 - 2.6-26.7 HB3 LYS 19 - HA LYS 24 far 5 100 5 - 4.3-14.3 HB3 LEU 98 - HA LYS 24 far 3 60 5 - 3.5-33.6 HB3 ARG 23 - HA LYS 24 far 0 98 0 - 4.4-5.8 HB3 LYS 26 - HA ASP 47 far 0 83 0 - 5.0-26.0 HB3 LYS 31 - HA LYS 24 far 0 100 0 - 5.2-16.9 HB3 LYS 26 - HA LYS 24 far 0 100 0 - 5.3-9.7 HB3 ARG 135 - HA GLN 134 far 0 48 0 - 5.6-6.6 HB ILE 32 - HA LYS 24 far 0 100 0 - 5.8-17.4 HB3 LYS 19 - HA ASP 47 far 0 84 0 - 6.7-37.9 HB3 LEU 103 - HA ASN 59 far 0 71 0 - 6.9-8.4 HB3 LYS 26 - HA ASN 59 far 0 93 0 - 7.2-22.2 HB3 LEU 123 - HA ASN 59 far 0 61 0 - 8.4-13.9 HB3 LEU 123 - HA ASP 47 far 0 52 0 - 8.5-11.5 HB3 LEU 122 - HA LYS 24 far 0 83 0 - 8.7-28.6 HB3 LYS 19 - HA ASN 59 far 0 94 0 - 8.8-36.7 HB2 LEU 100 - HA ASN 59 far 0 91 0 - 9.1-11.0 HB3 LEU 122 - HA ASN 59 far 0 73 0 - 9.4-12.0 HB3 ARG 23 - HA ASN 59 far 0 90 0 - 9.8-29.5 Violated in 8 structures by 0.05 A. Peak 483 from cnoeabs.peaks (1.38, 4.33, 56.43 ppm; 3.15 A): 1 out of 36 assignments used, quality = 1.00: * HG2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.0-4.2 513=89, 1.8/484=62...(32) QB ALA 28 - HA LYS 24 far 15 100 15 - 1.8-11.7 HG3 LYS 26 - HA LYS 24 far 10 100 10 - 3.3-9.6 HG3 LYS 31 - HA LYS 24 far 10 97 10 - 3.7-16.5 QB ALA 110 - HA ASN 59 far 9 94 10 - 3.5-14.4 QB ALA 108 - HA ASN 59 far 9 93 10 - 3.8-12.4 QB ALA 29 - HA LYS 24 far 5 100 5 - 3.0-12.6 QB ALA 108 - HA LYS 24 far 5 100 5 - 3.7-31.5 QB ALA 109 - HA ASN 59 far 5 90 5 - 3.7-12.6 HG3 LYS 26 - HA ASP 47 far 4 84 5 - 3.8-25.9 QB ALA 15 - HA LYS 24 far 0 100 0 - 4.8-16.2 HG2 LYS 36 - HA LYS 24 far 0 100 0 - 4.9-24.6 QB ALA 109 - HA LYS 24 far 0 98 0 - 5.5-33.3 HG2 LYS 19 - HA LYS 24 far 0 92 0 - 5.7-16.5 HG3 LYS 95 - HA LYS 24 far 0 99 0 - 5.9-34.3 HB2 LEU 42 - HA GLN 134 far 0 48 0 - 6.0-10.1 QB ALA 16 - HA LYS 24 far 0 71 0 - 6.5-16.3 QB ALA 29 - HA ASP 47 far 0 84 0 - 6.7-17.8 HG2 LYS 19 - HA ASP 47 far 0 72 0 - 7.1-40.0 QB ALA 28 - HA ASN 59 far 0 93 0 - 7.2-18.5 HG2 LYS 95 - HA LYS 24 far 0 99 0 - 7.2-34.2 QB ALA 12 - HA LYS 24 far 0 83 0 - 7.3-16.0 QB ALA 16 - HA ASN 59 far 0 62 0 - 7.5-31.8 QB ALA 15 - HA ASP 47 far 0 84 0 - 7.5-31.1 QB ALA 29 - HA ASN 59 far 0 94 0 - 7.5-14.4 HB3 LEU 100 - HA ASN 59 far 0 94 0 - 7.6-10.0 QB ALA 12 - HA ASN 59 far 0 73 0 - 7.8-36.1 HG3 LYS 26 - HA ASN 59 far 0 94 0 - 7.9-22.8 QB ALA 110 - HA LYS 24 far 0 100 0 - 8.2-36.4 QB ALA 28 - HA ASP 47 far 0 83 0 - 8.3-20.8 HB2 LEU 42 - HA LYS 24 far 0 100 0 - 8.7-28.4 HG2 LYS 19 - HA ASN 59 far 0 83 0 - 9.0-39.5 HB2 LEU 42 - HA ASP 47 far 0 84 0 - 9.2-11.3 QB ALA 15 - HA ASN 59 far 0 94 0 - 9.5-35.5 QB ALA 16 - HA ASP 47 far 0 53 0 - 9.7-29.6 HG LEU 96 - HA LYS 24 far 0 87 0 - 10.0-28.3 Violated in 11 structures by 0.29 A. Peak 484 from cnoeabs.peaks (1.45, 4.33, 56.43 ppm; 3.69 A): 1 out of 12 assignments used, quality = 1.00: * HG3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.0-4.2 524=100, 1.8/483=89...(34) HG2 LYS 31 - HA LYS 24 far 10 100 10 - 3.7-16.9 HG2 LYS 26 - HA LYS 24 far 9 95 10 - 4.0-10.3 HG13 ILE 32 - HA LYS 24 far 5 99 5 - 3.6-15.3 HG3 LYS 36 - HA LYS 24 far 4 81 5 - 4.2-25.1 HG2 LYS 26 - HA ASP 47 far 4 75 5 - 3.4-26.3 QB ALA 34 - HA LYS 24 far 0 65 0 - 5.3-21.2 HG3 LYS 19 - HA ASP 47 far 0 84 0 - 5.4-40.0 HG3 LYS 19 - HA LYS 24 far 0 100 0 - 5.6-16.0 HG2 LYS 26 - HA ASN 59 far 0 86 0 - 7.5-23.3 QB ALA 92 - HA ASP 47 far 0 70 0 - 9.6-12.2 QB ALA 34 - HA GLN 134 far 0 25 0 - 9.6-16.8 Violated in 11 structures by 0.18 A. Peak 485 from cnoeabs.peaks (1.66, 4.33, 56.43 ppm; 3.64 A): 3 out of 36 assignments used, quality = 1.00: HD3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.2-5.0 3.0/483=67, 3.0/484=60...(30) * HD2 LYS 24 + HA LYS 24 OK 95 100 95 100 2.5-5.5 3.0/483=67, 3.0/484=60...(30) HG LEU 62 + HA ASN 59 OK 85 86 100 99 3.6-5.1 2.1/9388=65, 3.0/1880=54...(23) HG LEU 43 - HA GLN 134 poor 19 37 55 96 3.8-6.9 10572/11761=30...(19) HD2 LYS 39 - HA GLN 134 poor 19 38 50 - 3.3-9.6 HD2 LYS 31 - HA LYS 24 far 10 100 10 - 3.4-16.8 HD2 LYS 26 - HA LYS 24 far 10 100 10 - 4.2-10.7 HD3 LYS 19 - HA LYS 24 far 10 96 10 - 4.4-16.0 HD3 LYS 31 - HA LYS 24 far 5 100 5 - 4.9-18.1 HB2 LEU 98 - HA LYS 24 far 5 98 5 - 2.5-34.9 HD2 LYS 36 - HA LYS 24 far 5 98 5 - 3.2-22.6 HD3 LYS 36 - HA LYS 24 far 5 98 5 - 4.9-23.1 HD3 LYS 26 - HA LYS 24 far 0 100 0 - 5.5-10.1 HD2 LYS 26 - HA ASP 47 far 0 84 0 - 5.8-27.9 HD3 LYS 26 - HA ASP 47 far 0 84 0 - 6.1-27.8 HD2 LYS 19 - HA LYS 24 far 0 96 0 - 6.1-15.5 HD2 LYS 19 - HA ASP 47 far 0 76 0 - 6.6-39.9 HB2 LEU 123 - HA ASN 59 far 0 88 0 - 7.2-12.3 HB2 LEU 69 - HA ASP 47 far 0 81 0 - 7.5-10.9 HD2 LYS 39 - HA LYS 24 far 0 89 0 - 7.5-34.8 HD3 LYS 26 - HA ASN 59 far 0 94 0 - 7.7-23.3 HG LEU 43 - HA ASP 47 far 0 67 0 - 7.7-9.6 HD3 LYS 19 - HA ASP 47 far 0 76 0 - 8.1-41.4 HB2 LEU 123 - HA ASP 47 far 0 78 0 - 8.3-12.2 HD3 LYS 95 - HA LYS 24 far 0 100 0 - 8.5-33.8 HD2 LYS 95 - HA LYS 24 far 0 99 0 - 8.5-35.3 HD2 LYS 24 - HA ASP 47 far 0 84 0 - 8.6-31.6 HD2 LYS 26 - HA ASN 59 far 0 94 0 - 9.1-23.9 HD3 LYS 24 - HA ASP 47 far 0 84 0 - 9.3-30.3 HD2 LYS 19 - HA ASN 59 far 0 87 0 - 9.4-38.8 HD3 LYS 36 - HA ASP 47 far 0 80 0 - 9.4-18.3 HD3 LYS 24 - HA GLN 134 far 0 48 0 - 9.6-34.6 QB ALA 88 - HA GLN 134 far 0 49 0 - 9.6-11.1 HG3 ARG 84 - HA GLN 134 far 0 29 0 - 9.7-14.1 HG2 ARG 84 - HA GLN 134 far 0 29 0 - 9.9-15.4 HD2 LYS 36 - HA ASP 47 far 0 80 0 - 9.9-18.5 Violated in 2 structures by 0.01 A. Peak 486 from cnoeabs.peaks (1.66, 4.33, 56.43 ppm; 3.64 A): 4 out of 36 assignments used, quality = 1.00: * HD3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.2-5.0 3.0/483=67, 3.0/484=60...(30) HD2 LYS 24 + HA LYS 24 OK 95 100 95 100 2.5-5.5 3.0/483=67, 3.0/484=60...(30) HG LEU 62 + HA ASN 59 OK 86 87 100 99 3.6-5.1 2.1/9388=65, 3.0/1880=54...(23) HG LEU 43 + HA GLN 134 OK 20 38 55 96 3.8-6.9 10572/11761=30...(19) HD2 LYS 39 - HA GLN 134 poor 18 37 50 - 3.3-9.6 HD2 LYS 31 - HA LYS 24 far 10 100 10 - 3.4-16.8 HD2 LYS 26 - HA LYS 24 far 10 100 10 - 4.2-10.7 HD3 LYS 19 - HA LYS 24 far 10 97 10 - 4.4-16.0 HD3 LYS 31 - HA LYS 24 far 5 100 5 - 4.9-18.1 HB2 LEU 98 - HA LYS 24 far 5 99 5 - 2.5-34.9 HD2 LYS 36 - HA LYS 24 far 5 97 5 - 3.2-22.6 HD3 LYS 36 - HA LYS 24 far 5 97 5 - 4.9-23.1 HD3 LYS 26 - HA LYS 24 far 0 100 0 - 5.5-10.1 HD2 LYS 26 - HA ASP 47 far 0 84 0 - 5.8-27.9 HD3 LYS 26 - HA ASP 47 far 0 84 0 - 6.1-27.8 HD2 LYS 19 - HA LYS 24 far 0 97 0 - 6.1-15.5 HD2 LYS 19 - HA ASP 47 far 0 78 0 - 6.6-39.9 HB2 LEU 123 - HA ASN 59 far 0 89 0 - 7.2-12.3 HB2 LEU 69 - HA ASP 47 far 0 80 0 - 7.5-10.9 HD2 LYS 39 - HA LYS 24 far 0 87 0 - 7.5-34.8 HD3 LYS 26 - HA ASN 59 far 0 94 0 - 7.7-23.3 HG LEU 43 - HA ASP 47 far 0 69 0 - 7.7-9.6 HD3 LYS 19 - HA ASP 47 far 0 78 0 - 8.1-41.4 HB2 LEU 123 - HA ASP 47 far 0 79 0 - 8.3-12.2 HD3 LYS 95 - HA LYS 24 far 0 100 0 - 8.5-33.8 HD2 LYS 95 - HA LYS 24 far 0 99 0 - 8.5-35.3 HD2 LYS 24 - HA ASP 47 far 0 84 0 - 8.6-31.6 HD2 LYS 26 - HA ASN 59 far 0 94 0 - 9.1-23.9 HD3 LYS 24 - HA ASP 47 far 0 84 0 - 9.3-30.3 HD2 LYS 19 - HA ASN 59 far 0 88 0 - 9.4-38.8 HD3 LYS 36 - HA ASP 47 far 0 79 0 - 9.4-18.3 HD3 LYS 24 - HA GLN 134 far 0 49 0 - 9.6-34.6 QB ALA 88 - HA GLN 134 far 0 48 0 - 9.6-11.1 HG3 ARG 84 - HA GLN 134 far 0 31 0 - 9.7-14.1 HG2 ARG 84 - HA GLN 134 far 0 31 0 - 9.9-15.4 HD2 LYS 36 - HA ASP 47 far 0 79 0 - 9.9-18.5 Violated in 0 structures by 0.00 A. Peak 489 from cnoeabs.peaks (8.10, 4.33, 56.43 ppm; 3.39 A): 1 out of 11 assignments used, quality = 1.00: * H THR 25 + HA LYS 24 OK 100 100 100 100 2.8-3.6 6231=100, 6228/6219=64...(21) H ALA 109 - HA ASN 59 far 4 73 5 - 4.6-13.1 H ALA 108 - HA ASN 59 far 0 69 0 - 5.0-12.9 HD22 ASN 85 - HA GLN 134 far 0 33 0 - 5.9-11.1 H ALA 108 - HA LYS 24 far 0 78 0 - 7.5-37.6 H ASN 120 - HA ASN 59 far 0 59 0 - 7.6-13.1 H ASN 121 - HA ASN 59 far 0 77 0 - 8.5-14.4 H ALA 109 - HA LYS 24 far 0 83 0 - 8.5-38.5 H LEU 103 - HA ASN 59 far 0 71 0 - 8.8-10.6 H THR 25 - HA ASP 47 far 0 84 0 - 9.0-27.6 H LEU 103 - HA LYS 24 far 0 81 0 - 9.4-32.1 Violated in 16 structures by 0.11 A. Peak 490 from cnoeabs.peaks (8.37, 1.75, 32.73 ppm; 3.41 A): 4 out of 29 assignments used, quality = 1.00: * H LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.1-3.7 6219/491=70, 4.1=59...(21) H LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-3.6 6250=100, 6251/1.8=83...(35) H GLN 27 + HB2 LYS 26 OK 83 84 100 99 1.7-4.6 6262=77, 6263/1.8=58...(18) H LYS 19 + HB2 LYS 19 OK 80 81 100 99 2.2-3.0 6149=74, 6159/6161=36...(38) H LYS 26 - HB2 LYS 31 poor 20 99 20 - 2.5-13.9 H LYS 26 - HB2 LYS 24 far 15 100 15 - 3.6-7.8 H LYS 24 - HB2 LYS 19 far 15 100 15 - 3.7-14.2 H GLN 27 - HB2 LYS 31 far 12 82 15 - 4.5-12.1 H LYS 24 - HB2 LYS 26 far 10 100 10 - 4.2-9.5 H LYS 19 - HB2 LYS 24 far 8 83 10 - 4.0-14.3 H LYS 19 - HB2 LYS 31 far 8 80 10 - 4.4-25.0 H LYS 26 - HB2 LYS 19 far 5 99 5 - 2.7-20.8 H ASP 35 - HB2 LYS 24 far 4 89 5 - 4.1-25.0 H GLN 27 - HB2 LYS 24 far 4 85 5 - 2.7-10.1 H GLY 14 - HB2 LYS 19 lone 0 99 25 1 3.4-16.3 H LYS 24 - HB2 LYS 31 far 0 99 0 - 5.4-18.0 H GLN 27 - HB2 LYS 19 far 0 83 0 - 5.4-21.7 H ASP 35 - HB2 LYS 26 far 0 88 0 - 5.5-20.9 H LYS 19 - HB2 LYS 26 far 0 82 0 - 5.7-22.0 H HIS 3 - HB2 LYS 31 far 0 95 0 - 6.0-49.5 H GLY 14 - HB2 LYS 24 far 0 100 0 - 6.0-21.5 H THR 65 - HB2 LYS 26 far 0 96 0 - 6.1-20.3 H GLY 14 - HB2 LYS 31 far 0 99 0 - 6.5-24.8 H THR 65 - HB2 LYS 24 far 0 97 0 - 6.8-22.0 H THR 65 - HB2 LYS 31 far 0 94 0 - 7.2-19.5 H ASP 35 - HB2 LYS 31 far 0 86 0 - 7.7-11.9 H HIS 3 - HB2 LYS 26 far 0 97 0 - 9.2-55.6 H LYS 19 - HB2 LYS 39 far 0 39 0 - 9.4-38.8 H LYS 24 - HB2 LYS 39 far 0 54 0 - 9.5-30.0 Violated in 0 structures by 0.00 A. Peak 491 from cnoeabs.peaks (4.33, 1.75, 32.73 ppm; 2.92 A): 1 out of 18 assignments used, quality = 1.00: * HA LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=97, 482/1.8=70...(31) HA ASP 47 - HB2 LYS 26 far 5 98 5 - 3.8-24.7 HA GLN 134 - HB2 LYS 39 far 4 41 10 - 3.6-10.8 HA LYS 24 - HB2 LYS 26 far 0 100 0 - 5.7-9.7 HA PRO 81 - HB2 LYS 39 far 0 54 0 - 5.9-12.8 HA LYS 24 - HB2 LYS 19 far 0 100 0 - 6.0-15.1 HA ASP 47 - HB2 LYS 19 far 0 98 0 - 6.0-37.8 HA LYS 24 - HB2 LYS 31 far 0 99 0 - 6.1-17.4 HA TYR 76 - HB2 LYS 39 far 0 35 0 - 6.8-9.6 HA ASN 59 - HB2 LYS 26 far 0 100 0 - 7.1-20.7 HA LYS 24 - HB2 LYS 39 far 0 54 0 - 7.5-31.8 HA2 GLY 75 - HB2 LYS 31 far 0 86 0 - 7.6-23.3 HA ASP 131 - HB2 LYS 39 far 0 29 0 - 7.9-14.5 HA LEU 69 - HB2 LYS 39 far 0 54 0 - 8.8-13.9 HA2 GLY 75 - HB2 LYS 39 far 0 43 0 - 9.5-13.5 HA LEU 69 - HB2 LYS 24 far 0 100 0 - 9.6-22.0 HA ASN 59 - HB2 LYS 19 far 0 99 0 - 9.6-37.9 HA LEU 69 - HB2 LYS 31 far 0 98 0 - 9.8-16.4 Violated in 3 structures by 0.01 A. Peak 492 from cnoeabs.peaks (1.75, 1.75, 32.73 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 HB2 LYS 19 + HB2 LYS 19 OK 99 99 - 100 HB2 LYS 31 + HB2 LYS 31 OK 98 98 - 100 HB2 LYS 39 + HB2 LYS 39 OK 46 46 - 100 Peak 493 from cnoeabs.peaks (1.81, 1.75, 32.73 ppm; 2.50 A): 4 out of 35 assignments used, quality = 1.00: * HB3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB2 LYS 24 far 15 100 15 - 1.9-15.0 HB3 ARG 23 - HB2 LYS 26 far 15 97 15 - 2.2-12.8 HB3 LYS 31 - HB2 LYS 26 poor 14 100 35 41 1.9-14.9 617=3, 6332/799=3...(26) HB3 LYS 26 - HB2 LYS 31 poor 9 98 25 38 2.0-14.1 6332/6331=3, 3.0/639=2...(11) HB2 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.3-29.5 HB3 LYS 31 - HB2 LYS 19 far 5 99 5 - 1.9-25.4 HB3 LYS 26 - HB2 LYS 19 far 5 99 5 - 3.6-22.7 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 4.0-14.4 HB ILE 32 - HB2 LYS 26 far 0 99 0 - 4.3-15.5 HB3 LYS 19 - HB2 LYS 26 far 0 100 0 - 4.5-22.1 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 4.7-10.3 HB3 LYS 19 - HB2 LYS 31 far 0 99 0 - 4.8-27.2 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 4.9-18.1 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 5.0-25.1 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 5.1-20.1 HB3 ARG 23 - HB2 LYS 24 far 0 98 0 - 5.2-7.4 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.2-10.9 HB3 ARG 23 - HB2 LYS 31 far 0 96 0 - 5.4-20.6 HB ILE 32 - HB2 LYS 31 far 0 98 0 - 5.5-7.0 HB3 LEU 98 - HB2 LYS 24 far 0 60 0 - 5.6-33.1 HB2 CYS 79 - HB2 LYS 39 far 0 32 0 - 5.7-8.9 HB3 ARG 23 - HB2 LYS 19 far 0 97 0 - 6.1-14.6 HB3 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.1-18.4 HB2 LYS 36 - HB2 LYS 31 far 0 99 0 - 6.2-14.4 HB3 LEU 103 - HB2 LYS 26 far 0 80 0 - 7.8-23.4 HB3 LEU 98 - HB2 LYS 26 far 0 59 0 - 8.1-28.2 HB ILE 32 - HB2 LYS 19 far 0 99 0 - 8.3-25.2 HB3 ARG 135 - HB2 LYS 39 far 0 54 0 - 8.4-15.3 HB2 LEU 100 - HB2 LYS 26 far 0 98 0 - 8.8-21.4 HB2 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.5-34.1 HB2 CYS 79 - HB2 LYS 19 far 0 69 0 - 9.5-37.6 Violated in 0 structures by 0.00 A. Peak 494 from cnoeabs.peaks (1.38, 1.75, 32.73 ppm; 3.45 A): 5 out of 58 assignments used, quality = 1.00: * HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HB2 LYS 31 OK 94 94 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 90 90 100 100 2.3-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 31 OK 33 99 40 84 2.0-14.6 639=8, 1.8/628=6...(58) HG2 LYS 24 - HB2 LYS 19 poor 20 100 20 - 3.7-16.8 HG2 LYS 19 - HB2 LYS 24 poor 18 92 20 - 3.4-16.9 QB ALA 28 - HB2 LYS 24 far 15 100 15 - 3.6-11.7 QB ALA 15 - HB2 LYS 19 far 15 99 15 - 3.2-11.8 QB ALA 15 - HB2 LYS 31 far 15 99 15 - 2.9-21.5 HG3 LYS 31 - HB2 LYS 26 far 14 96 15 - 3.1-14.0 QB ALA 12 - HB2 LYS 19 far 12 81 15 - 3.2-16.2 QB ALA 16 - HB2 LYS 19 far 10 69 15 - 4.3-10.2 HG3 LYS 31 - HB2 LYS 24 far 10 97 10 - 3.7-17.1 HG3 LYS 31 - HB2 LYS 19 far 10 95 10 - 2.7-23.1 HG2 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.2-11.2 QB ALA 29 - HB2 LYS 24 far 5 100 5 - 4.1-11.9 HG2 LYS 36 - HB2 LYS 24 far 5 100 5 - 4.2-27.3 QB ALA 15 - HB2 LYS 24 far 5 100 5 - 4.0-16.1 QB ALA 108 - HB2 LYS 24 far 5 100 5 - 4.3-30.9 QB ALA 110 - HB2 LYS 26 far 5 100 5 - 4.6-29.1 QB ALA 28 - HB2 LYS 26 far 5 99 5 - 4.9-6.6 QB ALA 108 - HB2 LYS 26 far 5 99 5 - 4.5-25.6 QB ALA 28 - HB2 LYS 31 far 5 98 5 - 3.9-8.1 QB ALA 12 - HB2 LYS 31 far 4 80 5 - 4.2-20.5 QB ALA 16 - HB2 LYS 31 far 3 68 5 - 3.9-22.2 HB2 LEU 42 - HB2 LYS 39 far 3 54 5 - 4.9-6.9 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 5.0-8.6 QB ALA 28 - HB2 LYS 19 far 0 99 0 - 5.0-20.0 HG2 LYS 19 - HB2 LYS 31 far 0 89 0 - 5.2-27.3 QB ALA 110 - HB2 LYS 19 far 0 99 0 - 5.2-44.1 HG3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.4-11.1 HG2 LYS 36 - HB2 LYS 26 far 0 100 0 - 5.5-22.8 HG2 LYS 24 - HB2 LYS 31 far 0 99 0 - 5.6-19.7 QB ALA 29 - HB2 LYS 31 far 0 99 0 - 5.6-7.8 HG3 LYS 26 - HB2 LYS 19 far 0 99 0 - 6.0-22.5 QB ALA 12 - HB2 LYS 24 far 0 83 0 - 6.0-16.8 QB ALA 29 - HB2 LYS 19 far 0 99 0 - 6.4-20.3 HG2 LYS 19 - HB2 LYS 26 far 0 91 0 - 6.4-24.5 HG2 LYS 36 - HB2 LYS 31 far 0 99 0 - 6.5-12.1 QB ALA 109 - HB2 LYS 26 far 0 97 0 - 6.6-26.4 QB ALA 109 - HB2 LYS 24 far 0 98 0 - 6.6-32.7 QB ALA 16 - HB2 LYS 24 far 0 71 0 - 6.8-16.1 HG3 LYS 95 - HB2 LYS 24 far 0 99 0 - 7.0-33.7 QB ALA 109 - HB2 LYS 19 far 0 97 0 - 7.3-41.6 HG2 LYS 36 - HB2 LYS 19 far 0 99 0 - 7.3-32.2 QB ALA 15 - HB2 LYS 26 far 0 100 0 - 7.6-20.4 QB ALA 16 - HB2 LYS 26 far 0 70 0 - 7.8-20.6 HG2 LYS 95 - HB2 LYS 24 far 0 99 0 - 7.9-33.5 HG2 LYS 24 - HB2 LYS 39 far 0 54 0 - 8.0-31.6 QB ALA 12 - HB2 LYS 26 far 0 82 0 - 8.3-21.0 QB ALA 16 - HB2 LYS 39 far 0 32 0 - 8.9-31.7 QB ALA 12 - HB2 LYS 39 far 0 39 0 - 8.9-34.9 QB ALA 108 - HB2 LYS 19 far 0 99 0 - 9.4-40.4 HG2 LYS 36 - HB2 LYS 39 far 0 54 0 - 9.5-14.0 HB3 LEU 100 - HB2 LYS 26 far 0 100 0 - 9.6-21.1 QB ALA 108 - HB2 LYS 31 far 0 98 0 - 9.7-26.1 QB ALA 110 - HB2 LYS 24 far 0 100 0 - 9.9-36.0 Violated in 0 structures by 0.00 A. Peak 495 from cnoeabs.peaks (1.45, 1.75, 32.73 ppm; 3.89 A): 8 out of 33 assignments used, quality = 1.00: * HG3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 38 97 45 88 4.2-6.6 919/4.6=43, 6333/6331=20...(26) HG2 LYS 26 + HB2 LYS 31 OK 31 92 35 95 1.9-15.6 628=8, 629/1.8=8...(122) HG13 ILE 32 + HB2 LYS 26 OK 26 98 40 67 2.7-13.3 919/6343=12...(24) HG2 LYS 31 + HB2 LYS 26 OK 23 99 25 94 3.5-15.2 823=8, 989/1.8=5...(113) HG3 LYS 24 - HB2 LYS 19 poor 19 100 25 78 3.6-16.4 823=6, 822/3.0=4...(30) HG3 LYS 19 - HB2 LYS 24 far 10 100 10 - 2.7-16.0 HG2 LYS 31 - HB2 LYS 24 far 10 100 10 - 4.1-17.7 HG2 LYS 31 - HB2 LYS 19 far 10 99 10 - 3.6-24.3 HG2 LYS 26 - HB2 LYS 24 far 9 95 10 - 5.2-11.5 HG3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.9-11.4 HG3 LYS 19 - HB2 LYS 31 far 5 99 5 - 4.6-28.5 HG3 LYS 36 - HB2 LYS 24 far 4 81 5 - 2.7-27.9 HG3 LYS 36 - HB2 LYS 26 far 4 80 5 - 3.8-23.1 HG3 LYS 36 - HB2 LYS 31 far 4 78 5 - 4.9-12.3 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 5.6-18.1 HG3 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.0-24.0 QB ALA 34 - HB2 LYS 24 far 0 65 0 - 6.0-20.9 HG2 LYS 26 - HB2 LYS 19 far 0 93 0 - 6.0-23.9 QB ALA 34 - HB2 LYS 39 far 0 29 0 - 6.4-12.3 HG13 ILE 32 - HB2 LYS 19 far 0 98 0 - 6.7-23.1 HG3 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.7-18.1 QB ALA 34 - HB2 LYS 26 far 0 64 0 - 7.2-17.5 HG3 LYS 36 - HB2 LYS 19 far 0 79 0 - 7.5-32.1 QB ALA 34 - HB2 LYS 31 far 0 63 0 - 8.9-11.3 QB ALA 34 - HB2 LYS 19 far 0 64 0 - 9.1-28.2 HG3 LYS 86 - HB2 LYS 39 far 0 26 0 - 9.3-14.9 HG2 LYS 86 - HB2 LYS 39 far 0 32 0 - 9.7-16.0 HG3 LYS 24 - HB2 LYS 39 far 0 54 0 - 9.7-30.3 HG3 LYS 19 - HB2 LYS 39 far 0 54 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 496 from cnoeabs.peaks (1.66, 1.75, 32.73 ppm; 4.35 A): 15 out of 55 assignments used, quality = 1.00: * HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.9-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 94 94 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 94 94 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 31 OK 43 99 45 97 2.4-15.6 2.9/639=7, 2.9/628=7...(117) HD2 LYS 39 + HB2 LYS 39 OK 43 43 100 100 2.3-3.5 3.6=100 HD2 LYS 26 + HB2 LYS 31 OK 39 99 40 98 3.3-16.0 2.9/639=7, 2.9/628=7...(145) HD2 LYS 31 + HB2 LYS 26 OK 29 100 30 98 4.5-13.8 10771/10770=15...(175) HG LEU 43 + HB2 LYS 39 OK 29 41 70 98 4.3-7.0 ~11901=46...(20) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 99 4.1-13.7 10771/10770=12...(196) HD3 LYS 24 + HB2 LYS 19 OK 23 99 25 94 4.7-15.4 3.0/823=4, 2632/1.8=3...(136) HD2 LYS 24 - HB2 LYS 19 far 15 100 15 - 3.7-16.1 HD2 LYS 19 - HB2 LYS 24 poor 13 96 30 45 4.1-16.1 294=2, 5.2/790=1...(5) HD3 LYS 19 - HB2 LYS 24 poor 12 96 25 48 2.7-16.8 5.2/790=1, 3.0/514=1...(5) HD3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.0-12.6 HD2 LYS 31 - HB2 LYS 24 far 5 100 5 - 4.7-17.2 HD2 LYS 24 - HB2 LYS 26 far 5 100 5 - 3.6-12.6 HD3 LYS 31 - HB2 LYS 19 far 5 99 5 - 4.6-23.5 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-23.0 HD3 LYS 26 - HB2 LYS 19 far 5 99 5 - 5.6-21.9 HD2 LYS 36 - HB2 LYS 24 far 5 98 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 5 98 5 - 4.2-25.9 HB2 LEU 98 - HB2 LYS 24 far 5 98 5 - 5.1-34.5 HD2 LYS 36 - HB2 LYS 26 far 5 97 5 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 31 far 5 96 5 - 5.5-12.6 HD2 LYS 19 - HB2 LYS 31 far 5 93 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 93 5 - 5.5-29.5 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 0 97 0 - 6.1-21.8 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.2-19.4 HD2 LYS 26 - HB2 LYS 19 far 0 99 0 - 6.2-21.7 HB2 LEU 98 - HB2 LYS 26 far 0 97 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 96 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 95 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 95 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 51 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 54 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 51 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 97 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 89 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 94 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 99 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 48 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 86 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 54 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 54 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 497 from cnoeabs.peaks (1.66, 1.75, 32.73 ppm; 4.35 A): 15 out of 55 assignments used, quality = 1.00: * HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.9-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 31 OK 43 99 45 97 2.4-15.6 2.9/639=7, 2.9/628=7...(117) HD2 LYS 39 + HB2 LYS 39 OK 41 41 100 100 2.3-3.5 3.6=100 HD2 LYS 26 + HB2 LYS 31 OK 39 99 40 98 3.3-16.0 2.9/639=7, 2.9/628=7...(145) HG LEU 43 + HB2 LYS 39 OK 29 43 70 98 4.3-7.0 ~11901=46...(20) HD2 LYS 31 + HB2 LYS 26 OK 29 100 30 98 4.5-13.8 10771/10770=15...(175) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 99 4.1-13.7 10771/10770=12...(196) HD3 LYS 24 + HB2 LYS 19 OK 23 100 25 94 4.7-15.4 3.0/823=4, 2632/1.8=3...(136) HD2 LYS 24 - HB2 LYS 19 far 15 99 15 - 3.7-16.1 HD2 LYS 19 - HB2 LYS 24 poor 13 97 30 45 4.1-16.1 305=2, 5.2/790=1...(5) HD3 LYS 19 - HB2 LYS 24 poor 12 97 25 48 2.7-16.8 5.2/790=1, 3.0/514=1...(5) HD3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.0-12.6 HD2 LYS 31 - HB2 LYS 24 far 5 100 5 - 4.7-17.2 HD2 LYS 24 - HB2 LYS 26 far 5 100 5 - 3.6-12.6 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-23.5 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.1-23.0 HD3 LYS 26 - HB2 LYS 19 far 5 99 5 - 5.6-21.9 HB2 LEU 98 - HB2 LYS 24 far 5 99 5 - 5.1-34.5 HD2 LYS 36 - HB2 LYS 24 far 5 97 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 5 97 5 - 4.2-25.9 HD2 LYS 36 - HB2 LYS 26 far 5 97 5 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 31 far 5 95 5 - 5.5-12.6 HD2 LYS 19 - HB2 LYS 31 far 5 94 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 94 5 - 5.5-29.5 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 0 97 0 - 6.1-21.8 HD3 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.2-19.4 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 6.2-21.7 HB2 LEU 98 - HB2 LYS 26 far 0 98 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 95 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 96 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 96 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 50 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 54 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 50 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 96 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 87 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 95 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 98 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 49 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 88 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 54 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 54 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 498 from cnoeabs.peaks (2.96, 1.75, 32.73 ppm; 6.80 A): 18 out of 51 assignments used, quality = 1.00: * HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.1-5.1 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 3.2-5.1 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.8-5.0 5.1=100 HE2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.0-4.9 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 95 95 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 95 95 100 100 2.6-5.5 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 93 93 100 100 1.8-4.7 4.8=100 HE2 LYS 31 + HB2 LYS 26 OK 61 97 65 96 4.4-12.8 3.7/834=9, 7.1/799=8...(149) HE2 LYS 26 + HB2 LYS 31 OK 60 93 65 99 3.2-17.5 6337/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 60 93 65 99 3.4-17.3 6337/6331=9, 3.6/639=9...(180) HE3 LYS 31 + HB2 LYS 26 OK 50 95 55 96 4.2-12.2 3.7/834=9, 7.1/799=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 48 99 50 98 5.3-18.0 4.0/823=6, 1228=5...(187) HE2 LYS 24 + HB2 LYS 19 OK 34 100 35 98 4.1-17.5 4.0/823=6, 2634/1.8=5...(186) HE2 LYS 39 + HB2 LYS 39 OK 33 33 100 100 3.0-4.6 4.9=100 HE2 LYS 19 + HB2 LYS 24 OK 28 100 35 80 3.8-18.2 6.4/790=3, 532/2.9=2...(79) HE3 LYS 39 + HB2 LYS 39 OK 28 28 100 100 3.7-4.5 4.9=100 HE3 LYS 19 + HB2 LYS 24 OK 24 98 35 70 4.9-17.5 532/2.9=3, 6.4/790=3...(58) HE3 LYS 36 - HB2 LYS 31 poor 20 98 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE3 LYS 24 - HB2 LYS 26 poor 20 99 20 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 14 99 35 39 3.5-12.9 6337/6331=2, ~2634=1...(5) HE2 LYS 26 - HB2 LYS 24 poor 10 96 50 22 5.6-12.3 9587/11151=6, 3.6/834=2 HE2 LYS 36 - HB2 LYS 24 far 10 100 10 - 1.9-26.5 HE2 LYS 24 - HB2 LYS 26 far 10 100 10 - 4.0-13.1 HE2 LYS 24 - HB2 LYS 31 far 10 99 10 - 4.9-20.2 HE2 LYS 19 - HB2 LYS 31 far 10 99 10 - 7.3-27.5 HE2 LYS 31 - HB2 LYS 24 far 10 98 10 - 6.9-18.8 HE3 LYS 24 - HB2 LYS 31 far 10 98 10 - 5.8-20.7 HE2 LYS 31 - HB2 LYS 19 far 10 97 10 - 5.2-25.0 HE3 LYS 19 - HB2 LYS 31 far 10 96 10 - 7.1-27.9 HE3 LYS 31 - HB2 LYS 24 far 10 96 10 - 6.7-18.7 HE3 LYS 31 - HB2 LYS 19 far 9 94 10 - 5.9-25.9 HE2 LYS 26 - HB2 LYS 19 far 9 94 10 - 6.8-24.3 HE2 LYS 36 - HB2 LYS 26 poor 9 100 35 26 3.3-22.3 10721/10748=3 HE3 LYS 26 - HB2 LYS 24 poor 9 96 35 27 5.3-12.3 9587/11151=9, 3.6/834=2 HE3 LYS 36 - HB2 LYS 26 poor 9 99 40 22 4.9-22.7 10721/10748=3 HE3 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.6-27.4 HE3 LYS 19 - HB2 LYS 26 far 5 97 5 - 8.2-24.9 HE3 LYS 26 - HB2 LYS 19 far 5 94 5 - 8.0-24.1 HB2 CYS 45 - HB2 LYS 26 far 5 94 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 4 78 5 - 7.9-33.7 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 53 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 92 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 85 0 - 9.3-32.1 HG CYS 73 - HB2 LYS 39 far 0 40 0 - 9.5-14.6 HB2 CYS 45 - HB2 LYS 39 far 0 47 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 54 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 95 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 53 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 499 from cnoeabs.peaks (2.96, 1.75, 32.73 ppm; 6.80 A): 17 out of 49 assignments used, quality = 1.00: * HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.1-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.5 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 3.2-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.6-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.9 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 98 98 100 100 1.8-4.7 4.8=100 HE2 LYS 26 + HB2 LYS 31 OK 63 98 65 99 3.2-17.5 6337/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 63 98 65 99 3.4-17.3 6337/6331=10, 3.6/639=9...(180) HE2 LYS 31 + HB2 LYS 26 OK 62 100 65 96 4.4-12.8 3.7/834=9, 7.1/799=8...(149) HE3 LYS 31 + HB2 LYS 26 OK 52 99 55 96 4.2-12.2 3.7/834=9, 7.1/799=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 49 100 50 98 5.3-18.0 4.0/823=6, 2634/1.8=5...(187) HE2 LYS 24 + HB2 LYS 19 OK 34 99 35 98 4.1-17.5 4.0/823=6, 2634/1.8=5...(186) HE2 LYS 19 + HB2 LYS 24 OK 28 100 35 80 3.8-18.2 6.4/790=3, 1025/2.9=2...(79) HE3 LYS 19 + HB2 LYS 24 OK 25 100 35 70 4.9-17.5 532/2.9=3, 6.4/790=3...(58) HE3 LYS 36 + HB2 LYS 31 OK 20 99 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE3 LYS 24 - HB2 LYS 26 poor 20 100 20 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 14 98 35 39 3.5-12.9 6337/6331=3, ~2634=1...(5) HE2 LYS 26 - HB2 LYS 24 poor 11 99 50 22 5.6-12.3 9587/11151=6, 3.6/834=2 HE2 LYS 36 - HB2 LYS 24 far 10 100 10 - 1.9-26.5 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 6.9-18.8 HE2 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.2-25.0 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 6.7-18.7 HE2 LYS 24 - HB2 LYS 26 far 10 99 10 - 4.0-13.1 HE3 LYS 24 - HB2 LYS 31 far 10 99 10 - 5.8-20.7 HE3 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.9-25.9 HE3 LYS 19 - HB2 LYS 31 far 10 99 10 - 7.1-27.9 HE2 LYS 19 - HB2 LYS 31 far 10 99 10 - 7.3-27.5 HE2 LYS 26 - HB2 LYS 19 far 10 99 10 - 6.8-24.3 HE2 LYS 24 - HB2 LYS 31 far 10 98 10 - 4.9-20.2 HE3 LYS 26 - HB2 LYS 24 poor 9 99 35 27 5.3-12.3 9587/11151=9, 3.6/834=2 HE2 LYS 36 - HB2 LYS 26 poor 9 99 35 26 3.3-22.3 10721/10748=3 HE3 LYS 36 - HB2 LYS 26 poor 9 100 40 22 4.9-22.7 10721/10748=3 HE3 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.6-27.4 HE3 LYS 19 - HB2 LYS 26 far 5 100 5 - 8.2-24.9 HE3 LYS 26 - HB2 LYS 19 far 5 99 5 - 8.0-24.1 HB2 CYS 45 - HB2 LYS 26 far 4 84 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 3 63 5 - 7.9-33.7 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 82 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 95 0 - 9.3-32.1 HG CYS 73 - HB2 LYS 39 far 0 32 0 - 9.5-14.6 HB2 CYS 45 - HB2 LYS 39 far 0 40 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 54 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 85 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 54 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 500 from cnoeabs.peaks (8.10, 1.75, 32.73 ppm; 4.02 A): 2 out of 11 assignments used, quality = 1.00: * H THR 25 + HB2 LYS 24 OK 100 100 100 100 1.6-4.5 6232=86, 6231/491=78...(32) H THR 25 + HB2 LYS 26 OK 24 100 25 95 3.5-7.2 6245/6250=80, 522/3.0=19...(24) H THR 25 - HB2 LYS 31 far 15 99 15 - 3.6-15.3 H THR 25 - HB2 LYS 19 far 10 100 10 - 3.1-16.5 H ALA 108 - HB2 LYS 26 far 0 77 0 - 5.6-29.9 H LEU 103 - HB2 LYS 26 far 0 80 0 - 6.2-24.7 H ALA 109 - HB2 LYS 26 far 0 82 0 - 6.9-30.2 HD22 ASN 85 - HB2 LYS 39 far 0 37 0 - 7.7-16.5 H ALA 108 - HB2 LYS 24 far 0 78 0 - 8.4-37.1 H ALA 109 - HB2 LYS 24 far 0 83 0 - 8.8-37.9 H ALA 108 - HB2 LYS 19 far 0 77 0 - 9.8-47.8 Violated in 4 structures by 0.04 A. Peak 501 from cnoeabs.peaks (8.37, 1.81, 32.73 ppm; 3.55 A): 6 out of 35 assignments used, quality = 1.00: * H LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.1-3.7 6219/482=77, 4.1=66...(20) H LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.3-3.9 6251=99, 6250/1.8=93...(31) H LYS 19 + HB3 LYS 19 OK 81 82 100 100 3.5-4.0 3.9=73, 6149/1.8=66...(36) H GLN 27 + HB3 LYS 26 OK 81 82 100 99 1.9-4.2 6263=76, 6262/1.8=62...(18) H ASP 35 + HB2 LYS 36 OK 49 82 65 92 3.9-6.0 6387/6392=53, 10884=39...(11) H LYS 86 + HB2 LYS 86 OK 28 30 100 95 2.1-2.7 4.0=71, 7140/1.8=30...(20) H LYS 24 - HB3 LYS 19 poor 20 100 20 - 2.4-13.6 H LYS 26 - HB3 LYS 24 far 15 100 15 - 4.4-8.0 H LYS 26 - HB3 LYS 31 poor 14 100 30 48 3.7-14.5 6252/629=5, 2.9/240=4...(26) H GLN 27 - HB3 LYS 31 far 12 83 15 - 3.4-13.1 H LYS 19 - HB3 LYS 24 far 12 83 15 - 3.6-14.3 H LYS 19 - HB3 LYS 31 far 8 81 10 - 3.3-24.1 H LYS 26 - HB3 LYS 19 far 5 100 5 - 3.0-20.1 H LYS 24 - HB3 LYS 31 far 5 100 5 - 4.1-17.4 H GLY 14 - HB3 LYS 19 far 5 100 5 - 4.3-17.1 H LYS 24 - HB3 LYS 26 far 5 99 5 - 4.8-9.9 H ASP 35 - HB3 LYS 24 far 4 89 5 - 2.6-24.1 H GLN 27 - HB3 LYS 24 far 4 85 5 - 3.5-11.0 H LYS 24 - HB2 LYS 36 far 0 97 0 - 5.1-28.9 H LYS 19 - HB3 LYS 26 far 0 80 0 - 5.1-21.9 H GLN 27 - HB3 LYS 19 far 0 84 0 - 5.7-21.2 H GLN 27 - HB2 LYS 36 far 0 78 0 - 5.7-23.8 H GLY 14 - HB3 LYS 24 far 0 100 0 - 5.9-21.7 H GLY 14 - HB3 LYS 31 far 0 99 0 - 6.0-25.0 H LYS 26 - HB2 LYS 36 far 0 96 0 - 6.2-26.0 H ASP 35 - HB3 LYS 26 far 0 86 0 - 6.3-21.5 H THR 65 - HB3 LYS 24 far 0 97 0 - 6.8-21.7 H THR 65 - HB3 LYS 26 far 0 94 0 - 7.3-21.7 H LYS 19 - HB2 LYS 36 far 0 76 0 - 7.4-34.5 H ASP 35 - HB3 LYS 31 far 0 87 0 - 7.5-11.7 H HIS 3 - HB3 LYS 31 far 0 96 0 - 7.6-50.0 H THR 65 - HB3 LYS 31 far 0 95 0 - 8.2-20.6 H THR 65 - HB2 LYS 36 far 0 91 0 - 9.2-19.1 H HIS 3 - HB2 LYS 86 far 0 57 0 - 9.3-74.5 H HIS 3 - HB2 LYS 36 far 0 92 0 - 9.4-54.5 Violated in 0 structures by 0.00 A. Peak 502 from cnoeabs.peaks (4.33, 1.81, 32.73 ppm; 2.85 A): 1 out of 18 assignments used, quality = 1.00: * HA LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-3.0 482=100, 491/1.8=64...(30) HA LYS 24 - HB3 LYS 19 far 5 100 5 - 4.3-14.3 HA LYS 24 - HB2 LYS 36 far 5 97 5 - 2.6-26.7 HA LEU 69 - HB2 LYS 36 far 0 96 0 - 4.8-11.6 HA ASP 47 - HB3 LYS 26 far 0 97 0 - 5.0-26.0 HA LYS 24 - HB3 LYS 31 far 0 100 0 - 5.2-16.9 HA LYS 24 - HB3 LYS 26 far 0 99 0 - 5.3-9.7 HA PRO 81 - HB2 LYS 86 far 0 61 0 - 6.4-8.8 HA ASP 47 - HB3 LYS 19 far 0 98 0 - 6.7-37.9 HA ASN 59 - HB3 LYS 26 far 0 99 0 - 7.2-22.2 HA2 GLY 75 - HB2 LYS 36 far 0 82 0 - 7.9-17.8 HA2 GLY 75 - HB3 LYS 31 far 0 87 0 - 8.1-24.1 HA TYR 76 - HB2 LYS 36 far 0 69 0 - 8.8-18.0 HA ASN 59 - HB3 LYS 19 far 0 100 0 - 8.8-36.7 HA LEU 69 - HB3 LYS 26 far 0 98 0 - 9.1-19.9 HA LEU 69 - HB3 LYS 31 far 0 99 0 - 9.6-17.0 HA LEU 69 - HB3 LYS 24 far 0 100 0 - 9.6-21.3 HA TYR 76 - HB2 LYS 86 far 0 39 0 - 9.8-12.0 Violated in 7 structures by 0.03 A. Peak 503 from cnoeabs.peaks (1.75, 1.81, 32.73 ppm; 2.50 A): 5 out of 32 assignments used, quality = 1.00: * HB2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 1.8-1.8 1.8=100 HB ILE 80 + HB2 LYS 86 OK 25 57 50 88 3.6-6.1 9729/3.0=13, 9713/3.0=11...(34) HB2 LYS 24 - HB3 LYS 19 far 15 100 15 - 1.9-15.0 HB2 LYS 26 - HB3 LYS 31 poor 14 99 35 41 1.9-14.9 799/6332=3, 251=3...(26) HB2 ARG 23 - HB3 LYS 26 far 10 97 10 - 2.4-12.4 HB2 LYS 31 - HB3 LYS 26 poor 9 98 25 38 2.0-14.1 6331/6332=3, 639/3.0=2...(11) HB2 LYS 19 - HB3 LYS 31 far 5 99 5 - 1.9-25.4 HB2 LYS 19 - HB3 LYS 26 far 5 99 5 - 3.6-22.7 HB2 ARG 23 - HB3 LYS 31 far 5 98 5 - 3.6-20.4 HB2 LYS 24 - HB2 LYS 36 far 5 97 5 - 3.3-29.5 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 4.0-14.4 HB2 LYS 26 - HB3 LYS 19 far 0 100 0 - 4.5-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 4.7-7.6 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 4.7-10.3 HB2 LYS 31 - HB3 LYS 19 far 0 99 0 - 4.8-27.2 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 4.9-18.1 HB2 LYS 26 - HB2 LYS 36 far 0 96 0 - 5.0-25.1 HG3 ARG 90 - HB2 LYS 86 far 0 51 0 - 5.0-9.3 HB2 ARG 23 - HB3 LYS 19 far 0 98 0 - 5.1-13.2 HB2 LYS 24 - HB3 LYS 26 far 0 99 0 - 5.2-10.9 HB2 ARG 23 - HB2 LYS 36 far 0 94 0 - 5.9-26.6 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.1-18.4 HB2 LYS 31 - HB2 LYS 36 far 0 96 0 - 6.2-14.4 HG LEU 100 - HB3 LYS 26 far 0 55 0 - 7.7-21.8 HG13 ILE 129 - HB2 LYS 86 far 0 61 0 - 9.1-11.3 HB2 LEU 43 - HB2 LYS 36 far 0 76 0 - 9.1-16.1 HB2 LEU 43 - HB3 LYS 26 far 0 80 0 - 9.4-28.2 HB2 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.5-34.1 HG LEU 100 - HB3 LYS 24 far 0 57 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 504 from cnoeabs.peaks (1.81, 1.81, 32.73 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 99 99 - 100 HB3 LYS 26 + HB3 LYS 26 OK 98 98 - 100 HB2 LYS 36 + HB2 LYS 36 OK 96 96 - 100 HB2 LYS 86 + HB2 LYS 86 OK 46 46 - 100 Peak 505 from cnoeabs.peaks (1.38, 1.81, 32.73 ppm; 3.47 A): 7 out of 65 assignments used, quality = 1.00: * HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.3-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 91 91 100 100 2.5-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 32 99 40 81 2.2-16.3 1.8/629=7, 640=7...(64) HG3 LYS 31 + HB3 LYS 26 OK 25 94 30 87 3.3-14.9 640=5, 1.8/284=4...(101) HG2 LYS 24 - HB3 LYS 19 poor 20 100 20 - 2.0-15.9 QB ALA 15 - HB3 LYS 19 far 15 100 15 - 4.0-12.6 QB ALA 28 - HB3 LYS 31 far 15 99 15 - 4.8-8.0 QB ALA 15 - HB3 LYS 31 far 10 99 10 - 2.6-21.8 HG2 LYS 19 - HB3 LYS 24 far 9 92 10 - 3.4-16.0 QB ALA 29 - HB3 LYS 24 far 5 100 5 - 2.6-12.1 QB ALA 15 - HB3 LYS 24 far 5 100 5 - 4.1-15.5 HG2 LYS 36 - HB3 LYS 24 far 5 100 5 - 4.9-26.5 HG2 LYS 24 - HB3 LYS 26 far 5 99 5 - 2.9-11.3 QB ALA 110 - HB3 LYS 26 far 5 99 5 - 3.1-29.9 QB ALA 108 - HB3 LYS 26 far 5 98 5 - 3.5-26.4 HG3 LYS 31 - HB3 LYS 24 far 5 97 5 - 4.8-17.7 QB ALA 29 - HB2 LYS 36 far 5 96 5 - 5.0-13.4 HG3 LYS 26 - HB2 LYS 36 far 5 96 5 - 4.6-27.1 HG3 LYS 31 - HB3 LYS 19 far 5 96 5 - 3.7-24.3 HG3 LYS 31 - HB2 LYS 36 far 5 91 5 - 3.8-16.2 HG2 LYS 19 - HB3 LYS 31 far 5 90 5 - 4.7-26.5 QB ALA 12 - HB3 LYS 19 far 4 82 5 - 1.9-16.7 QB ALA 12 - HB3 LYS 31 far 4 81 5 - 3.4-20.9 QB ALA 16 - HB3 LYS 19 far 3 70 5 - 4.9-10.4 QB ALA 16 - HB3 LYS 31 far 3 69 5 - 3.6-22.8 QB ALA 28 - HB3 LYS 24 lone 1 100 25 5 3.3-12.8 6234/6233=2, 10790=1 QB ALA 28 - HB3 LYS 19 far 0 99 0 - 5.1-20.6 QB ALA 110 - HB3 LYS 19 far 0 100 0 - 5.1-43.2 HG2 LYS 24 - HB3 LYS 31 far 0 100 0 - 5.1-19.1 QB ALA 108 - HB3 LYS 24 far 0 100 0 - 5.2-30.4 QB ALA 28 - HB3 LYS 26 far 0 98 0 - 5.2-7.7 QB ALA 29 - HB3 LYS 26 far 0 99 0 - 5.3-9.5 HG3 LYS 26 - HB3 LYS 24 far 0 100 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 97 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 99 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 96 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 98 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 100 0 - 5.9-8.3 QB ALA 16 - HB3 LYS 24 far 0 71 0 - 6.0-15.3 HG2 LYS 19 - HB3 LYS 26 far 0 89 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 99 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 97 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 100 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 96 0 - 6.5-10.8 QB ALA 16 - HB2 LYS 36 far 0 65 0 - 6.6-28.2 HG2 LYS 95 - HB3 LYS 24 far 0 99 0 - 6.7-33.3 HG2 LYS 36 - HB3 LYS 26 far 0 99 0 - 6.8-22.9 QB ALA 12 - HB3 LYS 24 far 0 83 0 - 6.9-17.9 QB ALA 16 - HB3 LYS 26 far 0 68 0 - 7.0-20.5 HG3 LYS 26 - HB3 LYS 19 far 0 100 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 96 0 - 7.4-28.2 HG2 LYS 36 - HB3 LYS 31 far 0 100 0 - 7.5-13.3 QB ALA 28 - HB2 LYS 36 far 0 96 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 100 0 - 8.2-32.7 QB ALA 12 - HB3 LYS 26 far 0 80 0 - 8.2-20.8 QB ALA 108 - HB3 LYS 31 far 0 99 0 - 8.5-26.6 QB ALA 110 - HB3 LYS 24 far 0 100 0 - 9.1-35.2 HB3 LEU 100 - HB3 LYS 26 far 0 99 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 86 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 99 0 - 9.7-39.7 QB ALA 12 - HB2 LYS 36 far 0 76 0 - 9.8-26.6 QB ALA 109 - HB3 LYS 31 far 0 97 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 506 from cnoeabs.peaks (1.45, 1.81, 32.73 ppm; 3.94 A): 12 out of 36 assignments used, quality = 1.00: * HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 74 74 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 36 OK 36 94 40 96 4.1-11.8 ~10810=32, ~10899=32...(36) HG2 LYS 86 + HB2 LYS 86 OK 36 36 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 31 OK 35 93 40 95 2.5-17.3 629=9, 628/1.8=7...(115) HG2 LYS 31 + HB3 LYS 26 OK 32 98 35 94 3.6-16.1 526=7, 823/1.8=6...(138) HG3 LYS 86 + HB2 LYS 86 OK 30 30 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB3 LYS 26 OK 24 97 35 70 2.3-13.7 6264/6263=10, 1.8/913=9...(25) HG3 LYS 24 + HB3 LYS 19 OK 23 100 30 77 2.0-15.5 526=5, 823/1.8=5...(27) HG13 ILE 32 - HB3 LYS 31 poor 20 98 20 - 3.7-7.2 HG3 LYS 19 - HB3 LYS 24 far 10 100 10 - 3.9-16.0 HG2 LYS 26 - HB2 LYS 36 far 9 89 10 - 4.0-27.3 HG2 LYS 31 - HB3 LYS 24 far 5 100 5 - 4.5-18.4 HG3 LYS 19 - HB3 LYS 31 far 5 99 5 - 4.5-27.7 HG3 LYS 24 - HB3 LYS 31 far 5 100 5 - 5.0-17.6 HG2 LYS 31 - HB3 LYS 19 far 5 99 5 - 4.2-25.3 HG3 LYS 24 - HB3 LYS 26 far 5 99 5 - 3.6-11.7 HG13 ILE 32 - HB3 LYS 24 far 5 99 5 - 5.3-17.6 HG2 LYS 31 - HB2 LYS 36 far 5 96 5 - 3.7-16.4 HG3 LYS 36 - HB3 LYS 24 far 4 81 5 - 3.5-27.2 HG3 LYS 36 - HB3 LYS 26 far 4 78 5 - 5.1-23.3 QB ALA 34 - HB3 LYS 24 far 3 65 5 - 4.6-20.2 QB ALA 34 - HB2 LYS 36 far 3 59 5 - 5.3-7.2 HG2 LYS 26 - HB3 LYS 24 far 0 95 0 - 5.5-11.9 HG3 LYS 24 - HB2 LYS 36 far 0 97 0 - 5.5-27.7 HG3 LYS 19 - HB3 LYS 26 far 0 99 0 - 5.6-24.0 HG3 LYS 36 - HB3 LYS 31 far 0 79 0 - 6.0-13.7 HG2 LYS 26 - HB3 LYS 19 far 0 94 0 - 6.8-23.3 QB ALA 34 - HB3 LYS 26 far 0 63 0 - 7.5-18.8 HG3 LYS 36 - HB3 LYS 19 far 0 79 0 - 8.3-32.7 HG13 ILE 32 - HB3 LYS 19 far 0 98 0 - 8.3-24.4 QB ALA 34 - HB3 LYS 31 far 0 64 0 - 9.1-11.7 QB ALA 92 - HB2 LYS 86 far 0 50 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 507 from cnoeabs.peaks (1.66, 1.81, 32.73 ppm; 3.94 A): 17 out of 60 assignments used, quality = 1.00: * HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.2-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-4.1 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 94 95 100 100 2.1-3.7 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 94 95 100 100 2.2-3.7 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 93 93 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 93 93 100 100 2.1-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.3-4.0 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 38 100 40 95 2.9-17.3 2.9/629=7, 2.9/273=5...(118) HD3 LYS 26 + HB3 LYS 31 OK 37 99 40 93 3.4-17.4 2.9/629=7, 2.9/273=5...(94) HD3 LYS 24 + HB3 LYS 19 OK 28 100 35 81 3.5-15.3 3.0/824=3, 3.0/835=2...(75) HD2 LYS 31 + HB3 LYS 26 OK 28 99 30 95 4.2-14.4 2.9/284=4, 2.9/620=4...(160) HD2 LYS 24 + HB3 LYS 19 OK 26 100 30 87 2.0-16.0 3.0/824=3, 3.0/835=2...(109) HD3 LYS 31 - HB3 LYS 26 poor 20 99 20 - 4.5-14.4 HD2 LYS 26 - HB2 LYS 36 poor 19 96 20 - 5.1-27.9 HD3 LYS 19 - HB3 LYS 24 poor 19 96 20 - 2.0-16.3 HD3 LYS 26 - HB2 LYS 36 far 14 96 15 - 4.4-27.1 HD2 LYS 19 - HB3 LYS 24 far 10 96 10 - 3.7-15.7 HD2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.4-17.9 HD3 LYS 24 - HB3 LYS 26 far 5 99 5 - 3.7-12.3 HD2 LYS 24 - HB3 LYS 26 far 5 99 5 - 5.1-12.6 HD2 LYS 36 - HB3 LYS 24 far 5 98 5 - 4.2-24.7 HB2 LEU 98 - HB3 LYS 24 far 5 98 5 - 5.2-34.1 HD2 LYS 31 - HB2 LYS 36 far 5 97 5 - 5.0-15.5 HD2 LYS 19 - HB3 LYS 31 far 5 94 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 94 5 - 4.1-28.8 HG3 ARG 84 - HB2 LYS 86 far 2 38 5 - 5.4-8.3 HD3 LYS 36 - HB3 LYS 24 far 0 98 0 - 5.5-25.2 HG2 ARG 84 - HB2 LYS 86 far 0 38 0 - 5.5-8.0 HD2 LYS 24 - HB2 LYS 36 far 0 97 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 96 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 96 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 94 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 97 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 96 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 93 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 97 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 93 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 100 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 96 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 99 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 80 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 99 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 98 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 89 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 508 from cnoeabs.peaks (1.66, 1.81, 32.73 ppm; 3.94 A): 17 out of 60 assignments used, quality = 1.00: HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 * HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.2-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-4.1 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.1-3.7 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.2-3.7 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.1-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 61 61 100 100 2.3-4.0 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 38 100 40 95 2.9-17.3 2.9/629=7, 2.9/273=5...(118) HD3 LYS 26 + HB3 LYS 31 OK 37 99 40 93 3.4-17.4 2.9/629=7, 2.9/273=5...(94) HD3 LYS 24 + HB3 LYS 19 OK 28 100 35 81 3.5-15.3 3.0/824=3, 3.0/835=2...(75) HD2 LYS 31 + HB3 LYS 26 OK 28 99 30 95 4.2-14.4 2.9/284=4, 2.9/620=4...(160) HD2 LYS 24 + HB3 LYS 19 OK 26 100 30 87 2.0-16.0 3.0/824=3, 306=2...(109) HD3 LYS 31 - HB3 LYS 26 poor 20 99 20 - 4.5-14.4 HD3 LYS 19 - HB3 LYS 24 poor 19 97 20 - 2.0-16.3 HD2 LYS 26 - HB2 LYS 36 poor 19 97 20 - 5.1-27.9 HD3 LYS 26 - HB2 LYS 36 far 14 96 15 - 4.4-27.1 HD2 LYS 19 - HB3 LYS 24 far 10 97 10 - 3.7-15.7 HD2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.4-17.9 HD3 LYS 24 - HB3 LYS 26 far 5 99 5 - 3.7-12.3 HD2 LYS 24 - HB3 LYS 26 far 5 99 5 - 5.1-12.6 HB2 LEU 98 - HB3 LYS 24 far 5 99 5 - 5.2-34.1 HD2 LYS 36 - HB3 LYS 24 far 5 97 5 - 4.2-24.7 HD2 LYS 31 - HB2 LYS 36 far 5 96 5 - 5.0-15.5 HD2 LYS 19 - HB3 LYS 31 far 5 95 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 95 5 - 4.1-28.8 HG3 ARG 84 - HB2 LYS 86 far 2 39 5 - 5.4-8.3 HD3 LYS 36 - HB3 LYS 24 far 0 97 0 - 5.5-25.2 HG2 ARG 84 - HB2 LYS 86 far 0 39 0 - 5.5-8.0 HD2 LYS 24 - HB2 LYS 36 far 0 96 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 97 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 95 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 61 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 95 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 93 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 96 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 97 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 94 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 96 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 94 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 100 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 97 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 99 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 82 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 98 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 97 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 87 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 509 from cnoeabs.peaks (2.96, 1.81, 32.73 ppm; 6.80 A): 21 out of 57 assignments used, quality = 1.00: * HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.1 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.8-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.3-4.8 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.0-5.2 4.8=100 HE2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 3.3-4.7 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.0-4.5 4.9=100 HE3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.0-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 93 93 100 100 3.3-5.0 4.8=100 HE3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 3.0-3.5 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 56 94 60 99 2.2-19.2 6337/6332=10, 3.6/629=10...(165) HE3 LYS 26 + HB3 LYS 31 OK 56 94 60 99 3.3-19.0 3.6/629=10, 6337/6332=9...(160) HE2 LYS 31 + HB3 LYS 26 OK 55 96 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 24 + HB3 LYS 19 OK 48 99 50 97 3.9-16.9 1228/1.8=7, 4.0/526=5...(161) HE2 LYS 26 + HB2 LYS 36 OK 45 90 55 91 2.4-29.4 1004/1.8=16, ~1004=13...(60) HE3 LYS 31 + HB3 LYS 26 OK 45 93 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 26 + HB2 LYS 36 OK 39 90 50 88 2.6-28.9 1004/1.8=14, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 34 100 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 29 100 35 83 3.5-17.2 532/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 27 98 35 79 4.6-17.1 532/2.9=3, 6.4/596=2...(92) HE2 LYS 24 - HB3 LYS 31 poor 20 100 20 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 20 99 55 36 4.9-14.1 6337/6332=4...(3) HE2 LYS 24 - HB3 LYS 26 far 15 99 15 - 5.2-13.2 HE3 LYS 24 - HB3 LYS 31 far 15 99 15 - 6.7-20.0 HE3 LYS 24 - HB3 LYS 26 far 15 98 15 - 6.0-13.6 HE3 LYS 19 - HB3 LYS 31 far 15 97 15 - 6.2-27.1 HE2 LYS 36 - HB3 LYS 31 poor 14 99 35 40 5.3-14.3 10813/10751=3...(14) HE2 LYS 36 - HB3 LYS 24 far 10 100 10 - 3.5-25.9 HE2 LYS 31 - HB3 LYS 19 far 10 97 10 - 6.5-26.1 HE2 LYS 26 - HB3 LYS 19 far 9 95 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 9 95 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 9 95 10 - 7.6-23.7 HG CYS 73 - HB2 LYS 36 far 8 78 10 - 7.8-14.8 HB2 CYS 45 - HB2 LYS 36 lone 8 89 55 16 1.8-11.9 10889/10749=5...(6) HE2 LYS 26 - HB3 LYS 24 lone 8 96 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 7 96 35 21 4.8-12.9 9587/985=2, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 7 98 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 7 99 25 27 4.2-22.7 10721/10720=3, 10813/10751=2 HE3 LYS 36 - HB3 LYS 24 far 5 99 5 - 5.2-26.7 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.8-26.9 HE2 LYS 31 - HB3 LYS 24 far 5 98 5 - 7.8-18.3 HD2 ARG 135 - HB2 LYS 86 far 5 48 10 - 7.9-12.6 HE2 LYS 24 - HB2 LYS 36 far 5 97 5 - 6.1-29.9 HE3 LYS 19 - HB3 LYS 26 far 5 96 5 - 8.0-25.2 HE3 LYS 31 - HB3 LYS 24 far 5 96 5 - 7.6-18.3 HE3 LYS 24 - HB2 LYS 36 far 5 95 5 - 7.5-29.6 HB2 CYS 45 - HB3 LYS 26 far 5 92 5 - 7.5-24.2 HE2 LYS 31 - HB2 LYS 36 lone 4 93 40 12 6.2-12.8 10721/10898=4, 10804/929=3 HE3 LYS 31 - HB2 LYS 36 lone 2 90 25 11 5.6-14.2 10766/10898=4, 9008/929=3 HB3 ASN 116 - HB3 LYS 24 far 0 78 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 85 0 - 8.8-31.5 HE3 LYS 39 - HB2 LYS 86 far 0 31 0 - 9.1-16.1 HB2 CYS 45 - HB3 LYS 31 far 0 93 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 99 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 94 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 510 from cnoeabs.peaks (2.96, 1.81, 32.73 ppm; 6.80 A): 21 out of 56 assignments used, quality = 1.00: * HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.1 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.2 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 98 98 100 100 3.3-5.0 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 97 97 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 3.3-4.7 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 61 61 100 100 3.0-3.5 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 59 99 60 99 2.2-19.2 6337/6332=10, 3.6/629=10...(165) HE3 LYS 26 + HB3 LYS 31 OK 59 99 60 99 3.3-19.0 6337/6332=10, 3.6/629=10...(160) HE2 LYS 31 + HB3 LYS 26 OK 57 99 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 24 + HB3 LYS 19 OK 48 100 50 97 3.9-16.9 1228/1.8=6, 4.0/526=5...(161) HE2 LYS 26 + HB2 LYS 36 OK 48 95 55 91 2.4-29.4 1004/1.8=17, ~1004=13...(60) HE3 LYS 31 + HB3 LYS 26 OK 47 98 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 26 + HB2 LYS 36 OK 42 95 50 88 2.6-28.9 1003/1.8=15, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 34 99 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 29 100 35 83 3.5-17.2 1025/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 28 100 35 79 4.6-17.1 532/2.9=3, 6.4/596=2...(92) HE3 LYS 36 - HB3 LYS 31 poor 20 100 55 36 4.9-14.1 6337/6332=4...(3) HE2 LYS 24 - HB3 LYS 31 poor 20 99 20 - 6.0-19.3 HE3 LYS 24 - HB3 LYS 31 far 15 100 15 - 6.7-20.0 HE3 LYS 19 - HB3 LYS 31 far 15 99 15 - 6.2-27.1 HE3 LYS 24 - HB3 LYS 26 far 15 99 15 - 6.0-13.6 HE2 LYS 24 - HB3 LYS 26 far 15 98 15 - 5.2-13.2 HE2 LYS 36 - HB3 LYS 31 poor 14 99 35 40 5.3-14.3 10813/10751=3...(14) HE2 LYS 36 - HB3 LYS 24 far 10 100 10 - 3.5-25.9 HE2 LYS 31 - HB3 LYS 19 far 10 100 10 - 6.5-26.1 HE2 LYS 26 - HB3 LYS 19 far 10 99 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 10 99 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 10 99 10 - 7.6-23.7 HE2 LYS 26 - HB3 LYS 24 lone 8 99 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 8 99 35 21 4.8-12.9 9587/985=2, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 7 99 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 7 98 25 27 4.2-22.7 10721/10720=3, 10813/10751=2 HB2 CYS 45 - HB2 LYS 36 lone 7 78 55 15 1.8-11.9 10889/10749=4...(6) HG CYS 73 - HB2 LYS 36 far 6 65 10 - 7.8-14.8 HE3 LYS 36 - HB3 LYS 24 far 5 100 5 - 5.2-26.7 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 7.8-18.3 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.8-26.9 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.6-18.3 HE3 LYS 19 - HB3 LYS 26 far 5 99 5 - 8.0-25.2 HE3 LYS 24 - HB2 LYS 36 far 5 97 5 - 7.5-29.6 HE2 LYS 24 - HB2 LYS 36 far 5 95 5 - 6.1-29.9 HE2 LYS 31 - HB2 LYS 36 lone 5 96 40 12 6.2-12.8 10721/10898=4, 9008/929=3 HB2 CYS 45 - HB3 LYS 26 far 4 82 5 - 7.5-24.2 HD2 ARG 135 - HB2 LYS 86 far 4 39 10 - 7.9-12.6 HE3 LYS 31 - HB2 LYS 36 lone 3 95 25 11 5.6-14.2 10840/10898=4, 9008/929=3 HB3 ASN 116 - HB3 LYS 24 far 0 63 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 95 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 83 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 84 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 511 from cnoeabs.peaks (8.10, 1.81, 32.73 ppm; 3.93 A): 3 out of 16 assignments used, quality = 1.00: * H THR 25 + HB3 LYS 24 OK 100 100 100 100 1.9-4.5 6233=84, 6231/482=78...(33) H PHE 87 + HB2 LYS 86 OK 53 54 100 100 2.2-3.6 7157/1.8=71, 7156=71...(23) H THR 25 + HB3 LYS 26 OK 23 99 25 93 4.4-7.5 6245/6251=72, 522/3.0=18...(25) H THR 25 - HB3 LYS 19 poor 20 100 20 - 2.3-15.8 H THR 25 - HB3 LYS 31 far 15 100 15 - 4.3-14.4 HD22 ASN 85 - HB2 LYS 86 poor 13 43 30 - 4.3-7.5 H LEU 103 - HB3 LYS 26 far 4 78 5 - 5.3-26.4 H ALA 108 - HB3 LYS 26 far 4 75 5 - 5.4-30.9 H ALA 109 - HB3 LYS 26 far 0 80 0 - 5.7-31.3 H THR 25 - HB2 LYS 36 far 0 97 0 - 5.8-26.9 H GLU 91 - HB2 LYS 86 far 0 41 0 - 7.3-8.4 H ALA 108 - HB3 LYS 31 far 0 77 0 - 8.8-31.2 H ALA 109 - HB3 LYS 31 far 0 81 0 - 9.5-32.0 H ALA 108 - HB3 LYS 24 far 0 78 0 - 9.5-36.4 H ALA 109 - HB3 LYS 24 far 0 83 0 - 9.6-37.1 H ALA 109 - HB3 LYS 19 far 0 82 0 - 9.8-47.6 Violated in 0 structures by 0.00 A. Peak 512 from cnoeabs.peaks (8.37, 1.38, 24.62 ppm; 4.45 A): 6 out of 33 assignments used, quality = 1.00: * H LYS 24 + HG2 LYS 24 OK 100 100 100 100 1.9-4.3 6222=99, 6223/1.8=94...(31) H LYS 26 + HG3 LYS 26 OK 99 99 100 100 1.7-4.7 6252/1.8=94, 6250/3.0=92...(49) H GLN 27 + HG3 LYS 26 OK 82 82 100 100 2.1-4.5 5.0=72, 6262/3.0=65...(26) H ASP 35 + HG2 LYS 36 OK 57 62 95 97 3.7-6.5 6387/6394=66...(15) H LYS 19 + HG2 LYS 19 OK 57 57 100 100 1.8-4.0 4.9=76, 6149/3.0=67...(50) H LYS 26 + HG2 LYS 24 OK 22 100 30 74 1.9-8.6 6245/6234=56...(6) H LYS 26 - HG3 LYS 31 poor 16 86 25 75 4.5-14.1 6251/620=4, 6250/804=4...(57) H LYS 19 - HG2 LYS 24 poor 14 83 25 66 5.1-16.6 3.0/598=4, 523/1.8=4...(50) H LYS 24 - HG2 LYS 19 far 12 77 15 - 4.5-15.9 H GLN 27 - HG3 LYS 31 far 10 67 15 - 5.2-12.2 H LYS 24 - HG3 LYS 31 far 9 86 10 - 4.9-16.5 H GLN 27 - HG2 LYS 24 far 8 85 10 - 3.2-11.1 H LYS 24 - HG3 LYS 26 poor 7 99 25 30 3.8-10.2 6228/522=23, 424/638=2...(6) H LYS 19 - HG3 LYS 31 far 6 65 10 - 3.4-22.7 H THR 65 - HG3 LYS 26 far 5 94 5 - 4.5-22.4 H ASP 35 - HG2 LYS 24 far 4 89 5 - 4.7-26.9 H ASP 35 - HG3 LYS 26 far 4 86 5 - 3.7-22.6 H LYS 26 - HG2 LYS 19 far 4 77 5 - 5.3-22.5 H LYS 19 - HG2 LYS 36 far 3 57 5 - 5.0-32.6 H GLY 14 - HG2 LYS 19 lone 2 77 40 6 3.6-15.4 6106/10654=1...(3) H THR 65 - HG3 LYS 31 far 0 80 0 - 6.5-19.7 H ASP 35 - HG3 LYS 31 far 0 71 0 - 6.5-12.8 H THR 65 - HG2 LYS 24 far 0 97 0 - 6.7-22.9 H LYS 24 - HG2 LYS 36 far 0 77 0 - 7.1-26.7 H GLY 14 - HG3 LYS 31 far 0 86 0 - 7.3-24.9 H GLY 14 - HG2 LYS 24 far 0 100 0 - 7.4-24.1 H GLN 27 - HG2 LYS 36 far 0 58 0 - 7.6-21.6 H LYS 19 - HG3 LYS 26 far 0 80 0 - 7.6-21.9 H GLN 27 - HG2 LYS 19 far 0 59 0 - 8.1-23.6 H THR 65 - HG2 LYS 36 far 0 70 0 - 8.4-18.7 H HIS 3 - HG3 LYS 31 far 0 81 0 - 8.4-51.7 H LYS 26 - HG2 LYS 36 far 0 77 0 - 8.5-23.7 H HIS 3 - HG3 LYS 26 far 0 95 0 - 9.1-55.1 Violated in 0 structures by 0.00 A. Peak 513 from cnoeabs.peaks (4.33, 1.38, 24.62 ppm; 3.45 A): 1 out of 15 assignments used, quality = 1.00: * HA LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-4.2 483=100, 484/1.8=73...(34) HA LYS 24 - HG3 LYS 26 far 10 99 10 - 3.3-9.6 HA LYS 24 - HG3 LYS 31 far 9 86 10 - 3.7-16.5 HA ASP 47 - HG3 LYS 26 far 5 97 5 - 3.8-25.9 HA LYS 24 - HG2 LYS 36 far 4 77 5 - 4.9-24.6 HA LEU 69 - HG2 LYS 36 far 4 76 5 - 4.4-11.2 HA LYS 24 - HG2 LYS 19 far 0 77 0 - 5.7-16.5 HA TYR 76 - HG2 LYS 36 far 0 51 0 - 6.7-16.3 HA ASP 47 - HG2 LYS 19 far 0 74 0 - 7.1-40.0 HA LEU 69 - HG3 LYS 31 far 0 85 0 - 7.3-17.0 HA2 GLY 75 - HG2 LYS 36 far 0 62 0 - 7.4-15.8 HA2 GLY 75 - HG3 LYS 31 far 0 71 0 - 7.7-23.5 HA ASN 59 - HG3 LYS 26 far 0 99 0 - 7.9-22.8 HA ASN 59 - HG2 LYS 19 far 0 77 0 - 9.0-39.5 HA2 GLY 75 - HG3 LYS 26 far 0 86 0 - 9.8-25.6 Violated in 9 structures by 0.12 A. Peak 514 from cnoeabs.peaks (1.75, 1.38, 24.62 ppm; 3.90 A): 6 out of 29 assignments used, quality = 1.00: * HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 31 OK 85 85 100 100 2.4-3.0 3.0=100 HB2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.3-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 26 OK 37 99 40 95 2.0-14.6 804=8, 628/1.8=7...(127) HB2 LYS 26 + HG3 LYS 31 OK 20 86 25 95 3.1-14.0 823/1.8=6, 804=5...(125) HB2 LYS 19 - HG2 LYS 24 poor 20 100 20 - 3.7-16.8 HB2 ARG 23 - HG3 LYS 26 poor 19 97 20 - 3.9-12.1 HB2 LYS 24 - HG2 LYS 19 poor 19 77 25 - 3.4-16.9 HB2 LYS 24 - HG3 LYS 31 far 9 86 10 - 3.7-17.1 HB2 LYS 19 - HG3 LYS 31 far 9 86 10 - 2.7-23.1 HB2 ARG 23 - HG3 LYS 31 far 8 83 10 - 4.2-17.9 HB2 LYS 26 - HG2 LYS 24 far 5 100 5 - 2.2-11.2 HB2 LYS 24 - HG3 LYS 26 far 5 99 5 - 5.4-11.1 HB2 ARG 23 - HG2 LYS 24 far 5 99 5 - 4.4-8.4 HB2 LYS 24 - HG2 LYS 36 far 4 77 5 - 4.2-27.3 HB2 LYS 31 - HG2 LYS 19 far 4 76 5 - 5.2-27.3 HB2 LYS 26 - HG2 LYS 36 far 0 76 0 - 5.5-22.8 HB2 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.6-19.7 HB2 LYS 19 - HG3 LYS 26 far 0 99 0 - 6.0-22.5 HB2 LYS 26 - HG2 LYS 19 far 0 77 0 - 6.4-24.5 HB2 LYS 31 - HG2 LYS 36 far 0 76 0 - 6.5-12.1 HB2 ARG 23 - HG2 LYS 36 far 0 73 0 - 6.8-24.5 HB2 LYS 19 - HG2 LYS 36 far 0 76 0 - 7.3-32.2 HB2 ARG 23 - HG2 LYS 19 far 0 74 0 - 7.6-15.2 HB2 LYS 39 - HG2 LYS 24 far 0 93 0 - 8.0-31.6 HB2 LEU 43 - HG2 LYS 24 far 0 83 0 - 8.6-30.2 HB2 LYS 39 - HG2 LYS 36 far 0 66 0 - 9.5-14.0 HB2 LEU 43 - HG2 LYS 36 far 0 57 0 - 9.7-17.3 Violated in 0 structures by 0.00 A. Peak 515 from cnoeabs.peaks (1.81, 1.38, 24.62 ppm; 3.56 A): 8 out of 40 assignments used, quality = 1.00: * HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.3-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.5-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 26 OK 33 99 40 84 2.2-16.3 1.8/639=7, 620=6...(74) HB3 LYS 26 + HG3 LYS 31 OK 23 85 30 89 3.3-14.9 505=6, 989/1.8=4, ~823=4...(113) HB ILE 32 + HG2 LYS 36 OK 22 76 30 98 3.5-7.7 ~10901=27, ~10810=24...(46) HB3 LYS 19 - HG2 LYS 24 poor 20 100 20 - 2.0-15.9 HB3 ARG 23 - HG3 LYS 26 poor 19 96 20 - 2.7-12.0 HB3 LYS 24 - HG2 LYS 19 far 12 77 15 - 3.4-16.0 HB ILE 32 - HG3 LYS 26 far 10 99 10 - 3.9-17.4 HB ILE 32 - HG3 LYS 31 far 9 85 10 - 4.7-8.2 HB3 ARG 23 - HG3 LYS 31 far 8 82 10 - 4.3-17.8 HB3 LYS 26 - HG2 LYS 24 far 5 100 5 - 2.9-11.3 HB2 LYS 36 - HG3 LYS 26 far 5 99 5 - 4.6-27.1 HB3 LYS 19 - HG3 LYS 31 far 4 86 5 - 3.7-24.3 HB3 LYS 24 - HG3 LYS 31 far 4 86 5 - 4.8-17.7 HB2 LYS 36 - HG3 LYS 31 far 4 86 5 - 3.8-16.2 HB3 LYS 31 - HG2 LYS 19 far 4 77 5 - 4.7-26.5 HB3 LYS 24 - HG2 LYS 36 far 4 77 5 - 4.9-26.5 HB3 LEU 98 - HG2 LYS 24 far 3 60 5 - 4.6-35.1 HB3 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.1-19.1 HB3 ARG 23 - HG2 LYS 24 far 0 98 0 - 5.3-7.8 HB3 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.4-11.5 HB2 LYS 36 - HG2 LYS 24 far 0 100 0 - 5.6-29.5 HB3 LYS 26 - HG2 LYS 19 far 0 76 0 - 6.0-24.6 HB3 ARG 23 - HG2 LYS 36 far 0 72 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 75 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 99 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 100 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 76 0 - 7.5-13.3 HB3 LYS 19 - HG2 LYS 36 far 0 76 0 - 8.2-32.7 HB3 ARG 23 - HG2 LYS 19 far 0 73 0 - 8.4-16.3 HB3 LEU 98 - HG3 LYS 26 far 0 58 0 - 8.5-28.4 HB2 CYS 79 - HG2 LYS 36 far 0 47 0 - 8.7-18.1 HB2 CYS 79 - HG2 LYS 19 far 0 47 0 - 8.9-38.4 HB3 LEU 122 - HG2 LYS 24 far 0 83 0 - 9.0-29.6 HB2 LYS 36 - HG2 LYS 19 far 0 77 0 - 9.5-36.6 HB3 LEU 103 - HG3 LYS 26 far 0 78 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 516 from cnoeabs.peaks (1.38, 1.38, 24.62 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 24 + HG2 LYS 24 OK 100 100 - 100 HG3 LYS 26 + HG3 LYS 26 OK 99 99 - 100 HG3 LYS 31 + HG3 LYS 31 OK 80 80 - 100 HG2 LYS 36 + HG2 LYS 36 OK 77 77 - 100 HG2 LYS 19 + HG2 LYS 19 OK 65 65 - 100 Peak 517 from cnoeabs.peaks (1.45, 1.38, 24.62 ppm; 2.50 A): 5 out of 34 assignments used, quality = 1.00: * HG3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 85 85 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 77 77 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 55 55 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 10 97 10 - 2.6-15.5 HG2 LYS 31 - HG3 LYS 26 far 5 99 5 - 3.8-16.9 HG13 ILE 32 - HG3 LYS 31 far 4 83 5 - 3.5-8.4 HG3 LYS 24 - HG2 LYS 19 far 4 77 5 - 2.1-17.9 HG3 LYS 36 - HG3 LYS 31 far 0 63 0 - 4.1-14.2 HG3 LYS 19 - HG2 LYS 24 far 0 100 0 - 4.1-17.9 HG3 LYS 24 - HG3 LYS 26 far 0 99 0 - 4.4-11.5 HG3 LYS 19 - HG3 LYS 31 far 0 86 0 - 4.5-25.5 HG2 LYS 26 - HG3 LYS 31 far 0 77 0 - 4.7-16.4 HG2 LYS 26 - HG2 LYS 24 far 0 95 0 - 4.7-11.2 QB ALA 34 - HG2 LYS 36 far 0 43 0 - 4.7-7.2 QB ALA 34 - HG2 LYS 24 far 0 65 0 - 5.4-22.7 HG3 LYS 36 - HG2 LYS 24 far 0 81 0 - 5.4-28.0 QB ALA 34 - HG3 LYS 26 far 0 63 0 - 5.5-19.0 HG13 ILE 32 - HG2 LYS 36 far 0 74 0 - 5.5-9.7 HG2 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.6-17.7 HG2 LYS 31 - HG2 LYS 19 far 0 76 0 - 5.6-25.5 HG3 LYS 24 - HG3 LYS 31 far 0 86 0 - 5.7-17.0 HG3 LYS 24 - HG2 LYS 36 far 0 77 0 - 6.1-25.7 HG3 LYS 36 - HG3 LYS 26 far 0 78 0 - 6.2-25.2 HG2 LYS 31 - HG2 LYS 36 far 0 76 0 - 6.3-14.0 HG2 LYS 26 - HG2 LYS 36 far 0 68 0 - 6.3-25.0 HG13 ILE 32 - HG2 LYS 24 far 0 99 0 - 7.5-18.3 QB ALA 34 - HG3 LYS 31 far 0 50 0 - 7.6-12.0 HG3 LYS 19 - HG3 LYS 26 far 0 99 0 - 7.8-23.7 HG3 LYS 36 - HG2 LYS 19 far 0 55 0 - 8.0-34.6 HG3 LYS 19 - HG2 LYS 36 far 0 76 0 - 8.2-34.3 HG2 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.7-25.7 HG13 ILE 32 - HG2 LYS 19 far 0 74 0 - 8.9-25.0 Violated in 0 structures by 0.00 A. Peak 518 from cnoeabs.peaks (1.66, 1.38, 24.62 ppm; 3.71 A): 10 out of 58 assignments used, quality = 1.00: * HD2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 72 72 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 72 72 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 69 69 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 69 69 100 100 2.5-3.0 3.0=100 HD2 LYS 24 - HG2 LYS 19 poor 19 77 25 - 3.0-17.8 HD3 LYS 24 - HG2 LYS 19 poor 19 77 25 - 2.7-16.9 HD3 LYS 19 - HG2 LYS 24 poor 19 96 20 - 2.1-17.8 HD3 LYS 31 - HG3 LYS 26 far 15 99 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 14 96 15 - 3.2-16.1 HD2 LYS 36 - HG3 LYS 26 far 10 96 10 - 4.8-22.9 HD2 LYS 26 - HG3 LYS 31 far 9 86 10 - 4.8-17.0 HD3 LYS 26 - HG3 LYS 31 far 9 86 10 - 3.0-16.8 HD2 LYS 36 - HG3 LYS 31 far 8 82 10 - 4.8-13.4 HD3 LYS 26 - HG2 LYS 24 far 5 100 5 - 5.2-11.4 HD2 LYS 31 - HG3 LYS 26 far 5 99 5 - 3.6-15.7 HD3 LYS 24 - HG3 LYS 26 far 5 99 5 - 3.7-11.0 HB2 LEU 98 - HG2 LYS 24 far 5 98 5 - 4.9-36.4 HD3 LYS 36 - HG3 LYS 31 far 4 82 5 - 4.6-13.4 HD3 LYS 19 - HG3 LYS 31 far 4 78 5 - 4.1-26.6 HD2 LYS 19 - HG3 LYS 31 far 4 78 5 - 4.6-25.3 HD3 LYS 26 - HG2 LYS 36 far 4 76 5 - 5.1-24.7 HD2 LYS 36 - HG2 LYS 24 far 0 98 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 77 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 86 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 96 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 86 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 77 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 98 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 77 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 96 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 77 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 73 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 89 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 77 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 83 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 77 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 100 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 77 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 99 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 60 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 93 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 93 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 69 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 92 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 73 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 68 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 519 from cnoeabs.peaks (1.66, 1.38, 24.62 ppm; 3.71 A): 10 out of 58 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.2-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 71 71 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 71 71 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 71 71 100 100 2.5-3.0 3.0=100 HD3 LYS 19 - HG2 LYS 24 poor 19 97 20 - 2.1-17.8 HD3 LYS 24 - HG2 LYS 19 poor 19 77 25 - 2.7-16.9 HD2 LYS 24 - HG2 LYS 19 poor 19 77 25 - 3.0-17.8 HD3 LYS 31 - HG3 LYS 26 far 15 99 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 14 97 15 - 3.2-16.1 HD2 LYS 36 - HG3 LYS 26 far 10 95 10 - 4.8-22.9 HD2 LYS 26 - HG3 LYS 31 far 9 86 10 - 4.8-17.0 HD3 LYS 26 - HG3 LYS 31 far 9 86 10 - 3.0-16.8 HD2 LYS 36 - HG3 LYS 31 far 8 81 10 - 4.8-13.4 HD3 LYS 26 - HG2 LYS 24 far 5 100 5 - 5.2-11.4 HD3 LYS 24 - HG3 LYS 26 far 5 99 5 - 3.7-11.0 HD2 LYS 31 - HG3 LYS 26 far 5 99 5 - 3.6-15.7 HB2 LEU 98 - HG2 LYS 24 far 5 99 5 - 4.9-36.4 HD3 LYS 36 - HG3 LYS 31 far 4 81 5 - 4.6-13.4 HD3 LYS 19 - HG3 LYS 31 far 4 80 5 - 4.1-26.6 HD2 LYS 19 - HG3 LYS 31 far 4 80 5 - 4.6-25.3 HD3 LYS 26 - HG2 LYS 36 far 4 76 5 - 5.1-24.7 HD2 LYS 36 - HG2 LYS 24 far 0 97 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 77 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 86 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 95 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 86 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 77 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 97 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 77 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 97 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 77 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 72 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 87 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 77 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 82 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 77 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 100 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 77 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 99 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 62 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 94 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 94 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 70 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 93 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 72 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 69 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 520 from cnoeabs.peaks (2.96, 1.38, 24.62 ppm; 4.52 A): 10 out of 54 assignments used, quality = 1.00: * HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 93 93 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 93 93 100 100 2.1-4.1 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 82 82 100 100 2.4-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 78 78 100 100 2.0-4.2 3.7=100 HE2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.3-3.2 3.8=100 HE2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.6-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 75 75 100 100 2.0-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 73 73 100 100 2.0-2.8 3.8=100 HE2 LYS 19 - HG2 LYS 24 poor 20 100 20 - 4.3-16.8 HE2 LYS 36 - HG3 LYS 31 poor 17 86 20 - 4.3-14.3 HE2 LYS 26 - HG3 LYS 31 poor 16 78 20 - 4.3-18.5 HE2 LYS 24 - HG2 LYS 19 poor 15 77 20 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 15 75 20 - 3.9-19.3 HE3 LYS 36 - HG3 LYS 26 far 15 98 15 - 4.4-24.9 HE2 LYS 31 - HG3 LYS 26 far 14 96 15 - 5.0-15.0 HE3 LYS 26 - HG2 LYS 36 poor 14 69 20 - 5.1-26.6 HB2 CYS 45 - HG2 LYS 36 poor 14 68 20 - 4.8-12.0 HE3 LYS 36 - HG3 LYS 31 far 13 84 15 - 4.5-14.3 HE3 LYS 26 - HG3 LYS 31 far 12 78 15 - 4.8-18.3 HE2 LYS 26 - HG2 LYS 36 far 10 69 15 - 5.0-27.0 HE2 LYS 36 - HG3 LYS 26 far 10 99 10 - 4.6-24.5 HE3 LYS 19 - HG2 LYS 24 far 10 98 10 - 3.6-18.0 HE3 LYS 31 - HG3 LYS 26 far 9 93 10 - 5.8-14.5 HE2 LYS 36 - HG2 LYS 24 far 5 100 5 - 4.2-26.3 HE3 LYS 36 - HG2 LYS 24 far 5 99 5 - 5.7-27.3 HE2 LYS 24 - HG3 LYS 26 far 5 99 5 - 5.0-12.3 HE3 LYS 24 - HG3 LYS 26 far 5 98 5 - 5.5-12.7 HE3 LYS 26 - HG2 LYS 24 far 5 96 5 - 5.4-12.1 HE2 LYS 26 - HG2 LYS 24 far 5 96 5 - 5.9-12.0 HE2 LYS 24 - HG3 LYS 31 far 4 86 5 - 4.1-18.0 HE3 LYS 24 - HG3 LYS 31 far 4 84 5 - 5.2-18.7 HB3 ASN 116 - HG2 LYS 24 far 4 78 5 - 5.9-34.7 HE2 LYS 31 - HG2 LYS 36 far 4 72 5 - 5.3-13.7 HE3 LYS 31 - HG2 LYS 36 far 3 69 5 - 5.1-14.9 HE2 LYS 24 - HG2 LYS 36 far 0 77 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 82 0 - 6.4-26.3 HG CYS 73 - HG2 LYS 36 far 0 58 0 - 6.4-14.5 HE3 LYS 31 - HG2 LYS 19 far 0 69 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 86 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 96 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 73 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 85 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 98 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 92 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 75 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 77 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 95 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 75 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 69 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 76 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 73 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 72 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 521 from cnoeabs.peaks (2.96, 1.38, 24.62 ppm; 4.55 A): 10 out of 53 assignments used, quality = 1.00: * HE3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.1-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.0-3.9 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.1-4.1 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.4-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 84 84 100 100 2.0-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 77 77 100 100 2.0-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.3-3.2 3.8=100 HE2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.6-4.2 4.0=100 HE2 LYS 19 - HG2 LYS 24 poor 20 100 20 - 4.3-16.8 HE3 LYS 24 - HG2 LYS 19 poor 19 77 25 - 3.9-19.3 HE2 LYS 36 - HG3 LYS 31 poor 17 85 20 - 4.3-14.3 HE2 LYS 26 - HG3 LYS 31 poor 17 84 20 - 4.3-18.5 HE3 LYS 26 - HG3 LYS 31 poor 17 84 20 - 4.8-18.3 HE2 LYS 24 - HG2 LYS 19 poor 15 75 20 - 2.9-18.6 HE3 LYS 26 - HG2 LYS 36 poor 15 75 20 - 5.1-26.6 HE3 LYS 36 - HG3 LYS 26 far 15 99 15 - 4.4-24.9 HE2 LYS 31 - HG3 LYS 26 far 15 99 15 - 5.0-15.0 HE3 LYS 36 - HG3 LYS 31 far 13 86 15 - 4.5-14.3 HB2 CYS 45 - HG2 LYS 36 poor 12 58 20 - 4.8-12.0 HE2 LYS 26 - HG2 LYS 36 far 11 75 15 - 5.0-27.0 HE3 LYS 19 - HG2 LYS 24 far 10 100 10 - 3.6-18.0 HE2 LYS 36 - HG3 LYS 26 far 10 99 10 - 4.6-24.5 HE3 LYS 31 - HG3 LYS 26 far 10 98 10 - 5.8-14.5 HE2 LYS 36 - HG2 LYS 24 far 5 100 5 - 4.2-26.3 HE3 LYS 36 - HG2 LYS 24 far 5 100 5 - 5.7-27.3 HE3 LYS 26 - HG2 LYS 24 far 5 99 5 - 5.4-12.1 HE2 LYS 26 - HG2 LYS 24 far 5 99 5 - 5.9-12.0 HE3 LYS 24 - HG3 LYS 26 far 5 99 5 - 5.5-12.7 HE2 LYS 24 - HG3 LYS 26 far 5 98 5 - 5.0-12.3 HE3 LYS 24 - HG3 LYS 31 far 4 86 5 - 5.2-18.7 HE2 LYS 24 - HG3 LYS 31 far 4 84 5 - 4.1-18.0 HE2 LYS 31 - HG2 LYS 36 far 4 76 5 - 5.3-13.7 HE3 LYS 31 - HG2 LYS 36 far 4 75 5 - 5.1-14.9 HB3 ASN 116 - HG2 LYS 24 far 3 63 5 - 5.9-34.7 HE2 LYS 24 - HG2 LYS 36 far 0 75 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 86 0 - 6.4-26.3 HG CYS 73 - HG2 LYS 36 far 0 47 0 - 6.4-14.5 HE3 LYS 31 - HG2 LYS 19 far 0 75 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 86 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 99 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 95 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 82 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 77 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 67 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 85 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 77 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 75 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 76 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 76 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 522 from cnoeabs.peaks (8.10, 1.38, 24.62 ppm; 4.88 A): 2 out of 14 assignments used, quality = 1.00: * H THR 25 + HG2 LYS 24 OK 100 100 100 100 1.8-5.8 6231/483=94...(46) H THR 25 + HG3 LYS 26 OK 73 99 75 99 2.7-8.3 6245/6253=75...(33) H THR 25 - HG3 LYS 31 poor 17 86 20 - 3.5-14.0 H THR 25 - HG2 LYS 19 far 8 77 10 - 5.0-18.2 H ALA 108 - HG3 LYS 26 far 0 76 0 - 7.3-30.8 H ALA 109 - HG3 LYS 26 far 0 80 0 - 7.3-31.5 H THR 25 - HG2 LYS 36 far 0 77 0 - 7.5-24.6 H ALA 108 - HG2 LYS 24 far 0 78 0 - 7.7-38.5 H ALA 109 - HG2 LYS 24 far 0 83 0 - 7.7-39.3 H LEU 103 - HG3 LYS 26 far 0 78 0 - 7.9-26.2 H ALA 108 - HG3 LYS 31 far 0 61 0 - 8.5-29.4 H ALA 109 - HG3 LYS 31 far 0 65 0 - 8.6-30.1 H ASN 121 - HG2 LYS 24 far 0 87 0 - 8.9-33.3 H ASN 120 - HG2 LYS 24 far 0 68 0 - 9.8-32.9 Violated in 0 structures by 0.00 A. Peak 523 from cnoeabs.peaks (8.37, 1.45, 24.62 ppm; 4.62 A): 5 out of 27 assignments used, quality = 1.00: * H LYS 24 + HG3 LYS 24 OK 100 100 100 100 1.8-4.1 6223=100, 6222/1.8=98...(29) H LYS 19 + HG3 LYS 19 OK 82 82 100 100 2.8-4.6 4.9=85, 6149/3.0=69...(51) H LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-4.5 6250/3.0=95, 6252=91...(54) H GLN 27 + HG2 LYS 26 OK 63 63 100 100 2.3-4.5 5.0=80, 6262/3.0=68...(25) H LYS 19 + HG3 LYS 24 OK 21 83 35 72 4.0-16.3 3.0/822=5, 6159/6164=4...(57) H LYS 26 - HG2 LYS 31 poor 19 97 25 77 3.2-15.2 6250/823=6, 2.9/822=6...(60) H LYS 26 - HG3 LYS 24 poor 17 100 35 50 3.6-8.8 6245/6235=38, 3.6/822=5...(5) H LYS 24 - HG3 LYS 19 far 15 100 15 - 4.5-15.4 H GLN 27 - HG2 LYS 31 far 12 79 15 - 5.4-13.4 H LYS 19 - HG2 LYS 31 far 12 77 15 - 4.7-23.1 H LYS 24 - HG2 LYS 31 far 10 97 10 - 4.6-17.3 H GLN 27 - HG3 LYS 24 far 8 85 10 - 4.2-11.5 H ASP 35 - HG2 LYS 26 far 7 66 10 - 3.7-23.0 H LYS 26 - HG3 LYS 19 far 5 100 5 - 4.5-22.1 H LYS 24 - HG2 LYS 26 poor 5 82 25 24 3.3-10.6 6228/6235=16, 424/627=2...(6) H ASP 35 - HG3 LYS 24 far 4 89 5 - 3.6-26.0 H THR 65 - HG2 LYS 26 far 4 75 5 - 5.4-21.9 H GLY 14 - HG3 LYS 19 lone 1 100 30 2 2.8-16.6 10659/1.8=1 H THR 65 - HG2 LYS 31 far 0 92 0 - 6.9-19.3 H GLY 14 - HG3 LYS 24 far 0 100 0 - 7.0-23.7 H HIS 3 - HG2 LYS 31 far 0 93 0 - 7.0-50.0 H GLN 27 - HG3 LYS 19 far 0 84 0 - 7.2-23.2 H ASP 35 - HG2 LYS 31 far 0 83 0 - 7.4-13.1 H LYS 19 - HG2 LYS 26 far 0 61 0 - 7.9-23.1 H GLY 14 - HG2 LYS 31 far 0 97 0 - 7.9-23.6 H THR 65 - HG3 LYS 24 far 0 97 0 - 8.4-23.2 H THR 65 - HG3 LYS 19 far 0 96 0 - 9.8-33.0 Violated in 0 structures by 0.00 A. Peak 524 from cnoeabs.peaks (4.33, 1.45, 24.62 ppm; 3.81 A): 1 out of 11 assignments used, quality = 1.00: * HA LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-4.2 484=100, 483/1.8=92...(34) HA LYS 24 - HG2 LYS 31 far 10 97 10 - 3.7-16.9 HA LYS 24 - HG2 LYS 26 far 8 82 10 - 4.0-10.3 HA ASP 47 - HG2 LYS 26 far 4 78 5 - 3.4-26.3 HA ASP 47 - HG3 LYS 19 far 0 98 0 - 5.4-40.0 HA LYS 24 - HG3 LYS 19 far 0 100 0 - 5.6-16.0 HA LEU 69 - HG2 LYS 31 far 0 97 0 - 7.4-17.6 HA ASN 59 - HG2 LYS 26 far 0 82 0 - 7.5-23.3 HA2 GLY 75 - HG2 LYS 31 far 0 83 0 - 8.8-24.0 HA TYR 76 - HG3 LYS 19 far 0 75 0 - 9.4-37.1 HA LEU 69 - HG2 LYS 26 far 0 81 0 - 9.5-20.9 Violated in 9 structures by 0.12 A. Peak 525 from cnoeabs.peaks (1.75, 1.45, 24.62 ppm; 4.19 A): 7 out of 24 assignments used, quality = 1.00: * HB2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 81 81 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HG2 LYS 26 OK 28 81 35 97 1.9-15.6 639/1.8=8, 1.8/629=7...(137) HB2 LYS 19 + HG3 LYS 24 OK 25 100 30 83 3.6-16.4 3.0/822=5, 803=4...(61) HB2 LYS 26 + HG2 LYS 31 OK 23 97 25 97 3.5-15.2 1.8/989=6, 799/5.0=5...(139) HB2 LYS 24 - HG3 LYS 19 far 15 100 15 - 2.7-16.0 HB2 LYS 24 - HG2 LYS 31 far 15 97 15 - 4.1-17.7 HB2 LYS 24 - HG2 LYS 26 far 12 82 15 - 5.2-11.5 HB2 ARG 23 - HG2 LYS 26 poor 12 78 35 44 2.9-13.2 433/6252=4, 834/1.8=2...(16) HB2 LYS 19 - HG2 LYS 31 far 10 97 10 - 3.6-24.3 HB2 LYS 26 - HG3 LYS 24 far 5 100 5 - 2.9-11.4 HB2 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.6-28.5 HB2 ARG 23 - HG3 LYS 24 far 5 99 5 - 5.7-8.6 HB2 ARG 23 - HG2 LYS 31 far 5 95 5 - 3.9-18.6 HB2 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.0-24.0 HB2 LYS 19 - HG2 LYS 26 far 0 81 0 - 6.0-23.9 HB2 LYS 31 - HG3 LYS 24 far 0 100 0 - 6.7-18.1 HB2 ARG 23 - HG3 LYS 19 far 0 98 0 - 7.5-15.3 HG LEU 100 - HG2 LYS 26 far 0 40 0 - 9.3-23.0 HB2 LEU 43 - HG2 LYS 26 far 0 61 0 - 9.6-29.1 HB2 LYS 39 - HG3 LYS 24 far 0 93 0 - 9.7-30.3 HB2 LYS 39 - HG3 LYS 19 far 0 93 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 526 from cnoeabs.peaks (1.81, 1.45, 24.62 ppm; 3.89 A): 7 out of 33 assignments used, quality = 1.00: * HB3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 80 80 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 31 OK 31 96 35 93 3.6-16.1 989=7, 1.8/823=6...(137) HB3 LYS 31 + HG2 LYS 26 OK 31 82 40 95 2.5-17.3 619=7, 1.8/628=6...(114) HB3 LYS 19 + HG3 LYS 24 OK 22 100 30 75 2.0-15.5 1.8/823=4, 3.0/822=4...(26) HB ILE 32 - HG2 LYS 26 poor 16 81 20 - 3.7-17.7 HB3 ARG 23 - HG2 LYS 26 poor 10 77 35 37 2.0-12.6 442/6252=5, 1.8/525=2...(10) HB3 LYS 24 - HG3 LYS 19 far 10 100 10 - 3.9-16.0 HB3 ARG 23 - HG2 LYS 31 far 9 94 10 - 4.4-18.6 HB2 LYS 36 - HG2 LYS 26 far 8 81 10 - 4.0-27.3 HB3 LYS 31 - HG3 LYS 24 far 5 100 5 - 5.0-17.6 HB3 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.5-27.7 HB3 LYS 26 - HG3 LYS 24 far 5 100 5 - 3.6-11.7 HB3 LYS 24 - HG2 LYS 31 far 5 97 5 - 4.5-18.4 HB3 LYS 19 - HG2 LYS 31 far 5 97 5 - 4.2-25.3 HB2 LYS 36 - HG2 LYS 31 far 5 97 5 - 3.7-16.4 HB3 LEU 98 - HG3 LYS 24 far 3 60 5 - 3.0-34.9 HB3 LYS 24 - HG2 LYS 26 far 0 82 0 - 5.5-11.9 HB2 LYS 36 - HG3 LYS 24 far 0 100 0 - 5.5-27.7 HB3 LYS 26 - HG3 LYS 19 far 0 99 0 - 5.6-24.0 HB3 ARG 23 - HG3 LYS 24 far 0 98 0 - 6.1-8.0 HB ILE 32 - HG2 LYS 31 far 0 97 0 - 6.4-8.5 HB3 LYS 19 - HG2 LYS 26 far 0 82 0 - 6.8-23.3 HB ILE 32 - HG3 LYS 24 far 0 100 0 - 6.8-18.6 HB2 CYS 79 - HG3 LYS 19 far 0 70 0 - 7.5-38.9 HB3 LEU 122 - HG3 LYS 24 far 0 83 0 - 7.8-29.5 HB3 ARG 23 - HG3 LYS 19 far 0 98 0 - 8.1-15.4 HB3 LEU 103 - HG2 LYS 26 far 0 59 0 - 8.4-24.6 HB3 LEU 98 - HG2 LYS 26 far 0 42 0 - 8.7-28.6 HB2 LEU 100 - HG2 LYS 26 far 0 78 0 - 9.8-23.7 HB ILE 32 - HG3 LYS 19 far 0 100 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 527 from cnoeabs.peaks (1.38, 1.45, 24.62 ppm; 2.50 A): 4 out of 52 assignments used, quality = 1.00: * HG2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 31 + HG2 LYS 31 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 91 91 100 100 1.8-1.8 1.8=100 HG3 LYS 26 + HG2 LYS 26 OK 82 82 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 31 far 14 97 15 - 2.8-9.3 QB ALA 12 - HG3 LYS 19 far 12 82 15 - 2.7-16.5 QB ALA 15 - HG3 LYS 24 far 5 100 5 - 2.8-17.3 QB ALA 29 - HG3 LYS 24 far 5 100 5 - 3.5-13.3 QB ALA 15 - HG3 LYS 19 far 5 100 5 - 2.8-13.3 QB ALA 108 - HG3 LYS 24 far 5 100 5 - 3.1-32.2 QB ALA 28 - HG3 LYS 24 far 5 100 5 - 3.9-12.7 QB ALA 15 - HG2 LYS 31 far 5 97 5 - 2.6-22.0 HG3 LYS 26 - HG2 LYS 31 far 5 97 5 - 3.8-16.9 HG2 LYS 19 - HG3 LYS 24 far 5 92 5 - 2.1-17.9 QB ALA 16 - HG3 LYS 19 far 4 70 5 - 3.6-10.3 HG2 LYS 24 - HG3 LYS 19 far 0 100 0 - 4.1-17.9 QB ALA 110 - HG2 LYS 26 far 0 81 0 - 4.2-29.3 QB ALA 16 - HG2 LYS 31 far 0 66 0 - 4.4-24.2 HG3 LYS 26 - HG3 LYS 24 far 0 100 0 - 4.4-11.5 HG3 LYS 31 - HG3 LYS 19 far 0 96 0 - 4.5-25.5 QB ALA 29 - HG2 LYS 31 far 0 97 0 - 4.5-9.2 QB ALA 28 - HG3 LYS 19 far 0 100 0 - 4.5-20.6 HG3 LYS 31 - HG2 LYS 26 far 0 75 0 - 4.7-16.4 HG2 LYS 24 - HG2 LYS 26 far 0 82 0 - 4.7-11.2 QB ALA 108 - HG2 LYS 26 far 0 80 0 - 4.8-24.8 QB ALA 16 - HG3 LYS 24 far 0 71 0 - 4.9-17.0 QB ALA 12 - HG2 LYS 31 far 0 77 0 - 5.1-21.9 HG3 LYS 95 - HG3 LYS 24 far 0 99 0 - 5.2-35.5 HG2 LYS 24 - HG2 LYS 31 far 0 97 0 - 5.6-17.7 HG2 LYS 19 - HG2 LYS 31 far 0 87 0 - 5.6-25.5 QB ALA 109 - HG2 LYS 26 far 0 77 0 - 5.6-28.0 HG3 LYS 31 - HG3 LYS 24 far 0 97 0 - 5.7-17.0 QB ALA 28 - HG2 LYS 26 far 0 81 0 - 5.9-8.4 QB ALA 29 - HG2 LYS 26 far 0 82 0 - 6.0-10.1 QB ALA 109 - HG3 LYS 19 far 0 98 0 - 6.0-42.7 HG2 LYS 36 - HG3 LYS 24 far 0 100 0 - 6.1-25.7 HG2 LYS 95 - HG3 LYS 24 far 0 99 0 - 6.2-35.3 HG2 LYS 36 - HG2 LYS 31 far 0 97 0 - 6.3-14.0 HG2 LYS 36 - HG2 LYS 26 far 0 82 0 - 6.3-25.0 QB ALA 12 - HG3 LYS 24 far 0 83 0 - 6.4-17.3 QB ALA 110 - HG3 LYS 19 far 0 100 0 - 7.3-45.2 QB ALA 109 - HG3 LYS 24 far 0 98 0 - 7.4-33.8 QB ALA 29 - HG3 LYS 19 far 0 100 0 - 7.7-21.6 HG3 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.8-23.7 HG2 LYS 36 - HG3 LYS 19 far 0 100 0 - 8.2-34.3 QB ALA 15 - HG2 LYS 26 far 0 81 0 - 8.2-21.4 HG2 LYS 19 - HG2 LYS 26 far 0 70 0 - 8.7-25.7 QB ALA 108 - HG2 LYS 31 far 0 96 0 - 8.8-25.8 QB ALA 108 - HG3 LYS 19 far 0 99 0 - 8.8-41.7 QB ALA 16 - HG2 LYS 26 far 0 51 0 - 9.4-22.0 QB ALA 110 - HG3 LYS 24 far 0 100 0 - 9.6-37.0 QB ALA 12 - HG2 LYS 26 far 0 61 0 - 9.8-21.9 Violated in 0 structures by 0.00 A. Peak 528 from cnoeabs.peaks (1.45, 1.45, 24.62 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 24 + HG3 LYS 24 OK 100 100 - 100 HG3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 HG2 LYS 31 + HG2 LYS 31 OK 97 97 - 100 HG2 LYS 26 + HG2 LYS 26 OK 73 73 - 100 Peak 529 from cnoeabs.peaks (1.66, 1.45, 24.62 ppm; 3.83 A): 9 out of 45 assignments used, quality = 1.00: * HD2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.3-3.0 2.9=100 HD3 LYS 19 + HG3 LYS 19 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 81 81 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG2 LYS 31 OK 23 97 25 94 4.2-17.6 3.5/823=4, 3.5/989=3...(140) HD3 LYS 24 - HG3 LYS 19 poor 20 100 20 - 4.4-17.3 HD2 LYS 24 - HG3 LYS 19 far 15 100 15 - 4.4-17.3 HD3 LYS 19 - HG3 LYS 24 poor 11 96 25 47 2.0-17.8 3.9/823=3, 5.2/822=2...(4) HD2 LYS 19 - HG3 LYS 24 poor 10 96 25 44 2.7-16.7 3.9/823=3, 5.2/822=2...(4) HD2 LYS 26 - HG2 LYS 31 far 10 97 10 - 3.5-18.0 HD3 LYS 31 - HG2 LYS 26 far 8 82 10 - 4.2-16.2 HB2 LEU 98 - HG3 LYS 24 far 5 98 5 - 3.2-36.3 HD2 LYS 36 - HG3 LYS 24 far 5 98 5 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 5 94 5 - 5.3-13.7 HD3 LYS 24 - HG2 LYS 26 far 4 82 5 - 3.7-12.2 HD2 LYS 31 - HG2 LYS 26 far 4 82 5 - 5.0-16.2 HD2 LYS 24 - HG2 LYS 26 far 4 82 5 - 5.1-12.8 HD2 LYS 36 - HG2 LYS 26 far 4 77 5 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 31 far 0 97 0 - 5.5-17.2 HD3 LYS 19 - HG2 LYS 31 far 0 91 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 91 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 77 0 - 5.7-24.0 HD3 LYS 26 - HG3 LYS 24 far 0 100 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 94 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 100 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 97 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 98 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 100 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 77 0 - 7.1-30.0 HB2 LEU 69 - HG2 LYS 31 far 0 95 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 100 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 99 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 100 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 89 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 74 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 74 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 73 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 530 from cnoeabs.peaks (1.66, 1.45, 24.62 ppm; 3.83 A): 9 out of 45 assignments used, quality = 1.00: * HD3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 82 82 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG2 LYS 31 OK 23 97 25 94 4.2-17.6 3.5/823=4, 3.5/989=3...(140) HD3 LYS 24 - HG3 LYS 19 poor 20 100 20 - 4.4-17.3 HD2 LYS 24 - HG3 LYS 19 far 15 100 15 - 4.4-17.3 HD3 LYS 19 - HG3 LYS 24 poor 12 97 25 48 2.0-17.8 3.9/823=3, 5.2/822=2...(4) HD2 LYS 19 - HG3 LYS 24 poor 11 97 25 44 2.7-16.7 3.9/823=3, 5.2/822=2...(4) HD2 LYS 26 - HG2 LYS 31 far 10 97 10 - 3.5-18.0 HD3 LYS 31 - HG2 LYS 26 far 8 82 10 - 4.2-16.2 HB2 LEU 98 - HG3 LYS 24 far 5 99 5 - 3.2-36.3 HD2 LYS 36 - HG3 LYS 24 far 5 97 5 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 5 93 5 - 5.3-13.7 HD3 LYS 24 - HG2 LYS 26 far 4 82 5 - 3.7-12.2 HD2 LYS 31 - HG2 LYS 26 far 4 82 5 - 5.0-16.2 HD2 LYS 24 - HG2 LYS 26 far 4 82 5 - 5.1-12.8 HD2 LYS 36 - HG2 LYS 26 far 4 76 5 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 31 far 0 97 0 - 5.5-17.2 HD3 LYS 19 - HG2 LYS 31 far 0 92 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 92 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 76 0 - 5.7-24.0 HD3 LYS 26 - HG3 LYS 24 far 0 100 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 93 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 100 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 97 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 97 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 100 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 78 0 - 7.1-30.0 HB2 LEU 69 - HG2 LYS 31 far 0 94 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 100 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 100 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 99 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 100 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 87 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 75 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 75 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 74 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 531 from cnoeabs.peaks (2.96, 1.45, 24.62 ppm; 4.95 A): 10 out of 42 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.2-4.2 4.0=100 HE3 LYS 19 + HG3 LYS 19 OK 98 98 100 100 2.3-3.8 3.8=100 HE2 LYS 31 + HG2 LYS 31 OK 94 94 100 100 2.3-4.1 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 91 91 100 100 2.1-4.2 3.7=100 HE2 LYS 26 + HG2 LYS 26 OK 74 74 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 74 74 100 100 2.0-4.0 3.6=100 HE2 LYS 24 + HG3 LYS 19 OK 26 100 30 88 3.4-18.5 2634/3.0=3, 11770/4.2=3...(106) HE3 LYS 26 + HG2 LYS 31 OK 22 91 25 95 5.3-19.4 4.8/823=5, 6337/5.0=4...(171) HE3 LYS 36 - HG2 LYS 26 poor 20 80 25 - 3.8-24.9 HE3 LYS 24 - HG3 LYS 19 poor 20 99 20 - 4.8-19.1 HE3 LYS 36 - HG2 LYS 31 poor 19 96 20 - 5.4-14.2 HE2 LYS 26 - HG2 LYS 31 poor 18 91 20 - 3.8-19.7 HE2 LYS 31 - HG2 LYS 26 poor 15 77 20 - 5.4-15.0 HE2 LYS 19 - HG3 LYS 24 poor 15 100 25 61 3.7-17.8 5.1/823=3, 6.4/822=3...(9) HE3 LYS 19 - HG3 LYS 24 poor 15 98 25 61 4.5-18.1 5.1/823=3, 6.4/822=3...(9) HE2 LYS 36 - HG2 LYS 31 far 15 97 15 - 4.9-14.4 HE3 LYS 31 - HG2 LYS 26 far 7 74 10 - 6.0-14.4 HE2 LYS 36 - HG3 LYS 24 far 5 100 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 5 99 5 - 4.8-25.5 HE2 LYS 24 - HG2 LYS 31 far 5 97 5 - 3.3-18.4 HE3 LYS 24 - HG2 LYS 31 far 5 96 5 - 4.0-19.0 HE2 LYS 24 - HG2 LYS 26 far 4 82 5 - 5.9-13.2 HE2 LYS 36 - HG2 LYS 26 lone 4 82 30 16 4.1-24.5 10766/908=1 HE3 LYS 24 - HG2 LYS 26 far 4 80 5 - 6.0-13.5 HE3 LYS 26 - HG3 LYS 24 far 0 96 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 96 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 78 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 85 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 95 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 90 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 94 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 98 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 97 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 95 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 73 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 96 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 98 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 95 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 95 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 99 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 532 from cnoeabs.peaks (2.96, 1.45, 24.62 ppm; 4.98 A): 10 out of 42 assignments used, quality = 1.00: * HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.0-3.9 4.0=100 HE2 LYS 31 + HG2 LYS 31 OK 97 97 100 100 2.3-4.1 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 96 96 100 100 2.1-4.2 3.7=100 HE2 LYS 26 + HG2 LYS 26 OK 80 80 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 80 80 100 100 2.0-4.0 3.6=100 HE2 LYS 24 + HG3 LYS 19 OK 26 99 30 88 3.4-18.5 2634/3.0=3, 11770/4.2=3...(122) HE3 LYS 26 + HG2 LYS 31 OK 23 96 25 95 5.3-19.4 4.8/823=5, 6337/5.0=4...(171) HE3 LYS 24 - HG3 LYS 19 poor 20 100 20 - 4.8-19.1 HE3 LYS 36 - HG2 LYS 31 poor 19 97 20 - 5.4-14.2 HE2 LYS 26 - HG2 LYS 31 poor 19 96 20 - 3.8-19.7 HE2 LYS 31 - HG2 LYS 26 poor 16 81 20 - 5.4-15.0 HE3 LYS 19 - HG3 LYS 24 poor 15 100 25 62 4.5-18.1 5.1/823=3, 6.4/822=3...(9) HE2 LYS 19 - HG3 LYS 24 poor 15 100 25 62 3.7-17.8 5.1/823=3, 6.4/822=3...(9) HE2 LYS 36 - HG2 LYS 31 far 14 97 15 - 4.9-14.4 HE3 LYS 26 - HG3 LYS 24 far 10 99 10 - 6.5-13.4 HE2 LYS 24 - HG2 LYS 31 far 10 96 10 - 3.3-18.4 HE3 LYS 31 - HG2 LYS 26 far 8 80 10 - 6.0-14.4 HE2 LYS 36 - HG3 LYS 24 far 5 100 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 5 100 5 - 4.8-25.5 HE3 LYS 24 - HG2 LYS 31 far 5 97 5 - 4.0-19.0 HE3 LYS 24 - HG2 LYS 26 far 4 82 5 - 6.0-13.5 HE2 LYS 36 - HG2 LYS 26 lone 4 81 30 16 4.1-24.5 10766/908=1 HE2 LYS 24 - HG2 LYS 26 far 4 80 5 - 5.9-13.2 HE3 LYS 36 - HG2 LYS 26 lone 3 82 25 13 3.8-24.9 10757/908=2 HE2 LYS 26 - HG3 LYS 24 far 0 99 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 63 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 95 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 99 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 79 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 97 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 97 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 99 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 63 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 99 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 99 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 85 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 100 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 534 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 19 out of 66 assignments used, quality = 1.00: * H LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-5.6 5.9=100 H LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-5.9 5.9=100 H LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-5.7 5.7=100 H LYS 26 + HD3 LYS 26 OK 100 100 100 100 3.5-5.4 5.7=100 H GLN 27 + HD2 LYS 26 OK 85 85 100 100 2.0-6.3 6262/3.5=77, 6263/3.5=76...(23) H GLN 27 + HD3 LYS 26 OK 84 84 100 100 3.5-5.7 6262/3.5=77, 6263/3.5=76...(22) H ASP 35 + HD2 LYS 36 OK 79 79 100 100 2.4-7.7 6387/6.1=74...(14) H ASP 35 + HD3 LYS 36 OK 79 79 100 99 3.1-7.2 6387/6.1=74...(13) H LYS 19 + HD2 LYS 19 OK 66 66 100 100 1.9-5.3 6.2=100 H LYS 19 + HD3 LYS 19 OK 66 66 100 100 3.3-5.1 6.2=100 H LYS 26 + HD3 LYS 31 OK 63 100 65 96 5.2-13.7 6295/10771=12, ~790=7...(96) H LYS 26 + HD3 LYS 24 OK 58 100 80 73 3.0-10.1 6245/544=34...(8) H LYS 26 + HD2 LYS 31 OK 58 100 60 96 5.1-14.0 6295/10771=14, ~790=7...(91) H LYS 26 + HD2 LYS 24 OK 46 100 65 71 3.6-10.0 6245/544=36...(8) H LYS 19 + HD2 LYS 24 OK 35 83 45 94 5.4-15.5 ~822=6, 523/3.0=5...(88) H LYS 19 + HD3 LYS 24 OK 35 83 45 93 3.9-15.4 ~822=6, 523/3.0=5...(86) H LYS 24 + HD2 LYS 26 OK 24 100 70 35 4.6-11.7 6228/6236=20...(8) H GLN 27 + HD2 LYS 31 OK 23 85 50 53 5.5-12.0 4.6/10771=42, 6266=4...(7) H GLN 27 + HD3 LYS 31 OK 20 85 50 48 4.9-12.0 4.6/10771=35, 6266/1.8=4...(7) H LYS 24 - HD3 LYS 26 poor 19 100 60 32 5.8-10.7 6228/6237=14...(9) H LYS 24 - HD3 LYS 31 far 15 100 15 - 6.9-18.4 H LYS 26 - HD2 LYS 36 far 14 94 15 - 6.3-21.8 H LYS 26 - HD3 LYS 36 far 14 94 15 - 7.4-22.6 H LYS 19 - HD2 LYS 31 far 12 83 15 - 5.6-22.1 H GLN 27 - HD2 LYS 36 far 11 75 15 - 7.6-19.6 H GLY 14 - HD2 LYS 24 far 10 100 10 - 7.0-23.3 H GLY 14 - HD3 LYS 24 far 10 100 10 - 7.6-22.9 H THR 65 - HD2 LYS 31 far 10 97 10 - 4.7-21.2 H THR 65 - HD3 LYS 31 far 10 96 10 - 5.0-20.3 H THR 65 - HD2 LYS 24 far 10 97 10 - 7.9-25.1 H THR 65 - HD3 LYS 26 far 10 96 10 - 7.3-23.6 H ASP 35 - HD2 LYS 24 far 9 89 10 - 6.2-25.7 H ASP 35 - HD3 LYS 24 far 9 89 10 - 5.7-27.1 H ASP 35 - HD2 LYS 31 far 9 89 10 - 7.3-13.8 H THR 65 - HD2 LYS 36 far 9 88 10 - 7.2-16.7 H LYS 26 - HD3 LYS 19 far 9 87 10 - 5.0-22.4 H LYS 19 - HD3 LYS 31 far 8 83 10 - 6.3-22.9 H GLN 27 - HD3 LYS 19 far 7 68 10 - 7.6-23.8 H GLN 27 - HD2 LYS 19 far 7 68 10 - 7.9-22.1 H GLN 27 - HD2 LYS 24 lone 6 85 45 17 3.3-12.1 4.6/6255=7...(4) H GLY 14 - HD3 LYS 31 far 5 100 5 - 7.7-24.5 H HIS 3 - HD3 LYS 31 far 5 97 5 - 7.2-51.0 H HIS 3 - HD2 LYS 31 far 5 97 5 - 7.8-51.2 H THR 65 - HD2 LYS 26 far 5 96 5 - 6.2-24.3 H THR 65 - HD3 LYS 24 far 5 96 5 - 6.6-24.1 H LYS 24 - HD2 LYS 36 far 5 94 5 - 5.7-24.8 H ASP 35 - HD3 LYS 26 lone 5 88 45 12 4.8-23.5 11784/10812=5...(3) H LYS 24 - HD2 LYS 19 lone 5 87 35 15 5.3-14.1 424/5.2=6, 6223/828=2...(5) H LYS 24 - HD3 LYS 36 far 5 94 5 - 7.3-25.4 H ASP 35 - HD2 LYS 26 lone 5 89 40 13 4.4-23.7 11784/10837=5...(4) H ASP 35 - HD3 LYS 31 far 4 89 5 - 8.1-13.1 H THR 65 - HD3 LYS 36 far 4 88 5 - 8.1-16.3 H LYS 26 - HD2 LYS 19 far 4 87 5 - 5.4-20.7 H LYS 19 - HD2 LYS 26 far 4 83 5 - 7.1-20.9 H LYS 19 - HD3 LYS 26 far 4 82 5 - 6.6-21.2 H GLN 27 - HD3 LYS 24 lone 4 85 25 18 1.8-12.6 10758/10696=7...(3) H GLN 27 - HD3 LYS 36 far 4 75 5 - 6.2-20.4 H LYS 19 - HD3 LYS 36 far 4 73 5 - 7.2-31.2 H LYS 19 - HD2 LYS 36 far 4 73 5 - 7.9-30.4 H LYS 24 - HD3 LYS 19 lone 3 87 25 14 4.0-15.8 424/5.2=6, 6223/828=2...(4) H GLY 14 - HD2 LYS 19 lone 2 86 50 5 2.6-18.0 10659/3.0=1 H GLY 14 - HD3 LYS 19 lone 2 86 40 5 4.3-18.2 10659/3.0=1 H LYS 24 - HD2 LYS 31 lone 1 100 20 4 5.7-17.0 6295/10771=1 H THR 65 - HD3 LYS 19 far 0 80 0 - 8.9-31.2 H GLY 14 - HD2 LYS 31 far 0 100 0 - 9.2-24.0 H HIS 3 - HD2 LYS 26 far 0 97 0 - 9.6-54.3 Violated in 0 structures by 0.00 A. Peak 535 from cnoeabs.peaks (4.33, 1.66, 28.90 ppm; 3.86 A): 2 out of 38 assignments used, quality = 1.00: HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-5.0 483/3.0=73, 482/3.5=67...(33) * HA LYS 24 + HD2 LYS 24 OK 95 100 95 100 2.5-5.5 483/3.0=73, 482/3.5=67...(32) HA LEU 69 - HD2 LYS 36 far 14 93 15 - 4.0-9.1 HA LYS 24 - HD2 LYS 31 far 10 100 10 - 3.4-16.8 HA LYS 24 - HD2 LYS 26 far 10 100 10 - 4.2-10.7 HA LYS 24 - HD3 LYS 19 far 9 87 10 - 4.4-16.0 HA LYS 24 - HD3 LYS 31 far 5 100 5 - 4.9-18.1 HA LYS 24 - HD2 LYS 36 far 5 94 5 - 3.2-22.6 HA LYS 24 - HD3 LYS 36 far 5 94 5 - 4.9-23.1 HA LEU 69 - HD3 LYS 36 far 5 93 5 - 3.7-10.4 HA LYS 24 - HD3 LYS 26 far 0 100 0 - 5.5-10.1 HA ASP 47 - HD2 LYS 26 far 0 99 0 - 5.8-27.9 HA2 GLY 75 - HD3 LYS 31 far 0 89 0 - 6.1-22.6 HA ASP 47 - HD3 LYS 26 far 0 98 0 - 6.1-27.8 HA LYS 24 - HD2 LYS 19 far 0 87 0 - 6.1-15.5 HA ASP 47 - HD2 LYS 19 far 0 83 0 - 6.6-39.9 HA LEU 69 - HD2 LYS 31 far 0 100 0 - 6.8-16.3 HA2 GLY 75 - HD2 LYS 36 far 0 79 0 - 6.8-16.7 HA TYR 76 - HD3 LYS 36 far 0 66 0 - 7.0-17.1 HA TYR 76 - HD2 LYS 36 far 0 66 0 - 7.1-17.2 HA2 GLY 75 - HD3 LYS 36 far 0 79 0 - 7.3-17.0 HA ASN 59 - HD3 LYS 26 far 0 100 0 - 7.7-23.3 HA2 GLY 75 - HD2 LYS 31 far 0 89 0 - 7.7-22.5 HA2 GLY 75 - HD3 LYS 26 far 0 88 0 - 7.9-26.4 HA ASP 47 - HD3 LYS 19 far 0 83 0 - 8.1-41.4 HA LEU 69 - HD3 LYS 31 far 0 100 0 - 8.3-16.6 HA ASP 47 - HD2 LYS 24 far 0 99 0 - 8.6-31.6 HA2 GLY 75 - HD2 LYS 26 far 0 89 0 - 8.8-26.1 HA LEU 69 - HD3 LYS 26 far 0 99 0 - 9.0-21.9 HA ASN 59 - HD2 LYS 26 far 0 100 0 - 9.1-23.9 HA ASP 47 - HD3 LYS 24 far 0 99 0 - 9.3-30.3 HA PRO 81 - HD3 LYS 19 far 0 87 0 - 9.4-46.4 HA ASN 59 - HD2 LYS 19 far 0 87 0 - 9.4-38.8 HA ASP 47 - HD3 LYS 36 far 0 91 0 - 9.4-18.3 HA GLN 134 - HD3 LYS 24 far 0 87 0 - 9.6-34.6 HA LEU 69 - HD2 LYS 26 far 0 100 0 - 9.8-22.4 HA LEU 69 - HD3 LYS 24 far 0 100 0 - 9.9-24.3 HA ASP 47 - HD2 LYS 36 far 0 91 0 - 9.9-18.5 Violated in 2 structures by 0.03 A. Peak 536 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 4.35 A): 13 out of 64 assignments used, quality = 1.00: * HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 43 99 45 97 2.4-15.6 639/2.9=7, 628/2.9=7...(117) HB2 LYS 31 + HD2 LYS 26 OK 39 100 40 98 3.3-16.0 639/2.9=7, 628/2.9=7...(145) HB2 LYS 26 + HD2 LYS 31 OK 29 100 30 98 4.5-13.8 10770/10771=15...(175) HB2 LYS 26 + HD3 LYS 31 OK 25 100 25 99 4.1-13.7 10770/10771=13...(196) HB2 LYS 19 + HD3 LYS 24 OK 23 100 25 94 4.7-15.4 823/3.0=4, 1.8/2632=3...(135) HB2 ARG 23 - HD2 LYS 26 poor 20 99 20 - 2.0-13.7 HB2 ARG 23 - HD3 LYS 26 poor 17 98 25 71 3.3-13.9 3.7/11449=13...(22) HB2 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.7-16.1 HB2 LYS 24 - HD2 LYS 19 poor 12 87 30 45 4.1-16.1 790/5.2=1, 514/3.0=1...(4) HB2 LYS 24 - HD3 LYS 19 poor 10 87 25 48 2.7-16.8 790/5.2=1, 514/3.0=1...(5) HB2 ARG 23 - HD3 LYS 24 far 10 99 10 - 4.5-9.5 HB2 LYS 26 - HD3 LYS 24 far 5 100 5 - 2.0-12.6 HB2 LYS 26 - HD2 LYS 24 far 5 100 5 - 3.6-12.6 HB2 LYS 24 - HD2 LYS 31 far 5 100 5 - 4.7-17.2 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-23.5 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.1-23.0 HB2 LYS 19 - HD3 LYS 26 far 5 100 5 - 5.6-21.9 HB2 ARG 23 - HD2 LYS 31 far 5 99 5 - 5.5-17.1 HB2 ARG 23 - HD2 LYS 24 far 5 99 5 - 5.8-9.7 HB2 LYS 24 - HD2 LYS 36 far 5 94 5 - 3.0-25.5 HB2 LYS 24 - HD3 LYS 36 far 5 94 5 - 4.2-25.9 HB2 LYS 26 - HD2 LYS 36 far 5 94 5 - 5.6-20.8 HB2 LYS 31 - HD2 LYS 36 far 5 93 5 - 5.5-12.6 HB2 ARG 23 - HD3 LYS 36 far 5 91 5 - 5.5-23.2 HB2 LYS 31 - HD2 LYS 19 far 4 86 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 4 86 5 - 5.5-29.5 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.9-18.6 HB2 ARG 23 - HD2 LYS 36 far 0 91 0 - 6.0-22.4 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.1-12.1 HB2 LYS 26 - HD3 LYS 36 far 0 94 0 - 6.1-21.8 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.2-19.4 HB2 ARG 23 - HD3 LYS 31 far 0 99 0 - 6.2-18.0 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.2-21.7 HB2 ARG 23 - HD2 LYS 19 far 0 83 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 93 0 - 6.5-12.1 HB2 LYS 26 - HD3 LYS 19 far 0 86 0 - 6.6-24.6 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.7-18.3 HB2 LEU 43 - HD3 LYS 36 far 0 73 0 - 7.0-17.8 HB2 LYS 26 - HD2 LYS 19 far 0 86 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 84 0 - 7.5-15.4 HB2 LEU 43 - HD3 LYS 24 far 0 83 0 - 7.6-30.2 HB2 LEU 43 - HD2 LYS 36 far 0 73 0 - 7.7-16.6 HB2 ARG 23 - HD3 LYS 19 far 0 83 0 - 8.0-15.0 HB2 LEU 43 - HD2 LYS 24 far 0 83 0 - 8.4-31.6 HB2 LYS 39 - HD3 LYS 24 far 0 93 0 - 8.5-31.4 HB2 LEU 43 - HD2 LYS 31 far 0 83 0 - 8.6-24.3 HB2 LYS 39 - HD2 LYS 36 far 0 84 0 - 8.9-14.2 HB2 LYS 19 - HD3 LYS 36 far 0 94 0 - 9.2-30.9 HB2 LEU 43 - HD3 LYS 31 far 0 83 0 - 9.5-22.7 HG LEU 100 - HD2 LYS 31 far 0 57 0 - 9.6-21.5 HB2 LEU 43 - HD3 LYS 26 far 0 82 0 - 9.7-30.1 HB2 LYS 39 - HD2 LYS 19 far 0 76 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 57 0 - 9.9-21.8 HB2 LEU 43 - HD2 LYS 26 far 0 83 0 - 9.9-30.2 HB2 LYS 39 - HD2 LYS 24 far 0 93 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 537 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.22 A): 20 out of 75 assignments used, quality = 1.00: * HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-4.1 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.0-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.1-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.1-3.7 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.7 3.9=100 HB ILE 32 + HD2 LYS 36 OK 70 93 75 100 2.1-6.8 ~10901=31, 2.1/10837=29...(56) HB ILE 32 + HD3 LYS 36 OK 56 93 60 100 2.3-8.3 ~10901=31, 2.1/10837=28...(60) HB3 LYS 31 + HD2 LYS 26 OK 39 100 40 97 2.9-17.3 629/2.9=7, 273/2.9=5...(149) HB3 LYS 31 + HD3 LYS 26 OK 38 100 40 95 3.4-17.4 629/2.9=7, 6332/6336=5...(114) HB3 LYS 19 + HD2 LYS 24 OK 32 100 35 92 2.0-16.0 2631=4, 526/3.0=3...(118) HB3 LYS 19 + HD3 LYS 24 OK 30 100 35 87 3.5-15.3 2632=4, 526/3.0=3...(87) HB3 LYS 26 + HD2 LYS 31 OK 29 100 30 98 4.2-14.4 10769/10771=14...(195) HB ILE 32 + HD3 LYS 31 OK 26 100 30 87 4.1-9.2 3.0/10763=10...(56) HB ILE 32 + HD3 LYS 26 OK 26 99 30 86 4.0-17.6 3.0/10763=8, 2.1/10837=8...(46) HB3 ARG 23 + HD2 LYS 26 OK 20 98 35 59 2.9-14.2 ~11618=4, 442/5.7=4...(21) HB2 LYS 36 - HD2 LYS 26 poor 20 100 20 - 5.1-27.9 HB ILE 32 - HD2 LYS 26 poor 20 100 20 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 poor 20 100 20 - 4.5-14.4 HB2 LYS 36 - HD3 LYS 26 poor 20 100 20 - 4.4-27.1 HB3 ARG 23 - HD3 LYS 26 poor 19 97 30 66 2.9-14.6 3.7/11449=13...(15) HB3 LYS 24 - HD3 LYS 19 poor 17 87 20 - 2.0-16.3 HB ILE 32 - HD2 LYS 31 far 15 100 15 - 5.5-9.5 HB3 LYS 24 - HD2 LYS 19 far 13 87 15 - 3.7-15.7 HB3 ARG 23 - HD3 LYS 24 far 10 98 10 - 5.2-9.3 HB3 LYS 24 - HD3 LYS 36 far 9 94 10 - 5.5-25.2 HB2 LYS 36 - HD2 LYS 31 far 5 100 5 - 5.0-15.5 HB3 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.4-17.9 HB3 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-12.3 HB2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.7-27.6 HB3 LYS 26 - HD2 LYS 24 far 5 100 5 - 5.1-12.6 HB3 LYS 24 - HD2 LYS 36 far 5 94 5 - 4.2-24.7 HB3 ARG 23 - HD3 LYS 36 far 4 90 5 - 4.9-23.1 HB3 LYS 31 - HD2 LYS 19 far 4 87 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 4 87 5 - 4.1-28.8 HB3 LEU 98 - HD2 LYS 24 far 3 60 5 - 4.6-36.8 HB3 LEU 98 - HD3 LYS 24 far 3 60 5 - 4.2-35.7 HB3 ARG 23 - HD2 LYS 36 far 0 90 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 98 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 93 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 98 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 98 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 93 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 83 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 100 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 86 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 94 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 86 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 83 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.7-11.2 HB ILE 32 - HD3 LYS 19 far 0 86 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 83 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 86 0 - 8.1-28.1 HB3 LEU 122 - HD2 LYS 24 far 0 83 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 55 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 100 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 80 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 62 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 55 0 - 9.2-37.9 HB2 CYS 79 - HD2 LYS 36 far 0 62 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 538 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 3.96 A): 10 out of 123 assignments used, quality = 1.00: * HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 96 96 100 100 2.3-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.5-3.0 3.0=100 QB ALA 15 - HD3 LYS 31 poor 20 100 20 - 3.8-22.6 QB ALA 12 - HD3 LYS 19 poor 20 66 30 - 2.1-15.8 QB ALA 12 - HD2 LYS 19 poor 20 66 30 - 2.2-15.1 HG2 LYS 19 - HD2 LYS 24 poor 19 92 25 81 3.0-17.8 3.0/2631=2, 276=2...(34) HG2 LYS 24 - HD3 LYS 19 poor 17 87 20 - 2.1-17.8 HG2 LYS 19 - HD3 LYS 24 poor 17 92 25 75 2.7-16.9 3.0/2632=2, 277/1.8=2...(31) QB ALA 29 - HD2 LYS 31 far 15 100 15 - 2.5-9.8 HG3 LYS 26 - HD3 LYS 31 far 15 100 15 - 3.4-15.4 QB ALA 28 - HD2 LYS 24 far 15 100 15 - 4.4-13.3 QB ALA 28 - HD3 LYS 24 far 15 100 15 - 4.8-12.7 HG3 LYS 31 - HD2 LYS 26 far 14 96 15 - 4.8-17.0 HG2 LYS 24 - HD2 LYS 19 far 13 87 15 - 3.2-16.1 QB ALA 15 - HD2 LYS 19 far 13 86 15 - 3.7-12.8 QB ALA 29 - HD3 LYS 31 poor 10 100 30 34 3.0-9.8 ~10782=17, 3.7/7749=5...(8) QB ALA 15 - HD2 LYS 31 far 10 100 10 - 3.6-21.3 QB ALA 29 - HD2 LYS 26 far 10 100 10 - 4.7-11.1 HG3 LYS 26 - HD2 LYS 24 far 10 100 10 - 5.3-11.0 QB ALA 29 - HD3 LYS 26 far 10 100 10 - 4.5-11.4 QB ALA 28 - HD2 LYS 31 poor 10 100 25 39 2.1-10.6 6304/10771=20, ~10771=12...(4) QB ALA 28 - HD3 LYS 31 poor 10 100 25 39 2.9-9.7 6304/10771=17, ~10771=15...(5) HG3 LYS 31 - HD3 LYS 26 far 10 96 10 - 3.0-16.8 HB2 LEU 42 - HD3 LYS 36 far 9 94 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 9 94 10 - 4.0-11.4 HG3 LYS 26 - HD2 LYS 36 far 9 94 10 - 4.8-22.9 HG3 LYS 31 - HD2 LYS 36 far 9 88 10 - 4.8-13.4 QB ALA 15 - HD3 LYS 19 far 9 86 10 - 3.8-12.9 QB ALA 12 - HD3 LYS 24 far 8 83 10 - 4.3-18.1 HG3 LYS 26 - HD2 LYS 31 far 5 100 5 - 3.6-15.7 HG3 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-11.0 QB ALA 15 - HD3 LYS 24 far 5 100 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 5 100 5 - 3.6-30.2 QB ALA 15 - HD2 LYS 24 far 5 100 5 - 4.1-17.3 QB ALA 110 - HD3 LYS 26 far 5 100 5 - 2.4-29.3 QB ALA 29 - HD2 LYS 24 far 5 100 5 - 5.3-13.3 QB ALA 29 - HD3 LYS 24 far 5 100 5 - 5.3-12.6 HG3 LYS 95 - HD2 LYS 24 far 5 99 5 - 3.4-37.4 HG2 LYS 24 - HD3 LYS 26 far 5 100 5 - 5.2-11.4 QB ALA 108 - HD3 LYS 24 far 5 100 5 - 4.5-33.1 QB ALA 28 - HD2 LYS 26 far 5 100 5 - 5.4-9.5 HG2 LYS 36 - HD3 LYS 26 far 5 100 5 - 5.1-24.7 QB ALA 108 - HD2 LYS 24 far 5 100 5 - 5.1-33.9 HG3 LYS 95 - HD3 LYS 24 far 5 99 5 - 3.7-36.4 QB ALA 108 - HD3 LYS 26 far 5 99 5 - 4.8-26.0 HG2 LYS 95 - HD2 LYS 24 far 5 99 5 - 4.4-37.2 HG2 LYS 95 - HD3 LYS 24 far 5 99 5 - 4.1-36.2 QB ALA 109 - HD2 LYS 26 far 5 98 5 - 4.4-27.7 QB ALA 109 - HD3 LYS 26 far 5 97 5 - 5.1-28.1 HG2 LYS 24 - HD2 LYS 36 far 5 94 5 - 5.3-25.5 QB ALA 29 - HD3 LYS 36 far 5 94 5 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 5 94 5 - 5.2-9.9 HG3 LYS 31 - HD3 LYS 36 far 4 88 5 - 4.6-13.4 QB ALA 28 - HD3 LYS 19 far 4 86 5 - 4.6-21.9 HG3 LYS 31 - HD3 LYS 19 far 4 80 5 - 4.1-26.6 HG3 LYS 31 - HD2 LYS 19 far 4 80 5 - 4.6-25.3 QB ALA 16 - HD2 LYS 24 far 4 71 5 - 4.9-17.1 QB ALA 16 - HD2 LYS 31 far 4 71 5 - 5.3-24.0 QB ALA 16 - HD2 LYS 19 far 3 55 5 - 4.8-11.3 QB ALA 16 - HD3 LYS 19 far 3 55 5 - 5.4-11.1 QB ALA 12 - HD2 LYS 24 far 0 83 0 - 5.6-18.4 QB ALA 16 - HD3 LYS 24 far 0 71 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 100 0 - 5.8-11.1 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 96 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 86 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 94 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 97 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 100 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 99 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 71 0 - 6.3-25.2 QB ALA 12 - HD3 LYS 31 far 0 83 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 94 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 83 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 83 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 62 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 86 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 87 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 83 0 - 7.1-42.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 93 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 92 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 62 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 87 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 100 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 19 far 0 86 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 7.8-23.7 QB ALA 109 - HD3 LYS 24 far 0 98 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 100 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 94 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 100 0 - 8.2-26.1 QB ALA 28 - HD3 LYS 36 far 0 93 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 98 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 94 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 92 0 - 8.4-23.4 QB ALA 16 - HD2 LYS 26 far 0 71 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 70 0 - 8.7-20.3 QB ALA 108 - HD3 LYS 19 far 0 86 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 86 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.2-24.1 HG3 LYS 26 - HD2 LYS 19 far 0 87 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 100 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 87 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 73 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 82 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 100 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 73 0 - 9.8-25.2 HB2 LEU 96 - HD3 LYS 24 far 0 100 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 539 from cnoeabs.peaks (1.45, 1.66, 28.90 ppm; 3.52 A): 16 out of 68 assignments used, quality = 1.00: * HG3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-2.9 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 71 71 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 71 71 100 100 2.5-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 31 OK 28 99 40 70 3.3-9.3 10757/5.2=9, 6333/6.2=7...(34) HG13 ILE 32 + HD2 LYS 36 OK 26 92 30 95 4.2-7.8 3.2/10837=17, ~10901=15...(58) HG13 ILE 32 + HD3 LYS 31 OK 24 99 35 69 2.0-10.3 10757/5.2=9, 6333/6.2=7...(34) HG13 ILE 32 + HD3 LYS 26 OK 22 98 35 64 2.0-15.6 ~10704=6, 1.8/10767=6...(33) HG13 ILE 32 + HD3 LYS 36 OK 22 92 25 95 3.6-8.5 3.2/10837=17, ~10901=15...(57) HG13 ILE 32 + HD2 LYS 26 OK 20 99 30 68 2.5-16.4 ~10767=8, ~10704=6...(34) HG3 LYS 19 - HD3 LYS 24 far 15 100 15 - 4.4-17.3 HG3 LYS 19 - HD2 LYS 24 far 10 100 10 - 4.4-17.3 HG2 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.2-17.6 HG2 LYS 26 - HD3 LYS 31 far 9 94 10 - 4.2-16.2 HG3 LYS 24 - HD3 LYS 19 poor 6 87 25 27 2.0-17.8 823/3.9=2, 822/5.2=2...(5) QB ALA 34 - HD3 LYS 36 far 6 57 10 - 4.1-8.0 HG2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.5-18.0 HG3 LYS 24 - HD2 LYS 19 poor 5 87 25 22 2.7-16.7 823/3.9=2, 822/5.2=2...(5) HG2 LYS 26 - HD3 LYS 24 far 5 94 5 - 3.7-12.2 HG2 LYS 26 - HD2 LYS 31 far 5 95 5 - 5.0-16.2 HG3 LYS 36 - HD3 LYS 26 far 4 80 5 - 3.6-25.1 QB ALA 34 - HD2 LYS 26 far 3 65 5 - 4.9-20.3 QB ALA 34 - HD2 LYS 36 far 3 57 5 - 4.7-8.0 HG2 LYS 26 - HD2 LYS 36 far 0 85 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 95 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 80 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 94 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 93 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 81 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 80 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 86 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 86 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 85 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 81 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 100 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 93 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 94 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 84 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 64 0 - 6.2-20.6 HG3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 80 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 84 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.8-25.5 QB ALA 34 - HD2 LYS 24 far 0 65 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 65 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 99 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 99 0 - 7.4-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 65 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 65 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 78 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 78 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 90 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 90 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 64 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 64 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 540 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 90 90 - 100 HD3 LYS 36 + HD3 LYS 36 OK 90 90 - 100 HD3 LYS 19 + HD3 LYS 19 OK 79 79 - 100 HD2 LYS 19 + HD2 LYS 19 OK 79 79 - 100 Peak 541 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 89 89 - 100 HD3 LYS 36 + HD3 LYS 36 OK 89 89 - 100 HD3 LYS 19 + HD3 LYS 19 OK 80 80 - 100 HD2 LYS 19 + HD2 LYS 19 OK 80 80 - 100 Reference assignment not found: HD3 LYS 24 - HD2 LYS 24 Peak 542 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 3.76 A): 20 out of 110 assignments used, quality = 1.00: * HE2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 96 96 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.4-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 83 83 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.4-3.0 2.9=100 HE2 LYS 36 - HD3 LYS 26 poor 20 100 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 20 99 20 - 3.8-24.9 HE2 LYS 24 - HD2 LYS 19 poor 17 87 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 17 87 20 - 2.7-18.2 HE3 LYS 26 - HD2 LYS 36 poor 17 87 20 - 2.5-24.7 HB2 CYS 45 - HD3 LYS 36 poor 17 85 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 17 85 20 - 4.5-10.8 HE3 LYS 36 - HD2 LYS 26 far 15 99 15 - 3.3-25.8 HE3 LYS 19 - HD2 LYS 24 far 15 98 15 - 3.9-18.3 HE3 LYS 19 - HD3 LYS 24 far 15 98 15 - 3.7-17.8 HE2 LYS 26 - HD2 LYS 36 far 13 87 15 - 3.3-25.2 HE3 LYS 24 - HD3 LYS 19 far 13 85 15 - 2.2-19.0 HE2 LYS 36 - HD2 LYS 26 far 10 100 10 - 1.9-25.5 HE2 LYS 19 - HD3 LYS 24 far 10 100 10 - 4.2-18.5 HE2 LYS 31 - HD2 LYS 36 far 9 90 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 90 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 9 87 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 87 10 - 3.6-14.4 HE2 LYS 26 - HD3 LYS 36 far 9 87 10 - 4.7-26.1 HE3 LYS 24 - HD2 LYS 19 far 8 85 10 - 2.9-18.4 HE2 LYS 36 - HD3 LYS 31 far 5 100 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 31 far 5 100 5 - 4.6-13.1 HE2 LYS 24 - HD3 LYS 31 far 5 100 5 - 4.7-18.8 HE2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 5 100 5 - 5.2-19.0 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 31 - HD2 LYS 26 far 5 98 5 - 3.3-15.6 HE2 LYS 31 - HD3 LYS 26 far 5 97 5 - 4.2-14.6 HE3 LYS 26 - HD3 LYS 31 far 5 96 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 96 5 - 4.6-18.1 HE3 LYS 26 - HD2 LYS 31 far 5 96 5 - 5.2-17.8 HE3 LYS 31 - HD2 LYS 26 far 5 96 5 - 4.9-15.3 HE3 LYS 31 - HD3 LYS 26 far 5 95 5 - 4.6-14.9 HE3 LYS 31 - HD3 LYS 36 far 4 87 5 - 4.8-13.8 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 85 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 75 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 100 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 100 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 96 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 94 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 83 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 78 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 83 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 85 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 94 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 94 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 75 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 96 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 100 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 99 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 96 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 94 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 96 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 99 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 95 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 96 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 92 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 94 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 79 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 94 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 98 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 85 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 85 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 78 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 92 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 98 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 73 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 98 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 64 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 95 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 98 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 87 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 79 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 87 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 64 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 97 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 63 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 543 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 3.78 A): 20 out of 106 assignments used, quality = 1.00: * HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.4-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.4-3.0 2.9=100 HE3 LYS 36 - HD3 LYS 26 poor 20 100 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 20 99 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 18 92 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 17 85 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 17 85 20 - 2.7-18.2 HB2 CYS 45 - HD3 LYS 36 poor 15 75 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 15 75 20 - 4.5-10.8 HE3 LYS 36 - HD2 LYS 26 far 15 100 15 - 3.3-25.8 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE2 LYS 26 - HD2 LYS 36 far 14 92 15 - 3.3-25.2 HE3 LYS 24 - HD3 LYS 19 far 13 87 15 - 2.2-19.0 HE2 LYS 36 - HD2 LYS 26 far 10 100 10 - 1.9-25.5 HE2 LYS 19 - HD3 LYS 24 far 10 100 10 - 4.2-18.5 HE3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.6-14.9 HE2 LYS 31 - HD2 LYS 36 far 9 94 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 94 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 9 92 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 92 10 - 3.6-14.4 HE2 LYS 26 - HD3 LYS 36 far 9 92 10 - 4.7-26.1 HE3 LYS 24 - HD2 LYS 19 far 9 87 10 - 2.9-18.4 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE3 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 31 far 5 100 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 31 far 5 100 5 - 4.6-13.1 HE2 LYS 19 - HD2 LYS 24 far 5 100 5 - 5.2-19.0 HE2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.2-24.7 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE3 LYS 26 - HD3 LYS 31 far 5 99 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 99 5 - 4.6-18.1 HE2 LYS 24 - HD3 LYS 31 far 5 99 5 - 4.7-18.8 HE3 LYS 31 - HD2 LYS 26 far 5 99 5 - 4.9-15.3 HE3 LYS 26 - HD2 LYS 31 far 5 99 5 - 5.2-17.8 HE3 LYS 31 - HD3 LYS 36 far 5 92 5 - 4.8-13.8 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 94 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 62 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 100 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 99 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 99 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 92 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 86 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 63 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 86 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 95 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 84 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 85 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 62 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 99 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 99 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 92 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 100 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 85 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 85 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 94 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 85 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 100 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 85 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 87 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 87 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 63 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 94 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 85 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 85 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 86 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 86 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 85 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 544 from cnoeabs.peaks (8.10, 1.66, 28.90 ppm; 4.65 A): 4 out of 23 assignments used, quality = 1.00: * H THR 25 + HD2 LYS 24 OK 100 100 100 100 2.2-5.7 6233/3.5=67, 6232/3.5=66...(50) H THR 25 + HD3 LYS 24 OK 95 100 95 100 1.9-6.7 6233/3.5=67, 6232/3.5=66...(50) H THR 25 + HD2 LYS 26 OK 48 100 50 95 4.6-9.4 6245/5.7=46, 522/2.9=26...(39) H THR 25 + HD3 LYS 26 OK 29 100 30 95 5.6-8.4 6245/5.7=46, 522/2.9=26...(42) H THR 25 - HD3 LYS 19 poor 17 87 20 - 4.0-18.2 H THR 25 - HD2 LYS 31 far 10 100 10 - 5.3-14.3 H THR 25 - HD3 LYS 31 far 10 100 10 - 5.9-15.7 H THR 25 - HD2 LYS 19 far 9 87 10 - 4.6-16.4 H THR 25 - HD2 LYS 36 far 5 94 5 - 5.4-22.7 H ALA 109 - HD2 LYS 26 far 4 83 5 - 4.8-32.0 H ALA 109 - HD3 LYS 26 far 4 82 5 - 5.9-31.0 H ALA 108 - HD2 LYS 26 far 4 78 5 - 5.7-31.5 H THR 25 - HD3 LYS 36 far 0 94 0 - 6.9-23.4 H LEU 103 - HD3 LYS 26 far 0 80 0 - 7.2-27.5 H ASN 121 - HD3 LYS 24 far 0 87 0 - 7.2-34.4 H ALA 108 - HD3 LYS 26 far 0 77 0 - 7.4-30.5 H LEU 103 - HD2 LYS 26 far 0 80 0 - 8.6-26.8 H ASN 120 - HD3 LYS 24 far 0 68 0 - 8.7-34.2 H ASN 121 - HD2 LYS 24 far 0 87 0 - 8.8-35.2 H ALA 108 - HD3 LYS 24 far 0 78 0 - 8.8-39.5 H ALA 109 - HD3 LYS 24 far 0 83 0 - 8.9-40.4 H ALA 108 - HD2 LYS 24 far 0 78 0 - 9.6-40.6 H ALA 108 - HD2 LYS 31 far 0 78 0 - 9.9-29.7 Violated in 0 structures by 0.00 A. Peak 545 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 19 out of 66 assignments used, quality = 1.00: * H LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-5.9 5.9=100 H LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-5.7 5.7=100 H LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-5.6 5.9=100 H LYS 26 + HD3 LYS 26 OK 100 100 100 100 3.5-5.4 5.7=100 H GLN 27 + HD2 LYS 26 OK 85 85 100 100 2.0-6.3 6262/3.5=77, 6263/3.5=76...(23) H GLN 27 + HD3 LYS 26 OK 84 84 100 100 3.5-5.7 6262/3.5=77, 6263/3.5=76...(22) H ASP 35 + HD2 LYS 36 OK 76 77 100 100 2.4-7.7 6387/6.1=74...(14) H ASP 35 + HD3 LYS 36 OK 76 77 100 99 3.1-7.2 6387/6.1=74...(13) H LYS 19 + HD2 LYS 19 OK 68 68 100 100 1.9-5.3 6.2=100 H LYS 19 + HD3 LYS 19 OK 68 68 100 100 3.3-5.1 6.2=100 H LYS 26 + HD3 LYS 31 OK 63 100 65 96 5.2-13.7 6295/10771=11, ~790=7...(96) H LYS 26 + HD3 LYS 24 OK 59 100 80 73 3.0-10.1 6245/555=34...(8) H LYS 26 + HD2 LYS 31 OK 58 100 60 96 5.1-14.0 6295/10771=14, ~790=7...(91) H LYS 26 + HD2 LYS 24 OK 46 100 65 71 3.6-10.0 6245/544=36...(8) H LYS 19 + HD2 LYS 24 OK 35 83 45 94 5.4-15.5 ~822=6, 523/3.0=5...(88) H LYS 19 + HD3 LYS 24 OK 35 83 45 93 3.9-15.4 ~822=6, 523/3.0=5...(86) H LYS 24 + HD2 LYS 26 OK 25 100 70 35 4.6-11.7 6228/6237=20...(8) H GLN 27 + HD2 LYS 31 OK 22 85 50 53 5.5-12.0 4.6/10771=41, 6266=4...(7) H GLN 27 + HD3 LYS 31 OK 20 85 50 48 4.9-12.0 4.6/10771=35, 6266/1.8=4...(7) H LYS 24 - HD2 LYS 31 poor 20 100 20 - 5.7-17.0 H LYS 24 - HD3 LYS 26 poor 19 100 60 32 5.8-10.7 6228/6237=14...(9) H LYS 24 - HD3 LYS 31 far 15 100 15 - 6.9-18.4 H LYS 26 - HD2 LYS 36 far 14 92 15 - 6.3-21.8 H LYS 26 - HD3 LYS 36 far 14 92 15 - 7.4-22.6 H LYS 19 - HD2 LYS 31 far 12 83 15 - 5.6-22.1 H GLN 27 - HD2 LYS 36 far 11 73 15 - 7.6-19.6 H GLY 14 - HD2 LYS 24 far 10 100 10 - 7.0-23.3 H GLY 14 - HD3 LYS 24 far 10 100 10 - 7.6-22.9 H THR 65 - HD3 LYS 31 far 10 97 10 - 5.0-20.3 H THR 65 - HD2 LYS 31 far 10 96 10 - 4.7-21.2 H THR 65 - HD2 LYS 24 far 10 96 10 - 7.9-25.1 H THR 65 - HD3 LYS 26 far 10 96 10 - 7.3-23.6 H LYS 26 - HD3 LYS 19 far 9 89 10 - 5.0-22.4 H ASP 35 - HD3 LYS 24 far 9 89 10 - 5.7-27.1 H ASP 35 - HD2 LYS 24 far 9 89 10 - 6.2-25.7 H ASP 35 - HD2 LYS 31 far 9 89 10 - 7.3-13.8 H THR 65 - HD2 LYS 36 far 9 86 10 - 7.2-16.7 H LYS 19 - HD3 LYS 31 far 8 83 10 - 6.3-22.9 H GLN 27 - HD3 LYS 19 far 7 70 10 - 7.6-23.8 H GLN 27 - HD2 LYS 19 far 7 70 10 - 7.9-22.1 H GLN 27 - HD2 LYS 24 lone 6 85 45 17 3.3-12.1 4.6/6255=7...(4) H GLY 14 - HD3 LYS 31 far 5 100 5 - 7.7-24.5 H HIS 3 - HD3 LYS 31 far 5 97 5 - 7.2-51.0 H LYS 24 - HD2 LYS 19 lone 5 90 35 15 5.3-14.1 424/5.2=6, 6223/828=2...(5) H HIS 3 - HD2 LYS 31 far 5 97 5 - 7.8-51.2 H THR 65 - HD2 LYS 26 far 5 97 5 - 6.2-24.3 H THR 65 - HD3 LYS 24 far 5 97 5 - 6.6-24.1 H ASP 35 - HD3 LYS 26 lone 5 88 45 12 4.8-23.5 11784/10812=5...(3) H LYS 24 - HD2 LYS 36 far 5 92 5 - 5.7-24.8 H LYS 24 - HD3 LYS 36 far 5 92 5 - 7.3-25.4 H ASP 35 - HD2 LYS 26 lone 5 89 40 13 4.4-23.7 11784/10837=5...(4) H LYS 26 - HD2 LYS 19 far 4 89 5 - 5.4-20.7 H ASP 35 - HD3 LYS 31 far 4 89 5 - 8.1-13.1 H THR 65 - HD3 LYS 36 far 4 86 5 - 8.1-16.3 H LYS 19 - HD2 LYS 26 far 4 83 5 - 7.1-20.9 H LYS 19 - HD3 LYS 26 far 4 82 5 - 6.6-21.2 H GLN 27 - HD3 LYS 24 lone 4 85 25 18 1.8-12.6 10758/10696=7...(4) H GLN 27 - HD3 LYS 36 far 4 73 5 - 6.2-20.4 H LYS 19 - HD3 LYS 36 far 4 71 5 - 7.2-31.2 H LYS 19 - HD2 LYS 36 far 4 71 5 - 7.9-30.4 H LYS 24 - HD3 LYS 19 lone 3 90 25 14 4.0-15.8 424/5.2=6, 6223/828=2...(4) H GLY 14 - HD2 LYS 19 lone 2 89 50 5 2.6-18.0 10659/3.0=1 H GLY 14 - HD3 LYS 19 lone 2 89 40 5 4.3-18.2 10659/3.0=1 H THR 65 - HD3 LYS 19 far 0 83 0 - 8.9-31.2 H GLY 14 - HD2 LYS 31 far 0 100 0 - 9.2-24.0 H HIS 3 - HD2 LYS 26 far 0 97 0 - 9.6-54.3 Violated in 0 structures by 0.00 A. Peak 546 from cnoeabs.peaks (4.33, 1.66, 28.90 ppm; 3.86 A): 2 out of 38 assignments used, quality = 1.00: * HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-5.0 483/3.0=73, 482/3.5=67...(33) HA LYS 24 + HD2 LYS 24 OK 95 100 95 100 2.5-5.5 483/3.0=73, 482/3.5=67...(32) HA LEU 69 - HD2 LYS 36 far 14 91 15 - 4.0-9.1 HA LYS 24 - HD2 LYS 31 far 10 100 10 - 3.4-16.8 HA LYS 24 - HD2 LYS 26 far 10 100 10 - 4.2-10.7 HA LYS 24 - HD3 LYS 19 far 9 90 10 - 4.4-16.0 HA LYS 24 - HD3 LYS 31 far 5 100 5 - 4.9-18.1 HA LYS 24 - HD2 LYS 36 far 5 92 5 - 3.2-22.6 HA LYS 24 - HD3 LYS 36 far 5 92 5 - 4.9-23.1 HA LEU 69 - HD3 LYS 36 far 5 91 5 - 3.7-10.4 HA LYS 24 - HD3 LYS 26 far 0 100 0 - 5.5-10.1 HA ASP 47 - HD2 LYS 26 far 0 99 0 - 5.8-27.9 HA2 GLY 75 - HD3 LYS 31 far 0 89 0 - 6.1-22.6 HA ASP 47 - HD3 LYS 26 far 0 98 0 - 6.1-27.8 HA LYS 24 - HD2 LYS 19 far 0 90 0 - 6.1-15.5 HA ASP 47 - HD2 LYS 19 far 0 86 0 - 6.6-39.9 HA LEU 69 - HD2 LYS 31 far 0 100 0 - 6.8-16.3 HA2 GLY 75 - HD2 LYS 36 far 0 77 0 - 6.8-16.7 HA TYR 76 - HD3 LYS 36 far 0 64 0 - 7.0-17.1 HA TYR 76 - HD2 LYS 36 far 0 64 0 - 7.1-17.2 HA2 GLY 75 - HD3 LYS 36 far 0 77 0 - 7.3-17.0 HA ASN 59 - HD3 LYS 26 far 0 100 0 - 7.7-23.3 HA2 GLY 75 - HD2 LYS 31 far 0 89 0 - 7.7-22.5 HA2 GLY 75 - HD3 LYS 26 far 0 88 0 - 7.9-26.4 HA ASP 47 - HD3 LYS 19 far 0 86 0 - 8.1-41.4 HA LEU 69 - HD3 LYS 31 far 0 100 0 - 8.3-16.6 HA ASP 47 - HD2 LYS 24 far 0 99 0 - 8.6-31.6 HA2 GLY 75 - HD2 LYS 26 far 0 89 0 - 8.8-26.1 HA LEU 69 - HD3 LYS 26 far 0 100 0 - 9.0-21.9 HA ASN 59 - HD2 LYS 26 far 0 100 0 - 9.1-23.9 HA ASP 47 - HD3 LYS 24 far 0 99 0 - 9.3-30.3 HA PRO 81 - HD3 LYS 19 far 0 89 0 - 9.4-46.4 HA ASN 59 - HD2 LYS 19 far 0 89 0 - 9.4-38.8 HA ASP 47 - HD3 LYS 36 far 0 89 0 - 9.4-18.3 HA GLN 134 - HD3 LYS 24 far 0 87 0 - 9.6-34.6 HA LEU 69 - HD2 LYS 26 far 0 100 0 - 9.8-22.4 HA LEU 69 - HD3 LYS 24 far 0 100 0 - 9.9-24.3 HA ASP 47 - HD2 LYS 36 far 0 89 0 - 9.9-18.5 Violated in 2 structures by 0.03 A. Peak 547 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 4.35 A): 13 out of 64 assignments used, quality = 1.00: * HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 43 100 45 97 2.4-15.6 639/2.9=7, 628/2.9=7...(117) HB2 LYS 31 + HD2 LYS 26 OK 39 100 40 98 3.3-16.0 639/2.9=7, 628/2.9=7...(145) HB2 LYS 26 + HD2 LYS 31 OK 29 100 30 98 4.5-13.8 10770/10771=15...(175) HB2 LYS 26 + HD3 LYS 31 OK 25 100 25 99 4.1-13.7 10770/10771=13...(196) HB2 LYS 19 + HD3 LYS 24 OK 23 100 25 94 4.7-15.4 823/3.0=4, 1.8/2632=3...(135) HB2 ARG 23 - HD2 LYS 26 poor 20 99 20 - 2.0-13.7 HB2 ARG 23 - HD3 LYS 26 poor 17 98 25 71 3.3-13.9 3.7/11449=14...(22) HB2 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.7-16.1 HB2 LYS 24 - HD2 LYS 19 poor 12 90 30 45 4.1-16.1 790/5.2=1, 514/3.0=1...(4) HB2 LYS 24 - HD3 LYS 19 poor 11 90 25 48 2.7-16.8 790/5.2=1, 514/3.0=1...(5) HB2 ARG 23 - HD3 LYS 24 far 10 99 10 - 4.5-9.5 HB2 LYS 26 - HD3 LYS 24 far 5 100 5 - 2.0-12.6 HB2 LYS 26 - HD2 LYS 24 far 5 100 5 - 3.6-12.6 HB2 LYS 24 - HD2 LYS 31 far 5 100 5 - 4.7-17.2 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-23.5 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.1-23.0 HB2 LYS 19 - HD3 LYS 26 far 5 100 5 - 5.6-21.9 HB2 ARG 23 - HD2 LYS 31 far 5 99 5 - 5.5-17.1 HB2 ARG 23 - HD2 LYS 24 far 5 99 5 - 5.8-9.7 HB2 LYS 24 - HD2 LYS 36 far 5 92 5 - 3.0-25.5 HB2 LYS 24 - HD3 LYS 36 far 5 92 5 - 4.2-25.9 HB2 LYS 26 - HD2 LYS 36 far 5 91 5 - 5.6-20.8 HB2 LYS 31 - HD2 LYS 36 far 5 91 5 - 5.5-12.6 HB2 LYS 31 - HD2 LYS 19 far 4 89 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 4 89 5 - 5.5-29.5 HB2 ARG 23 - HD3 LYS 36 far 4 89 5 - 5.5-23.2 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.9-18.6 HB2 ARG 23 - HD2 LYS 36 far 0 89 0 - 6.0-22.4 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.1-12.1 HB2 LYS 26 - HD3 LYS 36 far 0 91 0 - 6.1-21.8 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.2-19.4 HB2 ARG 23 - HD3 LYS 31 far 0 99 0 - 6.2-18.0 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.2-21.7 HB2 ARG 23 - HD2 LYS 19 far 0 86 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 91 0 - 6.5-12.1 HB2 LYS 26 - HD3 LYS 19 far 0 89 0 - 6.6-24.6 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.7-18.3 HB2 LEU 43 - HD3 LYS 36 far 0 71 0 - 7.0-17.8 HB2 LYS 26 - HD2 LYS 19 far 0 89 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 82 0 - 7.5-15.4 HB2 LEU 43 - HD3 LYS 24 far 0 83 0 - 7.6-30.2 HB2 LEU 43 - HD2 LYS 36 far 0 71 0 - 7.7-16.6 HB2 ARG 23 - HD3 LYS 19 far 0 86 0 - 8.0-15.0 HB2 LEU 43 - HD2 LYS 24 far 0 83 0 - 8.4-31.6 HB2 LYS 39 - HD3 LYS 24 far 0 93 0 - 8.5-31.4 HB2 LEU 43 - HD2 LYS 31 far 0 83 0 - 8.6-24.3 HB2 LYS 39 - HD2 LYS 36 far 0 82 0 - 8.9-14.2 HB2 LYS 19 - HD3 LYS 36 far 0 91 0 - 9.2-30.9 HB2 LEU 43 - HD3 LYS 31 far 0 83 0 - 9.5-22.7 HG LEU 100 - HD2 LYS 31 far 0 57 0 - 9.6-21.5 HB2 LEU 43 - HD3 LYS 26 far 0 82 0 - 9.7-30.1 HB2 LYS 39 - HD2 LYS 19 far 0 79 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 57 0 - 9.9-21.8 HB2 LEU 43 - HD2 LYS 26 far 0 83 0 - 9.9-30.2 HB2 LYS 39 - HD2 LYS 24 far 0 93 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 548 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.23 A): 20 out of 75 assignments used, quality = 1.00: * HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-4.1 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 91 91 100 100 2.0-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.1-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.1-3.7 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.2-3.7 3.9=100 HB ILE 32 + HD2 LYS 36 OK 68 91 75 100 2.1-6.8 ~10901=31, 2.1/10837=29...(56) HB ILE 32 + HD3 LYS 36 OK 54 91 60 100 2.3-8.3 ~10901=31, 2.1/10837=27...(60) HB3 LYS 31 + HD2 LYS 26 OK 39 100 40 97 2.9-17.3 629/2.9=7, 273/2.9=5...(149) HB3 LYS 31 + HD3 LYS 26 OK 38 100 40 96 3.4-17.4 629/2.9=7, 6332/6336=5...(114) HB3 LYS 19 + HD2 LYS 24 OK 32 100 35 92 2.0-16.0 2631=4, 526/3.0=3...(118) HB3 LYS 19 + HD3 LYS 24 OK 30 100 35 87 3.5-15.3 2632=4, 526/3.0=3...(87) HB3 LYS 26 + HD2 LYS 31 OK 29 100 30 98 4.2-14.4 10769/10771=14...(195) HB ILE 32 + HD3 LYS 31 OK 26 100 30 87 4.1-9.2 3.0/10763=10...(56) HB ILE 32 + HD3 LYS 26 OK 26 100 30 86 4.0-17.6 3.0/10763=8, 2.1/10837=8...(46) HB3 ARG 23 + HD2 LYS 26 OK 21 98 35 60 2.9-14.2 ~11618=4, 442/5.7=4...(21) HB2 LYS 36 - HD2 LYS 26 poor 20 100 20 - 5.1-27.9 HB ILE 32 - HD2 LYS 26 poor 20 100 20 - 4.1-18.3 HB2 LYS 36 - HD3 LYS 26 poor 20 100 20 - 4.4-27.1 HB3 LYS 26 - HD3 LYS 31 poor 20 100 20 - 4.5-14.4 HB3 ARG 23 - HD3 LYS 26 poor 20 98 30 66 2.9-14.6 3.7/11449=13...(15) HB3 LYS 24 - HD3 LYS 19 poor 18 90 20 - 2.0-16.3 HB ILE 32 - HD2 LYS 31 far 15 100 15 - 5.5-9.5 HB3 LYS 24 - HD2 LYS 19 far 13 90 15 - 3.7-15.7 HB3 ARG 23 - HD3 LYS 24 far 10 98 10 - 5.2-9.3 HB3 LYS 24 - HD3 LYS 36 far 9 92 10 - 5.5-25.2 HB3 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-12.3 HB3 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.4-17.9 HB2 LYS 36 - HD2 LYS 31 far 5 100 5 - 5.0-15.5 HB2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.7-27.6 HB3 LYS 26 - HD2 LYS 24 far 5 100 5 - 5.1-12.6 HB3 LYS 24 - HD2 LYS 36 far 5 92 5 - 4.2-24.7 HB3 LYS 31 - HD2 LYS 19 far 4 89 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 4 89 5 - 4.1-28.8 HB3 ARG 23 - HD3 LYS 36 far 4 88 5 - 4.9-23.1 HB3 LEU 98 - HD3 LYS 24 far 3 60 5 - 4.2-35.7 HB3 LEU 98 - HD2 LYS 24 far 3 60 5 - 4.6-36.8 HB3 ARG 23 - HD2 LYS 36 far 0 88 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 98 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 91 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 98 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 98 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 91 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 92 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 85 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 100 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 88 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 88 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 83 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.7-11.2 HB ILE 32 - HD3 LYS 19 far 0 89 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 85 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 89 0 - 8.1-28.1 HB3 LEU 122 - HD2 LYS 24 far 0 83 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 57 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 100 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 80 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 60 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 57 0 - 9.2-37.9 HB2 CYS 79 - HD2 LYS 36 far 0 60 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 549 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 3.96 A): 10 out of 123 assignments used, quality = 1.00: * HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 97 97 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 96 96 100 100 2.2-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 78 78 100 100 2.5-3.0 3.0=100 QB ALA 15 - HD3 LYS 31 poor 20 100 20 - 3.8-22.6 HG2 LYS 19 - HD2 LYS 24 poor 19 92 25 81 3.0-17.8 3.0/2631=2, 276=2...(34) HG2 LYS 24 - HD3 LYS 19 poor 18 90 20 - 2.1-17.8 HG2 LYS 19 - HD3 LYS 24 poor 17 92 25 75 2.7-16.9 3.0/2632=2, 277/1.8=2...(31) QB ALA 29 - HD2 LYS 31 far 15 100 15 - 2.5-9.8 HG3 LYS 26 - HD3 LYS 31 far 15 100 15 - 3.4-15.4 QB ALA 28 - HD3 LYS 24 far 15 100 15 - 4.8-12.7 QB ALA 28 - HD2 LYS 24 far 15 100 15 - 4.4-13.3 HG3 LYS 31 - HD2 LYS 26 far 14 97 15 - 4.8-17.0 HG2 LYS 24 - HD2 LYS 19 far 13 90 15 - 3.2-16.1 QB ALA 15 - HD2 LYS 19 far 13 89 15 - 3.7-12.8 QB ALA 29 - HD3 LYS 31 poor 10 100 30 34 3.0-9.8 ~10782=17, 3.7/7749=5...(8) QB ALA 29 - HD2 LYS 26 far 10 100 10 - 4.7-11.1 QB ALA 15 - HD2 LYS 31 far 10 100 10 - 3.6-21.3 QB ALA 29 - HD3 LYS 26 far 10 100 10 - 4.5-11.4 HG3 LYS 26 - HD2 LYS 24 far 10 100 10 - 5.3-11.0 QB ALA 28 - HD2 LYS 31 poor 10 100 25 39 2.1-10.6 6304/10771=20, ~10771=12...(4) QB ALA 28 - HD3 LYS 31 poor 10 100 25 39 2.9-9.7 6304/10771=17, ~10771=15...(5) HG3 LYS 31 - HD3 LYS 26 far 10 96 10 - 3.0-16.8 HB2 LEU 42 - HD3 LYS 36 far 9 92 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 9 92 10 - 4.0-11.4 HG3 LYS 26 - HD2 LYS 36 far 9 92 10 - 4.8-22.9 QB ALA 15 - HD3 LYS 19 far 9 89 10 - 3.8-12.9 HG3 LYS 31 - HD2 LYS 36 far 9 86 10 - 4.8-13.4 QB ALA 12 - HD3 LYS 24 far 8 83 10 - 4.3-18.1 QB ALA 110 - HD3 LYS 26 far 5 100 5 - 2.4-29.3 HG3 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-11.0 HG3 LYS 26 - HD2 LYS 31 far 5 100 5 - 3.6-15.7 QB ALA 15 - HD3 LYS 24 far 5 100 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 5 100 5 - 3.6-30.2 QB ALA 15 - HD2 LYS 24 far 5 100 5 - 4.1-17.3 QB ALA 29 - HD3 LYS 24 far 5 100 5 - 5.3-12.6 QB ALA 29 - HD2 LYS 24 far 5 100 5 - 5.3-13.3 HG2 LYS 24 - HD3 LYS 26 far 5 100 5 - 5.2-11.4 HG2 LYS 36 - HD3 LYS 26 far 5 100 5 - 5.1-24.7 QB ALA 108 - HD3 LYS 24 far 5 100 5 - 4.5-33.1 QB ALA 28 - HD2 LYS 26 far 5 100 5 - 5.4-9.5 HG3 LYS 95 - HD2 LYS 24 far 5 99 5 - 3.4-37.4 HG3 LYS 95 - HD3 LYS 24 far 5 99 5 - 3.7-36.4 QB ALA 108 - HD2 LYS 24 far 5 100 5 - 5.1-33.9 QB ALA 108 - HD3 LYS 26 far 5 99 5 - 4.8-26.0 HG2 LYS 95 - HD3 LYS 24 far 5 99 5 - 4.1-36.2 HG2 LYS 95 - HD2 LYS 24 far 5 99 5 - 4.4-37.2 QB ALA 109 - HD2 LYS 26 far 5 98 5 - 4.4-27.7 QB ALA 109 - HD3 LYS 26 far 5 98 5 - 5.1-28.1 HG2 LYS 24 - HD2 LYS 36 far 5 92 5 - 5.3-25.5 QB ALA 29 - HD3 LYS 36 far 5 92 5 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 5 92 5 - 5.2-9.9 QB ALA 28 - HD3 LYS 19 far 4 89 5 - 4.6-21.9 HG3 LYS 31 - HD3 LYS 36 far 4 86 5 - 4.6-13.4 HG3 LYS 31 - HD3 LYS 19 far 4 83 5 - 4.1-26.6 HG3 LYS 31 - HD2 LYS 19 far 4 83 5 - 4.6-25.3 QB ALA 16 - HD2 LYS 24 far 4 71 5 - 4.9-17.1 QB ALA 16 - HD2 LYS 31 far 4 71 5 - 5.3-24.0 QB ALA 16 - HD2 LYS 19 far 3 57 5 - 4.8-11.3 QB ALA 16 - HD3 LYS 19 far 3 57 5 - 5.4-11.1 QB ALA 12 - HD3 LYS 19 lone 0 68 30 1 2.1-15.8 QB ALA 12 - HD2 LYS 19 lone 0 68 30 1 2.2-15.1 QB ALA 12 - HD2 LYS 24 far 0 83 0 - 5.6-18.4 QB ALA 16 - HD3 LYS 24 far 0 71 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 100 0 - 5.8-11.1 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 97 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 89 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 92 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 96 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 100 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 100 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 71 0 - 6.3-25.2 QB ALA 12 - HD3 LYS 31 far 0 83 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 92 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 85 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 83 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 60 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 89 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 89 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 85 0 - 7.1-42.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 91 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 92 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 60 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 89 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 100 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 19 far 0 89 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 7.8-23.7 QB ALA 109 - HD3 LYS 24 far 0 98 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 100 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 91 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 100 0 - 8.2-26.1 QB ALA 28 - HD3 LYS 36 far 0 91 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 98 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 91 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 92 0 - 8.4-23.4 QB ALA 16 - HD2 LYS 26 far 0 71 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 70 0 - 8.7-20.3 QB ALA 108 - HD3 LYS 19 far 0 88 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 88 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.2-24.1 HG3 LYS 26 - HD2 LYS 19 far 0 89 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 100 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 89 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 71 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 80 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 100 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 71 0 - 9.8-25.2 HB2 LEU 96 - HD3 LYS 24 far 0 100 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 550 from cnoeabs.peaks (1.45, 1.66, 28.90 ppm; 3.52 A): 16 out of 68 assignments used, quality = 1.00: * HG3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-2.9 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 69 69 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 69 69 100 100 2.5-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 31 OK 28 99 40 70 3.3-9.3 10757/5.2=9, 6333/6.2=7...(34) HG13 ILE 32 + HD2 LYS 36 OK 25 89 30 94 4.2-7.8 3.2/10837=17, ~10901=15...(58) HG13 ILE 32 + HD3 LYS 31 OK 24 99 35 69 2.0-10.3 10757/5.2=9, 6333/6.2=7...(34) HG13 ILE 32 + HD3 LYS 26 OK 22 99 35 64 2.0-15.6 ~10704=6, 1.8/10767=5...(33) HG13 ILE 32 + HD3 LYS 36 OK 21 89 25 94 3.6-8.5 3.2/10837=16, ~10901=15...(57) HG13 ILE 32 + HD2 LYS 26 OK 20 99 30 68 2.5-16.4 ~10767=8, ~10704=6...(34) HG3 LYS 19 - HD3 LYS 24 far 15 100 15 - 4.4-17.3 HG3 LYS 19 - HD2 LYS 24 far 10 100 10 - 4.4-17.3 HG2 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.2-17.6 HG2 LYS 26 - HD3 LYS 31 far 9 95 10 - 4.2-16.2 HG3 LYS 24 - HD3 LYS 19 poor 6 90 25 27 2.0-17.8 823/3.9=2, 822/5.2=2...(5) QB ALA 34 - HD3 LYS 36 far 5 55 10 - 4.1-8.0 HG3 LYS 24 - HD2 LYS 19 poor 5 90 25 22 2.7-16.7 823/3.9=2, 822/5.2=2...(5) HG2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.5-18.0 HG2 LYS 26 - HD3 LYS 24 far 5 95 5 - 3.7-12.2 HG2 LYS 26 - HD2 LYS 31 far 5 94 5 - 5.0-16.2 HG3 LYS 36 - HD3 LYS 26 far 4 80 5 - 3.6-25.1 QB ALA 34 - HD2 LYS 26 far 3 65 5 - 4.9-20.3 QB ALA 34 - HD2 LYS 36 far 3 55 5 - 4.7-8.0 HG2 LYS 26 - HD2 LYS 36 far 0 83 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 94 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 81 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 92 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 91 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 80 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 81 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 89 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 89 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 83 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 80 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 100 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 91 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 92 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 87 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 65 0 - 6.2-20.6 HG3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 81 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 87 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.8-25.5 QB ALA 34 - HD2 LYS 24 far 0 65 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 65 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 99 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 99 0 - 7.4-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 65 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 65 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 81 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 81 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 90 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 90 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 66 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 66 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 551 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 88 88 - 100 HD3 LYS 36 + HD3 LYS 36 OK 88 88 - 100 HD3 LYS 19 + HD3 LYS 19 OK 82 82 - 100 HD2 LYS 19 + HD2 LYS 19 OK 82 82 - 100 Reference assignment not found: HD2 LYS 24 - HD3 LYS 24 Peak 552 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 87 87 - 100 HD3 LYS 36 + HD3 LYS 36 OK 87 87 - 100 HD3 LYS 19 + HD3 LYS 19 OK 83 83 - 100 HD2 LYS 19 + HD2 LYS 19 OK 83 83 - 100 Peak 553 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 3.76 A): 20 out of 110 assignments used, quality = 1.00: * HE2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 96 96 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.4-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.4-3.0 2.9=100 HE2 LYS 36 - HD3 LYS 26 poor 20 100 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 20 99 20 - 3.8-24.9 HE2 LYS 24 - HD2 LYS 19 poor 18 90 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 18 90 20 - 2.7-18.2 HE3 LYS 26 - HD2 LYS 36 poor 17 84 20 - 2.5-24.7 HB2 CYS 45 - HD3 LYS 36 poor 17 83 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 17 83 20 - 4.5-10.8 HE3 LYS 36 - HD2 LYS 26 far 15 99 15 - 3.3-25.8 HE3 LYS 19 - HD3 LYS 24 far 15 98 15 - 3.7-17.8 HE3 LYS 19 - HD2 LYS 24 far 15 98 15 - 3.9-18.3 HE3 LYS 24 - HD3 LYS 19 far 13 88 15 - 2.2-19.0 HE2 LYS 26 - HD2 LYS 36 far 13 84 15 - 3.3-25.2 HE2 LYS 36 - HD2 LYS 26 far 10 100 10 - 1.9-25.5 HE2 LYS 19 - HD3 LYS 24 far 10 100 10 - 4.2-18.5 HE2 LYS 31 - HD2 LYS 36 far 9 88 10 - 3.1-14.2 HE3 LYS 24 - HD2 LYS 19 far 9 88 10 - 2.9-18.4 HE2 LYS 31 - HD3 LYS 36 far 9 88 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 8 84 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 8 84 10 - 3.6-14.4 HE2 LYS 26 - HD3 LYS 36 far 8 84 10 - 4.7-26.1 HE2 LYS 36 - HD3 LYS 31 far 5 100 5 - 4.3-12.0 HE2 LYS 24 - HD3 LYS 31 far 5 100 5 - 4.7-18.8 HE2 LYS 36 - HD2 LYS 31 far 5 100 5 - 4.6-13.1 HE2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 5 100 5 - 5.2-19.0 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 31 - HD2 LYS 26 far 5 98 5 - 3.3-15.6 HE2 LYS 31 - HD3 LYS 26 far 5 98 5 - 4.2-14.6 HE3 LYS 26 - HD3 LYS 31 far 5 96 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 96 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 5 96 5 - 4.9-15.3 HE3 LYS 26 - HD2 LYS 31 far 5 96 5 - 5.2-17.8 HE3 LYS 31 - HD3 LYS 26 far 5 95 5 - 4.6-14.9 HE3 LYS 31 - HD3 LYS 36 far 4 84 5 - 4.8-13.8 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 85 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 73 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 100 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 100 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 96 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 92 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 85 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 78 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 85 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 85 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 94 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 95 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 73 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 96 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 100 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 99 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 96 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 92 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 96 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 99 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 94 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 82 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 96 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 90 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 95 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 95 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 98 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 88 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 88 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 78 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 90 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 98 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 73 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 98 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 62 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 94 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 98 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 89 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 82 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 89 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 62 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 98 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 63 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 554 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 3.78 A): 20 out of 106 assignments used, quality = 1.00: * HE3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.4-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.4-3.0 2.9=100 HE3 LYS 36 - HD3 LYS 26 poor 20 100 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 20 100 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 18 90 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 18 88 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 18 88 20 - 2.7-18.2 HE3 LYS 36 - HD2 LYS 26 far 15 100 15 - 3.3-25.8 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE2 LYS 19 - HD3 LYS 24 far 15 100 15 - 4.2-18.5 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HB2 CYS 45 - HD3 LYS 36 poor 15 73 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 15 73 20 - 4.5-10.8 HE2 LYS 26 - HD2 LYS 36 far 14 90 15 - 3.3-25.2 HE3 LYS 24 - HD3 LYS 19 far 13 90 15 - 2.2-19.0 HE2 LYS 36 - HD2 LYS 26 far 10 100 10 - 1.9-25.5 HE3 LYS 31 - HD3 LYS 26 far 10 99 10 - 4.6-14.9 HE2 LYS 31 - HD2 LYS 36 far 9 91 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 91 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 9 90 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 90 10 - 3.6-14.4 HE2 LYS 26 - HD3 LYS 36 far 9 90 10 - 4.7-26.1 HE3 LYS 24 - HD2 LYS 19 far 9 90 10 - 2.9-18.4 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE3 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 31 far 5 100 5 - 4.3-12.0 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE2 LYS 36 - HD2 LYS 31 far 5 100 5 - 4.6-13.1 HE2 LYS 19 - HD2 LYS 24 far 5 100 5 - 5.2-19.0 HE2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.2-24.7 HE3 LYS 26 - HD3 LYS 31 far 5 99 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 99 5 - 4.6-18.1 HE2 LYS 24 - HD3 LYS 31 far 5 99 5 - 4.7-18.8 HE3 LYS 31 - HD2 LYS 26 far 5 99 5 - 4.9-15.3 HE3 LYS 26 - HD2 LYS 31 far 5 99 5 - 5.2-17.8 HE3 LYS 31 - HD3 LYS 36 far 5 90 5 - 4.8-13.8 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 95 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 60 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 100 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 99 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 99 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 99 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 90 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 63 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 94 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 84 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 85 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 60 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 99 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 99 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 90 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 100 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 85 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 88 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 92 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 85 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 88 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 100 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 85 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 90 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 90 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 63 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 92 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 85 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 88 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 89 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 89 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 88 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 555 from cnoeabs.peaks (8.10, 1.66, 28.90 ppm; 4.65 A): 4 out of 23 assignments used, quality = 1.00: H THR 25 + HD2 LYS 24 OK 100 100 100 100 2.2-5.7 6233/3.5=67, 6232/3.5=66...(50) * H THR 25 + HD3 LYS 24 OK 95 100 95 100 1.9-6.7 6233/3.5=67, 6232/3.5=66...(50) H THR 25 + HD2 LYS 26 OK 48 100 50 95 4.6-9.4 6245/5.7=46, 522/2.9=26...(39) H THR 25 + HD3 LYS 26 OK 29 100 30 95 5.6-8.4 6245/5.7=46, 522/2.9=26...(42) H THR 25 - HD3 LYS 19 poor 18 90 20 - 4.0-18.2 H THR 25 - HD2 LYS 31 far 10 100 10 - 5.3-14.3 H THR 25 - HD3 LYS 31 far 10 100 10 - 5.9-15.7 H THR 25 - HD2 LYS 19 far 9 90 10 - 4.6-16.4 H THR 25 - HD2 LYS 36 far 5 92 5 - 5.4-22.7 H ALA 109 - HD2 LYS 26 far 4 83 5 - 4.8-32.0 H ALA 109 - HD3 LYS 26 far 4 82 5 - 5.9-31.0 H ALA 108 - HD2 LYS 26 far 4 78 5 - 5.7-31.5 H THR 25 - HD3 LYS 36 far 0 92 0 - 6.9-23.4 H LEU 103 - HD3 LYS 26 far 0 80 0 - 7.2-27.5 H ASN 121 - HD3 LYS 24 far 0 87 0 - 7.2-34.4 H ALA 108 - HD3 LYS 26 far 0 78 0 - 7.4-30.5 H LEU 103 - HD2 LYS 26 far 0 81 0 - 8.6-26.8 H ASN 120 - HD3 LYS 24 far 0 68 0 - 8.7-34.2 H ASN 121 - HD2 LYS 24 far 0 87 0 - 8.8-35.2 H ALA 108 - HD3 LYS 24 far 0 78 0 - 8.8-39.5 H ALA 109 - HD3 LYS 24 far 0 83 0 - 8.9-40.4 H ALA 108 - HD2 LYS 24 far 0 78 0 - 9.6-40.6 H ALA 108 - HD2 LYS 31 far 0 78 0 - 9.9-29.7 Violated in 0 structures by 0.00 A. Peak 558 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 5.29 A): 17 out of 61 assignments used, quality = 1.00: * HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 3.1-5.1 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.8-5.0 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.0-4.9 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 86 86 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 86 86 100 100 2.6-5.5 4.8=100 HB ILE 80 + HE3 LYS 86 OK 86 96 90 100 2.3-7.3 ~11243=70, 9729/2704=65...(24) HB2 LYS 31 + HE3 LYS 31 OK 86 86 100 100 1.8-4.7 4.8=100 HG3 ARG 90 + HE3 LYS 86 OK 60 90 70 95 4.2-9.7 11303/9660=63...(9) HB2 LYS 31 + HE2 LYS 26 OK 45 86 55 95 3.2-17.5 639/3.6=8, 628/3.6=8...(147) HB2 LYS 31 + HE3 LYS 26 OK 41 86 50 95 3.4-17.3 639/3.6=8, 628/3.6=8...(133) HB2 ARG 23 + HE2 LYS 26 OK 28 83 55 60 3.9-14.3 3.0/11618=11, ~11618=6...(33) HB2 LYS 19 + HE3 LYS 24 OK 27 98 30 91 5.3-18.0 823/4.0=5, 1.8/2634=4...(114) HB2 LYS 26 + HE3 LYS 31 OK 26 86 35 85 4.2-12.2 823/3.7=7, 834/3.7=7...(96) HB2 LYS 26 + HE2 LYS 31 OK 24 94 30 85 4.4-12.8 823/3.7=7, 834/3.7=7...(97) HB2 LYS 19 + HE2 LYS 24 OK 23 100 25 92 4.1-17.5 823/4.0=5, 1.8/2634=5...(131) HB2 ARG 23 - HE3 LYS 26 poor 20 83 40 60 3.3-14.8 ~11618=8, 3.0/11618=7...(36) HB2 LYS 26 - HE2 LYS 36 poor 20 100 20 - 3.3-22.3 HB2 LYS 31 - HE2 LYS 36 poor 20 100 20 - 3.5-12.9 HB2 LYS 26 - HE3 LYS 36 poor 20 98 20 - 4.9-22.7 HB2 LYS 24 - HE3 LYS 26 poor 17 87 20 - 5.3-12.3 HB2 LYS 24 - HE2 LYS 19 poor 15 100 25 61 3.8-18.2 305/2.9=2, 613=2...(22) HB2 ARG 23 - HE2 LYS 24 far 15 99 15 - 6.2-11.2 HB2 LYS 24 - HE3 LYS 19 poor 15 94 30 52 4.9-17.5 2.9/532=2, 305/2.9=2...(21) HB2 LYS 31 - HE3 LYS 36 far 15 98 15 - 4.9-12.6 HB2 ARG 23 - HE3 LYS 24 far 14 96 15 - 5.8-11.2 HB2 LYS 31 - HE2 LYS 24 far 10 100 10 - 4.9-20.2 HB2 ARG 23 - HE2 LYS 36 far 10 98 10 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 36 far 10 96 10 - 4.0-24.1 HB2 LYS 19 - HE2 LYS 31 far 9 94 10 - 5.2-25.0 HB2 LYS 19 - HE3 LYS 31 far 9 86 10 - 5.9-25.9 HB2 LYS 24 - HE2 LYS 36 far 5 100 5 - 1.9-26.5 HB2 LYS 26 - HE2 LYS 24 far 5 100 5 - 4.0-13.1 HB2 LYS 24 - HE3 LYS 36 far 5 98 5 - 3.6-27.4 HB2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.4-13.6 HB2 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.8-20.7 HB2 LYS 24 - HE3 LYS 31 far 4 87 5 - 6.7-18.7 HB2 ARG 23 - HE3 LYS 31 far 4 83 5 - 5.7-20.0 HB2 LYS 24 - HE2 LYS 26 lone 4 87 30 14 5.6-12.3 11151/9587=5, 834/3.6=2 HB2 LEU 43 - HE3 LYS 36 far 0 78 0 - 6.8-18.1 HB2 LYS 19 - HE2 LYS 26 far 0 86 0 - 6.8-24.3 HB2 LYS 24 - HE2 LYS 31 far 0 94 0 - 6.9-18.8 HB2 ARG 23 - HE2 LYS 31 far 0 91 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 93 0 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 91 0 - 7.5-16.1 HB2 LEU 43 - HE2 LYS 31 far 0 73 0 - 7.6-24.1 HB2 LYS 19 - HE3 LYS 26 far 0 86 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 94 0 - 8.2-24.9 HB2 LEU 43 - HE2 LYS 36 far 0 82 0 - 8.5-17.0 HB2 LYS 19 - HE3 LYS 36 far 0 98 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 89 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.9-16.3 HB2 LEU 43 - HE3 LYS 31 far 0 66 0 - 9.3-24.7 HG13 ILE 129 - HE3 LYS 86 far 0 99 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 93 0 - 9.7-15.5 HB2 LEU 43 - HE3 LYS 24 far 0 78 0 - 9.7-31.8 HG LEU 100 - HE3 LYS 31 far 0 44 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 89 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 559 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 6.06 A): 29 out of 75 assignments used, quality = 1.00: * HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.1 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 HB ILE 32 + HE2 LYS 36 OK 99 100 100 100 3.4-7.6 ~10837=30, 10833/3.0=29...(57) HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.8-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-4.5 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.3-4.8 5.1=100 HB ILE 32 + HE3 LYS 36 OK 88 98 90 100 2.0-7.9 ~10837=30, 10833/3.0=29...(56) HB3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.0-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 86 86 100 100 2.0-5.4 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 86 86 100 100 3.3-5.0 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 83 83 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 31 OK 57 93 65 95 4.3-9.5 10825=14, 902/7.1=13...(61) HB ILE 32 + HE2 LYS 26 OK 49 86 60 96 4.8-19.8 ~10767=14, ~10840=14...(62) HB ILE 32 + HE3 LYS 26 OK 49 86 60 95 4.6-19.4 ~10767=14, ~10840=14...(62) HB3 LYS 31 + HE2 LYS 26 OK 47 87 55 98 2.2-19.2 629/3.6=9, 6332/6337=8...(145) HB3 LYS 31 + HE3 LYS 26 OK 46 87 55 97 3.3-19.0 629/3.6=9, 6332/6337=8...(142) HB ILE 32 + HE3 LYS 31 OK 45 86 55 95 4.6-10.3 10825/1.8=13, 902/7.1=13...(60) HB2 LYS 36 + HE2 LYS 26 OK 42 86 55 87 2.4-29.4 1.8/1004=14, ~1004=11...(50) HB3 LYS 19 + HE3 LYS 24 OK 41 98 45 94 3.9-16.9 2634/1.8=4, 526/4.0=4...(137) HB3 LYS 26 + HE2 LYS 31 OK 38 93 45 92 3.9-12.8 1019/3.7=7, 835/3.7=6...(116) HB3 LYS 19 + HE2 LYS 24 OK 33 100 35 94 2.6-16.3 2634=5, 526/4.0=4...(135) HB2 LYS 36 + HE3 LYS 26 OK 32 86 45 83 2.6-28.9 1.8/1003=13, ~1004=12...(30) HB3 LYS 26 + HE3 LYS 31 OK 32 86 40 92 4.4-13.0 1019/3.7=7, 835/3.7=6...(116) HB3 ARG 23 + HE2 LYS 26 OK 31 83 55 69 3.0-13.9 3.0/11618=13, ~11618=7...(60) HB3 ARG 23 + HE3 LYS 26 OK 28 83 50 68 2.6-15.2 ~11618=10, 3.0/11618=9...(59) HB3 LYS 24 + HE3 LYS 19 OK 23 94 35 69 4.6-17.1 2.9/532=2, 509=2...(61) HB3 LYS 24 + HE2 LYS 19 OK 22 100 30 75 3.5-17.2 2.9/532=2, 1.8/613=2...(73) HB3 LYS 26 - HE2 LYS 36 poor 20 99 20 - 4.2-22.7 HB2 LYS 36 - HE3 LYS 31 poor 17 86 20 - 5.6-14.2 HB3 LYS 31 - HE2 LYS 24 far 15 100 15 - 6.0-19.3 HB3 ARG 23 - HE2 LYS 24 far 15 98 15 - 7.2-10.3 HB3 ARG 23 - HE2 LYS 36 far 15 98 15 - 3.5-23.5 HB3 ARG 23 - HE2 LYS 31 far 13 90 15 - 6.3-18.9 HB3 ARG 23 - HE3 LYS 24 poor 13 95 25 55 7.0-10.6 6214/7.4=24, 1008/4.0=5...(26) HB3 LYS 31 - HE3 LYS 36 poor 11 98 40 29 4.9-14.1 6332/6337=3...(4) HB3 LYS 24 - HE2 LYS 36 far 10 100 10 - 3.5-25.9 HB3 LYS 26 - HE2 LYS 24 far 10 100 10 - 5.2-13.2 HB3 LYS 26 - HE3 LYS 24 far 10 97 10 - 6.0-13.6 HB3 ARG 23 - HE3 LYS 36 far 9 95 10 - 4.4-24.0 HB3 ARG 23 - HE3 LYS 31 far 8 83 10 - 5.4-20.0 HB3 LYS 31 - HE2 LYS 36 poor 8 100 25 31 5.3-14.3 10751/10813=3, 6332/6337=2 HB2 CYS 79 - HE3 LYS 86 far 7 69 10 - 6.5-10.0 HB3 LYS 26 - HE3 LYS 36 poor 5 97 25 22 5.3-23.0 10720/10721=3, 10751/10813=2 HB2 LYS 36 - HE2 LYS 24 far 5 100 5 - 6.1-29.9 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB ILE 32 - HE2 LYS 24 far 5 100 5 - 7.3-20.7 HB3 LYS 24 - HE3 LYS 36 far 5 98 5 - 5.2-26.7 HB3 LYS 31 - HE3 LYS 24 far 5 98 5 - 6.7-20.0 HB2 LYS 36 - HE3 LYS 24 far 5 98 5 - 7.5-29.6 HB3 LYS 31 - HE3 LYS 19 far 5 94 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 31 far 5 94 5 - 6.5-26.1 HB3 LYS 19 - HE2 LYS 26 far 4 87 5 - 6.1-23.7 HB3 LYS 19 - HE3 LYS 31 far 4 87 5 - 7.4-27.0 HB3 LYS 24 - HE2 LYS 26 lone 4 87 35 13 5.5-13.1 985/9587=1 HB3 LYS 24 - HE3 LYS 26 lone 3 87 25 15 4.8-12.9 985/9587=2 HB3 LEU 98 - HE2 LYS 24 far 3 60 5 - 6.6-34.7 HB3 LEU 98 - HE3 LYS 24 far 3 56 5 - 6.5-36.2 HB2 LYS 36 - HE2 LYS 31 lone 2 94 25 10 6.2-12.8 10898/10766=4, 929/9008=3 HB3 LYS 24 - HE3 LYS 31 far 0 87 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 87 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 94 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 93 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 92 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 90 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 64 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 78 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 99 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 64 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 560 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 5.27 A): 14 out of 125 assignments used, quality = 1.00: * HG2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-4.2 4.0=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.3-3.2 3.8=100 HG3 LYS 31 + HE2 LYS 31 OK 88 88 100 100 2.4-4.2 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.1-4.1 3.6=100 HG2 LYS 19 + HE3 LYS 19 OK 82 82 100 100 2.0-2.8 3.8=100 HG3 LYS 31 + HE3 LYS 31 OK 80 80 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE2 LYS 24 OK 25 92 30 90 2.9-18.6 3.0/2634=4, 4.2/11770=3...(150) HG2 LYS 19 + HE3 LYS 24 OK 23 88 30 88 3.9-19.3 3.0/2634=3, 3.0/1228=3...(113) HG2 LYS 36 + HE3 LYS 26 OK 21 87 30 80 5.1-26.6 3.0/1003=9, ~1004=7...(38) HG3 LYS 26 + HE2 LYS 31 OK 21 94 25 88 5.0-15.0 639/4.8=6, 640/4.8=5...(128) QB ALA 28 - HE2 LYS 24 poor 20 100 20 - 4.5-13.8 HG2 LYS 24 - HE2 LYS 19 poor 20 100 20 - 4.3-16.8 HG3 LYS 31 - HE2 LYS 26 poor 19 80 25 97 4.3-18.5 834/4.8=5, 5.0/6337=5...(184) HG3 LYS 31 - HE3 LYS 26 poor 19 80 25 97 4.8-18.3 834/4.8=5, 5.0/6337=5...(180) HG3 LYS 31 - HE2 LYS 36 poor 19 96 20 - 4.3-14.3 HG3 LYS 26 - HE3 LYS 31 poor 19 87 25 89 5.8-14.5 639/4.8=6, 640/4.8=5...(127) QB ALA 15 - HE2 LYS 31 poor 19 94 20 - 3.9-23.1 HG3 LYS 31 - HE3 LYS 36 poor 19 93 20 - 4.5-14.3 QB ALA 16 - HE3 LYS 19 poor 18 62 30 - 3.5-9.7 QB ALA 29 - HE3 LYS 26 poor 17 87 20 - 4.0-12.1 QB ALA 29 - HE2 LYS 26 poor 17 87 20 - 4.1-12.1 QB ALA 15 - HE3 LYS 31 poor 17 86 20 - 4.6-22.3 QB ALA 28 - HE2 LYS 26 poor 17 86 20 - 5.9-10.2 HG2 LYS 24 - HE3 LYS 19 poor 17 94 25 72 3.6-18.0 835/5.1=3, 598/6.4=3...(24) QB ALA 28 - HE2 LYS 31 poor 13 93 40 35 4.7-10.1 ~10771=22, 6334/7.1=8...(5) HG2 LYS 36 - HE2 LYS 26 far 13 87 15 - 5.0-27.0 QB ALA 28 - HE3 LYS 26 far 13 86 15 - 5.4-9.7 QB ALA 28 - HE3 LYS 31 poor 11 86 35 35 4.1-9.8 ~10771=22, 6334/7.1=8...(5) QB ALA 16 - HE3 LYS 24 far 10 67 15 - 4.4-18.8 QB ALA 29 - HE2 LYS 24 far 10 100 10 - 5.6-13.5 HB2 LEU 42 - HE2 LYS 36 far 10 100 10 - 6.0-12.2 HB2 LEU 42 - HE3 LYS 36 far 10 98 10 - 5.0-13.1 HG3 LYS 26 - HE3 LYS 24 far 10 98 10 - 5.5-12.7 HG2 LYS 36 - HE2 LYS 31 far 9 94 10 - 5.3-13.7 QB ALA 28 - HE3 LYS 19 far 9 93 10 - 5.7-22.4 HG3 LYS 31 - HE3 LYS 19 far 9 88 10 - 6.4-26.3 QB ALA 29 - HE3 LYS 36 poor 9 98 40 22 5.3-11.4 10739/9008=11, 10790/10825=10 QB ALA 29 - HE2 LYS 36 poor 9 100 35 25 5.2-11.0 10790/10825=12, 10739/9008=11 HG2 LYS 24 - HE3 LYS 26 far 9 87 10 - 5.4-12.1 HG2 LYS 24 - HE2 LYS 26 far 9 87 10 - 5.9-12.0 QB ALA 108 - HE3 LYS 26 far 9 86 10 - 5.8-24.3 QB ALA 29 - HE2 LYS 31 poor 8 94 35 25 4.3-10.0 10790/10825=7...(7) QB ALA 109 - HE3 LYS 26 far 8 83 10 - 5.3-26.1 QB ALA 12 - HE3 LYS 24 far 8 78 10 - 5.0-19.7 QB ALA 16 - HE2 LYS 24 far 7 71 10 - 3.4-18.8 QB ALA 29 - HE3 LYS 31 poor 7 87 35 23 4.8-10.3 10739/9008=6, 749/7.1=5...(7) QB ALA 16 - HE3 LYS 31 far 6 55 10 - 5.0-24.1 HG3 LYS 26 - HE2 LYS 36 poor 5 100 25 21 4.6-24.5 10704/10813=3 QB ALA 15 - HE2 LYS 24 far 5 100 5 - 2.0-19.1 HG2 LYS 24 - HE2 LYS 36 far 5 100 5 - 4.2-26.3 HG3 LYS 26 - HE2 LYS 24 far 5 100 5 - 5.0-12.3 HG2 LYS 36 - HE2 LYS 24 far 5 100 5 - 6.3-27.7 QB ALA 108 - HE2 LYS 24 far 5 100 5 - 6.0-32.3 HG3 LYS 95 - HE2 LYS 24 far 5 99 5 - 5.2-35.1 QB ALA 28 - HE2 LYS 36 far 5 100 5 - 6.6-15.3 HG2 LYS 95 - HE2 LYS 24 far 5 99 5 - 5.7-34.8 QB ALA 15 - HE3 LYS 24 far 5 98 5 - 2.0-19.1 HG2 LYS 24 - HE3 LYS 36 far 5 98 5 - 5.7-27.3 QB ALA 29 - HE3 LYS 24 far 5 98 5 - 6.3-14.0 QB ALA 109 - HE2 LYS 19 far 5 97 5 - 5.1-43.2 QB ALA 108 - HE3 LYS 24 far 5 97 5 - 6.2-33.6 HG3 LYS 95 - HE3 LYS 24 far 5 97 5 - 4.2-36.6 HG3 LYS 31 - HE2 LYS 24 far 5 97 5 - 4.1-18.0 HG2 LYS 95 - HE3 LYS 24 far 5 96 5 - 4.3-36.3 HG3 LYS 31 - HE2 LYS 19 far 5 96 5 - 6.7-25.4 HG3 LYS 31 - HE3 LYS 24 far 5 93 5 - 5.2-18.7 QB ALA 109 - HE3 LYS 19 far 4 90 5 - 4.7-41.8 HG3 LYS 26 - HE3 LYS 36 lone 4 98 25 17 4.4-24.9 10704/10813=3 HG2 LYS 36 - HE3 LYS 31 far 4 87 5 - 5.1-14.9 QB ALA 110 - HE3 LYS 26 far 4 86 5 - 4.0-28.9 HG2 LYS 24 - HE3 LYS 31 far 4 87 5 - 6.8-19.4 QB ALA 110 - HE2 LYS 26 far 4 86 5 - 4.9-30.1 QB ALA 108 - HE3 LYS 31 far 4 86 5 - 6.5-27.3 QB ALA 12 - HE2 LYS 24 far 4 83 5 - 6.2-19.2 QB ALA 109 - HE2 LYS 26 far 4 83 5 - 6.6-27.0 HG2 LYS 19 - HE3 LYS 31 far 4 75 5 - 6.5-27.2 QB ALA 12 - HE2 LYS 31 far 4 73 5 - 6.0-23.5 QB ALA 16 - HE3 LYS 36 far 3 67 5 - 5.5-25.6 QB ALA 16 - HE2 LYS 31 far 3 62 5 - 5.8-23.5 QB ALA 12 - HE2 LYS 19 lone 1 82 65 3 4.2-15.0 QB ALA 28 - HE3 LYS 24 lone 1 98 25 5 5.3-13.7 11150/9587=2, 10790/5.1=1 QB ALA 12 - HE3 LYS 19 lone 1 73 50 3 4.2-15.1 QB ALA 15 - HE2 LYS 19 lone 1 100 35 2 2.0-11.7 QB ALA 16 - HE2 LYS 19 lone 1 70 35 2 4.4-10.6 QB ALA 15 - HE3 LYS 19 lone 0 94 25 2 2.1-13.2 QB ALA 16 - HE2 LYS 36 far 0 70 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 99 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 86 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 98 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 93 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 66 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 99 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 82 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 93 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 98 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 98 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 94 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 100 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 98 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 94 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 88 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 94 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 75 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 87 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 95 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 86 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 86 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 83 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 100 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 94 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 94 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 86 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 90 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 87 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 78 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 82 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 55 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 55 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 100 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 561 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 6.65 A): 28 out of 68 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-4.2 4.0=100 HG3 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.3-3.8 3.8=100 HG13 ILE 32 + HE2 LYS 36 OK 94 99 95 100 2.8-9.0 ~10767=32, ~10837=29...(65) HG2 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.3-4.1 3.7=100 HG13 ILE 32 + HE3 LYS 36 OK 91 96 95 100 3.2-9.5 ~10767=32, ~10837=29...(66) HG2 LYS 31 + HE3 LYS 31 OK 86 86 100 100 2.1-4.2 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.0-4.1 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 78 78 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 78 78 100 100 2.0-4.0 3.6=100 HG3 LYS 36 + HE3 LYS 36 OK 76 76 100 100 2.2-3.5 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.0-2.9 3.7=100 HG3 LYS 86 + HE3 LYS 86 OK 58 58 100 100 3.3-3.7 3.7=100 HG13 ILE 32 + HE3 LYS 26 OK 53 84 65 96 2.0-17.3 ~10767=20, 3.2/10766=14...(63) HG13 ILE 32 + HE2 LYS 31 OK 53 92 60 96 2.3-9.1 10757/6.5=28...(64) HG13 ILE 32 + HE2 LYS 26 OK 49 84 60 96 2.1-17.7 ~10767=20, 3.2/10766=13...(63) HG13 ILE 32 + HE3 LYS 31 OK 49 84 60 96 2.0-9.6 10757/6.5=28...(65) HG2 LYS 31 + HE2 LYS 26 OK 43 86 50 99 3.8-19.7 5.0/6337=8, 823/4.8=7...(189) HG2 LYS 26 + HE3 LYS 31 OK 38 78 50 97 6.0-14.4 629/4.8=8, 628/4.8=7...(162) HG3 LYS 19 + HE3 LYS 24 OK 38 98 40 96 4.8-19.1 3.0/1217=5, 3.0/2634=4...(175) HG2 LYS 26 + HE2 LYS 31 OK 37 85 45 96 5.4-15.0 629/4.8=8, 628/4.8=7...(161) HG2 LYS 31 + HE3 LYS 26 OK 34 86 40 100 5.3-19.4 5.0/6337=8, 823/4.8=7...(191) HG3 LYS 19 + HE2 LYS 24 OK 34 100 35 97 3.4-18.5 3.0/2634=5, ~1228=5...(179) HG3 LYS 24 + HE3 LYS 19 OK 31 94 40 82 4.5-18.1 823/5.1=5, 822/6.4=5...(79) HG3 LYS 24 + HE2 LYS 19 OK 29 100 35 82 3.7-17.8 823/5.1=5, 822/6.4=5...(76) HG3 LYS 36 + HE3 LYS 26 OK 28 64 50 89 4.4-26.9 3.0/1004=13, ~1004=12...(66) HG3 LYS 36 + HE2 LYS 26 OK 26 64 45 91 4.5-27.4 3.0/1004=14, ~1004=11...(71) HG2 LYS 31 - HE2 LYS 36 poor 20 100 20 - 4.9-14.4 HG3 LYS 36 - HE3 LYS 31 poor 19 64 30 - 3.7-15.5 HG2 LYS 26 - HE2 LYS 24 poor 19 95 20 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 poor 18 91 20 - 6.0-13.5 HG3 LYS 24 - HE3 LYS 26 poor 17 87 20 - 6.5-13.4 QB ALA 34 - HE3 LYS 26 poor 15 50 30 - 6.1-21.1 HG2 LYS 31 - HE2 LYS 24 far 15 100 15 - 3.3-18.4 HG2 LYS 31 - HE3 LYS 24 far 15 98 15 - 4.0-19.0 QB ALA 34 - HE2 LYS 36 poor 13 65 85 24 5.1-8.4 10878/7.3=10, 932/9008=3...(6) QB ALA 34 - HE3 LYS 36 poor 13 61 85 24 5.3-9.2 10878/7.3=10, 663/3.0=3...(6) QB ALA 34 - HE2 LYS 26 poor 10 50 20 - 5.7-20.7 HG2 LYS 26 - HE2 LYS 36 poor 9 94 35 28 4.1-24.5 908/10766=2 HG2 LYS 31 - HE3 LYS 36 poor 9 98 30 32 5.4-14.2 5.0/6337=3, 3.0/2634=1 HG3 LYS 19 - HE2 LYS 31 far 9 94 10 - 7.5-27.6 HG2 LYS 31 - HE3 LYS 19 far 9 93 10 - 7.3-26.2 QB ALA 34 - HE2 LYS 31 far 9 57 15 - 7.0-12.5 HG2 LYS 26 - HE3 LYS 36 poor 8 91 40 23 3.8-24.9 908/10766=2 QB ALA 34 - HE3 LYS 24 far 6 61 10 - 6.1-23.8 HG3 LYS 24 - HE2 LYS 26 poor 6 87 30 23 6.7-12.9 523/7.1=3, 1018/9587=2 HG3 LYS 24 - HE2 LYS 36 far 5 100 5 - 3.2-24.6 HG2 LYS 31 - HE2 LYS 19 far 5 99 5 - 7.9-25.9 HG13 ILE 32 - HE2 LYS 24 far 5 99 5 - 7.8-19.0 HG3 LYS 24 - HE3 LYS 36 far 5 98 5 - 4.8-25.5 HG3 LYS 19 - HE3 LYS 31 far 4 87 5 - 7.1-28.4 HG3 LYS 19 - HE2 LYS 26 far 4 87 5 - 8.0-25.3 HG3 LYS 36 - HE2 LYS 24 far 4 81 5 - 4.6-28.4 HG3 LYS 36 - HE3 LYS 24 far 4 76 5 - 6.2-28.3 QB ALA 34 - HE2 LYS 24 far 3 65 5 - 6.7-22.8 HG3 LYS 36 - HE2 LYS 31 lone 3 71 35 12 4.4-14.3 10901/10721=5, 900/10825=2 QB ALA 34 - HE3 LYS 31 far 3 50 5 - 7.1-12.4 HG3 LYS 24 - HE3 LYS 31 far 0 87 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 92 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 89 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 96 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 87 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 80 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 86 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 562 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 4.23 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 87 87 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 87 87 100 100 2.4-3.0 2.9=100 HD3 LYS 26 + HE3 LYS 26 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 86 86 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 2.9-24.6 HD2 LYS 24 - HE2 LYS 19 poor 20 100 20 - 5.2-19.0 HD2 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.3-25.8 HD3 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.8-24.9 HD3 LYS 24 - HE3 LYS 19 poor 19 94 20 - 3.7-17.8 HD2 LYS 19 - HE3 LYS 24 poor 18 92 20 - 2.9-18.4 HD2 LYS 36 - HE2 LYS 31 poor 18 90 20 - 3.1-14.2 HD2 LYS 36 - HE2 LYS 26 poor 17 83 20 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 poor 17 83 20 - 3.6-25.8 HD2 LYS 26 - HE2 LYS 36 far 15 100 15 - 1.9-25.5 HD2 LYS 24 - HE3 LYS 19 far 14 94 15 - 3.9-18.3 HD3 LYS 36 - HE2 LYS 26 far 12 83 15 - 4.7-26.1 HD2 LYS 19 - HE2 LYS 24 poor 10 96 35 31 2.6-17.0 3.9/2634=2, 3.0/531=2...(4) HD2 LYS 31 - HE2 LYS 36 far 10 100 10 - 4.6-13.1 HD2 LYS 26 - HE2 LYS 31 far 9 94 10 - 3.3-15.6 HD3 LYS 26 - HE2 LYS 31 far 9 94 10 - 4.2-14.6 HD3 LYS 24 - HE2 LYS 19 poor 9 100 25 37 4.2-18.5 2632/5.1=2, 307/3.8=1...(4) HD3 LYS 36 - HE2 LYS 31 far 9 90 10 - 4.3-13.8 HD3 LYS 19 - HE2 LYS 24 poor 9 96 30 30 2.7-18.2 3.9/2634=2, 3.0/531=2...(4) HD3 LYS 31 - HE2 LYS 26 far 9 87 10 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 9 87 10 - 4.9-15.3 HD3 LYS 26 - HE3 LYS 31 far 9 86 10 - 4.6-14.9 HD2 LYS 36 - HE3 LYS 31 far 8 83 10 - 3.6-14.4 HD3 LYS 19 - HE3 LYS 24 poor 7 92 25 31 2.2-19.0 3.9/2634=2, 5.2/11770=2...(5) HD2 LYS 36 - HE3 LYS 26 poor 7 83 25 32 2.5-24.7 3.5/1003=5, 3.0/1026=3...(9) HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD3 LYS 31 - HE2 LYS 24 far 5 100 5 - 4.7-18.8 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.0-18.2 HD3 LYS 31 - HE3 LYS 36 far 5 98 5 - 5.3-12.3 HD2 LYS 31 - HE3 LYS 36 far 5 98 5 - 5.7-13.3 HD3 LYS 95 - HE3 LYS 24 far 5 98 5 - 5.3-36.2 HD3 LYS 31 - HE3 LYS 26 far 4 87 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 26 far 4 87 5 - 5.2-17.8 HD3 LYS 36 - HE3 LYS 31 far 4 83 5 - 4.8-13.8 HD3 LYS 24 - HE2 LYS 36 far 0 100 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 98 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 87 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 87 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 96 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 100 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 98 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 87 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 95 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 83 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 98 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 87 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 71 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 79 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 87 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 95 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 79 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 92 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 92 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 71 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 86 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 84 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 83 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 95 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 84 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 83 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 79 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 95 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 79 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 91 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 85 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 95 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 94 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 77 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 83 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 89 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 88 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 83 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 79 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 70 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 563 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 4.23 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.6-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.4-3.0 2.9=100 HD2 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 2.9-24.6 HD2 LYS 24 - HE2 LYS 19 poor 20 100 20 - 5.2-19.0 HD2 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.3-25.8 HD3 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.8-24.9 HD3 LYS 24 - HE3 LYS 19 poor 19 94 20 - 3.7-17.8 HD2 LYS 19 - HE3 LYS 24 poor 19 93 20 - 2.9-18.4 HD2 LYS 36 - HE2 LYS 31 poor 18 89 20 - 3.1-14.2 HD2 LYS 36 - HE2 LYS 26 poor 16 82 20 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 poor 16 82 20 - 3.6-25.8 HD2 LYS 26 - HE2 LYS 36 far 15 100 15 - 1.9-25.5 HD2 LYS 24 - HE3 LYS 19 far 14 94 15 - 3.9-18.3 HD3 LYS 36 - HE2 LYS 26 far 12 82 15 - 4.7-26.1 HD2 LYS 19 - HE2 LYS 24 poor 10 97 35 31 2.6-17.0 3.9/2634=2, 3.0/531=2...(4) HD2 LYS 31 - HE2 LYS 36 far 10 100 10 - 4.6-13.1 HD2 LYS 26 - HE2 LYS 31 far 9 94 10 - 3.3-15.6 HD3 LYS 26 - HE2 LYS 31 far 9 94 10 - 4.2-14.6 HD3 LYS 24 - HE2 LYS 19 poor 9 100 25 37 4.2-18.5 2632/5.1=2, 307/3.8=1...(4) HD3 LYS 36 - HE2 LYS 31 far 9 89 10 - 4.3-13.8 HD3 LYS 19 - HE2 LYS 24 poor 9 97 30 30 2.7-18.2 3.9/2634=2, 3.0/531=2...(4) HD3 LYS 31 - HE2 LYS 26 far 9 87 10 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 9 87 10 - 4.9-15.3 HD3 LYS 26 - HE3 LYS 31 far 9 87 10 - 4.6-14.9 HD2 LYS 36 - HE3 LYS 31 far 8 82 10 - 3.6-14.4 HD3 LYS 19 - HE3 LYS 24 poor 7 93 25 31 2.2-19.0 3.9/2634=2, 5.2/11770=2...(5) HD2 LYS 36 - HE3 LYS 26 poor 6 82 25 32 2.5-24.7 3.5/1003=5, 3.0/1026=3...(9) HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD3 LYS 31 - HE2 LYS 24 far 5 100 5 - 4.7-18.8 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.0-18.2 HD3 LYS 31 - HE3 LYS 36 far 5 98 5 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 5 98 5 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 5 98 5 - 5.7-13.3 HD3 LYS 31 - HE3 LYS 26 far 4 87 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 26 far 4 87 5 - 5.2-17.8 HD3 LYS 36 - HE3 LYS 31 far 4 82 5 - 4.8-13.8 HD3 LYS 24 - HE2 LYS 36 far 0 100 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 98 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 87 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 88 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 97 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 100 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 99 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 88 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 96 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 87 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 97 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 87 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 74 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 80 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 87 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 94 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 80 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 74 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 88 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 83 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 83 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 94 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 83 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 80 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 96 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 80 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 90 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 87 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 96 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 94 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 79 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 83 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 87 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 86 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 83 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 80 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 71 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 564 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 99 99 - 100 HE3 LYS 36 + HE3 LYS 36 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE3 LYS 19 + HE3 LYS 19 OK 90 90 - 100 HE2 LYS 31 + HE2 LYS 31 OK 90 90 - 100 HE2 LYS 26 + HE2 LYS 26 OK 79 79 - 100 HE3 LYS 26 + HE3 LYS 26 OK 79 79 - 100 HE3 LYS 31 + HE3 LYS 31 OK 79 79 - 100 Peak 565 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 99 99 - 100 HE3 LYS 86 + HE3 LYS 86 OK 99 99 - 100 HE3 LYS 36 + HE3 LYS 36 OK 98 98 - 100 HE3 LYS 24 + HE3 LYS 24 OK 98 98 - 100 HE3 LYS 19 + HE3 LYS 19 OK 94 94 - 100 HE2 LYS 31 + HE2 LYS 31 OK 94 94 - 100 HE2 LYS 26 + HE2 LYS 26 OK 85 85 - 100 HE3 LYS 26 + HE3 LYS 26 OK 85 85 - 100 HE3 LYS 31 + HE3 LYS 31 OK 85 85 - 100 Reference assignment not found: HE3 LYS 24 - HE2 LYS 24 Peak 569 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 6.69 A): 21 out of 61 assignments used, quality = 1.00: * HB2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 3.1-5.1 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.0-4.9 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-4.5 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.6-5.5 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 1.8-4.7 4.8=100 HB ILE 80 + HE3 LYS 86 OK 97 97 100 100 2.3-7.3 ~11243=93, 9729/2704=88...(24) HG3 ARG 90 + HE3 LYS 86 OK 81 91 90 99 4.2-9.7 11303/9660=79...(9) HB2 LYS 31 + HE2 LYS 26 OK 63 98 65 99 3.2-17.5 6331/6337=9, 639/3.6=9...(164) HB2 LYS 31 + HE3 LYS 26 OK 63 98 65 99 3.4-17.3 6331/6337=9, 639/3.6=9...(159) HB2 LYS 26 + HE2 LYS 31 OK 61 100 65 94 4.4-12.8 834/3.7=9, 799/7.1=8...(129) HB2 LYS 26 + HE3 LYS 31 OK 51 98 55 94 4.2-12.2 834/3.7=9, 799/7.1=8...(129) HB2 LYS 19 + HE3 LYS 24 OK 49 100 50 97 5.3-18.0 823/4.0=6, 1.8/2634=5...(166) HB2 ARG 23 + HE2 LYS 26 OK 43 96 60 75 3.9-14.3 3.0/11618=14, ~11618=8...(66) HB2 ARG 23 + HE3 LYS 26 OK 39 96 55 74 3.3-14.8 ~11618=12, 3.0/11618=9...(65) HB2 LYS 19 + HE2 LYS 24 OK 33 98 35 97 4.1-17.5 823/4.0=6, 1.8/2634=5...(165) HB2 LYS 24 + HE2 LYS 19 OK 26 100 35 75 3.8-18.2 790/6.4=3, 613=2...(73) HB2 ARG 23 + HE3 LYS 24 OK 24 99 35 70 5.8-11.2 6213/7.4=31, 481/6.4=14...(37) HB2 LYS 24 + HE3 LYS 19 OK 24 100 35 67 4.9-17.5 2.9/532=3, 790/6.4=3...(56) HB2 ARG 23 - HE2 LYS 24 poor 20 96 30 69 6.2-11.2 6213/7.4=31, 481/6.4=14...(34) HB2 LYS 31 - HE3 LYS 36 poor 18 100 55 33 4.9-12.6 6331/6337=4, 807=2, 1.8/2634=2 HB2 LYS 26 - HE3 LYS 24 far 15 100 15 - 4.4-13.6 HB2 ARG 23 - HE3 LYS 36 far 15 99 15 - 4.0-24.1 HB2 ARG 23 - HE2 LYS 36 far 15 97 15 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 31 far 14 96 15 - 5.7-20.0 HB2 LYS 31 - HE2 LYS 36 poor 13 99 35 37 3.5-12.9 6331/6337=2, 808/1.8=1...(5) HB2 LYS 24 - HE2 LYS 26 poor 11 98 50 22 5.6-12.3 11151/9587=7, 834/3.6=2 HB2 LYS 31 - HE3 LYS 24 far 10 100 10 - 5.8-20.7 HB2 LYS 24 - HE2 LYS 36 far 10 99 10 - 1.9-26.5 HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 6.9-18.8 HB2 LYS 19 - HE2 LYS 31 far 10 100 10 - 5.2-25.0 HB2 LYS 31 - HE3 LYS 19 far 10 99 10 - 7.1-27.9 HB2 LYS 24 - HE3 LYS 31 far 10 98 10 - 6.7-18.7 HB2 LYS 26 - HE2 LYS 24 far 10 98 10 - 4.0-13.1 HB2 ARG 23 - HE2 LYS 31 far 10 98 10 - 7.1-18.8 HB2 LYS 19 - HE3 LYS 31 far 10 98 10 - 5.9-25.9 HB2 LYS 19 - HE2 LYS 26 far 10 98 10 - 6.8-24.3 HB2 LYS 31 - HE2 LYS 24 far 10 98 10 - 4.9-20.2 HB2 LYS 26 - HE3 LYS 36 poor 9 100 40 22 4.9-22.7 10748/10721=3 HB2 LYS 24 - HE3 LYS 26 poor 9 98 35 25 5.3-12.3 11151/9587=10, 834/3.6=2 HB2 LEU 43 - HE3 LYS 36 far 8 83 10 - 6.8-18.1 HB2 LYS 26 - HE2 LYS 36 poor 8 99 35 22 3.3-22.3 10748/10721=3 HB2 LYS 24 - HE3 LYS 36 far 5 100 5 - 3.6-27.4 HB2 LYS 31 - HE2 LYS 19 far 5 99 5 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 5 98 5 - 7.5-16.1 HB2 LYS 19 - HE3 LYS 26 far 5 98 5 - 8.0-24.1 HB2 LEU 43 - HE2 LYS 31 far 4 82 5 - 7.6-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.2-24.9 HB2 LEU 43 - HE2 LYS 36 far 0 81 0 - 8.5-17.0 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 93 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.9-16.3 HB2 LEU 43 - HE3 LYS 31 far 0 78 0 - 9.3-24.7 HG13 ILE 129 - HE3 LYS 86 far 0 100 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 92 0 - 9.7-15.5 HB2 LEU 43 - HE3 LYS 24 far 0 83 0 - 9.7-31.8 HG LEU 100 - HE3 LYS 31 far 0 54 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 93 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 570 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 5.29 A): 27 out of 75 assignments used, quality = 1.00: * HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.3-4.7 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.1 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.0-5.4 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 3.3-5.0 4.8=100 HB2 LYS 86 + HE3 LYS 86 OK 84 84 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 36 OK 79 99 80 99 3.4-7.6 10833/3.0=25...(57) HB ILE 32 + HE3 LYS 36 OK 74 100 75 99 2.0-7.9 2.1/10721=28...(56) HB ILE 32 + HE3 LYS 26 OK 54 98 60 92 4.6-19.4 2.1/10721=14, ~10840=12...(59) HB ILE 32 + HE2 LYS 31 OK 50 99 55 91 4.3-9.5 3.2/10804=12, 10825=12...(60) HB ILE 32 + HE2 LYS 26 OK 50 98 55 93 4.8-19.8 2.1/10766=14, ~10721=12...(60) HB3 LYS 31 + HE2 LYS 26 OK 46 98 50 95 2.2-19.2 629/3.6=9, 640/3.6=6...(132) HB3 LYS 31 + HE3 LYS 26 OK 42 98 45 94 3.3-19.0 629/3.6=9, 640/3.6=6...(118) HB ILE 32 + HE3 LYS 31 OK 40 98 45 92 4.6-10.3 10825/1.8=10...(60) HB3 LYS 19 + HE3 LYS 24 OK 40 100 45 89 3.9-16.9 2634=4, 2634/1.8=4...(115) HB2 LYS 36 + HE3 LYS 26 OK 33 98 45 76 2.6-28.9 1.8/1003=11, ~1004=9...(27) HB3 LYS 19 + HE2 LYS 24 OK 31 98 35 89 2.6-16.3 2634=5, 3.0/11770=4...(117) HB3 ARG 23 + HE2 LYS 26 OK 28 95 50 60 3.0-13.9 3.0/11618=10, ~11618=6...(39) HB3 ARG 23 + HE3 LYS 26 OK 28 95 50 59 2.6-15.2 ~11618=8, 3.0/11618=7...(41) HB2 LYS 36 + HE2 LYS 26 OK 27 98 35 80 2.4-29.4 1.8/1004=10, ~1004=9...(35) HB3 LYS 26 + HE2 LYS 31 OK 26 99 30 86 3.9-12.8 824/3.7=6, 835/3.7=5...(92) HB3 LYS 26 + HE3 LYS 31 OK 25 97 30 86 4.4-13.0 824/3.7=6, 835/3.7=5...(90) HB3 LYS 24 - HE2 LYS 19 poor 20 100 20 - 3.5-17.2 HB3 LYS 24 - HE3 LYS 26 poor 20 98 20 - 4.8-12.9 HB3 LYS 24 - HE3 LYS 19 poor 15 100 25 60 4.6-17.1 2.9/1025=2, 815/3.8=1...(30) HB3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.9-14.1 HB2 LYS 36 - HE2 LYS 31 far 15 100 15 - 6.2-12.8 HB3 LYS 31 - HE2 LYS 36 far 15 99 15 - 5.3-14.3 HB3 LYS 26 - HE2 LYS 36 far 15 99 15 - 4.2-22.7 HB2 LYS 36 - HE3 LYS 31 far 15 98 15 - 5.6-14.2 HB3 ARG 23 - HE3 LYS 36 far 10 98 10 - 4.4-24.0 HB3 ARG 23 - HE2 LYS 36 far 10 97 10 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 31 far 9 95 10 - 5.4-20.0 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 24 - HE2 LYS 36 far 5 99 5 - 3.5-25.9 HB3 LYS 31 - HE3 LYS 24 far 5 100 5 - 6.7-20.0 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB3 LYS 26 - HE3 LYS 24 far 5 100 5 - 6.0-13.6 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.5-26.1 HB3 LYS 31 - HE2 LYS 24 far 5 98 5 - 6.0-19.3 HB3 LYS 19 - HE2 LYS 26 far 5 98 5 - 6.1-23.7 HB2 LYS 36 - HE2 LYS 24 far 5 98 5 - 6.1-29.9 HB3 LYS 26 - HE2 LYS 24 far 5 97 5 - 5.2-13.2 HB3 ARG 23 - HE2 LYS 31 far 5 97 5 - 6.3-18.9 HB3 LYS 26 - HE3 LYS 36 lone 4 100 25 17 5.3-23.0 10720/10721=3, 10751/10813=2 HB2 CYS 79 - HE3 LYS 86 far 4 70 5 - 6.5-10.0 HB3 LEU 98 - HE3 LYS 24 far 3 60 5 - 6.5-36.2 HB3 LYS 24 - HE2 LYS 26 lone 3 98 30 10 5.5-13.1 985/9587=1 HB3 LEU 98 - HE2 LYS 24 far 3 56 5 - 6.6-34.7 HB3 ARG 23 - HE3 LYS 24 far 0 98 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 95 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 98 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 100 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 93 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 100 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 76 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 83 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 100 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 76 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 571 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 3.99 A): 10 out of 125 assignments used, quality = 1.00: * HG2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=99, 3.0/1064=23...(24) HG2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.6-4.2 4.0=99, 3.0/1064=23...(24) HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-3.9 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.1-4.1 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.4-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 91 91 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.3-3.2 3.8=100 QB ALA 28 - HE3 LYS 31 poor 20 98 20 - 4.1-9.8 HG2 LYS 19 - HE3 LYS 24 poor 18 92 20 - 3.9-19.3 HG2 LYS 19 - HE2 LYS 24 poor 18 88 20 - 2.9-18.6 QB ALA 12 - HE3 LYS 19 poor 16 82 20 - 4.2-15.1 QB ALA 29 - HE2 LYS 31 far 15 100 15 - 4.3-10.0 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 2.1-13.2 QB ALA 29 - HE2 LYS 36 far 15 99 15 - 5.2-11.0 QB ALA 29 - HE3 LYS 26 far 15 98 15 - 4.0-12.1 QB ALA 29 - HE2 LYS 26 far 15 98 15 - 4.1-12.1 HG3 LYS 31 - HE3 LYS 36 far 14 97 15 - 4.5-14.3 HG3 LYS 31 - HE2 LYS 36 far 14 95 15 - 4.3-14.3 HG3 LYS 31 - HE3 LYS 26 far 14 93 15 - 4.8-18.3 HG2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.6-18.0 HG2 LYS 24 - HE2 LYS 19 far 10 100 10 - 4.3-16.8 QB ALA 28 - HE3 LYS 24 far 10 100 10 - 5.3-13.7 QB ALA 15 - HE2 LYS 31 far 10 100 10 - 3.9-23.1 HG3 LYS 26 - HE2 LYS 31 far 10 100 10 - 5.0-15.0 QB ALA 29 - HE3 LYS 31 far 10 98 10 - 4.8-10.3 HG2 LYS 36 - HE2 LYS 26 far 10 98 10 - 5.0-27.0 HG2 LYS 36 - HE3 LYS 26 far 10 98 10 - 5.1-26.6 QB ALA 28 - HE2 LYS 24 far 10 98 10 - 4.5-13.8 HG3 LYS 31 - HE2 LYS 26 far 9 93 10 - 4.3-18.5 QB ALA 16 - HE3 LYS 19 far 7 70 10 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 7 70 10 - 4.4-10.6 QB ALA 15 - HE3 LYS 24 far 5 100 5 - 2.0-19.1 HG3 LYS 26 - HE3 LYS 36 far 5 100 5 - 4.4-24.9 HB2 LEU 42 - HE3 LYS 36 far 5 100 5 - 5.0-13.1 QB ALA 29 - HE3 LYS 36 far 5 100 5 - 5.3-11.4 HG3 LYS 26 - HE3 LYS 24 far 5 100 5 - 5.5-12.7 HG2 LYS 36 - HE2 LYS 31 far 5 100 5 - 5.3-13.7 HG2 LYS 24 - HE2 LYS 36 far 5 99 5 - 4.2-26.3 HG3 LYS 95 - HE3 LYS 24 far 5 99 5 - 4.2-36.6 HG3 LYS 26 - HE2 LYS 36 far 5 99 5 - 4.6-24.5 HG2 LYS 95 - HE3 LYS 24 far 5 99 5 - 4.3-36.3 QB ALA 15 - HE2 LYS 24 far 5 98 5 - 2.0-19.1 HG2 LYS 36 - HE3 LYS 31 far 5 98 5 - 5.1-14.9 HG2 LYS 24 - HE3 LYS 26 far 5 98 5 - 5.4-12.1 QB ALA 110 - HE3 LYS 26 far 5 98 5 - 4.0-28.9 HG3 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.0-12.3 QB ALA 15 - HE3 LYS 31 far 5 98 5 - 4.6-22.3 QB ALA 110 - HE2 LYS 26 far 5 98 5 - 4.9-30.1 QB ALA 28 - HE3 LYS 26 far 5 98 5 - 5.4-9.7 QB ALA 109 - HE3 LYS 19 far 5 97 5 - 4.7-41.8 QB ALA 109 - HE2 LYS 19 far 5 97 5 - 5.1-43.2 HG3 LYS 95 - HE2 LYS 24 far 5 97 5 - 5.2-35.1 HG3 LYS 31 - HE3 LYS 24 far 5 97 5 - 5.2-18.7 QB ALA 109 - HE3 LYS 26 far 5 95 5 - 5.3-26.1 HG3 LYS 31 - HE2 LYS 24 far 5 93 5 - 4.1-18.0 QB ALA 28 - HE2 LYS 31 lone 5 99 25 18 4.7-10.1 ~10771=12, 6334/7.1=3 QB ALA 12 - HE3 LYS 24 far 4 83 5 - 5.0-19.7 QB ALA 16 - HE3 LYS 24 far 4 71 5 - 4.4-18.8 QB ALA 16 - HE2 LYS 24 far 3 67 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 3 67 5 - 5.0-24.1 QB ALA 12 - HE2 LYS 19 lone 0 82 25 1 4.2-15.0 QB ALA 16 - HE3 LYS 36 far 0 71 0 - 5.5-25.6 QB ALA 29 - HE2 LYS 24 far 0 98 0 - 5.6-13.5 HG2 LYS 24 - HE3 LYS 36 far 0 100 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 96 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 99 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 70 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 97 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 97 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 82 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.0-12.2 QB ALA 12 - HE2 LYS 24 far 0 78 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 100 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 100 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 96 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 97 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 88 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 99 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 95 0 - 6.6-27.0 HG3 LYS 31 - HE2 LYS 19 far 0 96 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 69 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 99 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 97 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 100 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 99 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 78 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 99 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 91 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 99 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 100 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 95 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 99 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 100 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 100 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 92 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 88 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 98 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 98 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 98 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 98 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 95 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 100 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 100 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 98 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 97 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 98 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 83 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 81 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 67 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 67 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 98 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 572 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 4.53 A): 18 out of 68 assignments used, quality = 1.00: * HG3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-4.2 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.3-4.1 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-3.9 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.1-4.2 3.7=100 HG2 LYS 26 + HE2 LYS 26 OK 91 91 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 91 91 100 100 2.0-4.0 3.6=100 HG3 LYS 36 + HE3 LYS 36 OK 81 81 100 100 2.2-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 79 79 100 100 2.0-4.1 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.0-2.9 3.7=100 HG3 LYS 86 + HE3 LYS 86 OK 60 60 100 100 3.3-3.7 3.7=100 HG13 ILE 32 + HE2 LYS 36 OK 52 98 55 96 2.8-9.0 3.2/10721=19...(64) HG13 ILE 32 + HE3 LYS 36 OK 48 99 50 96 3.2-9.5 3.2/10721=21...(64) HG13 ILE 32 + HE3 LYS 26 OK 44 96 55 82 2.0-17.3 3.2/10721=11, ~10767=10...(41) HG13 ILE 32 + HE2 LYS 31 OK 43 98 55 80 2.3-9.1 10757/6.5=12...(26) HG13 ILE 32 + HE2 LYS 26 OK 36 96 45 83 2.1-17.7 2.1/9008=11...(39) HG13 ILE 32 + HE3 LYS 31 OK 31 96 40 82 2.0-9.6 10757/6.5=12...(44) HG3 LYS 19 - HE2 LYS 24 poor 20 98 20 - 3.4-18.5 HG2 LYS 31 - HE3 LYS 26 poor 20 98 20 - 5.3-19.4 HG2 LYS 26 - HE3 LYS 36 poor 19 95 20 - 3.8-24.9 HG3 LYS 36 - HE2 LYS 26 poor 15 76 30 68 4.5-27.4 3.0/1004=6, ~1004=5...(22) HG3 LYS 19 - HE3 LYS 24 far 15 100 15 - 4.8-19.1 HG3 LYS 36 - HE3 LYS 26 poor 15 76 30 65 4.4-26.9 3.0/1003=7, ~1004=5...(19) HG2 LYS 31 - HE2 LYS 36 far 15 99 15 - 4.9-14.4 HG2 LYS 26 - HE2 LYS 31 far 14 94 15 - 5.4-15.0 HG3 LYS 24 - HE2 LYS 19 poor 14 100 25 56 3.7-17.8 823/5.1=3, 822/6.4=2...(8) HG3 LYS 24 - HE3 LYS 19 poor 14 100 25 55 4.5-18.1 823/5.1=3, 822/6.4=2...(9) HG2 LYS 31 - HE3 LYS 36 far 10 100 10 - 5.4-14.2 HG2 LYS 31 - HE2 LYS 26 far 10 98 10 - 3.8-19.7 QB ALA 34 - HE2 LYS 36 far 10 64 15 - 5.1-8.4 HG3 LYS 24 - HE3 LYS 36 far 5 100 5 - 4.8-25.5 HG2 LYS 31 - HE3 LYS 24 far 5 100 5 - 4.0-19.0 HG3 LYS 24 - HE2 LYS 36 far 5 99 5 - 3.2-24.6 HG2 LYS 31 - HE2 LYS 24 far 5 98 5 - 3.3-18.4 HG2 LYS 26 - HE3 LYS 24 far 5 95 5 - 6.0-13.5 HG2 LYS 26 - HE2 LYS 24 far 5 91 5 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 31 far 5 91 5 - 6.0-14.4 HG2 LYS 26 - HE2 LYS 36 lone 4 93 30 14 4.1-24.5 908/10766=1 HG3 LYS 36 - HE2 LYS 31 far 4 80 5 - 4.4-14.3 HG3 LYS 36 - HE3 LYS 31 far 4 76 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 4 76 5 - 4.6-28.4 QB ALA 34 - HE3 LYS 36 far 3 65 5 - 5.3-9.2 QB ALA 34 - HE2 LYS 26 far 3 61 5 - 5.7-20.7 QB ALA 34 - HE3 LYS 24 far 0 65 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 61 0 - 6.1-21.1 HG3 LYS 36 - HE3 LYS 24 far 0 81 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 98 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 61 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.7-12.9 QB ALA 34 - HE2 LYS 31 far 0 64 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 61 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 96 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 98 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 98 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 90 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 99 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 80 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 90 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 573 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 3.48 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 19 95 20 - 2.5-24.7 HD3 LYS 19 - HE2 LYS 24 poor 18 92 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 100 15 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 far 15 99 15 - 2.9-24.6 HD3 LYS 19 - HE3 LYS 24 far 14 96 15 - 2.2-19.0 HD2 LYS 19 - HE2 LYS 24 far 14 92 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD3 LYS 24 - HE2 LYS 19 far 10 100 10 - 4.2-18.5 HD2 LYS 26 - HE2 LYS 36 far 10 99 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 97 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 97 10 - 4.3-13.8 HD2 LYS 19 - HE3 LYS 24 far 10 96 10 - 2.9-18.4 HD2 LYS 36 - HE2 LYS 26 far 9 95 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 9 95 10 - 3.6-25.8 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 36 far 5 99 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 99 5 - 4.6-13.1 HD3 LYS 31 - HE3 LYS 26 far 5 98 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 98 5 - 4.6-18.1 HD3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 98 5 - 4.9-15.3 HD3 LYS 26 - HE3 LYS 31 far 5 98 5 - 4.6-14.9 HD2 LYS 36 - HE3 LYS 31 far 5 95 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 95 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 95 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 98 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 100 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 100 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 98 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 95 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 98 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 98 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 87 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 95 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 98 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 96 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 85 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 89 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 96 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 98 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 89 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 95 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 92 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 94 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 92 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 98 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 94 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 94 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 86 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 96 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 84 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 87 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 95 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 83 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 574 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 3.48 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 19 94 20 - 2.5-24.7 HD3 LYS 19 - HE2 LYS 24 poor 19 93 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 100 15 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 far 15 99 15 - 2.9-24.6 HD3 LYS 19 - HE3 LYS 24 far 14 97 15 - 2.2-19.0 HD2 LYS 19 - HE2 LYS 24 far 14 93 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD3 LYS 24 - HE2 LYS 19 far 10 100 10 - 4.2-18.5 HD2 LYS 26 - HE2 LYS 36 far 10 99 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 97 10 - 3.1-14.2 HD2 LYS 19 - HE3 LYS 24 far 10 97 10 - 2.9-18.4 HD3 LYS 36 - HE2 LYS 31 far 10 97 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 26 far 9 94 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 9 94 10 - 3.6-25.8 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 36 far 5 99 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 99 5 - 4.6-13.1 HD3 LYS 31 - HE3 LYS 26 far 5 98 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 98 5 - 4.6-18.1 HD3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 98 5 - 4.9-15.3 HD3 LYS 26 - HE3 LYS 31 far 5 98 5 - 4.6-14.9 HD2 LYS 36 - HE3 LYS 31 far 5 94 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 94 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 94 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 98 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 100 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 100 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 94 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 98 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 98 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 96 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 99 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 98 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 89 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 94 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 75 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 97 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 97 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 75 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 87 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 87 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 95 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 97 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 87 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 96 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 93 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 95 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 93 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 97 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 95 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 95 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 88 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 95 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 83 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 85 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 96 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 84 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 575 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE3 LYS 24 + HE3 LYS 24 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE2 LYS 24 + HE2 LYS 24 OK 98 98 - 100 HE2 LYS 31 + HE2 LYS 31 OK 97 97 - 100 HE3 LYS 19 + HE3 LYS 19 OK 97 97 - 100 HE2 LYS 26 + HE2 LYS 26 OK 92 92 - 100 HE3 LYS 26 + HE3 LYS 26 OK 92 92 - 100 HE3 LYS 31 + HE3 LYS 31 OK 92 92 - 100 Reference assignment not found: HE2 LYS 24 - HE3 LYS 24 Peak 576 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 97 97 - 100 HE2 LYS 26 + HE2 LYS 26 OK 97 97 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE2 LYS 24 + HE2 LYS 24 OK 97 97 - 100 Peak 578 from cnoeabs.peaks (8.10, 4.29, 61.54 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * H THR 25 + HA THR 25 OK 100 100 100 100 2.3-2.9 3.0=100 H GLU 91 - HA SER 74 far 0 74 0 - 7.8-9.1 H ALA 109 - HA THR 25 far 0 83 0 - 8.3-34.0 H ALA 108 - HA THR 25 far 0 78 0 - 9.0-33.1 Violated in 0 structures by 0.00 A. Peak 579 from cnoeabs.peaks (4.29, 4.29, 61.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA THR 25 + HA THR 25 OK 100 100 - 100 HA SER 74 + HA SER 74 OK 98 98 - 100 Peak 580 from cnoeabs.peaks (4.20, 4.29, 61.54 ppm; 4.35 A): 1 out of 13 assignments used, quality = 1.00: * HB THR 25 + HA THR 25 OK 100 100 100 100 2.4-2.9 3.0=100 HA ALA 29 - HA THR 25 far 10 65 15 - 2.9-11.4 HA SER 51 - HA THR 25 far 5 92 5 - 5.0-29.5 HA GLU 30 - HA SER 74 far 3 69 5 - 3.8-22.9 HA VAL 105 - HA THR 25 far 0 97 0 - 6.3-31.7 HA GLU 30 - HA THR 25 far 0 73 0 - 6.7-12.7 HA ALA 29 - HA SER 74 far 0 61 0 - 7.0-20.9 HB3 SER 38 - HA THR 25 far 0 81 0 - 7.1-27.2 HB THR 18 - HA THR 25 far 0 99 0 - 7.1-20.0 HA ALA 34 - HA SER 74 far 0 71 0 - 8.4-15.6 HA ALA 34 - HA THR 25 far 0 76 0 - 8.7-21.5 HA LEU 53 - HA THR 25 far 0 76 0 - 8.9-24.9 HA HIS 67 - HA SER 74 far 0 86 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 581 from cnoeabs.peaks (1.19, 4.29, 61.54 ppm; 2.81 A): 1 out of 7 assignments used, quality = 0.96: * QG2 THR 25 + HA THR 25 OK 96 100 100 96 2.1-3.0 3.2=67, 6242/3.0=43...(9) QG2 VAL 77 - HA SER 74 poor 17 96 30 60 3.5-6.0 2.1/9592=32, 11195=22...(9) HG12 ILE 32 - HA THR 25 far 7 71 10 - 2.3-14.1 QB ALA 41 - HA THR 25 far 4 89 5 - 3.3-21.4 QG2 THR 18 - HA THR 25 far 0 90 0 - 5.6-16.2 HG12 ILE 32 - HA SER 74 far 0 66 0 - 6.4-19.2 HG12 ILE 80 - HA SER 74 far 0 69 0 - 7.6-10.1 Violated in 5 structures by 0.04 A. Peak 582 from cnoeabs.peaks (8.37, 4.29, 61.54 ppm; 2.60 A): 1 out of 9 assignments used, quality = 0.89: * H LYS 26 + HA THR 25 OK 89 100 100 89 2.2-3.6 6246=56, 6245/3.0=33...(12) H GLN 27 - HA THR 25 far 9 87 10 - 3.7-6.0 H LYS 24 - HA THR 25 far 0 100 0 - 4.6-5.5 H THR 65 - HA THR 25 far 0 97 0 - 5.1-21.6 H ASP 35 - HA THR 25 far 0 90 0 - 5.4-21.8 H LYS 19 - HA THR 25 far 0 81 0 - 7.4-18.6 H GLY 14 - HA THR 25 far 0 100 0 - 8.3-25.7 H ASP 35 - HA SER 74 far 0 86 0 - 8.8-18.1 H HIS 3 - HA THR 25 far 0 98 0 - 9.7-51.3 Violated in 14 structures by 0.38 A. Peak 583 from cnoeabs.peaks (8.10, 4.20, 69.83 ppm; 3.14 A): 1 out of 6 assignments used, quality = 1.00: * H THR 25 + HB THR 25 OK 100 100 100 100 2.2-3.9 6241=100, 6242/2.1=68...(10) H THR 25 - HB THR 18 far 0 88 0 - 5.4-17.8 H ALA 109 - HB THR 25 far 0 83 0 - 6.1-32.3 H ALA 108 - HB THR 25 far 0 78 0 - 7.1-31.5 H ALA 109 - HB THR 18 far 0 67 0 - 9.2-51.3 H ALA 108 - HB THR 18 far 0 63 0 - 10.0-50.4 Violated in 15 structures by 0.37 A. Peak 584 from cnoeabs.peaks (4.29, 4.20, 69.83 ppm; 4.35 A): 4 out of 34 assignments used, quality = 1.00: * HA THR 25 + HB THR 25 OK 100 100 100 100 2.4-2.9 3.0=100 HA THR 18 + HB THR 18 OK 88 88 100 100 2.9-3.0 3.0=100 HA LYS 26 + HB THR 25 OK 78 78 100 99 3.9-5.5 2.9/6247=84, ~6248=47...(17) HA LYS 19 + HB THR 18 OK 58 58 100 100 4.0-5.1 3.0/6146=78, ~226=37...(20) HA ALA 15 - HB THR 18 poor 17 86 20 - 3.5-10.3 HA ALA 16 - HB THR 18 poor 9 76 50 24 4.8-8.7 6139/6140=15, 3.6/231=5...(4) HA ARG 23 - HB THR 25 poor 9 100 25 36 4.0-9.0 6240/6241=27, 424/6247=5...(4) HA LYS 31 - HB THR 18 far 8 78 10 - 5.3-27.2 HA ALA 21 - HB THR 25 far 5 100 5 - 4.8-13.5 HA GLN 61 - HB THR 25 far 5 97 5 - 1.9-26.7 HA ALA 108 - HB THR 25 far 5 93 5 - 4.7-32.8 HA ALA 21 - HB THR 18 far 4 88 5 - 5.7-9.4 HA LEU 22 - HB THR 25 far 4 76 5 - 5.5-11.5 HA LYS 36 - HB THR 18 far 4 74 5 - 5.6-37.9 HA LYS 19 - HB THR 25 far 4 73 5 - 4.3-18.9 HA ALA 12 - HB THR 18 lone 2 86 40 6 3.6-16.0 2.1/10670=2, ~10686=2 HA ARG 23 - HB THR 18 far 0 87 0 - 5.9-14.4 HA LYS 31 - HB THR 25 far 0 93 0 - 6.1-16.1 HA ALA 110 - HB THR 18 far 0 85 0 - 6.2-55.3 HA TYR 76 - HB THR 18 far 0 65 0 - 6.4-37.0 HA ALA 109 - HB THR 18 far 0 78 0 - 6.5-54.1 HA ALA 15 - HB THR 25 far 0 99 0 - 6.6-24.3 HA ALA 12 - HB THR 25 far 0 99 0 - 6.9-24.9 HA GLN 61 - HB THR 18 far 0 83 0 - 6.9-34.8 HA LEU 22 - HB THR 18 far 0 60 0 - 7.0-12.5 HA THR 25 - HB THR 18 far 0 88 0 - 7.1-20.0 HA LYS 36 - HB THR 25 far 0 90 0 - 7.3-28.2 HA ALA 109 - HB THR 25 far 0 93 0 - 7.7-35.1 HA THR 18 - HB THR 25 far 0 100 0 - 8.0-18.8 HA ALA 110 - HB THR 25 far 0 99 0 - 8.6-36.6 HA2 GLY 75 - HB THR 18 far 0 51 0 - 8.8-36.0 HA ALA 16 - HB THR 25 far 0 92 0 - 8.8-22.8 HA LYS 26 - HB THR 18 far 0 63 0 - 9.0-20.6 HA ALA 108 - HB THR 18 far 0 78 0 - 9.3-51.9 Violated in 0 structures by 0.00 A. Peak 585 from cnoeabs.peaks (4.20, 4.20, 69.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 25 + HB THR 25 OK 100 100 - 100 HB THR 18 + HB THR 18 OK 85 85 - 100 Peak 586 from cnoeabs.peaks (1.19, 4.20, 69.83 ppm; 2.50 A): 2 out of 8 assignments used, quality = 1.00: * QG2 THR 25 + HB THR 25 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 18 + HB THR 18 OK 74 74 100 100 2.1-2.1 2.1=100 HG12 ILE 32 - HB THR 25 far 0 71 0 - 4.3-16.3 QB ALA 41 - HB THR 25 far 0 89 0 - 5.3-22.6 QG2 THR 18 - HB THR 25 far 0 90 0 - 5.4-17.5 QG2 THR 25 - HB THR 18 far 0 88 0 - 6.0-17.6 QB ALA 41 - HB THR 18 far 0 73 0 - 7.9-29.5 HG12 ILE 32 - HB THR 18 far 0 56 0 - 8.7-26.1 Violated in 0 structures by 0.00 A. Peak 587 from cnoeabs.peaks (8.37, 4.20, 69.83 ppm; 3.06 A): 3 out of 13 assignments used, quality = 1.00: * H LYS 26 + HB THR 25 OK 99 100 100 99 1.8-3.9 6247=93, 582/3.0=55...(9) H LYS 19 + HB THR 18 OK 60 65 100 92 2.0-3.2 6146=51, 6144/6140=32...(16) H GLN 27 + HB THR 25 OK 27 87 50 61 3.7-6.8 4.6/6247=25...(9) H LYS 24 - HB THR 25 poor 20 100 20 - 4.0-7.4 H GLY 14 - HB THR 18 far 9 87 10 - 4.4-12.9 H LYS 24 - HB THR 18 far 4 88 5 - 4.1-15.1 H THR 65 - HB THR 25 far 0 97 0 - 4.7-23.8 H LYS 19 - HB THR 25 far 0 81 0 - 5.0-19.7 H ASP 35 - HB THR 25 far 0 90 0 - 7.0-23.3 H GLY 14 - HB THR 25 far 0 100 0 - 7.6-26.6 H LYS 26 - HB THR 18 far 0 88 0 - 8.4-21.6 H HIS 3 - HB THR 25 far 0 98 0 - 8.7-52.4 H ASP 35 - HB THR 18 far 0 74 0 - 9.1-34.6 Violated in 0 structures by 0.00 A. Peak 588 from cnoeabs.peaks (8.10, 1.19, 21.28 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * H THR 25 + QG2 THR 25 OK 100 100 100 100 1.9-3.9 6242=100, 6241/2.1=89...(11) H THR 25 - QG2 THR 18 far 7 70 10 - 5.2-14.4 H ALA 109 - QG2 THR 25 far 4 83 5 - 4.8-27.5 H ALA 108 - QG2 THR 25 far 0 78 0 - 5.9-26.8 H ALA 109 - QG2 THR 18 far 0 51 0 - 9.0-41.9 H ALA 108 - QG2 THR 18 far 0 48 0 - 9.3-41.3 Violated in 0 structures by 0.00 A. Peak 589 from cnoeabs.peaks (4.29, 1.19, 21.28 ppm; 3.35 A): 4 out of 34 assignments used, quality = 1.00: * HA THR 25 + QG2 THR 25 OK 100 100 100 100 2.1-3.0 3.2=100 HA THR 18 + QG2 THR 18 OK 70 70 100 100 2.0-2.9 3.2=100 HA LYS 19 + QG2 THR 18 OK 39 44 100 89 2.8-4.4 3.0/6147=29, ~6146=26...(17) HA LYS 26 + QG2 THR 25 OK 21 78 30 91 2.9-5.6 2.9/6248=51, ~6247=27...(17) HA ARG 23 - QG2 THR 25 far 15 100 15 - 3.2-6.8 HA ALA 15 - QG2 THR 18 poor 14 68 20 - 3.7-10.5 HA ALA 21 - QG2 THR 25 far 5 100 5 - 2.1-11.4 HA ALA 15 - QG2 THR 25 far 5 99 5 - 3.7-20.6 HA ALA 12 - QG2 THR 25 far 5 99 5 - 4.7-20.5 HA GLN 61 - QG2 THR 25 far 5 97 5 - 2.0-22.8 HA LYS 31 - QG2 THR 25 far 5 93 5 - 3.7-12.0 HA ALA 108 - QG2 THR 25 far 5 93 5 - 3.7-27.9 HA LYS 36 - QG2 THR 25 far 5 90 5 - 4.7-22.7 HA LEU 22 - QG2 THR 25 far 4 76 5 - 3.3-9.5 HA LYS 19 - QG2 THR 25 far 4 73 5 - 4.6-15.1 HA LYS 31 - QG2 THR 18 far 3 60 5 - 3.6-23.3 HA ALA 12 - QG2 THR 18 lone 1 68 40 4 3.7-14.2 HA GLN 61 - QG2 THR 18 far 0 65 0 - 5.0-28.0 HA LYS 36 - QG2 THR 18 far 0 58 0 - 5.2-32.6 HA TYR 76 - QG2 THR 18 far 0 50 0 - 5.4-31.7 HA ALA 16 - QG2 THR 18 far 0 59 0 - 5.5-8.6 HA ALA 110 - QG2 THR 18 far 0 68 0 - 5.6-45.3 HA THR 25 - QG2 THR 18 far 0 70 0 - 5.6-16.2 HA ARG 23 - QG2 THR 18 far 0 69 0 - 5.6-11.8 HA LEU 22 - QG2 THR 18 far 0 46 0 - 5.7-9.8 HA ALA 21 - QG2 THR 18 far 0 70 0 - 5.7-7.7 HA ALA 16 - QG2 THR 25 far 0 92 0 - 6.4-18.9 HA ALA 109 - QG2 THR 25 far 0 93 0 - 6.8-29.8 HA ALA 109 - QG2 THR 18 far 0 60 0 - 6.9-44.2 HA THR 18 - QG2 THR 25 far 0 100 0 - 7.1-15.4 HA LYS 26 - QG2 THR 18 far 0 48 0 - 7.1-17.1 HA2 GLY 75 - QG2 THR 18 far 0 39 0 - 8.1-31.6 HA ALA 110 - QG2 THR 25 far 0 99 0 - 8.5-31.3 HA ALA 108 - QG2 THR 18 far 0 60 0 - 8.6-42.6 Violated in 0 structures by 0.00 A. Peak 590 from cnoeabs.peaks (4.20, 1.19, 21.28 ppm; 2.88 A): 2 out of 18 assignments used, quality = 1.00: * HB THR 25 + QG2 THR 25 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 18 + QG2 THR 18 OK 67 67 100 100 2.1-2.1 2.1=100 HA ALA 29 - QG2 THR 25 far 10 65 15 - 1.9-11.4 HA GLU 30 - QG2 THR 25 far 4 73 5 - 4.2-12.2 HB THR 25 - QG2 THR 18 far 0 70 0 - 5.4-17.5 HB3 SER 38 - QG2 THR 18 far 0 50 0 - 5.9-33.1 HA SER 51 - QG2 THR 25 far 0 92 0 - 5.9-24.9 HB THR 18 - QG2 THR 25 far 0 99 0 - 6.0-17.6 HA GLU 30 - QG2 THR 18 far 0 44 0 - 6.1-22.4 HB3 SER 38 - QG2 THR 25 far 0 81 0 - 6.5-23.1 HA ALA 29 - QG2 THR 18 far 0 39 0 - 7.0-20.3 HA VAL 105 - QG2 THR 25 far 0 97 0 - 7.1-26.2 HA SER 51 - QG2 THR 18 far 0 59 0 - 7.2-33.3 HA LEU 53 - QG2 THR 25 far 0 76 0 - 7.6-21.9 HA ALA 34 - QG2 THR 25 far 0 76 0 - 8.0-18.2 HA HIS 67 - QG2 THR 25 far 0 90 0 - 8.4-17.0 HA ALA 34 - QG2 THR 18 far 0 46 0 - 8.7-29.1 HA LEU 53 - QG2 THR 18 far 0 46 0 - 8.7-33.6 Violated in 0 structures by 0.00 A. Peak 591 from cnoeabs.peaks (1.19, 1.19, 21.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 THR 25 + QG2 THR 25 OK 100 100 - 100 QG2 THR 18 + QG2 THR 18 OK 58 58 - 100 Peak 592 from cnoeabs.peaks (8.37, 1.19, 21.28 ppm; 4.62 A): 4 out of 15 assignments used, quality = 1.00: * H LYS 26 + QG2 THR 25 OK 100 100 100 100 2.7-4.1 4.3=100 H LYS 24 + QG2 THR 25 OK 97 100 100 97 3.1-5.6 6228/6242=89, 10740=64...(9) H GLN 27 + QG2 THR 25 OK 80 87 95 97 4.3-6.5 10758=66, 4.6/6248=59...(10) H LYS 19 + QG2 THR 18 OK 50 50 100 100 2.0-3.5 4.3=100 H ASP 35 - QG2 THR 25 far 9 90 10 - 5.4-18.5 H GLY 14 - QG2 THR 25 far 5 100 5 - 4.8-22.2 H THR 65 - QG2 THR 25 far 5 97 5 - 2.6-20.3 H LYS 19 - QG2 THR 25 far 4 81 5 - 4.1-16.1 H LYS 24 - QG2 THR 18 lone 2 70 30 11 4.2-12.2 6212/10689=7, 10740=2 H GLY 14 - QG2 THR 18 lone 0 69 45 1 2.9-12.5 H LYS 26 - QG2 THR 18 far 0 70 0 - 6.6-17.7 H GLN 27 - QG2 THR 18 far 0 55 0 - 7.2-18.8 H THR 65 - QG2 THR 18 far 0 65 0 - 7.9-27.8 H HIS 3 - QG2 THR 25 far 0 98 0 - 8.4-42.6 H ASP 35 - QG2 THR 18 far 0 58 0 - 9.3-30.6 Violated in 0 structures by 0.00 A. Peak 593 from cnoeabs.peaks (8.37, 4.27, 56.60 ppm; 2.98 A): 3 out of 25 assignments used, quality = 1.00: * H LYS 26 + HA LYS 26 OK 100 100 100 100 2.7-2.9 2.9=100 H LYS 19 + HA LYS 19 OK 79 79 100 100 2.8-2.9 3.0=100 H GLN 27 + HA LYS 26 OK 79 87 100 91 3.2-3.6 3.6=58, 6262/3.0=34...(16) H GLY 14 - HA LYS 31 far 4 88 5 - 4.2-26.4 H LYS 19 - HA LYS 31 far 3 66 5 - 2.8-24.3 H LYS 24 - HA LYS 19 lone 3 100 25 11 1.8-12.9 6223/822=2...(4) H LYS 26 - HA LYS 19 far 0 100 0 - 4.6-19.5 H ASP 35 - HA LYS 36 far 0 69 0 - 4.8-5.4 H GLN 27 - HA LYS 36 far 0 66 0 - 5.1-24.1 H GLY 14 - HA LYS 19 far 0 99 0 - 5.4-15.5 H LYS 26 - HA LYS 31 far 0 89 0 - 5.4-14.2 H LYS 19 - HA LYS 36 far 0 60 0 - 5.5-35.2 H LYS 24 - HA LYS 26 far 0 100 0 - 5.7-8.2 H LYS 24 - HA LYS 36 far 0 83 0 - 5.7-29.0 H ASP 35 - HA LYS 26 far 0 90 0 - 5.9-22.0 H GLN 27 - HA LYS 31 far 0 72 0 - 6.0-12.9 H LYS 19 - HA LYS 26 far 0 81 0 - 6.0-19.6 H LYS 24 - HA LYS 31 far 0 89 0 - 6.1-17.9 H ASP 35 - HA LYS 31 far 0 76 0 - 6.3-10.5 H LYS 26 - HA LYS 36 far 0 83 0 - 6.3-26.1 H THR 65 - HA LYS 31 far 0 84 0 - 7.0-20.5 H GLN 27 - HA LYS 19 far 0 85 0 - 7.1-20.8 H HIS 3 - HA LYS 31 far 0 85 0 - 7.3-52.3 H THR 65 - HA LYS 26 far 0 97 0 - 7.4-22.0 H GLY 14 - HA LYS 26 far 0 100 0 - 8.6-25.9 Violated in 0 structures by 0.00 A. Peak 594 from cnoeabs.peaks (4.27, 4.27, 56.60 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LYS 26 + HA LYS 26 OK 100 100 - 100 HA LYS 19 + HA LYS 19 OK 100 100 - 100 HA LYS 31 + HA LYS 31 OK 86 86 - 100 HA LYS 36 + HA LYS 36 OK 81 81 - 100 Peak 595 from cnoeabs.peaks (1.75, 4.27, 56.60 ppm; 3.37 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 31 + HA LYS 31 OK 87 87 100 100 2.3-3.0 3.0=100 HB2 LYS 31 + HA LYS 26 OK 24 99 40 60 2.0-13.6 800=6, 4.6/798=5...(35) HB2 LYS 26 - HA LYS 31 poor 18 89 20 - 4.1-14.6 HB2 ARG 23 - HA LYS 26 far 10 100 10 - 4.3-10.5 HB2 LYS 24 - HA LYS 19 poor 7 99 30 23 2.2-13.5 2.9/822=3, 2.9/241=3...(8) HB2 LYS 19 - HA LYS 26 far 5 100 5 - 3.8-20.4 HB2 LYS 19 - HA LYS 31 far 4 89 5 - 2.8-25.6 HB2 LYS 24 - HA LYS 36 far 4 82 5 - 4.8-29.5 HB2 ARG 23 - HA LYS 36 far 4 81 5 - 3.7-27.0 HB2 LYS 26 - HA LYS 19 far 0 100 0 - 5.3-21.5 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 5.4-8.8 HB2 LYS 31 - HA LYS 19 far 0 98 0 - 5.5-26.5 HB2 ARG 23 - HA LYS 19 far 0 99 0 - 6.0-11.8 HB2 LYS 24 - HA LYS 31 far 0 89 0 - 6.3-18.8 HB2 LYS 26 - HA LYS 36 far 0 83 0 - 6.4-25.4 HB2 ARG 23 - HA LYS 31 far 0 88 0 - 6.6-20.9 HB2 LEU 43 - HA LYS 36 far 0 56 0 - 7.6-16.2 HB2 LYS 31 - HA LYS 36 far 0 80 0 - 8.0-15.2 HB2 LYS 39 - HA LYS 36 far 0 76 0 - 8.0-12.5 HB2 LYS 19 - HA LYS 36 far 0 83 0 - 8.1-34.9 HB2 LYS 39 - HA LYS 19 far 0 95 0 - 8.4-39.1 HG LEU 100 - HA LYS 26 far 0 65 0 - 9.3-21.3 Violated in 0 structures by 0.00 A. Peak 596 from cnoeabs.peaks (1.82, 4.27, 56.60 ppm; 3.42 A): 5 out of 30 assignments used, quality = 1.00: * HB3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 98 98 100 100 2.3-2.7 3.0=100 HB3 LYS 31 + HA LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HA LYS 36 OK 82 82 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HA LYS 26 OK 24 99 40 61 2.7-15.0 4.6/798=6, 1.8/595=5...(23) HB3 LYS 26 - HA LYS 31 poor 18 89 20 - 4.4-15.8 HB ILE 32 - HA LYS 36 poor 18 83 25 86 3.6-10.5 ~10810=22, ~10899=22...(28) HB3 ARG 23 - HA LYS 26 far 10 100 10 - 4.4-10.8 HB3 LYS 24 - HA LYS 19 poor 8 99 30 27 2.0-13.2 2.9/822=3, 2.9/241=3...(11) HB ILE 32 - HA LYS 26 far 5 100 5 - 4.8-15.1 HB3 LYS 31 - HA LYS 19 far 5 98 5 - 3.9-25.7 HB3 LYS 19 - HA LYS 31 far 4 87 5 - 4.5-26.9 HB3 ARG 23 - HA LYS 36 far 4 82 5 - 4.0-26.9 HB3 LYS 24 - HA LYS 36 far 4 81 5 - 4.3-28.6 HB3 LYS 19 - HA LYS 26 far 0 99 0 - 5.0-20.0 HB ILE 32 - HA LYS 31 far 0 89 0 - 5.1-6.1 HB2 LYS 36 - HA LYS 31 far 0 89 0 - 5.5-14.2 HB3 LYS 26 - HA LYS 19 far 0 100 0 - 5.6-21.5 HB3 ARG 23 - HA LYS 19 far 0 99 0 - 5.9-12.8 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 6.1-8.8 HB3 LYS 31 - HA LYS 36 far 0 80 0 - 6.7-16.3 HB3 LYS 26 - HA LYS 36 far 0 83 0 - 6.9-25.7 HB3 ARG 23 - HA LYS 31 far 0 88 0 - 7.1-20.6 HB2 LYS 36 - HA LYS 26 far 0 100 0 - 7.2-24.7 HB3 LYS 24 - HA LYS 31 far 0 88 0 - 7.6-18.1 HB2 LYS 36 - HA LYS 19 far 0 100 0 - 7.9-35.2 HB2 CYS 79 - HA LYS 36 far 0 62 0 - 8.5-17.2 HB2 CYS 79 - HA LYS 19 far 0 81 0 - 8.5-37.3 HB3 LYS 19 - HA LYS 36 far 0 80 0 - 8.6-35.4 HB3 LEU 103 - HA LYS 26 far 0 68 0 - 8.8-25.1 Violated in 0 structures by 0.00 A. Peak 597 from cnoeabs.peaks (1.43, 4.27, 56.60 ppm; 3.96 A): 6 out of 27 assignments used, quality = 1.00: * HG2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.3-4.1 4.0=93, 6252/2.9=66...(31) HG3 LYS 19 + HA LYS 19 OK 95 95 100 100 2.6-4.0 4.2=86, 6152/3.0=45...(40) HG2 LYS 31 + HA LYS 31 OK 85 85 100 100 2.1-4.2 3.8=100 HG13 ILE 32 + HA LYS 31 OK 46 87 55 95 4.2-6.8 919/6342=71, 6333/3.0=21...(20) HG2 LYS 31 + HA LYS 26 OK 24 98 30 81 3.2-15.5 822=8, 3.0/595=5...(39) HG3 LYS 24 + HA LYS 19 OK 23 93 40 62 1.9-15.2 282=6, 1.8/271=4...(19) HG13 ILE 32 - HA LYS 26 poor 15 99 25 59 3.0-13.3 2.1/10753=12...(18) HG2 LYS 26 - HA LYS 31 far 13 89 15 - 4.3-17.0 HG3 LYS 19 - HA LYS 26 far 5 97 5 - 5.3-21.7 HG2 LYS 26 - HA LYS 36 far 4 83 5 - 4.1-27.7 HG3 LYS 19 - HA LYS 31 far 4 83 5 - 4.9-27.9 HG13 ILE 32 - HA LYS 36 far 4 81 5 - 5.2-12.3 HG2 LYS 31 - HA LYS 36 far 4 78 5 - 5.4-17.1 QB ALA 16 - HA LYS 31 far 3 50 5 - 4.5-22.4 HG3 LYS 24 - HA LYS 26 far 0 95 0 - 5.5-9.6 QB ALA 16 - HA LYS 19 far 0 61 0 - 5.7-9.7 HG2 LYS 31 - HA LYS 19 far 0 97 0 - 5.8-24.5 QB ALA 34 - HA LYS 36 far 0 72 0 - 6.0-6.7 HG3 LYS 24 - HA LYS 31 far 0 80 0 - 6.1-18.0 QB ALA 16 - HA LYS 36 far 0 45 0 - 6.4-29.0 HG3 LYS 24 - HA LYS 36 far 0 74 0 - 6.7-27.7 QB ALA 16 - HA LYS 26 far 0 63 0 - 6.9-18.9 QB ALA 34 - HA LYS 26 far 0 93 0 - 6.9-19.1 HG2 LYS 26 - HA LYS 19 far 0 100 0 - 7.6-22.5 QB ALA 34 - HA LYS 31 far 0 79 0 - 7.9-10.1 HG3 LYS 19 - HA LYS 36 far 0 76 0 - 8.1-37.0 HG13 ILE 32 - HA LYS 19 far 0 99 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 598 from cnoeabs.peaks (1.38, 4.27, 56.60 ppm; 3.60 A): 6 out of 49 assignments used, quality = 1.00: * HG3 LYS 26 + HA LYS 26 OK 99 100 100 99 2.6-3.9 4.0=70, 6253/2.9=49...(32) HG2 LYS 19 + HA LYS 19 OK 86 87 100 98 2.3-3.7 4.2=65, 6151/3.0=40...(42) HG3 LYS 31 + HA LYS 31 OK 83 85 100 98 2.0-4.2 3.8=84, 6334/3.0=24...(22) HG2 LYS 36 + HA LYS 36 OK 82 83 100 99 2.3-3.8 4.1=66, 6394/3.0=55...(33) QB ALA 28 + HA LYS 26 OK 25 100 40 62 3.8-7.4 6265/3.6=22, ~10769=19...(10) HG2 LYS 24 + HA LYS 19 OK 22 100 35 63 2.2-15.3 1.8/822=5, 271=4, ~281=2...(47) HG3 LYS 31 - HA LYS 26 poor 18 98 25 75 2.3-14.5 1.8/822=5, 3.0/595=4...(43) HG3 LYS 26 - HA LYS 31 poor 18 89 20 - 4.5-16.0 QB ALA 15 - HA LYS 31 far 13 89 15 - 1.9-22.8 QB ALA 12 - HA LYS 19 far 12 77 15 - 3.4-15.1 HG3 LYS 26 - HA LYS 36 far 8 83 10 - 4.9-27.4 QB ALA 110 - HA LYS 26 far 5 100 5 - 3.4-31.5 HG2 LYS 24 - HA LYS 26 far 5 100 5 - 4.2-10.1 QB ALA 29 - HA LYS 26 far 5 100 5 - 5.0-9.8 QB ALA 15 - HA LYS 19 far 5 100 5 - 3.6-11.2 QB ALA 109 - HA LYS 26 far 5 99 5 - 4.0-28.9 HG2 LYS 19 - HA LYS 31 far 4 74 5 - 4.9-26.6 QB ALA 12 - HA LYS 31 far 3 64 5 - 4.3-22.8 QB ALA 16 - HA LYS 31 far 3 62 5 - 4.5-22.4 QB ALA 108 - HA LYS 26 far 0 100 0 - 5.2-27.3 QB ALA 28 - HA LYS 19 far 0 100 0 - 5.3-19.3 QB ALA 28 - HA LYS 31 far 0 89 0 - 5.5-7.8 HG3 LYS 31 - HA LYS 19 far 0 97 0 - 5.5-23.5 HB2 LEU 42 - HA LYS 36 far 0 82 0 - 5.6-11.0 QB ALA 29 - HA LYS 36 far 0 83 0 - 5.6-13.8 QB ALA 15 - HA LYS 26 far 0 100 0 - 5.6-18.8 QB ALA 16 - HA LYS 19 far 0 75 0 - 5.7-9.7 HG3 LYS 31 - HA LYS 36 far 0 78 0 - 5.9-16.7 QB ALA 29 - HA LYS 31 far 0 89 0 - 6.1-7.3 HG2 LYS 19 - HA LYS 26 far 0 89 0 - 6.3-22.3 QB ALA 16 - HA LYS 36 far 0 56 0 - 6.4-29.0 HG2 LYS 36 - HA LYS 19 far 0 100 0 - 6.5-33.1 HG2 LYS 24 - HA LYS 31 far 0 89 0 - 6.7-19.6 QB ALA 110 - HA LYS 19 far 0 100 0 - 6.8-43.3 QB ALA 16 - HA LYS 26 far 0 76 0 - 6.9-18.9 HG2 LYS 24 - HA LYS 36 far 0 82 0 - 7.0-29.4 QB ALA 12 - HA LYS 26 far 0 78 0 - 7.0-18.9 HG2 LYS 36 - HA LYS 31 far 0 89 0 - 7.1-11.7 HG2 LYS 36 - HA LYS 26 far 0 100 0 - 7.4-22.3 HG2 LYS 19 - HA LYS 36 far 0 67 0 - 7.5-37.3 QB ALA 108 - HA LYS 31 far 0 89 0 - 7.7-25.8 QB ALA 109 - HA LYS 19 far 0 98 0 - 7.8-40.6 QB ALA 29 - HA LYS 19 far 0 100 0 - 8.0-19.1 HG3 LYS 26 - HA LYS 19 far 0 100 0 - 8.0-21.2 QB ALA 28 - HA LYS 36 far 0 82 0 - 8.4-17.1 QB ALA 108 - HA LYS 19 far 0 99 0 - 8.5-39.5 QB ALA 15 - HA LYS 36 far 0 83 0 - 8.6-28.8 QB ALA 12 - HA LYS 36 far 0 58 0 - 9.0-27.7 QB ALA 109 - HA LYS 31 far 0 87 0 - 9.1-27.0 Violated in 0 structures by 0.00 A. Peak 599 from cnoeabs.peaks (1.66, 4.27, 56.60 ppm; 4.60 A): 14 out of 44 assignments used, quality = 1.00: * HD2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.1-5.4 5.0=79, ~6252=41...(32) HD3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.1-5.1 5.0=79, ~6252=41...(32) HD3 LYS 19 + HA LYS 19 OK 95 95 100 99 2.0-4.8 5.2=71, ~6151=33...(43) HD2 LYS 19 + HA LYS 19 OK 95 95 100 99 2.0-4.5 5.2=71, ~6151=33...(42) HD3 LYS 31 + HA LYS 31 OK 89 89 100 100 2.0-4.9 5.2=69, ~6332=32...(38) HD2 LYS 31 + HA LYS 31 OK 89 89 100 100 2.0-5.4 5.2=69, ~6332=32...(38) HD3 LYS 36 + HA LYS 36 OK 77 77 100 100 3.0-5.3 5.3=67, 1031/3.0=40...(33) HD2 LYS 36 + HA LYS 36 OK 77 77 100 100 3.5-5.3 5.3=67, 1031/3.0=40...(34) HD3 LYS 24 + HA LYS 19 OK 35 100 40 89 2.2-14.1 3.0/822=6, 3.0/241=5...(95) HD2 LYS 24 + HA LYS 19 OK 32 100 35 92 3.3-14.3 3.0/822=6, 3.0/241=5...(126) HD3 LYS 26 + HA LYS 31 OK 31 89 35 99 4.2-17.5 6336/3.0=7, ~6335=4...(195) HD3 LYS 31 + HA LYS 26 OK 29 100 30 96 4.2-13.7 2.9/822=6, 3.5/595=6...(165) HD2 LYS 31 + HA LYS 26 OK 28 100 30 95 2.5-14.0 2.9/822=6, 3.5/595=6...(136) HD2 LYS 26 + HA LYS 31 OK 22 89 25 99 4.7-17.2 6335/3.0=6, ~6336=5...(200) HD2 LYS 36 - HA LYS 31 far 13 84 15 - 4.5-11.5 HD3 LYS 26 - HA LYS 36 far 12 82 15 - 5.8-27.5 HD2 LYS 26 - HA LYS 36 far 8 83 10 - 4.9-28.2 HD3 LYS 24 - HA LYS 26 far 5 100 5 - 4.6-10.7 HD2 LYS 24 - HA LYS 26 far 5 100 5 - 6.0-10.6 HD3 LYS 36 - HA LYS 31 far 4 84 5 - 5.5-11.8 HD2 LYS 19 - HA LYS 31 far 4 83 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 4 83 5 - 3.5-28.9 HD2 LYS 24 - HA LYS 36 far 4 83 5 - 6.0-27.3 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 67 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 97 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 83 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 97 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 97 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 78 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 97 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 100 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 83 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 83 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 89 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 100 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 99 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 89 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 66 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 96 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 96 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 85 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 76 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 600 from cnoeabs.peaks (1.66, 4.27, 56.60 ppm; 4.60 A): 14 out of 44 assignments used, quality = 1.00: * HD3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.1-5.1 5.0=79, ~6252=41...(32) HD2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.1-5.4 5.0=79, ~6252=41...(32) HD3 LYS 19 + HA LYS 19 OK 97 97 100 99 2.0-4.8 5.2=71, ~6151=33...(43) HD2 LYS 19 + HA LYS 19 OK 97 97 100 99 2.0-4.5 5.2=71, ~6151=33...(42) HD3 LYS 31 + HA LYS 31 OK 89 89 100 100 2.0-4.9 5.2=69, ~6332=32...(38) HD2 LYS 31 + HA LYS 31 OK 88 89 100 100 2.0-5.4 5.2=69, ~6332=32...(38) HD3 LYS 36 + HA LYS 36 OK 75 75 100 100 3.0-5.3 5.3=67, ~6395=40...(33) HD2 LYS 36 + HA LYS 36 OK 75 75 100 100 3.5-5.3 5.3=67, ~6395=40...(33) HD3 LYS 24 + HA LYS 19 OK 35 100 40 89 2.2-14.1 3.0/822=6, 3.0/241=5...(95) HD2 LYS 24 + HA LYS 19 OK 32 99 35 92 3.3-14.3 3.0/822=6, 3.0/241=5...(126) HD3 LYS 26 + HA LYS 31 OK 31 89 35 99 4.2-17.5 6336/3.0=7, ~6335=4...(195) HD3 LYS 31 + HA LYS 26 OK 29 100 30 96 4.2-13.7 2.9/822=6, 3.5/595=6...(165) HD2 LYS 31 + HA LYS 26 OK 28 100 30 95 2.5-14.0 2.9/822=6, 3.5/595=6...(136) HD2 LYS 26 + HA LYS 31 OK 22 89 25 99 4.7-17.2 6336/3.0=6, ~6336=5...(200) HD3 LYS 26 - HA LYS 36 far 12 83 15 - 5.8-27.5 HD2 LYS 36 - HA LYS 31 far 12 82 15 - 4.5-11.5 HD2 LYS 26 - HA LYS 36 far 8 82 10 - 4.9-28.2 HD3 LYS 24 - HA LYS 26 far 5 100 5 - 4.6-10.7 HD2 LYS 24 - HA LYS 26 far 5 100 5 - 6.0-10.6 HD2 LYS 19 - HA LYS 31 far 4 85 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 4 85 5 - 3.5-28.9 HD2 LYS 24 - HA LYS 36 far 4 82 5 - 6.0-27.3 HD3 LYS 36 - HA LYS 31 far 4 82 5 - 5.5-11.8 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 71 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 98 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 82 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 98 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 96 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 76 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 96 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 100 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 82 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 82 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 89 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 99 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 99 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 89 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 62 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 94 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 94 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 83 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 78 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 603 from cnoeabs.peaks (8.39, 4.27, 56.60 ppm; 2.94 A): 2 out of 23 assignments used, quality = 0.99: * H GLN 27 + HA LYS 26 OK 93 100 100 93 3.2-3.6 6261=56, 6262/3.0=41...(16) H LYS 26 + HA LYS 26 OK 87 87 100 100 2.7-2.9 2.9=100 H LYS 24 - HA LYS 19 poor 17 84 20 - 1.8-12.9 H GLY 14 - HA LYS 31 far 3 64 5 - 4.2-26.4 H LYS 26 - HA LYS 19 far 0 85 0 - 4.6-19.5 H ASP 35 - HA LYS 36 far 0 82 0 - 4.8-5.4 H GLN 27 - HA LYS 36 far 0 83 0 - 5.1-24.1 H GLY 14 - HA LYS 19 far 0 77 0 - 5.4-15.5 H LYS 26 - HA LYS 31 far 0 72 0 - 5.4-14.2 H LYS 24 - HA LYS 26 far 0 85 0 - 5.7-8.2 H LYS 24 - HA LYS 36 far 0 64 0 - 5.7-29.0 H ASP 35 - HA LYS 26 far 0 100 0 - 5.9-22.0 H GLN 27 - HA LYS 31 far 0 89 0 - 6.0-12.9 H LYS 24 - HA LYS 31 far 0 70 0 - 6.1-17.9 H ASP 35 - HA LYS 31 far 0 89 0 - 6.3-10.5 H LYS 26 - HA LYS 36 far 0 66 0 - 6.3-26.1 H THR 65 - HA LYS 31 far 0 86 0 - 7.0-20.5 H GLN 27 - HA LYS 19 far 0 100 0 - 7.1-20.8 H HIS 3 - HA LYS 31 far 0 85 0 - 7.3-52.3 H THR 65 - HA LYS 26 far 0 99 0 - 7.4-22.0 H MET 11 - HA LYS 19 far 0 69 0 - 7.4-20.3 H GLY 14 - HA LYS 26 far 0 78 0 - 8.6-25.9 H SER 74 - HA LYS 31 far 0 70 0 - 9.2-19.7 Violated in 0 structures by 0.00 A. Peak 604 from cnoeabs.peaks (8.37, 1.75, 32.72 ppm; 3.41 A): 4 out of 29 assignments used, quality = 1.00: * H LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-3.6 6250=100, 6251/1.8=83...(35) H LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.1-3.7 6219/491=70, 4.1=59...(21) H GLN 27 + HB2 LYS 26 OK 86 87 100 99 1.7-4.6 6262=80, 6263/1.8=60...(18) H LYS 19 + HB2 LYS 19 OK 79 80 100 99 2.2-3.0 6149=72, 6159/6161=35...(38) H LYS 26 - HB2 LYS 31 poor 19 96 20 - 2.5-13.9 H LYS 24 - HB2 LYS 19 far 15 100 15 - 3.7-14.2 H LYS 26 - HB2 LYS 24 far 15 100 15 - 3.6-7.8 H GLN 27 - HB2 LYS 31 far 12 80 15 - 4.5-12.1 H LYS 24 - HB2 LYS 26 far 10 100 10 - 4.2-9.5 H LYS 19 - HB2 LYS 24 far 8 80 10 - 4.0-14.3 H LYS 19 - HB2 LYS 31 far 7 73 10 - 4.4-25.0 H LYS 26 - HB2 LYS 19 far 5 100 5 - 2.7-20.8 H ASP 35 - HB2 LYS 24 far 4 89 5 - 4.1-25.0 H GLN 27 - HB2 LYS 24 far 4 86 5 - 2.7-10.1 H GLY 14 - HB2 LYS 19 lone 0 99 25 1 3.4-16.3 H LYS 24 - HB2 LYS 31 far 0 96 0 - 5.4-18.0 H GLN 27 - HB2 LYS 19 far 0 86 0 - 5.4-21.7 H ASP 35 - HB2 LYS 26 far 0 90 0 - 5.5-20.9 H LYS 19 - HB2 LYS 26 far 0 81 0 - 5.7-22.0 H HIS 3 - HB2 LYS 31 far 0 92 0 - 6.0-49.5 H GLY 14 - HB2 LYS 24 far 0 99 0 - 6.0-21.5 H THR 65 - HB2 LYS 26 far 0 97 0 - 6.1-20.3 H GLY 14 - HB2 LYS 31 far 0 95 0 - 6.5-24.8 H THR 65 - HB2 LYS 24 far 0 97 0 - 6.8-22.0 H THR 65 - HB2 LYS 31 far 0 91 0 - 7.2-19.5 H ASP 35 - HB2 LYS 31 far 0 83 0 - 7.7-11.9 H HIS 3 - HB2 LYS 26 far 0 98 0 - 9.2-55.6 H LYS 19 - HB2 LYS 39 far 0 44 0 - 9.4-38.8 H LYS 24 - HB2 LYS 39 far 0 64 0 - 9.5-30.0 Violated in 0 structures by 0.00 A. Peak 605 from cnoeabs.peaks (4.27, 1.75, 32.72 ppm; 3.28 A): 6 out of 67 assignments used, quality = 1.00: * HA LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 31 + HB2 LYS 31 OK 93 93 100 100 2.3-3.0 3.0=100 HA GLN 27 + HB2 LYS 26 OK 55 71 85 92 3.8-5.8 3.0/6262=52, ~6263=28...(23) HA THR 25 + HB2 LYS 24 OK 35 77 50 92 3.9-6.1 3.0/6232=42, ~6233=24...(23) HA LYS 26 + HB2 LYS 31 OK 21 96 40 53 2.0-13.6 595=7, 798/4.6=5...(27) HA LYS 31 - HB2 LYS 26 poor 20 99 20 - 4.1-14.6 HA ARG 23 - HB2 LYS 26 poor 18 89 20 - 2.1-11.0 HA LEU 22 - HB2 LYS 24 far 15 100 15 - 3.7-8.4 HA ALA 16 - HB2 LYS 19 far 10 99 10 - 2.8-10.3 HA ALA 15 - HB2 LYS 19 far 9 90 10 - 2.0-12.9 HA ALA 21 - HB2 LYS 24 far 8 80 10 - 3.8-10.8 HA THR 25 - HB2 LYS 26 far 8 78 10 - 4.4-6.5 HA THR 18 - HB2 LYS 19 far 8 75 10 - 4.6-6.1 HA THR 18 - HB2 LYS 24 far 7 75 10 - 3.7-15.2 HA THR 25 - HB2 LYS 31 far 7 71 10 - 2.3-14.6 HA LYS 19 - HB2 LYS 24 lone 5 100 30 17 2.2-13.5 822/2.9=3, 241/2.9=3...(6) HA LYS 26 - HB2 LYS 19 far 5 100 5 - 3.8-20.4 HA LYS 31 - HB2 LYS 19 far 5 98 5 - 2.8-25.6 HA GLN 61 - HB2 LYS 26 far 5 96 5 - 3.8-23.1 HA ALA 16 - HB2 LYS 31 far 5 94 5 - 4.0-25.6 HA ARG 23 - HB2 LYS 19 far 4 88 5 - 4.8-14.4 HA ALA 15 - HB2 LYS 31 far 4 83 5 - 4.3-23.9 HA ARG 23 - HB2 LYS 31 far 4 81 5 - 4.7-18.9 HA THR 25 - HB2 LYS 19 far 4 77 5 - 4.7-19.1 HA GLN 27 - HB2 LYS 24 far 3 70 5 - 4.6-11.1 HA THR 18 - HB2 LYS 31 far 3 69 5 - 4.4-25.6 HA LYS 36 - HB2 LYS 24 far 0 99 0 - 4.8-29.5 HA ARG 23 - HB2 LYS 24 far 0 88 0 - 4.9-6.5 HA ALA 12 - HB2 LYS 19 far 0 90 0 - 5.3-18.5 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 5.3-21.5 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 5.4-8.8 HA ALA 110 - HB2 LYS 19 far 0 91 0 - 5.5-52.4 HA LYS 19 - HB2 LYS 31 far 0 96 0 - 5.5-26.5 HA GLN 27 - HB2 LYS 31 far 0 64 0 - 5.8-10.8 HA ALA 16 - HB2 LYS 24 far 0 98 0 - 5.9-18.1 HA ALA 109 - HB2 LYS 26 far 0 99 0 - 6.0-33.0 HA ALA 21 - HB2 LYS 19 far 0 80 0 - 6.0-8.4 HA ALA 21 - HB2 LYS 39 far 0 44 0 - 6.2-35.5 HA ALA 108 - HB2 LYS 26 far 0 99 0 - 6.2-31.7 HA GLN 61 - HB2 LYS 24 far 0 95 0 - 6.2-24.2 HA LYS 31 - HB2 LYS 24 far 0 98 0 - 6.3-18.8 HA LYS 36 - HB2 LYS 26 far 0 99 0 - 6.4-25.4 HA ALA 108 - HB2 LYS 24 far 0 98 0 - 6.4-38.3 HA ALA 15 - HB2 LYS 24 far 0 89 0 - 6.4-20.1 HA THR 18 - HB2 LYS 39 far 0 41 0 - 6.6-39.0 HA ALA 21 - HB2 LYS 26 far 0 81 0 - 6.9-15.5 HA LEU 22 - HB2 LYS 26 far 0 100 0 - 7.0-13.1 HA ALA 12 - HB2 LYS 31 far 0 83 0 - 7.0-25.5 HA ALA 21 - HB2 LYS 31 far 0 73 0 - 7.4-20.3 HA ALA 110 - HB2 LYS 26 far 0 92 0 - 7.5-34.3 HA GLN 61 - HB2 LYS 31 far 0 89 0 - 7.7-22.8 HA LEU 22 - HB2 LYS 19 far 0 100 0 - 7.8-10.4 HA ALA 12 - HB2 LYS 24 far 0 89 0 - 7.8-22.2 HA GLN 27 - HB2 LYS 19 far 0 70 0 - 7.8-21.0 HA ALA 15 - HB2 LYS 26 far 0 90 0 - 7.9-25.3 HA LYS 36 - HB2 LYS 31 far 0 94 0 - 8.0-15.2 HA LYS 36 - HB2 LYS 39 far 0 62 0 - 8.0-12.5 HA LYS 36 - HB2 LYS 19 far 0 99 0 - 8.1-34.9 HA THR 18 - HB2 LYS 26 far 0 76 0 - 8.2-20.4 HA ALA 109 - HB2 LYS 24 far 0 98 0 - 8.3-40.7 HA LYS 19 - HB2 LYS 39 far 0 63 0 - 8.4-39.1 HA LEU 22 - HB2 LYS 31 far 0 96 0 - 8.7-20.5 HA ALA 108 - HB2 LYS 19 far 0 98 0 - 9.0-49.4 HA ALA 109 - HB2 LYS 19 far 0 98 0 - 9.2-51.5 HA LEU 22 - HB2 LYS 39 far 0 64 0 - 9.9-31.8 HA SER 74 - HB2 LYS 31 far 0 71 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 606 from cnoeabs.peaks (1.75, 1.75, 32.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 HB2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 94 94 - 100 HB2 LYS 39 + HB2 LYS 39 OK 58 58 - 100 Peak 607 from cnoeabs.peaks (1.82, 1.75, 32.72 ppm; 2.50 A): 4 out of 33 assignments used, quality = 1.00: * HB3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 31 + HB2 LYS 31 OK 94 94 100 100 1.8-1.8 1.8=100 HB3 ARG 23 - HB2 LYS 26 far 15 100 15 - 2.2-12.8 HB3 LYS 19 - HB2 LYS 24 far 15 98 15 - 1.9-15.0 HB3 LYS 31 - HB2 LYS 26 poor 14 99 35 40 1.9-14.9 617=3, 4.6/6343=3...(26) HB3 LYS 26 - HB2 LYS 31 poor 9 96 25 38 2.0-14.1 6332/6331=3, 3.0/639=2...(11) HB3 LYS 26 - HB2 LYS 19 far 5 100 5 - 3.6-22.7 HB2 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.3-29.5 HB3 LYS 31 - HB2 LYS 19 far 5 99 5 - 1.9-25.4 HB3 LYS 24 - HB2 LYS 19 far 0 99 0 - 4.0-14.4 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 4.3-15.5 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 4.5-22.1 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 4.7-10.3 HB3 LYS 19 - HB2 LYS 31 far 0 94 0 - 4.8-27.2 HB3 LYS 31 - HB2 LYS 24 far 0 98 0 - 4.9-18.1 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 5.0-25.1 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 5.1-20.1 HB3 ARG 23 - HB2 LYS 24 far 0 99 0 - 5.2-7.4 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.2-10.9 HB3 ARG 23 - HB2 LYS 31 far 0 95 0 - 5.4-20.6 HB ILE 32 - HB2 LYS 31 far 0 96 0 - 5.5-7.0 HB2 CYS 79 - HB2 LYS 39 far 0 46 0 - 5.7-8.9 HB3 ARG 23 - HB2 LYS 19 far 0 99 0 - 6.1-14.6 HB3 LYS 24 - HB2 LYS 31 far 0 95 0 - 6.1-18.4 HB2 LYS 36 - HB2 LYS 31 far 0 96 0 - 6.2-14.4 HB3 LEU 103 - HB2 LYS 26 far 0 68 0 - 7.8-23.4 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 8.3-25.2 HB3 ARG 135 - HB2 LYS 39 far 0 64 0 - 8.4-15.3 HB2 LEU 100 - HB2 LYS 26 far 0 100 0 - 8.8-21.4 HB2 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.5-34.1 HB2 CYS 79 - HB2 LYS 19 far 0 82 0 - 9.5-37.6 Violated in 0 structures by 0.00 A. Peak 608 from cnoeabs.peaks (1.43, 1.75, 32.72 ppm; 3.53 A): 6 out of 33 assignments used, quality = 1.00: * HG2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 94 94 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 31 OK 25 96 30 88 1.9-15.6 628=9, 629/1.8=7...(69) HG2 LYS 31 + HB2 LYS 26 OK 21 98 25 88 3.5-15.2 823=6, 619/1.8=4...(85) HG13 ILE 32 - HB2 LYS 26 poor 20 99 35 57 2.7-13.3 919/6343=10, 6264/6262=8...(21) HG13 ILE 32 - HB2 LYS 31 poor 18 94 25 78 4.2-6.6 919/4.6=35, 6333/6331=16...(21) HG3 LYS 24 - HB2 LYS 19 poor 15 94 25 65 3.6-16.4 283=4, 284/1.8=3...(24) HG2 LYS 31 - HB2 LYS 19 far 10 97 10 - 3.6-24.3 QB ALA 16 - HB2 LYS 19 far 9 62 15 - 4.3-10.2 HG2 LYS 31 - HB2 LYS 24 far 5 97 5 - 4.1-17.7 HG3 LYS 19 - HB2 LYS 24 far 5 96 5 - 2.7-16.0 HG3 LYS 24 - HB2 LYS 26 far 5 95 5 - 2.9-11.4 HG3 LYS 19 - HB2 LYS 31 far 5 90 5 - 4.6-28.5 QB ALA 16 - HB2 LYS 31 far 3 56 5 - 3.9-22.2 HG2 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.2-11.5 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 5.6-18.1 HG3 LYS 19 - HB2 LYS 26 far 0 97 0 - 6.0-24.0 QB ALA 34 - HB2 LYS 24 far 0 92 0 - 6.0-20.9 HG2 LYS 26 - HB2 LYS 19 far 0 100 0 - 6.0-23.9 QB ALA 34 - HB2 LYS 39 far 0 54 0 - 6.4-12.3 HG13 ILE 32 - HB2 LYS 19 far 0 99 0 - 6.7-23.1 HG3 LYS 24 - HB2 LYS 31 far 0 88 0 - 6.7-18.1 QB ALA 16 - HB2 LYS 24 far 0 62 0 - 6.8-16.1 QB ALA 34 - HB2 LYS 26 far 0 93 0 - 7.2-17.5 QB ALA 16 - HB2 LYS 26 far 0 63 0 - 7.8-20.6 QB ALA 16 - HB2 LYS 39 far 0 33 0 - 8.9-31.7 QB ALA 34 - HB2 LYS 31 far 0 86 0 - 8.9-11.3 QB ALA 34 - HB2 LYS 19 far 0 92 0 - 9.1-28.2 HG2 LYS 86 - HB2 LYS 39 far 0 57 0 - 9.7-16.0 HG3 LYS 24 - HB2 LYS 39 far 0 56 0 - 9.7-30.3 HG3 LYS 19 - HB2 LYS 39 far 0 58 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 609 from cnoeabs.peaks (1.38, 1.75, 32.72 ppm; 3.45 A): 5 out of 58 assignments used, quality = 1.00: * HG3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HB2 LYS 31 OK 92 92 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 88 88 100 100 2.3-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 31 OK 32 96 40 84 2.0-14.6 639=8, 1.8/628=6...(58) HG2 LYS 24 - HB2 LYS 19 poor 20 100 20 - 3.7-16.8 HG2 LYS 19 - HB2 LYS 24 poor 18 88 20 - 3.4-16.9 QB ALA 15 - HB2 LYS 19 far 15 100 15 - 3.2-11.8 QB ALA 28 - HB2 LYS 24 far 15 100 15 - 3.6-11.7 HG3 LYS 31 - HB2 LYS 26 far 15 98 15 - 3.1-14.0 QB ALA 15 - HB2 LYS 31 far 14 96 15 - 2.9-21.5 QB ALA 12 - HB2 LYS 19 far 12 77 15 - 3.2-16.2 QB ALA 16 - HB2 LYS 19 far 11 75 15 - 4.3-10.2 HG3 LYS 31 - HB2 LYS 19 far 10 97 10 - 2.7-23.1 HG3 LYS 31 - HB2 LYS 24 far 10 97 10 - 3.7-17.1 HG2 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.2-11.2 QB ALA 110 - HB2 LYS 26 far 5 100 5 - 4.6-29.1 QB ALA 108 - HB2 LYS 26 far 5 100 5 - 4.5-25.6 QB ALA 28 - HB2 LYS 26 far 5 100 5 - 4.9-6.6 QB ALA 15 - HB2 LYS 24 far 5 100 5 - 4.0-16.1 QB ALA 29 - HB2 LYS 24 far 5 100 5 - 4.1-11.9 HG2 LYS 36 - HB2 LYS 24 far 5 100 5 - 4.2-27.3 QB ALA 108 - HB2 LYS 24 far 5 100 5 - 4.3-30.9 QB ALA 28 - HB2 LYS 31 far 5 96 5 - 3.9-8.1 QB ALA 12 - HB2 LYS 31 far 4 71 5 - 4.2-20.5 QB ALA 16 - HB2 LYS 31 far 3 69 5 - 3.9-22.2 HB2 LEU 42 - HB2 LYS 39 far 3 63 5 - 4.9-6.9 QB ALA 29 - HB2 LYS 26 far 0 100 0 - 5.0-8.6 QB ALA 28 - HB2 LYS 19 far 0 100 0 - 5.0-20.0 HG2 LYS 19 - HB2 LYS 31 far 0 81 0 - 5.2-27.3 QB ALA 110 - HB2 LYS 19 far 0 100 0 - 5.2-44.1 HG3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.4-11.1 HG2 LYS 36 - HB2 LYS 26 far 0 100 0 - 5.5-22.8 HG2 LYS 24 - HB2 LYS 31 far 0 96 0 - 5.6-19.7 QB ALA 29 - HB2 LYS 31 far 0 96 0 - 5.6-7.8 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 6.0-22.5 QB ALA 12 - HB2 LYS 24 far 0 77 0 - 6.0-16.8 QB ALA 29 - HB2 LYS 19 far 0 100 0 - 6.4-20.3 HG2 LYS 19 - HB2 LYS 26 far 0 89 0 - 6.4-24.5 HG2 LYS 36 - HB2 LYS 31 far 0 96 0 - 6.5-12.1 QB ALA 109 - HB2 LYS 26 far 0 99 0 - 6.6-26.4 QB ALA 109 - HB2 LYS 24 far 0 98 0 - 6.6-32.7 QB ALA 16 - HB2 LYS 24 far 0 75 0 - 6.8-16.1 HG3 LYS 95 - HB2 LYS 24 far 0 99 0 - 7.0-33.7 QB ALA 109 - HB2 LYS 19 far 0 99 0 - 7.3-41.6 HG2 LYS 36 - HB2 LYS 19 far 0 100 0 - 7.3-32.2 QB ALA 15 - HB2 LYS 26 far 0 100 0 - 7.6-20.4 QB ALA 16 - HB2 LYS 26 far 0 76 0 - 7.8-20.6 HG2 LYS 95 - HB2 LYS 24 far 0 99 0 - 7.9-33.5 HG2 LYS 24 - HB2 LYS 39 far 0 63 0 - 8.0-31.6 QB ALA 12 - HB2 LYS 26 far 0 78 0 - 8.3-21.0 QB ALA 16 - HB2 LYS 39 far 0 41 0 - 8.9-31.7 QB ALA 12 - HB2 LYS 39 far 0 43 0 - 8.9-34.9 QB ALA 108 - HB2 LYS 19 far 0 100 0 - 9.4-40.4 HG2 LYS 36 - HB2 LYS 39 far 0 64 0 - 9.5-14.0 HB3 LEU 100 - HB2 LYS 26 far 0 100 0 - 9.6-21.1 QB ALA 108 - HB2 LYS 31 far 0 96 0 - 9.7-26.1 QB ALA 110 - HB2 LYS 24 far 0 100 0 - 9.9-36.0 Violated in 0 structures by 0.00 A. Peak 610 from cnoeabs.peaks (1.66, 1.75, 32.72 ppm; 4.35 A): 15 out of 55 assignments used, quality = 1.00: * HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.2-4.1 3.9=100 HD2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.9-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.5-4.2 3.9=100 HD2 LYS 39 + HB2 LYS 39 OK 49 49 100 100 2.3-3.5 3.6=100 HD3 LYS 26 + HB2 LYS 31 OK 42 96 45 97 2.4-15.6 2.9/639=7, 2.9/628=7...(117) HD2 LYS 26 + HB2 LYS 31 OK 37 96 40 98 3.3-16.0 2.9/639=7, 2.9/628=7...(145) HG LEU 43 + HB2 LYS 39 OK 35 50 70 98 4.3-7.0 ~11901=46...(20) HD2 LYS 31 + HB2 LYS 26 OK 29 100 30 98 4.5-13.8 10771/10770=16...(175) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 99 4.1-13.7 10771/10770=13...(196) HD3 LYS 24 + HB2 LYS 19 OK 23 100 25 94 4.7-15.4 3.0/823=4, 2632/1.8=3...(136) HD2 LYS 24 - HB2 LYS 19 far 15 100 15 - 3.7-16.1 HD2 LYS 19 - HB2 LYS 24 poor 13 96 30 45 4.1-16.1 305=2, 3.0/514=1...(5) HD3 LYS 19 - HB2 LYS 24 poor 12 96 25 48 2.7-16.8 3.0/514=1, 1.8/305=1...(5) HD3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.0-12.6 HD2 LYS 24 - HB2 LYS 26 far 5 100 5 - 3.6-12.6 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-23.5 HD2 LYS 31 - HB2 LYS 24 far 5 100 5 - 4.7-17.2 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-23.0 HD3 LYS 26 - HB2 LYS 19 far 5 100 5 - 5.6-21.9 HB2 LEU 98 - HB2 LYS 24 far 5 98 5 - 5.1-34.5 HD2 LYS 36 - HB2 LYS 26 far 5 97 5 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 24 far 5 97 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 5 97 5 - 4.2-25.9 HD2 LYS 36 - HB2 LYS 31 far 5 91 5 - 5.5-12.6 HD2 LYS 19 - HB2 LYS 31 far 5 90 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 90 5 - 5.5-29.5 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 0 97 0 - 6.1-21.8 HD3 LYS 24 - HB2 LYS 31 far 0 96 0 - 6.2-19.4 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 6.2-21.7 HB2 LEU 98 - HB2 LYS 26 far 0 99 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 91 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 97 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 96 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 97 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 59 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 64 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 59 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 97 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 86 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 96 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 97 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 58 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 89 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 64 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 64 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 611 from cnoeabs.peaks (1.66, 1.75, 32.72 ppm; 4.35 A): 15 out of 55 assignments used, quality = 1.00: * HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.5-4.2 3.9=100 HD3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.9-4.2 3.5=100 HD2 LYS 39 + HB2 LYS 39 OK 46 46 100 100 2.3-3.5 3.6=100 HD3 LYS 26 + HB2 LYS 31 OK 42 96 45 97 2.4-15.6 2.9/639=7, 2.9/628=7...(117) HD2 LYS 26 + HB2 LYS 31 OK 37 96 40 98 3.3-16.0 2.9/639=7, 2.9/628=7...(145) HG LEU 43 + HB2 LYS 39 OK 37 53 70 98 4.3-7.0 ~11901=46...(20) HD2 LYS 31 + HB2 LYS 26 OK 29 100 30 98 4.5-13.8 10771/10770=15...(175) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 99 4.1-13.7 10771/10770=13...(196) HD3 LYS 24 + HB2 LYS 19 OK 23 100 25 94 4.7-15.4 3.0/823=4, 2632/1.8=3...(136) HD2 LYS 24 - HB2 LYS 19 far 15 100 15 - 3.7-16.1 HD2 LYS 19 - HB2 LYS 24 poor 13 97 30 45 4.1-16.1 305=2, 3.0/514=1...(5) HD3 LYS 19 - HB2 LYS 24 poor 12 97 25 48 2.7-16.8 3.0/514=1, 1.8/305=1...(5) HD3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.0-12.6 HD2 LYS 24 - HB2 LYS 26 far 5 100 5 - 3.6-12.6 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-23.5 HD3 LYS 26 - HB2 LYS 19 far 5 100 5 - 5.6-21.9 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-23.0 HD2 LYS 31 - HB2 LYS 24 far 5 100 5 - 4.7-17.2 HB2 LEU 98 - HB2 LYS 24 far 5 99 5 - 5.1-34.5 HD2 LYS 36 - HB2 LYS 26 far 5 96 5 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 24 far 5 95 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 5 95 5 - 4.2-25.9 HD2 LYS 19 - HB2 LYS 31 far 5 92 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 92 5 - 5.5-29.5 HD2 LYS 36 - HB2 LYS 31 far 4 89 5 - 5.5-12.6 HD3 LYS 31 - HB2 LYS 24 far 0 100 0 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 0 100 0 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 0 96 0 - 6.1-21.8 HD3 LYS 24 - HB2 LYS 31 far 0 96 0 - 6.2-19.4 HD2 LYS 26 - HB2 LYS 19 far 0 100 0 - 6.2-21.7 HB2 LEU 98 - HB2 LYS 26 far 0 99 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 89 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 98 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 96 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 98 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 57 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 63 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 57 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 95 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 82 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 97 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 96 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 60 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 92 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 63 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 64 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 612 from cnoeabs.peaks (2.97, 1.75, 32.72 ppm; 6.80 A): 16 out of 47 assignments used, quality = 1.00: * HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.6-5.5 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.1-5.1 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 97 97 100 100 3.2-5.1 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 1.8-4.7 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.0-4.9 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 95 95 100 100 2.0-4.5 5.1=100 HE2 LYS 31 + HB2 LYS 26 OK 62 100 65 96 4.4-12.8 3.7/834=9, 3.7/823=8...(149) HE2 LYS 26 + HB2 LYS 31 OK 62 96 65 99 3.2-17.5 6338/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 62 96 65 99 3.4-17.3 6338/6331=10, 3.6/639=9...(180) HE3 LYS 31 + HB2 LYS 26 OK 53 100 55 96 4.2-12.2 3.7/834=9, 3.7/823=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 49 99 50 98 5.3-18.0 4.0/823=6, 2634/1.8=5...(187) HE2 LYS 24 + HB2 LYS 19 OK 33 95 35 98 4.1-17.5 4.0/823=6, 1.8/1217=5...(186) HE2 LYS 19 + HB2 LYS 24 OK 27 97 35 80 3.8-18.2 6.4/790=3, 1025/2.9=2...(79) HE3 LYS 19 + HB2 LYS 24 OK 25 100 35 70 4.9-17.5 1026/2.9=3, 6.4/790=3...(58) HE3 LYS 24 - HB2 LYS 26 poor 20 99 20 - 4.4-13.6 HE3 LYS 36 - HB2 LYS 31 poor 19 94 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE2 LYS 36 - HB2 LYS 31 poor 13 91 35 39 3.5-12.9 6337/6331=3, ~2634=1...(4) HE2 LYS 26 - HB2 LYS 24 poor 11 100 50 22 5.6-12.3 9587/11151=7, 3.6/834=2 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.9-25.9 HE2 LYS 26 - HB2 LYS 19 far 10 100 10 - 6.8-24.3 HE2 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.2-25.0 HE3 LYS 31 - HB2 LYS 24 far 10 100 10 - 6.7-18.7 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 6.9-18.8 HE3 LYS 26 - HB2 LYS 24 poor 10 100 35 28 5.3-12.3 9587/11151=10, 3.6/834=2 HE2 LYS 36 - HB2 LYS 24 far 10 97 10 - 1.9-26.5 HE2 LYS 24 - HB2 LYS 26 far 10 96 10 - 4.0-13.1 HE3 LYS 19 - HB2 LYS 31 far 10 96 10 - 7.1-27.9 HE3 LYS 24 - HB2 LYS 31 far 9 94 10 - 5.8-20.7 HE2 LYS 19 - HB2 LYS 31 far 9 92 10 - 7.3-27.5 HE3 LYS 36 - HB2 LYS 26 poor 9 99 40 22 4.9-22.7 10721/10748=3 HE2 LYS 36 - HB2 LYS 26 poor 9 97 35 26 3.3-22.3 10721/10748=3 HE2 LYS 24 - HB2 LYS 31 far 9 89 10 - 4.9-20.2 HE3 LYS 19 - HB2 LYS 26 far 5 100 5 - 8.2-24.9 HE3 LYS 26 - HB2 LYS 19 far 5 100 5 - 8.0-24.1 HE3 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.6-27.4 HB2 CYS 45 - HB2 LYS 26 far 4 71 5 - 7.3-23.2 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 98 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 62 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 64 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 98 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 59 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 70 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 62 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 613 from cnoeabs.peaks (2.97, 1.75, 32.72 ppm; 6.80 A): 16 out of 47 assignments used, quality = 1.00: HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 * HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.6-5.5 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.1-5.1 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 97 97 100 100 3.2-5.1 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 96 96 100 100 1.8-4.7 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 96 96 100 100 2.0-4.9 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 95 95 100 100 2.0-4.5 5.1=100 HE2 LYS 31 + HB2 LYS 26 OK 62 100 65 96 4.4-12.8 3.7/834=9, 3.7/823=8...(149) HE2 LYS 26 + HB2 LYS 31 OK 62 96 65 99 3.2-17.5 6338/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 62 96 65 99 3.4-17.3 6338/6331=10, 3.6/639=9...(180) HE3 LYS 31 + HB2 LYS 26 OK 53 100 55 96 4.2-12.2 3.7/834=9, 3.7/823=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 49 99 50 98 5.3-18.0 4.0/823=6, 2634/1.8=5...(187) HE2 LYS 24 + HB2 LYS 19 OK 33 95 35 98 4.1-17.5 4.0/823=6, 1.8/1217=5...(186) HE2 LYS 19 + HB2 LYS 24 OK 27 97 35 80 3.8-18.2 6.4/790=3, 1025/2.9=2...(79) HE3 LYS 19 + HB2 LYS 24 OK 25 100 35 70 4.9-17.5 1026/2.9=3, 6.4/790=3...(58) HE3 LYS 24 - HB2 LYS 26 poor 20 99 20 - 4.4-13.6 HE3 LYS 36 - HB2 LYS 31 poor 19 94 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE2 LYS 36 - HB2 LYS 31 poor 13 91 35 39 3.5-12.9 6337/6331=3, ~2634=1...(4) HE2 LYS 26 - HB2 LYS 24 poor 11 100 50 22 5.6-12.3 9587/11151=7, 3.6/834=2 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.9-25.9 HE2 LYS 26 - HB2 LYS 19 far 10 100 10 - 6.8-24.3 HE2 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.2-25.0 HE3 LYS 31 - HB2 LYS 24 far 10 100 10 - 6.7-18.7 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 6.9-18.8 HE3 LYS 26 - HB2 LYS 24 poor 10 100 35 28 5.3-12.3 9587/11151=10, 3.6/834=2 HE2 LYS 36 - HB2 LYS 24 far 10 97 10 - 1.9-26.5 HE2 LYS 24 - HB2 LYS 26 far 10 96 10 - 4.0-13.1 HE3 LYS 19 - HB2 LYS 31 far 10 96 10 - 7.1-27.9 HE3 LYS 24 - HB2 LYS 31 far 9 94 10 - 5.8-20.7 HE2 LYS 19 - HB2 LYS 31 far 9 92 10 - 7.3-27.5 HE3 LYS 36 - HB2 LYS 26 poor 9 99 40 22 4.9-22.7 10721/10748=3 HE2 LYS 36 - HB2 LYS 26 poor 9 97 35 26 3.3-22.3 10721/10748=3 HE2 LYS 24 - HB2 LYS 31 far 9 89 10 - 4.9-20.2 HE3 LYS 19 - HB2 LYS 26 far 5 100 5 - 8.2-24.9 HE3 LYS 26 - HB2 LYS 19 far 5 100 5 - 8.0-24.1 HE3 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.6-27.4 HB2 CYS 45 - HB2 LYS 26 far 4 71 5 - 7.3-23.2 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 98 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 62 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 64 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 98 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 59 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 70 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 62 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 614 from cnoeabs.peaks (8.39, 1.75, 32.72 ppm; 3.34 A): 3 out of 26 assignments used, quality = 1.00: * H GLN 27 + HB2 LYS 26 OK 100 100 100 100 1.7-4.6 6262=100, 6263/1.8=72...(17) H LYS 26 + HB2 LYS 26 OK 87 87 100 100 2.1-3.6 6250=80, 6251/1.8=64...(35) H LYS 24 + HB2 LYS 24 OK 84 84 100 100 2.1-3.7 3.0/491=59, 4.1=55...(19) H LYS 26 - HB2 LYS 31 poor 16 80 20 - 2.5-13.9 H GLY 14 - HB2 LYS 19 poor 15 77 20 - 3.4-16.3 H GLN 27 - HB2 LYS 31 far 14 96 15 - 4.5-12.1 H LYS 24 - HB2 LYS 19 far 13 84 15 - 3.7-14.2 H LYS 26 - HB2 LYS 24 far 9 86 10 - 3.6-7.8 H LYS 24 - HB2 LYS 26 far 8 85 10 - 4.2-9.5 H GLN 27 - HB2 LYS 24 far 5 100 5 - 2.7-10.1 H ASP 35 - HB2 LYS 24 far 5 100 5 - 4.1-25.0 H LYS 26 - HB2 LYS 19 far 4 86 5 - 2.7-20.8 H LYS 24 - HB2 LYS 31 far 0 78 0 - 5.4-18.0 H GLN 27 - HB2 LYS 19 far 0 100 0 - 5.4-21.7 H ASP 35 - HB2 LYS 26 far 0 100 0 - 5.5-20.9 H HIS 3 - HB2 LYS 31 far 0 92 0 - 6.0-49.5 H GLY 14 - HB2 LYS 24 far 0 77 0 - 6.0-21.5 H THR 65 - HB2 LYS 26 far 0 99 0 - 6.1-20.3 H MET 11 - HB2 LYS 19 far 0 70 0 - 6.4-21.5 H GLY 14 - HB2 LYS 31 far 0 71 0 - 6.5-24.8 H THR 65 - HB2 LYS 24 far 0 98 0 - 6.8-22.0 H THR 65 - HB2 LYS 31 far 0 93 0 - 7.2-19.5 H ASP 35 - HB2 LYS 31 far 0 96 0 - 7.7-11.9 H MET 11 - HB2 LYS 24 far 0 70 0 - 7.9-24.7 H HIS 3 - HB2 LYS 26 far 0 98 0 - 9.2-55.6 H LYS 24 - HB2 LYS 39 far 0 47 0 - 9.5-30.0 Violated in 0 structures by 0.00 A. Peak 615 from cnoeabs.peaks (8.37, 1.82, 32.72 ppm; 3.54 A): 5 out of 33 assignments used, quality = 1.00: * H LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-3.9 6251=100, 6250/1.8=92...(31) H LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.1-3.7 6219/482=76, 4.1=66...(20) H GLN 27 + HB3 LYS 26 OK 86 87 100 99 1.9-4.2 6263=79, 6262/1.8=64...(18) H LYS 19 + HB3 LYS 19 OK 73 74 100 99 3.5-4.0 3.9=72, 6149/1.8=63...(36) H ASP 35 + HB2 LYS 36 OK 50 84 65 92 3.9-6.0 6387/6392=53, 10884=40...(11) H LYS 24 - HB3 LYS 19 poor 19 96 20 - 2.4-13.6 H LYS 26 - HB3 LYS 24 far 15 99 15 - 4.4-8.0 H LYS 26 - HB3 LYS 31 poor 14 96 30 47 3.7-14.5 6252/629=5, 2.9/240=4...(26) H GLN 27 - HB3 LYS 31 far 12 80 15 - 3.4-13.1 H LYS 19 - HB3 LYS 24 far 12 78 15 - 3.6-14.3 H LYS 19 - HB3 LYS 31 far 7 73 10 - 3.3-24.1 H LYS 24 - HB3 LYS 26 far 5 100 5 - 4.8-9.9 H LYS 26 - HB3 LYS 19 far 5 96 5 - 3.0-20.1 H LYS 24 - HB3 LYS 31 far 5 96 5 - 4.1-17.4 H GLY 14 - HB3 LYS 19 far 5 96 5 - 4.3-17.1 H ASP 35 - HB3 LYS 24 far 4 87 5 - 2.6-24.1 H GLN 27 - HB3 LYS 24 far 4 84 5 - 3.5-11.0 H LYS 24 - HB2 LYS 36 far 0 96 0 - 5.1-28.9 H LYS 19 - HB3 LYS 26 far 0 81 0 - 5.1-21.9 H GLN 27 - HB3 LYS 19 far 0 80 0 - 5.7-21.2 H GLN 27 - HB2 LYS 36 far 0 80 0 - 5.7-23.8 H GLY 14 - HB3 LYS 24 far 0 98 0 - 5.9-21.7 H GLY 14 - HB3 LYS 31 far 0 95 0 - 6.0-25.0 H LYS 26 - HB2 LYS 36 far 0 96 0 - 6.2-26.0 H ASP 35 - HB3 LYS 26 far 0 90 0 - 6.3-21.5 H THR 65 - HB3 LYS 24 far 0 95 0 - 6.8-21.7 H THR 65 - HB3 LYS 26 far 0 97 0 - 7.3-21.7 H LYS 19 - HB2 LYS 36 far 0 74 0 - 7.4-34.5 H ASP 35 - HB3 LYS 31 far 0 83 0 - 7.5-11.7 H HIS 3 - HB3 LYS 31 far 0 92 0 - 7.6-50.0 H THR 65 - HB3 LYS 31 far 0 91 0 - 8.2-20.6 H THR 65 - HB2 LYS 36 far 0 92 0 - 9.2-19.1 H HIS 3 - HB2 LYS 36 far 0 93 0 - 9.4-54.5 Violated in 0 structures by 0.00 A. Peak 616 from cnoeabs.peaks (4.27, 1.82, 32.72 ppm; 3.28 A): 5 out of 77 assignments used, quality = 1.00: * HA LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.3-2.7 3.0=100 HA LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HA LYS 31 + HB3 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HA GLN 27 + HB3 LYS 26 OK 33 71 50 92 4.1-5.6 3.0/6263=51, ~6262=29...(23) HA LEU 22 - HB3 LYS 24 poor 20 99 20 - 4.2-7.6 HA LYS 31 - HB3 LYS 26 poor 20 99 20 - 4.4-15.8 HA LYS 26 - HB3 LYS 31 poor 19 96 40 50 2.7-15.0 240=5, 790/1.8=5...(16) HA THR 25 - HB3 LYS 24 poor 19 75 25 - 4.2-6.5 HA ARG 23 - HB3 LYS 24 poor 17 86 20 - 4.4-6.2 HA ARG 23 - HB3 LYS 19 far 12 82 15 - 4.3-14.0 HA ALA 21 - HB3 LYS 24 far 12 78 15 - 3.5-10.5 HA THR 18 - HB3 LYS 24 far 7 73 10 - 4.0-14.9 HA LYS 19 - HB3 LYS 24 lone 5 99 30 17 2.0-13.2 822/2.9=3, 241/2.9=3...(6) HA LYS 36 - HB3 LYS 24 far 5 98 5 - 4.3-28.6 HA LYS 19 - HB3 LYS 31 far 5 96 5 - 3.9-25.7 HA GLN 61 - HB3 LYS 26 far 5 96 5 - 4.1-24.5 HA ALA 16 - HB3 LYS 19 far 5 94 5 - 4.1-11.3 HA ALA 16 - HB3 LYS 31 far 5 94 5 - 3.3-26.4 HA LYS 31 - HB3 LYS 19 far 5 94 5 - 4.5-26.9 HA ALA 15 - HB3 LYS 19 far 4 84 5 - 3.1-13.8 HA ALA 12 - HB3 LYS 19 far 4 84 5 - 4.1-19.2 HA ARG 23 - HB3 LYS 31 far 4 81 5 - 4.2-18.6 HA THR 25 - HB3 LYS 26 far 4 78 5 - 4.7-6.6 HA ALA 21 - HB2 LYS 36 far 4 74 5 - 4.2-30.8 HA THR 25 - HB3 LYS 19 far 4 72 5 - 4.2-18.3 HA THR 25 - HB3 LYS 31 far 4 71 5 - 2.7-15.0 HA THR 18 - HB3 LYS 31 far 3 69 5 - 2.8-25.1 HA GLN 27 - HB2 LYS 36 far 3 64 5 - 4.4-21.6 HA ARG 23 - HB3 LYS 26 lone 2 89 25 10 2.0-11.3 424/6251=3, 627/3.0=1...(4) HA ALA 15 - HB3 LYS 31 far 0 83 0 - 4.8-24.3 HA GLN 27 - HB3 LYS 24 far 0 68 0 - 4.9-11.9 HA ALA 110 - HB3 LYS 19 far 0 85 0 - 5.0-51.4 HA ALA 109 - HB3 LYS 26 far 0 99 0 - 5.0-34.1 HA LYS 26 - HB3 LYS 19 far 0 96 0 - 5.0-20.0 HA GLN 27 - HB3 LYS 31 far 0 64 0 - 5.1-11.6 HA ALA 21 - HB3 LYS 19 far 0 74 0 - 5.1-9.1 HA LYS 31 - HB2 LYS 36 far 0 94 0 - 5.5-14.2 HA LYS 19 - HB3 LYS 26 far 0 100 0 - 5.6-21.5 HA THR 18 - HB3 LYS 19 far 0 69 0 - 5.6-6.6 HA ALA 108 - HB3 LYS 26 far 0 99 0 - 5.7-32.7 HA ALA 110 - HB3 LYS 26 far 0 92 0 - 5.7-35.3 HA THR 18 - HB2 LYS 36 far 0 69 0 - 5.7-36.4 HA THR 25 - HB2 LYS 36 far 0 72 0 - 5.9-25.6 HA ALA 15 - HB3 LYS 24 far 0 87 0 - 5.9-19.8 HA ALA 12 - HB3 LYS 31 far 0 83 0 - 6.0-26.6 HA LYS 26 - HB3 LYS 24 far 0 99 0 - 6.1-8.8 HA LEU 22 - HB3 LYS 26 far 0 100 0 - 6.3-13.3 HA LEU 22 - HB3 LYS 19 far 0 96 0 - 6.5-9.9 HA ARG 23 - HB2 LYS 36 far 0 82 0 - 6.5-28.2 HA ALA 15 - HB3 LYS 26 far 0 90 0 - 6.6-24.8 HA LYS 36 - HB3 LYS 31 far 0 94 0 - 6.7-16.3 HA GLN 27 - HB3 LYS 19 far 0 64 0 - 6.8-21.6 HA LYS 36 - HB3 LYS 26 far 0 99 0 - 6.9-25.7 HA LEU 22 - HB2 LYS 36 far 0 96 0 - 7.2-31.8 HA LYS 26 - HB2 LYS 36 far 0 96 0 - 7.2-24.7 HA ALA 16 - HB3 LYS 24 far 0 97 0 - 7.3-17.7 HA ALA 21 - HB3 LYS 26 far 0 81 0 - 7.3-15.2 HA ALA 21 - HB3 LYS 31 far 0 73 0 - 7.4-19.9 HA ALA 12 - HB3 LYS 24 far 0 87 0 - 7.6-23.5 HA THR 18 - HB3 LYS 26 far 0 76 0 - 7.6-20.1 HA LYS 31 - HB3 LYS 24 far 0 97 0 - 7.6-18.1 HA GLN 61 - HB3 LYS 31 far 0 89 0 - 7.6-24.0 HA GLN 61 - HB3 LYS 24 far 0 93 0 - 7.7-24.4 HA ALA 108 - HB3 LYS 24 far 0 97 0 - 7.7-37.7 HA LEU 22 - HB3 LYS 31 far 0 96 0 - 7.9-19.7 HA LYS 19 - HB2 LYS 36 far 0 96 0 - 7.9-35.2 HA ALA 109 - HB3 LYS 19 far 0 94 0 - 8.0-50.5 HA ALA 109 - HB3 LYS 24 far 0 97 0 - 8.3-39.9 HA ALA 15 - HB2 LYS 36 far 0 84 0 - 8.6-31.8 HA LYS 36 - HB3 LYS 19 far 0 95 0 - 8.6-35.4 HA GLN 61 - HB3 LYS 19 far 0 90 0 - 8.7-30.4 HA ALA 16 - HB3 LYS 26 far 0 99 0 - 8.8-24.5 HA ALA 108 - HB3 LYS 31 far 0 93 0 - 9.1-32.9 HA ALA 16 - HB2 LYS 36 far 0 94 0 - 9.2-35.2 HA ALA 108 - HB3 LYS 19 far 0 94 0 - 9.5-48.5 HA SER 74 - HB3 LYS 31 far 0 71 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 617 from cnoeabs.peaks (1.75, 1.82, 32.72 ppm; 2.50 A): 4 out of 29 assignments used, quality = 1.00: * HB2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 LYS 19 + HB3 LYS 19 OK 96 96 100 100 1.8-1.8 1.8=100 HB2 LYS 31 + HB3 LYS 31 OK 94 94 100 100 1.8-1.8 1.8=100 HB2 LYS 24 - HB3 LYS 19 far 14 96 15 - 1.9-15.0 HB2 LYS 26 - HB3 LYS 31 poor 14 96 35 41 1.9-14.9 607=3, 799/6332=3...(26) HB2 ARG 23 - HB3 LYS 26 far 10 100 10 - 2.4-12.4 HB2 LYS 31 - HB3 LYS 26 poor 9 99 25 38 2.0-14.1 6331/6332=3, 639/3.0=2...(11) HB2 LYS 19 - HB3 LYS 26 far 5 100 5 - 3.6-22.7 HB2 LYS 19 - HB3 LYS 31 far 5 96 5 - 1.9-25.4 HB2 LYS 24 - HB2 LYS 36 far 5 96 5 - 3.3-29.5 HB2 ARG 23 - HB3 LYS 31 far 5 95 5 - 3.6-20.4 HB2 LYS 19 - HB3 LYS 24 far 0 99 0 - 4.0-14.4 HB2 LYS 26 - HB3 LYS 19 far 0 96 0 - 4.5-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 98 0 - 4.7-7.6 HB2 LYS 26 - HB3 LYS 24 far 0 99 0 - 4.7-10.3 HB2 LYS 31 - HB3 LYS 19 far 0 94 0 - 4.8-27.2 HB2 LYS 24 - HB3 LYS 31 far 0 96 0 - 4.9-18.1 HB2 LYS 26 - HB2 LYS 36 far 0 96 0 - 5.0-25.1 HB2 ARG 23 - HB3 LYS 19 far 0 95 0 - 5.1-13.2 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 5.2-10.9 HB2 ARG 23 - HB2 LYS 36 far 0 95 0 - 5.9-26.6 HB2 LYS 31 - HB3 LYS 24 far 0 97 0 - 6.1-18.4 HB2 LYS 31 - HB2 LYS 36 far 0 94 0 - 6.2-14.4 HG LEU 100 - HB3 LYS 26 far 0 65 0 - 7.7-21.8 HB2 LEU 43 - HB2 LYS 36 far 0 69 0 - 9.1-16.1 HB2 LEU 43 - HB3 LYS 26 far 0 76 0 - 9.4-28.2 HB2 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.5-34.1 HG LEU 100 - HB3 LYS 24 far 0 63 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 618 from cnoeabs.peaks (1.82, 1.82, 32.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 LYS 26 + HB3 LYS 26 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 98 98 - 100 HB2 LYS 36 + HB2 LYS 36 OK 96 96 - 100 HB3 LYS 19 + HB3 LYS 19 OK 94 94 - 100 HB3 LYS 31 + HB3 LYS 31 OK 94 94 - 100 Peak 619 from cnoeabs.peaks (1.43, 1.82, 32.72 ppm; 3.63 A): 7 out of 33 assignments used, quality = 1.00: * HG2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 91 91 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 36 OK 35 95 40 93 4.1-11.8 ~10810=27, ~10899=26...(32) HG2 LYS 26 + HB3 LYS 31 OK 31 96 35 91 2.5-17.3 629=9, 628/1.8=7...(80) HG2 LYS 31 + HB3 LYS 26 OK 30 98 35 89 3.6-16.1 284=6, 823/1.8=5...(107) HG3 LYS 24 - HB3 LYS 19 poor 18 88 30 67 2.0-15.5 284=4, 525/1.8=3...(23) HG13 ILE 32 - HB3 LYS 26 poor 16 99 25 63 2.3-13.7 6264/6263=9, 1.8/913=8...(24) HG13 ILE 32 - HB3 LYS 31 far 14 94 15 - 3.7-7.2 HG2 LYS 26 - HB2 LYS 36 far 10 96 10 - 4.0-27.3 HG3 LYS 19 - HB3 LYS 24 far 9 94 10 - 3.9-16.0 HG2 LYS 31 - HB3 LYS 24 far 5 96 5 - 4.5-18.4 HG3 LYS 24 - HB3 LYS 26 far 5 95 5 - 3.6-11.7 HG2 LYS 31 - HB2 LYS 36 far 5 93 5 - 3.7-16.4 HG2 LYS 31 - HB3 LYS 19 far 5 93 5 - 4.2-25.3 QB ALA 34 - HB3 LYS 24 far 5 91 5 - 4.6-20.2 HG3 LYS 19 - HB3 LYS 31 far 5 90 5 - 4.5-27.7 HG3 LYS 24 - HB3 LYS 31 far 4 88 5 - 5.0-17.6 QB ALA 16 - HB3 LYS 19 far 3 57 5 - 4.9-10.4 QB ALA 16 - HB3 LYS 31 far 3 56 5 - 3.6-22.8 HG13 ILE 32 - HB3 LYS 24 far 0 98 0 - 5.3-17.6 QB ALA 34 - HB2 LYS 36 far 0 87 0 - 5.3-7.2 HG2 LYS 26 - HB3 LYS 24 far 0 99 0 - 5.5-11.9 HG3 LYS 24 - HB2 LYS 36 far 0 88 0 - 5.5-27.7 HG3 LYS 19 - HB3 LYS 26 far 0 97 0 - 5.6-24.0 QB ALA 16 - HB3 LYS 24 far 0 60 0 - 6.0-15.3 QB ALA 16 - HB2 LYS 36 far 0 57 0 - 6.6-28.2 HG2 LYS 26 - HB3 LYS 19 far 0 96 0 - 6.8-23.3 QB ALA 16 - HB3 LYS 26 far 0 63 0 - 7.0-20.5 QB ALA 34 - HB3 LYS 26 far 0 93 0 - 7.5-18.8 HG13 ILE 32 - HB3 LYS 19 far 0 95 0 - 8.3-24.4 QB ALA 34 - HB3 LYS 31 far 0 86 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 620 from cnoeabs.peaks (1.38, 1.82, 32.72 ppm; 3.45 A): 7 out of 65 assignments used, quality = 1.00: * HG3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.3-3.0 2.9=100 HG2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 82 82 100 100 2.5-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 31 96 40 80 2.2-16.3 1.8/629=7, 640=7...(63) HG3 LYS 31 + HB3 LYS 26 OK 26 98 30 87 3.3-14.9 640=5, 1.8/284=4...(101) HG2 LYS 24 - HB3 LYS 19 poor 19 96 20 - 2.0-15.9 QB ALA 15 - HB3 LYS 19 far 14 96 15 - 4.0-12.6 QB ALA 28 - HB3 LYS 31 far 14 96 15 - 4.8-8.0 QB ALA 15 - HB3 LYS 31 far 10 96 10 - 2.6-21.8 HG2 LYS 19 - HB3 LYS 24 far 9 86 10 - 3.4-16.0 HG2 LYS 24 - HB3 LYS 26 far 5 100 5 - 2.9-11.3 QB ALA 110 - HB3 LYS 26 far 5 100 5 - 3.1-29.9 QB ALA 108 - HB3 LYS 26 far 5 100 5 - 3.5-26.4 QB ALA 29 - HB3 LYS 24 far 5 99 5 - 2.6-12.1 QB ALA 15 - HB3 LYS 24 far 5 99 5 - 4.1-15.5 HG2 LYS 36 - HB3 LYS 24 far 5 99 5 - 4.9-26.5 HG3 LYS 26 - HB2 LYS 36 far 5 96 5 - 4.6-27.1 HG3 LYS 31 - HB3 LYS 24 far 5 96 5 - 4.8-17.7 HG3 LYS 31 - HB2 LYS 36 far 5 93 5 - 3.8-16.2 HG3 LYS 31 - HB3 LYS 19 far 5 93 5 - 3.7-24.3 HG2 LYS 19 - HB3 LYS 31 far 4 81 5 - 4.7-26.5 QB ALA 12 - HB3 LYS 19 far 4 72 5 - 1.9-16.7 QB ALA 12 - HB3 LYS 31 far 4 71 5 - 3.4-20.9 QB ALA 16 - HB3 LYS 19 far 3 69 5 - 4.9-10.4 QB ALA 16 - HB3 LYS 31 far 3 69 5 - 3.6-22.8 QB ALA 28 - HB3 LYS 24 lone 1 99 25 5 3.3-12.8 6234/6233=2, 10790=1 QB ALA 29 - HB2 LYS 36 far 0 96 0 - 5.0-13.4 QB ALA 28 - HB3 LYS 19 far 0 96 0 - 5.1-20.6 QB ALA 110 - HB3 LYS 19 far 0 96 0 - 5.1-43.2 HG2 LYS 24 - HB3 LYS 31 far 0 96 0 - 5.1-19.1 QB ALA 108 - HB3 LYS 24 far 0 99 0 - 5.2-30.4 QB ALA 28 - HB3 LYS 26 far 0 100 0 - 5.2-7.7 QB ALA 29 - HB3 LYS 26 far 0 100 0 - 5.3-9.5 HG3 LYS 26 - HB3 LYS 24 far 0 99 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 96 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 98 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 99 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 97 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 96 0 - 5.9-8.3 QB ALA 16 - HB3 LYS 24 far 0 73 0 - 6.0-15.3 HG2 LYS 19 - HB3 LYS 26 far 0 89 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 100 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 94 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 96 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 96 0 - 6.5-10.8 QB ALA 16 - HB2 LYS 36 far 0 69 0 - 6.6-28.2 HG2 LYS 95 - HB3 LYS 24 far 0 98 0 - 6.7-33.3 HG2 LYS 36 - HB3 LYS 26 far 0 100 0 - 6.8-22.9 QB ALA 12 - HB3 LYS 24 far 0 75 0 - 6.9-17.9 QB ALA 16 - HB3 LYS 26 far 0 76 0 - 7.0-20.5 HG3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 96 0 - 7.4-28.2 HG2 LYS 36 - HB3 LYS 31 far 0 96 0 - 7.5-13.3 QB ALA 28 - HB2 LYS 36 far 0 96 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 96 0 - 8.2-32.7 QB ALA 12 - HB3 LYS 26 far 0 78 0 - 8.2-20.8 QB ALA 108 - HB3 LYS 31 far 0 96 0 - 8.5-26.6 QB ALA 110 - HB3 LYS 24 far 0 99 0 - 9.1-35.2 HB3 LEU 100 - HB3 LYS 26 far 0 100 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 82 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 96 0 - 9.7-39.7 QB ALA 12 - HB2 LYS 36 far 0 72 0 - 9.8-26.6 QB ALA 109 - HB3 LYS 31 far 0 94 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 621 from cnoeabs.peaks (1.66, 1.82, 32.72 ppm; 3.89 A): 15 out of 55 assignments used, quality = 1.00: * HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-4.1 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.2-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.5-4.2 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 92 92 100 100 2.1-4.0 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 91 91 100 100 2.1-3.7 3.9=97, 6.2/6150=14...(80) HD2 LYS 19 + HB3 LYS 19 OK 91 91 100 100 2.2-3.7 3.9=97, 6.2/6150=14...(80) HD2 LYS 26 + HB3 LYS 31 OK 36 96 40 94 2.9-17.3 2.9/629=7, 2.9/640=5...(116) HD3 LYS 26 + HB3 LYS 31 OK 35 96 40 92 3.4-17.4 2.9/629=7, 2.9/640=5...(92) HD3 LYS 24 + HB3 LYS 19 OK 27 96 35 80 3.5-15.3 3.0/824=3, 306=2...(73) HD2 LYS 24 + HB3 LYS 19 OK 25 96 30 86 2.0-16.0 3.0/824=3, 306=2...(109) HD2 LYS 31 + HB3 LYS 26 OK 24 100 25 96 4.2-14.4 10771/10769=13...(160) HD2 LYS 26 - HB2 LYS 36 poor 19 96 20 - 5.1-27.9 HD3 LYS 31 - HB3 LYS 26 poor 19 100 20 96 4.5-14.4 2.9/284=4, 2.9/620=4...(164) HD3 LYS 19 - HB3 LYS 24 poor 19 94 20 - 2.0-16.3 HD3 LYS 26 - HB2 LYS 36 far 14 96 15 - 4.4-27.1 HD2 LYS 19 - HB3 LYS 24 far 9 94 10 - 3.7-15.7 HD3 LYS 24 - HB3 LYS 26 far 5 100 5 - 3.7-12.3 HD2 LYS 24 - HB3 LYS 26 far 5 100 5 - 5.1-12.6 HD2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.4-17.9 HB2 LEU 98 - HB3 LYS 24 far 5 97 5 - 5.2-34.1 HD2 LYS 31 - HB2 LYS 36 far 5 96 5 - 5.0-15.5 HD2 LYS 36 - HB3 LYS 24 far 5 95 5 - 4.2-24.7 HD2 LYS 19 - HB3 LYS 31 far 5 90 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 90 5 - 4.1-28.8 HD3 LYS 36 - HB3 LYS 24 far 0 95 0 - 5.5-25.2 HD2 LYS 24 - HB2 LYS 36 far 0 96 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 96 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 96 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 97 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 96 0 - 6.0-24.2 HD3 LYS 31 - HB3 LYS 24 far 0 99 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 99 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 96 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 97 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 93 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 91 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 96 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 96 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 97 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 91 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 97 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 99 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 99 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 98 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 82 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 96 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 92 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 84 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 622 from cnoeabs.peaks (1.66, 1.82, 32.72 ppm; 3.89 A): 15 out of 55 assignments used, quality = 1.00: * HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.2-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.5-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.1-3.7 3.9=97, 6.2/6150=14...(80) HD2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.2-3.7 3.9=97, 10696/10697=14...(80) HD2 LYS 36 + HB2 LYS 36 OK 90 90 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 90 90 100 100 2.1-4.0 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 36 96 40 94 2.9-17.3 2.9/629=7, 2.9/640=5...(116) HD3 LYS 26 + HB3 LYS 31 OK 35 96 40 92 3.4-17.4 2.9/629=7, 2.9/640=5...(92) HD3 LYS 24 + HB3 LYS 19 OK 27 96 35 80 3.5-15.3 3.0/824=3, 306=2...(73) HD2 LYS 24 + HB3 LYS 19 OK 25 96 30 86 2.0-16.0 3.0/824=3, 306=2...(109) HD2 LYS 31 + HB3 LYS 26 OK 24 100 25 95 4.2-14.4 10771/10769=12...(160) HD3 LYS 31 - HB3 LYS 26 poor 20 100 20 - 4.5-14.4 HD2 LYS 26 - HB2 LYS 36 poor 19 96 20 - 5.1-27.9 HD3 LYS 19 - HB3 LYS 24 poor 19 96 20 - 2.0-16.3 HD3 LYS 26 - HB2 LYS 36 far 14 96 15 - 4.4-27.1 HD2 LYS 19 - HB3 LYS 24 far 10 96 10 - 3.7-15.7 HD3 LYS 24 - HB3 LYS 26 far 5 100 5 - 3.7-12.3 HD2 LYS 24 - HB3 LYS 26 far 5 100 5 - 5.1-12.6 HD2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.4-17.9 HB2 LEU 98 - HB3 LYS 24 far 5 98 5 - 5.2-34.1 HD2 LYS 31 - HB2 LYS 36 far 5 96 5 - 5.0-15.5 HD2 LYS 36 - HB3 LYS 24 far 5 93 5 - 4.2-24.7 HD2 LYS 19 - HB3 LYS 31 far 5 92 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 92 5 - 4.1-28.8 HD3 LYS 36 - HB3 LYS 24 far 0 93 0 - 5.5-25.2 HD2 LYS 24 - HB2 LYS 36 far 0 96 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 96 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 96 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 96 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 96 0 - 6.0-24.2 HD3 LYS 31 - HB3 LYS 24 far 0 99 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 99 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 96 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 96 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 91 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 89 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 96 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 96 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 98 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 89 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 98 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 96 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 99 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 99 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 98 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 86 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 94 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 90 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 80 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 623 from cnoeabs.peaks (2.97, 1.82, 32.72 ppm; 6.80 A): 20 out of 52 assignments used, quality = 1.00: HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 * HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.8-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.3-4.8 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-5.2 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.0-4.5 4.9=100 HE2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.0-5.1 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.1-4.9 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 3.3-4.7 4.9=100 HE2 LYS 31 + HB3 LYS 26 OK 58 100 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE2 LYS 26 + HB3 LYS 31 OK 57 96 60 99 2.2-19.2 6338/6332=10, 3.6/629=9...(165) HE3 LYS 26 + HB3 LYS 31 OK 57 96 60 99 3.3-19.0 6338/6332=10, 3.6/629=9...(160) HE2 LYS 26 + HB2 LYS 36 OK 48 96 55 91 2.4-29.4 1004/1.8=16, ~1004=13...(60) HE3 LYS 31 + HB3 LYS 26 OK 48 100 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(138) HE3 LYS 24 + HB3 LYS 19 OK 46 95 50 97 3.9-16.9 11770/3.0=5, 4.0/526=5...(161) HE3 LYS 26 + HB2 LYS 36 OK 42 96 50 88 2.6-28.9 1004/1.8=15, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 31 90 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 28 96 35 83 3.5-17.2 1025/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 27 99 35 79 4.6-17.1 1025/2.9=3, 6.4/596=2...(92) HE3 LYS 36 - HB3 LYS 31 poor 19 94 55 36 4.9-14.1 6337/6332=4...(3) HE2 LYS 24 - HB3 LYS 31 poor 18 89 20 - 6.0-19.3 HE3 LYS 24 - HB3 LYS 26 far 15 99 15 - 6.0-13.6 HE2 LYS 24 - HB3 LYS 26 far 14 96 15 - 5.2-13.2 HE3 LYS 19 - HB3 LYS 31 far 14 96 15 - 6.2-27.1 HE3 LYS 24 - HB3 LYS 31 far 14 94 15 - 6.7-20.0 HE2 LYS 36 - HB3 LYS 31 poor 13 91 35 40 5.3-14.3 10813/10751=3...(13) HE2 LYS 26 - HB3 LYS 19 far 10 96 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 10 96 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 10 96 10 - 7.6-23.7 HE2 LYS 31 - HB3 LYS 19 far 10 96 10 - 6.5-26.1 HE2 LYS 36 - HB3 LYS 24 far 10 95 10 - 3.5-25.9 HE2 LYS 26 - HB3 LYS 24 lone 8 99 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 7 99 35 21 4.8-12.9 9587/985=2, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 7 99 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 7 97 25 27 4.2-22.7 10721/10720=3, 10813/10751=2 HB2 CYS 45 - HB2 LYS 36 lone 5 64 55 14 1.8-11.9 10889/10749=3...(6) HE3 LYS 19 - HB3 LYS 26 far 5 100 5 - 8.0-25.2 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.6-18.3 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.8-18.3 HE3 LYS 36 - HB3 LYS 24 far 5 98 5 - 5.2-26.7 HE3 LYS 24 - HB2 LYS 36 far 5 95 5 - 7.5-29.6 HE2 LYS 19 - HB3 LYS 31 far 5 92 5 - 5.8-26.9 HE2 LYS 31 - HB2 LYS 36 lone 5 96 40 12 6.2-12.8 10721/10898=4, 9008/929=3 HE2 LYS 24 - HB2 LYS 36 far 4 90 5 - 6.1-29.9 HB2 CYS 45 - HB3 LYS 26 far 4 71 5 - 7.5-24.2 HE3 LYS 31 - HB2 LYS 36 lone 3 96 25 12 5.6-14.2 10840/10898=4, 9008/929=3 HE2 LYS 19 - HB3 LYS 26 far 0 98 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 97 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 64 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 95 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 64 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 624 from cnoeabs.peaks (2.97, 1.82, 32.72 ppm; 6.80 A): 20 out of 52 assignments used, quality = 1.00: * HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.8-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.3-4.8 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-5.2 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.0-4.5 4.9=100 HE2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.0-5.1 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.1-4.9 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 92 92 100 100 3.3-4.7 4.9=100 HE2 LYS 31 + HB3 LYS 26 OK 58 100 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE2 LYS 26 + HB3 LYS 31 OK 57 96 60 99 2.2-19.2 6338/6332=10, 3.6/629=9...(165) HE3 LYS 26 + HB3 LYS 31 OK 57 96 60 99 3.3-19.0 6338/6332=10, 3.6/629=9...(160) HE2 LYS 26 + HB2 LYS 36 OK 48 96 55 91 2.4-29.4 1004/1.8=16, ~1004=13...(60) HE3 LYS 31 + HB3 LYS 26 OK 48 100 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(138) HE3 LYS 24 + HB3 LYS 19 OK 46 95 50 97 3.9-16.9 11770/3.0=5, 4.0/526=5...(161) HE3 LYS 26 + HB2 LYS 36 OK 42 96 50 88 2.6-28.9 1004/1.8=15, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 31 90 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 28 96 35 83 3.5-17.2 1025/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 27 99 35 79 4.6-17.1 1025/2.9=3, 6.4/596=2...(92) HE3 LYS 36 - HB3 LYS 31 poor 19 94 55 36 4.9-14.1 6337/6332=4...(3) HE2 LYS 24 - HB3 LYS 31 poor 18 89 20 - 6.0-19.3 HE3 LYS 24 - HB3 LYS 26 far 15 99 15 - 6.0-13.6 HE2 LYS 24 - HB3 LYS 26 far 14 96 15 - 5.2-13.2 HE3 LYS 19 - HB3 LYS 31 far 14 96 15 - 6.2-27.1 HE3 LYS 24 - HB3 LYS 31 far 14 94 15 - 6.7-20.0 HE2 LYS 36 - HB3 LYS 31 poor 13 91 35 40 5.3-14.3 10813/10751=3...(13) HE2 LYS 26 - HB3 LYS 19 far 10 96 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 10 96 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 10 96 10 - 7.6-23.7 HE2 LYS 31 - HB3 LYS 19 far 10 96 10 - 6.5-26.1 HE2 LYS 36 - HB3 LYS 24 far 10 95 10 - 3.5-25.9 HE2 LYS 26 - HB3 LYS 24 lone 8 99 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 7 99 35 21 4.8-12.9 9587/985=2, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 7 99 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 7 97 25 27 4.2-22.7 10721/10720=3, 10813/10751=2 HB2 CYS 45 - HB2 LYS 36 lone 5 64 55 14 1.8-11.9 10889/10749=3...(6) HE3 LYS 19 - HB3 LYS 26 far 5 100 5 - 8.0-25.2 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.6-18.3 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.8-18.3 HE3 LYS 36 - HB3 LYS 24 far 5 98 5 - 5.2-26.7 HE3 LYS 24 - HB2 LYS 36 far 5 95 5 - 7.5-29.6 HE2 LYS 19 - HB3 LYS 31 far 5 92 5 - 5.8-26.9 HE2 LYS 31 - HB2 LYS 36 lone 5 96 40 12 6.2-12.8 10721/10898=4, 9008/929=3 HE2 LYS 24 - HB2 LYS 36 far 4 90 5 - 6.1-29.9 HB2 CYS 45 - HB3 LYS 26 far 4 71 5 - 7.5-24.2 HE3 LYS 31 - HB2 LYS 36 lone 3 96 25 12 5.6-14.2 10840/10898=4, 9008/929=3 HE2 LYS 19 - HB3 LYS 26 far 0 98 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 97 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 64 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 95 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 64 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 625 from cnoeabs.peaks (8.39, 1.82, 32.72 ppm; 3.45 A): 4 out of 31 assignments used, quality = 1.00: * H GLN 27 + HB3 LYS 26 OK 100 100 100 100 1.9-4.2 6263=99, 6262/1.8=77...(18) H LYS 26 + HB3 LYS 26 OK 87 87 100 100 2.3-3.9 6251=80, 6250/1.8=72...(31) H LYS 24 + HB3 LYS 24 OK 82 82 100 100 2.1-3.7 3.0/482=65, 4.1=61...(20) H ASP 35 + HB2 LYS 36 OK 49 96 55 93 3.9-6.0 6387/6392=57, 10884=44...(11) H LYS 26 - HB3 LYS 31 poor 20 80 25 - 3.7-14.5 H LYS 24 - HB3 LYS 19 poor 16 78 20 - 2.4-13.6 H GLN 27 - HB3 LYS 31 far 14 96 15 - 3.4-13.1 H LYS 26 - HB3 LYS 24 far 13 84 15 - 4.4-8.0 H ASP 35 - HB3 LYS 24 far 5 99 5 - 2.6-24.1 H GLN 27 - HB3 LYS 24 far 5 99 5 - 3.5-11.0 H LYS 24 - HB3 LYS 26 far 4 85 5 - 4.8-9.9 H LYS 26 - HB3 LYS 19 far 4 80 5 - 3.0-20.1 H LYS 24 - HB3 LYS 31 far 4 78 5 - 4.1-17.4 H GLY 14 - HB3 LYS 19 far 4 72 5 - 4.3-17.1 H LYS 24 - HB2 LYS 36 far 0 78 0 - 5.1-28.9 H GLN 27 - HB3 LYS 19 far 0 96 0 - 5.7-21.2 H GLN 27 - HB2 LYS 36 far 0 96 0 - 5.7-23.8 H GLY 14 - HB3 LYS 24 far 0 75 0 - 5.9-21.7 H GLY 14 - HB3 LYS 31 far 0 71 0 - 6.0-25.0 H LYS 26 - HB2 LYS 36 far 0 80 0 - 6.2-26.0 H ASP 35 - HB3 LYS 26 far 0 100 0 - 6.3-21.5 H THR 65 - HB3 LYS 24 far 0 97 0 - 6.8-21.7 H MET 11 - HB3 LYS 19 far 0 64 0 - 7.0-22.0 H THR 65 - HB3 LYS 26 far 0 99 0 - 7.3-21.7 H ASP 35 - HB3 LYS 31 far 0 96 0 - 7.5-11.7 H HIS 3 - HB3 LYS 31 far 0 92 0 - 7.6-50.0 H THR 65 - HB3 LYS 31 far 0 93 0 - 8.2-20.6 H MET 11 - HB3 LYS 24 far 0 68 0 - 9.1-24.4 H THR 65 - HB2 LYS 36 far 0 94 0 - 9.2-19.1 H SER 74 - HB2 LYS 36 far 0 78 0 - 9.2-16.8 H HIS 3 - HB2 LYS 36 far 0 93 0 - 9.4-54.5 Violated in 0 structures by 0.00 A. Peak 626 from cnoeabs.peaks (8.37, 1.43, 24.54 ppm; 4.89 A): 5 out of 27 assignments used, quality = 1.00: * H LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-4.5 6252=100, 6250/3.0=98...(55) H GLN 27 + HG2 LYS 26 OK 87 87 100 100 2.3-4.5 5.0=95, 6262/3.0=74...(25) H LYS 24 + HG3 LYS 24 OK 82 82 100 100 1.8-4.1 6222/1.8=99, 6223=91...(29) H LYS 19 + HG3 LYS 19 OK 65 65 100 100 2.8-4.6 4.9=100 H LYS 26 + HG2 LYS 31 OK 20 83 30 80 3.2-15.2 6250/823=6, 2.9/822=6...(61) H LYS 19 - HG3 LYS 24 poor 18 59 40 75 4.0-16.3 3.0/597=5, 6159/6164=4...(65) H LYS 26 - HG3 LYS 24 poor 17 82 40 51 3.6-8.8 6245/6235=38, 6255/3.0=5...(5) H LYS 24 - HG2 LYS 31 poor 17 83 20 - 4.6-17.3 H ASP 35 - HG2 LYS 26 far 14 90 15 - 3.7-23.0 H GLN 27 - HG2 LYS 31 poor 13 66 20 - 5.4-13.4 H LYS 24 - HG3 LYS 19 far 13 88 15 - 4.5-15.4 H LYS 19 - HG2 LYS 31 far 9 60 15 - 4.7-23.1 H LYS 24 - HG2 LYS 26 poor 8 100 30 25 3.3-10.6 6228/6235=16, 424/627=3...(6) H GLN 27 - HG3 LYS 24 far 6 65 10 - 4.2-11.5 H THR 65 - HG2 LYS 26 far 5 97 5 - 5.4-21.9 H LYS 26 - HG3 LYS 19 far 4 88 5 - 4.5-22.1 H ASP 35 - HG3 LYS 24 far 3 68 5 - 3.6-26.0 H GLY 14 - HG3 LYS 19 lone 1 87 35 3 2.8-16.6 10659/1.8=1 H THR 65 - HG2 LYS 31 far 0 78 0 - 6.9-19.3 H GLY 14 - HG3 LYS 24 far 0 81 0 - 7.0-23.7 H HIS 3 - HG2 LYS 31 far 0 79 0 - 7.0-50.0 H GLN 27 - HG3 LYS 19 far 0 71 0 - 7.2-23.2 H ASP 35 - HG2 LYS 31 far 0 70 0 - 7.4-13.1 H LYS 19 - HG2 LYS 26 far 0 81 0 - 7.9-23.1 H GLY 14 - HG2 LYS 31 far 0 82 0 - 7.9-23.6 H THR 65 - HG3 LYS 24 far 0 76 0 - 8.4-23.2 H THR 65 - HG3 LYS 19 far 0 83 0 - 9.8-33.0 Violated in 0 structures by 0.00 A. Peak 627 from cnoeabs.peaks (4.27, 1.43, 24.54 ppm; 3.74 A): 4 out of 64 assignments used, quality = 1.00: * HA LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.3-4.1 4.0=79, 2.9/6252=60...(31) HA LYS 19 + HG3 LYS 19 OK 87 88 100 99 2.6-4.0 4.2=73, 3.0/6152=40...(40) HA LYS 31 + HG2 LYS 31 OK 79 80 100 100 2.1-4.2 3.8=94, ~6332=23...(25) HA THR 25 + HG2 LYS 26 OK 32 78 45 90 4.4-7.2 3.6/6252=51...(25) HA THR 25 - HG3 LYS 24 poor 20 57 35 - 3.0-7.0 HA LYS 26 - HG2 LYS 31 poor 19 83 30 76 3.2-15.5 790/3.0=5, 597=5...(37) HA LYS 19 - HG3 LYS 24 poor 18 82 40 56 1.9-15.2 597=5, 241/1.8=4...(15) HA GLN 27 - HG2 LYS 26 poor 18 71 25 - 3.0-6.8 HA ALA 15 - HG3 LYS 19 poor 15 74 20 - 3.0-14.8 HA LYS 31 - HG2 LYS 26 far 15 99 15 - 4.3-17.0 HA ALA 21 - HG3 LYS 24 poor 15 59 25 - 2.9-11.0 HA THR 25 - HG2 LYS 31 far 9 58 15 - 2.1-16.1 HA LEU 22 - HG3 LYS 24 poor 9 82 30 35 4.0-9.2 6212/6223=10...(9) HA ALA 16 - HG2 LYS 31 far 8 81 10 - 4.0-28.1 HA ARG 23 - HG2 LYS 26 poor 7 89 30 28 1.9-10.9 424/6252=3, 6240/6235=2...(9) HA ARG 23 - HG2 LYS 31 far 7 68 10 - 3.9-16.8 HA THR 18 - HG3 LYS 19 far 6 60 10 - 5.2-7.2 HA LEU 22 - HG2 LYS 26 far 5 100 5 - 4.9-13.9 HA LYS 36 - HG2 LYS 26 far 5 99 5 - 4.1-27.7 HA ALA 109 - HG2 LYS 26 far 5 99 5 - 4.3-33.1 HA GLN 61 - HG2 LYS 26 far 5 96 5 - 1.9-24.5 HA ALA 16 - HG3 LYS 19 far 4 85 5 - 5.0-11.8 HA LYS 31 - HG3 LYS 19 far 4 85 5 - 4.9-27.9 HA ALA 12 - HG3 LYS 19 far 4 74 5 - 5.2-19.0 HA ALA 15 - HG2 LYS 31 far 3 70 5 - 3.6-24.5 HA ALA 15 - HG3 LYS 24 far 3 68 5 - 5.0-22.0 HA ARG 23 - HG3 LYS 24 far 3 66 5 - 4.1-7.1 HA THR 25 - HG3 LYS 19 far 3 63 5 - 5.1-20.2 HA THR 18 - HG2 LYS 31 far 3 56 5 - 2.4-23.7 HA THR 18 - HG3 LYS 24 far 3 55 5 - 3.7-15.7 HA LYS 26 - HG3 LYS 19 far 0 88 0 - 5.3-21.7 HA LYS 36 - HG2 LYS 31 far 0 81 0 - 5.4-17.1 HA GLN 27 - HG3 LYS 24 far 0 51 0 - 5.4-13.3 HA LYS 26 - HG3 LYS 24 far 0 82 0 - 5.5-9.6 HA ALA 108 - HG3 LYS 24 far 0 78 0 - 5.6-39.9 HA LYS 19 - HG2 LYS 31 far 0 83 0 - 5.8-24.5 HA LYS 31 - HG3 LYS 24 far 0 78 0 - 6.1-18.0 HA GLN 27 - HG2 LYS 31 far 0 52 0 - 6.3-11.7 HA ALA 108 - HG2 LYS 26 far 0 99 0 - 6.4-30.9 HA ALA 110 - HG2 LYS 26 far 0 92 0 - 6.5-34.3 HA ARG 23 - HG3 LYS 19 far 0 73 0 - 6.5-15.5 HA LYS 36 - HG3 LYS 24 far 0 80 0 - 6.7-27.7 HA ALA 21 - HG2 LYS 26 far 0 81 0 - 6.9-16.4 HA ALA 16 - HG3 LYS 24 far 0 79 0 - 7.1-19.8 HA LEU 22 - HG3 LYS 19 far 0 88 0 - 7.6-11.9 HA LYS 19 - HG2 LYS 26 far 0 100 0 - 7.6-22.5 HA ALA 109 - HG3 LYS 24 far 0 78 0 - 7.6-42.1 HA ALA 110 - HG3 LYS 19 far 0 76 0 - 7.6-53.8 HA ALA 21 - HG3 LYS 19 far 0 65 0 - 7.7-10.2 HA ALA 12 - HG2 LYS 31 far 0 70 0 - 7.9-26.4 HA ALA 21 - HG2 LYS 31 far 0 60 0 - 7.9-21.0 HA LYS 36 - HG3 LYS 19 far 0 86 0 - 8.1-37.0 HA GLN 61 - HG2 LYS 31 far 0 76 0 - 8.3-22.4 HA LEU 22 - HG2 LYS 31 far 0 83 0 - 8.4-19.0 HA ALA 109 - HG3 LYS 19 far 0 85 0 - 8.5-52.9 HA GLN 61 - HG3 LYS 24 far 0 74 0 - 8.6-24.5 HA ALA 15 - HG2 LYS 26 far 0 90 0 - 8.6-26.7 HA GLN 61 - HG3 LYS 19 far 0 80 0 - 8.6-32.8 HA ALA 12 - HG3 LYS 24 far 0 68 0 - 8.7-22.6 HA GLN 27 - HG3 LYS 19 far 0 56 0 - 9.1-22.4 HA ALA 108 - HG2 LYS 31 far 0 80 0 - 9.6-32.1 HA ALA 108 - HG3 LYS 19 far 0 85 0 - 9.7-51.0 HA SER 74 - HG2 LYS 31 far 0 58 0 - 9.8-25.4 HA ALA 110 - HG3 LYS 24 far 0 70 0 - 9.8-43.9 Violated in 0 structures by 0.00 A. Peak 628 from cnoeabs.peaks (1.75, 1.43, 24.54 ppm; 3.49 A): 5 out of 24 assignments used, quality = 1.00: * HB2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 19 + HG3 LYS 19 OK 88 88 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 81 81 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG2 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HG2 LYS 26 OK 26 99 30 86 1.9-15.6 1.8/629=7, 639/1.8=6...(66) HB2 LYS 26 - HG2 LYS 31 poor 18 83 25 88 3.5-15.2 495=5, 1.8/619=4...(87) HB2 LYS 19 - HG3 LYS 24 poor 13 82 25 64 3.6-16.4 253=3, 1.8/284=3...(24) HB2 LYS 19 - HG2 LYS 31 far 8 83 10 - 3.6-24.3 HB2 ARG 23 - HG2 LYS 26 poor 7 100 25 29 2.9-13.2 433/6252=3, 3.0/627=2...(7) HB2 LYS 24 - HG3 LYS 19 far 4 87 5 - 2.7-16.0 HB2 LYS 31 - HG3 LYS 19 far 4 85 5 - 4.6-28.5 HB2 LYS 24 - HG2 LYS 31 far 4 83 5 - 4.1-17.7 HB2 LYS 26 - HG3 LYS 24 far 4 82 5 - 2.9-11.4 HB2 ARG 23 - HG2 LYS 31 far 4 82 5 - 3.9-18.6 HB2 LYS 24 - HG2 LYS 26 far 0 100 0 - 5.2-11.5 HB2 ARG 23 - HG3 LYS 24 far 0 80 0 - 5.7-8.6 HB2 LYS 26 - HG3 LYS 19 far 0 88 0 - 6.0-24.0 HB2 LYS 19 - HG2 LYS 26 far 0 100 0 - 6.0-23.9 HB2 LYS 31 - HG3 LYS 24 far 0 79 0 - 6.7-18.1 HB2 ARG 23 - HG3 LYS 19 far 0 87 0 - 7.5-15.3 HG LEU 100 - HG2 LYS 26 far 0 65 0 - 9.3-23.0 HB2 LEU 43 - HG2 LYS 26 far 0 76 0 - 9.6-29.1 HB2 LYS 39 - HG3 LYS 24 far 0 75 0 - 9.7-30.3 HB2 LYS 39 - HG3 LYS 19 far 0 82 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 629 from cnoeabs.peaks (1.82, 1.43, 24.54 ppm; 3.53 A): 6 out of 31 assignments used, quality = 1.00: * HB3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 85 85 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 80 80 100 100 2.2-3.0 2.9=100 HB3 LYS 31 + HG2 LYS 26 OK 30 99 35 86 2.5-17.3 1.8/628=6, 619=6...(69) HB3 LYS 26 + HG2 LYS 31 OK 22 83 30 87 3.6-16.1 619=6, 1.8/823=4...(100) HB ILE 32 - HG2 LYS 26 far 15 100 15 - 3.7-17.7 HB3 LYS 19 - HG3 LYS 24 poor 14 79 30 61 2.0-15.5 619=3, 3.0/282=3...(23) HB2 LYS 36 - HG2 LYS 26 far 10 100 10 - 4.0-27.3 HB3 ARG 23 - HG2 LYS 26 poor 9 100 30 29 2.0-12.6 442/6252=4, 1.8/628=2...(4) HB3 LYS 24 - HG3 LYS 19 far 9 87 10 - 3.9-16.0 HB3 ARG 23 - HG2 LYS 31 far 8 82 10 - 4.4-18.6 HB3 LYS 31 - HG3 LYS 19 far 4 85 5 - 4.5-27.7 HB2 LYS 36 - HG2 LYS 31 far 4 83 5 - 3.7-16.4 HB3 LYS 26 - HG3 LYS 24 far 4 82 5 - 3.6-11.7 HB3 LYS 24 - HG2 LYS 31 far 4 82 5 - 4.5-18.4 HB3 LYS 19 - HG2 LYS 31 far 4 81 5 - 4.2-25.3 HB3 LYS 31 - HG3 LYS 24 far 4 79 5 - 5.0-17.6 HB3 LYS 24 - HG2 LYS 26 far 0 100 0 - 5.5-11.9 HB2 LYS 36 - HG3 LYS 24 far 0 82 0 - 5.5-27.7 HB3 LYS 26 - HG3 LYS 19 far 0 88 0 - 5.6-24.0 HB3 ARG 23 - HG3 LYS 24 far 0 81 0 - 6.1-8.0 HB ILE 32 - HG2 LYS 31 far 0 83 0 - 6.4-8.5 HB3 LYS 19 - HG2 LYS 26 far 0 99 0 - 6.8-23.3 HB ILE 32 - HG3 LYS 24 far 0 82 0 - 6.8-18.6 HB2 CYS 79 - HG3 LYS 19 far 0 67 0 - 7.5-38.9 HB3 LEU 122 - HG3 LYS 24 far 0 51 0 - 7.8-29.5 HB3 ARG 23 - HG3 LYS 19 far 0 87 0 - 8.1-15.4 HB3 LEU 103 - HG2 LYS 26 far 0 68 0 - 8.4-24.6 HB2 LEU 100 - HG2 LYS 26 far 0 100 0 - 9.8-23.7 HB ILE 32 - HG3 LYS 19 far 0 88 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 630 from cnoeabs.peaks (1.43, 1.43, 24.54 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 26 + HG2 LYS 26 OK 100 100 - 100 HG3 LYS 19 + HG3 LYS 19 OK 82 82 - 100 HG2 LYS 31 + HG2 LYS 31 OK 79 79 - 100 HG3 LYS 24 + HG3 LYS 24 OK 73 73 - 100 Peak 631 from cnoeabs.peaks (1.38, 1.43, 24.54 ppm; 2.50 A): 4 out of 52 assignments used, quality = 1.00: * HG3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 82 82 100 100 1.8-1.8 1.8=100 HG3 LYS 31 + HG2 LYS 31 OK 79 79 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 73 73 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 31 far 12 83 15 - 2.8-9.3 QB ALA 12 - HG3 LYS 19 far 9 63 15 - 2.7-16.5 QB ALA 15 - HG3 LYS 19 far 4 88 5 - 2.8-13.3 QB ALA 15 - HG2 LYS 31 far 4 83 5 - 2.6-22.0 HG3 LYS 26 - HG2 LYS 31 far 4 83 5 - 3.8-16.9 QB ALA 15 - HG3 LYS 24 far 4 82 5 - 2.8-17.3 QB ALA 29 - HG3 LYS 24 far 4 82 5 - 3.5-13.3 QB ALA 28 - HG3 LYS 24 far 4 82 5 - 3.9-12.7 QB ALA 108 - HG3 LYS 24 far 4 81 5 - 3.1-32.2 HG2 LYS 19 - HG3 LYS 24 far 3 66 5 - 2.1-17.9 QB ALA 16 - HG3 LYS 19 far 3 60 5 - 3.6-10.3 HG2 LYS 24 - HG3 LYS 19 far 0 88 0 - 4.1-17.9 QB ALA 110 - HG2 LYS 26 far 0 100 0 - 4.2-29.3 QB ALA 16 - HG2 LYS 31 far 0 56 0 - 4.4-24.2 HG3 LYS 26 - HG3 LYS 24 far 0 82 0 - 4.4-11.5 HG3 LYS 31 - HG3 LYS 19 far 0 84 0 - 4.5-25.5 QB ALA 29 - HG2 LYS 31 far 0 83 0 - 4.5-9.2 QB ALA 28 - HG3 LYS 19 far 0 88 0 - 4.5-20.6 HG3 LYS 31 - HG2 LYS 26 far 0 98 0 - 4.7-16.4 HG2 LYS 24 - HG2 LYS 26 far 0 100 0 - 4.7-11.2 QB ALA 108 - HG2 LYS 26 far 0 100 0 - 4.8-24.8 QB ALA 16 - HG3 LYS 24 far 0 55 0 - 4.9-17.0 QB ALA 12 - HG2 LYS 31 far 0 58 0 - 5.1-21.9 HG3 LYS 95 - HG3 LYS 24 far 0 81 0 - 5.2-35.5 HG2 LYS 24 - HG2 LYS 31 far 0 83 0 - 5.6-17.7 HG2 LYS 19 - HG2 LYS 31 far 0 68 0 - 5.6-25.5 QB ALA 109 - HG2 LYS 26 far 0 99 0 - 5.6-28.0 HG3 LYS 31 - HG3 LYS 24 far 0 77 0 - 5.7-17.0 QB ALA 28 - HG2 LYS 26 far 0 100 0 - 5.9-8.4 QB ALA 29 - HG2 LYS 26 far 0 100 0 - 6.0-10.1 QB ALA 109 - HG3 LYS 19 far 0 85 0 - 6.0-42.7 HG2 LYS 36 - HG3 LYS 24 far 0 82 0 - 6.1-25.7 HG2 LYS 95 - HG3 LYS 24 far 0 80 0 - 6.2-35.3 HG2 LYS 36 - HG2 LYS 31 far 0 83 0 - 6.3-14.0 HG2 LYS 36 - HG2 LYS 26 far 0 100 0 - 6.3-25.0 QB ALA 12 - HG3 LYS 24 far 0 57 0 - 6.4-17.3 QB ALA 110 - HG3 LYS 19 far 0 88 0 - 7.3-45.2 QB ALA 109 - HG3 LYS 24 far 0 79 0 - 7.4-33.8 QB ALA 29 - HG3 LYS 19 far 0 88 0 - 7.7-21.6 HG3 LYS 26 - HG3 LYS 19 far 0 88 0 - 7.8-23.7 HG2 LYS 36 - HG3 LYS 19 far 0 88 0 - 8.2-34.3 QB ALA 15 - HG2 LYS 26 far 0 100 0 - 8.2-21.4 HG2 LYS 19 - HG2 LYS 26 far 0 89 0 - 8.7-25.7 QB ALA 108 - HG2 LYS 31 far 0 83 0 - 8.8-25.8 QB ALA 108 - HG3 LYS 19 far 0 87 0 - 8.8-41.7 QB ALA 16 - HG2 LYS 26 far 0 76 0 - 9.4-22.0 QB ALA 110 - HG3 LYS 24 far 0 82 0 - 9.6-37.0 QB ALA 12 - HG2 LYS 26 far 0 78 0 - 9.8-21.9 Violated in 0 structures by 0.00 A. Peak 632 from cnoeabs.peaks (1.66, 1.43, 24.54 ppm; 3.90 A): 8 out of 45 assignments used, quality = 1.00: * HD2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 82 82 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 82 82 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HG2 LYS 31 poor 20 83 25 95 4.2-17.6 3.5/823=4, 3.5/989=3...(144) HD3 LYS 19 - HG3 LYS 24 poor 19 75 25 - 2.0-17.8 HD2 LYS 19 - HG3 LYS 24 poor 19 75 25 - 2.7-16.7 HD3 LYS 24 - HG3 LYS 19 poor 16 88 25 75 4.4-17.3 2632/3.0=2, 307/1.8=2...(28) HD2 LYS 24 - HG3 LYS 19 far 13 88 15 - 4.4-17.3 HD3 LYS 31 - HG2 LYS 26 far 10 100 10 - 4.2-16.2 HD2 LYS 26 - HG2 LYS 31 far 8 83 10 - 3.5-18.0 HD3 LYS 24 - HG2 LYS 26 far 5 100 5 - 3.7-12.2 HD2 LYS 31 - HG2 LYS 26 far 5 100 5 - 5.0-16.2 HD2 LYS 24 - HG2 LYS 26 far 5 100 5 - 5.1-12.8 HD2 LYS 36 - HG2 LYS 26 far 5 97 5 - 5.1-23.1 HB2 LEU 98 - HG3 LYS 24 far 4 78 5 - 3.2-36.3 HD3 LYS 36 - HG2 LYS 31 far 4 78 5 - 5.3-13.7 HD2 LYS 36 - HG3 LYS 24 far 4 76 5 - 5.1-23.7 HD2 LYS 24 - HG2 LYS 31 far 0 83 0 - 5.5-17.2 HD3 LYS 19 - HG2 LYS 31 far 0 77 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 77 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 97 0 - 5.7-24.0 HD3 LYS 26 - HG3 LYS 24 far 0 82 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 78 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 82 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 83 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 76 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 88 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 82 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 88 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 99 0 - 7.1-30.0 HB2 LEU 69 - HG2 LYS 31 far 0 79 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 82 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 88 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 82 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 80 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 65 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 96 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 633 from cnoeabs.peaks (1.66, 1.43, 24.54 ppm; 3.90 A): 8 out of 45 assignments used, quality = 1.00: * HD3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 82 82 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HG2 LYS 31 poor 20 83 25 95 4.2-17.6 3.5/823=4, 3.5/989=3...(144) HD3 LYS 19 - HG3 LYS 24 poor 19 77 25 - 2.0-17.8 HD2 LYS 19 - HG3 LYS 24 poor 19 77 25 - 2.7-16.7 HD3 LYS 24 - HG3 LYS 19 poor 16 88 25 75 4.4-17.3 2632/3.0=2, 307/1.8=2...(28) HD2 LYS 24 - HG3 LYS 19 far 13 87 15 - 4.4-17.3 HD3 LYS 31 - HG2 LYS 26 far 10 100 10 - 4.2-16.2 HD2 LYS 26 - HG2 LYS 31 far 8 83 10 - 3.5-18.0 HD3 LYS 24 - HG2 LYS 26 far 5 100 5 - 3.7-12.2 HD2 LYS 31 - HG2 LYS 26 far 5 100 5 - 5.0-16.2 HD2 LYS 24 - HG2 LYS 26 far 5 100 5 - 5.1-12.8 HD2 LYS 36 - HG2 LYS 26 far 5 96 5 - 5.1-23.1 HB2 LEU 98 - HG3 LYS 24 far 4 80 5 - 3.2-36.3 HD3 LYS 36 - HG2 LYS 31 far 4 76 5 - 5.3-13.7 HD2 LYS 36 - HG3 LYS 24 far 4 74 5 - 5.1-23.7 HD2 LYS 24 - HG2 LYS 31 far 0 83 0 - 5.5-17.2 HD3 LYS 19 - HG2 LYS 31 far 0 79 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 79 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 96 0 - 5.7-24.0 HD3 LYS 26 - HG3 LYS 24 far 0 82 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 76 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 82 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 83 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 74 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 88 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 81 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 87 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 99 0 - 7.1-30.0 HB2 LEU 69 - HG2 LYS 31 far 0 77 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 82 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 88 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 82 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 81 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 61 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 98 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 98 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 97 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 634 from cnoeabs.peaks (2.97, 1.43, 24.54 ppm; 4.54 A): 8 out of 41 assignments used, quality = 1.00: * HE2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.0-4.0 3.6=100 HE3 LYS 19 + HG3 LYS 19 OK 87 87 100 100 2.3-3.8 3.8=100 HE2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.3-4.0 3.8=100 HE3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.1-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.3-4.1 3.7=100 HE3 LYS 24 + HG3 LYS 24 OK 80 80 100 100 2.2-4.2 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 74 74 100 100 2.0-3.9 4.0=100 HE2 LYS 19 - HG3 LYS 24 poor 19 77 25 - 3.7-17.8 HE3 LYS 24 - HG3 LYS 19 poor 17 86 20 - 4.8-19.1 HE3 LYS 26 - HG2 LYS 31 poor 17 83 20 - 5.3-19.4 HE2 LYS 24 - HG3 LYS 19 poor 16 80 20 - 3.4-18.5 HE2 LYS 31 - HG2 LYS 26 far 15 100 15 - 5.4-15.0 HE2 LYS 36 - HG2 LYS 31 far 12 78 15 - 4.9-14.4 HE3 LYS 19 - HG3 LYS 24 poor 11 81 25 53 4.5-18.1 5.1/525=2, 5.1/284=2...(5) HE2 LYS 26 - HG2 LYS 31 far 8 83 10 - 3.8-19.7 HE3 LYS 36 - HG2 LYS 31 far 8 81 10 - 5.4-14.2 HE3 LYS 31 - HG2 LYS 26 far 5 100 5 - 6.0-14.4 HE3 LYS 24 - HG2 LYS 26 far 5 99 5 - 6.0-13.5 HE2 LYS 24 - HG2 LYS 26 far 5 96 5 - 5.9-13.2 HE3 LYS 24 - HG2 LYS 31 far 4 81 5 - 4.0-19.0 HE3 LYS 36 - HG3 LYS 24 far 4 80 5 - 4.8-25.5 HE2 LYS 36 - HG2 LYS 26 lone 4 97 30 13 4.1-24.5 10757/908=1 HE2 LYS 36 - HG3 LYS 24 far 4 76 5 - 3.2-24.6 HE2 LYS 24 - HG2 LYS 31 far 4 76 5 - 3.3-18.4 HE3 LYS 36 - HG2 LYS 26 lone 3 99 25 11 3.8-24.9 10757/908=2 HE3 LYS 26 - HG3 LYS 24 far 0 82 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 82 0 - 6.7-12.9 HB3 ASN 121 - HG3 LYS 24 far 0 79 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 88 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 52 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 83 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 87 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 79 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 71 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 82 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 81 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 88 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 51 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 86 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 635 from cnoeabs.peaks (2.97, 1.43, 24.54 ppm; 4.54 A): 8 out of 41 assignments used, quality = 1.00: HE2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.0-3.9 3.6=100 * HE3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.0-4.0 3.6=100 HE3 LYS 19 + HG3 LYS 19 OK 87 87 100 100 2.3-3.8 3.8=100 HE2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.3-4.0 3.8=100 HE3 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.1-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 83 83 100 100 2.3-4.1 3.7=100 HE3 LYS 24 + HG3 LYS 24 OK 80 80 100 100 2.2-4.2 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 74 74 100 100 2.0-3.9 4.0=100 HE2 LYS 19 - HG3 LYS 24 poor 19 77 25 - 3.7-17.8 HE3 LYS 24 - HG3 LYS 19 poor 17 86 20 - 4.8-19.1 HE3 LYS 26 - HG2 LYS 31 poor 17 83 20 - 5.3-19.4 HE2 LYS 24 - HG3 LYS 19 poor 16 80 20 - 3.4-18.5 HE2 LYS 31 - HG2 LYS 26 far 15 100 15 - 5.4-15.0 HE2 LYS 36 - HG2 LYS 31 far 12 78 15 - 4.9-14.4 HE3 LYS 19 - HG3 LYS 24 poor 11 81 25 53 4.5-18.1 5.1/525=2, 5.1/284=2...(5) HE2 LYS 26 - HG2 LYS 31 far 8 83 10 - 3.8-19.7 HE3 LYS 36 - HG2 LYS 31 far 8 81 10 - 5.4-14.2 HE3 LYS 31 - HG2 LYS 26 far 5 100 5 - 6.0-14.4 HE3 LYS 24 - HG2 LYS 26 far 5 99 5 - 6.0-13.5 HE2 LYS 24 - HG2 LYS 26 far 5 96 5 - 5.9-13.2 HE3 LYS 24 - HG2 LYS 31 far 4 81 5 - 4.0-19.0 HE3 LYS 36 - HG3 LYS 24 far 4 80 5 - 4.8-25.5 HE2 LYS 36 - HG2 LYS 26 lone 4 97 30 13 4.1-24.5 10757/908=1 HE2 LYS 36 - HG3 LYS 24 far 4 76 5 - 3.2-24.6 HE2 LYS 24 - HG2 LYS 31 far 4 76 5 - 3.3-18.4 HE3 LYS 36 - HG2 LYS 26 lone 3 99 25 11 3.8-24.9 10757/908=2 HE3 LYS 26 - HG3 LYS 24 far 0 82 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 82 0 - 6.7-12.9 HB3 ASN 121 - HG3 LYS 24 far 0 79 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 88 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 52 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 83 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 87 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 79 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 71 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 82 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 81 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 88 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 51 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 86 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 636 from cnoeabs.peaks (8.39, 1.43, 24.54 ppm; 4.74 A): 3 out of 25 assignments used, quality = 1.00: * H GLN 27 + HG2 LYS 26 OK 100 100 100 100 2.3-4.5 6262/3.0=90, 6263/3.0=88...(26) H LYS 26 + HG2 LYS 26 OK 87 87 100 100 2.2-4.5 4.9=89, 6250/3.0=77...(55) H LYS 24 + HG3 LYS 24 OK 63 63 100 100 1.8-4.1 5.1=82, 3.0/484=81...(29) H GLY 14 - HG3 LYS 19 poor 19 63 30 - 2.8-16.6 H GLN 27 - HG2 LYS 31 poor 17 83 20 - 5.4-13.4 H LYS 26 - HG2 LYS 31 poor 17 66 25 - 3.2-15.2 H ASP 35 - HG2 LYS 26 far 15 100 15 - 3.7-23.0 H LYS 24 - HG2 LYS 31 poor 13 64 20 - 4.6-17.3 H LYS 24 - HG3 LYS 19 far 10 69 15 - 4.5-15.4 H LYS 26 - HG3 LYS 24 poor 9 65 35 41 3.6-8.8 6245/6235=29, 3.6/282=5...(5) H GLN 27 - HG3 LYS 24 far 8 82 10 - 4.2-11.5 H MET 11 - HG3 LYS 19 far 6 56 10 - 5.2-21.0 H THR 65 - HG2 LYS 26 far 5 99 5 - 5.4-21.9 H LYS 24 - HG2 LYS 26 lone 4 85 25 20 3.3-10.6 6228/6235=12, 3.6/627=2...(6) H ASP 35 - HG3 LYS 24 far 4 82 5 - 3.6-26.0 H LYS 26 - HG3 LYS 19 far 4 71 5 - 4.5-22.1 H THR 65 - HG2 LYS 31 far 0 80 0 - 6.9-19.3 H GLY 14 - HG3 LYS 24 far 0 57 0 - 7.0-23.7 H HIS 3 - HG2 LYS 31 far 0 79 0 - 7.0-50.0 H GLN 27 - HG3 LYS 19 far 0 88 0 - 7.2-23.2 H ASP 35 - HG2 LYS 31 far 0 83 0 - 7.4-13.1 H GLY 14 - HG2 LYS 31 far 0 58 0 - 7.9-23.6 H THR 65 - HG3 LYS 24 far 0 78 0 - 8.4-23.2 H MET 11 - HG3 LYS 24 far 0 51 0 - 9.2-26.2 H THR 65 - HG3 LYS 19 far 0 85 0 - 9.8-33.0 Violated in 0 structures by 0.00 A. Peak 637 from cnoeabs.peaks (8.37, 1.38, 24.54 ppm; 4.45 A): 6 out of 33 assignments used, quality = 1.00: * H LYS 26 + HG3 LYS 26 OK 100 100 100 100 1.7-4.7 6252/1.8=94, 6250/3.0=92...(49) H LYS 24 + HG2 LYS 24 OK 99 99 100 100 1.9-4.3 6222=99, 6223/1.8=94...(31) H GLN 27 + HG3 LYS 26 OK 87 87 100 100 2.1-4.5 5.0=72, 6262/3.0=67...(26) H LYS 19 + HG2 LYS 19 OK 48 48 100 100 1.8-4.0 4.9=76, 6149/3.0=64...(50) H ASP 35 + HG2 LYS 36 OK 45 49 95 97 3.7-6.5 6387/6394=67...(15) H LYS 26 + HG2 LYS 24 OK 22 99 30 74 1.9-8.6 6245/6234=56...(6) H LYS 19 - HG2 LYS 24 poor 19 78 25 - 5.1-16.6 H LYS 26 - HG3 LYS 31 poor 16 83 25 75 4.5-14.1 6251/620=5, 6250/804=4...(57) H LYS 24 - HG2 LYS 19 far 10 68 15 - 4.5-15.9 H GLN 27 - HG3 LYS 31 far 10 66 15 - 5.2-12.2 H GLN 27 - HG2 LYS 24 far 8 84 10 - 3.2-11.1 H LYS 24 - HG3 LYS 31 far 8 83 10 - 4.9-16.5 H LYS 24 - HG3 LYS 26 poor 7 100 25 30 3.8-10.2 6228/522=22, 424/638=2...(6) H LYS 19 - HG3 LYS 31 far 6 60 10 - 3.4-22.7 H THR 65 - HG3 LYS 26 far 5 97 5 - 4.5-22.4 H ASP 35 - HG3 LYS 26 far 5 90 5 - 3.7-22.6 H ASP 35 - HG2 LYS 24 far 4 88 5 - 4.7-26.9 H LYS 26 - HG2 LYS 19 far 3 68 5 - 5.3-22.5 H LYS 19 - HG2 LYS 36 far 2 42 5 - 5.0-32.6 H GLY 14 - HG2 LYS 19 lone 2 67 40 6 3.6-15.4 6106/10654=1...(3) H THR 65 - HG3 LYS 31 far 0 78 0 - 6.5-19.7 H ASP 35 - HG3 LYS 31 far 0 70 0 - 6.5-12.8 H THR 65 - HG2 LYS 24 far 0 95 0 - 6.7-22.9 H LYS 24 - HG2 LYS 36 far 0 60 0 - 7.1-26.7 H GLY 14 - HG3 LYS 31 far 0 82 0 - 7.3-24.9 H GLY 14 - HG2 LYS 24 far 0 99 0 - 7.4-24.1 H GLN 27 - HG2 LYS 36 far 0 46 0 - 7.6-21.6 H LYS 19 - HG3 LYS 26 far 0 81 0 - 7.6-21.9 H GLN 27 - HG2 LYS 19 far 0 53 0 - 8.1-23.6 H THR 65 - HG2 LYS 36 far 0 55 0 - 8.4-18.7 H HIS 3 - HG3 LYS 31 far 0 79 0 - 8.4-51.7 H LYS 26 - HG2 LYS 36 far 0 60 0 - 8.5-23.7 H HIS 3 - HG3 LYS 26 far 0 98 0 - 9.1-55.1 Violated in 0 structures by 0.00 A. Peak 638 from cnoeabs.peaks (4.27, 1.38, 24.54 ppm; 3.80 A): 10 out of 78 assignments used, quality = 1.00: * HA LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.6-3.9 4.0=83, 2.9/6253=55...(32) HA LYS 31 + HG3 LYS 31 OK 79 80 100 100 2.0-4.2 3.8=100 HA LYS 19 + HG2 LYS 19 OK 67 68 100 99 2.3-3.7 4.2=77, 3.0/6151=41...(42) HA LYS 36 + HG2 LYS 36 OK 58 58 100 100 2.3-3.8 4.1=78, 3.0/6394=61...(32) HA THR 25 + HG3 LYS 26 OK 46 78 65 91 3.0-7.7 3.6/6253=47, 11150=24...(23) HA THR 25 + HG2 LYS 24 OK 33 76 45 96 3.0-6.9 3.0/6234=46, ~6232=22...(28) HA ARG 23 + HG2 LYS 24 OK 32 86 50 74 4.1-6.9 3.6/6222=57...(12) HA THR 18 + HG2 LYS 19 OK 27 44 70 88 4.0-7.3 3.6/6151=35...(18) HA LYS 19 + HG2 LYS 24 OK 25 99 35 73 2.2-15.3 793=5, 822/1.8=5...(49) HA LEU 22 + HG2 LYS 24 OK 20 99 50 41 2.7-8.4 6212/6222=13...(10) HA GLN 27 - HG3 LYS 26 poor 20 71 30 94 2.8-6.8 3.0/6265=32, ~6262=26...(23) HA LYS 31 - HG3 LYS 26 poor 20 99 20 - 4.5-16.0 HA ALA 21 - HG2 LYS 24 poor 19 78 25 - 2.3-10.7 HA LYS 26 - HG3 LYS 31 poor 17 83 25 80 2.3-14.5 822/1.8=6, 790/3.0=6...(43) HA ARG 23 - HG3 LYS 26 poor 16 89 35 50 2.4-10.6 4.9/10729=25, 6240/522=4...(8) HA ALA 15 - HG2 LYS 19 poor 11 56 20 - 2.8-13.4 HA LYS 36 - HG3 LYS 26 far 10 99 10 - 4.9-27.4 HA THR 25 - HG3 LYS 31 far 9 58 15 - 3.6-15.1 HA ALA 16 - HG3 LYS 31 far 8 81 10 - 5.0-27.2 HA ARG 23 - HG3 LYS 31 far 7 68 10 - 5.1-16.2 HA LYS 26 - HG2 LYS 24 far 5 99 5 - 4.2-10.1 HA GLN 61 - HG3 LYS 26 far 5 96 5 - 2.5-25.1 HA THR 18 - HG2 LYS 24 far 4 73 5 - 3.6-15.8 HA ALA 15 - HG3 LYS 31 far 3 70 5 - 5.0-26.0 HA ALA 16 - HG2 LYS 19 far 3 65 5 - 4.7-10.8 HA LYS 31 - HG2 LYS 19 far 3 65 5 - 4.9-26.6 HA THR 18 - HG3 LYS 31 far 3 56 5 - 3.2-23.1 HA ALA 21 - HG2 LYS 36 far 2 42 5 - 4.7-28.9 HA THR 18 - HG2 LYS 36 far 2 39 5 - 4.1-34.5 HA ALA 12 - HG2 LYS 19 far 0 56 0 - 5.5-18.1 HA LYS 19 - HG3 LYS 31 far 0 83 0 - 5.5-23.5 HA GLN 27 - HG2 LYS 36 far 0 35 0 - 5.8-19.4 HA ALA 108 - HG2 LYS 24 far 0 97 0 - 5.9-39.9 HA LYS 36 - HG3 LYS 31 far 0 81 0 - 5.9-16.7 HA ALA 109 - HG3 LYS 26 far 0 99 0 - 6.0-34.4 HA GLN 27 - HG2 LYS 24 far 0 68 0 - 6.0-12.9 HA LYS 26 - HG2 LYS 19 far 0 68 0 - 6.3-22.3 HA ALA 15 - HG2 LYS 24 far 0 88 0 - 6.3-22.5 HA LEU 22 - HG2 LYS 19 far 0 68 0 - 6.4-12.3 HA ARG 23 - HG2 LYS 19 far 0 54 0 - 6.4-16.2 HA LYS 19 - HG2 LYS 36 far 0 60 0 - 6.5-33.1 HA LEU 22 - HG3 LYS 26 far 0 100 0 - 6.5-13.0 HA THR 25 - HG2 LYS 19 far 0 46 0 - 6.5-20.7 HA ALA 16 - HG2 LYS 36 far 0 58 0 - 6.5-33.7 HA ALA 110 - HG2 LYS 19 far 0 57 0 - 6.6-54.1 HA LYS 31 - HG2 LYS 24 far 0 97 0 - 6.7-19.6 HA GLN 27 - HG3 LYS 31 far 0 52 0 - 6.7-11.3 HA GLN 61 - HG2 LYS 24 far 0 93 0 - 6.9-23.9 HA LYS 36 - HG2 LYS 24 far 0 98 0 - 7.0-29.4 HA ALA 109 - HG2 LYS 24 far 0 97 0 - 7.0-42.1 HA ALA 21 - HG2 LYS 19 far 0 48 0 - 7.0-10.1 HA LYS 31 - HG2 LYS 36 far 0 57 0 - 7.1-11.7 HA ALA 12 - HG3 LYS 31 far 0 70 0 - 7.2-27.9 HA THR 25 - HG2 LYS 36 far 0 40 0 - 7.3-23.3 HA LYS 26 - HG2 LYS 36 far 0 60 0 - 7.4-22.3 HA LYS 36 - HG2 LYS 19 far 0 66 0 - 7.5-37.3 HA ALA 108 - HG3 LYS 26 far 0 99 0 - 7.5-32.5 HA GLN 61 - HG3 LYS 31 far 0 76 0 - 7.6-22.6 HA ALA 15 - HG3 LYS 26 far 0 90 0 - 7.7-25.9 HA ALA 110 - HG3 LYS 26 far 0 92 0 - 7.7-35.7 HA LEU 22 - HG3 LYS 31 far 0 83 0 - 7.8-18.5 HA ALA 21 - HG3 LYS 26 far 0 81 0 - 7.8-15.9 HA ALA 108 - HG3 LYS 31 far 0 80 0 - 7.9-31.1 HA ALA 109 - HG2 LYS 19 far 0 65 0 - 7.9-53.1 HA LYS 19 - HG3 LYS 26 far 0 100 0 - 8.0-21.2 HA ALA 15 - HG2 LYS 36 far 0 49 0 - 8.0-30.5 HA ALA 16 - HG2 LYS 24 far 0 97 0 - 8.0-20.4 HA ALA 12 - HG2 LYS 24 far 0 88 0 - 8.0-22.3 HA ARG 23 - HG2 LYS 36 far 0 47 0 - 8.2-26.0 HA SER 74 - HG3 LYS 31 far 0 58 0 - 8.3-24.6 HA ALA 21 - HG3 LYS 31 far 0 60 0 - 8.3-20.2 HA LEU 22 - HG2 LYS 36 far 0 60 0 - 9.0-29.7 HA GLN 61 - HG2 LYS 19 far 0 61 0 - 9.1-33.2 HA GLN 61 - HG2 LYS 36 far 0 53 0 - 9.6-21.9 HA ALA 108 - HG2 LYS 19 far 0 65 0 - 9.6-51.1 HA GLN 27 - HG2 LYS 19 far 0 41 0 - 9.7-23.1 HA ALA 110 - HG2 LYS 24 far 0 89 0 - 9.8-43.7 HA ALA 16 - HG3 LYS 26 far 0 99 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 639 from cnoeabs.peaks (1.75, 1.38, 24.54 ppm; 3.57 A): 5 out of 29 assignments used, quality = 1.00: * HB2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG3 LYS 31 OK 81 81 100 100 2.4-3.0 3.0=100 HB2 LYS 19 + HG2 LYS 19 OK 68 68 100 100 2.3-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 26 OK 35 99 40 88 2.0-14.6 804=9, 628/1.8=6...(73) HB2 ARG 23 - HG3 LYS 26 poor 20 100 20 - 3.9-12.1 HB2 LYS 19 - HG2 LYS 24 poor 20 99 20 - 3.7-16.8 HB2 LYS 26 - HG3 LYS 31 poor 17 83 20 - 3.1-14.0 HB2 LYS 24 - HG2 LYS 19 poor 13 67 20 - 3.4-16.9 HB2 LYS 19 - HG3 LYS 31 far 8 83 10 - 2.7-23.1 HB2 LYS 24 - HG3 LYS 31 far 8 83 10 - 3.7-17.1 HB2 LYS 26 - HG2 LYS 24 far 5 99 5 - 2.2-11.2 HB2 ARG 23 - HG2 LYS 24 far 5 98 5 - 4.4-8.4 HB2 ARG 23 - HG3 LYS 31 far 4 82 5 - 4.2-17.9 HB2 LYS 24 - HG2 LYS 36 far 3 60 5 - 4.2-27.3 HB2 LYS 31 - HG2 LYS 19 far 0 65 0 - 5.2-27.3 HB2 LYS 24 - HG3 LYS 26 far 0 100 0 - 5.4-11.1 HB2 LYS 26 - HG2 LYS 36 far 0 60 0 - 5.5-22.8 HB2 LYS 31 - HG2 LYS 24 far 0 97 0 - 5.6-19.7 HB2 LYS 19 - HG3 LYS 26 far 0 100 0 - 6.0-22.5 HB2 LYS 26 - HG2 LYS 19 far 0 68 0 - 6.4-24.5 HB2 LYS 31 - HG2 LYS 36 far 0 58 0 - 6.5-12.1 HB2 ARG 23 - HG2 LYS 36 far 0 59 0 - 6.8-24.5 HB2 LYS 19 - HG2 LYS 36 far 0 60 0 - 7.3-32.2 HB2 ARG 23 - HG2 LYS 19 far 0 67 0 - 7.6-15.2 HB2 LYS 39 - HG2 LYS 24 far 0 94 0 - 8.0-31.6 HB2 LEU 43 - HG2 LYS 24 far 0 73 0 - 8.6-30.2 HB2 LYS 39 - HG2 LYS 36 far 0 54 0 - 9.5-14.0 HB2 LEU 43 - HG2 LYS 36 far 0 39 0 - 9.7-17.3 Violated in 0 structures by 0.00 A. Peak 640 from cnoeabs.peaks (1.82, 1.38, 24.54 ppm; 3.51 A): 7 out of 38 assignments used, quality = 1.00: * HB3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.3-3.0 2.9=100 HB3 LYS 31 + HG3 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 65 65 100 100 2.5-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 26 OK 32 99 40 82 2.2-16.3 1.8/639=6, 620=6...(67) HB3 LYS 26 + HG3 LYS 31 OK 22 83 30 88 3.3-14.9 620=5, 989/1.8=4, ~823=3...(106) HB3 ARG 23 - HG3 LYS 26 poor 20 100 20 - 2.7-12.0 HB3 LYS 19 - HG2 LYS 24 poor 19 97 20 - 2.0-15.9 HB ILE 32 - HG2 LYS 36 poor 18 60 30 - 3.5-7.7 HB3 LYS 24 - HG2 LYS 19 far 10 67 15 - 3.4-16.0 HB ILE 32 - HG3 LYS 26 far 10 100 10 - 3.9-17.4 HB ILE 32 - HG3 LYS 31 far 8 83 10 - 4.7-8.2 HB3 ARG 23 - HG3 LYS 31 far 8 82 10 - 4.3-17.8 HB2 LYS 36 - HG3 LYS 26 far 5 100 5 - 4.6-27.1 HB3 LYS 26 - HG2 LYS 24 far 5 99 5 - 2.9-11.3 HB2 LYS 36 - HG3 LYS 31 far 4 83 5 - 3.8-16.2 HB3 LYS 24 - HG3 LYS 31 far 4 82 5 - 4.8-17.7 HB3 LYS 19 - HG3 LYS 31 far 4 81 5 - 3.7-24.3 HB3 LYS 31 - HG2 LYS 19 far 3 65 5 - 4.7-26.5 HB3 LYS 24 - HG2 LYS 36 far 3 59 5 - 4.9-26.5 HB3 LYS 31 - HG2 LYS 24 far 0 97 0 - 5.1-19.1 HB3 ARG 23 - HG2 LYS 24 far 0 99 0 - 5.3-7.8 HB3 LYS 24 - HG3 LYS 26 far 0 100 0 - 5.4-11.5 HB2 LYS 36 - HG2 LYS 24 far 0 99 0 - 5.6-29.5 HB3 LYS 26 - HG2 LYS 19 far 0 68 0 - 6.0-24.6 HB3 ARG 23 - HG2 LYS 36 far 0 59 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 60 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 99 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 99 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 58 0 - 7.5-13.3 HB3 LYS 19 - HG2 LYS 36 far 0 58 0 - 8.2-32.7 HB3 ARG 23 - HG2 LYS 19 far 0 67 0 - 8.4-16.3 HB2 CYS 79 - HG2 LYS 36 far 0 43 0 - 8.7-18.1 HB2 CYS 79 - HG2 LYS 19 far 0 49 0 - 8.9-38.4 HB3 LEU 122 - HG2 LYS 24 far 0 68 0 - 9.0-29.6 HB2 LYS 36 - HG2 LYS 19 far 0 68 0 - 9.5-36.6 HB3 LEU 103 - HG3 LYS 26 far 0 68 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 641 from cnoeabs.peaks (1.43, 1.38, 24.54 ppm; 2.50 A): 4 out of 34 assignments used, quality = 1.00: * HG2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 79 79 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 62 62 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 10 99 10 - 2.6-15.5 HG2 LYS 31 - HG3 LYS 26 far 5 98 5 - 3.8-16.9 HG13 ILE 32 - HG3 LYS 31 far 4 81 5 - 3.5-8.4 HG3 LYS 24 - HG2 LYS 19 far 3 60 5 - 2.1-17.9 QB ALA 16 - HG2 LYS 19 far 2 35 5 - 3.2-9.4 HG3 LYS 19 - HG2 LYS 24 far 0 94 0 - 4.1-17.9 QB ALA 16 - HG3 LYS 31 far 0 46 0 - 4.4-23.6 HG3 LYS 24 - HG3 LYS 26 far 0 95 0 - 4.4-11.5 HG3 LYS 19 - HG3 LYS 31 far 0 77 0 - 4.5-25.5 HG2 LYS 26 - HG3 LYS 31 far 0 83 0 - 4.7-16.4 HG2 LYS 26 - HG2 LYS 24 far 0 99 0 - 4.7-11.2 QB ALA 34 - HG2 LYS 36 far 0 51 0 - 4.7-7.2 QB ALA 34 - HG2 LYS 24 far 0 91 0 - 5.4-22.7 QB ALA 34 - HG3 LYS 26 far 0 93 0 - 5.5-19.0 HG13 ILE 32 - HG2 LYS 36 far 0 58 0 - 5.5-9.7 HG2 LYS 31 - HG2 LYS 24 far 0 96 0 - 5.6-17.7 HG2 LYS 31 - HG2 LYS 19 far 0 64 0 - 5.6-25.5 QB ALA 16 - HG2 LYS 36 far 0 31 0 - 5.7-27.0 HG3 LYS 24 - HG3 LYS 31 far 0 74 0 - 5.7-17.0 QB ALA 16 - HG2 LYS 24 far 0 60 0 - 6.0-17.7 HG3 LYS 24 - HG2 LYS 36 far 0 52 0 - 6.1-25.7 HG2 LYS 31 - HG2 LYS 36 far 0 56 0 - 6.3-14.0 HG2 LYS 26 - HG2 LYS 36 far 0 60 0 - 6.3-25.0 HG13 ILE 32 - HG2 LYS 24 far 0 98 0 - 7.5-18.3 QB ALA 34 - HG3 LYS 31 far 0 73 0 - 7.6-12.0 HG3 LYS 19 - HG3 LYS 26 far 0 97 0 - 7.8-23.7 HG3 LYS 19 - HG2 LYS 36 far 0 54 0 - 8.2-34.3 HG2 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.7-25.7 QB ALA 16 - HG3 LYS 26 far 0 63 0 - 8.8-21.1 HG13 ILE 32 - HG2 LYS 19 far 0 66 0 - 8.9-25.0 Violated in 0 structures by 0.00 A. Peak 642 from cnoeabs.peaks (1.38, 1.38, 24.54 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 26 + HG3 LYS 26 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 99 99 - 100 HG3 LYS 31 + HG3 LYS 31 OK 79 79 - 100 HG2 LYS 36 + HG2 LYS 36 OK 60 60 - 100 HG2 LYS 19 + HG2 LYS 19 OK 54 54 - 100 Peak 643 from cnoeabs.peaks (1.66, 1.38, 24.54 ppm; 3.68 A): 10 out of 58 assignments used, quality = 1.00: * HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 62 62 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 62 62 100 100 2.5-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.3-3.0 3.0=100 HD3 LYS 19 - HG2 LYS 24 poor 19 94 20 - 2.1-17.8 HD2 LYS 24 - HG2 LYS 19 poor 17 68 25 - 3.0-17.8 HD3 LYS 31 - HG3 LYS 26 far 15 100 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 14 94 15 - 3.2-16.1 HD3 LYS 24 - HG2 LYS 19 poor 14 68 20 - 2.7-16.9 HD2 LYS 36 - HG3 LYS 26 far 10 97 10 - 4.8-22.9 HD2 LYS 26 - HG3 LYS 31 far 8 83 10 - 4.8-17.0 HD2 LYS 36 - HG3 LYS 31 far 8 78 10 - 4.8-13.4 HD2 LYS 31 - HG3 LYS 26 far 5 100 5 - 3.6-15.7 HD3 LYS 24 - HG3 LYS 26 far 5 100 5 - 3.7-11.0 HD3 LYS 26 - HG2 LYS 24 far 5 99 5 - 5.2-11.4 HB2 LEU 98 - HG2 LYS 24 far 5 97 5 - 4.9-36.4 HD3 LYS 26 - HG3 LYS 31 far 4 83 5 - 3.0-16.8 HD3 LYS 36 - HG3 LYS 31 far 4 78 5 - 4.6-13.4 HD3 LYS 19 - HG3 LYS 31 far 4 77 5 - 4.1-26.6 HD2 LYS 19 - HG3 LYS 31 far 4 77 5 - 4.6-25.3 HD3 LYS 26 - HG2 LYS 36 far 3 60 5 - 5.1-24.7 HD2 LYS 36 - HG2 LYS 24 far 0 95 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 99 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 83 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 97 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 83 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 60 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 95 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 60 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 99 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 60 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 68 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 99 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 99 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 56 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 84 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 68 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 68 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 79 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 60 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 99 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 98 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 47 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 54 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 96 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 63 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 61 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 644 from cnoeabs.peaks (1.66, 1.38, 24.54 ppm; 3.68 A): 10 out of 58 assignments used, quality = 1.00: * HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.5-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 53 53 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 53 53 100 100 2.3-3.0 3.0=100 HD3 LYS 19 - HG2 LYS 24 poor 19 96 20 - 2.1-17.8 HD2 LYS 24 - HG2 LYS 19 poor 17 67 25 - 3.0-17.8 HD3 LYS 31 - HG3 LYS 26 far 15 100 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 14 96 15 - 3.2-16.1 HD3 LYS 24 - HG2 LYS 19 poor 14 68 20 - 2.7-16.9 HD2 LYS 36 - HG3 LYS 26 far 10 96 10 - 4.8-22.9 HD2 LYS 26 - HG3 LYS 31 far 8 83 10 - 4.8-17.0 HD2 LYS 36 - HG3 LYS 31 far 8 76 10 - 4.8-13.4 HD3 LYS 24 - HG3 LYS 26 far 5 100 5 - 3.7-11.0 HD2 LYS 31 - HG3 LYS 26 far 5 100 5 - 3.6-15.7 HD3 LYS 26 - HG2 LYS 24 far 5 99 5 - 5.2-11.4 HB2 LEU 98 - HG2 LYS 24 far 5 98 5 - 4.9-36.4 HD3 LYS 26 - HG3 LYS 31 far 4 83 5 - 3.0-16.8 HD3 LYS 19 - HG3 LYS 31 far 4 79 5 - 4.1-26.6 HD2 LYS 19 - HG3 LYS 31 far 4 79 5 - 4.6-25.3 HD3 LYS 36 - HG3 LYS 31 far 4 76 5 - 4.6-13.4 HD3 LYS 26 - HG2 LYS 36 far 3 60 5 - 5.1-24.7 HD2 LYS 36 - HG2 LYS 24 far 0 93 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 99 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 83 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 96 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 83 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 60 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 93 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 60 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 99 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 60 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 67 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 99 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 99 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 54 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 80 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 68 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 68 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 77 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 60 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 99 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 99 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 50 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 56 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 97 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 61 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 63 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 645 from cnoeabs.peaks (2.97, 1.38, 24.54 ppm; 4.48 A): 10 out of 51 assignments used, quality = 1.00: * HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HE3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.1-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.0-3.9 4.0=100 HE3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.4-4.2 3.7=100 HE3 LYS 19 + HG2 LYS 19 OK 67 67 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.3-3.2 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 58 58 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.6-4.2 4.0=100 HE2 LYS 26 - HG3 LYS 31 poor 17 83 20 - 4.3-18.5 HE2 LYS 36 - HG3 LYS 31 poor 16 78 20 - 4.3-14.3 HE2 LYS 31 - HG3 LYS 26 far 15 100 15 - 5.0-15.0 HE3 LYS 36 - HG3 LYS 26 far 15 99 15 - 4.4-24.9 HE2 LYS 19 - HG2 LYS 24 far 14 96 15 - 4.3-16.8 HE3 LYS 24 - HG2 LYS 19 poor 13 66 20 - 3.9-19.3 HE3 LYS 26 - HG3 LYS 31 far 12 83 15 - 4.8-18.3 HE3 LYS 36 - HG3 LYS 31 far 12 81 15 - 4.5-14.3 HE2 LYS 24 - HG2 LYS 19 poor 12 61 20 - 2.9-18.6 HE3 LYS 26 - HG2 LYS 36 poor 12 60 20 - 5.1-26.6 HE3 LYS 31 - HG3 LYS 26 far 10 100 10 - 5.8-14.5 HE3 LYS 19 - HG2 LYS 24 far 10 99 10 - 3.6-18.0 HE2 LYS 36 - HG3 LYS 26 far 10 97 10 - 4.6-24.5 HE2 LYS 26 - HG2 LYS 36 far 9 60 15 - 5.0-27.0 HB2 CYS 45 - HG2 LYS 36 poor 7 35 20 - 4.8-12.0 HE3 LYS 24 - HG3 LYS 26 far 5 99 5 - 5.5-12.7 HE3 LYS 26 - HG2 LYS 24 far 5 99 5 - 5.4-12.1 HE2 LYS 26 - HG2 LYS 24 far 5 99 5 - 5.9-12.0 HE3 LYS 36 - HG2 LYS 24 far 5 98 5 - 5.7-27.3 HE2 LYS 24 - HG3 LYS 26 far 5 96 5 - 5.0-12.3 HE2 LYS 36 - HG2 LYS 24 far 5 95 5 - 4.2-26.3 HE3 LYS 24 - HG3 LYS 31 far 4 81 5 - 5.2-18.7 HE2 LYS 24 - HG3 LYS 31 far 4 76 5 - 4.1-18.0 HE3 LYS 31 - HG2 LYS 36 far 3 60 5 - 5.1-14.9 HE2 LYS 31 - HG2 LYS 36 far 3 60 5 - 5.3-13.7 HE2 LYS 24 - HG2 LYS 36 far 0 53 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 83 0 - 6.4-26.3 HE3 LYS 31 - HG2 LYS 19 far 0 68 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 79 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 99 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 67 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 97 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 99 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 71 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 58 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 52 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 68 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 66 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 56 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 60 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 646 from cnoeabs.peaks (2.97, 1.38, 24.54 ppm; 4.48 A): 10 out of 51 assignments used, quality = 1.00: HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 * HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HE3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.1-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.0-3.9 4.0=100 HE3 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 83 83 100 100 2.4-4.2 3.7=100 HE3 LYS 19 + HG2 LYS 19 OK 67 67 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 64 64 100 100 2.3-3.2 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 58 58 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 55 55 100 100 2.6-4.2 4.0=100 HE2 LYS 26 - HG3 LYS 31 poor 17 83 20 - 4.3-18.5 HE2 LYS 36 - HG3 LYS 31 poor 16 78 20 - 4.3-14.3 HE2 LYS 31 - HG3 LYS 26 far 15 100 15 - 5.0-15.0 HE3 LYS 36 - HG3 LYS 26 far 15 99 15 - 4.4-24.9 HE2 LYS 19 - HG2 LYS 24 far 14 96 15 - 4.3-16.8 HE3 LYS 24 - HG2 LYS 19 poor 13 66 20 - 3.9-19.3 HE3 LYS 26 - HG3 LYS 31 far 12 83 15 - 4.8-18.3 HE3 LYS 36 - HG3 LYS 31 far 12 81 15 - 4.5-14.3 HE2 LYS 24 - HG2 LYS 19 poor 12 61 20 - 2.9-18.6 HE3 LYS 26 - HG2 LYS 36 poor 12 60 20 - 5.1-26.6 HE3 LYS 31 - HG3 LYS 26 far 10 100 10 - 5.8-14.5 HE3 LYS 19 - HG2 LYS 24 far 10 99 10 - 3.6-18.0 HE2 LYS 36 - HG3 LYS 26 far 10 97 10 - 4.6-24.5 HE2 LYS 26 - HG2 LYS 36 far 9 60 15 - 5.0-27.0 HB2 CYS 45 - HG2 LYS 36 poor 7 35 20 - 4.8-12.0 HE3 LYS 24 - HG3 LYS 26 far 5 99 5 - 5.5-12.7 HE3 LYS 26 - HG2 LYS 24 far 5 99 5 - 5.4-12.1 HE2 LYS 26 - HG2 LYS 24 far 5 99 5 - 5.9-12.0 HE3 LYS 36 - HG2 LYS 24 far 5 98 5 - 5.7-27.3 HE2 LYS 24 - HG3 LYS 26 far 5 96 5 - 5.0-12.3 HE2 LYS 36 - HG2 LYS 24 far 5 95 5 - 4.2-26.3 HE3 LYS 24 - HG3 LYS 31 far 4 81 5 - 5.2-18.7 HE2 LYS 24 - HG3 LYS 31 far 4 76 5 - 4.1-18.0 HE3 LYS 31 - HG2 LYS 36 far 3 60 5 - 5.1-14.9 HE2 LYS 31 - HG2 LYS 36 far 3 60 5 - 5.3-13.7 HE2 LYS 24 - HG2 LYS 36 far 0 53 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 83 0 - 6.4-26.3 HE3 LYS 31 - HG2 LYS 19 far 0 68 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 79 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 99 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 67 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 97 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 99 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 71 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 58 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 52 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 68 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 66 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 68 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 56 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 60 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 647 from cnoeabs.peaks (8.39, 1.38, 24.54 ppm; 4.36 A): 4 out of 32 assignments used, quality = 1.00: * H GLN 27 + HG3 LYS 26 OK 100 100 100 100 2.1-4.5 6262/3.0=82, 6263/3.0=81...(27) H LYS 26 + HG3 LYS 26 OK 87 87 100 100 1.7-4.7 6252/1.8=75, 6250/3.0=73...(47) H LYS 24 + HG2 LYS 24 OK 82 82 100 100 1.9-4.3 3.0/483=86, 6222=77...(29) H ASP 35 + HG2 LYS 36 OK 56 60 95 98 3.7-6.5 6387/6394=72...(15) H LYS 26 - HG3 LYS 31 poor 17 66 25 - 4.5-14.1 H GLY 14 - HG2 LYS 19 poor 16 46 35 - 3.6-15.4 H LYS 26 - HG2 LYS 24 poor 16 84 30 63 1.9-8.6 6245/6234=44...(6) H GLN 27 - HG3 LYS 31 far 12 83 15 - 5.2-12.2 H GLN 27 - HG2 LYS 24 far 10 99 10 - 3.2-11.1 H LYS 24 - HG2 LYS 19 far 8 51 15 - 4.5-15.9 H ASP 35 - HG3 LYS 26 far 5 100 5 - 3.7-22.6 H LYS 24 - HG3 LYS 26 poor 5 85 25 23 3.8-10.2 6228/522=17, 3.6/638=2...(6) H ASP 35 - HG2 LYS 24 far 5 99 5 - 4.7-26.9 H THR 65 - HG3 LYS 26 far 5 99 5 - 4.5-22.4 H LYS 24 - HG3 LYS 31 far 3 64 5 - 4.9-16.5 H LYS 26 - HG2 LYS 19 far 3 53 5 - 5.3-22.5 H MET 11 - HG2 LYS 19 far 2 41 5 - 5.5-19.6 H THR 65 - HG3 LYS 31 far 0 80 0 - 6.5-19.7 H ASP 35 - HG3 LYS 31 far 0 83 0 - 6.5-12.8 H THR 65 - HG2 LYS 24 far 0 97 0 - 6.7-22.9 H LYS 24 - HG2 LYS 36 far 0 45 0 - 7.1-26.7 H GLY 14 - HG3 LYS 31 far 0 58 0 - 7.3-24.9 H GLY 14 - HG2 LYS 24 far 0 76 0 - 7.4-24.1 H GLN 27 - HG2 LYS 36 far 0 60 0 - 7.6-21.6 H SER 74 - HG2 LYS 36 far 0 45 0 - 8.0-14.8 H GLN 27 - HG2 LYS 19 far 0 68 0 - 8.1-23.6 H MET 11 - HG2 LYS 24 far 0 68 0 - 8.2-25.0 H THR 65 - HG2 LYS 36 far 0 57 0 - 8.4-18.7 H HIS 3 - HG3 LYS 31 far 0 79 0 - 8.4-51.7 H LYS 26 - HG2 LYS 36 far 0 46 0 - 8.5-23.7 H SER 74 - HG3 LYS 31 far 0 64 0 - 9.0-21.9 H HIS 3 - HG3 LYS 26 far 0 98 0 - 9.1-55.1 Violated in 0 structures by 0.00 A. Peak 648 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 19 out of 66 assignments used, quality = 1.00: * H LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-5.7 5.7=100 H LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-5.9 5.9=100 H LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-5.6 5.9=100 H LYS 26 + HD3 LYS 26 OK 100 100 100 100 3.5-5.4 5.7=100 H GLN 27 + HD2 LYS 26 OK 87 87 100 100 2.0-6.3 6262/3.5=80, 6263/3.5=79...(23) H GLN 27 + HD3 LYS 26 OK 86 86 100 100 3.5-5.7 6262/3.5=80, 6263/3.5=79...(22) H ASP 35 + HD2 LYS 36 OK 78 78 100 100 2.4-7.7 6387/6.1=75...(14) H ASP 35 + HD3 LYS 36 OK 78 78 100 99 3.1-7.2 6387/6.1=75...(13) H LYS 19 + HD2 LYS 19 OK 66 66 100 100 1.9-5.3 6.2=100 H LYS 19 + HD3 LYS 19 OK 66 66 100 100 3.3-5.1 6.2=100 H LYS 26 + HD3 LYS 31 OK 63 100 65 96 5.2-13.7 6295/10771=12, ~790=7...(96) H LYS 26 + HD3 LYS 24 OK 59 100 80 73 3.0-10.1 6245/555=34...(8) H LYS 26 + HD2 LYS 31 OK 58 100 60 96 5.1-14.0 6295/10771=14, ~790=7...(91) H LYS 26 + HD2 LYS 24 OK 46 100 65 71 3.6-10.0 6245/544=36...(8) H LYS 19 + HD2 LYS 24 OK 34 80 45 94 5.4-15.5 ~822=6, 523/3.0=5...(88) H LYS 19 + HD3 LYS 24 OK 34 81 45 93 3.9-15.4 ~822=6, 523/3.0=5...(86) H LYS 24 + HD2 LYS 26 OK 25 100 70 35 4.6-11.7 6228/6237=20...(8) H GLN 27 + HD2 LYS 31 OK 23 87 50 53 5.5-12.0 4.6/10771=41, 6266=4...(7) H GLN 27 + HD3 LYS 31 OK 21 87 50 48 4.9-12.0 4.6/10771=35, 6266/1.8=4...(7) H LYS 24 - HD2 LYS 31 poor 20 100 20 - 5.7-17.0 H LYS 24 - HD3 LYS 26 poor 19 100 60 32 5.8-10.7 6228/6237=14...(9) H LYS 24 - HD3 LYS 31 far 15 100 15 - 6.9-18.4 H LYS 26 - HD2 LYS 36 far 14 92 15 - 6.3-21.8 H LYS 26 - HD3 LYS 36 far 14 92 15 - 7.4-22.6 H LYS 19 - HD2 LYS 31 far 12 80 15 - 5.6-22.1 H GLN 27 - HD2 LYS 36 far 11 75 15 - 7.6-19.6 H GLY 14 - HD2 LYS 24 far 10 100 10 - 7.0-23.3 H GLY 14 - HD3 LYS 24 far 10 100 10 - 7.6-22.9 H THR 65 - HD3 LYS 31 far 10 97 10 - 5.0-20.3 H THR 65 - HD2 LYS 31 far 10 97 10 - 4.7-21.2 H THR 65 - HD2 LYS 24 far 10 97 10 - 7.9-25.1 H THR 65 - HD3 LYS 26 far 10 97 10 - 7.3-23.6 H ASP 35 - HD3 LYS 24 far 9 90 10 - 5.7-27.1 H ASP 35 - HD2 LYS 24 far 9 90 10 - 6.2-25.7 H ASP 35 - HD2 LYS 31 far 9 90 10 - 7.3-13.8 H LYS 26 - HD3 LYS 19 far 9 90 10 - 5.0-22.4 H THR 65 - HD2 LYS 36 far 9 87 10 - 7.2-16.7 H LYS 19 - HD3 LYS 31 far 8 81 10 - 6.3-22.9 H GLN 27 - HD3 LYS 19 far 7 72 10 - 7.6-23.8 H GLN 27 - HD2 LYS 19 far 7 72 10 - 7.9-22.1 H GLN 27 - HD2 LYS 24 lone 7 87 45 17 3.3-12.1 4.6/6255=7...(4) H GLY 14 - HD3 LYS 31 far 5 100 5 - 7.7-24.5 H HIS 3 - HD3 LYS 31 far 5 98 5 - 7.2-51.0 H HIS 3 - HD2 LYS 31 far 5 98 5 - 7.8-51.2 H THR 65 - HD2 LYS 26 far 5 97 5 - 6.2-24.3 H THR 65 - HD3 LYS 24 far 5 97 5 - 6.6-24.1 H ASP 35 - HD3 LYS 26 lone 5 90 45 12 4.8-23.5 11784/10812=5...(3) H LYS 24 - HD2 LYS 19 lone 5 89 35 15 5.3-14.1 424/5.2=6, 6223/828=2...(5) H ASP 35 - HD2 LYS 26 lone 5 90 40 13 4.4-23.7 11784/10837=5...(4) H LYS 24 - HD2 LYS 36 far 5 92 5 - 5.7-24.8 H LYS 24 - HD3 LYS 36 far 5 92 5 - 7.3-25.4 H ASP 35 - HD3 LYS 31 far 5 90 5 - 8.1-13.1 H LYS 26 - HD2 LYS 19 far 4 90 5 - 5.4-20.7 H THR 65 - HD3 LYS 36 far 4 87 5 - 8.1-16.3 H GLN 27 - HD3 LYS 24 lone 4 87 25 18 1.8-12.6 10758/10696=7...(4) H LYS 19 - HD2 LYS 26 far 4 81 5 - 7.1-20.9 H LYS 19 - HD3 LYS 26 far 4 80 5 - 6.6-21.2 H GLN 27 - HD3 LYS 36 far 4 75 5 - 6.2-20.4 H LYS 19 - HD3 LYS 36 far 3 69 5 - 7.2-31.2 H LYS 19 - HD2 LYS 36 far 3 69 5 - 7.9-30.4 H LYS 24 - HD3 LYS 19 lone 3 89 25 14 4.0-15.8 424/5.2=6, 6223/828=2...(4) H GLY 14 - HD2 LYS 19 lone 2 89 50 5 2.6-18.0 10659/3.0=1 H GLY 14 - HD3 LYS 19 lone 2 89 40 5 4.3-18.2 10659/3.0=1 H THR 65 - HD3 LYS 19 far 0 84 0 - 8.9-31.2 H GLY 14 - HD2 LYS 31 far 0 100 0 - 9.2-24.0 H HIS 3 - HD2 LYS 26 far 0 98 0 - 9.6-54.3 Violated in 0 structures by 0.00 A. Peak 649 from cnoeabs.peaks (4.27, 1.66, 28.90 ppm; 4.34 A): 19 out of 155 assignments used, quality = 1.00: * HA LYS 26 + HD2 LYS 26 OK 99 100 100 99 2.1-5.4 5.0=66, ~6252=35...(32) HA LYS 26 + HD3 LYS 26 OK 99 100 100 99 2.1-5.1 5.0=66, ~6252=35...(32) HA LYS 31 + HD3 LYS 31 OK 98 99 100 99 2.0-4.9 5.2=58, ~6332=28...(38) HA LYS 31 + HD2 LYS 31 OK 98 99 100 99 2.0-5.4 5.2=58, ~6332=28...(38) HA LYS 36 + HD3 LYS 36 OK 90 90 100 100 3.0-5.3 5.3=56, ~6395=34...(33) HA LYS 36 + HD2 LYS 36 OK 90 90 100 100 3.5-5.3 5.3=56, ~6395=34...(33) HA LYS 19 + HD3 LYS 19 OK 88 89 100 99 2.0-4.8 5.2=59, ~6151=29...(43) HA LYS 19 + HD2 LYS 19 OK 88 89 100 99 2.0-4.5 5.2=59, ~6151=29...(42) HA THR 25 + HD3 LYS 24 OK 37 78 50 95 3.3-8.1 ~6234=25, 11128/3.5=23...(26) HA THR 25 + HD2 LYS 24 OK 37 78 50 95 2.7-7.9 ~6234=25, 11128/3.5=23...(26) HA THR 25 + HD2 LYS 26 OK 35 78 50 89 3.7-8.6 582/5.7=28, 11128/3.5=19...(22) HA LYS 19 + HD3 LYS 24 OK 34 100 40 85 2.2-14.1 822/3.0=5, 241/3.0=4...(76) HA LYS 31 + HD3 LYS 26 OK 29 98 30 98 4.2-17.5 3.0/6336=6, 790/3.5=4...(175) HA THR 25 + HD3 LYS 26 OK 28 78 40 90 4.5-8.0 582/5.7=28, 11128/3.5=19...(22) HA LYS 19 + HD2 LYS 24 OK 27 100 30 89 3.3-14.3 822/3.0=5, 241/3.0=4...(105) HA LYS 31 + HD2 LYS 26 OK 24 99 25 98 4.7-17.2 3.0/6335=6, ~6336=4...(181) HA LYS 26 + HD2 LYS 31 OK 23 100 25 93 2.5-14.0 790/3.5=6, 822/2.9=6...(98) HA ARG 23 + HD2 LYS 26 OK 22 89 45 54 3.1-12.9 6240/6237=3, 3.8/3938=2...(13) HA ARG 23 + HD3 LYS 26 OK 21 88 40 61 3.6-13.1 4.9/11449=10...(15) HA LYS 26 - HD3 LYS 31 poor 19 100 20 94 4.2-13.7 790/3.5=6, 822/2.9=6...(126) HA GLN 27 - HD2 LYS 26 poor 18 71 25 - 4.9-7.8 HA ALA 21 - HD3 LYS 24 poor 16 81 20 - 3.1-12.2 HA ARG 23 - HD3 LYS 24 poor 16 89 30 61 3.5-8.6 424/5.9=30, ~821=7...(16) HA ALA 21 - HD2 LYS 24 poor 16 80 20 - 3.9-12.1 HA ARG 23 - HD2 LYS 24 poor 16 89 30 60 3.9-8.4 424/5.9=30, ~821=7...(16) HA ALA 12 - HD2 LYS 19 poor 15 76 20 - 4.1-20.6 HA LYS 31 - HD2 LYS 36 far 13 89 15 - 4.5-11.5 HA THR 18 - HD2 LYS 19 poor 12 62 20 - 2.6-7.9 HA THR 25 - HD2 LYS 31 far 12 78 15 - 4.3-15.2 HA THR 18 - HD3 LYS 24 far 11 76 15 - 2.0-15.2 HA ALA 12 - HD3 LYS 19 far 11 76 15 - 3.2-20.9 HA ALA 15 - HD2 LYS 19 far 11 76 15 - 4.3-14.9 HA GLN 27 - HD2 LYS 31 far 11 71 15 - 4.9-12.0 HA LEU 22 - HD2 LYS 24 poor 11 100 30 35 2.8-10.2 11967/3.0=8, 6212/5.9=6...(10) HA GLN 27 - HD3 LYS 26 far 11 70 15 - 4.8-8.0 HA LYS 36 - HD2 LYS 26 far 10 99 10 - 4.9-28.2 HA ALA 15 - HD3 LYS 31 far 9 90 10 - 5.3-25.6 HA LEU 22 - HD3 LYS 24 poor 9 100 25 35 3.9-9.9 11967/3.0=8, 6212/5.9=6...(10) HA THR 25 - HD3 LYS 31 far 8 78 10 - 4.3-14.5 HA ALA 15 - HD3 LYS 19 far 8 76 10 - 4.4-14.7 HA GLN 27 - HD3 LYS 24 far 7 71 10 - 4.5-14.4 HA GLN 27 - HD2 LYS 24 far 7 71 10 - 5.6-13.6 HA THR 18 - HD3 LYS 19 far 6 62 10 - 4.3-7.5 HA LYS 26 - HD3 LYS 24 far 5 100 5 - 4.6-10.7 HA LEU 22 - HD2 LYS 26 far 5 100 5 - 5.5-15.0 HA ALA 16 - HD2 LYS 31 far 5 99 5 - 4.9-27.6 HA LYS 36 - HD3 LYS 26 far 5 99 5 - 5.8-27.5 HA ALA 108 - HD2 LYS 26 far 5 99 5 - 4.8-33.2 HA ALA 109 - HD3 LYS 26 far 5 98 5 - 4.8-33.6 HA GLN 61 - HD2 LYS 26 far 5 96 5 - 4.2-27.0 HA GLN 61 - HD3 LYS 26 far 5 95 5 - 4.2-26.3 HA ALA 110 - HD3 LYS 26 far 5 91 5 - 4.9-35.3 HA ALA 15 - HD3 LYS 24 far 5 90 5 - 5.0-21.8 HA ALA 15 - HD2 LYS 24 far 5 90 5 - 5.4-22.2 HA ALA 15 - HD2 LYS 31 far 5 90 5 - 5.7-24.6 HA LYS 31 - HD3 LYS 36 far 4 89 5 - 5.5-11.8 HA ARG 23 - HD2 LYS 31 far 4 89 5 - 5.6-16.4 HA LYS 31 - HD2 LYS 19 far 4 86 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 4 86 5 - 3.5-28.9 HA ALA 21 - HD3 LYS 26 far 4 80 5 - 5.8-15.9 HA THR 18 - HD2 LYS 24 far 4 76 5 - 3.6-15.2 HA THR 18 - HD3 LYS 31 far 4 76 5 - 4.8-24.1 HA THR 18 - HD2 LYS 31 far 4 76 5 - 4.8-23.0 HA GLN 27 - HD3 LYS 31 far 4 71 5 - 5.8-11.4 HA ALA 21 - HD3 LYS 36 far 3 69 5 - 5.2-27.3 HA ALA 21 - HD2 LYS 36 far 3 69 5 - 5.3-26.7 HA THR 25 - HD2 LYS 36 far 3 66 5 - 4.6-21.6 HA THR 25 - HD2 LYS 19 far 3 64 5 - 4.9-18.6 HA THR 25 - HD3 LYS 19 far 3 64 5 - 5.3-20.4 HA GLN 27 - HD3 LYS 36 far 3 60 5 - 4.1-18.3 HA GLN 27 - HD2 LYS 36 far 3 60 5 - 5.6-17.4 HA THR 25 - HD3 LYS 36 far 0 66 0 - 5.9-22.2 HA ALA 21 - HD3 LYS 19 far 0 66 0 - 5.9-10.7 HA GLN 61 - HD3 LYS 31 far 0 96 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 99 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 100 0 - 6.0-10.6 HA LEU 22 - HD2 LYS 19 far 0 89 0 - 6.1-11.8 HA ALA 109 - HD2 LYS 26 far 0 99 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 74 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 98 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 89 0 - 6.2-17.8 HA ALA 16 - HD2 LYS 19 far 0 87 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 99 0 - 6.3-29.1 HA LEU 22 - HD3 LYS 19 far 0 89 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 100 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 99 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 92 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 96 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 64 0 - 6.7-32.3 HA ALA 16 - HD3 LYS 19 far 0 87 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 66 0 - 6.7-11.4 HA THR 18 - HD3 LYS 36 far 0 64 0 - 6.8-33.0 HA ALA 110 - HD2 LYS 19 far 0 78 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 96 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 90 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 90 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 99 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 90 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 74 0 - 7.0-14.4 HA LYS 26 - HD2 LYS 36 far 0 92 0 - 7.0-20.6 HA ALA 16 - HD3 LYS 36 far 0 89 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 99 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 92 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 78 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 81 0 - 7.2-16.4 HA LYS 19 - HD3 LYS 31 far 0 100 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 96 0 - 7.5-26.2 HA GLN 27 - HD2 LYS 19 far 0 57 0 - 7.5-22.5 HA ALA 108 - HD3 LYS 24 far 0 99 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 77 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 77 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 90 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 99 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 99 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 100 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 82 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 99 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 100 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 100 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 78 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 90 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 99 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 75 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 90 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 78 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 57 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 82 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 78 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 99 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 89 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 99 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 84 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 92 0 - 8.5-27.7 HA ALA 109 - HD3 LYS 19 far 0 86 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 92 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 86 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 76 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 80 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 92 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 99 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 86 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 100 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 81 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 99 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 99 0 - 9.5-32.1 HA ALA 12 - HD2 LYS 31 far 0 90 0 - 9.6-26.0 HA ALA 12 - HD3 LYS 31 far 0 90 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 86 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 99 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 99 0 - 9.8-33.3 HA ALA 16 - HD2 LYS 26 far 0 99 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 88 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 92 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 78 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 650 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 4.35 A): 13 out of 64 assignments used, quality = 1.00: * HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.9-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 43 99 45 97 2.4-15.6 639/2.9=7, 628/2.9=7...(117) HB2 LYS 31 + HD2 LYS 26 OK 39 99 40 98 3.3-16.0 639/2.9=7, 628/2.9=7...(145) HB2 LYS 26 + HD2 LYS 31 OK 29 100 30 98 4.5-13.8 10770/10771=16...(175) HB2 LYS 26 + HD3 LYS 31 OK 25 100 25 99 4.1-13.7 10770/10771=13...(196) HB2 LYS 19 + HD3 LYS 24 OK 23 100 25 94 4.7-15.4 823/3.0=4, 1.8/2632=3...(135) HB2 ARG 23 - HD2 LYS 26 poor 20 100 20 - 2.0-13.7 HB2 ARG 23 - HD3 LYS 26 poor 18 99 25 71 3.3-13.9 3.7/11449=14...(22) HB2 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.7-16.1 HB2 LYS 24 - HD2 LYS 19 poor 12 89 30 45 4.1-16.1 514/3.0=1, 790/5.2=1...(4) HB2 LYS 24 - HD3 LYS 19 poor 11 89 25 48 2.7-16.8 514/3.0=1, 790/5.2=1...(5) HB2 ARG 23 - HD3 LYS 24 far 10 100 10 - 4.5-9.5 HB2 LYS 26 - HD3 LYS 24 far 5 100 5 - 2.0-12.6 HB2 LYS 26 - HD2 LYS 24 far 5 100 5 - 3.6-12.6 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-23.5 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.1-23.0 HB2 LYS 24 - HD2 LYS 31 far 5 100 5 - 4.7-17.2 HB2 LYS 19 - HD3 LYS 26 far 5 100 5 - 5.6-21.9 HB2 ARG 23 - HD2 LYS 31 far 5 100 5 - 5.5-17.1 HB2 ARG 23 - HD2 LYS 24 far 5 100 5 - 5.8-9.7 HB2 LYS 24 - HD2 LYS 36 far 5 91 5 - 3.0-25.5 HB2 LYS 26 - HD2 LYS 36 far 5 92 5 - 5.6-20.8 HB2 LYS 24 - HD3 LYS 36 far 5 91 5 - 4.2-25.9 HB2 ARG 23 - HD3 LYS 36 far 5 91 5 - 5.5-23.2 HB2 LYS 31 - HD2 LYS 36 far 4 89 5 - 5.5-12.6 HB2 LYS 31 - HD2 LYS 19 far 4 87 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 4 87 5 - 5.5-29.5 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.9-18.6 HB2 ARG 23 - HD2 LYS 36 far 0 91 0 - 6.0-22.4 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.1-12.1 HB2 LYS 26 - HD3 LYS 36 far 0 92 0 - 6.1-21.8 HB2 LYS 31 - HD3 LYS 24 far 0 99 0 - 6.2-19.4 HB2 ARG 23 - HD3 LYS 31 far 0 100 0 - 6.2-18.0 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.2-21.7 HB2 ARG 23 - HD2 LYS 19 far 0 88 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 89 0 - 6.5-12.1 HB2 LYS 26 - HD3 LYS 19 far 0 90 0 - 6.6-24.6 HB2 LYS 31 - HD2 LYS 24 far 0 99 0 - 6.7-18.3 HB2 LEU 43 - HD3 LYS 36 far 0 64 0 - 7.0-17.8 HB2 LYS 26 - HD2 LYS 19 far 0 90 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 86 0 - 7.5-15.4 HB2 LEU 43 - HD3 LYS 24 far 0 76 0 - 7.6-30.2 HB2 LEU 43 - HD2 LYS 36 far 0 64 0 - 7.7-16.6 HB2 ARG 23 - HD3 LYS 19 far 0 88 0 - 8.0-15.0 HB2 LEU 43 - HD2 LYS 24 far 0 76 0 - 8.4-31.6 HB2 LYS 39 - HD3 LYS 24 far 0 97 0 - 8.5-31.4 HB2 LEU 43 - HD2 LYS 31 far 0 76 0 - 8.6-24.3 HB2 LYS 39 - HD2 LYS 36 far 0 86 0 - 8.9-14.2 HB2 LYS 19 - HD3 LYS 36 far 0 92 0 - 9.2-30.9 HB2 LEU 43 - HD3 LYS 31 far 0 76 0 - 9.5-22.7 HG LEU 100 - HD2 LYS 31 far 0 65 0 - 9.6-21.5 HB2 LEU 43 - HD3 LYS 26 far 0 75 0 - 9.7-30.1 HB2 LYS 39 - HD2 LYS 19 far 0 83 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 65 0 - 9.9-21.8 HB2 LEU 43 - HD2 LYS 26 far 0 76 0 - 9.9-30.2 HB2 LYS 39 - HD2 LYS 24 far 0 96 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 651 from cnoeabs.peaks (1.82, 1.66, 28.90 ppm; 4.17 A): 20 out of 73 assignments used, quality = 1.00: * HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.1 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.1-3.8 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.5-4.2 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.0-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.1-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.1-3.7 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.7 3.9=100 HB ILE 32 + HD2 LYS 36 OK 69 92 75 99 2.1-6.8 ~10901=30, 2.1/10837=28...(56) HB ILE 32 + HD3 LYS 36 OK 55 92 60 99 2.3-8.3 ~10901=30, 2.1/10837=27...(60) HB3 LYS 31 + HD2 LYS 26 OK 38 99 40 97 2.9-17.3 629/2.9=7, 640/2.9=5...(143) HB3 LYS 31 + HD3 LYS 26 OK 38 99 40 95 3.4-17.4 629/2.9=7, 640/2.9=5...(110) HB3 LYS 19 + HD2 LYS 24 OK 31 99 35 91 2.0-16.0 2631=3, 824/3.0=3...(117) HB3 LYS 19 + HD3 LYS 24 OK 30 99 35 86 3.5-15.3 2632=3, 824/3.0=3...(84) HB3 LYS 26 + HD2 LYS 31 OK 29 100 30 98 4.2-14.4 10769/10771=15...(191) HB ILE 32 + HD3 LYS 31 OK 26 100 30 86 4.1-9.2 3.0/10763=9, 10752/5.2=8...(54) HB ILE 32 + HD3 LYS 26 OK 26 100 30 85 4.0-17.6 3.0/10763=8, 2.1/10837=8...(45) HB3 ARG 23 + HD2 LYS 26 OK 20 100 35 58 2.9-14.2 442/5.7=4, ~11618=4...(20) HB ILE 32 - HD2 LYS 26 poor 20 100 20 - 4.1-18.3 HB2 LYS 36 - HD2 LYS 26 poor 20 100 20 - 5.1-27.9 HB2 LYS 36 - HD3 LYS 26 poor 20 100 20 - 4.4-27.1 HB3 ARG 23 - HD3 LYS 26 poor 20 100 30 65 2.9-14.6 3.7/11449=13...(15) HB3 LYS 26 - HD3 LYS 31 poor 20 100 20 98 4.5-14.4 10769/10771=13...(191) HB3 LYS 24 - HD3 LYS 19 poor 18 88 20 - 2.0-16.3 HB ILE 32 - HD2 LYS 31 far 15 100 15 - 5.5-9.5 HB3 LYS 24 - HD2 LYS 19 far 13 88 15 - 3.7-15.7 HB3 ARG 23 - HD3 LYS 24 far 10 100 10 - 5.2-9.3 HB3 LYS 24 - HD3 LYS 36 far 9 91 10 - 5.5-25.2 HB3 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-12.3 HB3 LYS 26 - HD2 LYS 24 far 5 100 5 - 5.1-12.6 HB2 LYS 36 - HD2 LYS 31 far 5 100 5 - 5.0-15.5 HB3 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.4-17.9 HB3 ARG 23 - HD3 LYS 36 far 5 91 5 - 4.9-23.1 HB3 LYS 24 - HD2 LYS 36 far 5 91 5 - 4.2-24.7 HB3 LYS 31 - HD2 LYS 19 far 4 87 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 4 87 5 - 4.1-28.8 HB2 LYS 36 - HD2 LYS 24 far 0 100 0 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 0 91 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 99 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 92 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 99 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 100 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 100 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 92 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 99 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 89 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 89 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 99 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 100 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 90 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 89 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 90 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 71 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 99 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.7-11.2 HB ILE 32 - HD3 LYS 19 far 0 89 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 89 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 89 0 - 8.1-28.1 HB3 LEU 122 - HD2 LYS 24 far 0 71 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 68 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 100 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 68 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 71 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 68 0 - 9.2-37.9 HB2 CYS 79 - HD2 LYS 36 far 0 71 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 652 from cnoeabs.peaks (1.43, 1.66, 28.90 ppm; 3.31 A): 9 out of 68 assignments used, quality = 1.00: * HG2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 83 83 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 31 OK 25 99 40 63 3.3-9.3 10757/5.2=7, 6333/6.2=5...(32) HG13 ILE 32 - HD2 LYS 26 poor 18 99 30 62 2.5-16.4 ~10767=6, ~10704=5...(31) HG13 ILE 32 - HD3 LYS 31 poor 18 99 30 61 2.0-10.3 10757/5.2=7, 6333/6.2=5...(31) HG13 ILE 32 - HD3 LYS 36 poor 18 90 20 - 3.6-8.5 HG13 ILE 32 - HD2 LYS 36 poor 18 90 20 - 4.2-7.8 HG3 LYS 19 - HD3 LYS 24 far 14 97 15 - 4.4-17.3 HG13 ILE 32 - HD3 LYS 26 poor 14 99 25 57 2.0-15.6 ~10704=5, 1.8/10767=4...(30) HG2 LYS 26 - HD3 LYS 31 far 10 100 10 - 4.2-16.2 HG2 LYS 31 - HD3 LYS 26 far 10 98 10 - 4.2-17.6 HG3 LYS 19 - HD2 LYS 24 far 10 96 10 - 4.4-17.3 HG2 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-12.2 HG2 LYS 31 - HD2 LYS 26 far 5 98 5 - 3.5-18.0 QB ALA 34 - HD3 LYS 36 far 4 82 5 - 4.1-8.0 QB ALA 34 - HD2 LYS 36 far 4 82 5 - 4.7-8.0 HG3 LYS 24 - HD3 LYS 19 lone 4 81 25 19 2.0-17.8 525/3.9=2, 284/3.9=1, 597/5.2=1 HG3 LYS 24 - HD2 LYS 19 lone 3 81 25 15 2.7-16.7 525/3.9=2, 284/3.9=1, 597/5.2=1 QB ALA 16 - HD2 LYS 19 far 0 50 0 - 4.8-11.3 QB ALA 34 - HD2 LYS 26 far 0 93 0 - 4.9-20.3 QB ALA 16 - HD2 LYS 24 far 0 63 0 - 4.9-17.1 HG2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 92 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.1-12.8 HG3 LYS 24 - HD2 LYS 36 far 0 83 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 88 0 - 5.3-13.7 QB ALA 16 - HD2 LYS 31 far 0 63 0 - 5.3-24.0 QB ALA 16 - HD3 LYS 19 far 0 50 0 - 5.4-11.1 HG2 LYS 31 - HD2 LYS 24 far 0 98 0 - 5.5-17.2 HG2 LYS 31 - HD3 LYS 19 far 0 85 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 85 0 - 5.7-26.4 QB ALA 16 - HD3 LYS 24 far 0 63 0 - 5.7-16.6 HG2 LYS 26 - HD3 LYS 36 far 0 92 0 - 5.7-24.0 HG3 LYS 24 - HD3 LYS 26 far 0 94 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 88 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 95 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 98 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 83 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 88 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 93 0 - 6.2-20.6 QB ALA 16 - HD3 LYS 31 far 0 63 0 - 6.3-25.2 HG3 LYS 19 - HD3 LYS 31 far 0 97 0 - 6.4-26.0 HG3 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 88 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 96 0 - 6.8-25.5 QB ALA 16 - HD3 LYS 36 far 0 52 0 - 6.9-25.7 QB ALA 34 - HD2 LYS 24 far 0 93 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 93 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 99 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 99 0 - 7.4-16.8 QB ALA 16 - HD2 LYS 36 far 0 52 0 - 7.7-25.0 HG3 LYS 19 - HD3 LYS 26 far 0 96 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 95 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 97 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 93 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 93 0 - 8.3-12.7 QB ALA 16 - HD2 LYS 26 far 0 63 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 62 0 - 8.7-20.3 HG2 LYS 26 - HD3 LYS 19 far 0 90 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 90 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 100 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 100 0 - 9.5-27.4 Violated in 0 structures by 0.00 A. Peak 653 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 4.25 A): 11 out of 123 assignments used, quality = 1.00: * HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.2-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 74 74 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 74 74 100 100 2.5-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 29 98 30 97 3.0-16.8 834/3.5=4, 5.0/6336=4...(160) QB ALA 15 - HD3 LYS 31 poor 20 100 20 - 3.8-22.6 HG3 LYS 31 - HD2 LYS 26 poor 20 98 20 - 4.8-17.0 QB ALA 12 - HD3 LYS 19 poor 19 64 30 - 2.1-15.8 HG2 LYS 19 - HD2 LYS 24 poor 19 89 25 86 3.0-17.8 3.0/2631=3, 276=2...(78) HG2 LYS 19 - HD3 LYS 24 poor 18 89 25 81 2.7-16.9 3.0/2632=3, 277/1.8=2...(64) HG2 LYS 24 - HD3 LYS 19 poor 18 89 20 - 2.1-17.8 QB ALA 29 - HD2 LYS 31 far 15 100 15 - 2.5-9.8 HG3 LYS 26 - HD3 LYS 31 far 15 100 15 - 3.4-15.4 QB ALA 15 - HD2 LYS 31 far 15 100 15 - 3.6-21.3 QB ALA 28 - HD2 LYS 24 far 15 100 15 - 4.4-13.3 QB ALA 28 - HD3 LYS 24 far 15 100 15 - 4.8-12.7 QB ALA 28 - HD2 LYS 31 poor 14 100 30 47 2.1-10.6 6304/10771=24, ~10771=15...(8) HG2 LYS 24 - HD2 LYS 19 poor 13 89 25 60 3.2-16.1 793/5.2=2, 835/3.9=2...(5) QB ALA 15 - HD2 LYS 19 far 13 89 15 - 3.7-12.8 QB ALA 29 - HD3 LYS 31 poor 12 100 30 40 3.0-9.8 ~10782=20, 3.7/7749=6...(9) QB ALA 28 - HD3 LYS 31 poor 12 100 25 47 2.9-9.7 6304/10771=20, ~10771=18...(8) HG3 LYS 26 - HD3 LYS 24 far 10 100 10 - 3.7-11.0 QB ALA 29 - HD2 LYS 26 far 10 100 10 - 4.7-11.1 QB ALA 29 - HD3 LYS 26 far 10 100 10 - 4.5-11.4 HG3 LYS 26 - HD2 LYS 24 far 10 100 10 - 5.3-11.0 HG3 LYS 26 - HD2 LYS 36 far 9 92 10 - 4.8-22.9 HB2 LEU 42 - HD3 LYS 36 far 9 91 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 9 91 10 - 4.0-11.4 QB ALA 15 - HD3 LYS 19 far 9 89 10 - 3.8-12.9 QB ALA 28 - HD3 LYS 19 far 9 89 10 - 4.6-21.9 HG3 LYS 31 - HD3 LYS 36 far 9 88 10 - 4.6-13.4 HG3 LYS 31 - HD2 LYS 36 far 9 88 10 - 4.8-13.4 QB ALA 12 - HD3 LYS 24 far 8 78 10 - 4.3-18.1 QB ALA 110 - HD3 LYS 26 far 5 100 5 - 2.4-29.3 QB ALA 15 - HD3 LYS 24 far 5 100 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 5 100 5 - 3.6-30.2 HG3 LYS 26 - HD2 LYS 31 far 5 100 5 - 3.6-15.7 QB ALA 15 - HD2 LYS 24 far 5 100 5 - 4.1-17.3 HG3 LYS 95 - HD2 LYS 24 far 5 100 5 - 3.4-37.4 HG3 LYS 95 - HD3 LYS 24 far 5 100 5 - 3.7-36.4 QB ALA 108 - HD3 LYS 24 far 5 100 5 - 4.5-33.1 QB ALA 29 - HD3 LYS 24 far 5 100 5 - 5.3-12.6 QB ALA 29 - HD2 LYS 24 far 5 100 5 - 5.3-13.3 QB ALA 28 - HD2 LYS 26 far 5 100 5 - 5.4-9.5 HG2 LYS 36 - HD3 LYS 26 far 5 100 5 - 5.1-24.7 QB ALA 108 - HD2 LYS 24 far 5 100 5 - 5.1-33.9 HG2 LYS 24 - HD3 LYS 26 far 5 100 5 - 5.2-11.4 QB ALA 108 - HD3 LYS 26 far 5 100 5 - 4.8-26.0 HG2 LYS 95 - HD3 LYS 24 far 5 99 5 - 4.1-36.2 HG2 LYS 95 - HD2 LYS 24 far 5 99 5 - 4.4-37.2 QB ALA 109 - HD2 LYS 26 far 5 99 5 - 4.4-27.7 QB ALA 109 - HD3 LYS 26 far 5 99 5 - 5.1-28.1 QB ALA 29 - HD3 LYS 36 far 5 92 5 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 5 92 5 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 5 92 5 - 5.3-25.5 HG3 LYS 31 - HD3 LYS 19 far 4 85 5 - 4.1-26.6 HG3 LYS 31 - HD2 LYS 19 far 4 85 5 - 4.6-25.3 QB ALA 12 - HD2 LYS 24 far 4 78 5 - 5.6-18.4 QB ALA 16 - HD2 LYS 24 far 4 76 5 - 4.9-17.1 QB ALA 16 - HD3 LYS 24 far 4 76 5 - 5.7-16.6 QB ALA 16 - HD2 LYS 31 far 4 76 5 - 5.3-24.0 QB ALA 16 - HD2 LYS 19 far 3 62 5 - 4.8-11.3 QB ALA 16 - HD3 LYS 19 far 3 62 5 - 5.4-11.1 QB ALA 12 - HD2 LYS 19 lone 0 64 40 2 2.2-15.1 HG2 LYS 24 - HD2 LYS 26 far 0 100 0 - 5.8-11.1 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 98 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 89 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 92 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 98 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 100 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 100 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 76 0 - 6.3-25.2 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 92 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 87 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 78 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 64 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 89 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 89 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 89 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 87 0 - 7.1-42.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 92 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 89 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 64 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 89 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 100 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 19 far 0 89 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 88 0 - 7.8-23.7 QB ALA 109 - HD3 LYS 24 far 0 99 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 100 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 92 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 100 0 - 8.2-26.1 QB ALA 28 - HD3 LYS 36 far 0 92 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 99 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 92 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 89 0 - 8.4-23.4 QB ALA 16 - HD2 LYS 26 far 0 76 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 75 0 - 8.7-20.3 QB ALA 108 - HD3 LYS 19 far 0 89 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 89 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.2-24.1 HG3 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 100 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 89 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 66 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 77 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 100 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 66 0 - 9.8-25.2 HB2 LEU 96 - HD3 LYS 24 far 0 100 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 654 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 * HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 87 87 - 100 HD3 LYS 36 + HD3 LYS 36 OK 87 87 - 100 HD3 LYS 19 + HD3 LYS 19 OK 83 83 - 100 HD2 LYS 19 + HD2 LYS 19 OK 83 83 - 100 Peak 655 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 85 85 - 100 HD3 LYS 19 + HD3 LYS 19 OK 85 85 - 100 HD3 LYS 36 + HD3 LYS 36 OK 84 84 - 100 HD2 LYS 36 + HD2 LYS 36 OK 84 84 - 100 Reference assignment not found: HD3 LYS 26 - HD2 LYS 26 Peak 656 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 3.73 A): 20 out of 102 assignments used, quality = 1.00: HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.4-3.0 2.9=100 HE2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE3 LYS 36 - HD3 LYS 26 poor 20 99 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 19 97 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 18 92 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 16 82 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 16 82 20 - 2.7-18.2 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 15 99 15 - 3.3-25.8 HE2 LYS 26 - HD2 LYS 36 far 14 92 15 - 3.3-25.2 HE3 LYS 24 - HD3 LYS 19 far 13 88 15 - 2.2-19.0 HB2 CYS 45 - HD3 LYS 36 poor 12 60 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 12 60 20 - 4.5-10.8 HE2 LYS 19 - HD3 LYS 24 far 10 98 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 10 97 10 - 1.9-25.5 HE3 LYS 26 - HD3 LYS 36 far 9 92 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 92 10 - 3.6-14.4 HE2 LYS 31 - HD2 LYS 36 far 9 91 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 91 10 - 4.3-13.8 HE3 LYS 24 - HD2 LYS 19 far 9 88 10 - 2.9-18.4 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE2 LYS 26 - HD3 LYS 31 far 5 100 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.9-15.3 HE3 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.6-14.9 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.2-17.8 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 31 far 5 97 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 31 far 5 97 5 - 4.6-13.1 HE2 LYS 24 - HD3 LYS 31 far 5 96 5 - 4.7-18.8 HE2 LYS 26 - HD3 LYS 36 far 5 92 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 5 92 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 24 far 0 97 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 98 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 99 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 97 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 96 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 84 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 99 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 70 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 71 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 96 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 99 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 84 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 99 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 71 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 90 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 90 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 71 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 71 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 88 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 88 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 7.9-25.4 HE3 LYS 24 - HD3 LYS 36 far 0 90 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 71 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 84 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 84 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 657 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 3.73 A): 20 out of 102 assignments used, quality = 1.00: * HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.4-3.0 2.9=100 HE2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE3 LYS 36 - HD3 LYS 26 poor 20 99 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 19 97 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 18 92 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 16 82 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 16 82 20 - 2.7-18.2 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 15 99 15 - 3.3-25.8 HE2 LYS 26 - HD2 LYS 36 far 14 92 15 - 3.3-25.2 HE3 LYS 24 - HD3 LYS 19 far 13 88 15 - 2.2-19.0 HB2 CYS 45 - HD3 LYS 36 poor 12 60 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 12 60 20 - 4.5-10.8 HE2 LYS 19 - HD3 LYS 24 far 10 98 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 10 97 10 - 1.9-25.5 HE3 LYS 26 - HD3 LYS 36 far 9 92 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 92 10 - 3.6-14.4 HE2 LYS 31 - HD2 LYS 36 far 9 91 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 91 10 - 4.3-13.8 HE3 LYS 24 - HD2 LYS 19 far 9 88 10 - 2.9-18.4 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE2 LYS 26 - HD3 LYS 31 far 5 100 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.9-15.3 HE3 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.6-14.9 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.2-17.8 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 31 far 5 97 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 31 far 5 97 5 - 4.6-13.1 HE2 LYS 24 - HD3 LYS 31 far 5 96 5 - 4.7-18.8 HE2 LYS 26 - HD3 LYS 36 far 5 92 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 5 92 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 24 far 0 97 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 98 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 99 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 97 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 96 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 84 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 99 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 70 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 71 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 96 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 99 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 84 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 99 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 71 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 90 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 90 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 71 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 71 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 88 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 88 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 7.9-25.4 HE3 LYS 24 - HD3 LYS 36 far 0 90 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 71 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 84 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 84 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 659 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 6.80 A): 19 out of 66 assignments used, quality = 1.00: * H LYS 26 + HD3 LYS 26 OK 100 100 100 100 3.5-5.4 5.7=100 H LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.3-5.7 5.7=100 H LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-5.9 5.9=100 H LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-5.6 5.9=100 H GLN 27 + HD3 LYS 26 OK 87 87 100 100 3.5-5.7 6262/3.5=80, 6263/3.5=79...(22) H GLN 27 + HD2 LYS 26 OK 86 86 100 100 2.0-6.3 6262/3.5=80, 6263/3.5=79...(23) H ASP 35 + HD2 LYS 36 OK 73 73 100 100 2.4-7.7 6387/6.1=75...(14) H ASP 35 + HD3 LYS 36 OK 73 73 100 99 3.1-7.2 6387/6.1=75...(13) H LYS 19 + HD2 LYS 19 OK 71 71 100 100 1.9-5.3 6.2=100 H LYS 19 + HD3 LYS 19 OK 71 71 100 100 3.3-5.1 6.2=100 H LYS 26 + HD3 LYS 31 OK 63 100 65 96 5.2-13.7 6295/10771=11, ~790=7...(96) H LYS 26 + HD3 LYS 24 OK 59 100 80 74 3.0-10.1 6245/555=34...(8) H LYS 26 + HD2 LYS 31 OK 58 100 60 96 5.1-14.0 6295/10771=14, ~790=7...(91) H LYS 26 + HD2 LYS 24 OK 46 100 65 71 3.6-10.0 6245/555=36...(8) H LYS 19 + HD2 LYS 24 OK 34 80 45 94 5.4-15.5 ~822=6, 523/3.0=5...(88) H LYS 19 + HD3 LYS 24 OK 34 80 45 93 3.9-15.4 ~822=6, 523/3.0=5...(86) H LYS 24 + HD2 LYS 26 OK 25 100 70 35 4.6-11.7 6228/6237=20...(8) H GLN 27 + HD2 LYS 31 OK 22 86 50 52 5.5-12.0 4.6/10771=40, 6266=4...(7) H GLN 27 + HD3 LYS 31 OK 20 86 50 47 4.9-12.0 4.6/10771=34, 6266/1.8=4...(7) H LYS 24 - HD2 LYS 31 poor 20 100 20 - 5.7-17.0 H LYS 24 - HD3 LYS 26 poor 19 100 60 32 5.8-10.7 6228/6237=14...(9) H LYS 24 - HD3 LYS 31 far 15 100 15 - 6.9-18.4 H LYS 26 - HD2 LYS 36 far 13 87 15 - 6.3-21.8 H LYS 26 - HD3 LYS 36 far 13 87 15 - 7.4-22.6 H LYS 19 - HD2 LYS 31 far 12 80 15 - 5.6-22.1 H GLN 27 - HD2 LYS 36 far 10 70 15 - 7.6-19.6 H GLY 14 - HD3 LYS 24 far 10 100 10 - 7.6-22.9 H GLY 14 - HD2 LYS 24 far 10 99 10 - 7.0-23.3 H THR 65 - HD3 LYS 26 far 10 97 10 - 7.3-23.6 H THR 65 - HD3 LYS 31 far 10 97 10 - 5.0-20.3 H THR 65 - HD2 LYS 31 far 10 97 10 - 4.7-21.2 H THR 65 - HD2 LYS 24 far 10 97 10 - 7.9-25.1 H LYS 26 - HD3 LYS 19 far 9 94 10 - 5.0-22.4 H ASP 35 - HD3 LYS 24 far 9 90 10 - 5.7-27.1 H ASP 35 - HD2 LYS 24 far 9 89 10 - 6.2-25.7 H ASP 35 - HD2 LYS 31 far 9 89 10 - 7.3-13.8 H THR 65 - HD2 LYS 36 far 8 82 10 - 7.2-16.7 H LYS 19 - HD3 LYS 31 far 8 80 10 - 6.3-22.9 H GLN 27 - HD3 LYS 19 far 8 77 10 - 7.6-23.8 H GLN 27 - HD2 LYS 19 far 8 77 10 - 7.9-22.1 H GLN 27 - HD2 LYS 24 lone 7 86 45 17 3.3-12.1 4.6/6255=7...(4) H LYS 24 - HD2 LYS 19 lone 5 94 35 16 5.3-14.1 424/5.2=6, 6223/828=2...(5) H GLY 14 - HD3 LYS 31 far 5 100 5 - 7.7-24.5 H HIS 3 - HD3 LYS 31 far 5 98 5 - 7.2-51.0 H ASP 35 - HD3 LYS 26 lone 5 90 45 12 4.8-23.5 11784/10812=5...(3) H THR 65 - HD2 LYS 26 far 5 97 5 - 6.2-24.3 H HIS 3 - HD2 LYS 31 far 5 97 5 - 7.8-51.2 H THR 65 - HD3 LYS 24 far 5 97 5 - 6.6-24.1 H LYS 26 - HD2 LYS 19 far 5 94 5 - 5.4-20.7 H ASP 35 - HD2 LYS 26 lone 5 90 40 13 4.4-23.7 11784/10837=5...(4) H ASP 35 - HD3 LYS 31 far 4 90 5 - 8.1-13.1 H LYS 24 - HD2 LYS 36 far 4 87 5 - 5.7-24.8 H LYS 24 - HD3 LYS 36 far 4 87 5 - 7.3-25.4 H GLN 27 - HD3 LYS 24 lone 4 86 25 19 1.8-12.6 10758/10696=7...(4) H THR 65 - HD3 LYS 36 far 4 82 5 - 8.1-16.3 H LYS 19 - HD3 LYS 26 far 4 81 5 - 6.6-21.2 H LYS 19 - HD2 LYS 26 far 4 80 5 - 7.1-20.9 H GLN 27 - HD3 LYS 36 far 3 70 5 - 6.2-20.4 H LYS 24 - HD3 LYS 19 lone 3 94 25 14 4.0-15.8 424/5.2=6, 6223/828=2...(4) H LYS 19 - HD3 LYS 36 far 3 64 5 - 7.2-31.2 H LYS 19 - HD2 LYS 36 far 3 64 5 - 7.9-30.4 H GLY 14 - HD2 LYS 19 lone 2 93 50 5 2.6-18.0 10659/3.0=1 H GLY 14 - HD3 LYS 19 lone 2 93 40 5 4.3-18.2 10659/3.0=1 H THR 65 - HD3 LYS 19 far 0 89 0 - 8.9-31.2 H GLY 14 - HD2 LYS 31 far 0 99 0 - 9.2-24.0 H HIS 3 - HD2 LYS 26 far 0 98 0 - 9.6-54.3 Violated in 0 structures by 0.00 A. Peak 660 from cnoeabs.peaks (4.27, 1.66, 28.90 ppm; 4.33 A): 19 out of 155 assignments used, quality = 1.00: * HA LYS 26 + HD3 LYS 26 OK 99 100 100 99 2.1-5.1 5.0=66, ~6252=35...(32) HA LYS 26 + HD2 LYS 26 OK 99 100 100 99 2.1-5.4 5.0=66, ~6252=35...(32) HA LYS 31 + HD3 LYS 31 OK 97 98 100 99 2.0-4.9 5.2=57, ~6332=28...(38) HA LYS 31 + HD2 LYS 31 OK 97 98 100 99 2.0-5.4 5.2=57, ~6332=28...(38) HA LYS 19 + HD3 LYS 19 OK 92 94 100 99 2.0-4.8 5.2=59, ~6151=28...(43) HA LYS 19 + HD2 LYS 19 OK 92 94 100 99 2.0-4.5 5.2=59, ~6151=28...(43) HA LYS 36 + HD3 LYS 36 OK 85 85 100 100 3.0-5.3 5.3=56, ~6395=34...(33) HA LYS 36 + HD2 LYS 36 OK 85 85 100 100 3.5-5.3 5.3=56, ~6395=34...(33) HA THR 25 + HD3 LYS 24 OK 37 78 50 95 3.3-8.1 ~6234=25, 11128/3.5=23...(26) HA THR 25 + HD2 LYS 24 OK 37 77 50 95 2.7-7.9 ~6234=25, 11128/3.5=23...(26) HA THR 25 + HD2 LYS 26 OK 35 78 50 89 3.7-8.6 582/5.7=28, 11128/3.5=19...(22) HA LYS 19 + HD3 LYS 24 OK 34 100 40 85 2.2-14.1 822/3.0=5, 241/3.0=4...(76) HA LYS 31 + HD3 LYS 26 OK 29 99 30 98 4.2-17.5 3.0/6336=6, 790/3.5=4...(175) HA THR 25 + HD3 LYS 26 OK 28 78 40 90 4.5-8.0 582/5.7=28, 11128/3.5=19...(22) HA LYS 19 + HD2 LYS 24 OK 27 100 30 89 3.3-14.3 822/3.0=5, 241/3.0=4...(106) HA LYS 31 + HD2 LYS 26 OK 24 98 25 98 4.7-17.2 3.0/6336=6, ~6336=4...(181) HA LYS 26 + HD2 LYS 31 OK 23 100 25 92 2.5-14.0 790/3.5=6, 822/2.9=6...(95) HA ARG 23 + HD2 LYS 26 OK 22 88 45 54 3.1-12.9 3.8/3938=2, 6240/6237=2...(13) HA ARG 23 + HD3 LYS 26 OK 22 89 40 61 3.6-13.1 4.9/11449=10...(16) HA LYS 26 - HD3 LYS 31 poor 20 100 20 - 4.2-13.7 HA GLN 27 - HD2 LYS 26 poor 18 70 25 - 4.9-7.8 HA ALA 12 - HD2 LYS 19 poor 16 81 20 - 4.1-20.6 HA ALA 21 - HD3 LYS 24 poor 16 80 20 - 3.1-12.2 HA ARG 23 - HD3 LYS 24 poor 16 88 30 61 3.5-8.6 424/5.9=30, ~821=7...(16) HA ALA 21 - HD2 LYS 24 poor 16 80 20 - 3.9-12.1 HA ARG 23 - HD2 LYS 24 poor 16 88 30 60 3.9-8.4 424/5.9=30, ~821=7...(16) HA THR 18 - HD2 LYS 19 poor 13 66 20 - 2.6-7.9 HA LYS 31 - HD2 LYS 36 far 13 83 15 - 4.5-11.5 HA ALA 12 - HD3 LYS 19 far 12 81 15 - 3.2-20.9 HA ALA 15 - HD2 LYS 19 far 12 81 15 - 4.3-14.9 HA THR 25 - HD2 LYS 31 far 12 77 15 - 4.3-15.2 HA THR 18 - HD3 LYS 24 far 11 75 15 - 2.0-15.2 HA GLN 27 - HD3 LYS 26 far 11 71 15 - 4.8-8.0 HA LEU 22 - HD2 LYS 24 poor 11 100 30 35 2.8-10.2 11967/3.0=8, 6212/5.9=6...(9) HA GLN 27 - HD2 LYS 31 far 10 70 15 - 4.9-12.0 HA LYS 36 - HD2 LYS 26 far 10 99 10 - 4.9-28.2 HA ALA 15 - HD3 LYS 31 far 9 90 10 - 5.3-25.6 HA LEU 22 - HD3 LYS 24 poor 9 100 25 35 3.9-9.9 11967/3.0=8, 6212/5.9=6...(9) HA ALA 15 - HD3 LYS 19 far 8 81 10 - 4.4-14.7 HA THR 25 - HD3 LYS 31 far 8 78 10 - 4.3-14.5 HA GLN 27 - HD3 LYS 24 far 7 70 10 - 4.5-14.4 HA GLN 27 - HD2 LYS 24 far 7 70 10 - 5.6-13.6 HA THR 18 - HD3 LYS 19 far 7 66 10 - 4.3-7.5 HA LYS 26 - HD3 LYS 24 far 5 100 5 - 4.6-10.7 HA LEU 22 - HD2 LYS 26 far 5 100 5 - 5.5-15.0 HA LYS 36 - HD3 LYS 26 far 5 99 5 - 5.8-27.5 HA ALA 109 - HD3 LYS 26 far 5 99 5 - 4.8-33.6 HA ALA 16 - HD2 LYS 31 far 5 98 5 - 4.9-27.6 HA ALA 108 - HD2 LYS 26 far 5 98 5 - 4.8-33.2 HA GLN 61 - HD3 LYS 26 far 5 96 5 - 4.2-26.3 HA GLN 61 - HD2 LYS 26 far 5 95 5 - 4.2-27.0 HA ALA 110 - HD3 LYS 26 far 5 92 5 - 4.9-35.3 HA LYS 31 - HD2 LYS 19 far 5 91 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 5 91 5 - 3.5-28.9 HA ALA 15 - HD3 LYS 24 far 4 90 5 - 5.0-21.8 HA ALA 15 - HD2 LYS 24 far 4 89 5 - 5.4-22.2 HA ALA 15 - HD2 LYS 31 far 4 89 5 - 5.7-24.6 HA ARG 23 - HD2 LYS 31 far 4 88 5 - 5.6-16.4 HA LYS 31 - HD3 LYS 36 far 4 83 5 - 5.5-11.8 HA THR 18 - HD3 LYS 31 far 4 75 5 - 4.8-24.1 HA THR 18 - HD2 LYS 24 far 4 75 5 - 3.6-15.2 HA THR 18 - HD2 LYS 31 far 4 75 5 - 4.8-23.0 HA GLN 27 - HD3 LYS 31 far 4 70 5 - 5.8-11.4 HA THR 25 - HD2 LYS 19 far 3 69 5 - 4.9-18.6 HA THR 25 - HD3 LYS 19 far 3 69 5 - 5.3-20.4 HA ALA 21 - HD3 LYS 36 far 3 64 5 - 5.2-27.3 HA ALA 21 - HD2 LYS 36 far 3 64 5 - 5.3-26.7 HA THR 25 - HD2 LYS 36 far 3 62 5 - 4.6-21.6 HA GLN 27 - HD3 LYS 36 far 3 55 5 - 4.1-18.3 HA GLN 27 - HD2 LYS 36 far 3 55 5 - 5.6-17.4 HA ALA 21 - HD3 LYS 26 far 0 81 0 - 5.8-15.9 HA THR 25 - HD3 LYS 36 far 0 62 0 - 5.9-22.2 HA ALA 21 - HD3 LYS 19 far 0 71 0 - 5.9-10.7 HA GLN 61 - HD3 LYS 31 far 0 95 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 99 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 100 0 - 6.0-10.6 HA LEU 22 - HD2 LYS 19 far 0 94 0 - 6.1-11.8 HA ALA 109 - HD2 LYS 26 far 0 98 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 79 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 99 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 88 0 - 6.2-17.8 HA ALA 16 - HD2 LYS 19 far 0 92 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 99 0 - 6.3-29.1 HA LEU 22 - HD3 LYS 19 far 0 94 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 100 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 99 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 91 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 100 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 95 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 59 0 - 6.7-32.3 HA ALA 16 - HD3 LYS 19 far 0 92 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 71 0 - 6.7-11.4 HA THR 18 - HD3 LYS 36 far 0 59 0 - 6.8-33.0 HA ALA 110 - HD2 LYS 19 far 0 82 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 95 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 94 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 90 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 99 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 94 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 79 0 - 7.0-14.4 HA LYS 26 - HD2 LYS 36 far 0 87 0 - 7.0-20.6 HA ALA 16 - HD3 LYS 36 far 0 84 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 98 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 87 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 78 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 80 0 - 7.2-16.4 HA LYS 19 - HD3 LYS 31 far 0 100 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 95 0 - 7.5-26.2 HA GLN 27 - HD2 LYS 19 far 0 62 0 - 7.5-22.5 HA ALA 108 - HD3 LYS 24 far 0 98 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 71 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 71 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 89 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 99 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 99 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 100 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 87 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 98 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 100 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 100 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 82 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 90 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 98 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 76 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 90 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 77 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 62 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 87 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 73 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 98 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 84 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 98 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 79 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 87 0 - 8.5-27.7 HA ALA 109 - HD3 LYS 19 far 0 91 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 87 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 91 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 75 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 80 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 87 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 99 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 91 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 100 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 80 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 98 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 98 0 - 9.5-32.1 HA ALA 12 - HD2 LYS 31 far 0 89 0 - 9.6-26.0 HA ALA 12 - HD3 LYS 31 far 0 90 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 91 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 98 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 100 0 - 9.8-33.3 HA ALA 16 - HD2 LYS 26 far 0 99 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 92 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 87 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 73 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 661 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 4.35 A): 13 out of 64 assignments used, quality = 1.00: * HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.9-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 94 94 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 43 99 45 97 2.4-15.6 639/2.9=7, 628/2.9=7...(117) HB2 LYS 31 + HD2 LYS 26 OK 39 99 40 98 3.3-16.0 639/2.9=7, 628/2.9=7...(145) HB2 LYS 26 + HD2 LYS 31 OK 29 100 30 98 4.5-13.8 10770/10771=15...(175) HB2 LYS 26 + HD3 LYS 31 OK 25 100 25 99 4.1-13.7 10770/10771=13...(196) HB2 LYS 19 + HD3 LYS 24 OK 23 100 25 94 4.7-15.4 823/3.0=4, 1.8/2632=3...(135) HB2 ARG 23 - HD2 LYS 26 poor 20 99 20 - 2.0-13.7 HB2 ARG 23 - HD3 LYS 26 poor 18 100 25 71 3.3-13.9 3.7/11449=14...(22) HB2 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.7-16.1 HB2 LYS 24 - HD2 LYS 19 poor 13 94 30 45 4.1-16.1 514/3.0=1, 790/5.2=1...(4) HB2 LYS 24 - HD3 LYS 19 poor 11 94 25 48 2.7-16.8 514/3.0=1, 790/5.2=1...(5) HB2 ARG 23 - HD3 LYS 24 far 10 99 10 - 4.5-9.5 HB2 LYS 26 - HD3 LYS 24 far 5 100 5 - 2.0-12.6 HB2 LYS 26 - HD2 LYS 24 far 5 100 5 - 3.6-12.6 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-23.5 HB2 LYS 19 - HD3 LYS 26 far 5 100 5 - 5.6-21.9 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.1-23.0 HB2 LYS 24 - HD2 LYS 31 far 5 100 5 - 4.7-17.2 HB2 ARG 23 - HD2 LYS 31 far 5 99 5 - 5.5-17.1 HB2 ARG 23 - HD2 LYS 24 far 5 99 5 - 5.8-9.7 HB2 LYS 31 - HD2 LYS 19 far 5 92 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 5 92 5 - 5.5-29.5 HB2 LYS 24 - HD2 LYS 36 far 4 86 5 - 3.0-25.5 HB2 LYS 26 - HD2 LYS 36 far 4 87 5 - 5.6-20.8 HB2 LYS 24 - HD3 LYS 36 far 4 86 5 - 4.2-25.9 HB2 ARG 23 - HD3 LYS 36 far 4 86 5 - 5.5-23.2 HB2 LYS 31 - HD2 LYS 36 far 4 84 5 - 5.5-12.6 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.9-18.6 HB2 ARG 23 - HD2 LYS 36 far 0 86 0 - 6.0-22.4 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.1-12.1 HB2 LYS 26 - HD3 LYS 36 far 0 87 0 - 6.1-21.8 HB2 LYS 31 - HD3 LYS 24 far 0 99 0 - 6.2-19.4 HB2 ARG 23 - HD3 LYS 31 far 0 99 0 - 6.2-18.0 HB2 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.2-21.7 HB2 ARG 23 - HD2 LYS 19 far 0 93 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 84 0 - 6.5-12.1 HB2 LYS 26 - HD3 LYS 19 far 0 94 0 - 6.6-24.6 HB2 LYS 31 - HD2 LYS 24 far 0 98 0 - 6.7-18.3 HB2 LEU 43 - HD3 LYS 36 far 0 59 0 - 7.0-17.8 HB2 LYS 26 - HD2 LYS 19 far 0 94 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 80 0 - 7.5-15.4 HB2 LEU 43 - HD3 LYS 24 far 0 75 0 - 7.6-30.2 HB2 LEU 43 - HD2 LYS 36 far 0 59 0 - 7.7-16.6 HB2 ARG 23 - HD3 LYS 19 far 0 93 0 - 8.0-15.0 HB2 LEU 43 - HD2 LYS 24 far 0 75 0 - 8.4-31.6 HB2 LYS 39 - HD3 LYS 24 far 0 96 0 - 8.5-31.4 HB2 LEU 43 - HD2 LYS 31 far 0 75 0 - 8.6-24.3 HB2 LYS 39 - HD2 LYS 36 far 0 80 0 - 8.9-14.2 HB2 LYS 19 - HD3 LYS 36 far 0 87 0 - 9.2-30.9 HB2 LEU 43 - HD3 LYS 31 far 0 75 0 - 9.5-22.7 HG LEU 100 - HD2 LYS 31 far 0 64 0 - 9.6-21.5 HB2 LEU 43 - HD3 LYS 26 far 0 76 0 - 9.7-30.1 HB2 LYS 39 - HD2 LYS 19 far 0 88 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 65 0 - 9.9-21.8 HB2 LEU 43 - HD2 LYS 26 far 0 75 0 - 9.9-30.2 HB2 LYS 39 - HD2 LYS 24 far 0 96 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 662 from cnoeabs.peaks (1.82, 1.66, 28.90 ppm; 4.16 A): 20 out of 73 assignments used, quality = 1.00: * HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.1 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.1-3.8 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.5-4.2 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 92 92 100 100 2.1-3.7 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 92 92 100 100 2.2-3.7 3.9=100 HB2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.0-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.1-4.0 3.5=100 HB ILE 32 + HD2 LYS 36 OK 65 87 75 99 2.1-6.8 ~10901=30, 2.1/10837=27...(56) HB ILE 32 + HD3 LYS 36 OK 52 87 60 99 2.3-8.3 ~10901=30, 2.1/10837=26...(60) HB3 LYS 31 + HD2 LYS 26 OK 38 99 40 96 2.9-17.3 629/2.9=7, 640/2.9=5...(143) HB3 LYS 31 + HD3 LYS 26 OK 38 99 40 95 3.4-17.4 629/2.9=7, 640/2.9=5...(110) HB3 LYS 19 + HD2 LYS 24 OK 31 98 35 91 2.0-16.0 2631=3, 824/3.0=3...(117) HB3 LYS 19 + HD3 LYS 24 OK 30 99 35 86 3.5-15.3 2632=3, 824/3.0=3...(84) HB3 LYS 26 + HD2 LYS 31 OK 29 100 30 98 4.2-14.4 10769/10771=15...(191) HB ILE 32 + HD3 LYS 31 OK 26 100 30 86 4.1-9.2 3.0/10763=9, 10752/5.2=8...(53) HB ILE 32 + HD3 LYS 26 OK 25 100 30 85 4.0-17.6 3.0/10763=8, 2.1/10812=8...(45) HB3 ARG 23 + HD2 LYS 26 OK 20 100 35 58 2.9-14.2 442/5.7=4, ~11618=4...(20) HB2 LYS 36 - HD3 LYS 26 poor 20 100 20 - 4.4-27.1 HB ILE 32 - HD2 LYS 26 poor 20 100 20 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 poor 20 100 20 - 4.5-14.4 HB2 LYS 36 - HD2 LYS 26 poor 20 100 20 - 5.1-27.9 HB3 ARG 23 - HD3 LYS 26 poor 20 100 30 65 2.9-14.6 3.7/11449=13...(15) HB3 LYS 24 - HD3 LYS 19 poor 19 93 20 - 2.0-16.3 HB ILE 32 - HD2 LYS 31 far 15 100 15 - 5.5-9.5 HB3 LYS 24 - HD2 LYS 19 far 14 93 15 - 3.7-15.7 HB3 ARG 23 - HD3 LYS 24 far 10 100 10 - 5.2-9.3 HB3 LYS 24 - HD3 LYS 36 far 9 86 10 - 5.5-25.2 HB3 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-12.3 HB3 LYS 26 - HD2 LYS 24 far 5 100 5 - 5.1-12.6 HB2 LYS 36 - HD2 LYS 31 far 5 100 5 - 5.0-15.5 HB3 LYS 24 - HD2 LYS 31 far 5 99 5 - 5.4-17.9 HB3 LYS 31 - HD2 LYS 19 far 5 92 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 5 92 5 - 4.1-28.8 HB3 ARG 23 - HD3 LYS 36 far 4 86 5 - 4.9-23.1 HB3 LYS 24 - HD2 LYS 36 far 4 86 5 - 4.2-24.7 HB2 LYS 36 - HD2 LYS 24 far 0 100 0 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 0 86 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 99 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 99 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 87 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 98 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 99 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 100 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 99 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 99 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 99 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 87 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 99 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 84 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 93 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 99 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 100 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 94 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 84 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 94 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 70 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 98 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.7-11.2 HB ILE 32 - HD3 LYS 19 far 0 94 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 93 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 94 0 - 8.1-28.1 HB3 LEU 122 - HD2 LYS 24 far 0 70 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 73 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 100 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 68 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 66 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 73 0 - 9.2-37.9 HB2 CYS 79 - HD2 LYS 36 far 0 66 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 663 from cnoeabs.peaks (1.43, 1.66, 28.90 ppm; 3.31 A): 9 out of 68 assignments used, quality = 1.00: * HG2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 88 88 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 88 88 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 31 OK 25 99 40 63 3.3-9.3 10757/5.2=7, 6333/6.2=5...(32) HG13 ILE 32 - HD2 LYS 26 poor 18 99 30 61 2.5-16.4 ~10767=6, ~10704=5...(31) HG13 ILE 32 - HD3 LYS 31 poor 18 99 30 61 2.0-10.3 10757/5.2=7, 6333/6.2=5...(31) HG13 ILE 32 - HD3 LYS 36 poor 17 85 20 - 3.6-8.5 HG13 ILE 32 - HD2 LYS 36 poor 17 85 20 - 4.2-7.8 HG3 LYS 19 - HD3 LYS 24 far 14 96 15 - 4.4-17.3 HG13 ILE 32 - HD3 LYS 26 poor 14 99 25 57 2.0-15.6 ~10704=5, 920/10763=4...(30) HG2 LYS 26 - HD3 LYS 31 far 10 100 10 - 4.2-16.2 HG2 LYS 31 - HD3 LYS 26 far 10 98 10 - 4.2-17.6 HG3 LYS 19 - HD2 LYS 24 far 10 96 10 - 4.4-17.3 HG2 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-12.2 HG2 LYS 31 - HD2 LYS 26 far 5 98 5 - 3.5-18.0 HG3 LYS 24 - HD3 LYS 19 lone 4 85 25 19 2.0-17.8 525/3.9=2, 284/3.9=1, 597/5.2=1 QB ALA 34 - HD3 LYS 36 far 4 76 5 - 4.1-8.0 QB ALA 34 - HD2 LYS 36 far 4 76 5 - 4.7-8.0 HG3 LYS 24 - HD2 LYS 19 lone 3 85 25 15 2.7-16.7 525/3.9=2, 284/3.9=1, 597/5.2=1 QB ALA 16 - HD2 LYS 19 far 0 54 0 - 4.8-11.3 QB ALA 34 - HD2 LYS 26 far 0 93 0 - 4.9-20.3 QB ALA 16 - HD2 LYS 24 far 0 62 0 - 4.9-17.1 HG2 LYS 26 - HD2 LYS 31 far 0 100 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 87 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.1-12.8 HG3 LYS 24 - HD2 LYS 36 far 0 78 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 83 0 - 5.3-13.7 QB ALA 16 - HD2 LYS 31 far 0 62 0 - 5.3-24.0 QB ALA 16 - HD3 LYS 19 far 0 54 0 - 5.4-11.1 HG2 LYS 31 - HD2 LYS 24 far 0 97 0 - 5.5-17.2 HG2 LYS 31 - HD3 LYS 19 far 0 90 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 90 0 - 5.7-26.4 QB ALA 16 - HD3 LYS 24 far 0 62 0 - 5.7-16.6 HG2 LYS 26 - HD3 LYS 36 far 0 87 0 - 5.7-24.0 HG3 LYS 24 - HD3 LYS 26 far 0 95 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 83 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 94 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 98 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 78 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 92 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 93 0 - 6.2-20.6 QB ALA 16 - HD3 LYS 31 far 0 62 0 - 6.3-25.2 HG3 LYS 19 - HD3 LYS 31 far 0 96 0 - 6.4-26.0 HG3 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 92 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 96 0 - 6.8-25.5 QB ALA 16 - HD3 LYS 36 far 0 48 0 - 6.9-25.7 QB ALA 34 - HD2 LYS 24 far 0 92 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 93 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 99 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 99 0 - 7.4-16.8 QB ALA 16 - HD2 LYS 36 far 0 48 0 - 7.7-25.0 HG3 LYS 19 - HD3 LYS 26 far 0 97 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 94 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 96 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 93 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 92 0 - 8.3-12.7 QB ALA 16 - HD2 LYS 26 far 0 62 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 63 0 - 8.7-20.3 HG2 LYS 26 - HD3 LYS 19 far 0 94 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 94 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 100 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 100 0 - 9.5-27.4 Violated in 0 structures by 0.00 A. Peak 664 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 4.24 A): 11 out of 123 assignments used, quality = 1.00: * HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.2-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 79 79 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.5-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 29 98 30 97 3.0-16.8 834/3.5=4, 5.0/6336=4...(160) QB ALA 15 - HD3 LYS 31 poor 20 100 20 - 3.8-22.6 HG3 LYS 31 - HD2 LYS 26 poor 20 98 20 - 4.8-17.0 HG2 LYS 19 - HD2 LYS 24 poor 19 88 25 86 3.0-17.8 3.0/2631=3, 276=2...(79) HG2 LYS 24 - HD3 LYS 19 poor 19 94 20 - 2.1-17.8 HG2 LYS 19 - HD3 LYS 24 poor 18 88 25 81 2.7-16.9 3.0/2632=3, 277/1.8=2...(63) HG3 LYS 26 - HD3 LYS 31 far 15 100 15 - 3.4-15.4 QB ALA 29 - HD2 LYS 31 far 15 100 15 - 2.5-9.8 QB ALA 28 - HD3 LYS 24 far 15 100 15 - 4.8-12.7 QB ALA 15 - HD2 LYS 31 far 15 100 15 - 3.6-21.3 QB ALA 28 - HD2 LYS 24 far 15 100 15 - 4.4-13.3 HG2 LYS 24 - HD2 LYS 19 poor 14 94 25 60 3.2-16.1 793/5.2=2, 835/3.9=2...(5) QB ALA 15 - HD2 LYS 19 far 14 94 15 - 3.7-12.8 QB ALA 28 - HD2 LYS 31 poor 14 100 30 47 2.1-10.6 6304/10771=23, ~10771=15...(8) QB ALA 28 - HD3 LYS 31 poor 12 100 25 46 2.9-9.7 6304/10771=19, ~10771=17...(8) QB ALA 29 - HD3 LYS 31 poor 12 100 30 39 3.0-9.8 ~10782=20, 3.7/7749=6...(9) HG3 LYS 26 - HD3 LYS 24 far 10 100 10 - 3.7-11.0 QB ALA 29 - HD3 LYS 26 far 10 100 10 - 4.5-11.4 QB ALA 29 - HD2 LYS 26 far 10 100 10 - 4.7-11.1 HG3 LYS 26 - HD2 LYS 24 far 10 100 10 - 5.3-11.0 QB ALA 15 - HD3 LYS 19 far 9 94 10 - 3.8-12.9 QB ALA 28 - HD3 LYS 19 far 9 94 10 - 4.6-21.9 HG3 LYS 26 - HD2 LYS 36 far 9 87 10 - 4.8-22.9 HB2 LEU 42 - HD3 LYS 36 far 9 86 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 9 86 10 - 4.0-11.4 HG3 LYS 31 - HD3 LYS 36 far 8 83 10 - 4.6-13.4 HG3 LYS 31 - HD2 LYS 36 far 8 83 10 - 4.8-13.4 QB ALA 12 - HD3 LYS 24 far 8 78 10 - 4.3-18.1 QB ALA 110 - HD3 LYS 26 far 5 100 5 - 2.4-29.3 QB ALA 15 - HD3 LYS 24 far 5 100 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 5 100 5 - 3.6-30.2 HG3 LYS 26 - HD2 LYS 31 far 5 100 5 - 3.6-15.7 HG2 LYS 36 - HD3 LYS 26 far 5 100 5 - 5.1-24.7 QB ALA 108 - HD3 LYS 26 far 5 100 5 - 4.8-26.0 HG2 LYS 24 - HD3 LYS 26 far 5 100 5 - 5.2-11.4 HG3 LYS 95 - HD3 LYS 24 far 5 100 5 - 3.7-36.4 QB ALA 15 - HD2 LYS 24 far 5 100 5 - 4.1-17.3 QB ALA 108 - HD3 LYS 24 far 5 100 5 - 4.5-33.1 QB ALA 29 - HD3 LYS 24 far 5 100 5 - 5.3-12.6 QB ALA 28 - HD2 LYS 26 far 5 100 5 - 5.4-9.5 HG3 LYS 95 - HD2 LYS 24 far 5 99 5 - 3.4-37.4 QB ALA 29 - HD2 LYS 24 far 5 100 5 - 5.3-13.3 QB ALA 108 - HD2 LYS 24 far 5 100 5 - 5.1-33.9 HG2 LYS 95 - HD3 LYS 24 far 5 99 5 - 4.1-36.2 QB ALA 109 - HD3 LYS 26 far 5 99 5 - 5.1-28.1 HG2 LYS 95 - HD2 LYS 24 far 5 99 5 - 4.4-37.2 QB ALA 109 - HD2 LYS 26 far 5 99 5 - 4.4-27.7 HG3 LYS 31 - HD3 LYS 19 far 4 90 5 - 4.1-26.6 HG3 LYS 31 - HD2 LYS 19 far 4 90 5 - 4.6-25.3 QB ALA 29 - HD3 LYS 36 far 4 87 5 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 4 87 5 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 4 87 5 - 5.3-25.5 QB ALA 12 - HD2 LYS 24 far 4 77 5 - 5.6-18.4 QB ALA 16 - HD3 LYS 24 far 4 75 5 - 5.7-16.6 QB ALA 16 - HD2 LYS 24 far 4 75 5 - 4.9-17.1 QB ALA 16 - HD2 LYS 31 far 4 75 5 - 5.3-24.0 QB ALA 16 - HD2 LYS 19 far 3 66 5 - 4.8-11.3 QB ALA 16 - HD3 LYS 19 far 3 66 5 - 5.4-11.1 QB ALA 12 - HD2 LYS 19 lone 1 69 40 2 2.2-15.1 QB ALA 12 - HD3 LYS 19 lone 0 69 30 2 2.1-15.8 HG2 LYS 24 - HD2 LYS 26 far 0 100 0 - 5.8-11.1 HG2 LYS 36 - HD2 LYS 26 far 0 100 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 98 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 94 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 87 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 97 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 100 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 100 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 100 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 75 0 - 6.3-25.2 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 87 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 92 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 77 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 59 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 94 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 88 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 100 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 94 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 92 0 - 7.1-42.5 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 87 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 88 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 59 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 94 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 100 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 19 far 0 94 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 89 0 - 7.8-23.7 QB ALA 109 - HD3 LYS 24 far 0 99 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 100 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 87 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 100 0 - 8.2-26.1 QB ALA 28 - HD3 LYS 36 far 0 87 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 98 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 87 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 88 0 - 8.4-23.4 QB ALA 16 - HD2 LYS 26 far 0 75 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 76 0 - 8.7-20.3 QB ALA 108 - HD3 LYS 19 far 0 94 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 94 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.2-24.1 HG3 LYS 26 - HD2 LYS 19 far 0 94 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 100 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 94 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 62 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 71 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 100 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 62 0 - 9.8-25.2 HB2 LEU 96 - HD3 LYS 24 far 0 100 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 665 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 88 88 - 100 HD3 LYS 19 + HD3 LYS 19 OK 88 88 - 100 HD3 LYS 36 + HD3 LYS 36 OK 82 82 - 100 HD2 LYS 36 + HD2 LYS 36 OK 82 82 - 100 Reference assignment not found: HD2 LYS 26 - HD3 LYS 26 Peak 666 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 90 90 - 100 HD3 LYS 19 + HD3 LYS 19 OK 90 90 - 100 HD3 LYS 36 + HD3 LYS 36 OK 79 79 - 100 HD2 LYS 36 + HD2 LYS 36 OK 79 79 - 100 Peak 667 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 3.73 A): 20 out of 102 assignments used, quality = 1.00: HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 94 94 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE3 LYS 36 + HD2 LYS 36 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 82 82 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 82 82 100 100 2.2-3.0 3.0=100 HE3 LYS 36 - HD3 LYS 26 poor 20 99 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 19 97 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 17 87 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 17 87 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 17 87 20 - 2.7-18.2 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 15 99 15 - 3.3-25.8 HE3 LYS 24 - HD3 LYS 19 far 14 92 15 - 2.2-19.0 HE2 LYS 26 - HD2 LYS 36 far 13 87 15 - 3.3-25.2 HB2 CYS 45 - HD3 LYS 36 poor 11 55 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 11 55 20 - 4.5-10.8 HE2 LYS 19 - HD3 LYS 24 far 10 98 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 10 97 10 - 1.9-25.5 HE3 LYS 24 - HD2 LYS 19 far 9 92 10 - 2.9-18.4 HE3 LYS 26 - HD3 LYS 36 far 9 87 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 87 10 - 3.6-14.4 HE2 LYS 31 - HD2 LYS 36 far 9 86 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 86 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.6-14.9 HE2 LYS 26 - HD3 LYS 31 far 5 100 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.9-15.3 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.2-17.8 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 31 far 5 97 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 31 far 5 97 5 - 4.6-13.1 HE2 LYS 24 - HD3 LYS 31 far 5 95 5 - 4.7-18.8 HE2 LYS 26 - HD3 LYS 36 far 4 87 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 4 87 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 24 far 0 97 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 97 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 99 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 97 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 95 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 79 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 94 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 94 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 98 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 71 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 70 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 95 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 99 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 79 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 96 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 99 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 70 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 94 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 85 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 70 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 94 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 70 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 92 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 92 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 7.9-25.4 HE3 LYS 24 - HD3 LYS 36 far 0 85 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 70 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 97 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 89 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 94 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 89 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 668 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 3.73 A): 20 out of 102 assignments used, quality = 1.00: * HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 94 94 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HE3 LYS 36 + HD2 LYS 36 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 82 82 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 82 82 100 100 2.2-3.0 3.0=100 HE3 LYS 36 - HD3 LYS 26 poor 20 99 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 19 97 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 17 87 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 17 87 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 17 87 20 - 2.7-18.2 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 15 99 15 - 3.3-25.8 HE3 LYS 24 - HD3 LYS 19 far 14 92 15 - 2.2-19.0 HE2 LYS 26 - HD2 LYS 36 far 13 87 15 - 3.3-25.2 HB2 CYS 45 - HD3 LYS 36 poor 11 55 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 11 55 20 - 4.5-10.8 HE2 LYS 19 - HD3 LYS 24 far 10 98 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 10 97 10 - 1.9-25.5 HE3 LYS 24 - HD2 LYS 19 far 9 92 10 - 2.9-18.4 HE3 LYS 26 - HD3 LYS 36 far 9 87 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 87 10 - 3.6-14.4 HE2 LYS 31 - HD2 LYS 36 far 9 86 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 86 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.6-14.9 HE2 LYS 26 - HD3 LYS 31 far 5 100 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.9-15.3 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.2-17.8 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 31 far 5 97 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 31 far 5 97 5 - 4.6-13.1 HE2 LYS 24 - HD3 LYS 31 far 5 95 5 - 4.7-18.8 HE2 LYS 26 - HD3 LYS 36 far 4 87 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 4 87 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 24 far 0 97 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 97 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 99 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 97 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 95 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 79 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 94 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 94 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 98 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 71 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 70 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 95 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 99 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 79 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 96 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 99 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 70 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 94 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 85 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 70 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 94 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 70 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 92 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 92 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 7.9-25.4 HE3 LYS 24 - HD3 LYS 36 far 0 85 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 70 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 97 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 89 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 94 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 89 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 671 from cnoeabs.peaks (4.27, 2.97, 41.80 ppm; 5.55 A): 24 out of 155 assignments used, quality = 1.00: HA LYS 19 + HE3 LYS 19 OK 98 100 100 99 2.0-5.4 6.4=66, 627/3.8=29...(34) * HA LYS 26 + HE2 LYS 26 OK 97 100 100 97 2.7-6.4 6.6=60, 627/3.6=31...(23) HA LYS 26 + HE3 LYS 26 OK 97 100 100 97 3.4-6.0 6.6=60, 627/3.6=31...(23) HA LYS 31 + HE3 LYS 31 OK 96 99 100 98 2.5-5.6 6.5=63, 822/3.7=29...(29) HA LYS 36 + HE3 LYS 36 OK 96 97 100 100 2.9-6.5 6.0=81, 3.0/1064=37...(24) HA LYS 31 + HE2 LYS 31 OK 96 98 100 98 1.9-5.7 6.5=63, 822/3.7=29...(29) HA LYS 19 + HE2 LYS 19 OK 92 94 100 99 3.2-5.7 6.4=66, 627/3.8=29...(34) HA LYS 36 + HE2 LYS 36 OK 90 90 100 100 3.9-6.2 6.0=81, 3.0/1064=37...(25) HA PHE 87 + HE3 LYS 86 OK 83 95 90 97 3.9-7.4 4.9/2704=69...(13) HA THR 18 + HE3 LYS 19 OK 45 75 80 76 4.3-9.2 10686/3.8=39, 226/7.3=28...(8) HA LYS 19 + HE3 LYS 24 OK 44 98 50 91 2.9-16.7 822/4.0=6, 241/4.0=5...(125) HA THR 25 + HE2 LYS 26 OK 41 78 60 87 2.9-9.2 582/7.1=32, 11150/3.6=22...(13) HA THR 25 + HE2 LYS 24 OK 39 62 70 91 2.0-8.6 11128/5.1=25, 9587=20...(16) HA THR 25 + HE3 LYS 26 OK 34 78 50 87 2.2-9.3 582/7.1=32, 11150/3.6=22...(13) HA LYS 31 + HE3 LYS 26 OK 34 99 35 97 5.3-18.9 3.0/6338=7, ~6338=6...(173) HA THR 25 + HE3 LYS 24 OK 33 74 50 90 2.3-9.0 11128/5.1=25...(15) HA LYS 19 + HE2 LYS 24 OK 32 87 40 93 1.9-16.1 822/4.0=6, 241/4.0=5...(160) HA LYS 26 + HE3 LYS 31 OK 32 100 35 92 4.4-13.1 790/4.8=7, 822/3.7=7...(131) HA LYS 26 + HE2 LYS 31 OK 32 100 35 91 5.0-12.6 790/4.8=7, 822/3.7=7...(129) HA ARG 23 + HE2 LYS 26 OK 31 89 55 63 2.7-12.5 3.8/11618=9, 627/3.6=3...(32) HA THR 18 + HE2 LYS 19 OK 30 66 60 76 2.7-8.8 10686/3.8=39, 226/7.3=28...(8) HA LYS 31 + HE2 LYS 26 OK 29 99 30 97 5.0-18.9 3.0/6338=7, ~6338=6...(173) HA ARG 23 + HE3 LYS 26 OK 28 89 50 64 2.0-13.5 3.8/11618=6, 627/3.6=3...(36) HA LYS 36 + HE3 LYS 26 OK 26 99 35 75 3.5-29.4 3.0/1003=11, ~1004=8...(36) HA ALA 21 - HE2 LYS 24 poor 19 64 30 - 2.6-12.5 HA LYS 36 - HE2 LYS 26 poor 19 99 25 77 3.2-29.7 3.0/1004=10, ~1004=8...(41) HA ALA 12 - HE3 LYS 19 poor 18 89 20 - 4.5-19.2 HA GLN 27 - HE2 LYS 26 poor 18 71 40 63 3.2-8.6 ~6267=22, ~6266=22...(12) HA ARG 23 - HE2 LYS 24 poor 17 71 40 61 6.3-9.4 424/7.4=32, 833/4.0=8...(15) HA ARG 23 - HE3 LYS 24 poor 17 84 35 58 5.5-9.3 424/7.4=32, 833/4.0=8...(13) HA GLN 27 - HE3 LYS 26 poor 16 71 35 63 3.7-8.8 ~6267=22, ~6266=22...(12) HA THR 25 - HE2 LYS 31 poor 15 77 20 - 3.1-14.8 HA LEU 22 - HE2 LYS 26 far 15 100 15 - 4.0-14.7 HA ALA 16 - HE3 LYS 19 far 15 98 15 - 4.9-11.6 HA LYS 26 - HE3 LYS 36 far 15 98 15 - 6.7-22.7 HA THR 18 - HE3 LYS 24 poor 14 72 20 - 4.1-17.6 HA ALA 16 - HE2 LYS 19 far 14 92 15 - 5.1-12.4 HA LYS 31 - HE3 LYS 36 poor 13 96 45 31 4.8-12.9 10753/10804=4...(5) HA GLN 27 - HE3 LYS 36 poor 13 67 20 - 3.3-19.2 HA ARG 23 - HE3 LYS 36 far 13 84 15 - 6.1-25.9 HA LEU 22 - HE3 LYS 24 poor 12 98 40 31 1.9-11.8 11967/4.0=13, 6212/7.4=7...(8) HA GLN 27 - HE2 LYS 36 poor 12 60 20 - 4.2-18.7 HA THR 18 - HE2 LYS 24 poor 12 59 20 - 4.8-17.4 HA THR 25 - HE3 LYS 31 far 12 78 15 - 2.8-14.8 HA LEU 22 - HE2 LYS 24 poor 10 87 40 30 3.0-11.0 11967/4.0=13, 6212/7.4=7...(7) HA LEU 22 - HE3 LYS 26 far 10 100 10 - 5.2-15.2 HA ALA 16 - HE3 LYS 31 far 10 99 10 - 5.0-28.0 HA LYS 26 - HE3 LYS 24 far 10 98 10 - 6.6-11.5 HA LYS 26 - HE2 LYS 36 far 9 92 10 - 5.2-22.3 HA ARG 23 - HE2 LYS 31 far 9 88 10 - 6.0-17.4 HA LYS 26 - HE2 LYS 24 far 9 87 10 - 5.6-11.4 HA LYS 31 - HE2 LYS 36 poor 8 89 25 36 5.5-13.1 10753/9008=4...(7) HA ALA 21 - HE2 LYS 26 far 8 81 10 - 6.8-17.6 HA ARG 23 - HE2 LYS 36 far 8 77 10 - 5.7-25.3 HA THR 18 - HE3 LYS 31 far 8 76 10 - 5.3-25.8 HA THR 18 - HE2 LYS 31 far 7 75 10 - 5.9-25.3 HA THR 25 - HE3 LYS 36 far 7 74 10 - 5.5-23.8 HA GLN 27 - HE3 LYS 31 far 7 71 10 - 5.0-12.1 HA LYS 19 - HE3 LYS 31 far 5 100 5 - 6.8-26.4 HA ALA 109 - HE3 LYS 26 far 5 99 5 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 5 99 5 - 4.9-30.3 HA ALA 109 - HE2 LYS 26 far 5 99 5 - 5.8-33.8 HA ALA 108 - HE2 LYS 26 far 5 99 5 - 6.6-31.8 HA ALA 108 - HE3 LYS 31 far 5 99 5 - 6.8-33.7 HA ALA 16 - HE2 LYS 31 far 5 98 5 - 6.3-27.2 HA LYS 31 - HE3 LYS 19 far 5 98 5 - 5.6-27.5 HA ALA 109 - HE3 LYS 19 far 5 98 5 - 6.5-51.9 HA GLN 61 - HE2 LYS 26 far 5 96 5 - 2.5-26.5 HA ALA 16 - HE3 LYS 24 far 5 96 5 - 5.5-21.7 HA ALA 16 - HE3 LYS 36 far 5 96 5 - 6.3-32.1 HA GLN 61 - HE3 LYS 26 far 5 96 5 - 3.6-26.6 HA GLN 61 - HE3 LYS 31 far 5 96 5 - 6.4-25.1 HA GLN 61 - HE2 LYS 31 far 5 95 5 - 6.6-24.3 HA ALA 110 - HE3 LYS 26 far 5 92 5 - 5.9-33.9 HA GLN 61 - HE3 LYS 24 far 5 92 5 - 6.3-26.7 HA LYS 31 - HE2 LYS 19 far 5 91 5 - 5.1-27.7 HA ALA 15 - HE3 LYS 31 far 5 90 5 - 5.9-26.5 HA ALA 15 - HE2 LYS 31 far 4 89 5 - 5.4-27.5 HA ALA 15 - HE3 LYS 24 far 4 86 5 - 2.7-24.2 HA LYS 36 - HE2 LYS 24 far 4 85 5 - 6.4-29.6 HA ALA 16 - HE2 LYS 24 far 4 84 5 - 5.1-21.6 HA LYS 31 - HE2 LYS 24 far 4 83 5 - 6.0-19.7 HA GLN 61 - HE2 LYS 24 far 4 79 5 - 5.8-25.5 HA ALA 21 - HE3 LYS 36 far 4 76 5 - 6.5-28.1 HA ALA 15 - HE2 LYS 24 far 4 73 5 - 3.2-24.3 HA THR 18 - HE3 LYS 36 far 4 72 5 - 5.0-33.6 HA GLN 27 - HE2 LYS 31 far 3 70 5 - 6.7-11.5 HA THR 25 - HE2 LYS 36 far 3 66 5 - 4.9-23.1 HA GLN 27 - HE3 LYS 24 far 3 67 5 - 6.5-14.9 HA THR 18 - HE2 LYS 36 far 3 64 5 - 6.5-32.9 HA ALA 21 - HE3 LYS 24 lone 1 76 40 3 2.0-13.7 HA ALA 15 - HE2 LYS 19 lone 1 81 35 2 2.2-14.3 HA ALA 12 - HE2 LYS 19 lone 0 81 25 2 3.7-20.1 HA ALA 15 - HE3 LYS 19 lone 0 89 25 2 2.0-14.9 HA ARG 84 - HE3 LYS 86 far 0 73 0 - 7.1-8.5 HA ALA 108 - HE3 LYS 19 far 0 98 0 - 7.1-50.0 HA ARG 23 - HE3 LYS 31 far 0 89 0 - 7.1-18.5 HA LYS 36 - HE3 LYS 31 far 0 99 0 - 7.1-15.1 HA ALA 21 - HE2 LYS 36 far 0 69 0 - 7.2-27.3 HA GLN 27 - HE2 LYS 24 far 0 55 0 - 7.2-14.8 HA ALA 21 - HE3 LYS 31 far 0 81 0 - 7.2-21.7 HA LYS 31 - HE3 LYS 24 far 0 96 0 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 0 99 0 - 7.3-13.7 HA LYS 36 - HE3 LYS 24 far 0 97 0 - 7.3-29.3 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.4-25.6 HA THR 25 - HE2 LYS 19 far 0 69 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 92 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 80 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 91 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 77 0 - 7.5-20.7 HA ALA 108 - HE2 LYS 31 far 0 98 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 89 0 - 7.5-31.5 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 81 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 91 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 95 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 80 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 86 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 79 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 91 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 84 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 98 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 88 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 73 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 92 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 94 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 100 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 77 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 71 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 86 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 94 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 71 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 83 0 - 8.9-40.0 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 89 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 92 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 100 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 82 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 96 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 99 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 92 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 87 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 66 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 76 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 90 0 - 9.6-27.2 HA LYS 19 - HE2 LYS 36 far 0 92 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 83 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 76 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 78 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 96 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 75 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 98 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 78 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 672 from cnoeabs.peaks (1.75, 2.97, 41.80 ppm; 4.55 A): 12 out of 61 assignments used, quality = 1.00: * HB2 LYS 26 + HE2 LYS 26 OK 99 100 100 99 2.0-5.2 4.8=85, 6250/7.1=27...(57) HB2 LYS 26 + HE3 LYS 26 OK 99 100 100 99 2.6-5.5 4.8=85, 6250/7.1=27...(57) HB2 LYS 19 + HE3 LYS 19 OK 98 100 100 98 2.8-5.0 5.1=72, 6149/7.3=24...(64) HB2 LYS 31 + HE3 LYS 31 OK 97 99 100 98 1.8-4.7 4.8=83, 6331/7.1=24...(56) HB2 LYS 31 + HE2 LYS 31 OK 97 98 100 98 2.0-4.9 4.8=83, 6331/7.1=24...(56) HB2 LYS 24 + HE3 LYS 24 OK 97 98 100 99 3.1-5.1 5.1=72, 491/6.4=35...(31) HB2 LYS 19 + HE2 LYS 19 OK 92 94 100 98 3.2-5.1 5.1=72, 6149/7.3=24...(64) HB2 LYS 24 + HE2 LYS 24 OK 85 86 100 99 2.0-4.5 5.1=72, 491/6.4=35...(31) HB ILE 80 + HE3 LYS 86 OK 79 87 90 100 2.3-7.3 ~11243=54, 9729/2704=45...(24) HB2 LYS 31 + HE2 LYS 26 OK 31 99 35 89 3.2-17.5 639/3.6=7, 628/3.6=6...(108) HB2 LYS 31 + HE3 LYS 26 OK 26 99 30 88 3.4-17.3 639/3.6=7, 628/3.6=6...(105) HG3 ARG 90 + HE3 LYS 86 OK 22 79 35 80 4.2-9.7 11303/9660=39...(9) HB2 LYS 26 - HE2 LYS 31 poor 20 100 20 - 4.4-12.8 HB2 LYS 26 - HE3 LYS 36 poor 20 98 20 - 4.9-22.7 HB2 ARG 23 - HE2 LYS 26 poor 20 100 40 49 3.9-14.3 430/11618=7, ~11618=4...(10) HB2 ARG 23 - HE3 LYS 26 poor 19 100 40 48 3.3-14.8 ~11618=6, 430/11618=5...(10) HB2 LYS 24 - HE2 LYS 19 poor 19 94 20 - 3.8-18.2 HB2 LYS 19 - HE2 LYS 24 poor 17 87 20 - 4.1-17.5 HB2 LYS 26 - HE3 LYS 31 far 15 100 15 - 4.2-12.2 HB2 LYS 24 - HE2 LYS 26 far 15 100 15 - 5.6-12.3 HB2 LYS 31 - HE3 LYS 36 far 14 96 15 - 4.9-12.6 HB2 LYS 24 - HE3 LYS 19 poor 10 100 25 41 4.9-17.5 305/2.9=1, 2.9/1025=1...(6) HB2 LYS 24 - HE3 LYS 26 far 10 100 10 - 5.3-12.3 HB2 LYS 19 - HE3 LYS 24 far 10 98 10 - 5.3-18.0 HB2 ARG 23 - HE3 LYS 36 far 10 97 10 - 4.0-24.1 HB2 LYS 26 - HE2 LYS 36 far 9 92 10 - 3.3-22.3 HB2 ARG 23 - HE2 LYS 36 far 9 91 10 - 3.8-23.4 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.9-25.9 HB2 LYS 19 - HE2 LYS 31 far 5 100 5 - 5.2-25.0 HB2 ARG 23 - HE3 LYS 31 far 5 100 5 - 5.7-20.0 HB2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.4-13.6 HB2 LYS 24 - HE3 LYS 36 far 5 98 5 - 3.6-27.4 HB2 ARG 23 - HE3 LYS 24 far 5 97 5 - 5.8-11.2 HB2 LYS 31 - HE3 LYS 24 far 5 96 5 - 5.8-20.7 HB2 LYS 24 - HE2 LYS 36 far 5 91 5 - 1.9-26.5 HB2 LYS 31 - HE2 LYS 36 far 4 89 5 - 3.5-12.9 HB2 LYS 26 - HE2 LYS 24 far 4 87 5 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 4 84 5 - 4.9-20.2 HB2 ARG 23 - HE2 LYS 24 far 0 86 0 - 6.2-11.2 HB2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.7-18.7 HB2 LEU 43 - HE3 LYS 36 far 0 72 0 - 6.8-18.1 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.8-24.3 HB2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.9-18.8 HB2 ARG 23 - HE2 LYS 31 far 0 99 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 0 92 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 99 0 - 7.5-16.1 HB2 LEU 43 - HE2 LYS 31 far 0 75 0 - 7.6-24.1 HB2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.2-24.9 HB2 LEU 43 - HE2 LYS 36 far 0 64 0 - 8.5-17.0 HB2 LYS 19 - HE3 LYS 36 far 0 98 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 93 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 93 0 - 8.9-16.3 HB2 LEU 43 - HE3 LYS 31 far 0 76 0 - 9.3-24.7 HG13 ILE 129 - HE3 LYS 86 far 0 94 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 86 0 - 9.7-15.5 HB2 LEU 43 - HE3 LYS 24 far 0 72 0 - 9.7-31.8 HG LEU 100 - HE3 LYS 31 far 0 65 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 93 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 673 from cnoeabs.peaks (1.82, 2.97, 41.80 ppm; 5.18 A): 27 out of 73 assignments used, quality = 1.00: HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 * HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.0-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-4.8 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-4.5 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.8-5.3 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 3.3-4.7 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.1-4.9 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.0-5.1 5.1=100 HB ILE 32 + HE3 LYS 36 OK 73 98 75 99 2.0-7.9 2.1/10721=28...(56) HB ILE 32 + HE2 LYS 36 OK 73 92 80 99 3.4-7.6 10833/3.0=25...(57) HB2 LYS 86 + HE3 LYS 86 OK 66 66 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE3 LYS 26 OK 55 100 60 91 4.6-19.4 2.1/10840=15, ~10840=12...(58) HB ILE 32 + HE2 LYS 26 OK 51 100 55 92 4.8-19.8 2.1/10840=15, ~10721=12...(60) HB ILE 32 + HE2 LYS 31 OK 49 100 55 90 4.3-9.5 3.2/10804=12, 10825=11...(58) HB3 LYS 31 + HE2 LYS 26 OK 47 99 50 94 2.2-19.2 629/3.6=8, 640/3.6=6...(131) HB3 LYS 31 + HE3 LYS 26 OK 42 99 45 94 3.3-19.0 629/3.6=8, 640/3.6=6...(117) HB ILE 32 + HE3 LYS 31 OK 41 100 45 91 4.6-10.3 10825/1.8=10...(60) HB3 LYS 19 + HE3 LYS 24 OK 38 96 45 87 3.9-16.9 3.0/11770=4, 2634=4...(113) HB2 LYS 36 + HE3 LYS 26 OK 33 100 45 74 2.6-28.9 1.8/1004=11, ~1004=8...(27) HB3 ARG 23 + HE2 LYS 26 OK 29 100 50 58 3.0-13.9 3.0/11618=9, ~11618=5...(35) HB3 ARG 23 + HE3 LYS 26 OK 29 100 50 57 2.6-15.2 ~11618=8, 3.0/11618=6...(36) HB2 LYS 36 + HE2 LYS 26 OK 28 100 35 79 2.4-29.4 1.8/1004=10, ~1004=9...(35) HB3 LYS 19 + HE2 LYS 24 OK 26 84 35 88 2.6-16.3 3.0/11770=4, 2634=4...(112) HB3 LYS 26 + HE3 LYS 31 OK 25 100 30 85 4.4-13.0 989/3.7=6, 835/3.7=5...(86) HB3 LYS 26 + HE2 LYS 31 OK 25 100 30 85 3.9-12.8 989/3.7=6, 835/3.7=5...(88) HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 LYS 24 - HE2 LYS 26 poor 20 100 20 - 5.5-13.1 HB3 LYS 24 - HE2 LYS 19 poor 19 93 20 - 3.5-17.2 HB2 LYS 36 - HE3 LYS 31 far 15 100 15 - 5.6-14.2 HB2 LYS 36 - HE2 LYS 31 far 15 100 15 - 6.2-12.8 HB3 LYS 24 - HE3 LYS 19 poor 15 99 25 59 4.6-17.1 2.9/1025=2, 815/3.8=1...(24) HB3 LYS 26 - HE2 LYS 36 far 14 92 15 - 4.2-22.7 HB3 LYS 31 - HE2 LYS 36 far 13 89 15 - 5.3-14.3 HB3 ARG 23 - HE3 LYS 31 far 10 100 10 - 5.4-20.0 HB3 ARG 23 - HE3 LYS 36 far 10 98 10 - 4.4-24.0 HB3 LYS 31 - HE3 LYS 36 far 10 96 10 - 4.9-14.1 HB3 ARG 23 - HE2 LYS 36 far 9 91 10 - 3.5-23.5 HB3 ARG 23 - HE2 LYS 31 far 5 99 5 - 6.3-18.9 HB3 LYS 19 - HE2 LYS 26 far 5 99 5 - 6.1-23.7 HB3 LYS 31 - HE3 LYS 19 far 5 98 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 31 far 5 98 5 - 6.5-26.1 HB3 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.6 HB3 LYS 24 - HE3 LYS 36 far 5 97 5 - 5.2-26.7 HB3 LYS 31 - HE2 LYS 19 far 5 92 5 - 5.8-26.9 HB3 LYS 24 - HE2 LYS 36 far 5 91 5 - 3.5-25.9 HB3 LYS 26 - HE2 LYS 24 far 4 87 5 - 5.2-13.2 HB2 LYS 36 - HE2 LYS 24 far 4 87 5 - 6.1-29.9 HB3 LYS 31 - HE2 LYS 24 far 4 84 5 - 6.0-19.3 HB3 LYS 26 - HE3 LYS 36 lone 4 98 25 17 5.3-23.0 10720/10721=3, 10751/10813=2 HB2 CYS 79 - HE3 LYS 86 far 4 75 5 - 6.5-10.0 HB3 LYS 31 - HE3 LYS 24 far 0 96 0 - 6.7-20.0 HB3 ARG 23 - HE3 LYS 24 far 0 98 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 86 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 87 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 99 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 98 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 99 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 91 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 92 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 68 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 67 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 96 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 96 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 68 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 674 from cnoeabs.peaks (1.43, 2.97, 41.80 ppm; 3.96 A): 15 out of 68 assignments used, quality = 1.00: * HG2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.0 3.6=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.1-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.3-4.1 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-3.8 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 90 91 100 99 2.2-4.2 4.0=98, 484/6.4=22...(17) HG2 LYS 86 + HE3 LYS 86 OK 89 89 100 100 2.0-2.9 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.3-4.0 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 77 78 100 99 2.0-3.9 4.0=98, 484/6.4=22...(17) HG13 ILE 32 + HE3 LYS 26 OK 36 99 50 73 2.0-17.3 3.2/10721=9, 2.1/10804=8...(25) HG13 ILE 32 + HE3 LYS 36 OK 35 97 40 91 3.2-9.5 3.2/10757=17...(61) HG13 ILE 32 + HE2 LYS 31 OK 34 99 50 70 2.3-9.1 2.1/10804=10...(24) HG13 ILE 32 + HE2 LYS 36 OK 33 90 40 91 2.8-9.0 2.1/10804=14...(60) HG13 ILE 32 + HE3 LYS 31 OK 28 99 40 71 2.0-9.6 10757/6.5=9, 2.1/10804=8...(24) HG13 ILE 32 + HE2 LYS 26 OK 25 99 35 73 2.1-17.7 3.2/10721=9, 2.1/9008=9...(25) HG3 LYS 19 - HE2 LYS 24 poor 16 80 20 - 3.4-18.5 HG3 LYS 19 - HE3 LYS 24 far 14 93 15 - 4.8-19.1 HG2 LYS 26 - HE2 LYS 36 far 14 92 15 - 4.1-24.5 HG3 LYS 24 - HE2 LYS 19 far 13 85 15 - 3.7-17.8 HG3 LYS 24 - HE3 LYS 19 poor 10 94 25 43 4.5-18.1 525/5.1=2, 284/5.1=2...(4) HG2 LYS 31 - HE2 LYS 26 far 10 98 10 - 3.8-19.7 HG2 LYS 26 - HE3 LYS 36 far 10 98 10 - 3.8-24.9 HG2 LYS 31 - HE3 LYS 26 far 10 98 10 - 5.3-19.4 QB ALA 34 - HE2 LYS 36 far 8 82 10 - 5.1-8.4 QB ALA 16 - HE3 LYS 19 far 6 62 10 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 5 54 10 - 4.4-10.6 HG2 LYS 26 - HE2 LYS 31 far 5 100 5 - 5.4-15.0 HG2 LYS 31 - HE3 LYS 24 far 5 95 5 - 4.0-19.0 HG2 LYS 31 - HE3 LYS 36 far 5 95 5 - 5.4-14.2 HG3 LYS 24 - HE3 LYS 36 far 5 91 5 - 4.8-25.5 QB ALA 34 - HE3 LYS 36 far 4 89 5 - 5.3-9.2 HG2 LYS 31 - HE2 LYS 36 far 4 88 5 - 4.9-14.4 HG3 LYS 24 - HE2 LYS 36 far 4 83 5 - 3.2-24.6 HG2 LYS 31 - HE2 LYS 24 far 4 83 5 - 3.3-18.4 QB ALA 16 - HE3 LYS 31 far 3 63 5 - 5.0-24.1 QB ALA 16 - HE3 LYS 24 far 3 59 5 - 4.4-18.8 QB ALA 16 - HE2 LYS 24 far 2 48 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 36 far 0 59 0 - 5.5-25.6 QB ALA 34 - HE2 LYS 26 far 0 93 0 - 5.7-20.7 QB ALA 16 - HE2 LYS 31 far 0 62 0 - 5.8-23.5 HG2 LYS 26 - HE2 LYS 24 far 0 87 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 98 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.0-14.4 QB ALA 34 - HE3 LYS 24 far 0 89 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 93 0 - 6.1-21.1 HG3 LYS 24 - HE3 LYS 26 far 0 95 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 76 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 95 0 - 6.7-12.9 QB ALA 16 - HE2 LYS 36 far 0 52 0 - 6.8-25.2 QB ALA 34 - HE2 LYS 31 far 0 92 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 93 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 85 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 90 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 95 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 99 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 92 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 95 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 97 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 93 0 - 9.6-33.4 QB ALA 16 - HE3 LYS 26 far 0 63 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 63 0 - 9.9-22.6 QB ALA 92 - HE3 LYS 24 far 0 98 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 675 from cnoeabs.peaks (1.38, 2.97, 41.80 ppm; 3.99 A): 10 out of 125 assignments used, quality = 1.00: * HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-4.2 4.0=99, 3.0/1064=22...(23) HG3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.4-4.2 3.7=100 HG2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.6-4.2 4.0=99, 3.0/1064=22...(23) HG2 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.0-2.8 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.0-3.9 4.0=100 HG2 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.3-3.2 3.8=100 QB ALA 28 - HE3 LYS 31 poor 20 100 20 - 4.1-9.8 QB ALA 12 - HE2 LYS 19 poor 17 69 25 - 4.2-15.0 HG2 LYS 19 - HE3 LYS 24 poor 17 84 20 - 3.9-19.3 QB ALA 12 - HE3 LYS 19 poor 15 77 20 - 4.2-15.1 QB ALA 29 - HE3 LYS 26 far 15 100 15 - 4.0-12.1 QB ALA 29 - HE2 LYS 26 far 15 100 15 - 4.1-12.1 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 2.1-13.2 QB ALA 29 - HE2 LYS 31 far 15 100 15 - 4.3-10.0 HG3 LYS 31 - HE3 LYS 26 far 15 98 15 - 4.8-18.3 HG2 LYS 19 - HE2 LYS 24 poor 14 71 20 - 2.9-18.6 HG3 LYS 31 - HE3 LYS 36 far 14 95 15 - 4.5-14.3 QB ALA 15 - HE2 LYS 19 far 14 94 15 - 2.0-11.7 QB ALA 29 - HE2 LYS 36 far 14 92 15 - 5.2-11.0 HG3 LYS 31 - HE2 LYS 36 far 13 88 15 - 4.3-14.3 QB ALA 29 - HE3 LYS 31 far 10 100 10 - 4.8-10.3 HG2 LYS 36 - HE2 LYS 26 far 10 100 10 - 5.0-27.0 HG2 LYS 36 - HE3 LYS 26 far 10 100 10 - 5.1-26.6 QB ALA 15 - HE2 LYS 31 far 10 100 10 - 3.9-23.1 HG2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.6-18.0 HG3 LYS 26 - HE2 LYS 31 far 10 100 10 - 5.0-15.0 HG3 LYS 31 - HE2 LYS 26 far 10 98 10 - 4.3-18.5 QB ALA 28 - HE3 LYS 24 far 10 98 10 - 5.3-13.7 HG2 LYS 24 - HE2 LYS 19 far 9 94 10 - 4.3-16.8 QB ALA 28 - HE2 LYS 24 far 9 87 10 - 4.5-13.8 QB ALA 16 - HE3 LYS 19 far 7 75 10 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 7 66 10 - 4.4-10.6 QB ALA 110 - HE3 LYS 26 far 5 100 5 - 4.0-28.9 QB ALA 15 - HE3 LYS 31 far 5 100 5 - 4.6-22.3 QB ALA 110 - HE2 LYS 26 far 5 100 5 - 4.9-30.1 HG2 LYS 36 - HE3 LYS 31 far 5 100 5 - 5.1-14.9 QB ALA 28 - HE3 LYS 26 far 5 100 5 - 5.4-9.7 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 5.4-12.1 HG2 LYS 36 - HE2 LYS 31 far 5 100 5 - 5.3-13.7 QB ALA 109 - HE3 LYS 26 far 5 99 5 - 5.3-26.1 QB ALA 15 - HE3 LYS 24 far 5 98 5 - 2.0-19.1 QB ALA 109 - HE3 LYS 19 far 5 98 5 - 4.7-41.8 HG3 LYS 26 - HE3 LYS 36 far 5 98 5 - 4.4-24.9 HG3 LYS 26 - HE3 LYS 24 far 5 98 5 - 5.5-12.7 QB ALA 29 - HE3 LYS 36 far 5 98 5 - 5.3-11.4 HB2 LEU 42 - HE3 LYS 36 far 5 98 5 - 5.0-13.1 HG3 LYS 95 - HE3 LYS 24 far 5 98 5 - 4.2-36.6 HG2 LYS 95 - HE3 LYS 24 far 5 97 5 - 4.3-36.3 HG3 LYS 31 - HE3 LYS 24 far 5 95 5 - 5.2-18.7 HG3 LYS 26 - HE2 LYS 36 far 5 92 5 - 4.6-24.5 HG2 LYS 24 - HE2 LYS 36 far 5 92 5 - 4.2-26.3 QB ALA 28 - HE2 LYS 31 lone 5 100 25 18 4.7-10.1 ~10771=12, 6334/7.1=3 QB ALA 109 - HE2 LYS 19 far 5 92 5 - 5.1-43.2 QB ALA 15 - HE2 LYS 24 far 4 87 5 - 2.0-19.1 HG3 LYS 26 - HE2 LYS 24 far 4 87 5 - 5.0-12.3 HG3 LYS 95 - HE2 LYS 24 far 4 86 5 - 5.2-35.1 HG3 LYS 31 - HE2 LYS 24 far 4 83 5 - 4.1-18.0 QB ALA 16 - HE3 LYS 31 far 4 76 5 - 5.0-24.1 QB ALA 12 - HE3 LYS 24 far 4 74 5 - 5.0-19.7 QB ALA 16 - HE3 LYS 24 far 4 72 5 - 4.4-18.8 QB ALA 16 - HE2 LYS 24 far 3 59 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 36 far 0 72 0 - 5.5-25.6 QB ALA 29 - HE2 LYS 24 far 0 87 0 - 5.6-13.5 HG2 LYS 24 - HE3 LYS 36 far 0 98 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 85 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 100 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 75 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 100 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 86 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 77 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 91 0 - 6.0-12.2 QB ALA 12 - HE2 LYS 24 far 0 62 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 98 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 98 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 87 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 100 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 89 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 92 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 99 0 - 6.6-27.0 HG3 LYS 31 - HE2 LYS 19 far 0 90 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 64 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 94 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 100 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 98 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 100 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 78 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 94 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 88 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 100 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 98 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 84 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 92 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 98 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 100 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 84 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 89 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 100 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 96 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 94 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 99 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 94 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 100 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 100 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 94 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 98 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 100 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 74 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 66 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 76 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 76 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 87 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 676 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 3.47 A): 22 out of 119 assignments used, quality = 1.00: HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.6-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 19 97 20 - 2.5-24.7 HD3 LYS 19 - HE2 LYS 24 poor 16 80 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 98 15 - 3.3-25.8 HD3 LYS 19 - HE3 LYS 24 far 14 93 15 - 2.2-19.0 HD3 LYS 26 - HE2 LYS 36 far 14 92 15 - 2.9-24.6 HD2 LYS 19 - HE2 LYS 24 far 12 80 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD2 LYS 36 - HE2 LYS 26 far 10 97 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 10 97 10 - 3.6-25.8 HD2 LYS 36 - HE2 LYS 31 far 10 97 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 97 10 - 4.3-13.8 HD3 LYS 24 - HE2 LYS 19 far 9 94 10 - 4.2-18.5 HD2 LYS 19 - HE3 LYS 24 far 9 93 10 - 2.9-18.4 HD2 LYS 26 - HE2 LYS 36 far 9 92 10 - 1.9-25.5 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD3 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.6-14.9 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD2 LYS 36 - HE3 LYS 31 far 5 97 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 97 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 4 87 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 94 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 98 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 88 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 82 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 97 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 87 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 83 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 96 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 82 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 68 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 94 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 85 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 77 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 83 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 98 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 94 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 99 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 86 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 97 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 95 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 86 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 88 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 70 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 75 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 99 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 89 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 677 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 3.47 A): 22 out of 119 assignments used, quality = 1.00: HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.6-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 19 96 20 - 2.5-24.7 HD3 LYS 19 - HE2 LYS 24 poor 17 83 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 98 15 - 3.3-25.8 HD3 LYS 19 - HE3 LYS 24 far 14 95 15 - 2.2-19.0 HD3 LYS 26 - HE2 LYS 36 far 14 92 15 - 2.9-24.6 HD2 LYS 19 - HE2 LYS 24 far 12 83 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD2 LYS 36 - HE2 LYS 26 far 10 96 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 10 96 10 - 3.6-25.8 HD2 LYS 19 - HE3 LYS 24 far 9 95 10 - 2.9-18.4 HD2 LYS 36 - HE2 LYS 31 far 9 95 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 9 95 10 - 4.3-13.8 HD3 LYS 24 - HE2 LYS 19 far 9 94 10 - 4.2-18.5 HD2 LYS 26 - HE2 LYS 36 far 9 92 10 - 1.9-25.5 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.6-14.9 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD2 LYS 36 - HE3 LYS 31 far 5 96 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 96 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 96 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 91 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 4 87 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 91 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 94 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 98 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 86 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 86 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 79 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 93 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 98 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 87 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 85 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 97 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 88 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 79 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 95 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 92 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 86 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 80 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 78 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 97 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 92 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 78 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 99 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 88 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 96 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 97 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 88 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 91 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 97 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 66 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 71 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 99 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 92 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 678 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE3 LYS 86 + HE3 LYS 86 OK 93 93 - 100 HE2 LYS 19 + HE2 LYS 19 OK 90 90 - 100 HE2 LYS 36 + HE2 LYS 36 OK 87 87 - 100 HE2 LYS 24 + HE2 LYS 24 OK 79 79 - 100 Peak 679 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE3 LYS 86 + HE3 LYS 86 OK 93 93 - 100 HE2 LYS 19 + HE2 LYS 19 OK 90 90 - 100 HE2 LYS 36 + HE2 LYS 36 OK 87 87 - 100 HE2 LYS 24 + HE2 LYS 24 OK 79 79 - 100 Reference assignment not found: HE3 LYS 26 - HE2 LYS 26 Peak 682 from cnoeabs.peaks (4.27, 2.97, 41.80 ppm; 5.55 A): 24 out of 155 assignments used, quality = 1.00: HA LYS 19 + HE3 LYS 19 OK 98 100 100 99 2.0-5.4 6.4=66, 627/3.8=29...(34) HA LYS 26 + HE2 LYS 26 OK 97 100 100 97 2.7-6.4 6.6=60, 627/3.6=31...(23) * HA LYS 26 + HE3 LYS 26 OK 97 100 100 97 3.4-6.0 6.6=60, 627/3.6=31...(23) HA LYS 31 + HE3 LYS 31 OK 96 99 100 98 2.5-5.6 6.5=63, 822/3.7=29...(29) HA LYS 36 + HE3 LYS 36 OK 96 97 100 100 2.9-6.5 6.0=81, 3.0/1064=37...(24) HA LYS 31 + HE2 LYS 31 OK 96 98 100 98 1.9-5.7 6.5=63, 822/3.7=29...(29) HA LYS 19 + HE2 LYS 19 OK 92 94 100 99 3.2-5.7 6.4=66, 627/3.8=29...(34) HA LYS 36 + HE2 LYS 36 OK 90 90 100 100 3.9-6.2 6.0=81, 3.0/1064=37...(25) HA PHE 87 + HE3 LYS 86 OK 83 95 90 97 3.9-7.4 4.9/2704=69...(13) HA THR 18 + HE3 LYS 19 OK 45 75 80 76 4.3-9.2 10686/3.8=39, 226/7.3=28...(8) HA LYS 19 + HE3 LYS 24 OK 44 98 50 91 2.9-16.7 822/4.0=6, 241/4.0=5...(125) HA THR 25 + HE2 LYS 26 OK 41 78 60 87 2.9-9.2 582/7.1=32, 11150/3.6=22...(13) HA THR 25 + HE2 LYS 24 OK 39 62 70 91 2.0-8.6 11128/5.1=25, 9587=20...(16) HA THR 25 + HE3 LYS 26 OK 34 78 50 87 2.2-9.3 582/7.1=32, 11150/3.6=22...(13) HA LYS 31 + HE3 LYS 26 OK 34 99 35 97 5.3-18.9 3.0/6338=7, ~6338=6...(173) HA THR 25 + HE3 LYS 24 OK 33 74 50 90 2.3-9.0 11128/5.1=25...(15) HA LYS 19 + HE2 LYS 24 OK 32 87 40 93 1.9-16.1 822/4.0=6, 241/4.0=5...(160) HA LYS 26 + HE3 LYS 31 OK 32 100 35 92 4.4-13.1 790/4.8=7, 822/3.7=7...(131) HA LYS 26 + HE2 LYS 31 OK 32 100 35 91 5.0-12.6 790/4.8=7, 822/3.7=7...(129) HA ARG 23 + HE2 LYS 26 OK 31 89 55 63 2.7-12.5 3.8/11618=9, 627/3.6=3...(32) HA THR 18 + HE2 LYS 19 OK 30 66 60 76 2.7-8.8 10686/3.8=39, 226/7.3=28...(8) HA LYS 31 + HE2 LYS 26 OK 29 99 30 97 5.0-18.9 3.0/6338=7, ~6338=6...(173) HA ARG 23 + HE3 LYS 26 OK 28 89 50 64 2.0-13.5 3.8/11618=6, 627/3.6=3...(36) HA LYS 36 + HE3 LYS 26 OK 26 99 35 75 3.5-29.4 3.0/1003=11, ~1004=8...(36) HA ALA 21 - HE2 LYS 24 poor 19 64 30 - 2.6-12.5 HA LYS 36 - HE2 LYS 26 poor 19 99 25 77 3.2-29.7 3.0/1004=10, ~1004=8...(41) HA ALA 12 - HE3 LYS 19 poor 18 89 20 - 4.5-19.2 HA GLN 27 - HE2 LYS 26 poor 18 71 40 63 3.2-8.6 ~6267=22, ~6266=22...(12) HA ARG 23 - HE2 LYS 24 poor 17 71 40 61 6.3-9.4 424/7.4=32, 833/4.0=8...(15) HA ARG 23 - HE3 LYS 24 poor 17 84 35 58 5.5-9.3 424/7.4=32, 833/4.0=8...(13) HA GLN 27 - HE3 LYS 26 poor 16 71 35 63 3.7-8.8 ~6267=22, ~6266=22...(12) HA THR 25 - HE2 LYS 31 poor 15 77 20 - 3.1-14.8 HA LEU 22 - HE2 LYS 26 far 15 100 15 - 4.0-14.7 HA ALA 16 - HE3 LYS 19 far 15 98 15 - 4.9-11.6 HA LYS 26 - HE3 LYS 36 far 15 98 15 - 6.7-22.7 HA THR 18 - HE3 LYS 24 poor 14 72 20 - 4.1-17.6 HA ALA 16 - HE2 LYS 19 far 14 92 15 - 5.1-12.4 HA LYS 31 - HE3 LYS 36 poor 13 96 45 31 4.8-12.9 10753/10804=4...(5) HA GLN 27 - HE3 LYS 36 poor 13 67 20 - 3.3-19.2 HA ARG 23 - HE3 LYS 36 far 13 84 15 - 6.1-25.9 HA LEU 22 - HE3 LYS 24 poor 12 98 40 31 1.9-11.8 11967/4.0=13, 6212/7.4=7...(8) HA GLN 27 - HE2 LYS 36 poor 12 60 20 - 4.2-18.7 HA THR 18 - HE2 LYS 24 poor 12 59 20 - 4.8-17.4 HA THR 25 - HE3 LYS 31 far 12 78 15 - 2.8-14.8 HA LEU 22 - HE2 LYS 24 poor 10 87 40 30 3.0-11.0 11967/4.0=13, 6212/7.4=7...(7) HA LEU 22 - HE3 LYS 26 far 10 100 10 - 5.2-15.2 HA ALA 16 - HE3 LYS 31 far 10 99 10 - 5.0-28.0 HA LYS 26 - HE3 LYS 24 far 10 98 10 - 6.6-11.5 HA LYS 26 - HE2 LYS 36 far 9 92 10 - 5.2-22.3 HA ARG 23 - HE2 LYS 31 far 9 88 10 - 6.0-17.4 HA LYS 26 - HE2 LYS 24 far 9 87 10 - 5.6-11.4 HA LYS 31 - HE2 LYS 36 poor 8 89 25 36 5.5-13.1 10753/9008=4...(7) HA ALA 21 - HE2 LYS 26 far 8 81 10 - 6.8-17.6 HA ARG 23 - HE2 LYS 36 far 8 77 10 - 5.7-25.3 HA THR 18 - HE3 LYS 31 far 8 76 10 - 5.3-25.8 HA THR 18 - HE2 LYS 31 far 7 75 10 - 5.9-25.3 HA THR 25 - HE3 LYS 36 far 7 74 10 - 5.5-23.8 HA GLN 27 - HE3 LYS 31 far 7 71 10 - 5.0-12.1 HA LYS 19 - HE3 LYS 31 far 5 100 5 - 6.8-26.4 HA ALA 109 - HE3 LYS 26 far 5 99 5 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 5 99 5 - 4.9-30.3 HA ALA 109 - HE2 LYS 26 far 5 99 5 - 5.8-33.8 HA ALA 108 - HE2 LYS 26 far 5 99 5 - 6.6-31.8 HA ALA 108 - HE3 LYS 31 far 5 99 5 - 6.8-33.7 HA ALA 16 - HE2 LYS 31 far 5 98 5 - 6.3-27.2 HA LYS 31 - HE3 LYS 19 far 5 98 5 - 5.6-27.5 HA ALA 109 - HE3 LYS 19 far 5 98 5 - 6.5-51.9 HA GLN 61 - HE2 LYS 26 far 5 96 5 - 2.5-26.5 HA ALA 16 - HE3 LYS 24 far 5 96 5 - 5.5-21.7 HA ALA 16 - HE3 LYS 36 far 5 96 5 - 6.3-32.1 HA GLN 61 - HE3 LYS 26 far 5 96 5 - 3.6-26.6 HA GLN 61 - HE3 LYS 31 far 5 96 5 - 6.4-25.1 HA GLN 61 - HE2 LYS 31 far 5 95 5 - 6.6-24.3 HA ALA 110 - HE3 LYS 26 far 5 92 5 - 5.9-33.9 HA GLN 61 - HE3 LYS 24 far 5 92 5 - 6.3-26.7 HA LYS 31 - HE2 LYS 19 far 5 91 5 - 5.1-27.7 HA ALA 15 - HE3 LYS 31 far 5 90 5 - 5.9-26.5 HA ALA 15 - HE2 LYS 31 far 4 89 5 - 5.4-27.5 HA ALA 15 - HE3 LYS 24 far 4 86 5 - 2.7-24.2 HA LYS 36 - HE2 LYS 24 far 4 85 5 - 6.4-29.6 HA ALA 16 - HE2 LYS 24 far 4 84 5 - 5.1-21.6 HA LYS 31 - HE2 LYS 24 far 4 83 5 - 6.0-19.7 HA GLN 61 - HE2 LYS 24 far 4 79 5 - 5.8-25.5 HA ALA 21 - HE3 LYS 36 far 4 76 5 - 6.5-28.1 HA ALA 15 - HE2 LYS 24 far 4 73 5 - 3.2-24.3 HA THR 18 - HE3 LYS 36 far 4 72 5 - 5.0-33.6 HA GLN 27 - HE2 LYS 31 far 3 70 5 - 6.7-11.5 HA THR 25 - HE2 LYS 36 far 3 66 5 - 4.9-23.1 HA GLN 27 - HE3 LYS 24 far 3 67 5 - 6.5-14.9 HA THR 18 - HE2 LYS 36 far 3 64 5 - 6.5-32.9 HA ALA 21 - HE3 LYS 24 lone 1 76 40 3 2.0-13.7 HA ALA 15 - HE2 LYS 19 lone 1 81 35 2 2.2-14.3 HA ALA 12 - HE2 LYS 19 lone 0 81 25 2 3.7-20.1 HA ALA 15 - HE3 LYS 19 lone 0 89 25 2 2.0-14.9 HA ARG 84 - HE3 LYS 86 far 0 73 0 - 7.1-8.5 HA ALA 108 - HE3 LYS 19 far 0 98 0 - 7.1-50.0 HA ARG 23 - HE3 LYS 31 far 0 89 0 - 7.1-18.5 HA LYS 36 - HE3 LYS 31 far 0 99 0 - 7.1-15.1 HA ALA 21 - HE2 LYS 36 far 0 69 0 - 7.2-27.3 HA GLN 27 - HE2 LYS 24 far 0 55 0 - 7.2-14.8 HA ALA 21 - HE3 LYS 31 far 0 81 0 - 7.2-21.7 HA LYS 31 - HE3 LYS 24 far 0 96 0 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 0 99 0 - 7.3-13.7 HA LYS 36 - HE3 LYS 24 far 0 97 0 - 7.3-29.3 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.4-25.6 HA THR 25 - HE2 LYS 19 far 0 69 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 92 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 80 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 91 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 77 0 - 7.5-20.7 HA ALA 108 - HE2 LYS 31 far 0 98 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 89 0 - 7.5-31.5 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 81 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 91 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 95 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 80 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 86 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 79 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 100 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 91 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 84 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 98 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 88 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 73 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 92 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 94 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 100 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 77 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 71 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 86 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 94 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 71 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 83 0 - 8.9-40.0 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 89 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 92 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 100 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 82 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 96 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 99 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 92 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 87 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 66 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 76 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 90 0 - 9.6-27.2 HA LYS 19 - HE2 LYS 36 far 0 92 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 83 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 76 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 78 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 96 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 75 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 98 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 78 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 683 from cnoeabs.peaks (1.75, 2.97, 41.80 ppm; 4.55 A): 12 out of 61 assignments used, quality = 1.00: HB2 LYS 26 + HE2 LYS 26 OK 99 100 100 99 2.0-5.2 4.8=85, 6250/7.1=27...(57) * HB2 LYS 26 + HE3 LYS 26 OK 99 100 100 99 2.6-5.5 4.8=85, 6250/7.1=27...(57) HB2 LYS 19 + HE3 LYS 19 OK 98 100 100 98 2.8-5.0 5.1=72, 6149/7.3=24...(64) HB2 LYS 31 + HE3 LYS 31 OK 97 99 100 98 1.8-4.7 4.8=83, 6331/7.1=24...(56) HB2 LYS 31 + HE2 LYS 31 OK 97 98 100 98 2.0-4.9 4.8=83, 6331/7.1=24...(56) HB2 LYS 24 + HE3 LYS 24 OK 97 98 100 99 3.1-5.1 5.1=72, 491/6.4=35...(31) HB2 LYS 19 + HE2 LYS 19 OK 92 94 100 98 3.2-5.1 5.1=72, 6149/7.3=24...(64) HB2 LYS 24 + HE2 LYS 24 OK 85 86 100 99 2.0-4.5 5.1=72, 491/6.4=35...(31) HB ILE 80 + HE3 LYS 86 OK 79 87 90 100 2.3-7.3 ~11243=54, 9729/2704=45...(24) HB2 LYS 31 + HE2 LYS 26 OK 31 99 35 89 3.2-17.5 639/3.6=7, 628/3.6=6...(108) HB2 LYS 31 + HE3 LYS 26 OK 26 99 30 88 3.4-17.3 639/3.6=7, 628/3.6=6...(105) HG3 ARG 90 + HE3 LYS 86 OK 22 79 35 80 4.2-9.7 11303/9660=39...(9) HB2 LYS 26 - HE2 LYS 31 poor 20 100 20 - 4.4-12.8 HB2 LYS 26 - HE3 LYS 36 poor 20 98 20 - 4.9-22.7 HB2 ARG 23 - HE2 LYS 26 poor 20 100 40 49 3.9-14.3 430/11618=7, ~11618=4...(10) HB2 ARG 23 - HE3 LYS 26 poor 19 100 40 48 3.3-14.8 ~11618=6, 430/11618=5...(10) HB2 LYS 24 - HE2 LYS 19 poor 19 94 20 - 3.8-18.2 HB2 LYS 19 - HE2 LYS 24 poor 17 87 20 - 4.1-17.5 HB2 LYS 26 - HE3 LYS 31 far 15 100 15 - 4.2-12.2 HB2 LYS 24 - HE2 LYS 26 far 15 100 15 - 5.6-12.3 HB2 LYS 31 - HE3 LYS 36 far 14 96 15 - 4.9-12.6 HB2 LYS 24 - HE3 LYS 19 poor 10 100 25 41 4.9-17.5 305/2.9=1, 2.9/1025=1...(6) HB2 LYS 24 - HE3 LYS 26 far 10 100 10 - 5.3-12.3 HB2 LYS 19 - HE3 LYS 24 far 10 98 10 - 5.3-18.0 HB2 ARG 23 - HE3 LYS 36 far 10 97 10 - 4.0-24.1 HB2 LYS 26 - HE2 LYS 36 far 9 92 10 - 3.3-22.3 HB2 ARG 23 - HE2 LYS 36 far 9 91 10 - 3.8-23.4 HB2 LYS 19 - HE3 LYS 31 far 5 100 5 - 5.9-25.9 HB2 LYS 19 - HE2 LYS 31 far 5 100 5 - 5.2-25.0 HB2 ARG 23 - HE3 LYS 31 far 5 100 5 - 5.7-20.0 HB2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.4-13.6 HB2 LYS 24 - HE3 LYS 36 far 5 98 5 - 3.6-27.4 HB2 ARG 23 - HE3 LYS 24 far 5 97 5 - 5.8-11.2 HB2 LYS 31 - HE3 LYS 24 far 5 96 5 - 5.8-20.7 HB2 LYS 24 - HE2 LYS 36 far 5 91 5 - 1.9-26.5 HB2 LYS 31 - HE2 LYS 36 far 4 89 5 - 3.5-12.9 HB2 LYS 26 - HE2 LYS 24 far 4 87 5 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 4 84 5 - 4.9-20.2 HB2 ARG 23 - HE2 LYS 24 far 0 86 0 - 6.2-11.2 HB2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.7-18.7 HB2 LEU 43 - HE3 LYS 36 far 0 72 0 - 6.8-18.1 HB2 LYS 19 - HE2 LYS 26 far 0 100 0 - 6.8-24.3 HB2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.9-18.8 HB2 ARG 23 - HE2 LYS 31 far 0 99 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 0 92 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 99 0 - 7.5-16.1 HB2 LEU 43 - HE2 LYS 31 far 0 75 0 - 7.6-24.1 HB2 LYS 19 - HE3 LYS 26 far 0 100 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.2-24.9 HB2 LEU 43 - HE2 LYS 36 far 0 64 0 - 8.5-17.0 HB2 LYS 19 - HE3 LYS 36 far 0 98 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 93 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 93 0 - 8.9-16.3 HB2 LEU 43 - HE3 LYS 31 far 0 76 0 - 9.3-24.7 HG13 ILE 129 - HE3 LYS 86 far 0 94 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 86 0 - 9.7-15.5 HB2 LEU 43 - HE3 LYS 24 far 0 72 0 - 9.7-31.8 HG LEU 100 - HE3 LYS 31 far 0 65 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 93 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 684 from cnoeabs.peaks (1.82, 2.97, 41.80 ppm; 5.18 A): 27 out of 73 assignments used, quality = 1.00: * HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.0-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-4.8 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-4.5 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.8-5.3 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 3.3-4.7 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.1-4.9 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.0-5.1 5.1=100 HB ILE 32 + HE3 LYS 36 OK 73 98 75 99 2.0-7.9 2.1/10721=28...(56) HB ILE 32 + HE2 LYS 36 OK 73 92 80 99 3.4-7.6 10833/3.0=25...(57) HB2 LYS 86 + HE3 LYS 86 OK 66 66 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE3 LYS 26 OK 55 100 60 91 4.6-19.4 2.1/10840=15, ~10840=12...(58) HB ILE 32 + HE2 LYS 26 OK 51 100 55 92 4.8-19.8 2.1/10840=15, ~10721=12...(60) HB ILE 32 + HE2 LYS 31 OK 49 100 55 90 4.3-9.5 3.2/10804=12, 10825=11...(58) HB3 LYS 31 + HE2 LYS 26 OK 47 99 50 94 2.2-19.2 629/3.6=8, 640/3.6=6...(131) HB3 LYS 31 + HE3 LYS 26 OK 42 99 45 94 3.3-19.0 629/3.6=8, 640/3.6=6...(117) HB ILE 32 + HE3 LYS 31 OK 41 100 45 91 4.6-10.3 10825/1.8=10...(60) HB3 LYS 19 + HE3 LYS 24 OK 38 96 45 87 3.9-16.9 3.0/11770=4, 2634=4...(113) HB2 LYS 36 + HE3 LYS 26 OK 33 100 45 74 2.6-28.9 1.8/1004=11, ~1004=8...(27) HB3 ARG 23 + HE2 LYS 26 OK 29 100 50 58 3.0-13.9 3.0/11618=9, ~11618=5...(35) HB3 ARG 23 + HE3 LYS 26 OK 29 100 50 57 2.6-15.2 ~11618=8, 3.0/11618=6...(36) HB2 LYS 36 + HE2 LYS 26 OK 28 100 35 79 2.4-29.4 1.8/1004=10, ~1004=9...(35) HB3 LYS 19 + HE2 LYS 24 OK 26 84 35 88 2.6-16.3 3.0/11770=4, 2634=4...(112) HB3 LYS 26 + HE3 LYS 31 OK 25 100 30 85 4.4-13.0 989/3.7=6, 835/3.7=5...(86) HB3 LYS 26 + HE2 LYS 31 OK 25 100 30 85 3.9-12.8 989/3.7=6, 835/3.7=5...(88) HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 LYS 24 - HE2 LYS 26 poor 20 100 20 - 5.5-13.1 HB3 LYS 24 - HE2 LYS 19 poor 19 93 20 - 3.5-17.2 HB2 LYS 36 - HE3 LYS 31 far 15 100 15 - 5.6-14.2 HB2 LYS 36 - HE2 LYS 31 far 15 100 15 - 6.2-12.8 HB3 LYS 24 - HE3 LYS 19 poor 15 99 25 59 4.6-17.1 2.9/1025=2, 815/3.8=1...(24) HB3 LYS 26 - HE2 LYS 36 far 14 92 15 - 4.2-22.7 HB3 LYS 31 - HE2 LYS 36 far 13 89 15 - 5.3-14.3 HB3 ARG 23 - HE3 LYS 31 far 10 100 10 - 5.4-20.0 HB3 ARG 23 - HE3 LYS 36 far 10 98 10 - 4.4-24.0 HB3 LYS 31 - HE3 LYS 36 far 10 96 10 - 4.9-14.1 HB3 ARG 23 - HE2 LYS 36 far 9 91 10 - 3.5-23.5 HB3 ARG 23 - HE2 LYS 31 far 5 99 5 - 6.3-18.9 HB3 LYS 19 - HE2 LYS 26 far 5 99 5 - 6.1-23.7 HB3 LYS 31 - HE3 LYS 19 far 5 98 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 31 far 5 98 5 - 6.5-26.1 HB3 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.6 HB3 LYS 24 - HE3 LYS 36 far 5 97 5 - 5.2-26.7 HB3 LYS 31 - HE2 LYS 19 far 5 92 5 - 5.8-26.9 HB3 LYS 24 - HE2 LYS 36 far 5 91 5 - 3.5-25.9 HB3 LYS 26 - HE2 LYS 24 far 4 87 5 - 5.2-13.2 HB2 LYS 36 - HE2 LYS 24 far 4 87 5 - 6.1-29.9 HB3 LYS 31 - HE2 LYS 24 far 4 84 5 - 6.0-19.3 HB3 LYS 26 - HE3 LYS 36 lone 4 98 25 17 5.3-23.0 10720/10721=3, 10751/10813=2 HB2 CYS 79 - HE3 LYS 86 far 4 75 5 - 6.5-10.0 HB3 LYS 31 - HE3 LYS 24 far 0 96 0 - 6.7-20.0 HB3 ARG 23 - HE3 LYS 24 far 0 98 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 86 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 87 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 99 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 98 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 99 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 91 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 92 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 68 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 67 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 96 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 96 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 68 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 685 from cnoeabs.peaks (1.43, 2.97, 41.80 ppm; 3.96 A): 15 out of 68 assignments used, quality = 1.00: HG2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.9 3.6=100 * HG2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.0 3.6=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.1-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.3-4.1 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-3.8 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 90 91 100 99 2.2-4.2 4.0=98, 484/6.4=22...(17) HG2 LYS 86 + HE3 LYS 86 OK 89 89 100 100 2.0-2.9 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.3-4.0 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 77 78 100 99 2.0-3.9 4.0=98, 484/6.4=22...(17) HG13 ILE 32 + HE3 LYS 26 OK 36 99 50 73 2.0-17.3 3.2/10721=9, 2.1/10804=8...(25) HG13 ILE 32 + HE3 LYS 36 OK 35 97 40 91 3.2-9.5 3.2/10757=17...(61) HG13 ILE 32 + HE2 LYS 31 OK 34 99 50 70 2.3-9.1 2.1/10804=10...(24) HG13 ILE 32 + HE2 LYS 36 OK 33 90 40 91 2.8-9.0 2.1/10804=14...(60) HG13 ILE 32 + HE3 LYS 31 OK 28 99 40 71 2.0-9.6 10757/6.5=9, 2.1/10804=8...(24) HG13 ILE 32 + HE2 LYS 26 OK 25 99 35 73 2.1-17.7 3.2/10721=9, 2.1/9008=9...(25) HG3 LYS 19 - HE2 LYS 24 poor 16 80 20 - 3.4-18.5 HG3 LYS 19 - HE3 LYS 24 far 14 93 15 - 4.8-19.1 HG2 LYS 26 - HE2 LYS 36 far 14 92 15 - 4.1-24.5 HG3 LYS 24 - HE2 LYS 19 far 13 85 15 - 3.7-17.8 HG3 LYS 24 - HE3 LYS 19 poor 10 94 25 43 4.5-18.1 525/5.1=2, 284/5.1=2...(4) HG2 LYS 31 - HE2 LYS 26 far 10 98 10 - 3.8-19.7 HG2 LYS 26 - HE3 LYS 36 far 10 98 10 - 3.8-24.9 HG2 LYS 31 - HE3 LYS 26 far 10 98 10 - 5.3-19.4 QB ALA 34 - HE2 LYS 36 far 8 82 10 - 5.1-8.4 QB ALA 16 - HE3 LYS 19 far 6 62 10 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 5 54 10 - 4.4-10.6 HG2 LYS 26 - HE2 LYS 31 far 5 100 5 - 5.4-15.0 HG2 LYS 31 - HE3 LYS 24 far 5 95 5 - 4.0-19.0 HG2 LYS 31 - HE3 LYS 36 far 5 95 5 - 5.4-14.2 HG3 LYS 24 - HE3 LYS 36 far 5 91 5 - 4.8-25.5 QB ALA 34 - HE3 LYS 36 far 4 89 5 - 5.3-9.2 HG2 LYS 31 - HE2 LYS 36 far 4 88 5 - 4.9-14.4 HG3 LYS 24 - HE2 LYS 36 far 4 83 5 - 3.2-24.6 HG2 LYS 31 - HE2 LYS 24 far 4 83 5 - 3.3-18.4 QB ALA 16 - HE3 LYS 31 far 3 63 5 - 5.0-24.1 QB ALA 16 - HE3 LYS 24 far 3 59 5 - 4.4-18.8 QB ALA 16 - HE2 LYS 24 far 2 48 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 36 far 0 59 0 - 5.5-25.6 QB ALA 34 - HE2 LYS 26 far 0 93 0 - 5.7-20.7 QB ALA 16 - HE2 LYS 31 far 0 62 0 - 5.8-23.5 HG2 LYS 26 - HE2 LYS 24 far 0 87 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 98 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 100 0 - 6.0-14.4 QB ALA 34 - HE3 LYS 24 far 0 89 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 93 0 - 6.1-21.1 HG3 LYS 24 - HE3 LYS 26 far 0 95 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 76 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 95 0 - 6.7-12.9 QB ALA 16 - HE2 LYS 36 far 0 52 0 - 6.8-25.2 QB ALA 34 - HE2 LYS 31 far 0 92 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 93 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 85 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 90 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 95 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 99 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 92 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 95 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 97 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 93 0 - 9.6-33.4 QB ALA 16 - HE3 LYS 26 far 0 63 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 63 0 - 9.9-22.6 QB ALA 92 - HE3 LYS 24 far 0 98 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 686 from cnoeabs.peaks (1.38, 2.97, 41.80 ppm; 3.99 A): 10 out of 125 assignments used, quality = 1.00: HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 * HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.0-4.2 4.0=99, 3.0/1064=22...(23) HG3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.4-4.2 3.7=100 HG2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.6-4.2 4.0=99, 3.0/1064=22...(23) HG2 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.0-2.8 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.0-3.9 4.0=100 HG2 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.3-3.2 3.8=100 QB ALA 28 - HE3 LYS 31 poor 20 100 20 - 4.1-9.8 QB ALA 12 - HE2 LYS 19 poor 17 69 25 - 4.2-15.0 HG2 LYS 19 - HE3 LYS 24 poor 17 84 20 - 3.9-19.3 QB ALA 12 - HE3 LYS 19 poor 15 77 20 - 4.2-15.1 QB ALA 29 - HE3 LYS 26 far 15 100 15 - 4.0-12.1 QB ALA 29 - HE2 LYS 26 far 15 100 15 - 4.1-12.1 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 2.1-13.2 QB ALA 29 - HE2 LYS 31 far 15 100 15 - 4.3-10.0 HG3 LYS 31 - HE3 LYS 26 far 15 98 15 - 4.8-18.3 HG2 LYS 19 - HE2 LYS 24 poor 14 71 20 - 2.9-18.6 HG3 LYS 31 - HE3 LYS 36 far 14 95 15 - 4.5-14.3 QB ALA 15 - HE2 LYS 19 far 14 94 15 - 2.0-11.7 QB ALA 29 - HE2 LYS 36 far 14 92 15 - 5.2-11.0 HG3 LYS 31 - HE2 LYS 36 far 13 88 15 - 4.3-14.3 QB ALA 29 - HE3 LYS 31 far 10 100 10 - 4.8-10.3 HG2 LYS 36 - HE2 LYS 26 far 10 100 10 - 5.0-27.0 HG2 LYS 36 - HE3 LYS 26 far 10 100 10 - 5.1-26.6 QB ALA 15 - HE2 LYS 31 far 10 100 10 - 3.9-23.1 HG2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.6-18.0 HG3 LYS 26 - HE2 LYS 31 far 10 100 10 - 5.0-15.0 HG3 LYS 31 - HE2 LYS 26 far 10 98 10 - 4.3-18.5 QB ALA 28 - HE3 LYS 24 far 10 98 10 - 5.3-13.7 HG2 LYS 24 - HE2 LYS 19 far 9 94 10 - 4.3-16.8 QB ALA 28 - HE2 LYS 24 far 9 87 10 - 4.5-13.8 QB ALA 16 - HE3 LYS 19 far 7 75 10 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 7 66 10 - 4.4-10.6 QB ALA 110 - HE3 LYS 26 far 5 100 5 - 4.0-28.9 QB ALA 15 - HE3 LYS 31 far 5 100 5 - 4.6-22.3 QB ALA 110 - HE2 LYS 26 far 5 100 5 - 4.9-30.1 HG2 LYS 36 - HE3 LYS 31 far 5 100 5 - 5.1-14.9 QB ALA 28 - HE3 LYS 26 far 5 100 5 - 5.4-9.7 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 5.4-12.1 HG2 LYS 36 - HE2 LYS 31 far 5 100 5 - 5.3-13.7 QB ALA 109 - HE3 LYS 26 far 5 99 5 - 5.3-26.1 QB ALA 15 - HE3 LYS 24 far 5 98 5 - 2.0-19.1 QB ALA 109 - HE3 LYS 19 far 5 98 5 - 4.7-41.8 HG3 LYS 26 - HE3 LYS 36 far 5 98 5 - 4.4-24.9 HG3 LYS 26 - HE3 LYS 24 far 5 98 5 - 5.5-12.7 QB ALA 29 - HE3 LYS 36 far 5 98 5 - 5.3-11.4 HB2 LEU 42 - HE3 LYS 36 far 5 98 5 - 5.0-13.1 HG3 LYS 95 - HE3 LYS 24 far 5 98 5 - 4.2-36.6 HG2 LYS 95 - HE3 LYS 24 far 5 97 5 - 4.3-36.3 HG3 LYS 31 - HE3 LYS 24 far 5 95 5 - 5.2-18.7 HG3 LYS 26 - HE2 LYS 36 far 5 92 5 - 4.6-24.5 HG2 LYS 24 - HE2 LYS 36 far 5 92 5 - 4.2-26.3 QB ALA 28 - HE2 LYS 31 lone 5 100 25 18 4.7-10.1 ~10771=12, 6334/7.1=3 QB ALA 109 - HE2 LYS 19 far 5 92 5 - 5.1-43.2 QB ALA 15 - HE2 LYS 24 far 4 87 5 - 2.0-19.1 HG3 LYS 26 - HE2 LYS 24 far 4 87 5 - 5.0-12.3 HG3 LYS 95 - HE2 LYS 24 far 4 86 5 - 5.2-35.1 HG3 LYS 31 - HE2 LYS 24 far 4 83 5 - 4.1-18.0 QB ALA 16 - HE3 LYS 31 far 4 76 5 - 5.0-24.1 QB ALA 12 - HE3 LYS 24 far 4 74 5 - 5.0-19.7 QB ALA 16 - HE3 LYS 24 far 4 72 5 - 4.4-18.8 QB ALA 16 - HE2 LYS 24 far 3 59 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 36 far 0 72 0 - 5.5-25.6 QB ALA 29 - HE2 LYS 24 far 0 87 0 - 5.6-13.5 HG2 LYS 24 - HE3 LYS 36 far 0 98 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 85 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 100 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 100 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 75 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 100 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 86 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 77 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 91 0 - 6.0-12.2 QB ALA 12 - HE2 LYS 24 far 0 62 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 98 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 98 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 87 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 100 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 89 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 92 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 99 0 - 6.6-27.0 HG3 LYS 31 - HE2 LYS 19 far 0 90 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 64 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 94 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 100 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 98 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 100 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 78 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 94 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 88 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 100 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 98 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 84 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 92 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 98 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 100 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 84 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 89 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 100 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 96 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 94 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 99 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 94 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 100 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 100 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 94 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 98 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 100 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 74 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 66 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 76 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 76 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 87 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 687 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 3.47 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.6-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 19 97 20 - 2.5-24.7 HD3 LYS 19 - HE2 LYS 24 poor 16 80 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 98 15 - 3.3-25.8 HD3 LYS 19 - HE3 LYS 24 far 14 93 15 - 2.2-19.0 HD3 LYS 26 - HE2 LYS 36 far 14 92 15 - 2.9-24.6 HD2 LYS 19 - HE2 LYS 24 far 12 80 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD2 LYS 36 - HE2 LYS 26 far 10 97 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 10 97 10 - 3.6-25.8 HD2 LYS 36 - HE2 LYS 31 far 10 97 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 97 10 - 4.3-13.8 HD3 LYS 24 - HE2 LYS 19 far 9 94 10 - 4.2-18.5 HD2 LYS 19 - HE3 LYS 24 far 9 93 10 - 2.9-18.4 HD2 LYS 26 - HE2 LYS 36 far 9 92 10 - 1.9-25.5 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD3 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.6-14.9 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD2 LYS 36 - HE3 LYS 31 far 5 97 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 97 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 4 87 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 94 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 98 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 88 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 82 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 97 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 87 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 83 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 96 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 82 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 68 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 94 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 85 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 77 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 83 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 98 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 94 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 99 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 86 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 97 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 95 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 86 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 88 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 70 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 75 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 99 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 89 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 688 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 3.47 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.6-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 19 96 20 - 2.5-24.7 HD3 LYS 19 - HE2 LYS 24 poor 17 83 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 98 15 - 3.3-25.8 HD3 LYS 19 - HE3 LYS 24 far 14 95 15 - 2.2-19.0 HD3 LYS 26 - HE2 LYS 36 far 14 92 15 - 2.9-24.6 HD2 LYS 19 - HE2 LYS 24 far 12 83 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD2 LYS 36 - HE2 LYS 26 far 10 96 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 10 96 10 - 3.6-25.8 HD2 LYS 19 - HE3 LYS 24 far 9 95 10 - 2.9-18.4 HD2 LYS 36 - HE2 LYS 31 far 9 95 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 9 95 10 - 4.3-13.8 HD3 LYS 24 - HE2 LYS 19 far 9 94 10 - 4.2-18.5 HD2 LYS 26 - HE2 LYS 36 far 9 92 10 - 1.9-25.5 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.6-14.9 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD2 LYS 36 - HE3 LYS 31 far 5 96 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 96 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 96 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 91 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 4 87 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 91 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 94 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 98 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 86 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 86 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 79 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 93 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 98 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 87 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 85 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 97 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 88 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 79 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 95 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 92 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 86 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 80 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 78 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 97 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 92 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 78 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 99 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 88 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 96 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 97 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 88 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 91 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 97 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 66 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 71 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 99 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 92 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 689 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE3 LYS 86 + HE3 LYS 86 OK 93 93 - 100 HE2 LYS 19 + HE2 LYS 19 OK 90 90 - 100 HE2 LYS 36 + HE2 LYS 36 OK 87 87 - 100 HE2 LYS 24 + HE2 LYS 24 OK 79 79 - 100 Reference assignment not found: HE2 LYS 26 - HE3 LYS 26 Peak 690 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 * HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE3 LYS 86 + HE3 LYS 86 OK 93 93 - 100 HE2 LYS 19 + HE2 LYS 19 OK 90 90 - 100 HE2 LYS 36 + HE2 LYS 36 OK 87 87 - 100 HE2 LYS 24 + HE2 LYS 24 OK 79 79 - 100 Peak 692 from cnoeabs.peaks (8.39, 4.24, 56.10 ppm; 3.20 A): 1 out of 12 assignments used, quality = 1.00: * H GLN 27 + HA GLN 27 OK 100 100 100 100 2.5-2.9 3.0=100 H LYS 26 - HA GLN 27 far 9 87 10 - 4.4-5.6 H THR 65 - HA GLU 30 far 2 39 5 - 4.2-17.4 H SER 74 - HA GLU 30 far 0 30 0 - 4.9-20.3 H THR 65 - HA GLN 27 far 0 99 0 - 5.3-17.5 H GLY 14 - HA GLU 30 far 0 27 0 - 5.7-27.0 H LYS 26 - HA GLU 30 far 0 31 0 - 6.1-12.5 H GLN 27 - HA GLU 30 far 0 41 0 - 6.2-10.9 H LYS 24 - HA GLN 27 far 0 85 0 - 6.2-11.2 H ASP 35 - HA GLN 27 far 0 100 0 - 7.6-18.0 H LYS 24 - HA GLU 30 far 0 30 0 - 8.6-15.7 H ASP 35 - HA GLU 30 far 0 41 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 693 from cnoeabs.peaks (4.24, 4.24, 56.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 27 + HA GLN 27 OK 100 100 - 100 HA GLU 30 + HA GLU 30 OK 31 31 - 100 Peak 694 from cnoeabs.peaks (1.96, 4.24, 56.10 ppm; 3.07 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 30 + HA GLU 30 OK 38 38 100 100 2.4-3.0 3.0=100 HB2 PRO 58 - HA GLU 30 far 0 33 0 - 5.6-25.0 HB2 GLN 27 - HA GLU 30 far 0 41 0 - 5.7-9.9 HB2 GLU 30 - HA GLN 27 far 0 98 0 - 6.5-9.5 HG LEU 53 - HA GLN 27 far 0 60 0 - 7.2-28.1 HB2 PRO 58 - HA GLN 27 far 0 90 0 - 7.4-23.1 HB3 ARG 90 - HA GLU 30 far 0 34 0 - 8.0-27.6 HB3 LEU 53 - HA GLN 27 far 0 60 0 - 8.4-29.4 HB ILE 37 - HA GLN 27 far 0 100 0 - 9.8-18.9 Violated in 0 structures by 0.00 A. Peak 695 from cnoeabs.peaks (2.06, 4.24, 56.10 ppm; 3.11 A): 1 out of 12 assignments used, quality = 1.00: * HB3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 44 - HA GLN 27 far 4 89 5 - 3.4-23.5 HG3 PRO 58 - HA GLU 30 far 2 37 5 - 4.1-24.6 HB3 GLU 44 - HA GLU 30 far 0 32 0 - 7.3-22.5 HB3 GLN 27 - HA GLU 30 far 0 41 0 - 7.4-10.2 HB2 GLU 102 - HA GLN 27 far 0 81 0 - 7.7-29.8 QE MET 11 - HA GLU 30 far 0 29 0 - 7.9-28.7 HB2 LEU 62 - HA GLU 30 far 0 40 0 - 8.2-20.7 HG3 PRO 58 - HA GLN 27 far 0 97 0 - 8.3-23.2 HB2 LEU 62 - HA GLN 27 far 0 100 0 - 8.9-22.6 QE MET 11 - HA GLN 27 far 0 83 0 - 9.0-24.0 HB3 GLU 40 - HA GLN 27 far 0 71 0 - 9.4-26.9 Violated in 0 structures by 0.00 A. Peak 696 from cnoeabs.peaks (2.35, 4.24, 56.10 ppm; 3.73 A): 3 out of 12 assignments used, quality = 1.00: * HG2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.4-3.8 3.7=100 HG3 GLN 27 + HA GLN 27 OK 99 99 100 100 2.3-3.7 3.7=100 HG3 GLU 30 + HA GLU 30 OK 28 28 100 100 2.3-3.8 3.8=96, 6321/3.0=50...(17) HG3 GLU 30 - HA GLN 27 far 8 81 10 - 4.8-8.9 HG2 GLU 102 - HA GLN 27 far 5 99 5 - 5.2-30.4 HG2 GLU 44 - HA GLN 27 far 5 92 5 - 4.4-25.6 HG2 GLN 104 - HA GLN 27 far 3 60 5 - 4.5-25.9 HG3 GLN 27 - HA GLU 30 far 0 40 0 - 6.0-11.8 HG2 GLN 27 - HA GLU 30 far 0 41 0 - 6.1-12.1 HB VAL 77 - HA GLU 30 far 0 31 0 - 6.9-25.5 HG3 GLN 68 - HA GLN 27 far 0 60 0 - 7.0-16.7 HG2 GLU 44 - HA GLU 30 far 0 34 0 - 8.4-23.9 Violated in 0 structures by 0.00 A. Peak 697 from cnoeabs.peaks (2.36, 4.24, 56.10 ppm; 3.73 A): 3 out of 12 assignments used, quality = 1.00: * HG3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.3-3.7 3.7=100 HG2 GLN 27 + HA GLN 27 OK 99 99 100 100 2.4-3.8 3.7=100 HG3 GLU 30 + HA GLU 30 OK 21 21 100 100 2.3-3.8 3.8=96, 6321/3.0=41...(17) HG3 GLU 30 - HA GLN 27 far 7 65 10 - 4.8-8.9 HG2 GLU 102 - HA GLN 27 far 5 100 5 - 5.2-30.4 HG2 GLU 44 - HA GLN 27 far 4 81 5 - 4.4-25.6 HG2 GLN 104 - HA GLN 27 far 4 76 5 - 4.5-25.9 HG2 GLN 104 - HA GLU 30 far 1 26 5 - 4.3-19.8 HG3 GLN 27 - HA GLU 30 far 0 41 0 - 6.0-11.8 HG2 GLN 27 - HA GLU 30 far 0 40 0 - 6.1-12.1 HB VAL 77 - HA GLU 30 far 0 24 0 - 6.9-25.5 HG2 GLU 44 - HA GLU 30 far 0 28 0 - 8.4-23.9 Violated in 0 structures by 0.00 A. Peak 700 from cnoeabs.peaks (8.33, 4.24, 56.10 ppm; 2.86 A): 1 out of 16 assignments used, quality = 0.93: * H ALA 28 + HA GLN 27 OK 93 100 100 93 3.2-3.6 3.6=51, 6298/3.0=40...(22) H LEU 49 - HA GLN 27 far 4 73 5 - 4.2-23.2 H ALA 28 - HA GLU 30 far 0 41 0 - 5.1-8.1 H GLU 44 - HA GLN 27 far 0 99 0 - 5.4-23.2 H LEU 69 - HA GLU 30 far 0 20 0 - 6.1-13.5 H LYS 19 - HA GLU 30 far 0 27 0 - 7.0-25.5 H ALA 110 - HA GLN 27 far 0 68 0 - 7.1-34.8 H GLY 17 - HA GLU 30 far 0 39 0 - 7.5-26.0 H TYR 72 - HA GLU 30 far 0 40 0 - 7.6-17.4 H LEU 49 - HA GLU 30 far 0 24 0 - 7.8-20.6 H ALA 21 - HA GLU 30 far 0 30 0 - 8.0-21.9 H ALA 21 - HA GLN 27 far 0 85 0 - 8.1-16.2 H LEU 69 - HA GLN 27 far 0 63 0 - 8.4-15.7 H GLY 111 - HA GLN 27 far 0 73 0 - 8.8-32.6 H GLY 111 - HA GLU 30 far 0 24 0 - 9.1-28.8 H ALA 110 - HA GLU 30 far 0 22 0 - 9.7-29.5 Violated in 20 structures by 0.67 A. Peak 701 from cnoeabs.peaks (8.39, 1.96, 29.32 ppm; 3.17 A): 1 out of 14 assignments used, quality = 1.00: * H GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.5-3.6 6271=100, 6272/1.8=74...(17) H LYS 26 - HB2 GLN 27 far 9 87 10 - 4.4-6.3 H LYS 24 - HB2 GLN 27 far 8 85 10 - 3.9-12.7 H LYS 26 - HB2 GLU 30 far 3 67 5 - 4.6-11.8 H THR 65 - HB2 GLU 30 far 0 81 0 - 4.8-20.2 H GLN 27 - HB2 GLU 30 far 0 84 0 - 5.1-10.6 H LYS 24 - HB2 GLU 30 far 0 65 0 - 6.0-15.8 H GLY 14 - HB2 GLU 30 far 0 59 0 - 6.2-26.8 H SER 74 - HB2 GLU 30 far 0 65 0 - 7.6-22.5 H THR 65 - HB2 GLN 27 far 0 99 0 - 8.1-18.3 H MET 11 - HB2 GLN 27 far 0 71 0 - 8.3-31.2 H SER 74 - HB2 GLN 27 far 0 85 0 - 9.0-24.3 H MET 11 - HB2 GLU 30 far 0 53 0 - 9.0-35.3 H ASP 35 - HB2 GLN 27 far 0 100 0 - 9.8-17.6 Violated in 2 structures by 0.03 A. Peak 702 from cnoeabs.peaks (4.24, 1.96, 29.32 ppm; 3.30 A): 3 out of 21 assignments used, quality = 1.00: * HA GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 28 + HB2 GLN 27 OK 86 99 90 96 3.7-5.9 3.0/6297=40, ~6298=29...(22) HA GLU 30 + HB2 GLU 30 OK 67 67 100 100 2.4-3.0 3.0=100 HA LYS 26 - HB2 GLU 30 poor 11 53 20 - 2.7-11.7 HA ALA 28 - HB2 GLU 30 far 8 82 10 - 4.4-6.3 HA SER 94 - HB2 GLN 27 far 5 97 5 - 4.3-29.1 HA LEU 22 - HB2 GLN 27 far 0 73 0 - 5.0-16.1 HA ALA 29 - HB2 GLN 27 far 0 92 0 - 5.0-7.7 HA ALA 29 - HB2 GLU 30 far 0 72 0 - 5.1-5.6 HA LYS 26 - HB2 GLN 27 far 0 71 0 - 5.2-6.6 HA LYS 19 - HB2 GLN 27 far 0 76 0 - 5.5-21.8 HA GLU 30 - HB2 GLN 27 far 0 87 0 - 5.7-9.9 HA LYS 19 - HB2 GLU 30 far 0 57 0 - 6.2-23.1 HA HIS 67 - HB2 GLN 27 far 0 68 0 - 6.3-19.7 HA LEU 22 - HB2 GLU 30 far 0 55 0 - 6.4-19.3 HA GLN 27 - HB2 GLU 30 far 0 84 0 - 6.5-9.5 HA SER 51 - HB2 GLN 27 far 0 65 0 - 7.9-30.6 HA SER 94 - HB2 GLU 30 far 0 77 0 - 8.4-26.6 HA HIS 67 - HB2 GLU 30 far 0 50 0 - 8.8-16.1 HA SER 99 - HB2 GLN 27 far 0 68 0 - 8.8-26.0 HB3 SER 38 - HB2 GLN 27 far 0 81 0 - 9.4-22.4 Violated in 0 structures by 0.00 A. Peak 703 from cnoeabs.peaks (1.96, 1.96, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 27 + HB2 GLN 27 OK 100 100 - 100 HB2 GLU 30 + HB2 GLU 30 OK 80 80 - 100 Peak 704 from cnoeabs.peaks (2.06, 1.96, 29.32 ppm; 2.50 A): 1 out of 16 assignments used, quality = 1.00: * HB3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 44 - HB2 GLN 27 far 9 89 10 - 2.4-24.0 HB3 GLN 27 - HB2 GLU 30 far 0 84 0 - 5.0-9.7 HG3 PRO 58 - HB2 GLU 30 far 0 77 0 - 6.6-27.3 QE MET 11 - HB2 GLU 30 far 0 63 0 - 7.1-28.1 QE MET 11 - HB2 GLN 27 far 0 83 0 - 7.5-24.6 HB3 GLU 44 - HB2 GLU 30 far 0 69 0 - 7.6-23.2 HB VAL 57 - HB2 GLU 30 far 0 44 0 - 7.7-26.8 HB3 GLU 40 - HB2 GLN 27 far 0 71 0 - 7.7-27.6 HB2 LEU 62 - HB2 GLU 30 far 0 83 0 - 8.7-22.8 HB2 GLU 102 - HB2 GLN 27 far 0 81 0 - 8.7-28.0 HB VAL 57 - HB2 GLN 27 far 0 60 0 - 8.7-25.3 HG3 PRO 58 - HB2 GLN 27 far 0 97 0 - 9.5-24.0 HB VAL 118 - HB2 GLN 27 far 0 100 0 - 9.8-23.4 HB2 LEU 62 - HB2 GLN 27 far 0 100 0 - 9.9-23.0 HB3 GLU 55 - HB2 GLN 27 far 0 85 0 - 9.9-32.7 Violated in 0 structures by 0.00 A. Peak 705 from cnoeabs.peaks (2.35, 1.96, 29.32 ppm; 3.69 A): 3 out of 14 assignments used, quality = 1.00: * HG2 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 27 + HB2 GLN 27 OK 99 99 100 100 2.2-3.0 3.0=100 HG3 GLU 30 + HB2 GLU 30 OK 61 61 100 100 2.2-2.9 3.0=100 HG2 GLU 44 - HB2 GLN 27 far 9 92 10 - 3.5-26.7 HG3 GLN 27 - HB2 GLU 30 far 8 82 10 - 4.2-11.3 HG3 GLU 30 - HB2 GLN 27 poor 6 81 25 28 2.0-8.1 10792/10791=8...(6) HG2 GLN 27 - HB2 GLU 30 far 4 84 5 - 4.1-11.4 HG2 GLN 104 - HB2 GLN 27 far 3 60 5 - 4.8-24.9 HG3 GLN 68 - HB2 GLU 30 far 2 44 5 - 3.9-17.7 HG2 GLN 104 - HB2 GLU 30 far 2 44 5 - 4.3-21.1 HG2 GLU 102 - HB2 GLN 27 far 0 99 0 - 5.8-28.6 HB VAL 77 - HB2 GLU 30 far 0 67 0 - 7.7-27.6 HG2 GLU 44 - HB2 GLU 30 far 0 72 0 - 8.7-25.4 HG3 GLN 68 - HB2 GLN 27 far 0 60 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 706 from cnoeabs.peaks (2.36, 1.96, 29.32 ppm; 3.66 A): 3 out of 12 assignments used, quality = 1.00: * HG3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 27 + HB2 GLN 27 OK 99 99 100 100 2.2-3.0 3.0=100 HG3 GLU 30 + HB2 GLU 30 OK 48 48 100 100 2.2-2.9 3.0=100 HG3 GLU 30 - HB2 GLN 27 poor 16 65 25 - 2.0-8.1 HG3 GLN 27 - HB2 GLU 30 far 8 84 10 - 4.2-11.3 HG2 GLU 44 - HB2 GLN 27 far 8 81 10 - 3.5-26.7 HG2 GLN 27 - HB2 GLU 30 far 4 82 5 - 4.1-11.4 HG2 GLN 104 - HB2 GLN 27 far 4 76 5 - 4.8-24.9 HG2 GLN 104 - HB2 GLU 30 far 3 57 5 - 4.3-21.1 HG2 GLU 102 - HB2 GLN 27 far 0 100 0 - 5.8-28.6 HB VAL 77 - HB2 GLU 30 far 0 55 0 - 7.7-27.6 HG2 GLU 44 - HB2 GLU 30 far 0 61 0 - 8.7-25.4 Violated in 0 structures by 0.00 A. Peak 709 from cnoeabs.peaks (8.33, 1.96, 29.32 ppm; 4.48 A): 2 out of 14 assignments used, quality = 1.00: * H ALA 28 + HB2 GLN 27 OK 100 100 100 100 1.8-3.9 6298/1.8=99, 4.6=90...(24) H ALA 28 + HB2 GLU 30 OK 49 84 60 98 3.6-7.5 6304/10791=34, ~10792=25...(27) H GLU 44 - HB2 GLN 27 far 10 99 10 - 4.6-24.1 H ALA 21 - HB2 GLN 27 far 4 85 5 - 5.8-18.0 H ALA 21 - HB2 GLU 30 far 3 65 5 - 5.3-21.5 H LYS 19 - HB2 GLU 30 far 3 59 5 - 5.5-25.0 H GLY 17 - HB2 GLU 30 far 0 81 0 - 6.1-26.0 H LEU 49 - HB2 GLN 27 far 0 73 0 - 6.3-23.8 H ALA 110 - HB2 GLN 27 far 0 68 0 - 6.8-32.1 H LEU 69 - HB2 GLU 30 far 0 46 0 - 7.3-15.2 H LYS 19 - HB2 GLN 27 far 0 78 0 - 7.8-21.9 H LEU 49 - HB2 GLU 30 far 0 55 0 - 8.3-21.5 H GLY 111 - HB2 GLN 27 far 0 73 0 - 8.6-32.0 H ALA 110 - HB2 GLU 30 far 0 50 0 - 9.9-29.9 Violated in 0 structures by 0.00 A. Peak 710 from cnoeabs.peaks (8.39, 2.06, 29.32 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * H GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.5-4.0 6272=100, 6271/1.8=88...(16) H LYS 26 - HB3 GLN 27 far 0 87 0 - 4.9-7.0 H LYS 24 - HB3 GLN 27 far 0 85 0 - 5.3-12.7 H THR 65 - HB3 GLN 27 far 0 99 0 - 7.1-19.0 H ASP 35 - HB3 GLN 27 far 0 100 0 - 9.0-17.8 H SER 74 - HB3 GLN 27 far 0 85 0 - 9.3-23.9 H MET 11 - HB3 GLN 27 far 0 71 0 - 9.9-30.3 Violated in 19 structures by 0.31 A. Peak 711 from cnoeabs.peaks (4.24, 2.06, 29.32 ppm; 3.10 A): 2 out of 12 assignments used, quality = 1.00: * HA GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 28 + HB3 GLN 27 OK 28 99 30 95 4.1-5.6 3.0/6298=47, 702/1.8=27...(24) HA ALA 29 - HB3 GLN 27 far 0 92 0 - 5.3-7.9 HA HIS 67 - HB3 GLN 27 far 0 68 0 - 5.3-19.8 HA SER 94 - HB3 GLN 27 far 0 97 0 - 5.6-28.7 HA LYS 19 - HB3 GLN 27 far 0 76 0 - 5.8-22.0 HA LEU 22 - HB3 GLN 27 far 0 73 0 - 5.9-17.0 HA LYS 26 - HB3 GLN 27 far 0 71 0 - 5.9-6.6 HA SER 51 - HB3 GLN 27 far 0 65 0 - 6.4-31.6 HA GLU 30 - HB3 GLN 27 far 0 87 0 - 7.4-10.2 HA SER 99 - HB3 GLN 27 far 0 68 0 - 8.0-27.6 HB3 SER 38 - HB3 GLN 27 far 0 81 0 - 8.4-23.0 Violated in 0 structures by 0.00 A. Peak 712 from cnoeabs.peaks (1.96, 2.06, 29.32 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 30 - HB3 GLN 27 far 0 98 0 - 5.0-9.7 HG LEU 53 - HB3 GLN 27 far 0 60 0 - 6.1-28.8 HB3 LEU 53 - HB3 GLN 27 far 0 60 0 - 7.2-30.7 HB2 GLU 55 - HB3 GLN 27 far 0 68 0 - 7.9-32.2 HB2 PRO 58 - HB3 GLN 27 far 0 90 0 - 9.3-24.1 HB3 LYS 95 - HB3 GLN 27 far 0 71 0 - 9.5-29.1 HB2 LYS 95 - HB3 GLN 27 far 0 63 0 - 9.6-28.3 HB ILE 37 - HB3 GLN 27 far 0 100 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 713 from cnoeabs.peaks (2.06, 2.06, 29.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 27 + HB3 GLN 27 OK 100 100 - 100 Peak 714 from cnoeabs.peaks (2.35, 2.06, 29.32 ppm; 3.47 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 27 + HB3 GLN 27 OK 99 99 100 100 2.3-3.0 3.0=100 HG2 GLU 44 - HB3 GLN 27 far 9 92 10 - 3.9-27.4 HG3 GLU 30 - HB3 GLN 27 far 8 81 10 - 3.7-8.9 HG2 GLN 104 - HB3 GLN 27 far 6 60 10 - 3.8-23.5 HG2 GLU 102 - HB3 GLN 27 far 5 99 5 - 4.3-30.3 HG3 GLN 68 - HB3 GLN 27 far 0 60 0 - 8.4-16.6 Violated in 0 structures by 0.00 A. Peak 715 from cnoeabs.peaks (2.36, 2.06, 29.32 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 27 + HB3 GLN 27 OK 99 99 100 100 2.2-3.0 3.0=100 HG2 GLU 44 - HB3 GLN 27 far 8 81 10 - 3.9-27.4 HG2 GLN 104 - HB3 GLN 27 far 8 76 10 - 3.8-23.5 HG3 GLU 30 - HB3 GLN 27 far 7 65 10 - 3.7-8.9 HG2 GLU 102 - HB3 GLN 27 far 5 100 5 - 4.3-30.3 Violated in 0 structures by 0.00 A. Peak 718 from cnoeabs.peaks (8.33, 2.06, 29.32 ppm; 4.12 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 28 + HB3 GLN 27 OK 100 100 100 100 1.8-4.1 6298=100, 700/3.0=82...(26) H GLU 44 - HB3 GLN 27 far 10 99 10 - 3.5-25.0 H LEU 49 - HB3 GLN 27 far 4 73 5 - 5.0-24.8 H ALA 21 - HB3 GLN 27 far 0 85 0 - 5.7-18.5 H ALA 110 - HB3 GLN 27 far 0 68 0 - 7.3-33.3 H LYS 19 - HB3 GLN 27 far 0 78 0 - 7.8-21.9 H GLY 111 - HB3 GLN 27 far 0 73 0 - 8.7-31.0 H LEU 69 - HB3 GLN 27 far 0 63 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 719 from cnoeabs.peaks (8.39, 2.35, 33.67 ppm; 3.74 A): 3 out of 12 assignments used, quality = 1.00: * H GLN 27 + HG2 GLN 27 OK 100 100 100 100 1.7-4.2 6271/3.0=76, 6272/3.0=70...(18) H GLN 27 + HG3 GLN 27 OK 98 98 100 100 1.7-2.9 6271/3.0=76, 6272/3.0=70...(18) H LYS 26 + HG3 GLN 27 OK 49 83 80 74 3.7-5.4 4.3/10725=32...(14) H LYS 26 - HG2 GLN 27 poor 15 87 30 58 3.8-7.0 4.6/6273=20...(14) H LYS 24 - HG2 GLN 27 far 4 85 5 - 4.9-12.4 H LYS 24 - HG3 GLN 27 far 4 81 5 - 4.9-11.8 H THR 65 - HG3 GLN 27 far 0 96 0 - 5.9-19.2 H THR 65 - HG2 GLN 27 far 0 99 0 - 6.7-20.0 H ASP 35 - HG3 GLN 27 far 0 98 0 - 7.2-19.7 H ASP 35 - HG2 GLN 27 far 0 100 0 - 8.0-19.2 H HIS 3 - HG2 GLN 127 far 0 81 0 - 8.1-70.0 H MET 11 - HG3 GLN 27 far 0 67 0 - 9.4-30.4 Violated in 0 structures by 0.00 A. Peak 720 from cnoeabs.peaks (4.24, 2.35, 33.67 ppm; 3.58 A): 3 out of 27 assignments used, quality = 1.00: * HA GLN 27 + HG2 GLN 27 OK 99 100 100 99 2.4-3.8 3.7=90, 697/1.8=38...(14) HA GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.3-3.7 3.7=90, 696/1.8=38...(15) HA SER 124 + HG2 GLN 127 OK 81 85 100 95 2.0-4.5 11672/1.8=53...(15) HA LYS 26 - HG3 GLN 27 poor 19 67 50 56 4.0-6.2 3.6/6273=25...(9) HA LYS 26 - HG2 GLN 27 poor 11 71 30 51 3.9-7.0 3.6/6273=25...(9) HA ALA 28 - HG2 GLN 27 far 5 99 5 - 4.2-6.9 HA ALA 28 - HG3 GLN 27 far 0 97 0 - 5.1-6.7 HA SER 94 - HG2 GLN 27 far 0 97 0 - 5.7-30.3 HA HIS 67 - HG2 GLN 27 far 0 68 0 - 5.9-20.8 HA ALA 29 - HG3 GLN 27 far 0 88 0 - 5.9-8.1 HA GLU 30 - HG3 GLN 27 far 0 83 0 - 6.0-11.8 HA GLU 30 - HG2 GLN 27 far 0 87 0 - 6.1-12.1 HA ALA 29 - HG2 GLN 27 far 0 92 0 - 6.4-9.0 HA SER 99 - HG2 GLN 27 far 0 68 0 - 6.5-28.5 HA SER 94 - HG3 GLN 27 far 0 93 0 - 6.7-28.9 HB3 SER 38 - HG3 GLN 27 far 0 76 0 - 6.8-24.4 HA LEU 22 - HG2 GLN 27 far 0 73 0 - 7.0-16.6 HA LYS 19 - HG3 GLN 27 far 0 72 0 - 7.1-22.3 HA LYS 19 - HG2 GLN 27 far 0 76 0 - 7.2-23.5 HA SER 51 - HG2 GLN 27 far 0 65 0 - 7.4-32.1 HA HIS 67 - HG3 GLN 27 far 0 64 0 - 7.5-19.4 HA SER 51 - HG2 GLN 127 far 0 49 0 - 7.5-9.6 HA LEU 22 - HG3 GLN 27 far 0 69 0 - 7.5-15.4 HA SER 99 - HG3 GLN 27 far 0 64 0 - 7.8-27.1 HA SER 51 - HG3 GLN 27 far 0 61 0 - 7.9-31.1 HB3 SER 38 - HG2 GLN 27 far 0 81 0 - 8.1-23.5 HA ALA 34 - HG3 GLN 27 far 0 81 0 - 9.3-18.5 Violated in 0 structures by 0.00 A. Peak 721 from cnoeabs.peaks (1.96, 2.35, 33.67 ppm; 3.17 A): 2 out of 20 assignments used, quality = 1.00: * HB2 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.2-3.0 3.0=100 HG LEU 53 - HG2 GLN 127 poor 9 45 20 - 3.1-7.1 HB2 GLU 30 - HG2 GLN 27 far 5 98 5 - 4.1-11.4 HB2 GLU 30 - HG3 GLN 27 far 5 95 5 - 4.2-11.3 HB3 LEU 53 - HG2 GLN 127 far 4 45 10 - 4.1-8.0 HB2 PRO 58 - HG3 GLN 27 far 0 86 0 - 7.7-25.2 HB2 PRO 58 - HG2 GLN 27 far 0 90 0 - 8.1-25.7 HB3 LYS 95 - HG2 GLN 27 far 0 71 0 - 8.2-29.2 HB2 LYS 95 - HG2 GLN 27 far 0 63 0 - 8.5-28.9 HG LEU 53 - HG2 GLN 27 far 0 60 0 - 8.5-29.5 HB ILE 37 - HG3 GLN 27 far 0 98 0 - 8.7-20.5 HG LEU 53 - HG3 GLN 27 far 0 56 0 - 9.1-28.3 HB2 LYS 95 - HG2 GLN 127 far 0 47 0 - 9.3-11.6 HB2 GLU 55 - HG2 GLN 27 far 0 68 0 - 9.3-33.3 HB3 LEU 53 - HG2 GLN 27 far 0 60 0 - 9.4-31.4 HB3 LYS 95 - HG2 GLN 127 far 0 54 0 - 9.4-12.2 HB2 GLU 55 - HG3 GLN 27 far 0 64 0 - 9.6-32.5 HB3 LYS 95 - HG3 GLN 27 far 0 67 0 - 9.7-28.0 HB2 LYS 95 - HG3 GLN 27 far 0 59 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 722 from cnoeabs.peaks (2.06, 2.35, 33.67 ppm; 3.16 A): 3 out of 23 assignments used, quality = 1.00: * HB3 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.3-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 85 85 100 100 2.2-3.0 3.0=100 HB3 GLU 44 - HG3 GLN 27 far 4 84 5 - 4.6-24.3 HB3 GLU 44 - HG2 GLN 27 far 0 89 0 - 4.7-24.4 HB2 GLU 128 - HG2 GLN 127 far 0 64 0 - 6.0-7.8 HB2 GLU 102 - HG2 GLN 27 far 0 81 0 - 6.6-30.3 HB2 GLU 102 - HG3 GLN 27 far 0 76 0 - 6.7-28.8 HG3 PRO 58 - HG3 GLN 27 far 0 93 0 - 7.0-25.4 HB3 GLU 40 - HG3 GLN 27 far 0 67 0 - 7.3-27.3 HB VAL 118 - HG2 GLN 27 far 0 100 0 - 7.5-25.4 HB2 LEU 62 - HG3 GLN 27 far 0 98 0 - 7.6-24.2 HB3 GLU 40 - HG2 GLN 27 far 0 71 0 - 7.9-28.0 HB2 LEU 62 - HG2 GLN 27 far 0 100 0 - 8.0-25.1 HG3 PRO 58 - HG2 GLN 27 far 0 97 0 - 8.2-25.9 HB VAL 118 - HG3 GLN 27 far 0 98 0 - 8.6-24.2 QE MET 11 - HG3 GLN 27 far 0 78 0 - 9.0-24.3 HB VAL 57 - HG3 GLN 27 far 0 56 0 - 9.1-26.5 HB2 LEU 62 - HG2 GLN 127 far 0 85 0 - 9.3-13.2 HB2 GLN 127 - HG3 GLN 27 far 0 98 0 - 9.7-27.5 HG3 GLN 134 - HG3 GLN 27 far 0 76 0 - 9.8-28.5 QE MET 11 - HG2 GLN 27 far 0 83 0 - 9.8-23.9 HB VAL 57 - HG2 GLN 27 far 0 60 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 723 from cnoeabs.peaks (2.35, 2.35, 33.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 27 + HG2 GLN 27 OK 100 100 - 100 HG3 GLN 27 + HG3 GLN 27 OK 97 97 - 100 HG2 GLN 127 + HG2 GLN 127 OK 85 85 - 100 Peak 724 from cnoeabs.peaks (2.36, 2.35, 33.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 GLN 27 + HG2 GLN 27 OK 99 99 - 100 HG3 GLN 27 + HG3 GLN 27 OK 98 98 - 100 HG2 GLN 127 + HG2 GLN 127 OK 85 85 - 100 Reference assignment not found: HG3 GLN 27 - HG2 GLN 27 Peak 725 from cnoeabs.peaks (6.85, 2.35, 33.67 ppm; 4.53 A): 2 out of 5 assignments used, quality = 1.00: * HE21 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.5-4.1 3.5=100 HE21 GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.6-4.1 3.5=100 HE21 GLN 68 - HG2 GLN 27 far 0 99 0 - 8.1-18.2 HE21 GLN 68 - HG3 GLN 27 far 0 96 0 - 8.1-19.4 HD21 ASN 121 - HG2 GLN 127 far 0 49 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 726 from cnoeabs.peaks (7.54, 2.35, 33.67 ppm; 4.16 A): 2 out of 11 assignments used, quality = 1.00: * HE22 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.2-3.6 3.5=100 HE22 GLN 27 + HG3 GLN 27 OK 98 98 100 100 2.1-3.6 3.5=100 H THR 54 - HG2 GLN 127 far 4 73 5 - 5.5-9.3 HE22 GLN 61 - HG3 GLN 27 far 0 67 0 - 8.0-25.6 HE22 GLN 61 - HG2 GLN 27 far 0 71 0 - 8.5-26.3 H LEU 119 - HG2 GLN 27 far 0 99 0 - 8.9-26.8 H LEU 119 - HG2 GLN 127 far 0 82 0 - 9.2-12.6 HE22 GLN 61 - HG2 GLN 127 far 0 54 0 - 9.4-16.3 H THR 54 - HG2 GLN 27 far 0 92 0 - 9.4-33.1 H THR 54 - HG3 GLN 27 far 0 88 0 - 9.8-32.1 H LEU 119 - HG3 GLN 27 far 0 96 0 - 9.9-25.7 Violated in 0 structures by 0.00 A. Peak 727 from cnoeabs.peaks (8.33, 2.35, 33.67 ppm; 5.28 A): 2 out of 16 assignments used, quality = 1.00: * H ALA 28 + HG2 GLN 27 OK 100 100 100 100 2.1-4.8 4.9=100 H ALA 28 + HG3 GLN 27 OK 98 98 100 100 2.3-4.9 4.9=100 H LEU 49 - HG2 GLN 127 poor 11 56 20 - 6.4-8.3 H GLU 44 - HG2 GLN 27 far 10 99 10 - 6.3-24.6 H GLU 44 - HG3 GLN 27 far 10 97 10 - 5.4-23.6 H ALA 110 - HG2 GLN 27 far 7 68 10 - 5.4-34.7 H LEU 49 - HG2 GLN 27 far 4 73 5 - 6.1-25.2 H LEU 49 - HG3 GLN 27 far 3 69 5 - 5.2-24.2 H GLY 111 - HG3 GLN 27 far 3 69 5 - 6.7-30.9 H ALA 110 - HG3 GLN 27 far 3 64 5 - 4.4-33.2 H GLY 111 - HG2 GLN 27 far 0 73 0 - 7.1-32.6 H ALA 21 - HG2 GLN 27 far 0 85 0 - 7.2-19.1 H ALA 21 - HG3 GLN 27 far 0 81 0 - 8.0-18.0 H LEU 69 - HG2 GLN 127 far 0 47 0 - 8.9-12.0 H LYS 19 - HG2 GLN 27 far 0 78 0 - 9.4-23.5 H LYS 19 - HG3 GLN 27 far 0 74 0 - 9.5-22.5 Violated in 0 structures by 0.00 A. Peak 728 from cnoeabs.peaks (8.39, 2.36, 33.67 ppm; 3.74 A): 3 out of 12 assignments used, quality = 1.00: * H GLN 27 + HG3 GLN 27 OK 100 100 100 100 1.7-2.9 6271/3.0=76, 6272/3.0=70...(18) H GLN 27 + HG2 GLN 27 OK 98 98 100 100 1.7-4.2 6271/3.0=76, 6272/3.0=70...(18) H LYS 26 + HG3 GLN 27 OK 51 87 80 73 3.7-5.4 4.3/10725=33...(14) H LYS 26 - HG2 GLN 27 poor 14 83 30 57 3.8-7.0 4.6/6274=19...(14) H LYS 24 - HG3 GLN 27 far 4 85 5 - 4.9-11.8 H LYS 24 - HG2 GLN 27 far 4 81 5 - 4.9-12.4 H THR 65 - HG3 GLN 27 far 0 99 0 - 5.9-19.2 H THR 65 - HG2 GLN 27 far 0 96 0 - 6.7-20.0 H ASP 35 - HG3 GLN 27 far 0 100 0 - 7.2-19.7 H ASP 35 - HG2 GLN 27 far 0 98 0 - 8.0-19.2 H HIS 3 - HG2 GLN 127 far 0 80 0 - 8.1-70.0 H MET 11 - HG3 GLN 27 far 0 71 0 - 9.4-30.4 Violated in 0 structures by 0.00 A. Peak 729 from cnoeabs.peaks (4.24, 2.36, 33.67 ppm; 3.57 A): 4 out of 27 assignments used, quality = 1.00: * HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.3-3.7 3.7=89, 696/1.8=38...(15) HA GLN 27 + HG2 GLN 27 OK 98 98 100 99 2.4-3.8 3.7=89, 697/1.8=38...(14) HA SER 124 + HG2 GLN 127 OK 79 84 100 95 2.0-4.5 11672/1.8=53...(14) HA LYS 26 + HG3 GLN 27 OK 20 71 50 57 4.0-6.2 3.6/6274=25...(9) HA LYS 26 - HG2 GLN 27 poor 20 67 30 - 3.9-7.0 HA ALA 28 - HG2 GLN 27 far 5 97 5 - 4.2-6.9 HA ALA 28 - HG3 GLN 27 far 0 99 0 - 5.1-6.7 HA SER 94 - HG2 GLN 27 far 0 93 0 - 5.7-30.3 HA HIS 67 - HG2 GLN 27 far 0 64 0 - 5.9-20.8 HA ALA 29 - HG3 GLN 27 far 0 92 0 - 5.9-8.1 HA GLU 30 - HG3 GLN 27 far 0 87 0 - 6.0-11.8 HA GLU 30 - HG2 GLN 27 far 0 83 0 - 6.1-12.1 HA ALA 29 - HG2 GLN 27 far 0 88 0 - 6.4-9.0 HA SER 99 - HG2 GLN 27 far 0 64 0 - 6.5-28.5 HA SER 94 - HG3 GLN 27 far 0 97 0 - 6.7-28.9 HB3 SER 38 - HG3 GLN 27 far 0 81 0 - 6.8-24.4 HA LEU 22 - HG2 GLN 27 far 0 69 0 - 7.0-16.6 HA LYS 19 - HG3 GLN 27 far 0 76 0 - 7.1-22.3 HA LYS 19 - HG2 GLN 27 far 0 72 0 - 7.2-23.5 HA SER 51 - HG2 GLN 27 far 0 61 0 - 7.4-32.1 HA HIS 67 - HG3 GLN 27 far 0 68 0 - 7.5-19.4 HA SER 51 - HG2 GLN 127 far 0 48 0 - 7.5-9.6 HA LEU 22 - HG3 GLN 27 far 0 73 0 - 7.5-15.4 HA SER 99 - HG3 GLN 27 far 0 68 0 - 7.8-27.1 HA SER 51 - HG3 GLN 27 far 0 65 0 - 7.9-31.1 HB3 SER 38 - HG2 GLN 27 far 0 76 0 - 8.1-23.5 HA ALA 34 - HG3 GLN 27 far 0 85 0 - 9.3-18.5 Violated in 0 structures by 0.00 A. Peak 730 from cnoeabs.peaks (1.96, 2.36, 33.67 ppm; 3.17 A): 2 out of 20 assignments used, quality = 1.00: * HB2 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.2-3.0 3.0=100 HG LEU 53 - HG2 GLN 127 poor 9 44 20 - 3.1-7.1 HB2 GLU 30 - HG3 GLN 27 far 5 98 5 - 4.2-11.3 HB2 GLU 30 - HG2 GLN 27 far 5 95 5 - 4.1-11.4 HB3 LEU 53 - HG2 GLN 127 far 4 44 10 - 4.1-8.0 HB2 PRO 58 - HG3 GLN 27 far 0 90 0 - 7.7-25.2 HB2 PRO 58 - HG2 GLN 27 far 0 86 0 - 8.1-25.7 HB3 LYS 95 - HG2 GLN 27 far 0 67 0 - 8.2-29.2 HB2 LYS 95 - HG2 GLN 27 far 0 59 0 - 8.5-28.9 HG LEU 53 - HG2 GLN 27 far 0 56 0 - 8.5-29.5 HB ILE 37 - HG3 GLN 27 far 0 100 0 - 8.7-20.5 HG LEU 53 - HG3 GLN 27 far 0 60 0 - 9.1-28.3 HB2 LYS 95 - HG2 GLN 127 far 0 46 0 - 9.3-11.6 HB2 GLU 55 - HG2 GLN 27 far 0 64 0 - 9.3-33.3 HB3 LEU 53 - HG2 GLN 27 far 0 56 0 - 9.4-31.4 HB3 LYS 95 - HG2 GLN 127 far 0 53 0 - 9.4-12.2 HB2 GLU 55 - HG3 GLN 27 far 0 68 0 - 9.6-32.5 HB3 LYS 95 - HG3 GLN 27 far 0 71 0 - 9.7-28.0 HB2 LYS 95 - HG3 GLN 27 far 0 63 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 731 from cnoeabs.peaks (2.06, 2.36, 33.67 ppm; 3.16 A): 3 out of 23 assignments used, quality = 1.00: * HB3 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.2-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 83 83 100 100 2.2-3.0 3.0=100 HB3 GLU 44 - HG3 GLN 27 far 4 89 5 - 4.6-24.3 HB3 GLU 44 - HG2 GLN 27 far 0 84 0 - 4.7-24.4 HB2 GLU 128 - HG2 GLN 127 far 0 63 0 - 6.0-7.8 HB2 GLU 102 - HG2 GLN 27 far 0 76 0 - 6.6-30.3 HB2 GLU 102 - HG3 GLN 27 far 0 81 0 - 6.7-28.8 HG3 PRO 58 - HG3 GLN 27 far 0 97 0 - 7.0-25.4 HB3 GLU 40 - HG3 GLN 27 far 0 71 0 - 7.3-27.3 HB VAL 118 - HG2 GLN 27 far 0 98 0 - 7.5-25.4 HB2 LEU 62 - HG3 GLN 27 far 0 100 0 - 7.6-24.2 HB3 GLU 40 - HG2 GLN 27 far 0 67 0 - 7.9-28.0 HB2 LEU 62 - HG2 GLN 27 far 0 98 0 - 8.0-25.1 HG3 PRO 58 - HG2 GLN 27 far 0 93 0 - 8.2-25.9 HB VAL 118 - HG3 GLN 27 far 0 100 0 - 8.6-24.2 QE MET 11 - HG3 GLN 27 far 0 83 0 - 9.0-24.3 HB VAL 57 - HG3 GLN 27 far 0 60 0 - 9.1-26.5 HB2 LEU 62 - HG2 GLN 127 far 0 83 0 - 9.3-13.2 HB2 GLN 127 - HG3 GLN 27 far 0 100 0 - 9.7-27.5 HG3 GLN 134 - HG3 GLN 27 far 0 81 0 - 9.8-28.5 QE MET 11 - HG2 GLN 27 far 0 78 0 - 9.8-23.9 HB VAL 57 - HG2 GLN 27 far 0 56 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 732 from cnoeabs.peaks (2.35, 2.36, 33.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLN 27 + HG3 GLN 27 OK 99 99 - 100 HG2 GLN 27 + HG2 GLN 27 OK 98 98 - 100 HG2 GLN 127 + HG2 GLN 127 OK 84 84 - 100 Reference assignment not found: HG2 GLN 27 - HG3 GLN 27 Peak 733 from cnoeabs.peaks (2.36, 2.36, 33.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 27 + HG3 GLN 27 OK 100 100 - 100 HG2 GLN 27 + HG2 GLN 27 OK 97 97 - 100 HG2 GLN 127 + HG2 GLN 127 OK 83 83 - 100 Peak 734 from cnoeabs.peaks (6.85, 2.36, 33.67 ppm; 4.48 A): 2 out of 5 assignments used, quality = 1.00: * HE21 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.6-4.1 3.5=100 HE21 GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.5-4.1 3.5=100 HE21 GLN 68 - HG2 GLN 27 far 0 96 0 - 8.1-18.2 HE21 GLN 68 - HG3 GLN 27 far 0 99 0 - 8.1-19.4 HD21 ASN 121 - HG2 GLN 127 far 0 48 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 735 from cnoeabs.peaks (7.54, 2.36, 33.67 ppm; 4.16 A): 2 out of 11 assignments used, quality = 1.00: * HE22 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.1-3.6 3.5=100 HE22 GLN 27 + HG2 GLN 27 OK 98 98 100 100 2.2-3.6 3.5=100 H THR 54 - HG2 GLN 127 far 4 72 5 - 5.5-9.3 HE22 GLN 61 - HG3 GLN 27 far 0 71 0 - 8.0-25.6 HE22 GLN 61 - HG2 GLN 27 far 0 67 0 - 8.5-26.3 H LEU 119 - HG2 GLN 27 far 0 96 0 - 8.9-26.8 H LEU 119 - HG2 GLN 127 far 0 81 0 - 9.2-12.6 HE22 GLN 61 - HG2 GLN 127 far 0 53 0 - 9.4-16.3 H THR 54 - HG2 GLN 27 far 0 88 0 - 9.4-33.1 H THR 54 - HG3 GLN 27 far 0 92 0 - 9.8-32.1 H LEU 119 - HG3 GLN 27 far 0 99 0 - 9.9-25.7 Violated in 0 structures by 0.00 A. Peak 736 from cnoeabs.peaks (8.33, 2.36, 33.67 ppm; 5.27 A): 2 out of 16 assignments used, quality = 1.00: * H ALA 28 + HG3 GLN 27 OK 100 100 100 100 2.3-4.9 4.9=100 H ALA 28 + HG2 GLN 27 OK 98 98 100 100 2.1-4.8 4.9=100 H LEU 49 - HG2 GLN 127 poor 11 55 20 - 6.4-8.3 H GLU 44 - HG3 GLN 27 far 10 99 10 - 5.4-23.6 H GLU 44 - HG2 GLN 27 far 10 97 10 - 6.3-24.6 H ALA 110 - HG2 GLN 27 far 6 64 10 - 5.4-34.7 H LEU 49 - HG3 GLN 27 far 4 73 5 - 5.2-24.2 H GLY 111 - HG3 GLN 27 far 4 73 5 - 6.7-30.9 H LEU 49 - HG2 GLN 27 far 3 69 5 - 6.1-25.2 H ALA 110 - HG3 GLN 27 far 3 68 5 - 4.4-33.2 H GLY 111 - HG2 GLN 27 far 0 69 0 - 7.1-32.6 H ALA 21 - HG2 GLN 27 far 0 81 0 - 7.2-19.1 H ALA 21 - HG3 GLN 27 far 0 85 0 - 8.0-18.0 H LEU 69 - HG2 GLN 127 far 0 46 0 - 8.9-12.0 H LYS 19 - HG2 GLN 27 far 0 74 0 - 9.4-23.5 H LYS 19 - HG3 GLN 27 far 0 78 0 - 9.5-22.5 Violated in 0 structures by 0.00 A. Peak 737 from cnoeabs.peaks (8.33, 4.24, 52.47 ppm; 4.51 A): 2 out of 15 assignments used, quality = 1.00: * H ALA 28 + HA ALA 28 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 28 + HA ALA 29 OK 89 93 100 96 3.9-5.5 4.6/6310=28, ~6311=18...(30) H LEU 49 - HA ALA 29 far 6 63 10 - 4.8-18.8 H ALA 21 - HA ALA 28 far 4 85 5 - 5.4-18.1 H LEU 69 - HA ALA 29 far 3 53 5 - 4.9-13.1 H GLU 44 - HA ALA 29 far 0 91 0 - 6.1-19.8 H GLU 44 - HA ALA 28 far 0 99 0 - 6.3-22.5 H LEU 49 - HA ALA 28 far 0 73 0 - 6.3-21.0 H TYR 72 - HA ALA 29 far 0 92 0 - 7.1-15.1 H LYS 19 - HA ALA 28 far 0 78 0 - 7.1-21.4 H ALA 110 - HA ALA 28 far 0 68 0 - 8.5-31.7 H LEU 69 - HA ALA 28 far 0 63 0 - 8.9-15.1 H LYS 19 - HA ALA 29 far 0 68 0 - 9.4-23.0 H GLY 17 - HA ALA 28 far 0 99 0 - 9.7-24.1 H ALA 21 - HA ALA 29 far 0 74 0 - 10.0-19.1 Violated in 0 structures by 0.00 A. Peak 738 from cnoeabs.peaks (4.24, 4.24, 52.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 28 + HA ALA 28 OK 100 100 - 100 HA ALA 29 + HA ALA 29 OK 89 89 - 100 Peak 739 from cnoeabs.peaks (1.38, 4.24, 52.47 ppm; 2.50 A): 3 out of 28 assignments used, quality = 1.00: * QB ALA 28 + HA ALA 28 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 29 + HA ALA 29 OK 92 92 100 100 2.1-2.1 2.1=100 QB ALA 29 + HA ALA 28 OK 40 100 75 53 3.7-4.3 742=18, 6311/3.6=13...(16) QB ALA 108 - HA ALA 28 far 5 100 5 - 3.1-24.1 HG3 LYS 31 - HA ALA 29 far 5 90 5 - 2.7-8.8 QB ALA 28 - HA ALA 29 far 0 93 0 - 4.2-5.1 HG3 LYS 26 - HA ALA 29 far 0 93 0 - 4.4-11.5 HG3 LYS 31 - HA ALA 28 far 0 99 0 - 5.2-11.0 HG3 LYS 26 - HA ALA 28 far 0 100 0 - 5.7-9.0 HG2 LYS 24 - HA ALA 29 far 0 92 0 - 6.0-14.7 QB ALA 110 - HA ALA 28 far 0 100 0 - 6.6-27.6 QB ALA 108 - HA ALA 29 far 0 93 0 - 6.6-21.8 HG2 LYS 36 - HA ALA 29 far 0 92 0 - 6.8-14.4 HG2 LYS 24 - HA ALA 28 far 0 100 0 - 7.0-12.9 QB ALA 15 - HA ALA 28 far 0 100 0 - 7.1-20.7 QB ALA 15 - HA ALA 29 far 0 93 0 - 7.1-21.4 HG2 LYS 19 - HA ALA 28 far 0 85 0 - 7.8-23.6 HG LEU 96 - HA ALA 28 far 0 93 0 - 8.0-21.8 QB ALA 12 - HA ALA 28 far 0 73 0 - 8.0-21.0 QB ALA 109 - HA ALA 28 far 0 100 0 - 8.4-26.4 QB ALA 109 - HA ALA 29 far 0 92 0 - 9.2-23.8 HG3 LYS 95 - HA ALA 28 far 0 100 0 - 9.3-27.3 HG LEU 96 - HA ALA 29 far 0 83 0 - 9.4-18.2 QB ALA 12 - HA ALA 29 far 0 63 0 - 9.5-21.9 QB ALA 16 - HA ALA 29 far 0 70 0 - 9.6-19.4 HB2 LEU 42 - HA ALA 29 far 0 92 0 - 9.6-17.6 HG2 LYS 19 - HA ALA 29 far 0 74 0 - 9.7-24.2 QB ALA 16 - HA ALA 28 far 0 81 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 740 from cnoeabs.peaks (8.25, 4.24, 52.47 ppm; 2.92 A): 5 out of 13 assignments used, quality = 1.00: H ALA 29 + HA ALA 29 OK 93 93 100 100 2.3-2.9 2.9=99, 6311/2.1=32...(16) * H ALA 29 + HA ALA 28 OK 81 100 100 81 2.1-3.5 3.6=55, 6311/2.1=28...(12) H GLU 30 + HA ALA 29 OK 70 83 100 84 2.7-3.1 3.6=55, 6316/2.1=28...(16) H GLU 30 + HA ALA 28 OK 37 93 65 61 3.4-5.1 6316/2.1=24, 6315=12...(12) H LYS 31 + HA ALA 29 OK 21 81 50 52 3.0-4.9 4.7/10819=11, 4.6/6315=9...(12) H ARG 23 - HA ALA 28 far 5 100 5 - 4.3-14.8 H LYS 31 - HA ALA 28 far 0 92 0 - 5.1-6.9 H SER 107 - HA ALA 28 far 0 93 0 - 5.3-26.7 H SER 33 - HA ALA 29 far 0 80 0 - 5.5-8.8 H SER 107 - HA ALA 29 far 0 83 0 - 7.4-24.5 H ARG 23 - HA ALA 29 far 0 92 0 - 7.9-16.5 H LEU 96 - HA ALA 28 far 0 68 0 - 8.0-22.9 H SER 33 - HA ALA 28 far 0 90 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 741 from cnoeabs.peaks (8.33, 1.38, 19.08 ppm; 2.79 A): 4 out of 48 assignments used, quality = 1.00: * H ALA 28 + QB ALA 28 OK 100 100 100 100 2.1-3.0 6304=100, 6303/2.1=31...(15) H ALA 110 + QB ALA 110 OK 62 66 100 94 2.0-3.0 2.9=86, 7572/2.1=18...(14) H GLY 111 + QB ALA 110 OK 54 71 100 76 1.8-3.3 3.7=42, 7577/2.1=24...(11) H ALA 110 + QB ALA 109 OK 28 42 100 66 1.8-3.7 3.7=42, 7570/2.1=14...(11) H GLY 17 - QB ALA 15 poor 19 99 50 39 2.3-6.4 6127/3.7=25, 6130/2.1=7...(6) H GLY 111 - QB ALA 109 poor 17 46 80 47 2.2-5.6 7578=13, 4.5/7571=9...(10) H LEU 49 - QB ALA 29 poor 14 72 20 - 2.6-14.9 H LYS 19 - QB ALA 15 far 8 77 10 - 3.4-10.2 H ALA 28 - QB ALA 29 far 5 100 5 - 4.3-5.3 H ALA 110 - QB ALA 108 lone 4 66 35 16 2.6-6.2 4.7/7564=8, 7571/4.6=5...(4) H LEU 69 - QB ALA 29 far 3 62 5 - 3.3-9.0 H GLY 111 - QB ALA 15 far 0 73 0 - 4.8-44.2 H ALA 21 - QB ALA 28 far 0 85 0 - 4.8-16.8 H ALA 28 - QB ALA 108 far 0 99 0 - 4.8-23.5 H GLU 44 - QB ALA 29 far 0 99 0 - 4.9-16.7 H GLY 111 - QB ALA 108 far 0 71 0 - 5.0-8.8 H GLY 17 - QB ALA 110 far 0 98 0 - 5.3-45.6 H ALA 21 - QB ALA 15 far 0 84 0 - 5.6-11.2 H ALA 21 - QB ALA 108 far 0 82 0 - 5.7-37.8 H TYR 72 - QB ALA 29 far 0 99 0 - 5.9-12.6 H LYS 19 - QB ALA 28 far 0 78 0 - 6.2-19.4 H LYS 19 - QB ALA 110 far 0 76 0 - 6.3-44.9 H LEU 49 - QB ALA 28 far 0 73 0 - 6.3-18.1 H ALA 21 - QB ALA 110 far 0 83 0 - 6.5-42.0 H LYS 19 - QB ALA 109 far 0 50 0 - 6.6-42.2 H GLY 17 - QB ALA 28 far 0 99 0 - 6.7-21.7 H GLY 17 - QB ALA 109 far 0 70 0 - 6.8-42.7 H LEU 69 - QB ALA 108 far 0 60 0 - 6.8-15.4 H ALA 21 - QB ALA 109 far 0 55 0 - 6.9-39.2 H GLU 44 - QB ALA 28 far 0 99 0 - 7.0-19.4 H ALA 110 - QB ALA 15 far 0 67 0 - 7.0-45.9 H ALA 28 - QB ALA 110 far 0 99 0 - 7.0-27.3 H ALA 110 - QB ALA 28 far 0 68 0 - 7.2-26.1 H GLU 44 - QB ALA 15 far 0 99 0 - 7.5-30.5 H ALA 28 - QB ALA 109 far 0 73 0 - 7.9-25.5 H ALA 21 - QB ALA 29 far 0 84 0 - 7.9-17.3 H ALA 28 - QB ALA 15 far 0 100 0 - 8.0-20.8 H LEU 69 - QB ALA 28 far 0 63 0 - 8.2-14.0 H LYS 19 - QB ALA 29 far 0 77 0 - 8.3-20.5 H LYS 19 - QB ALA 108 far 0 76 0 - 8.4-40.9 H GLY 111 - QB ALA 28 far 0 73 0 - 8.6-26.2 H GLY 17 - QB ALA 108 far 0 97 0 - 9.0-40.9 H TYR 72 - QB ALA 108 far 0 98 0 - 9.0-17.4 H LEU 49 - QB ALA 108 far 0 71 0 - 9.4-18.2 H ALA 110 - QB ALA 29 far 0 67 0 - 9.4-24.0 H LEU 69 - QB ALA 109 far 0 38 0 - 9.5-17.9 H GLY 17 - QB ALA 29 far 0 98 0 - 9.5-21.0 H GLY 111 - QB ALA 29 far 0 72 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 742 from cnoeabs.peaks (4.24, 1.38, 19.08 ppm; 2.50 A): 3 out of 50 assignments used, quality = 1.00: * HA ALA 28 + QB ALA 28 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 29 + QB ALA 29 OK 97 97 100 100 2.1-2.1 2.1=100 HA ALA 28 + QB ALA 29 OK 40 100 75 54 3.7-4.3 739=19, 3.6/6311=13...(16) HA GLN 27 - QB ALA 28 far 10 99 10 - 3.8-5.0 HA ALA 28 - QB ALA 108 far 5 99 5 - 3.1-24.1 HA GLU 30 - QB ALA 15 far 5 95 5 - 3.7-23.5 HA HIS 67 - QB ALA 29 far 4 82 5 - 3.7-10.8 HA SER 99 - QB ALA 110 far 4 81 5 - 3.3-17.8 HA LYS 19 - QB ALA 15 far 3 59 5 - 3.6-11.2 HA SER 99 - QB ALA 108 lone 0 80 30 0 3.1-14.1 HA HIS 67 - QB ALA 108 far 0 80 0 - 4.0-12.8 HA GLU 30 - QB ALA 29 far 0 95 0 - 4.1-4.3 HA GLN 27 - QB ALA 29 far 0 99 0 - 4.1-7.7 HA ALA 29 - QB ALA 28 far 0 98 0 - 4.2-5.1 HA GLU 30 - QB ALA 28 far 0 96 0 - 4.3-5.5 HA GLN 27 - QB ALA 108 far 0 98 0 - 4.4-26.4 HA GLN 27 - QB ALA 110 far 0 98 0 - 4.7-30.1 HA SER 94 - QB ALA 28 far 0 100 0 - 5.1-23.0 HA SER 99 - QB ALA 109 far 0 53 0 - 5.2-15.1 HA SER 51 - QB ALA 15 far 0 80 0 - 5.3-32.9 HA LYS 19 - QB ALA 28 far 0 60 0 - 5.3-19.3 HA GLU 30 - QB ALA 108 far 0 93 0 - 5.9-22.9 HA SER 94 - QB ALA 29 far 0 99 0 - 6.0-18.2 HA ALA 34 - QB ALA 29 far 0 94 0 - 6.4-10.8 HA HIS 67 - QB ALA 109 far 0 53 0 - 6.4-15.8 HA GLU 30 - QB ALA 109 far 0 65 0 - 6.6-23.9 HA ALA 28 - QB ALA 110 far 0 99 0 - 6.6-27.6 HA ALA 29 - QB ALA 108 far 0 96 0 - 6.6-21.8 HA LYS 19 - QB ALA 110 far 0 58 0 - 6.8-43.3 HA GLN 27 - QB ALA 109 far 0 71 0 - 6.9-28.3 HA ALA 28 - QB ALA 15 far 0 100 0 - 7.1-20.7 HA ALA 29 - QB ALA 15 far 0 98 0 - 7.1-21.4 HB3 SER 38 - QB ALA 15 far 0 91 0 - 7.4-30.5 HA HIS 67 - QB ALA 28 far 0 83 0 - 7.6-15.0 HA LYS 19 - QB ALA 109 far 0 37 0 - 7.8-40.6 HA SER 51 - QB ALA 29 far 0 80 0 - 8.0-20.2 HA LYS 19 - QB ALA 29 far 0 59 0 - 8.0-19.1 HA ALA 34 - QB ALA 15 far 0 94 0 - 8.3-27.1 HA ALA 28 - QB ALA 109 far 0 73 0 - 8.4-26.4 HA SER 94 - QB ALA 108 far 0 98 0 - 8.5-19.6 HA LYS 19 - QB ALA 108 far 0 58 0 - 8.5-39.5 HA GLU 30 - QB ALA 110 far 0 94 0 - 9.0-25.3 HA ALA 29 - QB ALA 109 far 0 69 0 - 9.2-23.8 HA GLN 27 - QB ALA 15 far 0 99 0 - 9.4-19.7 HA SER 51 - QB ALA 28 far 0 81 0 - 9.5-23.6 HA SER 124 - QB ALA 110 far 0 99 0 - 9.6-21.0 HB3 SER 38 - QB ALA 29 far 0 91 0 - 9.7-15.9 HA HIS 67 - QB ALA 15 far 0 82 0 - 9.8-30.9 HA SER 99 - QB ALA 29 far 0 82 0 - 9.9-17.9 HA SER 99 - QB ALA 15 far 0 82 0 - 10.0-38.6 Violated in 0 structures by 0.00 A. Peak 743 from cnoeabs.peaks (1.38, 1.38, 19.08 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * QB ALA 28 + QB ALA 28 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 100 100 - 100 QB ALA 29 + QB ALA 29 OK 100 100 - 100 QB ALA 110 + QB ALA 110 OK 99 99 - 100 QB ALA 108 + QB ALA 108 OK 99 99 - 100 QB ALA 109 + QB ALA 109 OK 72 72 - 100 Peak 744 from cnoeabs.peaks (8.25, 1.38, 19.08 ppm; 3.09 A): 6 out of 40 assignments used, quality = 1.00: H ALA 29 + QB ALA 29 OK 100 100 100 100 2.2-3.0 2.9=100 * H ALA 29 + QB ALA 28 OK 92 100 100 92 2.6-3.7 3.7=58, 4.6/6304=28...(22) H GLU 30 + QB ALA 29 OK 82 92 100 89 3.5-3.7 3.7=59, 6315/2.1=25...(15) H GLU 30 + QB ALA 28 OK 78 93 100 84 2.4-3.9 6316=39, 6321/10792=23...(11) H SER 107 + QB ALA 108 OK 37 91 50 81 3.4-5.1 7554/2.9=43, 10101=23...(10) H LYS 31 + QB ALA 28 OK 35 92 60 64 3.1-5.7 4.9/10792=15, 6334=14...(11) H ARG 23 - QB ALA 28 poor 20 100 20 - 2.6-14.1 H SER 107 - QB ALA 28 far 9 93 10 - 3.7-22.5 H LYS 31 - QB ALA 15 far 9 91 10 - 3.9-21.1 H ALA 29 - QB ALA 108 far 5 99 5 - 4.4-23.0 H ARG 23 - QB ALA 108 far 5 99 5 - 3.9-34.2 H LYS 31 - QB ALA 29 far 5 91 5 - 4.0-5.6 H SER 33 - QB ALA 29 far 4 89 5 - 4.5-7.7 H ARG 23 - QB ALA 109 far 4 72 5 - 4.1-35.7 H SER 107 - QB ALA 29 far 0 92 0 - 4.6-19.4 H SER 107 - QB ALA 109 far 0 63 0 - 4.7-7.7 H SER 107 - QB ALA 110 far 0 91 0 - 4.8-10.4 H GLU 30 - QB ALA 15 far 0 93 0 - 5.2-21.5 H ARG 23 - QB ALA 110 far 0 99 0 - 5.3-38.5 H SER 33 - QB ALA 15 far 0 90 0 - 5.7-23.5 H GLU 30 - QB ALA 108 far 0 91 0 - 5.9-22.6 H LEU 123 - QB ALA 110 far 0 95 0 - 6.4-17.1 H ARG 23 - QB ALA 15 far 0 100 0 - 6.4-15.5 H SER 107 - QB ALA 15 far 0 93 0 - 7.0-40.5 H ARG 23 - QB ALA 29 far 0 100 0 - 7.3-14.2 H ALA 29 - QB ALA 15 far 0 100 0 - 7.6-21.3 H LEU 96 - QB ALA 29 far 0 67 0 - 7.6-17.2 H LEU 96 - QB ALA 108 far 0 66 0 - 7.8-18.4 H LYS 31 - QB ALA 108 far 0 89 0 - 7.9-24.2 H SER 33 - QB ALA 28 far 0 90 0 - 8.0-10.5 H LEU 96 - QB ALA 110 far 0 66 0 - 8.3-21.3 H LEU 123 - QB ALA 108 far 0 94 0 - 8.4-15.9 H LEU 96 - QB ALA 28 far 0 68 0 - 8.4-19.5 H ALA 29 - QB ALA 110 far 0 99 0 - 8.5-27.5 H GLU 30 - QB ALA 109 far 0 63 0 - 8.9-23.5 H LEU 123 - QB ALA 109 far 0 67 0 - 9.2-14.8 H ALA 29 - QB ALA 109 far 0 73 0 - 9.3-25.2 H LEU 123 - QB ALA 29 far 0 96 0 - 9.3-17.4 H LYS 31 - QB ALA 109 far 0 61 0 - 9.4-25.3 H GLU 30 - QB ALA 110 far 0 91 0 - 9.7-26.1 Violated in 0 structures by 0.00 A. Peak 745 from cnoeabs.peaks (8.25, 4.23, 52.53 ppm; 2.94 A): 5 out of 13 assignments used, quality = 1.00: * H ALA 29 + HA ALA 29 OK 100 100 100 100 2.3-2.9 2.9=100 H GLU 30 + HA ALA 29 OK 80 93 100 86 2.7-3.1 3.6=56, 6316/2.1=28...(16) H ALA 29 + HA ALA 28 OK 76 93 100 82 2.1-3.5 3.6=56, 6311/2.1=29...(12) H GLU 30 + HA ALA 28 OK 34 83 65 63 3.4-5.1 6316/2.1=24, 6315=12...(11) H LYS 31 + HA ALA 29 OK 25 92 50 55 3.0-4.9 4.7/10819=12, 4.6/6315=9...(12) H ARG 23 - HA ALA 28 far 5 92 5 - 4.3-14.8 H LYS 31 - HA ALA 28 far 0 81 0 - 5.1-6.9 H SER 107 - HA ALA 28 far 0 83 0 - 5.3-26.7 H SER 33 - HA ALA 29 far 0 90 0 - 5.5-8.8 H SER 107 - HA ALA 29 far 0 93 0 - 7.4-24.5 H ARG 23 - HA ALA 29 far 0 100 0 - 7.9-16.5 H LEU 96 - HA ALA 28 far 0 58 0 - 8.0-22.9 H SER 33 - HA ALA 28 far 0 80 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 746 from cnoeabs.peaks (4.23, 4.23, 52.53 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 29 + HA ALA 29 OK 100 100 - 100 HA ALA 28 + HA ALA 28 OK 89 89 - 100 Peak 747 from cnoeabs.peaks (1.38, 4.23, 52.53 ppm; 2.50 A): 3 out of 28 assignments used, quality = 1.00: * QB ALA 29 + HA ALA 29 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 28 + HA ALA 28 OK 92 92 100 100 2.1-2.1 2.1=100 QB ALA 29 + HA ALA 28 OK 37 93 75 53 3.7-4.3 742=17, 6311/3.6=13...(16) HG3 LYS 31 - HA ALA 29 far 5 97 5 - 2.7-8.8 QB ALA 108 - HA ALA 28 far 5 92 5 - 3.1-24.1 QB ALA 28 - HA ALA 29 far 0 100 0 - 4.2-5.1 HG3 LYS 26 - HA ALA 29 far 0 100 0 - 4.4-11.5 HG3 LYS 31 - HA ALA 28 far 0 88 0 - 5.2-11.0 HG3 LYS 26 - HA ALA 28 far 0 93 0 - 5.7-9.0 HG2 LYS 24 - HA ALA 29 far 0 100 0 - 6.0-14.7 QB ALA 110 - HA ALA 28 far 0 93 0 - 6.6-27.6 QB ALA 108 - HA ALA 29 far 0 100 0 - 6.6-21.8 HG2 LYS 36 - HA ALA 29 far 0 100 0 - 6.8-14.4 HG2 LYS 24 - HA ALA 28 far 0 93 0 - 7.0-12.9 QB ALA 15 - HA ALA 28 far 0 93 0 - 7.1-20.7 QB ALA 15 - HA ALA 29 far 0 100 0 - 7.1-21.4 HG2 LYS 19 - HA ALA 28 far 0 80 0 - 7.8-23.6 HG LEU 96 - HA ALA 28 far 0 78 0 - 8.0-21.8 QB ALA 12 - HA ALA 28 far 0 70 0 - 8.0-21.0 QB ALA 109 - HA ALA 28 far 0 90 0 - 8.4-26.4 QB ALA 109 - HA ALA 29 far 0 99 0 - 9.2-23.8 HG3 LYS 95 - HA ALA 28 far 0 92 0 - 9.3-27.3 HG LEU 96 - HA ALA 29 far 0 89 0 - 9.4-18.2 QB ALA 12 - HA ALA 29 far 0 81 0 - 9.5-21.9 QB ALA 16 - HA ALA 29 far 0 73 0 - 9.6-19.4 HB2 LEU 42 - HA ALA 29 far 0 100 0 - 9.6-17.6 HG2 LYS 19 - HA ALA 29 far 0 90 0 - 9.7-24.2 QB ALA 16 - HA ALA 28 far 0 63 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 748 from cnoeabs.peaks (8.26, 4.23, 52.53 ppm; 3.13 A): 5 out of 14 assignments used, quality = 1.00: H ALA 29 + HA ALA 29 OK 93 93 100 100 2.3-2.9 2.9=100 * H GLU 30 + HA ALA 29 OK 93 100 100 93 2.7-3.1 3.6=67, 6316/2.1=35...(18) H ALA 29 + HA ALA 28 OK 72 83 100 87 2.1-3.5 3.6=67, 6311/2.1=28...(12) H GLU 30 + HA ALA 28 OK 52 93 80 70 3.4-5.1 6316/2.1=30, 6315=14...(12) H LYS 31 + HA ALA 29 OK 29 60 85 57 3.0-4.9 4.0/10782=14...(12) H ARG 23 - HA ALA 28 far 4 78 5 - 4.3-14.8 H LYS 31 - HA ALA 28 far 0 51 0 - 5.1-6.9 H SER 107 - HA ALA 28 far 0 53 0 - 5.3-26.7 H SER 107 - HA ALA 29 far 0 63 0 - 7.4-24.5 H ARG 23 - HA ALA 29 far 0 89 0 - 7.9-16.5 H LEU 96 - HA ALA 28 far 0 86 0 - 8.0-22.9 H LEU 43 - HA ALA 29 far 0 71 0 - 8.3-18.9 H LEU 43 - HA ALA 28 far 0 61 0 - 8.7-22.8 H SER 99 - HA ALA 28 far 0 51 0 - 9.7-24.0 Violated in 0 structures by 0.00 A. Peak 749 from cnoeabs.peaks (8.25, 1.38, 19.08 ppm; 3.09 A): 6 out of 40 assignments used, quality = 1.00: * H ALA 29 + QB ALA 29 OK 100 100 100 100 2.2-3.0 2.9=100 H ALA 29 + QB ALA 28 OK 92 100 100 92 2.6-3.7 3.7=58, 4.6/6304=28...(22) H GLU 30 + QB ALA 29 OK 83 93 100 89 3.5-3.7 3.7=59, 6315/2.1=25...(15) H GLU 30 + QB ALA 28 OK 77 92 100 84 2.4-3.9 6316=39, 6321/10792=23...(11) H SER 107 + QB ALA 108 OK 36 89 50 80 3.4-5.1 7554/2.9=43, 10101=22...(10) H LYS 31 + QB ALA 28 OK 35 91 60 63 3.1-5.7 4.9/10792=15, 6334=13...(11) H ARG 23 - QB ALA 28 poor 20 100 20 - 2.6-14.1 H SER 107 - QB ALA 28 far 9 92 10 - 3.7-22.5 H LYS 31 - QB ALA 15 far 9 91 10 - 3.9-21.1 H ALA 29 - QB ALA 108 far 5 98 5 - 4.4-23.0 H ARG 23 - QB ALA 108 far 5 98 5 - 3.9-34.2 H LYS 31 - QB ALA 29 far 5 92 5 - 4.0-5.6 H SER 33 - QB ALA 29 far 5 90 5 - 4.5-7.7 H ARG 23 - QB ALA 109 far 3 68 5 - 4.1-35.7 H SER 107 - QB ALA 29 far 0 93 0 - 4.6-19.4 H SER 107 - QB ALA 109 far 0 59 0 - 4.7-7.7 H SER 107 - QB ALA 110 far 0 91 0 - 4.8-10.4 H GLU 30 - QB ALA 15 far 0 92 0 - 5.2-21.5 H ARG 23 - QB ALA 110 far 0 99 0 - 5.3-38.5 H SER 33 - QB ALA 15 far 0 89 0 - 5.7-23.5 H GLU 30 - QB ALA 108 far 0 89 0 - 5.9-22.6 H LEU 123 - QB ALA 110 far 0 95 0 - 6.4-17.1 H ARG 23 - QB ALA 15 far 0 100 0 - 6.4-15.5 H SER 107 - QB ALA 15 far 0 92 0 - 7.0-40.5 H ARG 23 - QB ALA 29 far 0 100 0 - 7.3-14.2 H ALA 29 - QB ALA 15 far 0 100 0 - 7.6-21.3 H LEU 96 - QB ALA 29 far 0 68 0 - 7.6-17.2 H LEU 96 - QB ALA 108 far 0 64 0 - 7.8-18.4 H LYS 31 - QB ALA 108 far 0 88 0 - 7.9-24.2 H SER 33 - QB ALA 28 far 0 89 0 - 8.0-10.5 H LEU 96 - QB ALA 110 far 0 66 0 - 8.3-21.3 H LEU 123 - QB ALA 108 far 0 93 0 - 8.4-15.9 H LEU 96 - QB ALA 28 far 0 67 0 - 8.4-19.5 H ALA 29 - QB ALA 110 far 0 99 0 - 8.5-27.5 H GLU 30 - QB ALA 109 far 0 59 0 - 8.9-23.5 H LEU 123 - QB ALA 109 far 0 62 0 - 9.2-14.8 H ALA 29 - QB ALA 109 far 0 68 0 - 9.3-25.2 H LEU 123 - QB ALA 29 far 0 97 0 - 9.3-17.4 H LYS 31 - QB ALA 109 far 0 57 0 - 9.4-25.3 H GLU 30 - QB ALA 110 far 0 91 0 - 9.7-26.1 Violated in 0 structures by 0.00 A. Peak 750 from cnoeabs.peaks (4.23, 1.38, 19.08 ppm; 2.50 A): 3 out of 50 assignments used, quality = 1.00: * HA ALA 29 + QB ALA 29 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 28 + QB ALA 28 OK 97 97 100 100 2.1-2.1 2.1=100 HA ALA 28 + QB ALA 29 OK 40 98 75 54 3.7-4.3 739=18, 3.6/6311=13...(16) HB THR 25 - QB ALA 28 far 10 64 15 - 2.0-7.9 HA GLN 27 - QB ALA 28 far 9 91 10 - 3.8-5.0 HA GLU 30 - QB ALA 15 far 5 100 5 - 3.7-23.5 HA HIS 67 - QB ALA 29 far 5 97 5 - 3.7-10.8 HA ALA 28 - QB ALA 108 far 5 95 5 - 3.1-24.1 HA SER 99 - QB ALA 110 far 5 95 5 - 3.3-17.8 HB THR 25 - QB ALA 29 far 3 65 5 - 3.2-11.4 HA SER 99 - QB ALA 108 lone 0 93 30 0 3.1-14.1 HA HIS 67 - QB ALA 108 far 0 93 0 - 4.0-12.8 HA GLU 30 - QB ALA 29 far 0 100 0 - 4.1-4.3 HA GLN 27 - QB ALA 29 far 0 92 0 - 4.1-7.7 HA ALA 29 - QB ALA 28 far 0 100 0 - 4.2-5.1 HA GLU 30 - QB ALA 28 far 0 100 0 - 4.3-5.5 HA GLN 27 - QB ALA 108 far 0 88 0 - 4.4-26.4 HA GLN 27 - QB ALA 110 far 0 90 0 - 4.7-30.1 HA SER 94 - QB ALA 28 far 0 99 0 - 5.1-23.0 HA SER 99 - QB ALA 109 far 0 62 0 - 5.2-15.1 HA SER 51 - QB ALA 15 far 0 95 0 - 5.3-32.9 HB THR 25 - QB ALA 108 far 0 61 0 - 5.3-26.8 HA GLU 30 - QB ALA 108 far 0 98 0 - 5.9-22.9 HA SER 94 - QB ALA 29 far 0 100 0 - 6.0-18.2 HB THR 25 - QB ALA 109 far 0 37 0 - 6.1-28.0 HB THR 25 - QB ALA 110 far 0 63 0 - 6.1-31.1 HA ALA 34 - QB ALA 29 far 0 100 0 - 6.4-10.8 HA HIS 67 - QB ALA 109 far 0 62 0 - 6.4-15.8 HA GLU 30 - QB ALA 109 far 0 68 0 - 6.6-23.9 HA ALA 28 - QB ALA 110 far 0 96 0 - 6.6-27.6 HA ALA 29 - QB ALA 108 far 0 98 0 - 6.6-21.8 HA GLN 27 - QB ALA 109 far 0 57 0 - 6.9-28.3 HA ALA 28 - QB ALA 15 far 0 97 0 - 7.1-20.7 HA ALA 29 - QB ALA 15 far 0 100 0 - 7.1-21.4 HB THR 25 - QB ALA 15 far 0 64 0 - 7.3-19.4 HB3 SER 38 - QB ALA 15 far 0 99 0 - 7.4-30.5 HA HIS 67 - QB ALA 28 far 0 96 0 - 7.6-15.0 HA SER 51 - QB ALA 29 far 0 96 0 - 8.0-20.2 HA ALA 34 - QB ALA 15 far 0 99 0 - 8.3-27.1 HA ALA 28 - QB ALA 109 far 0 64 0 - 8.4-26.4 HA SER 94 - QB ALA 108 far 0 97 0 - 8.5-19.6 HA GLU 30 - QB ALA 110 far 0 99 0 - 9.0-25.3 HA ALA 29 - QB ALA 109 far 0 68 0 - 9.2-23.8 HA GLN 27 - QB ALA 15 far 0 91 0 - 9.4-19.7 HA SER 51 - QB ALA 28 far 0 95 0 - 9.5-23.6 HA SER 124 - QB ALA 110 far 0 93 0 - 9.6-21.0 HB3 SER 38 - QB ALA 29 far 0 99 0 - 9.7-15.9 HA HIS 67 - QB ALA 15 far 0 96 0 - 9.8-30.9 HA SER 99 - QB ALA 29 far 0 97 0 - 9.9-17.9 HA SER 99 - QB ALA 15 far 0 96 0 - 10.0-38.6 Violated in 0 structures by 0.00 A. Peak 751 from cnoeabs.peaks (1.38, 1.38, 19.08 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * QB ALA 29 + QB ALA 29 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 100 100 - 100 QB ALA 28 + QB ALA 28 OK 100 100 - 100 QB ALA 110 + QB ALA 110 OK 99 99 - 100 QB ALA 108 + QB ALA 108 OK 97 97 - 100 QB ALA 109 + QB ALA 109 OK 65 65 - 100 Peak 752 from cnoeabs.peaks (8.26, 1.38, 19.08 ppm; 3.15 A): 6 out of 48 assignments used, quality = 1.00: H ALA 29 + QB ALA 29 OK 93 93 100 100 2.2-3.0 2.9=100 * H GLU 30 + QB ALA 29 OK 91 100 100 91 3.5-3.7 3.7=62, 6315/2.1=29...(15) H GLU 30 + QB ALA 28 OK 87 100 100 87 2.4-3.9 6316=44, 6321/10792=27...(12) H ALA 29 + QB ALA 28 OK 86 92 100 93 2.6-3.7 3.7=61, 4.6/6304=30...(22) H SER 107 + QB ALA 108 OK 26 59 60 73 3.4-5.1 4.3/7559=31...(9) H LYS 31 + QB ALA 28 OK 23 59 65 61 3.1-5.7 4.9/10792=16...(10) H ARG 23 - QB ALA 28 poor 18 88 20 - 2.6-14.1 H LYS 31 - QB ALA 15 far 9 59 15 - 3.9-21.1 H SER 107 - QB ALA 28 far 6 62 10 - 3.7-22.5 H LYS 31 - QB ALA 29 far 6 60 10 - 4.0-5.6 H ALA 29 - QB ALA 108 far 4 89 5 - 4.4-23.0 H ARG 23 - QB ALA 108 far 4 84 5 - 3.9-34.2 H SER 107 - QB ALA 29 far 3 63 5 - 4.6-19.4 H SER 99 - QB ALA 108 far 3 56 5 - 4.0-15.3 H ARG 23 - QB ALA 109 far 3 54 5 - 4.1-35.7 H SER 107 - QB ALA 109 far 0 36 0 - 4.7-7.7 H SER 107 - QB ALA 110 far 0 60 0 - 4.8-10.4 H SER 99 - QB ALA 110 far 0 58 0 - 4.8-19.5 H GLU 30 - QB ALA 15 far 0 100 0 - 5.2-21.5 H ARG 23 - QB ALA 110 far 0 86 0 - 5.3-38.5 H GLU 30 - QB ALA 108 far 0 98 0 - 5.9-22.6 H LEU 123 - QB ALA 110 far 0 99 0 - 6.4-17.1 H ARG 23 - QB ALA 15 far 0 88 0 - 6.4-15.5 H LEU 43 - QB ALA 29 far 0 71 0 - 6.9-16.5 H SER 107 - QB ALA 15 far 0 62 0 - 7.0-40.5 H ARG 23 - QB ALA 29 far 0 89 0 - 7.3-14.2 H SER 99 - QB ALA 109 far 0 34 0 - 7.4-16.4 H ALA 29 - QB ALA 15 far 0 92 0 - 7.6-21.3 H LEU 96 - QB ALA 29 far 0 96 0 - 7.6-17.2 H LEU 96 - QB ALA 108 far 0 92 0 - 7.8-18.4 H LYS 31 - QB ALA 108 far 0 56 0 - 7.9-24.2 H SER 99 - QB ALA 29 far 0 60 0 - 8.2-16.9 H LEU 96 - QB ALA 110 far 0 93 0 - 8.3-21.3 H GLU 40 - QB ALA 15 far 0 86 0 - 8.3-33.4 H LEU 123 - QB ALA 108 far 0 98 0 - 8.4-15.9 H LEU 96 - QB ALA 28 far 0 95 0 - 8.4-19.5 H ALA 29 - QB ALA 110 far 0 91 0 - 8.5-27.5 H VAL 126 - QB ALA 110 far 0 60 0 - 8.7-19.9 H GLU 30 - QB ALA 109 far 0 68 0 - 8.9-23.5 H LEU 43 - QB ALA 15 far 0 70 0 - 9.0-31.4 H LEU 43 - QB ALA 28 far 0 70 0 - 9.0-19.0 H LEU 123 - QB ALA 109 far 0 68 0 - 9.2-14.8 H ALA 29 - QB ALA 109 far 0 59 0 - 9.3-25.2 H LEU 123 - QB ALA 29 far 0 100 0 - 9.3-17.4 H LYS 31 - QB ALA 109 far 0 34 0 - 9.4-25.3 H GLU 40 - QB ALA 29 far 0 87 0 - 9.5-17.6 H SER 99 - QB ALA 28 far 0 59 0 - 9.5-19.9 H GLU 30 - QB ALA 110 far 0 99 0 - 9.7-26.1 Violated in 0 structures by 0.00 A. Peak 753 from cnoeabs.peaks (8.26, 4.22, 56.42 ppm; 3.58 A): 3 out of 12 assignments used, quality = 1.00: * H GLU 30 + HA GLU 30 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 31 + HA GLU 30 OK 60 60 100 100 3.3-3.6 3.6=100 H ALA 29 + HA GLU 30 OK 33 93 40 89 4.7-5.5 2.9/10740=22...(25) H ALA 29 - HA GLN 27 poor 17 34 50 - 3.1-7.0 H GLU 30 - HA GLN 27 far 4 41 10 - 4.6-7.8 H SER 107 - HA GLN 27 far 1 20 5 - 4.6-29.5 H SER 107 - HA GLU 30 far 0 63 0 - 5.8-24.2 H LEU 43 - HA GLN 27 far 0 23 0 - 7.0-22.9 H ARG 23 - HA GLN 27 far 0 32 0 - 7.4-13.2 H ARG 23 - HA GLU 30 far 0 89 0 - 8.7-17.8 H GLU 40 - HA GLN 27 far 0 31 0 - 9.3-25.5 H LEU 96 - HA GLN 27 far 0 36 0 - 9.5-26.0 Violated in 0 structures by 0.00 A. Peak 754 from cnoeabs.peaks (4.22, 4.22, 56.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 30 + HA GLU 30 OK 100 100 - 100 HA GLN 27 + HA GLN 27 OK 31 31 - 100 Peak 755 from cnoeabs.peaks (1.96, 4.22, 56.42 ppm; 3.61 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLU 30 + HA GLU 30 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 27 + HA GLN 27 OK 38 38 100 100 2.4-3.0 3.0=100 HB2 PRO 58 - HA GLU 30 far 0 99 0 - 5.6-25.0 HB2 GLN 27 - HA GLU 30 far 0 98 0 - 5.7-9.9 HB2 GLU 30 - HA GLN 27 far 0 41 0 - 6.5-9.5 HG LEU 53 - HA GLN 27 far 0 29 0 - 7.2-28.1 HB2 PRO 58 - HA GLN 27 far 0 39 0 - 7.4-23.1 HB3 ARG 90 - HA GLU 30 far 0 100 0 - 8.0-27.6 HB ILE 37 - HA GLN 27 far 0 36 0 - 9.8-18.9 HG LEU 53 - HA GLU 30 far 0 83 0 - 9.8-26.4 Violated in 0 structures by 0.00 A. Peak 756 from cnoeabs.peaks (2.02, 4.22, 56.42 ppm; 3.46 A): 1 out of 15 assignments used, quality = 1.00: * HB3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 PRO 58 - HA GLU 30 far 5 99 5 - 4.6-26.4 HB VAL 63 - HA GLN 27 far 4 41 10 - 3.6-20.3 HB2 GLU 44 - HA GLN 27 far 2 40 5 - 4.1-23.5 HB VAL 20 - HA GLU 30 far 0 87 0 - 5.8-21.7 HB VAL 63 - HA GLU 30 far 0 100 0 - 6.5-18.3 HB3 GLU 30 - HA GLN 27 far 0 41 0 - 7.7-10.9 QE MET 11 - HA GLU 30 far 0 81 0 - 7.9-28.7 HB2 GLU 44 - HA GLU 30 far 0 100 0 - 8.2-21.8 HB VAL 20 - HA GLN 27 far 0 31 0 - 8.2-16.4 HB3 LEU 53 - HA GLN 27 far 0 22 0 - 8.4-29.4 HB3 MET 11 - HA GLU 30 far 0 100 0 - 8.5-33.7 HG2 PRO 58 - HA GLN 27 far 0 39 0 - 8.8-24.6 QE MET 11 - HA GLN 27 far 0 28 0 - 9.0-24.0 HB3 GLU 40 - HA GLN 27 far 0 33 0 - 9.4-26.9 Violated in 0 structures by 0.00 A. Peak 757 from cnoeabs.peaks (2.29, 4.22, 56.42 ppm; 3.99 A): 1 out of 11 assignments used, quality = 1.00: * HG2 GLU 30 + HA GLU 30 OK 100 100 100 100 2.7-3.8 3.8=100 HG2 GLN 61 - HA GLU 30 far 5 99 5 - 5.0-21.7 HG2 GLU 97 - HA GLN 27 far 2 33 5 - 4.4-25.8 HB3 GLN 101 - HA GLN 27 far 0 35 0 - 5.7-25.3 HG2 GLU 30 - HA GLN 27 far 0 41 0 - 5.8-10.0 HG2 GLU 97 - HA GLU 30 far 0 90 0 - 6.8-22.8 HB VAL 105 - HA GLN 27 far 0 27 0 - 7.1-30.3 HG2 GLU 40 - HA GLN 27 far 0 21 0 - 7.2-25.3 HB3 GLN 101 - HA GLU 30 far 0 95 0 - 7.5-21.4 HB VAL 105 - HA GLU 30 far 0 78 0 - 7.9-24.8 HG2 GLN 61 - HA GLN 27 far 0 40 0 - 8.9-21.7 Violated in 0 structures by 0.00 A. Peak 758 from cnoeabs.peaks (2.33, 4.22, 56.42 ppm; 4.95 A): 3 out of 13 assignments used, quality = 1.00: * HG3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.3-3.8 3.8=100 HG2 GLN 27 + HA GLN 27 OK 28 28 100 100 2.4-3.8 3.7=100 HG3 GLN 27 + HA GLN 27 OK 21 21 100 100 2.3-3.7 3.7=100 HG3 GLU 30 - HA GLN 27 poor 10 41 25 - 4.8-8.9 HG3 GLN 68 - HA GLU 30 poor 8 99 35 24 2.0-14.8 11018/10814=15...(3) HG2 GLN 27 - HA GLU 30 far 4 81 5 - 6.1-12.1 HG2 GLU 44 - HA GLN 27 far 4 40 10 - 4.4-25.6 HG3 GLN 27 - HA GLU 30 far 3 65 5 - 6.0-11.8 HG2 GLU 102 - HA GLN 27 far 1 21 5 - 5.2-30.4 HB VAL 77 - HA GLU 30 far 0 100 0 - 6.9-25.5 HG3 GLN 68 - HA GLN 27 far 0 39 0 - 7.0-16.7 HG2 GLU 40 - HA GLN 27 far 0 32 0 - 7.2-25.3 HG2 GLU 44 - HA GLU 30 far 0 99 0 - 8.4-23.9 Violated in 0 structures by 0.00 A. Peak 759 from cnoeabs.peaks (8.23, 4.22, 56.42 ppm; 2.88 A): 2 out of 11 assignments used, quality = 0.95: * H LYS 31 + HA GLU 30 OK 88 100 100 88 3.3-3.6 3.6=53, 6327/3.0=37...(13) H GLU 30 + HA GLU 30 OK 59 60 100 98 2.8-2.9 3.0=93, 6318/3.0=21...(11) H ALA 29 - HA GLN 27 poor 13 34 40 - 3.1-7.0 H SER 107 - HA GLN 27 far 0 41 0 - 4.6-29.5 H ALA 29 - HA GLU 30 far 0 92 0 - 4.7-5.5 H LYS 31 - HA GLN 27 far 0 41 0 - 5.2-9.0 H SER 33 - HA GLN 27 far 0 41 0 - 5.4-13.9 H SER 107 - HA GLU 30 far 0 100 0 - 5.8-24.2 H SER 33 - HA GLU 30 far 0 100 0 - 6.2-9.3 H ARG 23 - HA GLN 27 far 0 36 0 - 7.4-13.2 H ARG 23 - HA GLU 30 far 0 96 0 - 8.7-17.8 Violated in 0 structures by 0.00 A. Peak 760 from cnoeabs.peaks (8.26, 1.96, 29.50 ppm; 3.76 A): 4 out of 14 assignments used, quality = 1.00: * H GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.4-3.3 6318=100, 6319/1.8=74...(19) H ALA 29 + HB2 GLU 30 OK 77 93 85 97 4.1-5.7 4.6/6318=44...(26) H LYS 31 + HB2 GLU 30 OK 57 60 100 95 2.0-3.9 4.6=53, 4.6/6318=44...(17) H ALA 29 + HB2 GLN 27 OK 55 73 85 89 3.6-6.2 10788/1.8=47...(14) H GLU 30 - HB2 GLN 27 poor 9 84 25 43 3.6-7.5 6316/10791=12...(8) H LYS 31 - HB2 GLN 27 poor 9 44 20 - 3.3-8.8 H ARG 23 - HB2 GLN 27 far 7 69 10 - 5.1-14.9 H SER 107 - HB2 GLN 27 far 5 46 10 - 3.8-26.8 H SER 107 - HB2 GLU 30 far 3 63 5 - 4.4-25.7 H ARG 23 - HB2 GLU 30 far 0 89 0 - 6.1-17.3 H LEU 43 - HB2 GLN 27 far 0 53 0 - 6.5-23.6 H SER 99 - HB2 GLN 27 far 0 44 0 - 6.7-26.2 H LEU 96 - HB2 GLN 27 far 0 76 0 - 6.8-25.7 H GLU 40 - HB2 GLN 27 far 0 67 0 - 8.5-25.6 Violated in 0 structures by 0.00 A. Peak 761 from cnoeabs.peaks (4.22, 1.96, 29.50 ppm; 3.20 A): 3 out of 17 assignments used, quality = 1.00: * HA GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 27 + HB2 GLN 27 OK 67 67 100 100 2.4-3.0 3.0=100 HA ALA 28 + HB2 GLN 27 OK 65 76 90 95 3.7-5.9 3.0/6297=36, ~6298=27...(21) HA ALA 28 - HB2 GLU 30 far 10 96 10 - 4.4-6.3 HA SER 94 - HB2 GLN 27 far 4 81 5 - 4.3-29.1 HB THR 25 - HB2 GLU 30 far 4 73 5 - 4.6-13.3 HB THR 25 - HB2 GLN 27 far 3 55 5 - 4.6-9.0 HA ALA 29 - HB2 GLN 27 far 0 83 0 - 5.0-7.7 HA ALA 29 - HB2 GLU 30 far 0 100 0 - 5.1-5.6 HA GLU 30 - HB2 GLN 27 far 0 84 0 - 5.7-9.9 HA HIS 67 - HB2 GLN 27 far 0 81 0 - 6.3-19.7 HA GLN 27 - HB2 GLU 30 far 0 87 0 - 6.5-9.5 HA SER 51 - HB2 GLN 27 far 0 80 0 - 7.9-30.6 HA SER 94 - HB2 GLU 30 far 0 99 0 - 8.4-26.6 HA HIS 67 - HB2 GLU 30 far 0 99 0 - 8.8-16.1 HA SER 99 - HB2 GLN 27 far 0 81 0 - 8.8-26.0 HB3 SER 38 - HB2 GLN 27 far 0 83 0 - 9.4-22.4 Violated in 0 structures by 0.00 A. Peak 762 from cnoeabs.peaks (1.96, 1.96, 29.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 30 + HB2 GLU 30 OK 100 100 - 100 HB2 GLN 27 + HB2 GLN 27 OK 80 80 - 100 Peak 763 from cnoeabs.peaks (2.02, 1.96, 29.50 ppm; 2.50 A): 1 out of 18 assignments used, quality = 1.00: * HB3 GLU 30 + HB2 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 44 - HB2 GLN 27 far 4 83 5 - 2.5-24.3 HB VAL 20 - HB2 GLU 30 far 0 87 0 - 4.1-21.5 HB VAL 63 - HB2 GLN 27 far 0 84 0 - 4.5-19.6 HB3 GLU 30 - HB2 GLN 27 far 0 84 0 - 4.7-10.3 HG2 PRO 58 - HB2 GLU 30 far 0 99 0 - 6.1-29.0 HB VAL 20 - HB2 GLN 27 far 0 67 0 - 6.2-18.5 HB3 MET 11 - HB2 GLU 30 far 0 100 0 - 7.1-33.4 QE MET 11 - HB2 GLU 30 far 0 81 0 - 7.1-28.1 QE MET 11 - HB2 GLN 27 far 0 61 0 - 7.5-24.6 HB3 GLU 40 - HB2 GLN 27 far 0 70 0 - 7.7-27.6 HB VAL 63 - HB2 GLU 30 far 0 100 0 - 7.9-20.8 HB3 LEU 53 - HB2 GLN 27 far 0 50 0 - 8.3-29.6 HB2 GLU 55 - HB2 GLN 27 far 0 44 0 - 8.6-31.5 HB3 MET 11 - HB2 GLN 27 far 0 83 0 - 8.8-29.4 HB2 GLU 44 - HB2 GLU 30 far 0 100 0 - 8.9-22.8 HG2 ARG 90 - HB2 GLU 30 far 0 100 0 - 9.9-31.6 HB3 GLU 55 - HB2 GLN 27 far 0 59 0 - 9.9-32.7 Violated in 0 structures by 0.00 A. Peak 764 from cnoeabs.peaks (2.29, 1.96, 29.50 ppm; 4.54 A): 1 out of 11 assignments used, quality = 1.00: * HG2 GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 101 - HB2 GLN 27 far 7 75 10 - 5.3-26.5 HG2 GLU 30 - HB2 GLN 27 poor 7 84 25 35 2.9-9.7 10743/10791=14...(7) HG2 GLN 61 - HB2 GLU 30 far 5 99 5 - 4.6-24.5 HG2 GLU 97 - HB2 GLN 27 far 4 70 5 - 2.1-27.9 HG2 GLU 40 - HB2 GLN 27 far 0 48 0 - 6.1-25.6 HB VAL 105 - HB2 GLU 30 far 0 78 0 - 7.3-26.1 HG2 GLN 61 - HB2 GLN 27 far 0 82 0 - 7.6-22.6 HB VAL 105 - HB2 GLN 27 far 0 59 0 - 7.9-29.0 HB3 GLN 101 - HB2 GLU 30 far 0 95 0 - 8.3-23.2 HG2 GLU 97 - HB2 GLU 30 far 0 90 0 - 8.4-24.8 Violated in 0 structures by 0.00 A. Peak 765 from cnoeabs.peaks (2.33, 1.96, 29.50 ppm; 3.35 A): 3 out of 13 assignments used, quality = 1.00: * HG3 GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 GLN 27 + HB2 GLN 27 OK 61 61 100 100 2.2-3.0 3.0=100 HG3 GLN 27 + HB2 GLN 27 OK 48 48 100 100 2.2-3.0 3.0=100 HG2 GLU 44 - HB2 GLN 27 far 8 82 10 - 3.5-26.7 HG3 GLN 27 - HB2 GLU 30 far 7 65 10 - 4.2-11.3 HG3 GLU 30 - HB2 GLN 27 poor 6 84 25 30 2.0-8.1 10792/10791=12, 783=6...(8) HG3 GLN 68 - HB2 GLU 30 far 5 99 5 - 3.9-17.7 HG2 GLN 27 - HB2 GLU 30 far 4 81 5 - 4.1-11.4 HG2 GLU 102 - HB2 GLN 27 far 0 48 0 - 5.8-28.6 HG2 GLU 40 - HB2 GLN 27 far 0 69 0 - 6.1-25.6 HB VAL 77 - HB2 GLU 30 far 0 100 0 - 7.7-27.6 HG2 GLU 44 - HB2 GLU 30 far 0 99 0 - 8.7-25.4 HG3 GLN 68 - HB2 GLN 27 far 0 81 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 766 from cnoeabs.peaks (8.23, 1.96, 29.50 ppm; 3.74 A): 4 out of 12 assignments used, quality = 1.00: * H LYS 31 + HB2 GLU 30 OK 100 100 100 100 2.0-3.9 6327/1.8=83, 6326=65...(17) H ALA 29 + HB2 GLU 30 OK 76 92 85 97 4.1-5.7 4.6/6318=43...(28) H GLU 30 + HB2 GLU 30 OK 59 60 100 99 2.4-3.3 4.0=82, 6319/1.8=34...(18) H ALA 29 + HB2 GLN 27 OK 54 72 85 88 3.6-6.2 10788/1.8=45...(15) H LYS 31 - HB2 GLN 27 poor 17 84 20 - 3.3-8.8 H GLU 30 - HB2 GLN 27 poor 11 44 25 - 3.6-7.5 H SER 107 - HB2 GLN 27 far 8 84 10 - 3.8-26.8 H ARG 23 - HB2 GLN 27 far 8 76 10 - 5.1-14.9 H SER 107 - HB2 GLU 30 far 5 100 5 - 4.4-25.7 H ARG 23 - HB2 GLU 30 far 0 96 0 - 6.1-17.3 H SER 33 - HB2 GLU 30 far 0 100 0 - 8.1-10.3 H SER 33 - HB2 GLN 27 far 0 84 0 - 8.1-13.7 Violated in 0 structures by 0.00 A. Peak 767 from cnoeabs.peaks (8.26, 2.02, 29.50 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 30 + HB3 GLU 30 OK 100 100 100 100 3.6-3.9 6318/1.8=93, 6319=82...(15) H LYS 31 + HB3 GLU 30 OK 54 60 100 90 3.3-4.4 4.6=50, 4.6/6319=33...(12) H SER 107 - HB3 GLU 30 far 0 63 0 - 5.3-26.0 H ALA 29 - HB3 GLU 30 far 0 93 0 - 5.7-6.5 H ARG 23 - HB3 GLU 30 far 0 89 0 - 7.2-17.6 Violated in 0 structures by 0.00 A. Peak 768 from cnoeabs.peaks (4.22, 2.02, 29.50 ppm; 3.29 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.3-2.5 3.0=100 HA ALA 28 - HB3 GLU 30 far 0 96 0 - 5.8-7.5 HB THR 25 - HB3 GLU 30 far 0 73 0 - 6.0-14.2 HA ALA 29 - HB3 GLU 30 far 0 100 0 - 6.1-6.4 HA GLN 27 - HB3 GLU 30 far 0 87 0 - 7.7-10.9 HA SER 94 - HB3 GLU 30 far 0 99 0 - 8.1-26.2 HA HIS 67 - HB3 GLU 30 far 0 99 0 - 9.1-16.6 HA ALA 34 - HB3 GLU 30 far 0 100 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 769 from cnoeabs.peaks (1.96, 2.02, 29.50 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 30 + HB3 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 27 - HB3 GLU 30 far 0 98 0 - 4.7-10.3 HG2 PRO 113 - HB3 PRO 56 far 0 26 0 - 5.0-14.9 HB2 PRO 58 - HB3 GLU 30 far 0 99 0 - 6.4-27.0 HB3 ARG 90 - HB3 GLU 30 far 0 100 0 - 6.8-29.9 HB2 PRO 58 - HB3 PRO 56 far 0 42 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 770 from cnoeabs.peaks (2.02, 2.02, 29.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 30 + HB3 GLU 30 OK 100 100 - 100 HB3 PRO 56 + HB3 PRO 56 OK 32 32 - 100 Peak 771 from cnoeabs.peaks (2.29, 2.02, 29.50 ppm; 3.64 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 PRO 113 - HB3 PRO 56 far 6 37 15 - 3.1-13.9 HG2 GLN 61 - HB3 GLU 30 far 0 99 0 - 5.4-23.7 HB VAL 105 - HB3 GLU 30 far 0 78 0 - 7.1-26.5 HG2 GLU 97 - HB3 GLU 30 far 0 90 0 - 7.5-25.0 HG2 GLN 61 - HB3 PRO 56 far 0 42 0 - 7.9-11.1 HB3 GLN 101 - HB3 GLU 30 far 0 95 0 - 7.9-23.8 Violated in 0 structures by 0.00 A. Peak 772 from cnoeabs.peaks (2.33, 2.02, 29.50 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.8-3.0 3.0=100 HG3 GLN 68 - HB3 GLU 30 far 5 99 5 - 4.2-17.0 HG2 GLN 27 - HB3 GLU 30 far 4 81 5 - 5.3-12.6 HG3 GLN 27 - HB3 GLU 30 far 3 65 5 - 5.0-12.6 HB VAL 77 - HB3 GLU 30 far 0 100 0 - 6.1-27.7 HG2 GLU 44 - HB3 GLU 30 far 0 99 0 - 9.8-25.8 Violated in 0 structures by 0.00 A. Peak 773 from cnoeabs.peaks (8.23, 2.02, 29.50 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 31 + HB3 GLU 30 OK 100 100 100 100 3.3-4.4 6327=100, 6326/1.8=51...(12) H GLU 30 + HB3 GLU 30 OK 59 60 100 98 3.6-3.9 4.0=76, 6318/1.8=43...(15) H SER 107 - HB3 GLU 30 far 0 100 0 - 5.3-26.0 H ALA 29 - HB3 GLU 30 far 0 92 0 - 5.7-6.5 H ARG 23 - HB3 GLU 30 far 0 96 0 - 7.2-17.6 H SER 33 - HB3 GLU 30 far 0 100 0 - 7.6-10.1 Violated in 0 structures by 0.00 A. Peak 774 from cnoeabs.peaks (8.26, 2.29, 35.22 ppm; 3.95 A): 4 out of 14 assignments used, quality = 1.00: * H GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.3-3.6 6320=100, 6321/1.8=87...(15) H LYS 31 + HG2 GLU 30 OK 56 60 100 93 1.9-4.6 4.9=52, 4.6/6320=42...(11) H ALA 29 + HG2 GLU 30 OK 49 93 55 96 3.7-6.7 4.6/6320=42...(24) H LEU 96 + HG2 GLU 97 OK 26 63 45 91 3.6-6.3 7330/4.6=42...(17) H SER 99 - HG2 GLU 97 poor 11 35 30 - 4.3-7.2 H SER 107 - HG2 GLU 30 far 3 63 5 - 5.2-27.7 H ALA 29 - HG2 GLU 97 far 3 61 5 - 4.2-23.5 H ARG 23 - HG2 GLU 30 far 0 89 0 - 5.7-17.9 H GLU 30 - HG2 GLU 97 far 0 71 0 - 7.2-23.4 H VAL 126 - HG2 GLU 97 far 0 37 0 - 7.7-10.0 H SER 107 - HG2 GLU 97 far 0 37 0 - 7.9-15.1 H LEU 96 - HG2 GLU 30 far 0 96 0 - 8.9-24.2 H LYS 31 - HG2 GLU 97 far 0 35 0 - 9.2-23.9 H ARG 23 - HG2 GLU 97 far 0 57 0 - 9.4-32.0 Violated in 0 structures by 0.00 A. Peak 775 from cnoeabs.peaks (4.22, 2.29, 35.22 ppm; 3.78 A): 3 out of 15 assignments used, quality = 1.00: * HA GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.7-3.8 3.8=100 HA SER 94 + HG2 GLU 97 OK 47 68 75 91 2.4-6.4 3117/2.9=56...(14) HA ALA 28 + HG2 GLU 30 OK 40 96 45 93 3.3-7.7 ~10792=34, 2.1/10743=32...(22) HA ALA 29 - HG2 GLU 30 far 5 100 5 - 4.8-6.3 HA ALA 28 - HG2 GLU 97 far 3 63 5 - 4.8-25.1 HA GLN 27 - HG2 GLU 97 far 3 55 5 - 4.4-25.8 HB THR 25 - HG2 GLU 30 far 0 73 0 - 5.5-12.8 HA HIS 67 - HG2 GLU 97 far 0 67 0 - 5.6-9.5 HA SER 94 - HG2 GLU 30 far 0 99 0 - 5.6-27.4 HA GLN 27 - HG2 GLU 30 far 0 87 0 - 5.8-10.0 HA ALA 29 - HG2 GLU 97 far 0 70 0 - 6.7-21.4 HA GLU 30 - HG2 GLU 97 far 0 71 0 - 6.8-22.8 HA SER 99 - HG2 GLU 97 far 0 67 0 - 6.9-9.4 HB THR 25 - HG2 GLU 97 far 0 44 0 - 9.1-28.2 HA HIS 67 - HG2 GLU 30 far 0 99 0 - 9.4-17.4 Violated in 0 structures by 0.00 A. Peak 776 from cnoeabs.peaks (1.96, 2.29, 35.22 ppm; 3.51 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 27 - HG2 GLU 30 far 15 98 15 - 2.9-9.7 HB2 GLN 27 - HG2 GLU 97 far 3 67 5 - 2.1-27.9 HB2 LYS 95 - HG2 GLU 97 far 0 53 0 - 5.8-9.2 HB3 LYS 95 - HG2 GLU 97 far 0 58 0 - 6.1-9.2 HB3 ARG 90 - HG2 GLU 30 far 0 100 0 - 6.2-30.7 HB2 PRO 58 - HG2 GLU 30 far 0 99 0 - 7.6-25.2 HB2 GLU 30 - HG2 GLU 97 far 0 71 0 - 8.4-24.8 HG LEU 53 - HG2 GLU 30 far 0 83 0 - 8.8-27.2 HB3 ARG 90 - HG2 GLU 97 far 0 69 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 777 from cnoeabs.peaks (2.02, 2.29, 35.22 ppm; 3.41 A): 1 out of 11 assignments used, quality = 1.00: * HB3 GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.4-2.9 3.0=100 HB VAL 20 - HG2 GLU 30 far 4 87 5 - 3.9-19.4 HB3 MET 11 - HG2 GLU 30 far 0 100 0 - 5.2-32.0 QE MET 11 - HG2 GLU 30 far 0 81 0 - 5.3-27.0 HG2 PRO 58 - HG2 GLU 30 far 0 99 0 - 5.5-26.7 HB3 GLU 30 - HG2 GLU 97 far 0 71 0 - 7.5-25.0 HG2 ARG 90 - HG2 GLU 30 far 0 100 0 - 8.3-32.3 HB2 GLU 44 - HG2 GLU 30 far 0 100 0 - 9.0-24.3 HB ILE 129 - HG2 GLU 97 far 0 57 0 - 9.2-11.5 HB VAL 63 - HG2 GLU 30 far 0 100 0 - 9.3-18.7 HG2 ARG 90 - HG2 GLU 97 far 0 70 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 778 from cnoeabs.peaks (2.29, 2.29, 35.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 30 + HG2 GLU 30 OK 100 100 - 100 HG2 GLU 97 + HG2 GLU 97 OK 58 58 - 100 Peak 779 from cnoeabs.peaks (2.33, 2.29, 35.22 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * HG3 GLU 30 + HG2 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 27 - HG2 GLU 30 far 10 65 15 - 3.3-12.0 HG2 GLN 27 - HG2 GLU 97 far 2 50 5 - 2.7-29.2 HG3 GLN 27 - HG2 GLU 97 far 0 39 0 - 4.0-27.8 HG2 GLN 27 - HG2 GLU 30 far 0 81 0 - 4.6-12.2 HG2 GLU 102 - HG2 GLU 97 far 0 39 0 - 5.4-11.1 HG3 GLN 68 - HG2 GLU 30 far 0 99 0 - 5.8-16.3 HB VAL 77 - HG2 GLU 30 far 0 100 0 - 6.6-28.6 HG3 GLU 30 - HG2 GLU 97 far 0 71 0 - 7.8-24.0 HB VAL 77 - HG2 GLU 97 far 0 70 0 - 8.4-11.6 HG2 GLU 44 - HG2 GLU 30 far 0 99 0 - 9.0-24.6 HG3 GLN 68 - HG2 GLU 97 far 0 67 0 - 9.4-16.3 Violated in 0 structures by 0.00 A. Peak 780 from cnoeabs.peaks (8.23, 2.29, 35.22 ppm; 4.14 A): 3 out of 11 assignments used, quality = 1.00: * H LYS 31 + HG2 GLU 30 OK 99 100 100 99 1.9-4.6 6327/3.0=73, 4.9=60...(11) H GLU 30 + HG2 GLU 30 OK 59 60 100 98 2.3-3.6 5.1=55, 3.0/775=46...(15) H ALA 29 + HG2 GLU 30 OK 54 92 60 98 3.7-6.7 4.6/6320=46...(25) H SER 107 - HG2 GLU 30 far 10 100 10 - 5.2-27.7 H ALA 29 - HG2 GLU 97 far 3 59 5 - 4.2-23.5 H ARG 23 - HG2 GLU 30 far 0 96 0 - 5.7-17.9 H GLU 30 - HG2 GLU 97 far 0 35 0 - 7.2-23.4 H SER 107 - HG2 GLU 97 far 0 71 0 - 7.9-15.1 H SER 33 - HG2 GLU 30 far 0 100 0 - 8.2-10.7 H LYS 31 - HG2 GLU 97 far 0 71 0 - 9.2-23.9 H ARG 23 - HG2 GLU 97 far 0 63 0 - 9.4-32.0 Violated in 0 structures by 0.00 A. Peak 781 from cnoeabs.peaks (8.26, 2.33, 35.22 ppm; 4.13 A): 4 out of 8 assignments used, quality = 1.00: * H GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.0-3.3 6321=100, 6320/1.8=87...(15) H ALA 29 + HG3 GLU 30 OK 91 93 100 97 3.5-5.3 4.6/6321=48...(25) H LYS 31 + HG3 GLU 30 OK 57 60 100 95 1.9-4.7 4.9=59, 4.6/6321=48...(14) H GLU 40 + HG2 GLU 40 OK 52 52 100 100 2.1-4.4 4.8=66, 1268/1.8=57...(13) H SER 107 - HG3 GLU 30 far 6 63 10 - 4.2-27.0 H LEU 43 - HG2 GLU 40 far 6 41 15 - 4.7-7.2 H ARG 23 - HG2 GLU 40 far 3 54 5 - 5.2-31.1 H ARG 23 - HG3 GLU 30 far 0 89 0 - 5.8-16.5 Violated in 0 structures by 0.00 A. Peak 782 from cnoeabs.peaks (4.22, 2.33, 35.22 ppm; 3.49 A): 4 out of 13 assignments used, quality = 1.00: * HA GLU 30 + HG3 GLU 30 OK 99 100 100 99 2.3-3.8 3.8=79, 3.0/6321=55...(17) HA ALA 29 + HG3 GLU 30 OK 61 100 65 94 4.4-5.4 3.6/6321=46...(26) HA ALA 28 + HG3 GLU 30 OK 51 96 60 90 3.2-6.1 2.1/10792=46, ~10743=19...(22) HB3 SER 38 + HG2 GLU 40 OK 27 67 65 61 3.8-8.7 9046/3.0=27...(5) HA GLN 27 - HG3 GLU 30 far 4 87 5 - 4.8-8.9 HB THR 25 - HG3 GLU 30 far 0 73 0 - 5.3-12.4 HA SER 94 - HG3 GLU 30 far 0 99 0 - 6.4-25.7 HB THR 25 - HG2 GLU 40 far 0 42 0 - 6.8-29.9 HA GLN 27 - HG2 GLU 40 far 0 52 0 - 7.2-25.3 HA HIS 67 - HG3 GLU 30 far 0 99 0 - 7.6-16.8 HA ALA 34 - HG2 GLU 40 far 0 68 0 - 9.0-13.6 HA ALA 29 - HG2 GLU 40 far 0 67 0 - 9.1-20.7 HA ALA 28 - HG2 GLU 40 far 0 61 0 - 9.9-24.7 Violated in 3 structures by 0.01 A. Peak 783 from cnoeabs.peaks (1.96, 2.33, 35.22 ppm; 3.58 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLN 27 - HG3 GLU 30 poor 8 98 25 34 2.0-8.1 10791/10792=14...(9) HB ILE 37 - HG2 GLU 40 far 0 61 0 - 5.9-10.7 HB2 GLN 27 - HG2 GLU 40 far 0 64 0 - 6.1-25.6 HB2 PRO 58 - HG3 GLU 30 far 0 99 0 - 6.5-26.6 HB3 ARG 90 - HG3 GLU 30 far 0 100 0 - 6.6-29.1 HG LEU 53 - HG3 GLU 30 far 0 83 0 - 8.0-26.5 HB3 PRO 81 - HG2 GLU 40 far 0 62 0 - 8.1-17.1 Violated in 0 structures by 0.00 A. Peak 784 from cnoeabs.peaks (2.02, 2.33, 35.22 ppm; 3.51 A): 2 out of 13 assignments used, quality = 1.00: * HB3 GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 GLU 40 + HG2 GLU 40 OK 55 55 100 100 2.2-3.0 3.0=100 HB2 GLU 44 - HG2 GLU 40 far 10 67 15 - 4.3-8.6 HG2 PRO 58 - HG3 GLU 30 far 5 99 5 - 4.4-28.2 HB VAL 20 - HG3 GLU 30 far 0 87 0 - 5.1-19.0 QE MET 11 - HG3 GLU 30 far 0 81 0 - 5.9-26.3 HB3 MET 11 - HG3 GLU 30 far 0 100 0 - 6.3-31.1 HB2 GLN 134 - HG2 GLU 40 far 0 68 0 - 6.5-14.5 HB VAL 20 - HG2 GLU 40 far 0 52 0 - 7.4-32.5 HB2 GLU 44 - HG3 GLU 30 far 0 100 0 - 7.9-23.5 HG2 PRO 81 - HG2 GLU 40 far 0 48 0 - 8.6-16.4 HG2 ARG 90 - HG3 GLU 30 far 0 100 0 - 8.6-30.7 HB VAL 63 - HG3 GLU 30 far 0 100 0 - 9.3-20.0 Violated in 0 structures by 0.00 A. Peak 785 from cnoeabs.peaks (2.29, 2.33, 35.22 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 30 + HG3 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 61 - HG3 GLU 30 far 0 99 0 - 5.0-23.8 HB VAL 105 - HG3 GLU 30 far 0 78 0 - 6.6-28.0 HG2 GLU 97 - HG3 GLU 30 far 0 90 0 - 7.8-24.0 HB3 GLN 101 - HG3 GLU 30 far 0 95 0 - 9.4-23.1 Violated in 0 structures by 0.00 A. Peak 786 from cnoeabs.peaks (2.33, 2.33, 35.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 30 + HG3 GLU 30 OK 100 100 - 100 HG2 GLU 40 + HG2 GLU 40 OK 54 54 - 100 Peak 787 from cnoeabs.peaks (8.23, 2.33, 35.22 ppm; 4.17 A): 3 out of 8 assignments used, quality = 1.00: * H LYS 31 + HG3 GLU 30 OK 99 100 100 99 1.9-4.7 6327/3.0=74, 4.9=61...(14) H ALA 29 + HG3 GLU 30 OK 90 92 100 98 3.5-5.3 4.6/6321=49...(26) H GLU 30 + HG3 GLU 30 OK 59 60 100 99 2.0-3.3 5.1=56, 6320/1.8=41...(15) H SER 107 - HG3 GLU 30 far 10 100 10 - 4.2-27.0 H ARG 23 - HG2 GLU 40 far 3 61 5 - 5.2-31.1 H ARG 23 - HG3 GLU 30 far 0 96 0 - 5.8-16.5 H SER 33 - HG3 GLU 30 far 0 100 0 - 7.9-10.4 H SER 33 - HG2 GLU 40 far 0 68 0 - 8.4-17.0 Violated in 0 structures by 0.00 A. Peak 788 from cnoeabs.peaks (8.23, 4.28, 56.44 ppm; 3.33 A): 1 out of 21 assignments used, quality = 1.00: * H LYS 31 + HA LYS 31 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 30 - HA LYS 31 poor 18 60 30 - 4.5-5.4 H GLU 30 - HA LYS 26 poor 12 48 25 - 2.7-10.5 H LYS 31 - HA LYS 26 poor 9 89 25 42 1.9-12.2 6330=9, 799/3.0=6...(17) H SER 33 - HA LYS 36 far 9 58 15 - 4.4-8.5 H SER 33 - HA LYS 31 far 5 100 5 - 4.8-6.8 H SER 33 - HA LYS 26 far 4 89 5 - 4.8-16.7 H ALA 29 - HA LYS 26 lone 3 77 30 14 3.4-9.7 799/3.0=3, 3.7/793=3...(9) H ARG 23 - HA LYS 19 lone 3 81 25 15 3.8-11.0 6201/409=3, 6200/401=2...(6) H SER 107 - HA LYS 26 far 0 89 0 - 5.8-30.2 H LYS 31 - HA LYS 19 far 0 89 0 - 6.0-23.5 H ARG 23 - HA LYS 36 far 0 52 0 - 6.3-29.7 H ARG 23 - HA LYS 26 far 0 82 0 - 6.4-9.8 H ALA 29 - HA LYS 31 far 0 92 0 - 6.5-8.1 H ARG 23 - HA LYS 31 far 0 96 0 - 6.8-20.6 H ALA 29 - HA LYS 36 far 0 48 0 - 7.2-18.0 H ALA 29 - HA LYS 19 far 0 77 0 - 7.9-20.7 H GLU 30 - HA LYS 19 far 0 48 0 - 7.9-21.8 H GLU 30 - HA LYS 36 far 0 28 0 - 8.0-16.6 H LYS 31 - HA LYS 36 far 0 58 0 - 8.6-15.4 H SER 107 - HA LYS 31 far 0 100 0 - 8.7-28.3 Violated in 0 structures by 0.00 A. Peak 789 from cnoeabs.peaks (4.28, 4.28, 56.44 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LYS 31 + HA LYS 31 OK 100 100 - 100 HA LYS 26 + HA LYS 26 OK 86 86 - 100 HA LYS 19 + HA LYS 19 OK 84 84 - 100 HA LYS 36 + HA LYS 36 OK 58 58 - 100 Peak 790 from cnoeabs.peaks (1.74, 4.28, 56.44 ppm; 3.90 A): 5 out of 23 assignments used, quality = 1.00: * HB2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 26 + HA LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HB2 LYS 19 + HA LYS 19 OK 87 87 100 100 3.0-3.0 3.0=100 HB2 LYS 31 + HA LYS 26 OK 35 89 45 87 2.0-13.6 4.6/798=7, 800=7...(89) HB2 LYS 26 + HA LYS 31 OK 22 99 25 90 4.1-14.6 809/6342=14, 799/3.0=9...(118) HB2 LYS 24 - HA LYS 19 poor 12 88 30 46 2.2-13.5 2.9/822=4, 2.9/793=4...(27) HB2 ARG 23 - HA LYS 26 far 8 82 10 - 4.3-10.5 HB2 LYS 19 - HA LYS 31 far 5 99 5 - 2.8-25.6 HB2 LYS 24 - HA LYS 26 far 4 88 5 - 5.4-8.8 HB2 LYS 19 - HA LYS 26 far 4 87 5 - 3.8-20.4 HB2 LYS 26 - HA LYS 19 far 4 87 5 - 5.3-21.5 HB2 LYS 24 - HA LYS 36 far 3 57 5 - 4.8-29.5 HB2 ARG 23 - HA LYS 36 far 3 52 5 - 3.7-27.0 HB2 LYS 31 - HA LYS 19 far 0 89 0 - 5.5-26.5 HB2 ARG 23 - HA LYS 19 far 0 81 0 - 6.0-11.8 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 6.3-18.8 HB2 LYS 26 - HA LYS 36 far 0 56 0 - 6.4-25.4 HB2 ARG 23 - HA LYS 31 far 0 96 0 - 6.6-20.9 HB2 LEU 43 - HA LYS 36 far 0 47 0 - 7.6-16.2 HB2 LYS 31 - HA LYS 36 far 0 58 0 - 8.0-15.2 HB2 LYS 39 - HA LYS 36 far 0 44 0 - 8.0-12.5 HB2 LYS 19 - HA LYS 36 far 0 56 0 - 8.1-34.9 HB2 LYS 39 - HA LYS 19 far 0 72 0 - 8.4-39.1 Violated in 0 structures by 0.00 A. Peak 791 from cnoeabs.peaks (1.81, 4.28, 56.44 ppm; 3.50 A): 5 out of 31 assignments used, quality = 1.00: * HB3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 89 89 100 100 2.3-2.7 3.0=100 HB3 LYS 26 + HA LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HA LYS 36 OK 57 57 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HA LYS 26 OK 23 89 40 65 2.7-15.0 1.8/790=6, 4.6/798=6...(30) HB3 LYS 26 - HA LYS 31 poor 20 99 20 - 4.4-15.8 HB ILE 32 - HA LYS 36 poor 14 56 25 - 3.6-10.5 HB3 ARG 23 - HA LYS 26 far 12 83 15 - 4.4-10.8 HB3 LYS 24 - HA LYS 19 poor 10 89 35 31 2.0-13.2 2.9/822=3, 2.9/793=3...(11) HB3 LYS 19 - HA LYS 31 far 5 100 5 - 4.5-26.9 HB3 LYS 31 - HA LYS 19 far 4 89 5 - 3.9-25.7 HB ILE 32 - HA LYS 26 far 4 87 5 - 4.8-15.1 HB3 LYS 24 - HA LYS 36 far 3 58 5 - 4.3-28.6 HB3 ARG 23 - HA LYS 36 far 3 53 5 - 4.0-26.9 HB3 LYS 19 - HA LYS 26 far 0 89 0 - 5.0-20.0 HB ILE 32 - HA LYS 31 far 0 99 0 - 5.1-6.1 HB2 LYS 36 - HA LYS 31 far 0 100 0 - 5.5-14.2 HB3 LYS 26 - HA LYS 19 far 0 87 0 - 5.6-21.5 HB3 ARG 23 - HA LYS 19 far 0 83 0 - 5.9-12.8 HB3 LYS 24 - HA LYS 26 far 0 89 0 - 6.1-8.8 HB3 LYS 31 - HA LYS 36 far 0 58 0 - 6.7-16.3 HB3 LYS 26 - HA LYS 36 far 0 56 0 - 6.9-25.7 HB3 ARG 23 - HA LYS 31 far 0 97 0 - 7.1-20.6 HB2 LYS 36 - HA LYS 26 far 0 88 0 - 7.2-24.7 HB3 LYS 24 - HA LYS 31 far 0 100 0 - 7.6-18.1 HB2 LYS 36 - HA LYS 19 far 0 88 0 - 7.9-35.2 HB2 CYS 79 - HA LYS 36 far 0 31 0 - 8.5-17.2 HB2 CYS 79 - HA LYS 19 far 0 52 0 - 8.5-37.3 HB3 LYS 19 - HA LYS 36 far 0 58 0 - 8.6-35.4 HB3 LEU 103 - HA LYS 26 far 0 70 0 - 8.8-25.1 HB3 LEU 98 - HA LYS 26 far 0 52 0 - 9.6-29.2 Violated in 0 structures by 0.00 A. Peak 792 from cnoeabs.peaks (1.44, 4.28, 56.44 ppm; 3.86 A): 7 out of 27 assignments used, quality = 1.00: * HG2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.1-4.2 3.8=100 HG3 LYS 19 + HA LYS 19 OK 88 89 100 100 2.6-4.0 4.2=80, 6152/3.0=44...(40) HG2 LYS 26 + HA LYS 26 OK 85 85 100 100 2.3-4.1 4.0=86, 6252/2.9=62...(30) HG13 ILE 32 + HA LYS 31 OK 42 100 45 95 4.2-6.8 919/6342=71, 6333/3.0=21...(20) HG3 LYS 36 + HA LYS 36 OK 34 34 100 100 3.0-4.2 4.1=81, 6395/3.0=45...(27) HG3 LYS 24 + HA LYS 19 OK 21 88 40 61 1.9-15.2 822=6, 1.8/271=4...(19) HG2 LYS 31 + HA LYS 26 OK 21 89 30 80 3.2-15.5 822=8, 3.0/790=6...(39) HG2 LYS 26 - HA LYS 31 far 15 98 15 - 4.3-17.0 HG13 ILE 32 - HA LYS 26 poor 12 89 25 53 3.0-13.3 6264/3.6=9, 1.8/10816=9...(15) HG3 LYS 19 - HA LYS 31 far 5 100 5 - 4.9-27.9 HG3 LYS 19 - HA LYS 26 far 4 89 5 - 5.3-21.7 HG13 ILE 32 - HA LYS 36 far 3 58 5 - 5.2-12.3 HG2 LYS 26 - HA LYS 36 far 3 54 5 - 4.1-27.7 HG2 LYS 31 - HA LYS 36 far 0 58 0 - 5.4-17.1 HG3 LYS 24 - HA LYS 26 far 0 88 0 - 5.5-9.6 HG3 LYS 36 - HA LYS 31 far 0 71 0 - 5.5-12.3 HG2 LYS 31 - HA LYS 19 far 0 89 0 - 5.8-24.5 HG3 LYS 36 - HA LYS 26 far 0 57 0 - 5.8-22.9 QB ALA 34 - HA LYS 36 far 0 37 0 - 6.0-6.7 HG3 LYS 24 - HA LYS 31 far 0 100 0 - 6.1-18.0 HG3 LYS 36 - HA LYS 19 far 0 57 0 - 6.6-33.2 HG3 LYS 24 - HA LYS 36 far 0 57 0 - 6.7-27.7 QB ALA 34 - HA LYS 26 far 0 62 0 - 6.9-19.1 HG2 LYS 26 - HA LYS 19 far 0 85 0 - 7.6-22.5 QB ALA 34 - HA LYS 31 far 0 76 0 - 7.9-10.1 HG3 LYS 19 - HA LYS 36 far 0 58 0 - 8.1-37.0 HG13 ILE 32 - HA LYS 19 far 0 89 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 793 from cnoeabs.peaks (1.39, 4.28, 56.44 ppm; 3.75 A): 6 out of 48 assignments used, quality = 1.00: * HG3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.2 3.8=95, 6334/3.0=27...(22) HG3 LYS 26 + HA LYS 26 OK 85 85 100 100 2.6-3.9 4.0=79, 6253/2.9=52...(31) HG2 LYS 19 + HA LYS 19 OK 54 55 100 99 2.3-3.7 4.2=73, 6151/3.0=33...(41) HG2 LYS 36 + HA LYS 36 OK 53 54 100 100 2.3-3.8 4.1=75, 6394/3.0=58...(32) QB ALA 28 + HA LYS 26 OK 25 87 45 65 3.8-7.4 6265/3.6=24, ~10769=21...(12) HG2 LYS 24 + HA LYS 19 OK 20 83 35 71 2.2-15.3 1.8/822=5, 638=4, ~281=2...(48) HG3 LYS 26 - HA LYS 31 poor 20 98 20 - 4.5-16.0 HG3 LYS 31 - HA LYS 26 poor 18 89 25 79 2.3-14.5 1.8/822=6, 3.0/790=6...(43) QB ALA 15 - HA LYS 31 far 15 99 15 - 1.9-22.8 HG3 LYS 26 - HA LYS 36 far 5 54 10 - 4.9-27.4 QB ALA 16 - HA LYS 31 far 5 93 5 - 4.5-22.4 QB ALA 109 - HA LYS 26 far 4 89 5 - 4.0-28.9 QB ALA 108 - HA LYS 26 far 4 87 5 - 5.2-27.3 QB ALA 110 - HA LYS 26 far 4 86 5 - 3.4-31.5 QB ALA 15 - HA LYS 19 far 4 86 5 - 3.6-11.2 QB ALA 29 - HA LYS 26 far 4 84 5 - 5.0-9.8 HG2 LYS 24 - HA LYS 26 far 4 83 5 - 4.2-10.1 HG2 LYS 19 - HA LYS 31 far 3 68 5 - 4.9-26.6 QB ALA 28 - HA LYS 19 far 0 87 0 - 5.3-19.3 QB ALA 28 - HA LYS 31 far 0 99 0 - 5.5-7.8 HG3 LYS 31 - HA LYS 19 far 0 89 0 - 5.5-23.5 HB2 LEU 42 - HA LYS 36 far 0 52 0 - 5.6-11.0 QB ALA 29 - HA LYS 36 far 0 54 0 - 5.6-13.8 QB ALA 15 - HA LYS 26 far 0 86 0 - 5.6-18.8 QB ALA 16 - HA LYS 19 far 0 79 0 - 5.7-9.7 HG3 LYS 31 - HA LYS 36 far 0 58 0 - 5.9-16.7 QB ALA 34 - HA LYS 36 far 0 30 0 - 6.0-6.7 QB ALA 29 - HA LYS 31 far 0 97 0 - 6.1-7.3 HG2 LYS 19 - HA LYS 26 far 0 55 0 - 6.3-22.3 QB ALA 16 - HA LYS 36 far 0 49 0 - 6.4-29.0 HG2 LYS 36 - HA LYS 19 far 0 84 0 - 6.5-33.1 HG2 LYS 24 - HA LYS 31 far 0 97 0 - 6.7-19.6 QB ALA 110 - HA LYS 19 far 0 86 0 - 6.8-43.3 QB ALA 16 - HA LYS 26 far 0 79 0 - 6.9-18.9 QB ALA 34 - HA LYS 26 far 0 50 0 - 6.9-19.1 HG2 LYS 24 - HA LYS 36 far 0 53 0 - 7.0-29.4 HG2 LYS 36 - HA LYS 31 far 0 97 0 - 7.1-11.7 HG2 LYS 36 - HA LYS 26 far 0 84 0 - 7.4-22.3 HG2 LYS 19 - HA LYS 36 far 0 33 0 - 7.5-37.3 QB ALA 108 - HA LYS 31 far 0 99 0 - 7.7-25.8 QB ALA 109 - HA LYS 19 far 0 89 0 - 7.8-40.6 QB ALA 34 - HA LYS 31 far 0 63 0 - 7.9-10.1 QB ALA 29 - HA LYS 19 far 0 84 0 - 8.0-19.1 HG3 LYS 26 - HA LYS 19 far 0 85 0 - 8.0-21.2 QB ALA 28 - HA LYS 36 far 0 56 0 - 8.4-17.1 QB ALA 108 - HA LYS 19 far 0 87 0 - 8.5-39.5 QB ALA 15 - HA LYS 36 far 0 55 0 - 8.6-28.8 QB ALA 109 - HA LYS 31 far 0 100 0 - 9.1-27.0 Violated in 0 structures by 0.00 A. Peak 794 from cnoeabs.peaks (1.66, 4.28, 56.44 ppm; 4.49 A): 14 out of 44 assignments used, quality = 1.00: * HD2 LYS 31 + HA LYS 31 OK 99 100 100 99 2.0-5.4 5.2=64, ~6332=30...(37) HD3 LYS 31 + HA LYS 31 OK 99 100 100 99 2.0-4.9 5.2=64, ~6332=30...(37) HD2 LYS 26 + HA LYS 26 OK 89 89 100 99 2.1-5.4 5.0=74, ~6252=39...(32) HD3 LYS 26 + HA LYS 26 OK 88 89 100 99 2.1-5.1 5.0=74, ~6252=39...(32) HD3 LYS 19 + HA LYS 19 OK 81 81 100 99 2.0-4.8 5.2=66, ~6151=31...(43) HD2 LYS 19 + HA LYS 19 OK 81 81 100 99 2.0-4.5 5.2=66, ~6151=31...(42) HD3 LYS 36 + HA LYS 36 OK 54 54 100 100 3.0-5.3 5.3=62, 1042/3.0=39...(33) HD2 LYS 36 + HA LYS 36 OK 54 54 100 100 3.5-5.3 5.3=62, 1042/3.0=39...(33) HD3 LYS 26 + HA LYS 31 OK 34 100 35 99 4.2-17.5 6336/3.0=7, 3.5/790=4...(187) HD3 LYS 24 + HA LYS 19 OK 31 89 40 87 2.2-14.1 3.0/822=5, 3.0/793=4...(87) HD2 LYS 24 + HA LYS 19 OK 28 89 35 91 3.3-14.3 3.0/822=5, 3.0/793=4...(125) HD3 LYS 31 + HA LYS 26 OK 26 89 30 96 4.2-13.7 3.5/790=7, 2.9/822=6...(159) HD2 LYS 26 + HA LYS 31 OK 25 100 25 99 4.7-17.2 6335/3.0=6, ~6336=5...(193) HD2 LYS 31 + HA LYS 26 OK 21 89 25 94 2.5-14.0 3.5/790=7, 2.9/822=6...(126) HD2 LYS 36 - HA LYS 31 far 15 98 15 - 4.5-11.5 HD2 LYS 26 - HA LYS 36 far 6 58 10 - 4.9-28.2 HD3 LYS 26 - HA LYS 36 far 6 58 10 - 5.8-27.5 HD3 LYS 36 - HA LYS 31 far 5 98 5 - 5.5-11.8 HD2 LYS 19 - HA LYS 31 far 5 96 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 5 96 5 - 3.5-28.9 HD3 LYS 24 - HA LYS 26 far 4 89 5 - 4.6-10.7 HD2 LYS 24 - HA LYS 36 far 0 58 0 - 6.0-27.3 HD2 LYS 24 - HA LYS 26 far 0 89 0 - 6.0-10.6 HD3 LYS 26 - HA LYS 19 far 0 89 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 44 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 82 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 58 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 82 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 85 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 55 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 85 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 89 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 58 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 58 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 89 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 89 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 85 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 46 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 85 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 85 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 99 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 52 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 795 from cnoeabs.peaks (1.66, 4.28, 56.44 ppm; 4.50 A): 14 out of 44 assignments used, quality = 1.00: * HD3 LYS 31 + HA LYS 31 OK 99 100 100 99 2.0-4.9 5.2=64, ~6332=31...(37) HD2 LYS 31 + HA LYS 31 OK 99 100 100 99 2.0-5.4 5.2=64, ~6332=31...(37) HD2 LYS 26 + HA LYS 26 OK 89 89 100 99 2.1-5.4 5.0=74, ~6252=39...(32) HD3 LYS 26 + HA LYS 26 OK 88 89 100 99 2.1-5.1 5.0=74, ~6252=39...(32) HD3 LYS 19 + HA LYS 19 OK 82 83 100 99 2.0-4.8 5.2=66, ~6151=31...(43) HD2 LYS 19 + HA LYS 19 OK 82 83 100 99 2.0-4.5 5.2=66, ~6151=31...(42) HD3 LYS 36 + HA LYS 36 OK 53 54 100 100 3.0-5.3 5.3=62, 1042/3.0=39...(33) HD2 LYS 36 + HA LYS 36 OK 53 54 100 100 3.5-5.3 5.3=62, 1042/3.0=39...(33) HD3 LYS 26 + HA LYS 31 OK 35 100 35 99 4.2-17.5 6336/3.0=7, 3.5/790=4...(187) HD3 LYS 24 + HA LYS 19 OK 31 89 40 87 2.2-14.1 3.0/822=5, 3.0/793=4...(87) HD2 LYS 24 + HA LYS 19 OK 28 89 35 91 3.3-14.3 3.0/822=5, 3.0/793=4...(125) HD3 LYS 31 + HA LYS 26 OK 26 89 30 96 4.2-13.7 3.5/790=7, 2.9/822=6...(160) HD2 LYS 26 + HA LYS 31 OK 25 100 25 99 4.7-17.2 6335/3.0=6, ~6336=5...(193) HD2 LYS 31 + HA LYS 26 OK 21 89 25 94 2.5-14.0 3.5/790=7, 2.9/822=6...(127) HD2 LYS 36 - HA LYS 31 far 15 97 15 - 4.5-11.5 HD2 LYS 26 - HA LYS 36 far 6 58 10 - 4.9-28.2 HD3 LYS 26 - HA LYS 36 far 6 58 10 - 5.8-27.5 HD3 LYS 36 - HA LYS 31 far 5 97 5 - 5.5-11.8 HD2 LYS 19 - HA LYS 31 far 5 97 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 5 97 5 - 3.5-28.9 HD3 LYS 24 - HA LYS 26 far 4 89 5 - 4.6-10.7 HD2 LYS 24 - HA LYS 36 far 3 58 5 - 6.0-27.3 HD2 LYS 24 - HA LYS 26 far 0 89 0 - 6.0-10.6 HD3 LYS 26 - HA LYS 19 far 0 89 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 46 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 83 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 58 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 83 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 84 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 54 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 84 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 89 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 58 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 58 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 89 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 89 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 86 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 44 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 84 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 84 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 98 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 53 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 798 from cnoeabs.peaks (8.14, 4.28, 56.44 ppm; 3.07 A): 1 out of 13 assignments used, quality = 0.97: * H ILE 32 + HA LYS 31 OK 97 100 100 97 2.6-3.5 6342=93, 809/3.0=28...(11) H ILE 32 - HA LYS 26 poor 9 89 25 40 2.9-13.0 809/3.0=8, 6342=7...(15) H LEU 22 - HA LYS 19 poor 7 86 35 24 3.5-8.0 6184/6180=8, 4.9/409=4...(10) H ALA 15 - HA LYS 31 far 5 100 5 - 2.0-28.0 H ALA 15 - HA LYS 19 far 0 89 0 - 6.2-14.7 H ILE 32 - HA LYS 36 far 0 58 0 - 6.4-12.7 H LEU 22 - HA LYS 36 far 0 55 0 - 6.6-31.4 H LEU 22 - HA LYS 31 far 0 99 0 - 6.8-21.3 H LEU 22 - HA LYS 26 far 0 86 0 - 7.6-11.5 H ILE 32 - HA LYS 19 far 0 89 0 - 8.0-25.1 H ASP 71 - HA LYS 31 far 0 100 0 - 8.0-15.9 H ALA 15 - HA LYS 26 far 0 89 0 - 8.1-24.5 H ASP 71 - HA LYS 36 far 0 58 0 - 9.1-14.2 Violated in 17 structures by 0.24 A. Peak 799 from cnoeabs.peaks (8.23, 1.74, 32.78 ppm; 3.07 A): 1 out of 22 assignments used, quality = 0.99: * H LYS 31 + HB2 LYS 31 OK 99 100 100 99 2.2-3.6 6331=91, 6332/1.8=68...(45) H SER 33 - HB2 LYS 26 far 14 96 15 - 3.7-17.1 H LYS 31 - HB2 LYS 26 poor 14 96 35 41 2.7-11.8 6331=9, 6332/1.8=6...(16) H GLU 30 - HB2 LYS 26 poor 13 54 25 - 3.6-9.7 H ARG 23 - HB2 LYS 24 far 9 93 10 - 4.3-6.9 H GLU 30 - HB2 LYS 31 far 9 60 15 - 3.9-6.0 H ALA 29 - HB2 LYS 26 poor 6 85 25 30 3.4-8.3 4.6/10770=13...(7) H SER 33 - HB2 LYS 24 far 5 99 5 - 3.8-22.0 H LYS 31 - HB2 LYS 19 far 5 97 5 - 3.0-23.0 H ARG 23 - HB2 LYS 26 far 4 89 5 - 3.7-11.5 H GLU 30 - HB2 LYS 19 far 0 55 0 - 4.9-22.1 H ARG 23 - HB2 LYS 19 far 0 90 0 - 5.1-12.2 H ALA 29 - HB2 LYS 31 far 0 92 0 - 5.3-8.3 H ARG 23 - HB2 LYS 31 far 0 96 0 - 5.5-20.5 H LYS 31 - HB2 LYS 24 far 0 99 0 - 5.6-16.3 H SER 107 - HB2 LYS 26 far 0 96 0 - 5.8-27.9 H SER 33 - HB2 LYS 31 far 0 100 0 - 5.9-7.5 H ALA 29 - HB2 LYS 24 far 0 89 0 - 6.1-12.0 H GLU 30 - HB2 LYS 24 far 0 57 0 - 6.7-14.2 H ALA 29 - HB2 LYS 19 far 0 86 0 - 6.9-21.1 H ARG 23 - HB2 LYS 39 far 0 31 0 - 9.0-31.5 H SER 33 - HB2 LYS 19 far 0 97 0 - 9.2-28.2 Violated in 13 structures by 0.19 A. Peak 800 from cnoeabs.peaks (4.28, 1.74, 32.78 ppm; 3.34 A): 5 out of 63 assignments used, quality = 1.00: * HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 26 + HB2 LYS 26 OK 93 93 100 100 2.2-3.0 3.0=100 HA LYS 19 + HB2 LYS 19 OK 93 93 100 100 3.0-3.0 3.0=100 HA THR 25 + HB2 LYS 24 OK 42 91 50 93 3.9-6.1 3.0/6232=43, ~6233=25...(24) HA LYS 26 + HB2 LYS 31 OK 23 99 40 58 2.0-13.6 595=7, 798/4.6=5...(35) HA LYS 31 - HB2 LYS 26 poor 19 96 20 - 4.1-14.6 HA LEU 22 - HB2 LYS 24 poor 19 96 20 - 3.7-8.4 HA THR 25 - HB2 LYS 26 far 13 86 15 - 4.4-6.5 HA ALA 16 - HB2 LYS 19 far 10 97 10 - 2.8-10.3 HA ALA 15 - HB2 LYS 19 far 9 94 10 - 2.0-12.9 HA THR 25 - HB2 LYS 31 far 9 93 10 - 2.3-14.6 HA ALA 21 - HB2 LYS 24 far 9 92 10 - 3.8-10.8 HA THR 18 - HB2 LYS 24 far 9 89 10 - 3.7-15.2 HA THR 18 - HB2 LYS 19 far 9 86 10 - 4.6-6.1 HA LYS 19 - HB2 LYS 24 poor 6 95 30 21 2.2-13.5 822/2.9=3, 241/2.9=3...(7) HA ALA 16 - HB2 LYS 31 far 5 100 5 - 4.0-25.6 HA LYS 36 - HB2 LYS 24 far 5 99 5 - 4.8-29.5 HA ALA 15 - HB2 LYS 31 far 5 99 5 - 4.3-23.9 HA ARG 23 - HB2 LYS 31 far 5 98 5 - 4.7-18.9 HA LYS 31 - HB2 LYS 19 far 5 97 5 - 2.8-25.6 HA GLN 61 - HB2 LYS 26 far 5 95 5 - 3.8-23.1 HA LYS 26 - HB2 LYS 19 far 5 94 5 - 3.8-20.4 HA ARG 23 - HB2 LYS 19 far 5 93 5 - 4.8-14.4 HA THR 18 - HB2 LYS 31 far 5 92 5 - 4.4-25.6 HA THR 25 - HB2 LYS 19 far 4 88 5 - 4.7-19.1 HA ARG 23 - HB2 LYS 26 lone 3 92 25 13 2.1-11.0 424/6250=4, 6240/500=2...(4) HA ARG 23 - HB2 LYS 24 far 0 96 0 - 4.9-6.5 HA ALA 12 - HB2 LYS 19 far 0 94 0 - 5.3-18.5 HA LYS 19 - HB2 LYS 26 far 0 91 0 - 5.3-21.5 HA LYS 26 - HB2 LYS 24 far 0 97 0 - 5.4-8.8 HA ALA 110 - HB2 LYS 19 far 0 95 0 - 5.5-52.4 HA LYS 19 - HB2 LYS 31 far 0 97 0 - 5.5-26.5 HA ALA 16 - HB2 LYS 24 far 0 99 0 - 5.9-18.1 HA ALA 109 - HB2 LYS 26 far 0 96 0 - 6.0-33.0 HA ALA 21 - HB2 LYS 19 far 0 89 0 - 6.0-8.4 HA ALA 21 - HB2 LYS 39 far 0 30 0 - 6.2-35.5 HA ALA 108 - HB2 LYS 26 far 0 96 0 - 6.2-31.7 HA GLN 61 - HB2 LYS 24 far 0 98 0 - 6.2-24.2 HA LYS 31 - HB2 LYS 24 far 0 99 0 - 6.3-18.8 HA LYS 36 - HB2 LYS 26 far 0 96 0 - 6.4-25.4 HA ALA 108 - HB2 LYS 24 far 0 99 0 - 6.4-38.3 HA ALA 15 - HB2 LYS 24 far 0 97 0 - 6.4-20.1 HA THR 18 - HB2 LYS 39 far 0 29 0 - 6.6-39.0 HA ALA 21 - HB2 LYS 26 far 0 88 0 - 6.9-15.5 HA LEU 22 - HB2 LYS 26 far 0 92 0 - 7.0-13.1 HA ALA 12 - HB2 LYS 31 far 0 99 0 - 7.0-25.5 HA ALA 21 - HB2 LYS 31 far 0 95 0 - 7.4-20.3 HA ALA 110 - HB2 LYS 26 far 0 94 0 - 7.5-34.3 HA GLN 61 - HB2 LYS 31 far 0 100 0 - 7.7-22.8 HA LEU 22 - HB2 LYS 19 far 0 93 0 - 7.8-10.4 HA ALA 12 - HB2 LYS 24 far 0 97 0 - 7.8-22.2 HA ALA 15 - HB2 LYS 26 far 0 93 0 - 7.9-25.3 HA LYS 36 - HB2 LYS 31 far 0 100 0 - 8.0-15.2 HA LYS 36 - HB2 LYS 39 far 0 35 0 - 8.0-12.5 HA LYS 36 - HB2 LYS 19 far 0 97 0 - 8.1-34.9 HA THR 18 - HB2 LYS 26 far 0 85 0 - 8.2-20.4 HA ALA 109 - HB2 LYS 24 far 0 99 0 - 8.3-40.7 HA LYS 19 - HB2 LYS 39 far 0 32 0 - 8.4-39.1 HA LEU 22 - HB2 LYS 31 far 0 98 0 - 8.7-20.5 HA ALA 108 - HB2 LYS 19 far 0 97 0 - 9.0-49.4 HA ALA 109 - HB2 LYS 19 far 0 97 0 - 9.2-51.5 HA LEU 22 - HB2 LYS 39 far 0 33 0 - 9.9-31.8 HA SER 74 - HB2 LYS 31 far 0 93 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 801 from cnoeabs.peaks (1.74, 1.74, 32.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 98 98 - 100 HB2 LYS 19 + HB2 LYS 19 OK 95 95 - 100 HB2 LYS 26 + HB2 LYS 26 OK 94 94 - 100 HB2 LYS 39 + HB2 LYS 39 OK 26 26 - 100 Peak 802 from cnoeabs.peaks (1.81, 1.74, 32.78 ppm; 2.50 A): 4 out of 34 assignments used, quality = 1.00: * HB3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 1.8-1.8 1.8=100 HB3 LYS 26 + HB2 LYS 26 OK 94 94 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB2 LYS 24 far 15 99 15 - 1.9-15.0 HB3 LYS 31 - HB2 LYS 26 poor 14 96 35 41 1.9-14.9 6332/799=3, 503=3...(26) HB3 ARG 23 - HB2 LYS 26 far 14 90 15 - 2.2-12.8 HB3 LYS 26 - HB2 LYS 31 poor 9 99 25 38 2.0-14.1 6332/6331=3, 3.0/639=2...(11) HB2 LYS 36 - HB2 LYS 24 far 5 98 5 - 3.3-29.5 HB3 LYS 31 - HB2 LYS 19 far 5 97 5 - 1.9-25.4 HB3 LYS 26 - HB2 LYS 19 far 5 95 5 - 3.6-22.7 HB3 LYS 24 - HB2 LYS 19 far 0 97 0 - 4.0-14.4 HB ILE 32 - HB2 LYS 26 far 0 94 0 - 4.3-15.5 HB3 LYS 19 - HB2 LYS 26 far 0 96 0 - 4.5-22.1 HB3 LYS 24 - HB2 LYS 26 far 0 96 0 - 4.7-10.3 HB3 LYS 19 - HB2 LYS 31 far 0 100 0 - 4.8-27.2 HB3 LYS 31 - HB2 LYS 24 far 0 99 0 - 4.9-18.1 HB2 LYS 36 - HB2 LYS 26 far 0 95 0 - 5.0-25.1 HB ILE 32 - HB2 LYS 24 far 0 98 0 - 5.1-20.1 HB3 ARG 23 - HB2 LYS 24 far 0 94 0 - 5.2-7.4 HB3 LYS 26 - HB2 LYS 24 far 0 97 0 - 5.2-10.9 HB3 ARG 23 - HB2 LYS 31 far 0 97 0 - 5.4-20.6 HB ILE 32 - HB2 LYS 31 far 0 99 0 - 5.5-7.0 HB3 LEU 98 - HB2 LYS 24 far 0 63 0 - 5.6-33.1 HB3 ARG 23 - HB2 LYS 19 far 0 92 0 - 6.1-14.6 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.1-18.4 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.2-14.4 HB3 LEU 103 - HB2 LYS 26 far 0 78 0 - 7.8-23.4 HB3 LEU 98 - HB2 LYS 26 far 0 59 0 - 8.1-28.2 HB ILE 32 - HB2 LYS 19 far 0 95 0 - 8.3-25.2 HB3 ARG 135 - HB2 LYS 39 far 0 34 0 - 8.4-15.3 HB2 LEU 100 - HB2 LYS 26 far 0 91 0 - 8.8-21.4 HB2 LYS 36 - HB2 LYS 19 far 0 96 0 - 9.5-34.1 HB2 CYS 79 - HB2 LYS 19 far 0 60 0 - 9.5-37.6 Violated in 0 structures by 0.00 A. Peak 803 from cnoeabs.peaks (1.44, 1.74, 32.78 ppm; 3.51 A): 6 out of 32 assignments used, quality = 1.00: * HG2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 31 OK 26 98 30 87 1.9-15.6 628=8, 629/1.8=7...(66) HG2 LYS 31 + HB2 LYS 26 OK 21 96 25 88 3.5-15.2 823=6, 284/1.8=4...(85) HG13 ILE 32 - HB2 LYS 26 poor 19 96 35 58 2.7-13.3 919/809=10, 6264/6262=8...(21) HG13 ILE 32 - HB2 LYS 31 poor 19 100 25 77 4.2-6.6 919/809=35, 6333/6331=16...(21) HG3 LYS 24 - HB2 LYS 19 poor 16 96 25 65 3.6-16.4 823=4, 822/3.0=3...(24) HG2 LYS 31 - HB2 LYS 19 far 10 97 10 - 3.6-24.3 HG3 LYS 19 - HB2 LYS 31 far 5 100 5 - 4.6-28.5 HG3 LYS 19 - HB2 LYS 24 far 5 99 5 - 2.7-16.0 HG2 LYS 31 - HB2 LYS 24 far 5 99 5 - 4.1-17.7 HG3 LYS 24 - HB2 LYS 26 far 5 95 5 - 2.9-11.4 HG3 LYS 36 - HB2 LYS 31 far 4 71 5 - 4.9-12.3 HG3 LYS 36 - HB2 LYS 24 far 3 68 5 - 2.7-27.9 HG3 LYS 36 - HB2 LYS 26 far 3 64 5 - 3.8-23.1 HG2 LYS 26 - HB2 LYS 24 far 0 96 0 - 5.2-11.5 HG13 ILE 32 - HB2 LYS 24 far 0 99 0 - 5.6-18.1 HG3 LYS 19 - HB2 LYS 26 far 0 96 0 - 6.0-24.0 QB ALA 34 - HB2 LYS 24 far 0 73 0 - 6.0-20.9 HG2 LYS 26 - HB2 LYS 19 far 0 93 0 - 6.0-23.9 QB ALA 34 - HB2 LYS 39 far 0 22 0 - 6.4-12.3 HG13 ILE 32 - HB2 LYS 19 far 0 97 0 - 6.7-23.1 HG3 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.7-18.1 QB ALA 34 - HB2 LYS 26 far 0 69 0 - 7.2-17.5 HG3 LYS 36 - HB2 LYS 19 far 0 65 0 - 7.5-32.1 QB ALA 34 - HB2 LYS 31 far 0 76 0 - 8.9-11.3 QB ALA 34 - HB2 LYS 19 far 0 70 0 - 9.1-28.2 HG2 LYS 86 - HB2 LYS 39 far 0 24 0 - 9.7-16.0 HG3 LYS 24 - HB2 LYS 39 far 0 35 0 - 9.7-30.3 HG3 LYS 19 - HB2 LYS 39 far 0 35 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 804 from cnoeabs.peaks (1.39, 1.74, 32.78 ppm; 3.54 A): 5 out of 57 assignments used, quality = 1.00: * HG3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 63 63 100 100 2.3-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 31 OK 34 98 40 87 2.0-14.6 639=9, 1.8/628=6...(68) QB ALA 28 - HB2 LYS 24 poor 19 97 20 - 3.6-11.7 HG2 LYS 24 - HB2 LYS 19 poor 18 92 20 - 3.7-16.8 QB ALA 28 - HB2 LYS 31 far 15 99 15 - 3.9-8.1 QB ALA 15 - HB2 LYS 31 far 15 99 15 - 2.9-21.5 HG3 LYS 31 - HB2 LYS 26 far 14 96 15 - 3.1-14.0 QB ALA 15 - HB2 LYS 19 far 14 94 15 - 3.2-11.8 QB ALA 16 - HB2 LYS 19 far 13 88 15 - 4.3-10.2 HG2 LYS 19 - HB2 LYS 24 poor 13 65 20 - 3.4-16.9 HG3 LYS 31 - HB2 LYS 24 far 10 99 10 - 3.7-17.1 HG3 LYS 31 - HB2 LYS 19 far 10 97 10 - 2.7-23.1 QB ALA 108 - HB2 LYS 24 far 5 98 5 - 4.3-30.9 QB ALA 15 - HB2 LYS 24 far 5 97 5 - 4.0-16.1 QB ALA 29 - HB2 LYS 24 far 5 95 5 - 4.1-11.9 HG2 LYS 36 - HB2 LYS 24 far 5 95 5 - 4.2-27.3 QB ALA 28 - HB2 LYS 19 far 5 95 5 - 5.0-20.0 QB ALA 108 - HB2 LYS 26 far 5 94 5 - 4.5-25.6 QB ALA 28 - HB2 LYS 26 far 5 94 5 - 4.9-6.6 QB ALA 16 - HB2 LYS 31 far 5 93 5 - 3.9-22.2 QB ALA 110 - HB2 LYS 26 far 5 93 5 - 4.6-29.1 QB ALA 29 - HB2 LYS 26 far 5 91 5 - 5.0-8.6 HG2 LYS 24 - HB2 LYS 26 far 5 90 5 - 2.2-11.2 HB2 LEU 42 - HB2 LYS 39 far 2 31 5 - 4.9-6.9 HG2 LYS 19 - HB2 LYS 31 far 0 68 0 - 5.2-27.3 QB ALA 110 - HB2 LYS 19 far 0 94 0 - 5.2-44.1 HG3 LYS 26 - HB2 LYS 24 far 0 96 0 - 5.4-11.1 HG2 LYS 36 - HB2 LYS 26 far 0 91 0 - 5.5-22.8 HG2 LYS 24 - HB2 LYS 31 far 0 97 0 - 5.6-19.7 QB ALA 29 - HB2 LYS 31 far 0 97 0 - 5.6-7.8 HG3 LYS 26 - HB2 LYS 19 far 0 93 0 - 6.0-22.5 QB ALA 34 - HB2 LYS 24 far 0 60 0 - 6.0-20.9 QB ALA 29 - HB2 LYS 19 far 0 93 0 - 6.4-20.3 HG2 LYS 19 - HB2 LYS 26 far 0 61 0 - 6.4-24.5 HG2 LYS 36 - HB2 LYS 31 far 0 97 0 - 6.5-12.1 QB ALA 109 - HB2 LYS 26 far 0 96 0 - 6.6-26.4 QB ALA 109 - HB2 LYS 24 far 0 99 0 - 6.6-32.7 QB ALA 16 - HB2 LYS 24 far 0 91 0 - 6.8-16.1 HG3 LYS 95 - HB2 LYS 24 far 0 98 0 - 7.0-33.7 QB ALA 34 - HB2 LYS 26 far 0 56 0 - 7.2-17.5 QB ALA 109 - HB2 LYS 19 far 0 97 0 - 7.3-41.6 HG2 LYS 36 - HB2 LYS 19 far 0 93 0 - 7.3-32.2 QB ALA 15 - HB2 LYS 26 far 0 93 0 - 7.6-20.4 QB ALA 16 - HB2 LYS 26 far 0 86 0 - 7.8-20.6 HG2 LYS 95 - HB2 LYS 24 far 0 99 0 - 7.9-33.5 HG2 LYS 24 - HB2 LYS 39 far 0 31 0 - 8.0-31.6 QB ALA 16 - HB2 LYS 39 far 0 29 0 - 8.9-31.7 QB ALA 34 - HB2 LYS 31 far 0 63 0 - 8.9-11.3 QB ALA 34 - HB2 LYS 19 far 0 57 0 - 9.1-28.2 QB ALA 108 - HB2 LYS 19 far 0 95 0 - 9.4-40.4 HG2 LYS 36 - HB2 LYS 39 far 0 32 0 - 9.5-14.0 HB3 LEU 100 - HB2 LYS 26 far 0 90 0 - 9.6-21.1 QB ALA 108 - HB2 LYS 31 far 0 99 0 - 9.7-26.1 QB ALA 110 - HB2 LYS 24 far 0 97 0 - 9.9-36.0 Violated in 0 structures by 0.00 A. Peak 805 from cnoeabs.peaks (1.66, 1.74, 32.78 ppm; 4.35 A): 14 out of 55 assignments used, quality = 1.00: HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 * HD2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.1-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 90 90 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 90 90 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 31 OK 43 100 45 97 2.4-15.6 2.9/639=7, 2.9/628=7...(117) HD2 LYS 26 + HB2 LYS 31 OK 39 100 40 98 3.3-16.0 2.9/639=7, 2.9/628=7...(145) HD2 LYS 31 + HB2 LYS 26 OK 28 96 30 98 4.5-13.8 10771/10770=13...(175) HD2 LYS 39 + HB2 LYS 39 OK 27 27 100 100 2.3-3.5 3.6=100 HD3 LYS 31 + HB2 LYS 26 OK 24 96 25 99 4.1-13.7 10771/10770=11...(196) HD3 LYS 24 + HB2 LYS 19 OK 23 97 25 94 4.7-15.4 3.0/823=4, 2632/1.8=3...(136) HG LEU 43 - HB2 LYS 39 poor 18 26 70 - 4.3-7.0 HD2 LYS 24 - HB2 LYS 19 far 15 97 15 - 3.7-16.1 HD2 LYS 19 - HB2 LYS 24 poor 13 93 30 45 4.1-16.1 294=1, 5.2/790=1...(5) HD3 LYS 19 - HB2 LYS 24 poor 11 93 25 48 2.7-16.8 5.2/790=1, 1.8/305=1...(5) HD2 LYS 31 - HB2 LYS 24 far 5 99 5 - 4.7-17.2 HD2 LYS 36 - HB2 LYS 31 far 5 98 5 - 5.5-12.6 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-23.5 HD2 LYS 31 - HB2 LYS 19 far 5 97 5 - 5.1-23.0 HD3 LYS 24 - HB2 LYS 26 far 5 96 5 - 2.0-12.6 HD3 LYS 26 - HB2 LYS 19 far 5 97 5 - 5.6-21.9 HD2 LYS 36 - HB2 LYS 24 far 5 96 5 - 3.0-25.5 HD2 LYS 24 - HB2 LYS 26 far 5 96 5 - 3.6-12.6 HD3 LYS 36 - HB2 LYS 24 far 5 96 5 - 4.2-25.9 HB2 LEU 98 - HB2 LYS 24 far 5 96 5 - 5.1-34.5 HD2 LYS 19 - HB2 LYS 31 far 5 96 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 96 5 - 5.5-29.5 HD2 LYS 36 - HB2 LYS 26 far 5 92 5 - 5.6-20.8 HD3 LYS 31 - HB2 LYS 24 far 0 99 0 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 0 99 0 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 0 92 0 - 6.1-21.8 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.2-19.4 HD2 LYS 26 - HB2 LYS 19 far 0 97 0 - 6.2-21.7 HB2 LEU 98 - HB2 LYS 26 far 0 92 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 98 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 89 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 89 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 33 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 35 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 33 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 93 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 86 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 88 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 97 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 97 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 31 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 80 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 35 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 35 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 806 from cnoeabs.peaks (1.66, 1.74, 32.78 ppm; 4.35 A): 14 out of 55 assignments used, quality = 1.00: * HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.1-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 92 92 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 92 92 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 31 OK 44 100 45 97 2.4-15.6 2.9/639=7, 2.9/628=7...(117) HD2 LYS 26 + HB2 LYS 31 OK 39 100 40 98 3.3-16.0 2.9/639=7, 2.9/628=7...(145) HD2 LYS 31 + HB2 LYS 26 OK 28 96 30 98 4.5-13.8 10771/10770=13...(175) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.3-3.5 3.6=100 HD3 LYS 31 + HB2 LYS 26 OK 24 96 25 99 4.1-13.7 10771/10770=11...(196) HD3 LYS 24 + HB2 LYS 19 OK 23 97 25 94 4.7-15.4 3.0/823=4, 2632/1.8=3...(136) HG LEU 43 - HB2 LYS 39 poor 19 27 70 - 4.3-7.0 HD2 LYS 24 - HB2 LYS 19 far 15 97 15 - 3.7-16.1 HD2 LYS 19 - HB2 LYS 24 poor 13 94 30 45 4.1-16.1 305=2, 5.2/790=1...(5) HD3 LYS 19 - HB2 LYS 24 poor 11 94 25 48 2.7-16.8 5.2/790=1, 1.8/305=1...(5) HD2 LYS 31 - HB2 LYS 24 far 5 99 5 - 4.7-17.2 HD2 LYS 36 - HB2 LYS 31 far 5 97 5 - 5.5-12.6 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-23.5 HD2 LYS 31 - HB2 LYS 19 far 5 97 5 - 5.1-23.0 HD3 LYS 26 - HB2 LYS 19 far 5 97 5 - 5.6-21.9 HD2 LYS 19 - HB2 LYS 31 far 5 97 5 - 4.9-28.2 HB2 LEU 98 - HB2 LYS 24 far 5 97 5 - 5.1-34.5 HD3 LYS 24 - HB2 LYS 26 far 5 96 5 - 2.0-12.6 HD3 LYS 19 - HB2 LYS 31 far 5 97 5 - 5.5-29.5 HD2 LYS 24 - HB2 LYS 26 far 5 96 5 - 3.6-12.6 HD2 LYS 36 - HB2 LYS 24 far 5 95 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 5 95 5 - 4.2-25.9 HD2 LYS 36 - HB2 LYS 26 far 5 91 5 - 5.6-20.8 HD3 LYS 31 - HB2 LYS 24 far 0 99 0 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 0 99 0 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 0 91 0 - 6.1-21.8 HD3 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.2-19.4 HD2 LYS 26 - HB2 LYS 19 far 0 97 0 - 6.2-21.7 HB2 LEU 98 - HB2 LYS 26 far 0 93 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 97 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 90 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 90 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 32 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 35 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 32 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 93 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 84 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 89 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 98 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 96 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 31 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 81 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 35 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 35 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 807 from cnoeabs.peaks (2.96, 1.74, 32.78 ppm; 6.80 A): 17 out of 47 assignments used, quality = 1.00: * HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.1-5.1 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.8-5.0 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 96 96 100 100 2.0-4.5 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.6-5.5 4.8=100 HE2 LYS 19 + HB2 LYS 19 OK 95 95 100 100 3.2-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 31 OK 64 100 65 99 3.2-17.5 6338/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 64 100 65 99 3.4-17.3 6338/6331=10, 3.6/639=9...(180) HE2 LYS 31 + HB2 LYS 26 OK 60 96 65 96 4.4-12.8 3.7/834=9, 7.1/799=8...(149) HE3 LYS 31 + HB2 LYS 26 OK 50 96 55 96 4.2-12.2 3.7/834=9, 7.1/799=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 47 97 50 98 5.3-18.0 4.0/823=6, 2634/1.8=5...(187) HE2 LYS 24 + HB2 LYS 19 OK 32 93 35 98 4.1-17.5 4.0/823=6, 2634/1.8=5...(186) HE2 LYS 19 + HB2 LYS 24 OK 27 98 35 80 3.8-18.2 6.4/790=3, 1025/2.9=2...(79) HE3 LYS 19 + HB2 LYS 24 OK 24 99 35 70 4.9-17.5 532/2.9=3, 6.4/790=3...(58) HE3 LYS 36 + HB2 LYS 31 OK 20 100 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE3 LYS 24 - HB2 LYS 26 poor 19 96 20 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 14 99 35 39 3.5-12.9 6337/6331=3, ~2634=1...(5) HE2 LYS 26 - HB2 LYS 24 poor 10 99 50 21 5.6-12.3 9587/11151=5, 3.6/834=2 HE3 LYS 24 - HB2 LYS 31 far 10 100 10 - 5.8-20.7 HE3 LYS 19 - HB2 LYS 31 far 10 100 10 - 7.1-27.9 HE2 LYS 19 - HB2 LYS 31 far 10 99 10 - 7.3-27.5 HE2 LYS 31 - HB2 LYS 24 far 10 99 10 - 6.9-18.8 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 6.7-18.7 HE2 LYS 24 - HB2 LYS 31 far 10 98 10 - 4.9-20.2 HE2 LYS 36 - HB2 LYS 24 far 10 97 10 - 1.9-26.5 HE2 LYS 31 - HB2 LYS 19 far 10 97 10 - 5.2-25.0 HE3 LYS 31 - HB2 LYS 19 far 10 97 10 - 5.9-25.9 HE2 LYS 26 - HB2 LYS 19 far 10 97 10 - 6.8-24.3 HE2 LYS 24 - HB2 LYS 26 far 9 92 10 - 4.0-13.1 HE3 LYS 26 - HB2 LYS 24 poor 9 99 35 26 5.3-12.3 9587/11151=7, 3.6/834=2 HE3 LYS 36 - HB2 LYS 26 poor 9 96 40 22 4.9-22.7 10721/10748=3 HE2 LYS 36 - HB2 LYS 26 poor 9 94 35 26 3.3-22.3 10721/10748=2 HE3 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.6-27.4 HE3 LYS 26 - HB2 LYS 19 far 5 97 5 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 5 96 5 - 8.2-24.9 HB2 CYS 45 - HB2 LYS 26 far 4 71 5 - 7.3-23.2 HE3 LYS 36 - HB2 LYS 19 far 0 97 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 94 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 35 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 78 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 95 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 23 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 34 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 75 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 35 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 808 from cnoeabs.peaks (2.97, 1.74, 32.78 ppm; 6.80 A): 17 out of 46 assignments used, quality = 1.00: * HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 3.1-5.1 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.8-5.0 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.6-5.5 4.8=100 HE2 LYS 19 + HB2 LYS 19 OK 93 93 100 100 3.2-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 93 93 100 100 2.0-4.5 5.1=100 HE2 LYS 26 + HB2 LYS 31 OK 65 100 65 99 3.2-17.5 6338/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 65 100 65 99 3.4-17.3 6338/6331=10, 3.6/639=9...(180) HE2 LYS 31 + HB2 LYS 26 OK 59 96 65 96 4.4-12.8 3.7/834=9, 7.1/799=8...(149) HE3 LYS 31 + HB2 LYS 26 OK 51 96 55 96 4.2-12.2 3.7/834=9, 7.1/799=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 47 95 50 98 5.3-18.0 4.0/823=6, 2634/1.8=5...(187) HE2 LYS 24 + HB2 LYS 19 OK 31 90 35 98 4.1-17.5 4.0/823=6, 2634/1.8=5...(186) HE2 LYS 19 + HB2 LYS 24 OK 27 96 35 80 3.8-18.2 6.4/790=3, 1025/2.9=2...(79) HE3 LYS 19 + HB2 LYS 24 OK 24 99 35 70 4.9-17.5 6.4/790=3, 1026/2.9=3...(58) HE3 LYS 36 + HB2 LYS 31 OK 20 99 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE3 LYS 24 - HB2 LYS 26 poor 19 94 20 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 14 97 35 39 3.5-12.9 6337/6331=3, ~2634=1...(4) HE2 LYS 26 - HB2 LYS 24 poor 10 99 50 21 5.6-12.3 9587/11151=5, 3.6/834=2 HE3 LYS 19 - HB2 LYS 31 far 10 100 10 - 7.1-27.9 HE3 LYS 24 - HB2 LYS 31 far 10 99 10 - 5.8-20.7 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 6.7-18.7 HE2 LYS 31 - HB2 LYS 24 far 10 99 10 - 6.9-18.8 HE2 LYS 19 - HB2 LYS 31 far 10 98 10 - 7.3-27.5 HE3 LYS 31 - HB2 LYS 19 far 10 97 10 - 5.9-25.9 HE2 LYS 26 - HB2 LYS 19 far 10 97 10 - 6.8-24.3 HE2 LYS 31 - HB2 LYS 19 far 10 97 10 - 5.2-25.0 HE2 LYS 24 - HB2 LYS 31 far 10 96 10 - 4.9-20.2 HE2 LYS 36 - HB2 LYS 24 far 10 95 10 - 1.9-26.5 HE3 LYS 26 - HB2 LYS 24 poor 9 99 35 26 5.3-12.3 9587/11151=7, 3.6/834=2 HE2 LYS 24 - HB2 LYS 26 far 9 89 10 - 4.0-13.1 HE3 LYS 36 - HB2 LYS 26 poor 9 94 40 22 4.9-22.7 10721/10748=3 HE2 LYS 36 - HB2 LYS 26 poor 8 91 35 26 3.3-22.3 10721/10748=2 HE3 LYS 36 - HB2 LYS 24 far 5 98 5 - 3.6-27.4 HE3 LYS 26 - HB2 LYS 19 far 5 97 5 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 5 96 5 - 8.2-24.9 HB2 CYS 45 - HB2 LYS 26 far 3 64 5 - 7.3-23.2 HE3 LYS 36 - HB2 LYS 19 far 0 95 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 92 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 34 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 71 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 97 0 - 9.3-32.1 HE2 LYS 36 - HB2 LYS 39 far 0 32 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 68 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 34 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 809 from cnoeabs.peaks (8.14, 1.74, 32.78 ppm; 3.83 A): 2 out of 14 assignments used, quality = 0.99: * H ILE 32 + HB2 LYS 31 OK 98 100 100 98 2.9-4.5 6342/3.0=75, 4.6=58...(14) H ILE 32 + HB2 LYS 26 OK 29 96 45 68 2.6-13.1 6343=20, 10819/10733=10...(18) H ALA 15 - HB2 LYS 19 far 15 97 15 - 3.3-15.2 H ALA 15 - HB2 LYS 31 far 10 100 10 - 4.0-26.3 H LEU 22 - HB2 LYS 24 far 10 97 10 - 3.1-8.3 H ILE 32 - HB2 LYS 19 far 5 97 5 - 5.2-24.3 H LEU 22 - HB2 LYS 26 far 5 93 5 - 5.1-13.8 H LEU 22 - HB2 LYS 19 far 0 94 0 - 5.4-9.0 H ALA 15 - HB2 LYS 24 far 0 99 0 - 5.6-21.0 H LEU 22 - HB2 LYS 31 far 0 99 0 - 6.3-21.4 H VAL 133 - HB2 LYS 39 far 0 34 0 - 6.3-12.3 H ILE 32 - HB2 LYS 24 far 0 99 0 - 6.7-18.3 H LEU 22 - HB2 LYS 39 far 0 33 0 - 8.9-33.0 H ASP 71 - HB2 LYS 24 far 0 99 0 - 9.6-22.7 Violated in 4 structures by 0.03 A. Peak 810 from cnoeabs.peaks (8.23, 1.81, 32.78 ppm; 3.08 A): 2 out of 27 assignments used, quality = 1.00: * H LYS 31 + HB3 LYS 31 OK 99 100 100 99 2.1-3.7 6332=92, 6331/1.8=70...(45) H SER 33 + HB2 LYS 36 OK 60 98 70 87 2.2-8.0 6361=37, 10896/6392=27...(18) H ARG 23 - HB3 LYS 24 far 14 94 15 - 4.0-6.7 H LYS 31 - HB3 LYS 26 poor 13 96 35 39 3.2-12.9 6332=8, 799/1.8=8...(19) H GLU 30 - HB3 LYS 31 far 9 60 15 - 4.1-6.3 H ALA 29 - HB3 LYS 26 far 8 85 10 - 4.1-9.5 H LYS 31 - HB3 LYS 19 far 5 100 5 - 4.4-24.3 H SER 33 - HB3 LYS 24 far 5 100 5 - 2.9-21.3 H ARG 23 - HB3 LYS 19 far 5 96 5 - 4.5-11.9 H ARG 23 - HB3 LYS 26 far 4 89 5 - 4.1-11.2 H SER 33 - HB3 LYS 26 far 0 96 0 - 4.6-17.3 H GLU 30 - HB3 LYS 26 far 0 54 0 - 4.7-11.1 H ARG 23 - HB3 LYS 31 far 0 96 0 - 5.0-20.0 H ALA 29 - HB3 LYS 24 far 0 90 0 - 5.0-11.9 H SER 107 - HB3 LYS 26 far 0 96 0 - 5.4-28.8 H ALA 29 - HB3 LYS 31 far 0 92 0 - 5.5-9.0 H SER 33 - HB3 LYS 31 far 0 100 0 - 5.7-8.1 H LYS 31 - HB3 LYS 24 far 0 100 0 - 5.8-15.7 H GLU 30 - HB3 LYS 19 far 0 60 0 - 6.1-22.4 H ALA 29 - HB3 LYS 19 far 0 92 0 - 6.3-20.8 H GLU 30 - HB2 LYS 36 far 0 56 0 - 6.4-16.5 H GLU 30 - HB3 LYS 24 far 0 59 0 - 6.5-13.5 H ALA 29 - HB2 LYS 36 far 0 87 0 - 6.5-17.8 H LYS 31 - HB2 LYS 36 far 0 98 0 - 7.1-15.1 H ARG 23 - HB2 LYS 36 far 0 92 0 - 7.1-29.3 H SER 107 - HB3 LYS 31 far 0 100 0 - 8.8-29.6 H SER 107 - HB3 LYS 24 far 0 100 0 - 9.9-34.9 Violated in 10 structures by 0.08 A. Peak 811 from cnoeabs.peaks (4.28, 1.81, 32.78 ppm; 3.30 A): 6 out of 74 assignments used, quality = 1.00: * HA LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 36 + HB2 LYS 36 OK 98 98 100 100 2.2-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.3-2.7 3.0=100 HA LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.2-3.0 3.0=100 HA THR 25 + HB3 LYS 24 OK 26 92 30 94 4.2-6.5 3.0/6233=44...(22) HA LYS 26 + HB3 LYS 31 OK 20 99 40 51 2.7-15.0 790/1.8=6, 240=5...(18) HA ARG 23 - HB3 LYS 24 poor 19 97 20 - 4.4-6.2 HA LYS 31 - HB3 LYS 26 poor 19 96 20 - 4.4-15.8 HA PHE 87 - HB2 LYS 86 poor 18 61 30 - 4.0-5.5 HA ARG 23 - HB3 LYS 19 far 15 98 15 - 4.3-14.0 HA ALA 21 - HB3 LYS 24 far 14 93 15 - 3.5-10.5 HA THR 18 - HB3 LYS 24 far 9 90 10 - 4.0-14.9 HA LEU 22 - HB3 LYS 24 poor 6 97 25 24 4.2-7.6 6212/4.1=8, 11967/2.9=3...(9) HA LYS 19 - HB3 LYS 24 lone 6 96 30 19 2.0-13.2 822/2.9=3, 241/2.9=3...(6) HA ALA 16 - HB3 LYS 31 far 5 100 5 - 3.3-26.4 HA ALA 16 - HB3 LYS 19 far 5 100 5 - 4.1-11.3 HA LYS 31 - HB3 LYS 19 far 5 100 5 - 4.5-26.9 HA LYS 36 - HB3 LYS 24 far 5 99 5 - 4.3-28.6 HA ALA 15 - HB3 LYS 19 far 5 99 5 - 3.1-13.8 HA ALA 12 - HB3 LYS 19 far 5 99 5 - 4.1-19.2 HA ARG 23 - HB3 LYS 31 far 5 98 5 - 4.2-18.6 HA LYS 19 - HB3 LYS 31 far 5 97 5 - 3.9-25.7 HA GLN 61 - HB3 LYS 26 far 5 95 5 - 4.1-24.5 HA THR 25 - HB3 LYS 31 far 5 93 5 - 2.7-15.0 HA THR 25 - HB3 LYS 19 far 5 93 5 - 4.2-18.3 HA THR 18 - HB3 LYS 31 far 5 92 5 - 2.8-25.1 HA ALA 21 - HB2 LYS 36 far 5 90 5 - 4.2-30.8 HA THR 25 - HB3 LYS 26 far 4 86 5 - 4.7-6.6 HA ARG 23 - HB3 LYS 26 lone 3 92 25 11 2.0-11.3 424/6251=3, 6240/511=2...(4) HA ARG 84 - HB2 LYS 86 far 2 34 5 - 4.8-5.5 HA ALA 15 - HB3 LYS 31 far 0 99 0 - 4.8-24.3 HA ALA 110 - HB3 LYS 19 far 0 99 0 - 5.0-51.4 HA ALA 109 - HB3 LYS 26 far 0 96 0 - 5.0-34.1 HA LYS 26 - HB3 LYS 19 far 0 99 0 - 5.0-20.0 HA ALA 21 - HB3 LYS 19 far 0 94 0 - 5.1-9.1 HA LYS 31 - HB2 LYS 36 far 0 98 0 - 5.5-14.2 HA LYS 19 - HB3 LYS 26 far 0 91 0 - 5.6-21.5 HA THR 18 - HB3 LYS 19 far 0 92 0 - 5.6-6.6 HA ALA 108 - HB3 LYS 26 far 0 96 0 - 5.7-32.7 HA ALA 110 - HB3 LYS 26 far 0 94 0 - 5.7-35.3 HA THR 18 - HB2 LYS 36 far 0 87 0 - 5.7-36.4 HA THR 25 - HB2 LYS 36 far 0 89 0 - 5.9-25.6 HA ALA 15 - HB3 LYS 24 far 0 98 0 - 5.9-19.8 HA ALA 12 - HB3 LYS 31 far 0 99 0 - 6.0-26.6 HA LYS 26 - HB3 LYS 24 far 0 98 0 - 6.1-8.8 HA LEU 22 - HB3 LYS 26 far 0 92 0 - 6.3-13.3 HA LEU 22 - HB3 LYS 19 far 0 98 0 - 6.5-9.9 HA ARG 23 - HB2 LYS 36 far 0 95 0 - 6.5-28.2 HA ALA 15 - HB3 LYS 26 far 0 93 0 - 6.6-24.8 HA LYS 36 - HB3 LYS 31 far 0 100 0 - 6.7-16.3 HA LYS 36 - HB3 LYS 26 far 0 96 0 - 6.9-25.7 HA LEU 22 - HB2 LYS 36 far 0 95 0 - 7.2-31.8 HA LYS 26 - HB2 LYS 36 far 0 95 0 - 7.2-24.7 HA ALA 16 - HB3 LYS 24 far 0 100 0 - 7.3-17.7 HA ALA 21 - HB3 LYS 26 far 0 88 0 - 7.3-15.2 HA ALA 21 - HB3 LYS 31 far 0 95 0 - 7.4-19.9 HA ALA 12 - HB3 LYS 24 far 0 98 0 - 7.6-23.5 HA THR 18 - HB3 LYS 26 far 0 85 0 - 7.6-20.1 HA LYS 31 - HB3 LYS 24 far 0 100 0 - 7.6-18.1 HA GLN 61 - HB3 LYS 31 far 0 100 0 - 7.6-24.0 HA GLN 61 - HB3 LYS 24 far 0 99 0 - 7.7-24.4 HA ALA 108 - HB3 LYS 24 far 0 100 0 - 7.7-37.7 HA LEU 22 - HB3 LYS 31 far 0 98 0 - 7.9-19.7 HA LYS 19 - HB2 LYS 36 far 0 94 0 - 7.9-35.2 HA ALA 109 - HB3 LYS 19 far 0 100 0 - 8.0-50.5 HA ALA 109 - HB3 LYS 24 far 0 100 0 - 8.3-39.9 HA ALA 15 - HB2 LYS 36 far 0 95 0 - 8.6-31.8 HA LYS 36 - HB3 LYS 19 far 0 100 0 - 8.6-35.4 HA GLN 61 - HB3 LYS 19 far 0 100 0 - 8.7-30.4 HA ALA 16 - HB3 LYS 26 far 0 96 0 - 8.8-24.5 HA ALA 108 - HB3 LYS 31 far 0 100 0 - 9.1-32.9 HA ALA 16 - HB2 LYS 36 far 0 98 0 - 9.2-35.2 HA ALA 108 - HB3 LYS 19 far 0 100 0 - 9.5-48.5 HA SER 74 - HB3 LYS 31 far 0 93 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 812 from cnoeabs.peaks (1.74, 1.81, 32.78 ppm; 2.50 A): 5 out of 31 assignments used, quality = 1.00: * HB2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 LYS 19 + HB3 LYS 19 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 LYS 26 + HB3 LYS 26 OK 94 94 100 100 1.8-1.8 1.8=100 HB ILE 80 + HB2 LYS 86 OK 29 66 50 88 3.6-6.1 9729/3.0=14, 9713/3.0=12...(34) HB2 LYS 24 - HB3 LYS 19 far 15 100 15 - 1.9-15.0 HB2 LYS 26 - HB3 LYS 31 poor 14 99 35 41 1.9-14.9 799/6332=3, 493=3...(26) HB2 LYS 31 - HB3 LYS 26 poor 9 96 25 38 2.0-14.1 6331/6332=3, 628/3.0=2...(11) HB2 ARG 23 - HB3 LYS 26 far 9 89 10 - 2.4-12.4 HB2 LYS 19 - HB3 LYS 31 far 5 99 5 - 1.9-25.4 HB2 LYS 24 - HB2 LYS 36 far 5 97 5 - 3.3-29.5 HB2 ARG 23 - HB3 LYS 31 far 5 96 5 - 3.6-20.4 HB2 LYS 19 - HB3 LYS 26 far 5 94 5 - 3.6-22.7 HB2 LYS 19 - HB3 LYS 24 far 0 98 0 - 4.0-14.4 HB2 LYS 26 - HB3 LYS 19 far 0 99 0 - 4.5-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 94 0 - 4.7-7.6 HB2 LYS 26 - HB3 LYS 24 far 0 98 0 - 4.7-10.3 HB2 LYS 31 - HB3 LYS 19 far 0 100 0 - 4.8-27.2 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 4.9-18.1 HB2 LYS 26 - HB2 LYS 36 far 0 96 0 - 5.0-25.1 HG3 ARG 90 - HB2 LYS 86 far 0 62 0 - 5.0-9.3 HB2 ARG 23 - HB3 LYS 19 far 0 96 0 - 5.1-13.2 HB2 LYS 24 - HB3 LYS 26 far 0 95 0 - 5.2-10.9 HB2 ARG 23 - HB2 LYS 36 far 0 92 0 - 5.9-26.6 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.1-18.4 HB2 LYS 31 - HB2 LYS 36 far 0 98 0 - 6.2-14.4 HG13 ILE 129 - HB2 LYS 86 far 0 68 0 - 9.1-11.3 HB2 LEU 43 - HB2 LYS 36 far 0 86 0 - 9.1-16.1 HB2 LEU 43 - HB3 LYS 26 far 0 83 0 - 9.4-28.2 HB2 LYS 19 - HB2 LYS 36 far 0 96 0 - 9.5-34.1 HB3 LEU 70 - HB2 LYS 36 far 0 56 0 - 9.8-17.4 Violated in 0 structures by 0.00 A. Peak 813 from cnoeabs.peaks (1.81, 1.81, 32.78 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 99 99 - 100 HB2 LYS 36 + HB2 LYS 36 OK 97 97 - 100 HB3 LYS 26 + HB3 LYS 26 OK 94 94 - 100 HB2 LYS 86 + HB2 LYS 86 OK 54 54 - 100 Peak 814 from cnoeabs.peaks (1.44, 1.81, 32.78 ppm; 3.63 A): 10 out of 35 assignments used, quality = 1.00: * HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 66 66 100 100 2.2-3.0 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 48 48 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 36 OK 36 98 40 93 4.1-11.8 ~10810=26, ~10899=26...(32) HG2 LYS 26 + HB3 LYS 31 OK 31 98 35 91 2.5-17.3 629=9, 628/1.8=6...(80) HG2 LYS 31 + HB3 LYS 26 OK 30 96 35 89 3.6-16.1 284=6, 823/1.8=5...(107) HG3 LYS 24 + HB3 LYS 19 OK 20 100 30 68 2.0-15.5 284=4, 823/1.8=4...(25) HG13 ILE 32 - HB3 LYS 26 poor 15 96 25 63 2.3-13.7 1.8/913=8, 6264/6263=8...(24) HG13 ILE 32 - HB3 LYS 31 far 15 100 15 - 3.7-7.2 HG3 LYS 19 - HB3 LYS 24 far 10 99 10 - 3.9-16.0 HG2 LYS 26 - HB2 LYS 36 far 9 95 10 - 4.0-27.3 HG2 LYS 31 - HB3 LYS 19 far 5 100 5 - 4.2-25.3 HG3 LYS 19 - HB3 LYS 31 far 5 100 5 - 4.5-27.7 HG3 LYS 24 - HB3 LYS 31 far 5 100 5 - 5.0-17.6 HG2 LYS 31 - HB3 LYS 24 far 5 100 5 - 4.5-18.4 HG2 LYS 31 - HB2 LYS 36 far 5 98 5 - 3.7-16.4 HG3 LYS 24 - HB3 LYS 26 far 5 95 5 - 3.6-11.7 QB ALA 34 - HB3 LYS 24 far 4 74 5 - 4.6-20.2 HG3 LYS 36 - HB3 LYS 24 far 3 69 5 - 3.5-27.2 HG3 LYS 36 - HB3 LYS 26 far 3 64 5 - 5.1-23.3 HG13 ILE 32 - HB3 LYS 24 far 0 99 0 - 5.3-17.6 QB ALA 34 - HB2 LYS 36 far 0 71 0 - 5.3-7.2 HG2 LYS 26 - HB3 LYS 24 far 0 97 0 - 5.5-11.9 HG3 LYS 24 - HB2 LYS 36 far 0 97 0 - 5.5-27.7 HG3 LYS 19 - HB3 LYS 26 far 0 96 0 - 5.6-24.0 HG3 LYS 36 - HB3 LYS 31 far 0 71 0 - 6.0-13.7 HG2 LYS 26 - HB3 LYS 19 far 0 98 0 - 6.8-23.3 QB ALA 34 - HB3 LYS 26 far 0 69 0 - 7.5-18.8 HG3 LYS 36 - HB3 LYS 19 far 0 71 0 - 8.3-32.7 HG13 ILE 32 - HB3 LYS 19 far 0 100 0 - 8.3-24.4 QB ALA 34 - HB3 LYS 31 far 0 76 0 - 9.1-11.7 QB ALA 92 - HB2 LYS 86 far 0 61 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 815 from cnoeabs.peaks (1.39, 1.81, 32.78 ppm; 3.50 A): 7 out of 64 assignments used, quality = 1.00: * HG3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.3-3.0 2.9=100 HG2 LYS 36 + HB2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 68 68 100 100 2.5-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 32 98 40 82 2.2-16.3 1.8/629=7, 640=7...(67) HG3 LYS 31 + HB3 LYS 26 OK 25 96 30 88 3.3-14.9 835=5, 1.8/284=4...(102) HG2 LYS 24 - HB3 LYS 19 poor 19 97 20 - 2.0-15.9 QB ALA 28 - HB3 LYS 31 far 15 99 15 - 4.8-8.0 QB ALA 15 - HB3 LYS 19 far 15 99 15 - 4.0-12.6 HG2 LYS 19 - HB3 LYS 24 far 10 67 15 - 3.4-16.0 QB ALA 15 - HB3 LYS 31 far 10 99 10 - 2.6-21.8 HG3 LYS 31 - HB3 LYS 19 far 5 100 5 - 3.7-24.3 HG3 LYS 31 - HB3 LYS 24 far 5 100 5 - 4.8-17.7 HG3 LYS 31 - HB2 LYS 36 far 5 98 5 - 3.8-16.2 QB ALA 15 - HB3 LYS 24 far 5 98 5 - 4.1-15.5 QB ALA 29 - HB3 LYS 24 far 5 96 5 - 2.6-12.1 HG2 LYS 36 - HB3 LYS 24 far 5 96 5 - 4.9-26.5 QB ALA 108 - HB3 LYS 26 far 5 94 5 - 3.5-26.4 HG3 LYS 26 - HB2 LYS 36 far 5 95 5 - 4.6-27.1 QB ALA 29 - HB2 LYS 36 far 5 94 5 - 5.0-13.4 QB ALA 16 - HB3 LYS 31 far 5 93 5 - 3.6-22.8 QB ALA 110 - HB3 LYS 26 far 5 93 5 - 3.1-29.9 QB ALA 16 - HB3 LYS 19 far 5 93 5 - 4.9-10.4 HG2 LYS 24 - HB3 LYS 26 far 5 90 5 - 2.9-11.3 HG2 LYS 19 - HB3 LYS 31 far 3 68 5 - 4.7-26.5 QB ALA 34 - HB3 LYS 24 far 3 61 5 - 4.6-20.2 QB ALA 28 - HB3 LYS 24 lone 1 98 25 5 3.3-12.8 6234/6233=2, 10790=1 QB ALA 28 - HB3 LYS 19 far 0 99 0 - 5.1-20.6 QB ALA 110 - HB3 LYS 19 far 0 99 0 - 5.1-43.2 HG2 LYS 24 - HB3 LYS 31 far 0 97 0 - 5.1-19.1 QB ALA 108 - HB3 LYS 24 far 0 99 0 - 5.2-30.4 QB ALA 28 - HB3 LYS 26 far 0 94 0 - 5.2-7.7 QB ALA 29 - HB3 LYS 26 far 0 91 0 - 5.3-9.5 QB ALA 34 - HB2 LYS 36 far 0 59 0 - 5.3-7.2 HG3 LYS 26 - HB3 LYS 24 far 0 97 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 93 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 99 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 96 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 99 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 97 0 - 5.9-8.3 QB ALA 16 - HB3 LYS 24 far 0 92 0 - 6.0-15.3 HG2 LYS 19 - HB3 LYS 26 far 0 61 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 93 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 100 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 97 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 92 0 - 6.5-10.8 QB ALA 16 - HB2 LYS 36 far 0 89 0 - 6.6-28.2 HG2 LYS 95 - HB3 LYS 24 far 0 99 0 - 6.7-33.3 HG2 LYS 36 - HB3 LYS 26 far 0 91 0 - 6.8-22.9 QB ALA 16 - HB3 LYS 26 far 0 86 0 - 7.0-20.5 HG3 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 95 0 - 7.4-28.2 QB ALA 34 - HB3 LYS 26 far 0 56 0 - 7.5-18.8 HG2 LYS 36 - HB3 LYS 31 far 0 97 0 - 7.5-13.3 QB ALA 28 - HB2 LYS 36 far 0 96 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.2-32.7 QB ALA 108 - HB3 LYS 31 far 0 99 0 - 8.5-26.6 QB ALA 110 - HB3 LYS 24 far 0 98 0 - 9.1-35.2 QB ALA 34 - HB3 LYS 31 far 0 63 0 - 9.1-11.7 HB3 LEU 100 - HB3 LYS 26 far 0 90 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 64 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 99 0 - 9.7-39.7 QB ALA 109 - HB3 LYS 31 far 0 100 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 816 from cnoeabs.peaks (1.66, 1.81, 32.78 ppm; 3.94 A): 17 out of 60 assignments used, quality = 1.00: HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 * HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.2-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.0-4.1 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 95 96 100 100 2.1-3.7 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 95 96 100 100 2.2-3.7 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 95 95 100 100 2.1-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.3-4.0 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 38 100 40 95 2.9-17.3 2.9/629=7, 2.9/273=5...(118) HD3 LYS 26 + HB3 LYS 31 OK 37 100 40 93 3.4-17.4 2.9/629=7, 2.9/273=5...(94) HD3 LYS 24 + HB3 LYS 19 OK 28 100 35 81 3.5-15.3 3.0/824=3, 3.0/835=2...(75) HD2 LYS 31 + HB3 LYS 26 OK 27 96 30 95 4.2-14.4 2.9/284=4, 2.9/835=4...(160) HD2 LYS 24 + HB3 LYS 19 OK 26 100 30 87 2.0-16.0 3.0/824=3, 3.0/835=2...(109) HD2 LYS 26 - HB2 LYS 36 poor 20 98 20 - 5.1-27.9 HD3 LYS 31 - HB3 LYS 26 poor 19 96 20 - 4.5-14.4 HD3 LYS 19 - HB3 LYS 24 poor 19 94 20 - 2.0-16.3 HD3 LYS 26 - HB2 LYS 36 far 15 98 15 - 4.4-27.1 HD2 LYS 19 - HB3 LYS 24 far 9 94 10 - 3.7-15.7 HD2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.4-17.9 HD2 LYS 31 - HB2 LYS 36 far 5 98 5 - 5.0-15.5 HD2 LYS 36 - HB3 LYS 24 far 5 97 5 - 4.2-24.7 HB2 LEU 98 - HB3 LYS 24 far 5 97 5 - 5.2-34.1 HD3 LYS 24 - HB3 LYS 26 far 5 96 5 - 3.7-12.3 HD2 LYS 24 - HB3 LYS 26 far 5 96 5 - 5.1-12.6 HD2 LYS 19 - HB3 LYS 31 far 5 96 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 96 5 - 4.1-28.8 HG3 ARG 84 - HB2 LYS 86 far 2 43 5 - 5.4-8.3 HD3 LYS 36 - HB3 LYS 24 far 0 97 0 - 5.5-25.2 HG2 ARG 84 - HB2 LYS 86 far 0 43 0 - 5.5-8.0 HD2 LYS 24 - HB2 LYS 36 far 0 98 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 98 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 92 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 68 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 92 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 95 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 98 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 98 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 89 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 98 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 89 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 99 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 92 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 98 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 82 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 98 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 99 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 87 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 817 from cnoeabs.peaks (1.66, 1.81, 32.78 ppm; 3.94 A): 17 out of 60 assignments used, quality = 1.00: * HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 96 97 100 100 2.1-3.7 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 96 97 100 100 2.2-3.7 3.9=100 HD2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.2-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.0-4.1 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 94 94 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 94 94 100 100 2.1-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 68 68 100 100 2.3-4.0 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 38 100 40 95 2.9-17.3 2.9/629=7, 2.9/273=5...(118) HD3 LYS 26 + HB3 LYS 31 OK 37 100 40 93 3.4-17.4 2.9/629=7, 2.9/273=5...(94) HD3 LYS 24 + HB3 LYS 19 OK 28 100 35 81 3.5-15.3 3.0/824=3, 3.0/835=2...(75) HD2 LYS 31 + HB3 LYS 26 OK 27 96 30 95 4.2-14.4 2.9/284=4, 2.9/835=4...(160) HD2 LYS 24 + HB3 LYS 19 OK 26 100 30 87 2.0-16.0 3.0/824=3, 306=2...(109) HD2 LYS 26 - HB2 LYS 36 poor 20 98 20 - 5.1-27.9 HD3 LYS 31 - HB3 LYS 26 poor 19 96 20 - 4.5-14.4 HD3 LYS 19 - HB3 LYS 24 poor 19 95 20 - 2.0-16.3 HD3 LYS 26 - HB2 LYS 36 far 15 98 15 - 4.4-27.1 HD2 LYS 19 - HB3 LYS 24 far 10 95 10 - 3.7-15.7 HD2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.4-17.9 HD2 LYS 31 - HB2 LYS 36 far 5 98 5 - 5.0-15.5 HB2 LEU 98 - HB3 LYS 24 far 5 98 5 - 5.2-34.1 HD2 LYS 19 - HB3 LYS 31 far 5 97 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 97 5 - 4.1-28.8 HD2 LYS 36 - HB3 LYS 24 far 5 96 5 - 4.2-24.7 HD3 LYS 24 - HB3 LYS 26 far 5 96 5 - 3.7-12.3 HD2 LYS 24 - HB3 LYS 26 far 5 96 5 - 5.1-12.6 HG3 ARG 84 - HB2 LYS 86 far 2 44 5 - 5.4-8.3 HD3 LYS 36 - HB3 LYS 24 far 0 96 0 - 5.5-25.2 HG2 ARG 84 - HB2 LYS 86 far 0 44 0 - 5.5-8.0 HD2 LYS 24 - HB2 LYS 36 far 0 98 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 98 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 100 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 91 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 68 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 91 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 95 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 100 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 97 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 98 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 90 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 97 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 90 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 100 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 93 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 99 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 84 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 97 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 98 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 85 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 818 from cnoeabs.peaks (2.96, 1.81, 32.78 ppm; 6.80 A): 21 out of 55 assignments used, quality = 1.00: * HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 99 99 100 100 2.1-4.9 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.8-5.3 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 98 98 100 100 2.0-4.5 4.9=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.1 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 96 96 100 100 3.3-4.7 4.9=100 HE3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.3-5.0 4.8=100 HE3 LYS 86 + HB2 LYS 86 OK 67 67 100 100 3.0-3.5 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 60 100 60 99 2.2-19.2 6338/6332=10, 3.6/629=10...(165) HE3 LYS 26 + HB3 LYS 31 OK 59 100 60 99 3.3-19.0 6338/6332=10, 3.6/629=10...(160) HE2 LYS 31 + HB3 LYS 26 OK 55 96 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE2 LYS 26 + HB2 LYS 36 OK 49 98 55 91 2.4-29.4 1004/1.8=17, ~1004=13...(60) HE3 LYS 24 + HB3 LYS 19 OK 48 100 50 97 3.9-16.9 1228/1.8=5, 11770/3.0=5...(161) HE3 LYS 31 + HB3 LYS 26 OK 46 96 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 26 + HB2 LYS 36 OK 43 98 50 88 2.6-28.9 1003/1.8=15, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 33 98 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 29 99 35 83 3.5-17.2 1025/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 28 100 35 79 4.6-17.1 532/2.9=3, 6.4/240=2...(92) HE3 LYS 36 - HB3 LYS 31 poor 20 100 55 36 4.9-14.1 6337/6332=4...(3) HE2 LYS 24 - HB3 LYS 31 poor 20 98 20 - 6.0-19.3 HE3 LYS 19 - HB3 LYS 31 far 15 100 15 - 6.2-27.1 HE3 LYS 24 - HB3 LYS 31 far 15 100 15 - 6.7-20.0 HE3 LYS 24 - HB3 LYS 26 far 14 96 15 - 6.0-13.6 HE2 LYS 36 - HB3 LYS 31 poor 14 99 35 40 5.3-14.3 10813/10751=3...(14) HE2 LYS 24 - HB3 LYS 26 far 14 92 15 - 5.2-13.2 HE2 LYS 31 - HB3 LYS 19 far 10 100 10 - 6.5-26.1 HE2 LYS 26 - HB3 LYS 19 far 10 100 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 10 100 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 10 100 10 - 7.6-23.7 HE2 LYS 36 - HB3 LYS 24 far 10 98 10 - 3.5-25.9 HE2 LYS 26 - HB3 LYS 24 lone 8 99 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 8 99 35 22 4.8-12.9 9587/985=2, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 7 96 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 6 94 25 26 4.2-22.7 10721/10720=3, 10813/10751=2 HB2 CYS 45 - HB2 LYS 36 lone 6 74 55 15 1.8-11.9 10889/10749=4...(6) HG CYS 73 - HB2 LYS 36 far 6 59 10 - 7.8-14.8 HE3 LYS 36 - HB3 LYS 24 far 5 99 5 - 5.2-26.7 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.8-26.9 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 7.8-18.3 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.6-18.3 HE3 LYS 24 - HB2 LYS 36 far 5 98 5 - 7.5-29.6 HE3 LYS 19 - HB3 LYS 26 far 5 96 5 - 8.0-25.2 HE2 LYS 24 - HB2 LYS 36 far 5 95 5 - 6.1-29.9 HE2 LYS 31 - HB2 LYS 36 lone 5 98 40 12 6.2-12.8 10721/10898=5, 9008/929=3 HD2 ARG 135 - HB2 LYS 86 far 4 39 10 - 7.9-12.6 HB2 CYS 45 - HB3 LYS 26 far 4 71 5 - 7.5-24.2 HE3 LYS 31 - HB2 LYS 36 lone 3 98 25 12 5.6-14.2 10840/10898=4, 9008/929=3 HE2 LYS 19 - HB3 LYS 26 far 0 94 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 96 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 78 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 78 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 819 from cnoeabs.peaks (2.97, 1.81, 32.78 ppm; 6.80 A): 21 out of 54 assignments used, quality = 1.00: * HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.8-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.1-4.9 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 96 96 100 100 2.0-4.5 4.9=100 HE3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.3-5.0 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 94 94 100 100 2.0-5.1 5.1=100 HE2 LYS 36 + HB2 LYS 36 OK 94 94 100 100 3.3-4.7 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 65 65 100 100 3.0-3.5 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 60 100 60 99 2.2-19.2 6338/6332=10, 3.6/629=10...(165) HE3 LYS 26 + HB3 LYS 31 OK 60 100 60 99 3.3-19.0 6338/6332=10, 3.6/629=10...(160) HE2 LYS 31 + HB3 LYS 26 OK 55 96 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE2 LYS 26 + HB2 LYS 36 OK 49 98 55 91 2.4-29.4 1004/1.8=16, ~1004=13...(60) HE3 LYS 24 + HB3 LYS 19 OK 48 99 50 97 3.9-16.9 11770/3.0=5, 4.0/526=5...(161) HE3 LYS 31 + HB3 LYS 26 OK 46 96 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(138) HE3 LYS 26 + HB2 LYS 36 OK 43 98 50 88 2.6-28.9 1004/1.8=15, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 33 96 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 28 97 35 83 3.5-17.2 1025/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 27 99 35 79 4.6-17.1 1025/2.9=3, 6.4/240=2...(92) HE3 LYS 36 - HB3 LYS 31 poor 20 99 55 36 4.9-14.1 6337/6332=4...(3) HE2 LYS 24 - HB3 LYS 31 poor 19 96 20 - 6.0-19.3 HE3 LYS 19 - HB3 LYS 31 far 15 100 15 - 6.2-27.1 HE3 LYS 24 - HB3 LYS 31 far 15 99 15 - 6.7-20.0 HE3 LYS 24 - HB3 LYS 26 far 14 94 15 - 6.0-13.6 HE2 LYS 36 - HB3 LYS 31 poor 14 97 35 40 5.3-14.3 10813/10751=3...(13) HE2 LYS 24 - HB3 LYS 26 far 13 89 15 - 5.2-13.2 HE2 LYS 26 - HB3 LYS 19 far 10 100 10 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 10 100 10 - 6.5-26.1 HE3 LYS 31 - HB3 LYS 19 far 10 100 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 10 100 10 - 7.6-23.7 HE2 LYS 36 - HB3 LYS 24 far 10 96 10 - 3.5-25.9 HE2 LYS 26 - HB3 LYS 24 lone 8 100 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 8 100 35 22 4.8-12.9 9587/985=2, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 6 94 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 6 91 25 26 4.2-22.7 10721/10720=3, 10813/10751=2 HB2 CYS 45 - HB2 LYS 36 lone 5 66 55 14 1.8-11.9 10889/10749=3...(6) HE3 LYS 31 - HB3 LYS 24 far 5 100 5 - 7.6-18.3 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.8-18.3 HE3 LYS 36 - HB3 LYS 24 far 5 99 5 - 5.2-26.7 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.8-26.9 HE3 LYS 24 - HB2 LYS 36 far 5 96 5 - 7.5-29.6 HE3 LYS 19 - HB3 LYS 26 far 5 96 5 - 8.0-25.2 HE2 LYS 31 - HB2 LYS 36 lone 5 98 40 12 6.2-12.8 10721/10898=5, 9008/929=3 HE2 LYS 24 - HB2 LYS 36 far 5 92 5 - 6.1-29.9 HD2 ARG 135 - HB2 LYS 86 far 3 34 10 - 7.9-12.6 HB2 CYS 45 - HB3 LYS 26 far 3 64 5 - 7.5-24.2 HE3 LYS 31 - HB2 LYS 36 lone 3 98 25 12 5.6-14.2 10840/10898=5, 9008/929=3 HE2 LYS 19 - HB3 LYS 26 far 0 92 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 98 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 71 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 99 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 71 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 820 from cnoeabs.peaks (8.14, 1.81, 32.78 ppm; 3.95 A): 3 out of 21 assignments used, quality = 1.00: * H ILE 32 + HB3 LYS 31 OK 99 100 100 99 2.7-4.6 6342/3.0=78, 4.6=63...(15) H PHE 87 + HB2 LYS 86 OK 42 43 100 98 2.2-3.6 4.6=64, 7157/1.8=49...(22) H ILE 32 + HB3 LYS 26 OK 26 96 40 66 3.3-13.2 809/1.8=18, 798/3.0=10...(18) H ILE 32 - HB2 LYS 36 poor 20 98 20 - 4.9-12.4 H LEU 22 - HB3 LYS 19 poor 11 99 25 43 4.4-8.8 10724/10678=21...(7) H ALA 15 - HB3 LYS 31 far 10 100 10 - 2.8-26.7 H LEU 22 - HB3 LYS 24 poor 9 98 30 32 3.6-8.2 831/2.9=7, ~11967=5...(11) H ALA 15 - HB3 LYS 19 far 5 100 5 - 4.2-16.3 H ALA 15 - HB3 LYS 24 far 5 99 5 - 5.4-20.9 H LEU 22 - HB3 LYS 31 far 0 99 0 - 5.5-20.7 H LEU 22 - HB3 LYS 26 far 0 93 0 - 5.9-13.7 H ILE 32 - HB3 LYS 24 far 0 100 0 - 6.8-17.6 H ILE 32 - HB3 LYS 19 far 0 100 0 - 6.8-25.6 H LEU 22 - HB2 LYS 36 far 0 95 0 - 7.3-31.0 H GLU 91 - HB2 LYS 86 far 0 57 0 - 7.3-8.4 H ASP 71 - HB2 LYS 36 far 0 98 0 - 7.5-14.2 H ALA 15 - HB2 LYS 36 far 0 98 0 - 8.6-34.1 H VAL 133 - HB2 LYS 86 far 0 67 0 - 8.8-11.1 H ASP 71 - HB3 LYS 24 far 0 99 0 - 8.8-22.7 H ALA 15 - HB3 LYS 26 far 0 96 0 - 9.3-26.6 H ASP 71 - HB3 LYS 31 far 0 100 0 - 9.5-18.0 Violated in 0 structures by 0.00 A. Peak 821 from cnoeabs.peaks (8.23, 1.44, 24.73 ppm; 5.05 A): 4 out of 22 assignments used, quality = 1.00: * H LYS 31 + HG2 LYS 31 OK 100 100 100 100 1.7-4.9 5.0=100 H ARG 23 + HG3 LYS 24 OK 56 91 65 95 4.3-7.4 6211/6223=84, 832/1.8=16...(30) H LYS 31 + HG2 LYS 26 OK 30 83 45 79 2.8-14.2 799/3.0=11, 6332/3.0=8...(44) H GLU 30 + HG2 LYS 31 OK 22 60 65 57 3.6-7.5 4.6/6333=25, 416/3.8=9...(11) H ARG 23 - HG2 LYS 26 poor 19 76 25 - 2.8-12.7 H GLU 30 - HG2 LYS 26 poor 17 43 40 - 4.7-11.8 H SER 33 - HG2 LYS 26 poor 16 83 40 48 3.3-19.4 6360/892=17, 4.6/831=8...(11) H ALA 29 - HG2 LYS 31 far 14 92 15 - 5.5-9.6 H ALA 29 - HG2 LYS 26 poor 14 71 50 39 4.6-10.3 ~10733=25, 799/3.0=5...(6) H LYS 31 - HG3 LYS 19 far 10 98 10 - 4.4-25.4 H SER 33 - HG2 LYS 31 far 5 100 5 - 5.0-9.1 H SER 33 - HG3 LYS 24 far 5 97 5 - 5.1-20.5 H LYS 31 - HG3 LYS 24 far 5 97 5 - 6.4-15.4 H ARG 23 - HG2 LYS 31 far 5 96 5 - 5.7-18.5 H ALA 29 - HG3 LYS 24 far 4 87 5 - 5.1-13.1 H GLU 30 - HG3 LYS 19 far 3 56 5 - 5.7-23.7 H ARG 23 - HG3 LYS 19 far 0 92 0 - 6.6-13.4 H SER 107 - HG2 LYS 26 far 0 83 0 - 7.0-27.2 H ALA 29 - HG3 LYS 19 far 0 87 0 - 7.5-22.9 H GLU 30 - HG3 LYS 24 far 0 55 0 - 7.6-14.8 H SER 107 - HG3 LYS 24 far 0 97 0 - 8.8-37.2 H SER 107 - HG2 LYS 31 far 0 100 0 - 8.9-29.1 Violated in 0 structures by 0.00 A. Peak 822 from cnoeabs.peaks (4.28, 1.44, 24.73 ppm; 5.78 A): 12 out of 60 assignments used, quality = 1.00: * HA LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.1-4.2 3.8=100 HA LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.6-4.0 4.2=100 HA ARG 23 + HG3 LYS 24 OK 92 94 100 98 4.1-7.1 3.6/6223=94, 2.9/821=20...(17) HA THR 25 + HG3 LYS 24 OK 88 88 100 100 3.0-7.0 ~6234=59, ~6233=57...(30) HA THR 18 + HG3 LYS 19 OK 87 87 100 100 5.2-7.2 226/4.9=75, 10686/1.8=63...(24) HA LYS 26 + HG2 LYS 26 OK 80 80 100 100 2.3-4.1 4.0=100 HA THR 25 + HG2 LYS 26 OK 73 73 100 100 4.4-7.2 3.6/6252=91...(25) HA LEU 22 + HG3 LYS 24 OK 59 94 90 70 4.0-9.2 6212/6223=19, 375/821=18...(12) HA LYS 26 + HG2 LYS 31 OK 48 99 50 97 3.2-15.5 790/3.0=10, 3.0/823=8...(135) HA LYS 31 + HG2 LYS 26 OK 33 83 40 100 4.3-17.0 6342/831=13, 3.0/821=10...(153) HA LYS 19 + HG3 LYS 24 OK 32 93 40 87 1.9-15.2 3.6/6164=7, 3.0/281=6...(105) HA ARG 23 + HG2 LYS 26 OK 22 79 50 54 1.9-10.9 6240/6235=7, 424/6252=5...(36) HA ARG 23 - HG2 LYS 31 poor 20 98 20 - 3.9-16.8 HA LYS 36 - HG2 LYS 26 poor 17 83 20 - 4.1-27.7 HA LYS 19 - HG2 LYS 31 far 15 97 15 - 5.8-24.5 HA ARG 23 - HG3 LYS 19 far 14 94 15 - 6.5-15.5 HA LEU 22 - HG2 LYS 26 far 12 79 15 - 4.9-13.9 HA ALA 16 - HG2 LYS 31 far 10 100 10 - 4.0-28.1 HA ALA 15 - HG2 LYS 31 far 10 99 10 - 3.6-24.5 HA LYS 31 - HG3 LYS 19 far 10 98 10 - 4.9-27.9 HA ALA 15 - HG3 LYS 24 far 9 95 10 - 5.0-22.0 HA LYS 26 - HG3 LYS 24 far 9 95 10 - 5.5-9.6 HA THR 18 - HG2 LYS 31 far 9 92 10 - 2.4-23.7 HA THR 25 - HG3 LYS 19 far 9 89 10 - 5.1-20.2 HA ALA 21 - HG3 LYS 24 lone 8 90 50 18 2.9-11.0 3.6/831=15, 6202/821=1 HA LYS 36 - HG2 LYS 31 far 5 100 5 - 5.4-17.1 HA ALA 108 - HG3 LYS 24 far 5 97 5 - 5.6-39.9 HA LYS 31 - HG3 LYS 24 far 5 97 5 - 6.1-18.0 HA ALA 16 - HG3 LYS 24 far 5 97 5 - 7.1-19.8 HA LYS 36 - HG3 LYS 24 far 5 97 5 - 6.7-27.7 HA LYS 26 - HG3 LYS 19 far 5 95 5 - 5.3-21.7 HA ALA 109 - HG2 LYS 26 far 4 83 5 - 4.3-33.1 HA GLN 61 - HG2 LYS 26 far 4 82 5 - 1.9-24.5 HA ALA 108 - HG2 LYS 26 far 4 83 5 - 6.4-30.9 HA ALA 110 - HG2 LYS 26 far 4 81 5 - 6.5-34.3 HA ALA 21 - HG2 LYS 26 far 4 74 5 - 6.9-16.4 HA THR 25 - HG2 LYS 31 lone 3 93 25 11 2.1-16.1 582/523=4, 11151/823=2 HA THR 18 - HG3 LYS 24 lone 2 87 25 11 3.7-15.7 3.6/281=6, 6160/6164=2 HA ALA 15 - HG3 LYS 19 lone 1 95 45 2 3.0-14.8 HA ALA 16 - HG3 LYS 19 lone 1 98 25 3 5.0-11.8 7131/4.9=1 HA ALA 12 - HG3 LYS 19 lone 1 95 35 2 5.2-19.0 HA LEU 22 - HG3 LYS 19 far 0 94 0 - 7.6-11.9 HA LYS 19 - HG2 LYS 26 far 0 78 0 - 7.6-22.5 HA ALA 109 - HG3 LYS 24 far 0 97 0 - 7.6-42.1 HA ALA 110 - HG3 LYS 19 far 0 96 0 - 7.6-53.8 HA ALA 21 - HG3 LYS 19 far 0 90 0 - 7.7-10.2 HA ALA 12 - HG2 LYS 31 far 0 99 0 - 7.9-26.4 HA ALA 21 - HG2 LYS 31 far 0 95 0 - 7.9-21.0 HA LYS 36 - HG3 LYS 19 far 0 98 0 - 8.1-37.0 HA GLN 61 - HG2 LYS 31 far 0 100 0 - 8.3-22.4 HA LEU 22 - HG2 LYS 31 far 0 98 0 - 8.4-19.0 HA ALA 109 - HG3 LYS 19 far 0 98 0 - 8.5-52.9 HA GLN 61 - HG3 LYS 24 far 0 97 0 - 8.6-24.5 HA ALA 15 - HG2 LYS 26 far 0 80 0 - 8.6-26.7 HA GLN 61 - HG3 LYS 19 far 0 97 0 - 8.6-32.8 HA ALA 12 - HG3 LYS 24 far 0 95 0 - 8.7-22.6 HA ALA 108 - HG2 LYS 31 far 0 100 0 - 9.6-32.1 HA ALA 108 - HG3 LYS 19 far 0 98 0 - 9.7-51.0 HA SER 74 - HG2 LYS 31 far 0 93 0 - 9.8-25.4 HA ALA 110 - HG3 LYS 24 far 0 95 0 - 9.8-43.9 Violated in 0 structures by 0.00 A. Peak 823 from cnoeabs.peaks (1.74, 1.44, 24.73 ppm; 5.08 A): 7 out of 23 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-3.0 2.9=100 HB2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 81 81 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 31 OK 44 99 45 99 3.5-15.2 834/1.8=8, 799/5.0=8...(180) HB2 LYS 31 + HG2 LYS 26 OK 41 83 50 99 1.9-15.6 639/1.8=9, 4.6/831=8...(212) HB2 LYS 19 + HG3 LYS 24 OK 31 95 35 93 3.6-16.4 6149/281=6, 3.0/282=5...(122) HB2 LYS 24 - HG3 LYS 19 poor 19 97 20 - 2.7-16.0 HB2 ARG 23 - HG2 LYS 31 poor 19 96 20 - 3.9-18.6 HB2 ARG 23 - HG2 LYS 26 poor 16 76 35 59 2.9-13.2 433/6252=6, 834/1.8=4...(30) HB2 LYS 24 - HG2 LYS 31 far 15 100 15 - 4.1-17.7 HB2 ARG 23 - HG3 LYS 24 far 14 91 15 - 5.7-8.6 HB2 LYS 24 - HG2 LYS 26 far 12 82 15 - 5.2-11.5 HB2 LYS 19 - HG2 LYS 31 far 10 99 10 - 3.6-24.3 HB2 LYS 31 - HG3 LYS 19 far 10 98 10 - 4.6-28.5 HB2 LYS 26 - HG3 LYS 24 far 5 95 5 - 2.9-11.4 HB2 LYS 26 - HG3 LYS 19 far 5 96 5 - 6.0-24.0 HB2 LYS 19 - HG2 LYS 26 far 4 81 5 - 6.0-23.9 HB2 LYS 31 - HG3 LYS 24 far 0 97 0 - 6.7-18.1 HB2 ARG 23 - HG3 LYS 19 far 0 92 0 - 7.5-15.3 HB2 LEU 43 - HG2 LYS 26 far 0 70 0 - 9.6-29.1 HB2 LYS 39 - HG3 LYS 24 far 0 81 0 - 9.7-30.3 HB2 LYS 39 - HG3 LYS 19 far 0 82 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 824 from cnoeabs.peaks (1.81, 1.44, 24.73 ppm; 4.48 A): 7 out of 33 assignments used, quality = 1.00: * HB3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 98 98 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-3.0 2.9=100 HB3 LYS 26 + HG2 LYS 26 OK 81 81 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 31 OK 39 99 40 98 3.6-16.1 1.8/823=7, 989=7...(163) HB3 LYS 31 + HG2 LYS 26 OK 33 83 40 98 2.5-17.3 1.8/628=7, 619=7, ~639=7...(147) HB3 LYS 19 + HG3 LYS 24 OK 25 97 30 85 2.0-15.5 1.8/525=5, 3.0/282=4...(92) HB ILE 32 - HG2 LYS 26 poor 17 81 25 85 3.7-17.7 3.0/892=15, ~10704=10...(44) HB3 ARG 23 - HG2 LYS 26 poor 15 77 40 47 2.0-12.6 442/6252=7, ~834=2...(18) HB3 ARG 23 - HG2 LYS 31 far 14 97 15 - 4.4-18.6 HB3 LYS 31 - HG3 LYS 19 far 10 98 10 - 4.5-27.7 HB3 LYS 24 - HG3 LYS 19 far 10 98 10 - 3.9-16.0 HB3 LYS 24 - HG2 LYS 26 far 8 83 10 - 5.5-11.9 HB2 LYS 36 - HG2 LYS 26 far 8 82 10 - 4.0-27.3 HB3 LYS 19 - HG2 LYS 31 far 5 100 5 - 4.2-25.3 HB3 LYS 24 - HG2 LYS 31 far 5 100 5 - 4.5-18.4 HB2 LYS 36 - HG2 LYS 31 far 5 100 5 - 3.7-16.4 HB3 LYS 31 - HG3 LYS 24 far 5 97 5 - 5.0-17.6 HB2 LYS 36 - HG3 LYS 24 far 5 96 5 - 5.5-27.7 HB3 LYS 26 - HG3 LYS 19 far 5 96 5 - 5.6-24.0 HB3 LYS 26 - HG3 LYS 24 far 5 95 5 - 3.6-11.7 HB3 LEU 98 - HG3 LYS 24 far 3 60 5 - 3.0-34.9 HB3 ARG 23 - HG3 LYS 24 far 0 92 0 - 6.1-8.0 HB ILE 32 - HG2 LYS 31 far 0 99 0 - 6.4-8.5 HB3 LYS 19 - HG2 LYS 26 far 0 83 0 - 6.8-23.3 HB ILE 32 - HG3 LYS 24 far 0 96 0 - 6.8-18.6 HB2 CYS 79 - HG3 LYS 19 far 0 61 0 - 7.5-38.9 HB3 LEU 122 - HG3 LYS 24 far 0 81 0 - 7.8-29.5 HB3 ARG 23 - HG3 LYS 19 far 0 93 0 - 8.1-15.4 HB3 LEU 103 - HG2 LYS 26 far 0 64 0 - 8.4-24.6 HB3 LEU 98 - HG2 LYS 26 far 0 48 0 - 8.7-28.6 HB2 LEU 100 - HG2 LYS 26 far 0 78 0 - 9.8-23.7 HB ILE 32 - HG3 LYS 19 far 0 96 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 825 from cnoeabs.peaks (1.44, 1.44, 24.73 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 HG3 LYS 19 + HG3 LYS 19 OK 98 98 - 100 HG3 LYS 24 + HG3 LYS 24 OK 97 97 - 100 HG2 LYS 26 + HG2 LYS 26 OK 79 79 - 100 Peak 826 from cnoeabs.peaks (1.39, 1.44, 24.73 ppm; 2.50 A): 4 out of 52 assignments used, quality = 1.00: * HG3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 92 92 100 100 1.8-1.8 1.8=100 HG3 LYS 26 + HG2 LYS 26 OK 79 79 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 64 64 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 31 far 15 99 15 - 2.8-9.3 QB ALA 15 - HG2 LYS 31 far 5 99 5 - 2.6-22.0 HG3 LYS 26 - HG2 LYS 31 far 5 98 5 - 3.8-16.9 QB ALA 108 - HG3 LYS 24 far 5 96 5 - 3.1-32.2 QB ALA 15 - HG3 LYS 19 far 5 95 5 - 2.8-13.3 QB ALA 28 - HG3 LYS 24 far 5 95 5 - 3.9-12.7 QB ALA 15 - HG3 LYS 24 far 5 95 5 - 2.8-17.3 QB ALA 29 - HG3 LYS 24 far 5 93 5 - 3.5-13.3 QB ALA 16 - HG3 LYS 19 far 4 89 5 - 3.6-10.3 HG2 LYS 19 - HG3 LYS 24 far 3 63 5 - 2.1-17.9 HG2 LYS 24 - HG3 LYS 19 far 0 93 0 - 4.1-17.9 QB ALA 110 - HG2 LYS 26 far 0 80 0 - 4.2-29.3 QB ALA 16 - HG2 LYS 31 far 0 93 0 - 4.4-24.2 HG3 LYS 26 - HG3 LYS 24 far 0 94 0 - 4.4-11.5 HG3 LYS 31 - HG3 LYS 19 far 0 98 0 - 4.5-25.5 QB ALA 29 - HG2 LYS 31 far 0 97 0 - 4.5-9.2 QB ALA 28 - HG3 LYS 19 far 0 96 0 - 4.5-20.6 HG3 LYS 31 - HG2 LYS 26 far 0 83 0 - 4.7-16.4 HG2 LYS 24 - HG2 LYS 26 far 0 77 0 - 4.7-11.2 QB ALA 34 - HG3 LYS 24 far 0 58 0 - 4.7-21.9 QB ALA 108 - HG2 LYS 26 far 0 81 0 - 4.8-24.8 QB ALA 16 - HG3 LYS 24 far 0 88 0 - 4.9-17.0 HG3 LYS 95 - HG3 LYS 24 far 0 96 0 - 5.2-35.5 QB ALA 34 - HG2 LYS 26 far 0 46 0 - 5.2-19.2 HG2 LYS 24 - HG2 LYS 31 far 0 97 0 - 5.6-17.7 HG2 LYS 19 - HG2 LYS 31 far 0 68 0 - 5.6-25.5 QB ALA 109 - HG2 LYS 26 far 0 83 0 - 5.6-28.0 HG3 LYS 31 - HG3 LYS 24 far 0 97 0 - 5.7-17.0 QB ALA 28 - HG2 LYS 26 far 0 81 0 - 5.9-8.4 QB ALA 29 - HG2 LYS 26 far 0 78 0 - 6.0-10.1 QB ALA 109 - HG3 LYS 19 far 0 98 0 - 6.0-42.7 HG2 LYS 36 - HG3 LYS 24 far 0 93 0 - 6.1-25.7 HG2 LYS 95 - HG3 LYS 24 far 0 97 0 - 6.2-35.3 HG2 LYS 36 - HG2 LYS 31 far 0 97 0 - 6.3-14.0 HG2 LYS 36 - HG2 LYS 26 far 0 78 0 - 6.3-25.0 QB ALA 110 - HG3 LYS 19 far 0 95 0 - 7.3-45.2 QB ALA 109 - HG3 LYS 24 far 0 97 0 - 7.4-33.8 QB ALA 29 - HG3 LYS 19 far 0 94 0 - 7.7-21.6 HG3 LYS 26 - HG3 LYS 19 far 0 94 0 - 7.8-23.7 HG2 LYS 36 - HG3 LYS 19 far 0 94 0 - 8.2-34.3 QB ALA 15 - HG2 LYS 26 far 0 80 0 - 8.2-21.4 HG2 LYS 19 - HG2 LYS 26 far 0 50 0 - 8.7-25.7 QB ALA 108 - HG2 LYS 31 far 0 99 0 - 8.8-25.8 QB ALA 108 - HG3 LYS 19 far 0 96 0 - 8.8-41.7 QB ALA 34 - HG2 LYS 31 far 0 63 0 - 8.8-12.3 QB ALA 16 - HG2 LYS 26 far 0 73 0 - 9.4-22.0 QB ALA 110 - HG3 LYS 24 far 0 95 0 - 9.6-37.0 QB ALA 34 - HG3 LYS 19 far 0 59 0 - 10.0-30.4 Violated in 0 structures by 0.00 A. Peak 827 from cnoeabs.peaks (1.66, 1.44, 24.73 ppm; 5.04 A): 14 out of 45 assignments used, quality = 1.00: * HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG2 LYS 31 OK 45 100 45 100 4.2-17.6 3.5/823=6, 6336/5.0=5...(228) HD2 LYS 26 + HG2 LYS 31 OK 40 100 40 100 3.5-18.0 3.5/823=6, 3.5/989=5...(233) HD2 LYS 24 + HG3 LYS 19 OK 28 98 30 95 4.4-17.3 2631/3.0=4, ~823=3...(156) HD3 LYS 24 + HG3 LYS 19 OK 27 98 30 92 4.4-17.3 2632/3.0=3, ~823=3...(123) HD2 LYS 19 + HG3 LYS 24 OK 22 91 35 70 2.7-16.7 3.9/525=4, 5.2/282=3...(10) HD3 LYS 31 + HG2 LYS 26 OK 21 83 25 99 4.2-16.2 3.5/629=7, 3.5/628=6...(214) HD3 LYS 19 - HG3 LYS 24 poor 20 91 30 73 2.0-17.8 3.9/525=4, 5.2/282=3...(11) HD2 LYS 31 - HG2 LYS 26 poor 17 83 20 - 5.0-16.2 HD2 LYS 36 - HG2 LYS 26 poor 16 79 20 - 5.1-23.1 HD3 LYS 24 - HG2 LYS 26 far 12 83 15 - 3.7-12.2 HD3 LYS 36 - HG2 LYS 26 far 12 79 15 - 5.7-24.0 HD2 LYS 24 - HG2 LYS 31 far 10 100 10 - 5.5-17.2 HD3 LYS 24 - HG2 LYS 31 far 10 100 10 - 6.0-17.5 HD2 LYS 36 - HG2 LYS 31 far 10 98 10 - 6.0-13.4 HD2 LYS 24 - HG2 LYS 26 far 8 83 10 - 5.1-12.8 HD3 LYS 36 - HG2 LYS 31 far 5 98 5 - 5.3-13.7 HD3 LYS 31 - HG3 LYS 19 far 5 98 5 - 6.4-26.0 HD2 LYS 26 - HG3 LYS 24 far 5 97 5 - 6.0-12.8 HD3 LYS 26 - HG3 LYS 24 far 5 97 5 - 5.9-11.9 HD3 LYS 19 - HG2 LYS 31 far 5 96 5 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 5 96 5 - 5.7-26.4 HB2 LEU 98 - HG3 LYS 24 far 5 94 5 - 3.2-36.3 HD2 LYS 36 - HG3 LYS 24 far 5 94 5 - 5.1-23.7 HD3 LYS 36 - HG3 LYS 24 far 5 94 5 - 6.1-24.1 HD2 LYS 31 - HG3 LYS 24 far 0 97 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 98 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 79 0 - 7.1-30.0 HB2 LEU 69 - HG2 LYS 31 far 0 99 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 97 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 97 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 95 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 98 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 83 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 76 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 76 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 74 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 828 from cnoeabs.peaks (1.66, 1.44, 24.73 ppm; 5.05 A): 15 out of 45 assignments used, quality = 1.00: * HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG2 LYS 31 OK 45 100 45 100 4.2-17.6 3.5/823=6, 6336/5.0=6...(228) HD2 LYS 26 + HG2 LYS 31 OK 40 100 40 100 3.5-18.0 3.5/823=6, 3.5/989=6...(233) HD2 LYS 24 + HG3 LYS 19 OK 28 98 30 95 4.4-17.3 2631/3.0=4, ~823=3...(156) HD3 LYS 24 + HG3 LYS 19 OK 27 98 30 92 4.4-17.3 2632/3.0=4, ~823=3...(123) HD2 LYS 19 + HG3 LYS 24 OK 22 92 35 70 2.7-16.7 3.9/525=4, 5.2/282=3...(10) HD3 LYS 31 + HG2 LYS 26 OK 21 83 25 99 4.2-16.2 3.5/629=7, 3.5/628=6...(214) HD3 LYS 19 + HG3 LYS 24 OK 20 92 30 73 2.0-17.8 3.9/525=4, 5.2/282=3...(12) HD2 LYS 31 - HG2 LYS 26 poor 17 83 20 - 5.0-16.2 HD2 LYS 36 - HG2 LYS 26 poor 16 78 20 - 5.1-23.1 HD3 LYS 24 - HG2 LYS 26 far 12 83 15 - 3.7-12.2 HD3 LYS 36 - HG2 LYS 26 far 12 78 15 - 5.7-24.0 HD2 LYS 24 - HG2 LYS 31 far 10 100 10 - 5.5-17.2 HD3 LYS 24 - HG2 LYS 31 far 10 100 10 - 6.0-17.5 HD2 LYS 36 - HG2 LYS 31 far 10 97 10 - 6.0-13.4 HD2 LYS 24 - HG2 LYS 26 far 8 83 10 - 5.1-12.8 HD3 LYS 31 - HG3 LYS 19 far 5 98 5 - 6.4-26.0 HD3 LYS 36 - HG2 LYS 31 far 5 97 5 - 5.3-13.7 HD2 LYS 26 - HG3 LYS 24 far 5 97 5 - 6.0-12.8 HD3 LYS 26 - HG3 LYS 24 far 5 97 5 - 5.9-11.9 HD3 LYS 19 - HG2 LYS 31 far 5 97 5 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 5 97 5 - 5.7-26.4 HB2 LEU 98 - HG3 LYS 24 far 5 95 5 - 3.2-36.3 HD2 LYS 36 - HG3 LYS 24 far 5 93 5 - 5.1-23.7 HD3 LYS 36 - HG3 LYS 24 far 5 93 5 - 6.1-24.1 HD2 LYS 31 - HG3 LYS 24 far 0 97 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 98 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 80 0 - 7.1-30.0 HB2 LEU 69 - HG2 LYS 31 far 0 98 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 97 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 98 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 97 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 96 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 98 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 81 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 77 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 77 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 76 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 829 from cnoeabs.peaks (2.96, 1.44, 24.73 ppm; 6.80 A): 16 out of 41 assignments used, quality = 1.00: * HE2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-4.1 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 19 + HG3 LYS 19 OK 98 98 100 100 2.3-3.8 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 97 97 100 100 2.2-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.3-4.0 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 94 94 100 100 2.0-3.9 4.0=100 HE2 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.0-4.0 3.6=100 HE2 LYS 26 + HG2 LYS 31 OK 50 100 50 99 3.8-19.7 6338/5.0=8, 4.8/823=7...(190) HE3 LYS 26 + HG2 LYS 31 OK 45 100 45 100 5.3-19.4 6338/5.0=8, 4.8/823=7...(192) HE2 LYS 31 + HG2 LYS 26 OK 40 83 50 96 5.4-15.0 4.8/629=8, 7.1/821=7...(159) HE3 LYS 31 + HG2 LYS 26 OK 40 83 50 97 6.0-14.4 4.8/629=8, 7.1/821=7...(159) HE3 LYS 24 + HG3 LYS 19 OK 38 97 40 96 4.8-19.1 2634/3.0=5, 1228/3.0=4...(177) HE2 LYS 24 + HG3 LYS 19 OK 32 94 35 98 3.4-18.5 ~1228=5, ~1217=5...(179) HE3 LYS 19 + HG3 LYS 24 OK 32 97 40 82 4.5-18.1 5.1/525=5, 6.4/282=4...(81) HE2 LYS 19 + HG3 LYS 24 OK 31 96 40 82 3.7-17.8 5.1/525=5, 6.4/282=4...(81) HE2 LYS 36 - HG2 LYS 31 poor 20 99 20 - 4.9-14.4 HE2 LYS 24 - HG2 LYS 31 poor 20 98 20 - 3.3-18.4 HE3 LYS 26 - HG3 LYS 24 poor 19 97 20 - 6.5-13.4 HE3 LYS 24 - HG2 LYS 26 poor 17 83 20 - 6.0-13.5 HE2 LYS 24 - HG2 LYS 26 poor 16 79 20 - 5.9-13.2 HE3 LYS 24 - HG2 LYS 31 far 15 100 15 - 4.0-19.0 HE3 LYS 19 - HG2 LYS 31 far 15 100 15 - 7.3-26.2 HE3 LYS 36 - HG2 LYS 31 poor 10 100 30 32 5.4-14.2 6337/5.0=4, 2634/3.0=1 HE2 LYS 31 - HG3 LYS 19 far 10 98 10 - 7.5-27.6 HB2 CYS 45 - HG2 LYS 26 far 9 58 15 - 8.1-25.2 HE2 LYS 36 - HG2 LYS 26 poor 8 81 35 28 4.1-24.5 10766/908=2 HE3 LYS 36 - HG2 LYS 26 poor 8 83 40 23 3.8-24.9 10757/908=2 HE2 LYS 26 - HG3 LYS 24 poor 8 97 35 22 6.7-12.9 7.1/523=3, 9587/1018=1 HE2 LYS 19 - HG2 LYS 31 far 5 99 5 - 7.9-25.9 HE3 LYS 31 - HG3 LYS 19 far 5 97 5 - 7.1-28.4 HE3 LYS 36 - HG3 LYS 24 far 5 97 5 - 4.8-25.5 HE2 LYS 26 - HG3 LYS 19 far 5 97 5 - 8.0-25.3 HE3 LYS 31 - HG3 LYS 24 far 5 97 5 - 8.2-17.8 HE2 LYS 36 - HG3 LYS 24 far 5 95 5 - 3.2-24.6 HB3 ASN 121 - HG3 LYS 24 far 5 93 5 - 7.1-33.6 HB2 CYS 45 - HG2 LYS 31 far 4 78 5 - 7.2-18.6 HE2 LYS 31 - HG3 LYS 24 far 0 97 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 73 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 97 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 830 from cnoeabs.peaks (2.97, 1.44, 24.73 ppm; 6.80 A): 16 out of 41 assignments used, quality = 1.00: * HE3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-4.1 3.7=100 HE3 LYS 19 + HG3 LYS 19 OK 97 97 100 100 2.3-3.8 3.8=100 HE3 LYS 24 + HG3 LYS 24 OK 96 96 100 100 2.2-4.2 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.3-4.0 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 91 91 100 100 2.0-3.9 4.0=100 HE2 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 83 83 100 100 2.0-4.0 3.6=100 HE2 LYS 26 + HG2 LYS 31 OK 50 100 50 99 3.8-19.7 6338/5.0=8, 4.8/823=7...(190) HE3 LYS 26 + HG2 LYS 31 OK 45 100 45 100 5.3-19.4 6338/5.0=8, 4.8/823=7...(192) HE3 LYS 31 + HG2 LYS 26 OK 40 83 50 97 6.0-14.4 4.8/629=8, 7.1/821=7...(159) HE2 LYS 31 + HG2 LYS 26 OK 40 83 50 96 5.4-15.0 4.8/629=8, 7.1/821=7...(159) HE3 LYS 24 + HG3 LYS 19 OK 37 96 40 96 4.8-19.1 2634/3.0=5, 11770/4.2=4...(177) HE3 LYS 19 + HG3 LYS 24 OK 32 97 40 82 4.5-18.1 5.1/525=5, 6.4/282=4...(81) HE2 LYS 24 + HG3 LYS 19 OK 31 92 35 98 3.4-18.5 ~1228=5, ~1217=5...(179) HE2 LYS 19 + HG3 LYS 24 OK 31 94 40 82 3.7-17.8 5.1/525=5, 6.4/282=4...(81) HE2 LYS 36 - HG2 LYS 31 poor 19 97 20 - 4.9-14.4 HE3 LYS 26 - HG3 LYS 24 poor 19 97 20 - 6.5-13.4 HE2 LYS 24 - HG2 LYS 31 poor 19 96 20 - 3.3-18.4 HE3 LYS 24 - HG2 LYS 26 poor 16 81 20 - 6.0-13.5 HE2 LYS 24 - HG2 LYS 26 poor 15 76 20 - 5.9-13.2 HE3 LYS 19 - HG2 LYS 31 far 15 100 15 - 7.3-26.2 HE3 LYS 24 - HG2 LYS 31 far 15 99 15 - 4.0-19.0 HE3 LYS 36 - HG2 LYS 31 poor 10 99 30 32 5.4-14.2 6337/5.0=4, 2634/3.0=1 HE2 LYS 31 - HG3 LYS 19 far 10 97 10 - 7.5-27.6 HB2 CYS 45 - HG2 LYS 26 far 8 52 15 - 8.1-25.2 HE2 LYS 36 - HG2 LYS 26 poor 8 78 35 28 4.1-24.5 10766/908=2 HE2 LYS 26 - HG3 LYS 24 poor 8 97 35 22 6.7-12.9 7.1/523=3, 9587/1018=1 HE3 LYS 36 - HG2 LYS 26 poor 7 81 40 23 3.8-24.9 10757/908=2 HE2 LYS 19 - HG2 LYS 31 far 5 98 5 - 7.9-25.9 HE3 LYS 31 - HG3 LYS 19 far 5 98 5 - 7.1-28.4 HE2 LYS 26 - HG3 LYS 19 far 5 98 5 - 8.0-25.3 HE3 LYS 31 - HG3 LYS 24 far 5 97 5 - 8.2-17.8 HE3 LYS 36 - HG3 LYS 24 far 5 96 5 - 4.8-25.5 HB3 ASN 121 - HG3 LYS 24 far 5 95 5 - 7.1-33.6 HE2 LYS 36 - HG3 LYS 24 far 5 93 5 - 3.2-24.6 HB2 CYS 45 - HG2 LYS 31 far 4 71 5 - 7.2-18.6 HE2 LYS 31 - HG3 LYS 24 far 0 97 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 98 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 66 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 96 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 831 from cnoeabs.peaks (8.14, 1.44, 24.73 ppm; 6.04 A): 3 out of 14 assignments used, quality = 1.00: * H ILE 32 + HG2 LYS 31 OK 100 100 100 100 3.8-6.0 6342/3.8=93, 809/3.0=76...(13) H LEU 22 + HG3 LYS 24 OK 48 95 75 68 3.8-8.9 4.6/821=16, 842/1.8=16...(18) H ILE 32 + HG2 LYS 26 OK 40 83 55 87 2.6-15.3 6343/3.0=24, 798/4.0=21...(20) H LEU 22 - HG2 LYS 26 poor 16 80 20 - 5.8-15.0 H ALA 15 - HG2 LYS 31 far 15 100 15 - 5.1-26.6 H LEU 22 - HG3 LYS 19 poor 11 95 35 34 6.5-10.4 6192/10712=24, 798/4.2=6 H LEU 22 - HG2 LYS 31 far 5 99 5 - 6.9-20.1 H ILE 32 - HG3 LYS 19 far 5 98 5 - 7.0-26.9 H ALA 15 - HG3 LYS 24 far 5 97 5 - 4.9-23.1 H ALA 15 - HG3 LYS 19 lone 1 98 50 2 4.3-15.5 H ASN 121 - HG3 LYS 24 far 0 79 0 - 8.8-33.0 H ILE 32 - HG3 LYS 24 far 0 97 0 - 8.8-17.1 H ASP 71 - HG2 LYS 31 far 0 100 0 - 9.6-18.2 H ASP 71 - HG2 LYS 26 far 0 83 0 - 10.0-20.6 Violated in 0 structures by 0.00 A. Peak 832 from cnoeabs.peaks (8.23, 1.39, 24.73 ppm; 4.90 A): 5 out of 23 assignments used, quality = 1.00: * H LYS 31 + HG3 LYS 31 OK 100 100 100 100 1.7-4.8 5.0=97, 6331/3.0=88...(48) H SER 33 + HG2 LYS 36 OK 80 81 100 99 1.9-5.6 10896/6394=62...(20) H ARG 23 + HG2 LYS 24 OK 66 78 90 93 3.7-7.4 6211/6222=81, 821/1.8=18...(22) H GLU 30 + HG3 LYS 31 OK 35 60 80 73 3.1-7.0 4.6/6334=28...(16) H LYS 31 + HG3 LYS 26 OK 32 83 50 77 2.8-13.2 799/3.0=11, 821/1.8=10...(44) H SER 33 - HG3 LYS 31 poor 20 100 20 - 3.8-9.0 H GLU 30 - HG3 LYS 26 poor 20 43 45 - 4.1-11.0 H ARG 23 - HG3 LYS 26 poor 19 76 25 - 4.4-12.1 H ALA 29 - HG3 LYS 26 poor 18 71 55 45 3.7-9.7 ~10733=24, 10788/10762=7...(9) H SER 33 - HG3 LYS 26 poor 13 83 45 35 1.9-19.2 4.6/6346=7, 6365/10704=6...(10) H ALA 29 - HG3 LYS 31 poor 12 92 25 50 4.6-9.3 ~10782=26, 6339/6346=5...(10) H SER 33 - HG2 LYS 24 far 4 86 5 - 5.5-22.3 H ALA 29 - HG2 LYS 24 far 0 74 0 - 6.4-13.1 H ARG 23 - HG3 LYS 31 far 0 96 0 - 6.6-17.7 H LYS 31 - HG2 LYS 24 far 0 86 0 - 7.1-17.0 H ARG 23 - HG2 LYS 36 far 0 73 0 - 7.5-27.2 H GLU 30 - HG2 LYS 24 far 0 45 0 - 7.6-14.9 H SER 107 - HG3 LYS 26 far 0 83 0 - 7.7-28.8 H SER 107 - HG3 LYS 31 far 0 100 0 - 7.7-28.0 H LYS 31 - HG2 LYS 36 far 0 81 0 - 8.1-12.6 H ALA 29 - HG2 LYS 36 far 0 69 0 - 8.1-15.6 H GLU 30 - HG2 LYS 36 far 0 42 0 - 8.8-14.0 H SER 107 - HG2 LYS 24 far 0 86 0 - 9.7-37.0 Violated in 0 structures by 0.00 A. Peak 833 from cnoeabs.peaks (4.28, 1.39, 24.73 ppm; 4.56 A): 9 out of 57 assignments used, quality = 1.00: * HA LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.2 3.8=100 HA LYS 36 + HG2 LYS 36 OK 81 81 100 100 2.3-3.8 4.1=100 HA LYS 26 + HG3 LYS 26 OK 80 80 100 100 2.6-3.9 4.0=100 HA THR 25 + HG3 LYS 26 OK 57 73 80 98 3.0-7.7 582/6253=66, 11150=31...(23) HA ARG 23 + HG2 LYS 24 OK 56 82 75 91 4.1-6.9 424/6222=78...(17) HA THR 25 + HG2 LYS 24 OK 41 76 55 99 3.0-6.9 3.0/6234=57...(28) HA LYS 19 + HG2 LYS 24 OK 28 81 40 86 2.2-15.3 822/1.8=6, 793=6...(59) HA LEU 22 + HG2 LYS 24 OK 24 82 55 54 2.7-8.4 6212/6222=16...(11) HA LYS 26 + HG3 LYS 31 OK 22 99 25 91 2.3-14.5 790/3.0=8, 822/1.8=7...(91) HA THR 25 - HG3 LYS 31 poor 19 93 20 - 3.6-15.1 HA LYS 31 - HG3 LYS 26 poor 17 83 20 - 4.5-16.0 HA ARG 23 - HG3 LYS 26 poor 17 79 35 60 2.4-10.6 4.9/10729=26...(19) HA ARG 23 - HG3 LYS 31 far 15 98 15 - 5.1-16.2 HA ALA 16 - HG3 LYS 31 far 10 100 10 - 5.0-27.2 HA LYS 19 - HG3 LYS 31 far 10 97 10 - 5.5-23.5 HA THR 18 - HG3 LYS 31 far 9 92 10 - 3.2-23.1 HA LYS 36 - HG3 LYS 26 far 8 83 10 - 4.9-27.4 HA LYS 36 - HG3 LYS 31 far 5 100 5 - 5.9-16.7 HA ALA 15 - HG3 LYS 31 far 5 99 5 - 5.0-26.0 HA ALA 108 - HG2 LYS 24 far 4 86 5 - 5.9-39.9 HA ALA 109 - HG3 LYS 26 far 4 83 5 - 6.0-34.4 HA GLN 61 - HG3 LYS 26 far 4 82 5 - 2.5-25.1 HA LYS 26 - HG2 LYS 24 far 4 83 5 - 4.2-10.1 HA THR 18 - HG2 LYS 24 far 4 74 5 - 3.6-15.8 HA ALA 21 - HG2 LYS 36 far 4 72 5 - 4.7-28.9 HA THR 18 - HG2 LYS 36 far 3 69 5 - 4.1-34.5 HA ALA 21 - HG2 LYS 24 lone 3 77 40 9 2.3-10.7 3.6/842=7 HA ALA 15 - HG2 LYS 24 far 0 83 0 - 6.3-22.5 HA LYS 19 - HG2 LYS 36 far 0 76 0 - 6.5-33.1 HA LEU 22 - HG3 LYS 26 far 0 79 0 - 6.5-13.0 HA ALA 16 - HG2 LYS 36 far 0 81 0 - 6.5-33.7 HA LYS 31 - HG2 LYS 24 far 0 86 0 - 6.7-19.6 HA GLN 61 - HG2 LYS 24 far 0 85 0 - 6.9-23.9 HA LYS 36 - HG2 LYS 24 far 0 86 0 - 7.0-29.4 HA ALA 109 - HG2 LYS 24 far 0 86 0 - 7.0-42.1 HA LYS 31 - HG2 LYS 36 far 0 81 0 - 7.1-11.7 HA ALA 12 - HG3 LYS 31 far 0 99 0 - 7.2-27.9 HA THR 25 - HG2 LYS 36 far 0 71 0 - 7.3-23.3 HA LYS 26 - HG2 LYS 36 far 0 78 0 - 7.4-22.3 HA ALA 108 - HG3 LYS 26 far 0 83 0 - 7.5-32.5 HA GLN 61 - HG3 LYS 31 far 0 100 0 - 7.6-22.6 HA ALA 15 - HG3 LYS 26 far 0 80 0 - 7.7-25.9 HA ALA 110 - HG3 LYS 26 far 0 81 0 - 7.7-35.7 HA LEU 22 - HG3 LYS 31 far 0 98 0 - 7.8-18.5 HA ALA 21 - HG3 LYS 26 far 0 74 0 - 7.8-15.9 HA ALA 108 - HG3 LYS 31 far 0 100 0 - 7.9-31.1 HA LYS 19 - HG3 LYS 26 far 0 78 0 - 8.0-21.2 HA ALA 15 - HG2 LYS 36 far 0 78 0 - 8.0-30.5 HA ALA 16 - HG2 LYS 24 far 0 86 0 - 8.0-20.4 HA ALA 12 - HG2 LYS 24 far 0 83 0 - 8.0-22.3 HA ARG 23 - HG2 LYS 36 far 0 77 0 - 8.2-26.0 HA SER 74 - HG3 LYS 31 far 0 93 0 - 8.3-24.6 HA ALA 21 - HG3 LYS 31 far 0 95 0 - 8.3-20.2 HA LEU 22 - HG2 LYS 36 far 0 77 0 - 9.0-29.7 HA GLN 61 - HG2 LYS 36 far 0 80 0 - 9.6-21.9 HA ALA 110 - HG2 LYS 24 far 0 83 0 - 9.8-43.7 HA ALA 16 - HG3 LYS 26 far 0 83 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 834 from cnoeabs.peaks (1.74, 1.39, 24.73 ppm; 5.31 A): 7 out of 25 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 85 85 100 100 2.2-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 81 81 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG3 LYS 31 OK 49 99 50 100 3.1-14.0 799/5.0=9, 823/1.8=8...(188) HB2 ARG 23 + HG2 LYS 24 OK 47 78 65 92 4.4-8.4 4.2/6222=77, 481/483=16...(21) HB2 LYS 31 + HG3 LYS 26 OK 46 83 55 100 2.0-14.6 804=9, ~629=9, 628/1.8=9...(217) HB2 ARG 23 + HG3 LYS 26 OK 24 76 40 78 3.9-12.1 3.7/10729=43, 433/6253=6...(39) HB2 LYS 24 - HG3 LYS 31 poor 20 100 20 - 3.7-17.1 HB2 LYS 19 - HG2 LYS 24 poor 20 83 25 96 3.7-16.8 823/1.8=6, 3.0/793=5...(134) HB2 LYS 24 - HG3 LYS 26 poor 11 82 40 35 5.4-11.1 6232/522=18...(3) HB2 LYS 19 - HG3 LYS 31 far 10 99 10 - 2.7-23.1 HB2 ARG 23 - HG3 LYS 31 far 10 96 10 - 4.2-17.9 HB2 LYS 31 - HG2 LYS 24 far 9 86 10 - 5.6-19.7 HB2 LYS 26 - HG2 LYS 24 far 8 83 10 - 2.2-11.2 HB2 LYS 31 - HG2 LYS 36 far 4 81 5 - 6.5-12.1 HB2 LYS 19 - HG3 LYS 26 far 4 81 5 - 6.0-22.5 HB2 LYS 24 - HG2 LYS 36 far 4 80 5 - 4.2-27.3 HB2 LYS 26 - HG2 LYS 36 far 4 78 5 - 5.5-22.8 HB2 ARG 23 - HG2 LYS 36 far 0 73 0 - 6.8-24.5 HB2 LYS 19 - HG2 LYS 36 far 0 78 0 - 7.3-32.2 HB2 LYS 39 - HG2 LYS 24 far 0 69 0 - 8.0-31.6 HB2 LEU 43 - HG2 LYS 24 far 0 72 0 - 8.6-30.2 HB3 LEU 70 - HG2 LYS 36 far 0 42 0 - 8.9-15.5 HB2 LYS 39 - HG2 LYS 36 far 0 64 0 - 9.5-14.0 HB2 LEU 43 - HG2 LYS 36 far 0 67 0 - 9.7-17.3 Violated in 0 structures by 0.00 A. Peak 835 from cnoeabs.peaks (1.81, 1.39, 24.73 ppm; 4.22 A): 8 out of 33 assignments used, quality = 1.00: * HB3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.3-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 81 81 100 100 2.3-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 26 OK 36 83 45 96 2.2-16.3 1.8/804=8, 815=6...(125) HB3 LYS 26 + HG3 LYS 31 OK 34 99 35 97 3.3-14.9 620=6, 989/1.8=6...(150) HB ILE 32 + HG2 LYS 36 OK 31 79 40 100 3.5-7.7 ~10901=40, ~10810=36...(51) HB3 LYS 19 + HG2 LYS 24 OK 22 86 30 85 2.0-15.9 3.0/793=4, 989/1.8=4...(61) HB3 ARG 23 - HG3 LYS 26 poor 17 77 35 61 2.7-12.0 3.7/10729=29, 442/6253=5...(18) HB ILE 32 - HG3 LYS 26 poor 16 81 20 - 3.9-17.4 HB3 ARG 23 - HG3 LYS 31 far 14 97 15 - 4.3-17.8 HB3 ARG 23 - HG2 LYS 24 far 12 80 15 - 5.3-7.8 HB ILE 32 - HG3 LYS 31 far 10 99 10 - 4.7-8.2 HB2 LYS 36 - HG3 LYS 26 far 8 82 10 - 4.6-27.1 HB3 LYS 19 - HG3 LYS 31 far 5 100 5 - 3.7-24.3 HB3 LYS 24 - HG3 LYS 31 far 5 100 5 - 4.8-17.7 HB2 LYS 36 - HG3 LYS 31 far 5 100 5 - 3.8-16.2 HB3 LYS 31 - HG2 LYS 24 far 4 86 5 - 5.1-19.1 HB2 LYS 36 - HG2 LYS 24 far 4 85 5 - 5.6-29.5 HB3 LYS 26 - HG2 LYS 24 far 4 83 5 - 2.9-11.3 HB3 LYS 24 - HG3 LYS 26 far 4 83 5 - 5.4-11.5 HB3 LYS 24 - HG2 LYS 36 far 4 81 5 - 4.9-26.5 HB3 LEU 98 - HG2 LYS 24 far 2 50 5 - 4.6-35.1 HB3 ARG 23 - HG2 LYS 36 far 0 74 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 78 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 83 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 84 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 81 0 - 7.5-13.3 HB3 LYS 19 - HG2 LYS 36 far 0 81 0 - 8.2-32.7 HB3 LEU 98 - HG3 LYS 26 far 0 48 0 - 8.5-28.4 HB2 CYS 79 - HG2 LYS 36 far 0 46 0 - 8.7-18.1 HB3 LEU 122 - HG2 LYS 24 far 0 69 0 - 9.0-29.6 HB3 LEU 103 - HG3 LYS 26 far 0 64 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 836 from cnoeabs.peaks (1.44, 1.39, 24.73 ppm; 2.50 A): 4 out of 28 assignments used, quality = 1.00: * HG2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 85 85 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 79 79 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 50 50 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 8 83 10 - 2.6-15.5 HG13 ILE 32 - HG3 LYS 31 far 5 100 5 - 3.5-8.4 HG2 LYS 31 - HG3 LYS 26 far 4 83 5 - 3.8-16.9 HG3 LYS 36 - HG3 LYS 31 far 0 71 0 - 4.1-14.2 HG3 LYS 19 - HG2 LYS 24 far 0 86 0 - 4.1-17.9 HG3 LYS 24 - HG3 LYS 26 far 0 82 0 - 4.4-11.5 HG3 LYS 19 - HG3 LYS 31 far 0 100 0 - 4.5-25.5 HG2 LYS 26 - HG3 LYS 31 far 0 98 0 - 4.7-16.4 HG2 LYS 26 - HG2 LYS 24 far 0 82 0 - 4.7-11.2 QB ALA 34 - HG2 LYS 36 far 0 54 0 - 4.7-7.2 QB ALA 34 - HG2 LYS 24 far 0 59 0 - 5.4-22.7 HG3 LYS 36 - HG2 LYS 24 far 0 54 0 - 5.4-28.0 QB ALA 34 - HG3 LYS 26 far 0 56 0 - 5.5-19.0 HG13 ILE 32 - HG2 LYS 36 far 0 80 0 - 5.5-9.7 HG2 LYS 31 - HG2 LYS 24 far 0 86 0 - 5.6-17.7 HG3 LYS 24 - HG3 LYS 31 far 0 100 0 - 5.7-17.0 HG3 LYS 24 - HG2 LYS 36 far 0 80 0 - 6.1-25.7 HG3 LYS 36 - HG3 LYS 26 far 0 52 0 - 6.2-25.2 HG2 LYS 31 - HG2 LYS 36 far 0 81 0 - 6.3-14.0 HG2 LYS 26 - HG2 LYS 36 far 0 77 0 - 6.3-25.0 HG13 ILE 32 - HG2 LYS 24 far 0 86 0 - 7.5-18.3 QB ALA 34 - HG3 LYS 31 far 0 76 0 - 7.6-12.0 HG3 LYS 19 - HG3 LYS 26 far 0 83 0 - 7.8-23.7 HG3 LYS 19 - HG2 LYS 36 far 0 81 0 - 8.2-34.3 Violated in 0 structures by 0.00 A. Peak 837 from cnoeabs.peaks (1.39, 1.39, 24.73 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 80 80 - 100 HG3 LYS 26 + HG3 LYS 26 OK 79 79 - 100 HG2 LYS 36 + HG2 LYS 36 OK 76 76 - 100 Peak 838 from cnoeabs.peaks (1.66, 1.39, 24.73 ppm; 3.64 A): 8 out of 48 assignments used, quality = 1.00: * HD2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 77 77 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 77 77 100 100 2.3-3.0 3.0=100 HD3 LYS 19 - HG2 LYS 24 poor 16 78 20 - 2.1-17.8 HD3 LYS 31 - HG3 LYS 26 far 12 83 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 12 78 15 - 3.2-16.1 HD2 LYS 26 - HG3 LYS 31 far 10 100 10 - 4.8-17.0 HD2 LYS 36 - HG3 LYS 31 far 10 98 10 - 4.8-13.4 HD3 LYS 26 - HG3 LYS 31 far 5 100 5 - 3.0-16.8 HD3 LYS 36 - HG3 LYS 31 far 5 98 5 - 4.6-13.4 HD3 LYS 19 - HG3 LYS 31 far 5 96 5 - 4.1-26.6 HD2 LYS 19 - HG3 LYS 31 far 5 96 5 - 4.6-25.3 HD2 LYS 31 - HG3 LYS 26 far 4 83 5 - 3.6-15.7 HD3 LYS 24 - HG3 LYS 26 far 4 83 5 - 3.7-11.0 HB2 LEU 98 - HG2 LYS 24 far 4 82 5 - 4.9-36.4 HD3 LYS 26 - HG2 LYS 36 far 4 80 5 - 5.1-24.7 HD2 LYS 36 - HG3 LYS 26 far 4 79 5 - 4.8-22.9 HD3 LYS 26 - HG2 LYS 24 far 0 86 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 82 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 83 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 86 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 81 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 79 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 100 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 81 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 82 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 81 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 79 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 81 0 - 7.0-25.5 HD3 LYS 31 - HG2 LYS 24 far 0 86 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 86 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 78 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 71 0 - 7.3-32.7 HB2 LEU 69 - HG3 LYS 31 far 0 99 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 81 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 86 0 - 8.2-35.5 HD2 LYS 95 - HG2 LYS 24 far 0 83 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 64 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 76 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 76 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 73 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 74 0 - 9.4-23.3 Violated in 0 structures by 0.00 A. Peak 839 from cnoeabs.peaks (1.66, 1.39, 24.73 ppm; 3.64 A): 8 out of 48 assignments used, quality = 1.00: * HD3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.2-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.3-3.0 3.0=100 HD3 LYS 19 - HG2 LYS 24 poor 16 80 20 - 2.1-17.8 HD3 LYS 31 - HG3 LYS 26 far 12 83 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 12 80 15 - 3.2-16.1 HD2 LYS 26 - HG3 LYS 31 far 10 100 10 - 4.8-17.0 HD2 LYS 36 - HG3 LYS 31 far 10 97 10 - 4.8-13.4 HD3 LYS 26 - HG3 LYS 31 far 5 100 5 - 3.0-16.8 HD3 LYS 36 - HG3 LYS 31 far 5 97 5 - 4.6-13.4 HD3 LYS 19 - HG3 LYS 31 far 5 97 5 - 4.1-26.6 HD2 LYS 19 - HG3 LYS 31 far 5 97 5 - 4.6-25.3 HD3 LYS 24 - HG3 LYS 26 far 4 83 5 - 3.7-11.0 HD2 LYS 31 - HG3 LYS 26 far 4 83 5 - 3.6-15.7 HB2 LEU 98 - HG2 LYS 24 far 4 83 5 - 4.9-36.4 HD3 LYS 26 - HG2 LYS 36 far 4 81 5 - 5.1-24.7 HD2 LYS 36 - HG3 LYS 26 far 4 78 5 - 4.8-22.9 HD3 LYS 26 - HG2 LYS 24 far 0 86 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 81 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 83 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 86 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 81 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 78 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 100 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 81 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 81 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 81 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 80 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 81 0 - 7.0-25.5 HD3 LYS 31 - HG2 LYS 24 far 0 86 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 86 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 77 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 69 0 - 7.3-32.7 HB2 LEU 69 - HG3 LYS 31 far 0 98 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 81 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 86 0 - 8.2-35.5 HD2 LYS 95 - HG2 LYS 24 far 0 84 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 66 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 77 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 77 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 74 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 76 0 - 9.4-23.3 Violated in 0 structures by 0.00 A. Peak 840 from cnoeabs.peaks (2.96, 1.39, 24.73 ppm; 5.44 A): 10 out of 44 assignments used, quality = 1.00: * HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.4-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.1-4.1 3.6=100 HE2 LYS 24 + HG2 LYS 24 OK 82 82 100 100 2.0-3.9 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 80 80 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 78 78 100 100 2.6-4.2 4.0=100 HE3 LYS 26 + HG3 LYS 31 OK 24 100 25 97 4.8-18.3 4.8/834=6, 6338/5.0=5...(177) HE2 LYS 26 + HG3 LYS 31 OK 24 100 25 97 4.3-18.5 4.8/834=6, 6338/5.0=5...(177) HE3 LYS 36 - HG3 LYS 31 poor 20 100 20 - 4.5-14.3 HE2 LYS 36 - HG3 LYS 31 poor 20 99 20 - 4.3-14.3 HE3 LYS 26 - HG2 LYS 36 poor 19 80 30 79 5.1-26.6 1004/3.0=10, ~1004=8...(43) HE3 LYS 31 - HG3 LYS 26 poor 19 83 25 90 5.8-14.5 4.8/804=7, 4.8/835=5...(128) HE2 LYS 31 - HG3 LYS 26 poor 19 83 25 89 5.0-15.0 4.8/804=7, 4.8/835=5...(127) HB2 CYS 45 - HG2 LYS 36 poor 17 56 30 - 4.8-12.0 HE2 LYS 19 - HG2 LYS 24 poor 17 84 20 - 4.3-16.8 HE2 LYS 26 - HG2 LYS 36 poor 16 80 20 - 5.0-27.0 HE3 LYS 19 - HG2 LYS 24 poor 16 86 25 72 3.6-18.0 6.4/793=3, 5.1/835=3...(23) HE3 LYS 19 - HG3 LYS 31 far 10 100 10 - 6.4-26.3 HE2 LYS 24 - HG3 LYS 31 far 10 98 10 - 4.1-18.0 HE3 LYS 26 - HG2 LYS 24 far 9 86 10 - 5.4-12.1 HE2 LYS 26 - HG2 LYS 24 far 9 86 10 - 5.9-12.0 HE3 LYS 24 - HG3 LYS 26 far 8 83 10 - 5.5-12.7 HE2 LYS 31 - HG2 LYS 36 far 8 81 10 - 5.3-13.7 HE3 LYS 24 - HG3 LYS 31 far 5 100 5 - 5.2-18.7 HE2 LYS 19 - HG3 LYS 31 far 5 99 5 - 6.7-25.4 HE3 LYS 36 - HG2 LYS 24 far 4 86 5 - 5.7-27.3 HE3 LYS 31 - HG2 LYS 24 far 4 86 5 - 6.8-19.4 HE2 LYS 36 - HG2 LYS 24 far 4 83 5 - 4.2-26.3 HE2 LYS 36 - HG3 LYS 26 poor 4 81 25 20 4.6-24.5 9008/10704=3 HE3 LYS 31 - HG2 LYS 36 far 4 80 5 - 5.1-14.9 HE2 LYS 24 - HG3 LYS 26 far 4 79 5 - 5.0-12.3 HE2 LYS 24 - HG2 LYS 36 far 4 77 5 - 6.3-27.7 HE3 LYS 36 - HG3 LYS 26 lone 4 83 25 17 4.4-24.9 10804/10704=3 HG CYS 73 - HG2 LYS 36 far 2 44 5 - 6.4-14.5 HB3 ASN 121 - HG2 LYS 24 far 0 81 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 86 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 58 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 80 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 78 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 61 0 - 8.1-24.2 HE2 LYS 19 - HG2 LYS 36 far 0 79 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 81 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 841 from cnoeabs.peaks (2.97, 1.39, 24.73 ppm; 5.43 A): 10 out of 43 assignments used, quality = 1.00: * HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.4-4.2 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 84 84 100 100 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.1-4.1 3.6=100 HE3 LYS 36 + HG2 LYS 36 OK 79 79 100 100 2.0-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 78 78 100 100 2.0-3.9 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 76 76 100 100 2.6-4.2 4.0=100 HE3 LYS 26 + HG3 LYS 31 OK 24 100 25 97 4.8-18.3 4.8/834=6, 6338/5.0=5...(177) HE2 LYS 26 + HG3 LYS 31 OK 24 100 25 97 4.3-18.5 4.8/834=6, 6338/5.0=5...(177) HE3 LYS 36 - HG3 LYS 31 poor 20 99 20 - 4.5-14.3 HE2 LYS 36 - HG3 LYS 31 poor 19 97 20 - 4.3-14.3 HE2 LYS 36 - HG3 LYS 26 poor 19 78 25 - 4.6-24.5 HE3 LYS 26 - HG2 LYS 36 poor 19 81 30 79 5.1-26.6 1003/3.0=10, ~1004=8...(43) HE3 LYS 31 - HG3 LYS 26 poor 19 83 25 90 5.8-14.5 4.8/804=6, 4.8/835=5...(128) HE2 LYS 31 - HG3 LYS 26 poor 18 83 25 89 5.0-15.0 4.8/804=6, 4.8/835=5...(127) HE2 LYS 19 - HG2 LYS 24 poor 16 82 20 - 4.3-16.8 HE2 LYS 26 - HG2 LYS 36 poor 16 81 20 - 5.0-27.0 HE3 LYS 19 - HG2 LYS 24 poor 15 86 25 72 3.6-18.0 6.4/793=3, 5.1/835=3...(23) HB2 CYS 45 - HG2 LYS 36 poor 15 50 30 - 4.8-12.0 HE3 LYS 19 - HG3 LYS 31 far 10 100 10 - 6.4-26.3 HE2 LYS 24 - HG3 LYS 31 far 10 96 10 - 4.1-18.0 HE3 LYS 26 - HG2 LYS 24 far 9 86 10 - 5.4-12.1 HE2 LYS 26 - HG2 LYS 24 far 9 86 10 - 5.9-12.0 HE3 LYS 24 - HG3 LYS 26 far 8 81 10 - 5.5-12.7 HE2 LYS 31 - HG2 LYS 36 far 8 80 10 - 5.3-13.7 HE3 LYS 24 - HG3 LYS 31 far 5 99 5 - 5.2-18.7 HE2 LYS 19 - HG3 LYS 31 far 5 98 5 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 4 86 5 - 6.8-19.4 HE3 LYS 36 - HG2 LYS 24 far 4 84 5 - 5.7-27.3 HE3 LYS 31 - HG2 LYS 36 far 4 81 5 - 5.1-14.9 HE2 LYS 36 - HG2 LYS 24 far 4 81 5 - 4.2-26.3 HE2 LYS 24 - HG3 LYS 26 far 4 76 5 - 5.0-12.3 HE2 LYS 24 - HG2 LYS 36 far 4 73 5 - 6.3-27.7 HE3 LYS 36 - HG3 LYS 26 lone 3 81 25 17 4.4-24.9 10804/10704=3 HB3 ASN 121 - HG2 LYS 24 far 0 83 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 86 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 52 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 79 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 71 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 54 0 - 8.1-24.2 HE2 LYS 19 - HG2 LYS 36 far 0 77 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 80 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 842 from cnoeabs.peaks (8.14, 1.39, 24.73 ppm; 6.80 A): 4 out of 15 assignments used, quality = 1.00: * H ILE 32 + HG3 LYS 31 OK 100 100 100 100 2.5-5.8 6342/3.8=93, 809/3.0=77...(19) H LEU 22 + HG2 LYS 24 OK 60 83 95 77 3.7-9.3 831/1.8=23, 4.6/832=16...(25) H ILE 32 + HG2 LYS 36 OK 51 81 70 90 5.8-9.9 4.0/10900=41, 4.6/832=19...(12) H ILE 32 + HG3 LYS 26 OK 47 83 60 93 2.5-15.0 6343/3.0=25, 798/4.0=24...(22) H LEU 22 - HG3 LYS 26 poor 20 80 25 - 6.7-13.8 H ALA 15 - HG3 LYS 31 far 15 100 15 - 4.5-25.9 H LEU 22 - HG3 LYS 31 far 10 99 10 - 7.2-19.4 H ALA 15 - HG2 LYS 24 far 4 86 5 - 6.6-23.5 H ILE 32 - HG2 LYS 24 far 4 86 5 - 7.9-18.8 H ASP 71 - HG2 LYS 36 lone 4 80 35 14 6.3-12.0 6956/11040=4, ~2659=3...(4) H LEU 22 - HG2 LYS 36 far 4 78 5 - 6.9-29.0 H ASP 71 - HG3 LYS 31 far 0 100 0 - 8.6-17.4 H ASP 71 - HG3 LYS 26 far 0 83 0 - 8.7-20.0 H ASN 121 - HG2 LYS 24 far 0 67 0 - 8.9-33.3 H ALA 15 - HG2 LYS 36 far 0 81 0 - 9.2-32.9 Violated in 0 structures by 0.00 A. Peak 843 from cnoeabs.peaks (8.23, 1.66, 28.90 ppm; 4.49 A): 10 out of 55 assignments used, quality = 1.00: H LYS 31 + HD3 LYS 31 OK 100 100 100 100 1.9-5.5 6331/3.5=76, 6332/3.5=75...(71) * H LYS 31 + HD2 LYS 31 OK 95 100 95 100 2.9-6.0 6331/3.5=76, 6332/3.5=75...(71) H SER 33 + HD3 LYS 36 OK 93 94 100 99 1.7-5.7 10855=38, 10855/1.8=32...(23) H SER 33 + HD2 LYS 36 OK 88 94 95 99 1.8-6.2 3.0/10775=37, 10855=36...(24) H LYS 31 + HD2 LYS 26 OK 25 100 35 70 3.6-14.3 799/3.5=9, 6335=9...(39) H ARG 23 + HD2 LYS 24 OK 25 96 35 73 4.2-8.5 6211/5.9=38, 821/3.0=13...(19) H ARG 23 + HD3 LYS 24 OK 24 96 35 73 3.7-8.3 6211/5.9=38, 821/3.0=13...(19) H LYS 31 + HD3 LYS 26 OK 24 100 35 68 3.4-14.6 6336=9, 799/3.5=9...(33) H SER 33 + HD2 LYS 26 OK 22 100 45 50 3.0-19.9 6360/10763=10...(13) H SER 33 + HD3 LYS 26 OK 22 100 45 49 2.7-19.1 6360/10763=10, 10855=7...(13) H ALA 29 - HD2 LYS 26 poor 18 92 20 - 2.6-11.1 H ARG 23 - HD2 LYS 26 far 14 96 15 - 4.9-13.1 H ALA 29 - HD3 LYS 26 far 14 91 15 - 3.4-11.4 H ALA 29 - HD3 LYS 31 poor 12 92 30 45 4.2-9.8 ~10782=19, 4.6/10771=16...(9) H GLU 30 - HD3 LYS 31 poor 12 60 40 52 2.5-7.6 4.6/6335=17, 7749=6...(11) H ALA 29 - HD2 LYS 31 poor 11 92 25 49 3.6-10.4 4.6/10771=20, ~10782=19...(7) H GLU 30 - HD2 LYS 31 poor 11 60 35 51 3.2-8.5 4.6/6335=17, 832/2.9=6...(11) H ARG 23 - HD3 LYS 26 far 9 95 10 - 4.3-13.1 H GLU 30 - HD2 LYS 26 far 9 60 15 - 3.4-12.3 H GLU 30 - HD3 LYS 26 far 9 59 15 - 3.3-12.6 H SER 33 - HD2 LYS 31 far 5 100 5 - 5.9-9.8 H SER 33 - HD3 LYS 24 far 5 100 5 - 5.9-21.4 H SER 33 - HD3 LYS 31 far 5 100 5 - 6.0-9.8 H LYS 31 - HD3 LYS 19 far 4 87 5 - 3.2-26.4 H LYS 31 - HD2 LYS 19 far 4 87 5 - 3.9-25.1 H GLU 30 - HD3 LYS 19 far 2 46 5 - 4.5-24.5 H GLU 30 - HD2 LYS 19 far 2 46 5 - 5.6-23.7 H LYS 31 - HD2 LYS 36 far 0 94 0 - 6.3-11.0 H ARG 23 - HD3 LYS 19 far 0 79 0 - 6.3-14.2 H ARG 23 - HD2 LYS 19 far 0 79 0 - 6.4-12.5 H LYS 31 - HD2 LYS 24 far 0 100 0 - 6.4-15.5 H ALA 29 - HD3 LYS 24 far 0 92 0 - 6.6-12.6 H GLU 30 - HD2 LYS 36 far 0 52 0 - 6.6-12.4 H SER 107 - HD2 LYS 26 far 0 100 0 - 6.6-29.5 H GLU 30 - HD3 LYS 36 far 0 52 0 - 6.7-13.3 H ALA 29 - HD3 LYS 19 far 0 75 0 - 6.8-23.4 H ALA 29 - HD2 LYS 24 far 0 92 0 - 6.8-13.5 H GLU 30 - HD2 LYS 24 far 0 60 0 - 6.9-15.3 H ALA 29 - HD3 LYS 36 far 0 82 0 - 6.9-14.4 H ALA 29 - HD2 LYS 36 far 0 82 0 - 6.9-13.7 H SER 33 - HD2 LYS 24 far 0 100 0 - 6.9-20.4 H SER 107 - HD3 LYS 26 far 0 100 0 - 7.0-28.4 H LYS 31 - HD3 LYS 36 far 0 94 0 - 7.1-12.2 H LYS 31 - HD3 LYS 24 far 0 100 0 - 7.1-16.5 H ARG 23 - HD3 LYS 36 far 0 87 0 - 7.4-25.9 H GLU 30 - HD3 LYS 24 far 0 60 0 - 7.5-14.3 H ARG 23 - HD2 LYS 31 far 0 96 0 - 7.7-18.4 H ALA 29 - HD2 LYS 19 far 0 75 0 - 7.8-22.6 H ARG 23 - HD2 LYS 36 far 0 87 0 - 8.2-25.2 H ARG 23 - HD3 LYS 31 far 0 96 0 - 8.3-19.6 H SER 107 - HD2 LYS 31 far 0 100 0 - 9.0-28.6 H SER 33 - HD2 LYS 19 far 0 87 0 - 9.0-30.1 H SER 33 - HD3 LYS 19 far 0 87 0 - 9.3-31.6 H SER 107 - HD3 LYS 31 far 0 100 0 - 9.3-28.4 H LEU 123 - HD3 LYS 24 far 0 68 0 - 9.8-31.0 Violated in 0 structures by 0.00 A. Peak 844 from cnoeabs.peaks (4.28, 1.66, 28.90 ppm; 4.56 A): 22 out of 145 assignments used, quality = 1.00: * HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-5.4 5.2=67, ~6332=32...(38) HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.9 5.2=67, ~6332=32...(38) HA LYS 26 + HD2 LYS 26 OK 98 99 100 100 2.1-5.4 5.0=77, ~6252=40...(34) HA LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.1-5.1 5.0=77, ~6252=40...(32) HA LYS 36 + HD3 LYS 36 OK 94 94 100 100 3.0-5.3 5.3=65, ~6395=39...(33) HA LYS 36 + HD2 LYS 36 OK 94 94 100 100 3.5-5.3 5.3=65, ~6395=39...(34) HA LYS 19 + HD3 LYS 19 OK 81 82 100 99 2.0-4.8 5.2=69, ~6151=32...(43) HA LYS 19 + HD2 LYS 19 OK 81 82 100 99 2.0-4.5 5.2=69, ~6151=32...(43) HA THR 25 + HD2 LYS 24 OK 50 93 55 98 2.7-7.9 11128/3.5=33, ~6234=28...(26) HA THR 25 + HD3 LYS 24 OK 50 93 55 98 3.3-8.1 11128/3.5=33, ~6234=28...(26) HA THR 25 + HD2 LYS 26 OK 44 93 50 95 3.7-8.6 582/5.7=42, 11128/3.5=27...(22) HA THR 25 + HD3 LYS 26 OK 40 92 45 95 4.5-8.0 582/5.7=42, 11128/3.5=27...(22) HA LYS 31 + HD3 LYS 26 OK 34 100 35 99 4.2-17.5 3.0/6336=7, 790/3.5=4...(194) HA LYS 19 + HD3 LYS 24 OK 34 97 40 88 2.2-14.1 822/3.0=5, 793/3.0=5...(94) HA LYS 19 + HD2 LYS 24 OK 31 97 35 92 3.3-14.3 822/3.0=5, 793/3.0=5...(127) HA ARG 23 + HD2 LYS 26 OK 29 98 50 59 3.1-12.9 6240/6236=3, 3.8/3938=3...(19) HA LYS 26 + HD3 LYS 31 OK 28 99 30 96 4.2-13.7 790/3.5=7, 822/2.9=6...(162) HA LYS 26 + HD2 LYS 31 OK 28 99 30 95 2.5-14.0 790/3.5=7, 822/2.9=6...(132) HA ARG 23 + HD3 LYS 26 OK 25 97 40 65 3.6-13.1 4.9/11449=11...(19) HA LYS 31 + HD2 LYS 26 OK 25 100 25 99 4.7-17.2 3.0/6335=6, ~6336=5...(198) HA ARG 23 + HD3 LYS 24 OK 24 98 35 69 3.5-8.6 424/5.9=40, ~821=7...(18) HA ARG 23 + HD2 LYS 24 OK 20 98 30 69 3.9-8.4 424/5.9=40, ~821=7...(17) HA ALA 21 - HD2 LYS 24 poor 19 95 20 - 3.9-12.1 HA ALA 21 - HD3 LYS 24 poor 19 94 20 - 3.1-12.2 HA ALA 12 - HD2 LYS 19 poor 17 83 20 - 4.1-20.6 HA THR 18 - HD2 LYS 19 poor 15 75 20 - 2.6-7.9 HA LYS 31 - HD2 LYS 36 far 14 94 15 - 4.5-11.5 HA THR 25 - HD2 LYS 31 far 14 93 15 - 4.3-15.2 HA THR 18 - HD3 LYS 24 far 14 92 15 - 2.0-15.2 HA LEU 22 - HD2 LYS 24 poor 14 98 35 39 2.8-10.2 11967/3.0=8, 6212/5.9=8...(10) HA ALA 12 - HD3 LYS 19 far 13 83 15 - 3.2-20.9 HA ALA 15 - HD2 LYS 19 far 13 83 15 - 4.3-14.9 HA THR 18 - HD3 LYS 19 far 11 75 15 - 4.3-7.5 HA LYS 36 - HD2 LYS 26 far 10 100 10 - 4.9-28.2 HA LYS 36 - HD3 LYS 26 far 10 100 10 - 5.8-27.5 HA ALA 15 - HD2 LYS 31 far 10 99 10 - 5.7-24.6 HA ALA 15 - HD3 LYS 31 far 10 99 10 - 5.3-25.6 HA LEU 22 - HD3 LYS 24 poor 10 98 25 39 3.9-9.9 11967/3.0=8, 6212/5.9=8...(10) HA THR 25 - HD3 LYS 31 far 9 93 10 - 4.3-14.5 HA THR 25 - HD3 LYS 36 far 8 84 10 - 5.9-22.2 HA ALA 15 - HD3 LYS 19 far 8 83 10 - 4.4-14.7 HA ALA 108 - HD2 LYS 26 far 5 100 5 - 4.8-33.2 HA ALA 16 - HD2 LYS 31 far 5 100 5 - 4.9-27.6 HA GLN 61 - HD2 LYS 26 far 5 100 5 - 4.2-27.0 HA ALA 109 - HD3 LYS 26 far 5 100 5 - 4.8-33.6 HA LYS 36 - HD2 LYS 24 far 5 100 5 - 6.0-27.3 HA GLN 61 - HD3 LYS 31 far 5 100 5 - 6.0-23.4 HA GLN 61 - HD3 LYS 26 far 5 99 5 - 4.2-26.3 HA LYS 26 - HD3 LYS 24 far 5 99 5 - 4.6-10.7 HA ALA 15 - HD3 LYS 24 far 5 99 5 - 5.0-21.8 HA ALA 15 - HD2 LYS 24 far 5 99 5 - 5.4-22.2 HA ALA 110 - HD3 LYS 26 far 5 98 5 - 4.9-35.3 HA LYS 26 - HD2 LYS 24 far 5 99 5 - 6.0-10.6 HA ARG 23 - HD2 LYS 31 far 5 98 5 - 5.6-16.4 HA LEU 22 - HD2 LYS 26 far 5 98 5 - 5.5-15.0 HA LYS 31 - HD3 LYS 36 far 5 94 5 - 5.5-11.8 HA ALA 21 - HD3 LYS 26 far 5 94 5 - 5.8-15.9 HA THR 18 - HD2 LYS 24 far 5 92 5 - 3.6-15.2 HA THR 18 - HD2 LYS 31 far 5 92 5 - 4.8-23.0 HA THR 18 - HD3 LYS 31 far 5 92 5 - 4.8-24.1 HA LYS 31 - HD2 LYS 19 far 4 87 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 4 87 5 - 3.5-28.9 HA ALA 21 - HD3 LYS 36 far 4 85 5 - 5.2-27.3 HA ALA 21 - HD2 LYS 36 far 4 85 5 - 5.3-26.7 HA THR 25 - HD2 LYS 36 far 4 84 5 - 4.6-21.6 HA LEU 22 - HD2 LYS 19 far 4 83 5 - 6.1-11.8 HA ALA 21 - HD3 LYS 19 far 4 78 5 - 5.9-10.7 HA THR 25 - HD2 LYS 19 far 4 76 5 - 4.9-18.6 HA THR 25 - HD3 LYS 19 far 4 76 5 - 5.3-20.4 HA ALA 109 - HD2 LYS 26 far 0 100 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 83 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 100 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 98 0 - 6.2-17.8 HA ALA 16 - HD2 LYS 19 far 0 87 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 100 0 - 6.3-29.1 HA LEU 22 - HD3 LYS 19 far 0 83 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 97 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 100 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 99 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 97 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 100 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 82 0 - 6.7-32.3 HA ALA 16 - HD3 LYS 19 far 0 87 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 78 0 - 6.7-11.4 HA THR 18 - HD3 LYS 36 far 0 82 0 - 6.8-33.0 HA ALA 110 - HD2 LYS 19 far 0 84 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 100 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 83 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 99 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 100 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 83 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 83 0 - 7.0-14.4 HA LYS 26 - HD2 LYS 36 far 0 91 0 - 7.0-20.6 HA ALA 16 - HD3 LYS 36 far 0 94 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 100 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 91 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 93 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 94 0 - 7.2-16.4 HA LYS 19 - HD3 LYS 31 far 0 97 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 100 0 - 7.5-26.2 HA ALA 108 - HD3 LYS 24 far 0 100 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 90 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 90 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 99 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 100 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 100 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 97 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 86 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 100 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 97 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 98 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 84 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 98 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 100 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 91 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 99 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 93 0 - 8.3-23.9 HA GLN 61 - HD3 LYS 19 far 0 86 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 91 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 100 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 94 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 100 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 93 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 90 0 - 8.5-27.7 HA ALA 109 - HD3 LYS 19 far 0 87 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 89 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 87 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 92 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 95 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 89 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 100 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 87 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 98 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 94 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 100 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 100 0 - 9.5-32.1 HA ALA 12 - HD2 LYS 31 far 0 99 0 - 9.6-26.0 HA ALA 12 - HD3 LYS 31 far 0 99 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 87 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 100 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 100 0 - 9.8-33.3 HA ALA 16 - HD2 LYS 26 far 0 100 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 87 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 90 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 91 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 845 from cnoeabs.peaks (1.74, 1.66, 28.90 ppm; 4.35 A): 13 out of 66 assignments used, quality = 1.00: * HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.1-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.0-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 84 84 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 43 100 45 97 2.4-15.6 639/2.9=7, 628/2.9=7...(117) HB2 LYS 31 + HD2 LYS 26 OK 39 100 40 98 3.3-16.0 639/2.9=7, 628/2.9=7...(145) HB2 LYS 26 + HD2 LYS 31 OK 29 99 30 98 4.5-13.8 10770/10771=14...(175) HB2 LYS 26 + HD3 LYS 31 OK 24 99 25 99 4.1-13.7 10770/10771=12...(196) HB2 LYS 19 + HD3 LYS 24 OK 23 99 25 94 4.7-15.4 823/3.0=4, 1.8/2632=3...(135) HB2 ARG 23 - HD2 LYS 26 poor 19 96 20 - 2.0-13.7 HB2 ARG 23 - HD3 LYS 26 poor 17 95 25 71 3.3-13.9 3.7/11449=13...(22) HB2 LYS 19 - HD2 LYS 24 far 15 99 15 - 3.7-16.1 HB2 LYS 24 - HD2 LYS 19 poor 12 86 30 45 4.1-16.1 790/5.2=1, 514/3.0=1...(4) HB2 LYS 24 - HD3 LYS 19 poor 10 86 25 48 2.7-16.8 790/5.2=1, 514/3.0=1...(5) HB2 ARG 23 - HD3 LYS 24 far 10 96 10 - 4.5-9.5 HB2 LYS 24 - HD2 LYS 31 far 5 100 5 - 4.7-17.2 HB2 LYS 26 - HD3 LYS 24 far 5 99 5 - 2.0-12.6 HB2 LYS 26 - HD2 LYS 24 far 5 99 5 - 3.6-12.6 HB2 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.6-23.5 HB2 LYS 19 - HD2 LYS 31 far 5 99 5 - 5.1-23.0 HB2 LYS 19 - HD3 LYS 26 far 5 98 5 - 5.6-21.9 HB2 ARG 23 - HD2 LYS 31 far 5 96 5 - 5.5-17.1 HB2 ARG 23 - HD2 LYS 24 far 5 96 5 - 5.8-9.7 HB2 LYS 31 - HD2 LYS 36 far 5 94 5 - 5.5-12.6 HB2 LYS 24 - HD2 LYS 36 far 5 93 5 - 3.0-25.5 HB2 LYS 24 - HD3 LYS 36 far 5 93 5 - 4.2-25.9 HB2 LYS 26 - HD2 LYS 36 far 5 92 5 - 5.6-20.8 HB2 LYS 31 - HD2 LYS 19 far 4 87 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 4 87 5 - 5.5-29.5 HB2 ARG 23 - HD3 LYS 36 far 4 87 5 - 5.5-23.2 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.9-18.6 HB2 ARG 23 - HD2 LYS 36 far 0 87 0 - 6.0-22.4 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.1-12.1 HB2 LYS 26 - HD3 LYS 36 far 0 92 0 - 6.1-21.8 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.2-19.4 HB2 ARG 23 - HD3 LYS 31 far 0 96 0 - 6.2-18.0 HB2 LYS 19 - HD2 LYS 26 far 0 99 0 - 6.2-21.7 HB2 ARG 23 - HD2 LYS 19 far 0 79 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 94 0 - 6.5-12.1 HB2 LYS 26 - HD3 LYS 19 far 0 84 0 - 6.6-24.6 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.7-18.3 HB2 LEU 43 - HD3 LYS 36 far 0 81 0 - 7.0-17.8 HB2 LYS 26 - HD2 LYS 19 far 0 84 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 77 0 - 7.5-15.4 HB2 LEU 43 - HD3 LYS 24 far 0 90 0 - 7.6-30.2 HB2 LEU 43 - HD2 LYS 36 far 0 81 0 - 7.7-16.6 HB2 ARG 23 - HD3 LYS 19 far 0 79 0 - 8.0-15.0 HB2 LEU 43 - HD2 LYS 24 far 0 90 0 - 8.4-31.6 HB2 LYS 39 - HD3 LYS 24 far 0 87 0 - 8.5-31.4 HB2 LEU 43 - HD2 LYS 31 far 0 90 0 - 8.6-24.3 HB2 LYS 39 - HD2 LYS 36 far 0 77 0 - 8.9-14.2 HB3 LEU 70 - HD2 LYS 36 far 0 52 0 - 9.0-14.8 HB3 LEU 70 - HD3 LYS 36 far 0 52 0 - 9.0-15.3 HB2 LYS 19 - HD3 LYS 36 far 0 92 0 - 9.2-30.9 HB3 LEU 70 - HD2 LYS 31 far 0 60 0 - 9.3-20.2 HB2 LEU 43 - HD3 LYS 31 far 0 90 0 - 9.5-22.7 HB3 LEU 70 - HD3 LYS 31 far 0 60 0 - 9.6-19.5 HB2 LEU 43 - HD3 LYS 26 far 0 89 0 - 9.7-30.1 HB2 LYS 39 - HD2 LYS 19 far 0 70 0 - 9.8-40.0 HB2 LEU 43 - HD2 LYS 26 far 0 90 0 - 9.9-30.2 HB2 LYS 39 - HD2 LYS 24 far 0 87 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 846 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.23 A): 20 out of 75 assignments used, quality = 1.00: * HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.0-4.1 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.0-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.1-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.1-3.7 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.7 3.9=100 HB ILE 32 + HD2 LYS 36 OK 69 92 75 100 2.1-6.8 ~10901=31, 2.1/10837=29...(56) HB ILE 32 + HD3 LYS 36 OK 55 92 60 100 2.3-8.3 ~10901=31, 2.1/10837=28...(60) HB3 LYS 31 + HD2 LYS 26 OK 39 100 40 97 2.9-17.3 629/2.9=7, 273/2.9=5...(149) HB3 LYS 31 + HD3 LYS 26 OK 38 100 40 96 3.4-17.4 629/2.9=7, 6332/6336=5...(114) HB3 LYS 19 + HD2 LYS 24 OK 32 100 35 92 2.0-16.0 2631=4, 526/3.0=3...(118) HB3 LYS 19 + HD3 LYS 24 OK 30 100 35 87 3.5-15.3 2632=4, 526/3.0=3...(87) HB3 LYS 26 + HD2 LYS 31 OK 29 99 30 98 4.2-14.4 10769/10771=14...(195) HB ILE 32 + HD3 LYS 31 OK 26 99 30 87 4.1-9.2 3.0/10763=10...(57) HB ILE 32 + HD3 LYS 26 OK 26 99 30 86 4.0-17.6 3.0/10763=8, 2.1/10837=8...(46) HB3 ARG 23 + HD2 LYS 26 OK 20 96 35 59 2.9-14.2 ~11618=4, 442/5.7=4...(21) HB2 LYS 36 - HD2 LYS 26 poor 20 100 20 - 5.1-27.9 HB ILE 32 - HD2 LYS 26 poor 20 99 20 - 4.1-18.3 HB2 LYS 36 - HD3 LYS 26 poor 20 99 20 - 4.4-27.1 HB3 LYS 26 - HD3 LYS 31 poor 20 99 20 - 4.5-14.4 HB3 ARG 23 - HD3 LYS 26 poor 19 96 30 66 2.9-14.6 3.7/11449=13...(15) HB3 LYS 24 - HD3 LYS 19 poor 17 87 20 - 2.0-16.3 HB ILE 32 - HD2 LYS 31 far 15 99 15 - 5.5-9.5 HB3 LYS 24 - HD2 LYS 19 far 13 87 15 - 3.7-15.7 HB3 ARG 23 - HD3 LYS 24 far 10 96 10 - 5.2-9.3 HB3 LYS 24 - HD3 LYS 36 far 9 94 10 - 5.5-25.2 HB3 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.4-17.9 HB2 LYS 36 - HD2 LYS 31 far 5 100 5 - 5.0-15.5 HB2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.7-27.6 HB3 LYS 26 - HD3 LYS 24 far 5 99 5 - 3.7-12.3 HB3 LYS 26 - HD2 LYS 24 far 5 99 5 - 5.1-12.6 HB3 LYS 24 - HD2 LYS 36 far 5 94 5 - 4.2-24.7 HB3 ARG 23 - HD3 LYS 36 far 4 88 5 - 4.9-23.1 HB3 LYS 31 - HD2 LYS 19 far 4 87 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 4 87 5 - 4.1-28.8 HB3 LEU 98 - HD2 LYS 24 far 3 65 5 - 4.6-36.8 HB3 LEU 98 - HD3 LYS 24 far 3 65 5 - 4.2-35.7 HB3 ARG 23 - HD2 LYS 36 far 0 88 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 97 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 92 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 97 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 96 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 92 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 80 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 100 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 84 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 99 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 94 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 84 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 87 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.7-11.2 HB ILE 32 - HD3 LYS 19 far 0 85 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 80 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 85 0 - 8.1-28.1 HB3 LEU 122 - HD2 LYS 24 far 0 87 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 50 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 99 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 84 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 57 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 50 0 - 9.2-37.9 HB2 CYS 79 - HD2 LYS 36 far 0 57 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 847 from cnoeabs.peaks (1.44, 1.66, 28.90 ppm; 3.43 A): 14 out of 68 assignments used, quality = 1.00: * HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.2-2.9 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 62 62 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 62 62 100 100 2.5-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 31 OK 27 100 40 68 3.3-9.3 10757/5.2=8, 6333/6.2=6...(33) HG13 ILE 32 + HD2 LYS 36 OK 26 94 30 93 4.2-7.8 3.2/10837=17, ~10901=14...(57) HG13 ILE 32 + HD3 LYS 31 OK 23 100 35 67 2.0-10.3 10757/5.2=8, 6333/6.2=6...(33) HG13 ILE 32 + HD3 LYS 26 OK 21 100 35 62 2.0-15.6 ~10704=6, 1.8/10767=5...(33) HG13 ILE 32 - HD2 LYS 26 poor 20 100 30 66 2.5-16.4 ~10767=7, ~10704=6...(34) HG13 ILE 32 - HD3 LYS 36 poor 19 94 20 - 3.6-8.5 HG3 LYS 19 - HD3 LYS 24 far 15 100 15 - 4.4-17.3 HG3 LYS 19 - HD2 LYS 24 far 10 100 10 - 4.4-17.3 HG2 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.2-17.6 HG2 LYS 26 - HD3 LYS 31 far 10 98 10 - 4.2-16.2 QB ALA 34 - HD3 LYS 36 far 7 66 10 - 4.1-8.0 HG2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.5-18.0 HG2 LYS 26 - HD3 LYS 24 far 5 98 5 - 3.7-12.2 HG3 LYS 24 - HD3 LYS 19 poor 5 86 25 22 2.0-17.8 823/3.9=2, 526/3.9=2...(4) QB ALA 34 - HD2 LYS 26 far 4 76 5 - 4.9-20.3 HG3 LYS 24 - HD2 LYS 19 lone 4 86 25 17 2.7-16.7 823/3.9=2, 526/3.9=2, 822/5.2=2 HG3 LYS 36 - HD3 LYS 26 far 3 70 5 - 3.6-25.1 QB ALA 34 - HD2 LYS 36 far 3 66 5 - 4.7-8.0 HG2 LYS 26 - HD2 LYS 31 far 0 98 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 90 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 98 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 71 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 93 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 94 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 71 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 71 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 87 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 87 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 90 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 71 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 99 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 93 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 86 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 75 0 - 6.2-20.6 HG3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 71 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 86 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.8-25.5 QB ALA 34 - HD2 LYS 24 far 0 76 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 76 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 100 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 100 0 - 7.4-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 76 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 76 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 83 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 83 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 96 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 96 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 55 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 55 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 848 from cnoeabs.peaks (1.39, 1.66, 28.90 ppm; 4.07 A): 10 out of 123 assignments used, quality = 1.00: * HG3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.2-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HD2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 53 53 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 53 53 100 100 2.5-3.0 3.0=100 QB ALA 15 - HD3 LYS 31 poor 20 99 20 - 3.8-22.6 HG2 LYS 19 - HD2 LYS 24 poor 17 68 25 - 3.0-17.8 HG2 LYS 19 - HD3 LYS 24 poor 17 68 25 - 2.7-16.9 HG2 LYS 24 - HD3 LYS 19 poor 16 80 20 - 2.1-17.8 HG3 LYS 31 - HD2 LYS 26 far 15 100 15 - 4.8-17.0 HG3 LYS 31 - HD3 LYS 26 far 15 100 15 - 3.0-16.8 QB ALA 28 - HD2 LYS 24 far 15 99 15 - 4.4-13.3 QB ALA 28 - HD3 LYS 24 far 15 99 15 - 4.8-12.7 HG3 LYS 26 - HD3 LYS 31 far 15 98 15 - 3.4-15.4 QB ALA 29 - HD2 LYS 31 far 15 97 15 - 2.5-9.8 QB ALA 15 - HD2 LYS 19 far 13 83 15 - 3.7-12.8 HG2 LYS 24 - HD2 LYS 19 poor 11 80 25 56 3.2-16.1 793/5.2=2, 835/3.9=2...(4) QB ALA 28 - HD2 LYS 31 poor 10 99 25 41 2.1-10.6 6304/10771=21, ~10771=13...(4) QB ALA 28 - HD3 LYS 31 poor 10 99 25 41 2.9-9.7 6304/10771=18, ~10771=16...(6) QB ALA 34 - HD3 LYS 36 poor 10 54 40 47 4.1-8.0 5.0/10854=15...(9) QB ALA 29 - HD3 LYS 31 poor 10 97 30 35 3.0-9.8 ~10782=18, 3.7/7749=5...(8) QB ALA 15 - HD2 LYS 31 far 10 99 10 - 3.6-21.3 HG3 LYS 26 - HD2 LYS 24 far 10 98 10 - 5.3-11.0 QB ALA 29 - HD2 LYS 26 far 10 97 10 - 4.7-11.1 QB ALA 29 - HD3 LYS 26 far 10 97 10 - 4.5-11.4 HG3 LYS 31 - HD3 LYS 36 far 9 94 10 - 4.6-13.4 HG3 LYS 31 - HD2 LYS 36 far 9 94 10 - 4.8-13.4 HG3 LYS 26 - HD2 LYS 36 far 9 90 10 - 4.8-22.9 HB2 LEU 42 - HD3 LYS 36 far 9 87 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 9 87 10 - 4.0-11.4 QB ALA 28 - HD3 LYS 19 far 8 84 10 - 4.6-21.9 QB ALA 15 - HD3 LYS 19 far 8 83 10 - 3.8-12.9 QB ALA 34 - HD2 LYS 36 far 8 54 15 - 4.7-8.0 QB ALA 109 - HD2 LYS 26 far 5 100 5 - 4.4-27.7 HG2 LYS 95 - HD3 LYS 24 far 5 100 5 - 4.1-36.2 HG2 LYS 95 - HD2 LYS 24 far 5 100 5 - 4.4-37.2 HG3 LYS 95 - HD2 LYS 24 far 5 100 5 - 3.4-37.4 HG3 LYS 95 - HD3 LYS 24 far 5 100 5 - 3.7-36.4 QB ALA 109 - HD3 LYS 26 far 5 100 5 - 5.1-28.1 QB ALA 108 - HD3 LYS 24 far 5 99 5 - 4.5-33.1 QB ALA 108 - HD2 LYS 24 far 5 99 5 - 5.1-33.9 QB ALA 28 - HD2 LYS 26 far 5 99 5 - 5.4-9.5 QB ALA 108 - HD3 LYS 26 far 5 99 5 - 4.8-26.0 QB ALA 15 - HD3 LYS 24 far 5 99 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 5 99 5 - 3.6-30.2 QB ALA 15 - HD2 LYS 24 far 5 99 5 - 4.1-17.3 QB ALA 110 - HD3 LYS 26 far 5 98 5 - 2.4-29.3 HG3 LYS 26 - HD2 LYS 31 far 5 98 5 - 3.6-15.7 HG3 LYS 26 - HD3 LYS 24 far 5 98 5 - 3.7-11.0 QB ALA 29 - HD2 LYS 24 far 5 97 5 - 5.3-13.3 QB ALA 29 - HD3 LYS 24 far 5 97 5 - 5.3-12.6 HG2 LYS 36 - HD3 LYS 26 far 5 97 5 - 5.1-24.7 HG2 LYS 24 - HD3 LYS 26 far 5 96 5 - 5.2-11.4 QB ALA 16 - HD2 LYS 24 far 5 93 5 - 4.9-17.1 QB ALA 16 - HD2 LYS 31 far 5 93 5 - 5.3-24.0 QB ALA 29 - HD3 LYS 36 far 4 89 5 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 4 89 5 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 4 88 5 - 5.3-25.5 HG3 LYS 31 - HD3 LYS 19 far 4 87 5 - 4.1-26.6 HG3 LYS 31 - HD2 LYS 19 far 4 87 5 - 4.6-25.3 QB ALA 16 - HD2 LYS 19 far 4 76 5 - 4.8-11.3 QB ALA 16 - HD3 LYS 19 far 4 76 5 - 5.4-11.1 QB ALA 34 - HD2 LYS 26 far 3 63 5 - 4.9-20.3 QB ALA 16 - HD3 LYS 24 far 0 93 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 96 0 - 5.8-11.1 HG2 LYS 36 - HD2 LYS 26 far 0 97 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 84 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 90 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 99 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 98 0 - 6.2-9.2 QB ALA 34 - HD3 LYS 26 far 0 62 0 - 6.2-20.6 HG2 LYS 36 - HD2 LYS 31 far 0 97 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 93 0 - 6.3-25.2 HG2 LYS 24 - HD3 LYS 36 far 0 88 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 87 0 - 6.6-41.1 HG2 LYS 36 - HD3 LYS 31 far 0 97 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 84 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 97 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 83 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 68 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 96 0 - 7.0-17.3 QB ALA 34 - HD2 LYS 24 far 0 63 0 - 7.0-21.4 HG2 LYS 24 - HD2 LYS 31 far 0 97 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 82 0 - 7.0-21.3 QB ALA 34 - HD3 LYS 24 far 0 63 0 - 7.1-22.6 QB ALA 109 - HD2 LYS 19 far 0 87 0 - 7.1-42.5 QB ALA 15 - HD2 LYS 26 far 0 99 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 92 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 68 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 98 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 84 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 82 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 99 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 19 far 0 83 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 67 0 - 7.8-23.7 QB ALA 109 - HD3 LYS 24 far 0 100 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 97 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 91 0 - 8.2-25.1 QB ALA 34 - HD3 LYS 31 far 0 63 0 - 8.2-12.5 QB ALA 108 - HD3 LYS 31 far 0 99 0 - 8.2-26.1 QB ALA 28 - HD3 LYS 36 far 0 92 0 - 8.2-14.4 QB ALA 34 - HD2 LYS 31 far 0 63 0 - 8.3-12.7 QB ALA 109 - HD2 LYS 24 far 0 100 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 91 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 68 0 - 8.4-23.4 QB ALA 16 - HD2 LYS 26 far 0 93 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 92 0 - 8.7-20.3 QB ALA 108 - HD3 LYS 19 far 0 85 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 85 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 83 0 - 9.2-24.1 HG3 LYS 26 - HD2 LYS 19 far 0 83 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 99 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 82 0 - 9.4-35.1 HG2 LYS 19 - HD3 LYS 36 far 0 59 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 95 0 - 9.8-27.9 HB2 LEU 96 - HD3 LYS 24 far 0 97 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 849 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 * HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 90 90 - 100 HD3 LYS 36 + HD3 LYS 36 OK 90 90 - 100 HD3 LYS 19 + HD3 LYS 19 OK 79 79 - 100 HD2 LYS 19 + HD2 LYS 19 OK 79 79 - 100 Peak 850 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 89 89 - 100 HD3 LYS 36 + HD3 LYS 36 OK 89 89 - 100 HD3 LYS 19 + HD3 LYS 19 OK 80 80 - 100 HD2 LYS 19 + HD2 LYS 19 OK 80 80 - 100 Reference assignment not found: HD3 LYS 31 - HD2 LYS 31 Peak 851 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 3.78 A): 20 out of 104 assignments used, quality = 1.00: * HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE3 LYS 36 - HD3 LYS 26 poor 20 100 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 20 98 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 19 94 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 17 83 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 17 83 20 - 2.7-18.2 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 15 100 15 - 3.3-25.8 HE2 LYS 26 - HD2 LYS 36 far 14 94 15 - 3.3-25.2 HB2 CYS 45 - HD3 LYS 36 poor 14 69 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 14 69 20 - 4.5-10.8 HE3 LYS 24 - HD3 LYS 19 far 13 86 15 - 2.2-19.0 HE3 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.6-14.9 HE2 LYS 19 - HD3 LYS 24 far 10 99 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 10 99 10 - 1.9-25.5 HE2 LYS 31 - HD2 LYS 36 far 9 94 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 94 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 9 94 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 94 10 - 3.6-14.4 HE2 LYS 26 - HD3 LYS 36 far 9 94 10 - 4.7-26.1 HE3 LYS 24 - HD2 LYS 19 far 9 86 10 - 2.9-18.4 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 100 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.9-15.3 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE3 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.0-18.2 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.2-17.8 HE2 LYS 19 - HD2 LYS 24 far 5 99 5 - 5.2-19.0 HE2 LYS 36 - HD3 LYS 31 far 5 99 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 31 far 5 99 5 - 4.6-13.1 HE2 LYS 36 - HD2 LYS 24 far 5 99 5 - 5.2-24.7 HE2 LYS 24 - HD3 LYS 31 far 5 98 5 - 4.7-18.8 HE3 LYS 31 - HD3 LYS 36 far 5 94 5 - 4.8-13.8 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 97 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 54 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 99 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 98 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 90 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 87 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 87 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 97 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 77 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 78 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 54 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 98 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 90 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 97 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 100 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 78 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 86 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 94 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 78 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 86 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 100 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 78 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 86 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 86 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 99 0 - 7.9-25.4 HE3 LYS 24 - HD3 LYS 36 far 0 94 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 78 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 99 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 86 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 84 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 86 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 84 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 86 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 852 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 3.77 A): 20 out of 102 assignments used, quality = 1.00: * HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 86 86 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 83 83 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.2-3.0 2.9=100 HE3 LYS 36 - HD3 LYS 26 poor 20 99 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 19 97 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 19 94 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 16 79 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 16 79 20 - 2.7-18.2 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE3 LYS 36 - HD2 LYS 26 far 15 99 15 - 3.3-25.8 HE2 LYS 26 - HD2 LYS 36 far 14 94 15 - 3.3-25.2 HE3 LYS 24 - HD3 LYS 19 far 13 85 15 - 2.2-19.0 HB2 CYS 45 - HD3 LYS 36 poor 12 62 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 12 62 20 - 4.5-10.8 HE3 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.6-14.9 HE2 LYS 19 - HD3 LYS 24 far 10 98 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 10 97 10 - 1.9-25.5 HE3 LYS 26 - HD3 LYS 36 far 9 94 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 94 10 - 3.6-14.4 HE2 LYS 26 - HD3 LYS 36 far 9 94 10 - 4.7-26.1 HE2 LYS 31 - HD2 LYS 36 far 9 94 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 94 10 - 4.3-13.8 HE3 LYS 24 - HD2 LYS 19 far 8 85 10 - 2.9-18.4 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE2 LYS 26 - HD3 LYS 31 far 5 100 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.9-15.3 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.2-17.8 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 19 - HD2 LYS 24 far 5 98 5 - 5.2-19.0 HE2 LYS 36 - HD2 LYS 31 far 5 97 5 - 4.6-13.1 HE2 LYS 36 - HD3 LYS 31 far 5 97 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 24 far 5 97 5 - 5.2-24.7 HE2 LYS 24 - HD3 LYS 31 far 5 96 5 - 4.7-18.8 HE3 LYS 31 - HD3 LYS 36 far 5 94 5 - 4.8-13.8 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 99 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 97 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 96 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 87 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 86 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 86 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 99 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 70 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 71 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 96 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 99 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 87 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 99 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 71 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 87 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 92 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 71 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 87 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 71 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 85 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 85 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 7.9-25.4 HE3 LYS 24 - HD3 LYS 36 far 0 92 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 71 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 82 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 87 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 82 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 854 from cnoeabs.peaks (8.23, 1.66, 28.90 ppm; 5.05 A): 10 out of 55 assignments used, quality = 1.00: * H LYS 31 + HD3 LYS 31 OK 100 100 100 100 1.9-5.5 6331/3.5=85, 6332/3.5=85...(72) H LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.9-6.0 6331/3.5=85, 6332/3.5=85...(72) H SER 33 + HD2 LYS 36 OK 91 92 100 100 1.8-6.2 3.0/10775=43...(24) H SER 33 + HD3 LYS 36 OK 91 92 100 100 1.7-5.7 10896/6.1=40, 10855=37...(24) H LYS 31 + HD2 LYS 26 OK 35 100 45 78 3.6-14.3 799/3.5=10, 6335=10...(40) H LYS 31 + HD3 LYS 26 OK 34 100 45 76 3.4-14.6 6336=11, 799/3.5=10...(38) H ARG 23 + HD2 LYS 24 OK 32 96 40 83 4.2-8.5 6211/5.9=50, 821/3.0=16...(30) H ARG 23 + HD3 LYS 24 OK 32 96 40 83 3.7-8.3 6211/5.9=50, 821/3.0=16...(27) H SER 33 + HD2 LYS 26 OK 28 100 50 56 3.0-19.9 6360/10763=12...(16) H SER 33 + HD3 LYS 26 OK 25 100 45 55 2.7-19.1 6360/10763=12...(16) H ARG 23 - HD2 LYS 26 poor 19 96 20 - 4.9-13.1 H GLU 30 - HD2 LYS 31 poor 18 60 50 59 3.2-8.5 4.6/6336=22, 832/2.9=7...(14) H GLU 30 - HD3 LYS 31 poor 16 60 45 60 2.5-7.6 4.6/6336=22, 832/2.9=7...(14) H ALA 29 - HD2 LYS 31 poor 16 92 30 59 3.6-10.4 4.6/10771=25, ~10782=25...(8) H SER 33 - HD3 LYS 31 poor 16 100 40 39 6.0-9.8 6360/10763=14...(9) H ALA 29 - HD3 LYS 31 poor 15 92 30 55 4.2-9.8 ~10782=25, 4.6/10771=21...(10) H SER 33 - HD2 LYS 31 far 15 100 15 - 5.9-9.8 H ARG 23 - HD3 LYS 26 poor 13 95 25 55 4.3-13.1 6.4/11449=10...(26) H GLU 30 - HD2 LYS 26 poor 12 60 20 - 3.4-12.3 H GLU 30 - HD3 LYS 26 poor 12 60 20 - 3.3-12.6 H ALA 29 - HD2 LYS 26 poor 5 92 25 23 2.6-11.1 799/3.5=5, 821/2.9=4...(10) H ALA 29 - HD3 LYS 26 poor 5 91 25 23 3.4-11.4 799/3.5=5, 821/2.9=4...(10) H SER 33 - HD3 LYS 24 far 5 100 5 - 5.9-21.4 H LYS 31 - HD2 LYS 24 far 5 100 5 - 6.4-15.5 H LYS 31 - HD2 LYS 36 far 5 92 5 - 6.3-11.0 H LYS 31 - HD3 LYS 19 far 4 90 5 - 3.2-26.4 H LYS 31 - HD2 LYS 19 far 4 90 5 - 3.9-25.1 H ARG 23 - HD3 LYS 19 far 4 82 5 - 6.3-14.2 H ARG 23 - HD2 LYS 19 far 4 82 5 - 6.4-12.5 H GLU 30 - HD3 LYS 19 far 2 48 5 - 4.5-24.5 H GLU 30 - HD2 LYS 19 far 2 48 5 - 5.6-23.7 H ALA 29 - HD3 LYS 24 far 0 92 0 - 6.6-12.6 H GLU 30 - HD2 LYS 36 far 0 50 0 - 6.6-12.4 H SER 107 - HD2 LYS 26 far 0 100 0 - 6.6-29.5 H GLU 30 - HD3 LYS 36 far 0 50 0 - 6.7-13.3 H ALA 29 - HD3 LYS 19 far 0 78 0 - 6.8-23.4 H ALA 29 - HD2 LYS 24 far 0 92 0 - 6.8-13.5 H GLU 30 - HD2 LYS 24 far 0 60 0 - 6.9-15.3 H ALA 29 - HD3 LYS 36 far 0 80 0 - 6.9-14.4 H ALA 29 - HD2 LYS 36 far 0 80 0 - 6.9-13.7 H SER 33 - HD2 LYS 24 far 0 100 0 - 6.9-20.4 H SER 107 - HD3 LYS 26 far 0 100 0 - 7.0-28.4 H LYS 31 - HD3 LYS 36 far 0 92 0 - 7.1-12.2 H LYS 31 - HD3 LYS 24 far 0 100 0 - 7.1-16.5 H ARG 23 - HD3 LYS 36 far 0 84 0 - 7.4-25.9 H GLU 30 - HD3 LYS 24 far 0 60 0 - 7.5-14.3 H ARG 23 - HD2 LYS 31 far 0 96 0 - 7.7-18.4 H ALA 29 - HD2 LYS 19 far 0 78 0 - 7.8-22.6 H ARG 23 - HD2 LYS 36 far 0 84 0 - 8.2-25.2 H ARG 23 - HD3 LYS 31 far 0 96 0 - 8.3-19.6 H SER 107 - HD2 LYS 31 far 0 100 0 - 9.0-28.6 H SER 33 - HD2 LYS 19 far 0 89 0 - 9.0-30.1 H SER 33 - HD3 LYS 19 far 0 89 0 - 9.3-31.6 H SER 107 - HD3 LYS 31 far 0 100 0 - 9.3-28.4 H LEU 123 - HD3 LYS 24 far 0 68 0 - 9.8-31.0 Violated in 0 structures by 0.00 A. Peak 855 from cnoeabs.peaks (4.28, 1.66, 28.90 ppm; 4.35 A): 19 out of 145 assignments used, quality = 1.00: * HA LYS 31 + HD3 LYS 31 OK 99 100 100 99 2.0-4.9 5.2=58, ~6332=28...(38) HA LYS 31 + HD2 LYS 31 OK 99 100 100 99 2.0-5.4 5.2=58, ~6332=28...(38) HA LYS 26 + HD2 LYS 26 OK 98 99 100 99 2.1-5.4 5.0=67, ~6252=36...(32) HA LYS 26 + HD3 LYS 26 OK 97 98 100 99 2.1-5.1 5.0=67, ~6252=36...(32) HA LYS 36 + HD3 LYS 36 OK 91 92 100 100 3.0-5.3 5.3=56, ~6395=35...(33) HA LYS 36 + HD2 LYS 36 OK 91 92 100 100 3.5-5.3 5.3=56, ~6395=35...(33) HA LYS 19 + HD3 LYS 19 OK 83 84 100 99 2.0-4.8 5.2=60, ~6151=29...(43) HA LYS 19 + HD2 LYS 19 OK 83 84 100 99 2.0-4.5 5.2=60, ~6151=29...(43) HA THR 25 + HD3 LYS 24 OK 45 93 50 97 3.3-8.1 11128/3.5=30, ~6234=25...(26) HA THR 25 + HD2 LYS 24 OK 45 93 50 96 2.7-7.9 11128/3.5=30, ~6234=25...(26) HA THR 25 + HD2 LYS 26 OK 43 93 50 93 3.7-8.6 582/5.7=37, 11128/3.5=24...(22) HA THR 25 + HD3 LYS 26 OK 35 93 40 93 4.5-8.0 582/5.7=37, 11128/3.5=24...(22) HA LYS 19 + HD3 LYS 24 OK 33 97 40 85 2.2-14.1 822/3.0=5, 793/3.0=4...(76) HA LYS 31 + HD3 LYS 26 OK 29 100 30 98 4.2-17.5 3.0/6336=6, 790/3.5=4...(175) HA LYS 19 + HD2 LYS 24 OK 26 97 30 90 3.3-14.3 822/3.0=5, 793/3.0=4...(106) HA LYS 31 + HD2 LYS 26 OK 25 100 25 98 4.7-17.2 3.0/6335=6, ~6336=4...(181) HA ARG 23 + HD2 LYS 26 OK 24 98 45 55 3.1-12.9 6240/6237=3, 3.8/3938=2...(13) HA ARG 23 + HD3 LYS 26 OK 24 98 40 61 3.6-13.1 4.9/11449=10...(15) HA LYS 26 + HD2 LYS 31 OK 23 99 25 93 2.5-14.0 790/3.5=6, 822/2.9=6...(101) HA LYS 26 - HD3 LYS 31 poor 20 99 20 - 4.2-13.7 HA ARG 23 - HD3 LYS 24 poor 19 98 30 65 3.5-8.6 424/5.9=35, ~821=7...(16) HA ALA 21 - HD3 LYS 24 poor 19 95 20 - 3.1-12.2 HA ARG 23 - HD2 LYS 24 poor 19 98 30 64 3.9-8.4 424/5.9=35, ~821=7...(16) HA ALA 21 - HD2 LYS 24 poor 19 94 20 - 3.9-12.1 HA ALA 12 - HD2 LYS 19 poor 17 86 20 - 4.1-20.6 HA THR 18 - HD2 LYS 19 poor 16 78 20 - 2.6-7.9 HA THR 25 - HD2 LYS 31 far 14 93 15 - 4.3-15.2 HA THR 18 - HD3 LYS 24 far 14 92 15 - 2.0-15.2 HA LYS 31 - HD2 LYS 36 far 14 92 15 - 4.5-11.5 HA ALA 12 - HD3 LYS 19 far 13 86 15 - 3.2-20.9 HA ALA 15 - HD2 LYS 19 far 13 86 15 - 4.3-14.9 HA LEU 22 - HD2 LYS 24 poor 11 98 30 36 2.8-10.2 11967/3.0=7, 6212/5.9=7...(10) HA LYS 36 - HD2 LYS 26 far 10 100 10 - 4.9-28.2 HA ALA 15 - HD3 LYS 31 far 10 99 10 - 5.3-25.6 HA THR 25 - HD3 LYS 31 far 9 93 10 - 4.3-14.5 HA LEU 22 - HD3 LYS 24 poor 9 98 25 36 3.9-9.9 11967/3.0=7, 6212/5.9=7...(10) HA ALA 15 - HD3 LYS 19 far 9 86 10 - 4.4-14.7 HA THR 18 - HD3 LYS 19 far 8 78 10 - 4.3-7.5 HA ALA 108 - HD2 LYS 26 far 5 100 5 - 4.8-33.2 HA ALA 16 - HD2 LYS 31 far 5 100 5 - 4.9-27.6 HA GLN 61 - HD2 LYS 26 far 5 100 5 - 4.2-27.0 HA ALA 109 - HD3 LYS 26 far 5 100 5 - 4.8-33.6 HA GLN 61 - HD3 LYS 26 far 5 100 5 - 4.2-26.3 HA LYS 36 - HD3 LYS 26 far 5 100 5 - 5.8-27.5 HA ALA 110 - HD3 LYS 26 far 5 99 5 - 4.9-35.3 HA LYS 26 - HD3 LYS 24 far 5 99 5 - 4.6-10.7 HA ALA 15 - HD3 LYS 24 far 5 99 5 - 5.0-21.8 HA ALA 15 - HD2 LYS 24 far 5 99 5 - 5.4-22.2 HA ALA 15 - HD2 LYS 31 far 5 99 5 - 5.7-24.6 HA LEU 22 - HD2 LYS 26 far 5 98 5 - 5.5-15.0 HA ARG 23 - HD2 LYS 31 far 5 98 5 - 5.6-16.4 HA ALA 21 - HD3 LYS 26 far 5 94 5 - 5.8-15.9 HA THR 18 - HD2 LYS 24 far 5 92 5 - 3.6-15.2 HA THR 18 - HD3 LYS 31 far 5 92 5 - 4.8-24.1 HA THR 18 - HD2 LYS 31 far 5 92 5 - 4.8-23.0 HA LYS 31 - HD3 LYS 36 far 5 92 5 - 5.5-11.8 HA LYS 31 - HD2 LYS 19 far 4 90 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 4 90 5 - 3.5-28.9 HA ALA 21 - HD3 LYS 36 far 4 83 5 - 5.2-27.3 HA ALA 21 - HD2 LYS 36 far 4 83 5 - 5.3-26.7 HA THR 25 - HD2 LYS 36 far 4 82 5 - 4.6-21.6 HA THR 25 - HD2 LYS 19 far 4 79 5 - 4.9-18.6 HA THR 25 - HD3 LYS 19 far 4 79 5 - 5.3-20.4 HA THR 25 - HD3 LYS 36 far 0 82 0 - 5.9-22.2 HA ALA 21 - HD3 LYS 19 far 0 81 0 - 5.9-10.7 HA GLN 61 - HD3 LYS 31 far 0 100 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 100 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 99 0 - 6.0-10.6 HA LEU 22 - HD2 LYS 19 far 0 85 0 - 6.1-11.8 HA ALA 109 - HD2 LYS 26 far 0 100 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 85 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 100 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 98 0 - 6.2-17.8 HA ALA 16 - HD2 LYS 19 far 0 89 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 100 0 - 6.3-29.1 HA LEU 22 - HD3 LYS 19 far 0 85 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 98 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 100 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 99 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 97 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 100 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 80 0 - 6.7-32.3 HA ALA 16 - HD3 LYS 19 far 0 89 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 81 0 - 6.7-11.4 HA THR 18 - HD3 LYS 36 far 0 80 0 - 6.8-33.0 HA ALA 110 - HD2 LYS 19 far 0 87 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 100 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 86 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 99 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 100 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 86 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 85 0 - 7.0-14.4 HA LYS 26 - HD2 LYS 36 far 0 89 0 - 7.0-20.6 HA ALA 16 - HD3 LYS 36 far 0 92 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 100 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 89 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 93 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 95 0 - 7.2-16.4 HA LYS 19 - HD3 LYS 31 far 0 97 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 100 0 - 7.5-26.2 HA ALA 108 - HD3 LYS 24 far 0 100 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 88 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 88 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 99 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 100 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 100 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 97 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 89 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 100 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 97 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 98 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 87 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 98 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 100 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 91 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 99 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 93 0 - 8.3-23.9 HA GLN 61 - HD3 LYS 19 far 0 89 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 89 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 100 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 92 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 100 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 91 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 88 0 - 8.5-27.7 HA ALA 109 - HD3 LYS 19 far 0 90 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 87 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 90 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 92 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 94 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 87 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 100 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 90 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 98 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 95 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 100 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 100 0 - 9.5-32.1 HA ALA 12 - HD2 LYS 31 far 0 99 0 - 9.6-26.0 HA ALA 12 - HD3 LYS 31 far 0 99 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 90 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 100 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 100 0 - 9.8-33.3 HA ALA 16 - HD2 LYS 26 far 0 100 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 89 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 88 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 89 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 856 from cnoeabs.peaks (1.74, 1.66, 28.90 ppm; 4.35 A): 13 out of 66 assignments used, quality = 1.00: * HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.1-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 87 87 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 43 100 45 97 2.4-15.6 639/2.9=7, 628/2.9=7...(117) HB2 LYS 31 + HD2 LYS 26 OK 39 100 40 98 3.3-16.0 639/2.9=7, 628/2.9=7...(145) HB2 LYS 26 + HD2 LYS 31 OK 29 99 30 98 4.5-13.8 10770/10771=14...(175) HB2 LYS 26 + HD3 LYS 31 OK 24 99 25 99 4.1-13.7 10770/10771=12...(196) HB2 LYS 19 + HD3 LYS 24 OK 23 99 25 94 4.7-15.4 823/3.0=4, 1.8/2632=3...(135) HB2 ARG 23 - HD2 LYS 26 poor 19 96 20 - 2.0-13.7 HB2 ARG 23 - HD3 LYS 26 poor 17 95 25 71 3.3-13.9 3.7/11449=14...(22) HB2 LYS 19 - HD2 LYS 24 far 15 99 15 - 3.7-16.1 HB2 LYS 24 - HD2 LYS 19 poor 12 89 30 45 4.1-16.1 790/5.2=1, 514/3.0=1...(4) HB2 LYS 24 - HD3 LYS 19 poor 11 89 25 48 2.7-16.8 790/5.2=1, 514/3.0=1...(5) HB2 ARG 23 - HD3 LYS 24 far 10 96 10 - 4.5-9.5 HB2 LYS 24 - HD2 LYS 31 far 5 100 5 - 4.7-17.2 HB2 LYS 26 - HD3 LYS 24 far 5 99 5 - 2.0-12.6 HB2 LYS 26 - HD2 LYS 24 far 5 99 5 - 3.6-12.6 HB2 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.6-23.5 HB2 LYS 19 - HD2 LYS 31 far 5 99 5 - 5.1-23.0 HB2 LYS 19 - HD3 LYS 26 far 5 99 5 - 5.6-21.9 HB2 ARG 23 - HD2 LYS 31 far 5 96 5 - 5.5-17.1 HB2 ARG 23 - HD2 LYS 24 far 5 96 5 - 5.8-9.7 HB2 LYS 31 - HD2 LYS 36 far 5 92 5 - 5.5-12.6 HB2 LYS 24 - HD2 LYS 36 far 5 91 5 - 3.0-25.5 HB2 LYS 24 - HD3 LYS 36 far 5 91 5 - 4.2-25.9 HB2 LYS 31 - HD2 LYS 19 far 4 90 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 4 90 5 - 5.5-29.5 HB2 LYS 26 - HD2 LYS 36 far 4 89 5 - 5.6-20.8 HB2 ARG 23 - HD3 LYS 36 far 4 84 5 - 5.5-23.2 HB2 LYS 24 - HD3 LYS 31 far 0 100 0 - 5.9-18.6 HB2 ARG 23 - HD2 LYS 36 far 0 84 0 - 6.0-22.4 HB2 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.1-12.1 HB2 LYS 26 - HD3 LYS 36 far 0 89 0 - 6.1-21.8 HB2 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.2-19.4 HB2 ARG 23 - HD3 LYS 31 far 0 96 0 - 6.2-18.0 HB2 LYS 19 - HD2 LYS 26 far 0 99 0 - 6.2-21.7 HB2 ARG 23 - HD2 LYS 19 far 0 82 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 92 0 - 6.5-12.1 HB2 LYS 26 - HD3 LYS 19 far 0 87 0 - 6.6-24.6 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.7-18.3 HB2 LEU 43 - HD3 LYS 36 far 0 78 0 - 7.0-17.8 HB2 LYS 26 - HD2 LYS 19 far 0 87 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 75 0 - 7.5-15.4 HB2 LEU 43 - HD3 LYS 24 far 0 90 0 - 7.6-30.2 HB2 LEU 43 - HD2 LYS 36 far 0 78 0 - 7.7-16.6 HB2 ARG 23 - HD3 LYS 19 far 0 82 0 - 8.0-15.0 HB2 LEU 43 - HD2 LYS 24 far 0 90 0 - 8.4-31.6 HB2 LYS 39 - HD3 LYS 24 far 0 87 0 - 8.5-31.4 HB2 LEU 43 - HD2 LYS 31 far 0 90 0 - 8.6-24.3 HB2 LYS 39 - HD2 LYS 36 far 0 75 0 - 8.9-14.2 HB3 LEU 70 - HD2 LYS 36 far 0 50 0 - 9.0-14.8 HB3 LEU 70 - HD3 LYS 36 far 0 50 0 - 9.0-15.3 HB2 LYS 19 - HD3 LYS 36 far 0 89 0 - 9.2-30.9 HB3 LEU 70 - HD2 LYS 31 far 0 60 0 - 9.3-20.2 HB2 LEU 43 - HD3 LYS 31 far 0 90 0 - 9.5-22.7 HB3 LEU 70 - HD3 LYS 31 far 0 60 0 - 9.6-19.5 HB2 LEU 43 - HD3 LYS 26 far 0 90 0 - 9.7-30.1 HB2 LYS 39 - HD2 LYS 19 far 0 72 0 - 9.8-40.0 HB2 LEU 43 - HD2 LYS 26 far 0 90 0 - 9.9-30.2 HB2 LYS 39 - HD2 LYS 24 far 0 87 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 857 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 4.18 A): 19 out of 75 assignments used, quality = 1.00: * HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-4.1 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 91 91 100 100 2.0-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.1-4.0 3.5=100 HB3 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.1-3.7 3.9=100 HB3 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.2-3.7 3.9=100 HB ILE 32 + HD2 LYS 36 OK 67 90 75 99 2.1-6.8 ~10901=30, 2.1/10837=28...(56) HB ILE 32 + HD3 LYS 36 OK 54 90 60 99 2.3-8.3 ~10901=30, 2.1/10837=27...(60) HB3 LYS 31 + HD2 LYS 26 OK 39 100 40 97 2.9-17.3 629/2.9=7, 273/2.9=5...(145) HB3 LYS 31 + HD3 LYS 26 OK 38 100 40 95 3.4-17.4 629/2.9=7, 6332/6336=5...(113) HB3 LYS 19 + HD2 LYS 24 OK 32 100 35 91 2.0-16.0 2631=4, 526/3.0=3...(117) HB3 LYS 19 + HD3 LYS 24 OK 30 100 35 86 3.5-15.3 2632=4, 526/3.0=3...(84) HB3 LYS 26 + HD2 LYS 31 OK 29 99 30 98 4.2-14.4 10769/10771=13...(192) HB ILE 32 + HD3 LYS 31 OK 26 99 30 86 4.1-9.2 3.0/10763=9, 10752/5.2=8...(57) HB ILE 32 + HD3 LYS 26 OK 25 99 30 85 4.0-17.6 3.0/10763=8, 2.1/10837=8...(45) HB2 LYS 36 - HD2 LYS 26 poor 20 100 20 - 5.1-27.9 HB3 ARG 23 - HD2 LYS 26 poor 20 97 35 59 2.9-14.2 ~11618=4, 442/5.7=4...(20) HB2 LYS 36 - HD3 LYS 26 poor 20 99 20 - 4.4-27.1 HB ILE 32 - HD2 LYS 26 poor 20 99 20 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 poor 20 99 20 - 4.5-14.4 HB3 ARG 23 - HD3 LYS 26 poor 19 96 30 66 2.9-14.6 3.7/11449=13...(15) HB3 LYS 24 - HD3 LYS 19 poor 18 89 20 - 2.0-16.3 HB ILE 32 - HD2 LYS 31 far 15 99 15 - 5.5-9.5 HB3 LYS 24 - HD2 LYS 19 far 13 89 15 - 3.7-15.7 HB3 ARG 23 - HD3 LYS 24 far 10 97 10 - 5.2-9.3 HB3 LYS 24 - HD3 LYS 36 far 9 92 10 - 5.5-25.2 HB3 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.4-17.9 HB2 LYS 36 - HD2 LYS 31 far 5 100 5 - 5.0-15.5 HB2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.7-27.6 HB3 LYS 26 - HD3 LYS 24 far 5 99 5 - 3.7-12.3 HB3 LYS 26 - HD2 LYS 24 far 5 99 5 - 5.1-12.6 HB3 LYS 24 - HD2 LYS 36 far 5 92 5 - 4.2-24.7 HB3 LYS 31 - HD2 LYS 19 far 4 90 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 4 90 5 - 4.1-28.8 HB3 ARG 23 - HD3 LYS 36 far 4 86 5 - 4.9-23.1 HB3 LEU 98 - HD3 LYS 24 far 3 65 5 - 4.2-35.7 HB3 LEU 98 - HD2 LYS 24 far 3 65 5 - 4.6-36.8 HB3 ARG 23 - HD2 LYS 36 far 0 86 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 96 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 100 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 89 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 96 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 97 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 100 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 100 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 89 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 100 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 92 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 83 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 100 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 87 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 99 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 92 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 87 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 87 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.7-11.2 HB ILE 32 - HD3 LYS 19 far 0 88 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 83 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 88 0 - 8.1-28.1 HB3 LEU 122 - HD2 LYS 24 far 0 87 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 53 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 99 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 84 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 55 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 53 0 - 9.2-37.9 HB2 CYS 79 - HD2 LYS 36 far 0 55 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 858 from cnoeabs.peaks (1.44, 1.66, 28.90 ppm; 3.30 A): 11 out of 68 assignments used, quality = 1.00: * HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.2-2.9 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 60 60 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 60 60 100 100 2.5-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 31 OK 25 100 40 63 3.3-9.3 10757/5.2=7, 6333/6.2=6...(32) HG13 ILE 32 - HD2 LYS 26 poor 18 100 30 62 2.5-16.4 ~10767=6, ~10704=5...(31) HG13 ILE 32 - HD3 LYS 31 poor 18 100 30 61 2.0-10.3 10757/5.2=7, 6333/6.2=6...(31) HG13 ILE 32 - HD3 LYS 36 poor 18 91 20 - 3.6-8.5 HG13 ILE 32 - HD2 LYS 36 poor 18 91 20 - 4.2-7.8 HG3 LYS 19 - HD3 LYS 24 far 15 100 15 - 4.4-17.3 HG13 ILE 32 - HD3 LYS 26 poor 14 100 25 57 2.0-15.6 ~10704=5, 1.8/10767=4...(31) HG3 LYS 19 - HD2 LYS 24 far 10 100 10 - 4.4-17.3 HG2 LYS 31 - HD3 LYS 26 far 10 100 10 - 4.2-17.6 HG2 LYS 26 - HD3 LYS 31 far 10 98 10 - 4.2-16.2 HG2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.5-18.0 HG2 LYS 26 - HD3 LYS 24 far 5 98 5 - 3.7-12.2 HG3 LYS 24 - HD3 LYS 19 lone 4 89 25 19 2.0-17.8 823/3.9=2, 526/3.9=2, 822/5.2=1 HG3 LYS 36 - HD3 LYS 26 far 4 70 5 - 3.6-25.1 HG3 LYS 24 - HD2 LYS 19 lone 3 89 25 15 2.7-16.7 823/3.9=2, 526/3.9=2, 822/5.2=1 QB ALA 34 - HD3 LYS 36 far 3 64 5 - 4.1-8.0 QB ALA 34 - HD2 LYS 36 far 3 64 5 - 4.7-8.0 QB ALA 34 - HD2 LYS 26 far 0 76 0 - 4.9-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 98 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 88 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 98 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 71 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 91 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 92 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 71 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 71 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 90 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 90 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 88 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 71 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 100 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 92 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 100 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 91 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 89 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 75 0 - 6.2-20.6 HG3 LYS 19 - HD3 LYS 31 far 0 100 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 71 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 89 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 100 0 - 6.8-25.5 QB ALA 34 - HD2 LYS 24 far 0 76 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 76 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 100 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 100 0 - 7.4-16.8 HG3 LYS 19 - HD3 LYS 26 far 0 100 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 100 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 100 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 76 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 76 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 85 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 85 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 96 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 96 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 57 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 57 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 859 from cnoeabs.peaks (1.39, 1.66, 28.90 ppm; 4.35 A): 11 out of 123 assignments used, quality = 1.00: * HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.2-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.3-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 55 55 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 55 55 100 100 2.5-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 29 100 30 98 3.0-16.8 834/3.5=5, 5.0/6336=4...(170) QB ALA 28 - HD3 LYS 24 poor 20 99 20 - 4.8-12.7 QB ALA 15 - HD3 LYS 31 poor 20 99 20 - 3.8-22.6 QB ALA 15 - HD2 LYS 31 poor 20 99 20 - 3.6-21.3 HG3 LYS 31 - HD2 LYS 26 poor 20 100 20 98 4.8-17.0 834/3.5=5, 835/3.5=4...(182) HG2 LYS 19 - HD3 LYS 24 poor 17 68 25 - 2.7-16.9 HG2 LYS 19 - HD2 LYS 24 poor 17 68 25 - 3.0-17.8 HG2 LYS 24 - HD3 LYS 19 poor 17 83 20 - 2.1-17.8 QB ALA 34 - HD2 LYS 36 poor 16 52 30 - 4.7-8.0 QB ALA 34 - HD3 LYS 36 poor 15 52 55 53 4.1-8.0 5.0/10854=17...(10) QB ALA 28 - HD2 LYS 24 far 15 99 15 - 4.4-13.3 QB ALA 28 - HD2 LYS 26 far 15 99 15 - 5.4-9.5 HG3 LYS 26 - HD3 LYS 31 far 15 98 15 - 3.4-15.4 HG3 LYS 26 - HD3 LYS 24 far 15 98 15 - 3.7-11.0 QB ALA 28 - HD2 LYS 31 poor 15 99 30 49 2.1-10.6 6304/10771=25, ~10771=15...(9) HG2 LYS 24 - HD2 LYS 19 poor 13 83 25 62 3.2-16.1 793/5.2=2, 835/3.9=2...(5) QB ALA 15 - HD2 LYS 19 far 13 86 15 - 3.7-12.8 QB ALA 15 - HD3 LYS 19 far 13 86 15 - 3.8-12.9 QB ALA 28 - HD3 LYS 31 poor 12 99 25 49 2.9-9.7 6304/10771=21, ~10771=18...(9) QB ALA 29 - HD3 LYS 31 poor 12 97 30 41 3.0-9.8 ~10782=21, 3.7/7749=6...(9) HG3 LYS 26 - HD2 LYS 31 far 10 98 10 - 3.6-15.7 HG3 LYS 26 - HD2 LYS 24 far 10 98 10 - 5.3-11.0 QB ALA 29 - HD2 LYS 26 far 10 97 10 - 4.7-11.1 QB ALA 29 - HD3 LYS 26 far 10 97 10 - 4.5-11.4 QB ALA 29 - HD2 LYS 31 poor 9 97 25 39 2.5-9.8 ~10782=21, 3.7/7749=5...(7) HG3 LYS 31 - HD3 LYS 36 far 9 92 10 - 4.6-13.4 HG3 LYS 31 - HD2 LYS 36 far 9 92 10 - 4.8-13.4 HG3 LYS 26 - HD2 LYS 36 far 9 88 10 - 4.8-22.9 QB ALA 28 - HD3 LYS 19 far 9 87 10 - 4.6-21.9 HB2 LEU 42 - HD3 LYS 36 far 8 84 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 8 84 10 - 4.0-11.4 HG2 LYS 95 - HD3 LYS 24 far 5 100 5 - 4.1-36.2 QB ALA 109 - HD2 LYS 26 far 5 100 5 - 4.4-27.7 HG2 LYS 95 - HD2 LYS 24 far 5 100 5 - 4.4-37.2 HG3 LYS 95 - HD2 LYS 24 far 5 100 5 - 3.4-37.4 HG3 LYS 95 - HD3 LYS 24 far 5 100 5 - 3.7-36.4 QB ALA 109 - HD3 LYS 26 far 5 100 5 - 5.1-28.1 QB ALA 108 - HD3 LYS 24 far 5 99 5 - 4.5-33.1 QB ALA 108 - HD2 LYS 24 far 5 99 5 - 5.1-33.9 QB ALA 108 - HD3 LYS 26 far 5 99 5 - 4.8-26.0 QB ALA 15 - HD3 LYS 24 far 5 99 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 5 99 5 - 3.6-30.2 QB ALA 110 - HD3 LYS 26 far 5 98 5 - 2.4-29.3 QB ALA 15 - HD2 LYS 24 far 5 99 5 - 4.1-17.3 QB ALA 29 - HD3 LYS 24 far 5 97 5 - 5.3-12.6 QB ALA 29 - HD2 LYS 24 far 5 97 5 - 5.3-13.3 HG2 LYS 36 - HD3 LYS 26 far 5 97 5 - 5.1-24.7 HG2 LYS 24 - HD2 LYS 26 far 5 97 5 - 5.8-11.1 HG2 LYS 24 - HD3 LYS 26 far 5 96 5 - 5.2-11.4 QB ALA 16 - HD2 LYS 24 far 5 93 5 - 4.9-17.1 QB ALA 16 - HD3 LYS 24 far 5 93 5 - 5.7-16.6 QB ALA 16 - HD2 LYS 31 far 5 93 5 - 5.3-24.0 HG3 LYS 31 - HD3 LYS 19 far 4 90 5 - 4.1-26.6 HG3 LYS 31 - HD2 LYS 19 far 4 90 5 - 4.6-25.3 QB ALA 29 - HD3 LYS 36 far 4 87 5 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 4 87 5 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 4 86 5 - 5.3-25.5 QB ALA 16 - HD2 LYS 19 far 4 79 5 - 4.8-11.3 QB ALA 16 - HD3 LYS 19 far 4 79 5 - 5.4-11.1 QB ALA 34 - HD2 LYS 26 far 3 63 5 - 4.9-20.3 HG2 LYS 36 - HD2 LYS 26 far 0 97 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 100 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 87 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 88 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 99 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 99 0 - 6.2-9.2 QB ALA 34 - HD3 LYS 26 far 0 62 0 - 6.2-20.6 HG2 LYS 36 - HD2 LYS 31 far 0 97 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 93 0 - 6.3-25.2 HG2 LYS 24 - HD3 LYS 36 far 0 86 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 89 0 - 6.6-41.1 HG2 LYS 36 - HD3 LYS 31 far 0 97 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 82 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 97 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 86 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 68 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 97 0 - 7.0-17.3 QB ALA 34 - HD2 LYS 24 far 0 63 0 - 7.0-21.4 HG2 LYS 24 - HD2 LYS 31 far 0 96 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 84 0 - 7.0-21.3 QB ALA 34 - HD3 LYS 24 far 0 63 0 - 7.1-22.6 QB ALA 109 - HD2 LYS 19 far 0 89 0 - 7.1-42.5 QB ALA 15 - HD2 LYS 26 far 0 99 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 89 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 68 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 98 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 82 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 84 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 99 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 19 far 0 86 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 68 0 - 7.8-23.7 QB ALA 109 - HD3 LYS 24 far 0 100 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 97 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 89 0 - 8.2-25.1 QB ALA 34 - HD3 LYS 31 far 0 63 0 - 8.2-12.5 QB ALA 108 - HD3 LYS 31 far 0 99 0 - 8.2-26.1 QB ALA 28 - HD3 LYS 36 far 0 89 0 - 8.2-14.4 QB ALA 34 - HD2 LYS 31 far 0 63 0 - 8.3-12.7 QB ALA 109 - HD2 LYS 24 far 0 100 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 89 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 68 0 - 8.4-23.4 QB ALA 16 - HD2 LYS 26 far 0 93 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 93 0 - 8.7-20.3 QB ALA 108 - HD3 LYS 19 far 0 88 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 88 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 85 0 - 9.2-24.1 HG3 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 99 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 84 0 - 9.4-35.1 HG2 LYS 19 - HD3 LYS 36 far 0 57 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 95 0 - 9.8-27.9 HB2 LEU 96 - HD3 LYS 24 far 0 97 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 860 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 88 88 - 100 HD3 LYS 36 + HD3 LYS 36 OK 88 88 - 100 HD3 LYS 19 + HD3 LYS 19 OK 82 82 - 100 HD2 LYS 19 + HD2 LYS 19 OK 82 82 - 100 Reference assignment not found: HD2 LYS 31 - HD3 LYS 31 Peak 861 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 * HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 87 87 - 100 HD3 LYS 36 + HD3 LYS 36 OK 87 87 - 100 HD3 LYS 19 + HD3 LYS 19 OK 83 83 - 100 HD2 LYS 19 + HD2 LYS 19 OK 83 83 - 100 Peak 862 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 3.74 A): 20 out of 104 assignments used, quality = 1.00: * HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 91 91 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.2-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 90 90 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 90 90 100 100 2.4-3.0 2.9=100 HE2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HE3 LYS 36 - HD3 LYS 26 poor 20 100 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 20 99 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 18 91 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 17 85 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 17 85 20 - 2.7-18.2 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 15 100 15 - 3.3-25.8 HE2 LYS 26 - HD2 LYS 36 far 14 91 15 - 3.3-25.2 HE3 LYS 24 - HD3 LYS 19 far 13 89 15 - 2.2-19.0 HB2 CYS 45 - HD3 LYS 36 poor 13 66 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 13 66 20 - 4.5-10.8 HE2 LYS 19 - HD3 LYS 24 far 10 99 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 10 99 10 - 1.9-25.5 HE2 LYS 31 - HD2 LYS 36 far 9 92 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 92 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 9 91 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 91 10 - 3.6-14.4 HE3 LYS 24 - HD2 LYS 19 far 9 89 10 - 2.9-18.4 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 3.6-17.7 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE2 LYS 26 - HD3 LYS 31 far 5 100 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.9-15.3 HE3 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.0-18.2 HE3 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.6-14.9 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.2-17.8 HE2 LYS 36 - HD3 LYS 31 far 5 99 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 31 far 5 99 5 - 4.6-13.1 HE2 LYS 24 - HD3 LYS 31 far 5 98 5 - 4.7-18.8 HE2 LYS 26 - HD3 LYS 36 far 5 91 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 5 91 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 24 far 0 99 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 99 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 100 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 97 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 52 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 100 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 99 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 98 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 88 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 90 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 100 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 90 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 97 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 78 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 78 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 52 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 98 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 88 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 98 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 100 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 78 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 89 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 91 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 78 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 89 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 100 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 78 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 89 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 89 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 99 0 - 7.9-25.4 HE3 LYS 24 - HD3 LYS 36 far 0 91 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 78 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 99 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 87 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 89 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 87 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 89 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 863 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 3.73 A): 20 out of 102 assignments used, quality = 1.00: HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 89 89 100 100 2.3-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 89 89 100 100 2.4-3.0 2.9=100 HE2 LYS 36 + HD2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HE3 LYS 36 - HD3 LYS 26 poor 20 99 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 19 97 20 - 2.9-24.6 HE3 LYS 26 - HD2 LYS 36 poor 18 92 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 poor 16 82 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 16 82 20 - 2.7-18.2 HE3 LYS 19 - HD3 LYS 24 far 15 100 15 - 3.7-17.8 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 15 99 15 - 3.3-25.8 HE2 LYS 26 - HD2 LYS 36 far 14 92 15 - 3.3-25.2 HE3 LYS 24 - HD3 LYS 19 far 13 88 15 - 2.2-19.0 HB2 CYS 45 - HD3 LYS 36 poor 12 60 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 12 60 20 - 4.5-10.8 HE2 LYS 19 - HD3 LYS 24 far 10 98 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 10 97 10 - 1.9-25.5 HE3 LYS 26 - HD3 LYS 36 far 9 92 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 9 92 10 - 3.6-14.4 HE2 LYS 31 - HD2 LYS 36 far 9 91 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 9 91 10 - 4.3-13.8 HE3 LYS 24 - HD2 LYS 19 far 9 88 10 - 2.9-18.4 HE3 LYS 26 - HD3 LYS 31 far 5 100 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 5 100 5 - 3.3-15.6 HE2 LYS 26 - HD3 LYS 31 far 5 100 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 5 100 5 - 4.9-15.3 HE3 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.6-14.9 HE2 LYS 31 - HD3 LYS 26 far 5 100 5 - 4.2-14.6 HE3 LYS 26 - HD2 LYS 31 far 5 100 5 - 5.2-17.8 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 31 far 5 97 5 - 4.3-12.0 HE2 LYS 36 - HD2 LYS 31 far 5 97 5 - 4.6-13.1 HE2 LYS 24 - HD3 LYS 31 far 5 96 5 - 4.7-18.8 HE2 LYS 26 - HD3 LYS 36 far 5 92 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 5 92 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 24 far 0 97 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 98 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 99 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 99 0 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 31 far 0 99 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 97 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 100 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 96 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 100 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 84 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 89 0 - 6.4-27.0 HE3 LYS 24 - HD2 LYS 31 far 0 99 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 100 0 - 6.6-12.2 HE2 LYS 31 - HD3 LYS 19 far 0 89 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 99 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 70 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 71 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 96 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 99 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 84 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 99 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 71 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 90 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 90 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 71 0 - 7.6-23.9 HE3 LYS 31 - HD2 LYS 19 far 0 90 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 71 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 88 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 88 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 98 0 - 7.9-25.4 HE3 LYS 24 - HD3 LYS 36 far 0 90 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 71 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 100 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 84 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 90 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 84 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 90 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 865 from cnoeabs.peaks (8.23, 2.96, 41.80 ppm; 6.80 A): 15 out of 52 assignments used, quality = 1.00: * H LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-6.5 6332/4.8=90, 6331/4.8=90...(54) H LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.8-6.4 6332/4.8=90, 6331/4.8=90...(53) H SER 33 + HE3 LYS 36 OK 99 100 100 99 2.1-6.5 10896/7.3=57, ~10775=43...(14) H SER 33 + HE2 LYS 36 OK 96 97 100 99 2.2-6.4 10896/7.3=57, ~10775=43...(14) H ARG 23 + HE2 LYS 24 OK 63 87 85 86 5.0-10.0 6211/7.4=62, 821/4.0=21...(31) H ARG 23 + HE3 LYS 24 OK 62 95 75 87 4.6-9.6 6211/7.4=62, 821/4.0=21...(36) H LYS 31 + HE2 LYS 26 OK 52 100 60 88 4.5-16.1 6338=14, 6338/1.8=12...(56) H LYS 31 + HE3 LYS 26 OK 52 100 60 87 4.7-16.1 6338=14, 6338/1.8=12...(56) H SER 33 + HE2 LYS 26 OK 32 100 60 54 2.8-21.4 6362/10840=15...(11) H SER 33 + HE3 LYS 26 OK 32 100 60 53 2.1-20.9 6362/10840=15...(10) H GLU 30 + HE2 LYS 31 OK 30 60 95 52 4.1-8.6 4.6/6337=17, 416/6.5=10...(9) H GLU 30 + HE3 LYS 31 OK 28 59 90 52 4.7-8.7 4.6/6338=17, 416/6.5=10...(9) H ARG 23 + HE2 LYS 26 OK 26 95 50 55 2.4-14.2 5.0/11618=11, 6203/316=2...(44) H LYS 31 + HE3 LYS 36 OK 24 100 65 36 6.1-13.3 10802/10813=11, 6337=6...(7) H SER 33 + HE2 LYS 31 OK 22 100 70 32 5.2-10.1 4.4/10825=11...(6) H ARG 23 - HE3 LYS 26 poor 20 95 40 52 4.1-14.0 5.0/11618=7, 2.9/1051=2...(43) H SER 33 - HE3 LYS 31 poor 20 100 70 29 5.0-10.4 6362/10840=9...(6) H LYS 31 - HE2 LYS 24 poor 19 94 20 - 4.8-17.2 H ALA 29 - HE2 LYS 26 poor 18 91 65 30 3.4-12.3 821/3.6=5, 799/4.8=5...(8) H ALA 29 - HE3 LYS 26 poor 16 91 60 29 3.0-12.5 821/3.6=5, 799/4.8=5...(8) H ARG 23 - HE3 LYS 19 far 14 96 15 - 7.9-14.9 H LYS 31 - HE2 LYS 36 poor 14 97 40 37 5.8-13.2 10802/10813=12...(5) H ALA 29 - HE3 LYS 31 poor 13 91 45 31 5.5-10.4 934/9008=4, 832/3.7=3...(7) H ALA 29 - HE2 LYS 31 poor 12 92 40 32 6.2-10.2 934/10804=4, 832/3.7=3...(8) H ARG 23 - HE2 LYS 31 far 10 96 10 - 7.2-19.3 H ARG 23 - HE3 LYS 36 far 9 95 10 - 7.1-26.8 H ARG 23 - HE3 LYS 31 far 9 95 10 - 7.3-20.3 H ARG 23 - HE2 LYS 19 far 9 92 10 - 7.9-13.6 H ALA 29 - HE3 LYS 24 far 9 91 10 - 8.1-14.1 H ARG 23 - HE2 LYS 36 far 9 90 10 - 6.2-26.2 H ALA 29 - HE2 LYS 24 far 8 82 10 - 6.9-13.4 H ALA 29 - HE3 LYS 36 lone 6 91 35 18 5.3-15.8 934/10804=6, 910/10766=6 H GLU 30 - HE2 LYS 26 lone 6 59 55 17 4.5-13.7 4.6/6338=9, 4.6/6338=2...(4) H GLU 30 - HE2 LYS 24 far 5 52 10 - 5.8-15.3 H LYS 31 - HE3 LYS 19 far 5 100 5 - 5.7-25.3 H SER 107 - HE3 LYS 26 far 5 100 5 - 6.0-26.9 H LYS 31 - HE3 LYS 24 far 5 100 5 - 6.3-17.7 H SER 33 - HE3 LYS 24 far 5 100 5 - 6.9-22.8 H SER 107 - HE2 LYS 26 far 5 100 5 - 7.5-28.5 H LYS 31 - HE2 LYS 19 far 5 98 5 - 6.0-25.6 H GLU 30 - HE3 LYS 26 lone 5 59 50 16 4.4-14.0 4.6/6338=9, 4.6/6338=1...(4) H SER 33 - HE2 LYS 24 far 5 94 5 - 6.4-22.6 H ALA 29 - HE2 LYS 36 lone 4 86 30 17 5.5-15.1 934/9008=7, 910/10766=5 H GLU 30 - HE3 LYS 19 far 3 60 5 - 6.7-24.3 H GLU 30 - HE3 LYS 24 far 3 59 5 - 7.3-16.1 H GLU 30 - HE2 LYS 19 far 3 56 5 - 7.5-24.8 H GLU 30 - HE3 LYS 36 lone 3 59 45 10 5.7-14.8 4.6/6337=4, 7747/9008=2 H GLU 30 - HE2 LYS 36 lone 2 55 40 9 6.4-14.4 7747/9008=2, 4.6/6337=2 H SER 107 - HE3 LYS 31 far 0 100 0 - 8.3-30.2 H ALA 29 - HE3 LYS 19 far 0 92 0 - 8.9-23.1 H SER 107 - HE2 LYS 31 far 0 100 0 - 9.8-30.6 H ALA 29 - HE2 LYS 19 far 0 88 0 - 9.8-23.8 Violated in 0 structures by 0.00 A. Peak 866 from cnoeabs.peaks (4.28, 2.96, 41.80 ppm; 5.57 A): 26 out of 147 assignments used, quality = 1.00: HA LYS 36 + HE3 LYS 36 OK 99 100 100 100 2.9-6.5 6.0=82, 3.0/1064=39...(24) * HA LYS 31 + HE2 LYS 31 OK 98 100 100 98 1.9-5.7 6.5=64, 822/3.7=30...(29) HA LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.5-5.6 6.5=64, 822/3.7=30...(28) HA LYS 36 + HE2 LYS 36 OK 96 97 100 100 3.9-6.2 6.0=82, 3.0/1064=39...(25) HA LYS 19 + HE3 LYS 19 OK 96 97 100 98 2.0-5.4 6.4=67, 627/3.8=28...(34) HA LYS 26 + HE2 LYS 26 OK 95 98 100 97 2.7-6.4 6.6=60, 627/3.6=31...(23) HA LYS 26 + HE3 LYS 26 OK 95 98 100 97 3.4-6.0 6.6=60, 627/3.6=31...(23) HA LYS 19 + HE2 LYS 19 OK 93 94 100 98 3.2-5.7 6.4=67, 627/3.8=28...(34) HA PHE 87 + HE3 LYS 86 OK 82 93 90 98 3.9-7.4 4.9/2704=72...(13) HA THR 18 + HE3 LYS 19 OK 62 92 80 84 4.3-9.2 10686/3.8=53, 226/7.3=38...(8) HA THR 25 + HE2 LYS 24 OK 55 84 70 94 2.0-8.6 11128/5.1=33, 9587=26...(16) HA THR 25 + HE2 LYS 26 OK 51 92 60 92 2.9-9.2 582/7.1=43, 11150/3.6=29...(13) HA THR 18 + HE2 LYS 19 OK 44 88 60 84 2.7-8.8 10686/3.8=53, 226/7.3=38...(8) HA LYS 19 + HE3 LYS 24 OK 44 97 50 91 2.9-16.7 822/4.0=6, 793/4.0=5...(127) HA THR 25 + HE3 LYS 24 OK 43 92 50 94 2.3-9.0 11128/5.1=33...(15) HA THR 25 + HE3 LYS 26 OK 43 92 50 92 2.2-9.3 582/7.1=43, 11150/3.6=29...(13) HA ARG 23 + HE2 LYS 26 OK 34 97 55 64 2.7-12.5 3.8/11618=10, 627/3.6=3...(32) HA LYS 31 + HE3 LYS 26 OK 34 100 35 98 5.3-18.9 3.0/6338=7, ~6338=6...(173) HA LYS 19 + HE2 LYS 24 OK 33 89 40 93 1.9-16.1 822/4.0=6, 793/4.0=5...(160) HA ARG 23 + HE3 LYS 26 OK 31 97 50 65 2.0-13.5 3.8/11618=6, 627/3.6=3...(36) HA LYS 26 + HE3 LYS 31 OK 31 98 35 92 4.4-13.1 790/4.8=7, 822/3.7=7...(133) HA LYS 26 + HE2 LYS 31 OK 31 99 35 91 5.0-12.6 790/4.8=7, 822/3.7=7...(131) HA LYS 31 + HE2 LYS 26 OK 29 100 30 97 5.0-18.9 3.0/6338=7, ~6338=6...(173) HA LYS 36 + HE3 LYS 26 OK 26 100 35 76 3.5-29.4 3.0/1004=11, ~1004=8...(36) HA ARG 23 + HE2 LYS 24 OK 23 90 40 65 6.3-9.4 424/7.4=38, 833/4.0=8...(15) HA ARG 23 + HE3 LYS 24 OK 21 97 35 63 5.5-9.3 424/7.4=38, 833/4.0=8...(14) HA ALA 12 - HE3 LYS 19 poor 20 99 20 - 4.5-19.2 HA LYS 36 - HE2 LYS 26 poor 19 100 25 77 3.2-29.7 3.0/1004=10, ~1004=8...(41) HA THR 25 - HE2 LYS 31 poor 19 93 20 - 3.1-14.8 HA THR 18 - HE3 LYS 24 poor 18 91 20 - 4.1-17.6 HA THR 18 - HE2 LYS 24 poor 16 82 20 - 4.8-17.4 HA LYS 31 - HE3 LYS 36 poor 16 100 50 31 4.8-12.9 10753/10804=4...(5) HA ALA 16 - HE3 LYS 19 far 15 100 15 - 4.9-11.6 HA ALA 16 - HE2 LYS 19 far 15 98 15 - 5.1-12.4 HA LYS 26 - HE3 LYS 36 far 15 98 15 - 6.7-22.7 HA LEU 22 - HE2 LYS 26 far 15 97 15 - 4.0-14.7 HA ARG 23 - HE3 LYS 36 far 15 97 15 - 6.1-25.9 HA THR 25 - HE3 LYS 31 far 14 92 15 - 2.8-14.8 HA LEU 22 - HE3 LYS 24 poor 12 97 40 31 1.9-11.8 11967/4.0=13, 6212/7.4=8...(8) HA LEU 22 - HE2 LYS 24 poor 11 90 40 30 3.0-11.0 11967/4.0=13, 6212/7.4=8...(7) HA ALA 16 - HE3 LYS 31 far 10 100 10 - 5.0-28.0 HA ALA 15 - HE2 LYS 31 far 10 99 10 - 5.4-27.5 HA ARG 23 - HE2 LYS 31 far 10 98 10 - 6.0-17.4 HA LYS 26 - HE3 LYS 24 far 10 98 10 - 6.6-11.5 HA LEU 22 - HE3 LYS 26 far 10 97 10 - 5.2-15.2 HA LYS 26 - HE2 LYS 36 far 9 94 10 - 5.2-22.3 HA ARG 23 - HE2 LYS 36 far 9 94 10 - 5.7-25.3 HA ALA 21 - HE2 LYS 26 far 9 94 10 - 6.8-17.6 HA THR 25 - HE3 LYS 36 far 9 92 10 - 5.5-23.8 HA THR 18 - HE2 LYS 31 far 9 92 10 - 5.9-25.3 HA THR 18 - HE3 LYS 31 far 9 91 10 - 5.3-25.8 HA LYS 26 - HE2 LYS 24 far 9 91 10 - 5.6-11.4 HA LYS 31 - HE2 LYS 36 poor 9 97 25 36 5.5-13.1 10753/9008=4, ~6337=2...(8) HA ARG 84 - HE3 LYS 86 far 6 57 10 - 7.1-8.5 HA ALA 109 - HE3 LYS 26 far 5 100 5 - 4.2-32.2 HA GLN 61 - HE2 LYS 26 far 5 99 5 - 2.5-26.5 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 5.6-27.5 HA ALA 108 - HE3 LYS 26 far 5 100 5 - 4.9-30.3 HA ALA 16 - HE2 LYS 31 far 5 100 5 - 6.3-27.2 HA GLN 61 - HE3 LYS 26 far 5 99 5 - 3.6-26.6 HA ALA 109 - HE3 LYS 19 far 5 100 5 - 6.5-51.9 HA ALA 16 - HE3 LYS 24 far 5 100 5 - 5.5-21.7 HA ALA 109 - HE2 LYS 26 far 5 100 5 - 5.8-33.8 HA GLN 61 - HE2 LYS 31 far 5 100 5 - 6.6-24.3 HA ALA 16 - HE3 LYS 36 far 5 100 5 - 6.3-32.1 HA ALA 108 - HE2 LYS 26 far 5 100 5 - 6.6-31.8 HA ALA 108 - HE3 LYS 31 far 5 100 5 - 6.8-33.7 HA GLN 61 - HE3 LYS 24 far 5 99 5 - 6.3-26.7 HA GLN 61 - HE3 LYS 31 far 5 99 5 - 6.4-25.1 HA ALA 15 - HE3 LYS 24 far 5 98 5 - 2.7-24.2 HA ALA 110 - HE3 LYS 26 far 5 98 5 - 5.9-33.9 HA LYS 31 - HE2 LYS 19 far 5 98 5 - 5.1-27.7 HA ALA 15 - HE3 LYS 31 far 5 98 5 - 5.9-26.5 HA LYS 19 - HE3 LYS 31 far 5 97 5 - 6.8-26.4 HA ALA 16 - HE2 LYS 24 far 5 94 5 - 5.1-21.6 HA LYS 31 - HE2 LYS 24 far 5 94 5 - 6.0-19.7 HA LYS 36 - HE2 LYS 24 far 5 94 5 - 6.4-29.6 HA ALA 21 - HE3 LYS 36 far 5 94 5 - 6.5-28.1 HA GLN 61 - HE2 LYS 24 far 5 93 5 - 5.8-25.5 HA ALA 15 - HE2 LYS 24 far 5 91 5 - 3.2-24.3 HA THR 18 - HE3 LYS 36 far 5 91 5 - 5.0-33.6 HA THR 25 - HE2 LYS 36 far 4 88 5 - 4.9-23.1 HA THR 18 - HE2 LYS 36 far 4 86 5 - 6.5-32.9 HA ALA 21 - HE3 LYS 24 lone 1 94 40 3 2.0-13.7 HA ALA 21 - HE2 LYS 24 lone 1 85 30 3 2.6-12.5 HA ALA 15 - HE2 LYS 19 lone 1 96 35 2 2.2-14.3 HA ALA 12 - HE2 LYS 19 lone 1 96 25 2 3.7-20.1 HA ALA 15 - HE3 LYS 19 lone 0 99 25 2 2.0-14.9 HA ALA 108 - HE3 LYS 19 far 0 100 0 - 7.1-50.0 HA ARG 23 - HE3 LYS 31 far 0 97 0 - 7.1-18.5 HA LYS 36 - HE3 LYS 31 far 0 100 0 - 7.1-15.1 HA ALA 21 - HE2 LYS 36 far 0 89 0 - 7.2-27.3 HA ALA 21 - HE3 LYS 31 far 0 94 0 - 7.2-21.7 HA LYS 31 - HE3 LYS 24 far 0 100 0 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 0 100 0 - 7.3-13.7 HA LYS 36 - HE3 LYS 24 far 0 100 0 - 7.3-29.3 HA LYS 19 - HE2 LYS 31 far 0 97 0 - 7.4-25.6 HA THR 25 - HE2 LYS 19 far 0 89 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 98 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 95 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 98 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 93 0 - 7.5-20.7 HA ALA 108 - HE2 LYS 31 far 0 100 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 97 0 - 7.5-31.5 HA LYS 19 - HE2 LYS 26 far 0 97 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 94 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 98 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 100 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 95 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 98 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 95 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 99 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 99 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 96 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 97 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 91 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 94 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 95 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 97 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 93 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 91 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 98 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 96 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 91 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 94 0 - 8.9-40.0 HA LYS 19 - HE3 LYS 26 far 0 97 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 99 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 99 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 100 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 96 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 100 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 100 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 98 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 98 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 88 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 91 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 98 0 - 9.6-27.2 HA LYS 19 - HE2 LYS 36 far 0 93 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 94 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 91 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 94 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 100 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 92 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 97 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 92 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 867 from cnoeabs.peaks (1.74, 2.96, 41.80 ppm; 6.71 A): 21 out of 64 assignments used, quality = 1.00: * HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 99 99 100 100 3.1-5.1 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.8-5.0 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.6-5.5 4.8=100 HB ILE 80 + HE3 LYS 86 OK 98 98 100 100 2.3-7.3 ~11243=93, 9729/2704=90...(24) HB2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 3.2-5.1 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 93 93 100 100 2.0-4.5 5.1=100 HG3 ARG 90 + HE3 LYS 86 OK 84 94 90 99 4.2-9.7 11932/9655=82...(9) HB2 LYS 31 + HE2 LYS 26 OK 64 100 65 99 3.2-17.5 6331/6338=10, 639/3.6=9...(164) HB2 LYS 31 + HE3 LYS 26 OK 64 100 65 99 3.4-17.3 6331/6338=9, 639/3.6=9...(159) HB2 LYS 26 + HE2 LYS 31 OK 61 99 65 94 4.4-12.8 834/3.7=9, 799/7.1=8...(129) HB2 LYS 26 + HE3 LYS 31 OK 51 98 55 94 4.2-12.2 834/3.7=9, 799/7.1=8...(129) HB2 LYS 19 + HE3 LYS 24 OK 48 98 50 97 5.3-18.0 823/4.0=6, 1.8/2634=5...(166) HB2 ARG 23 + HE2 LYS 26 OK 43 95 60 75 3.9-14.3 3.0/11618=13, ~11618=8...(66) HB2 ARG 23 + HE3 LYS 26 OK 39 95 55 74 3.3-14.8 ~11618=12, 3.0/11618=9...(65) HB2 LYS 19 + HE2 LYS 24 OK 31 92 35 97 4.1-17.5 823/4.0=6, 1.8/2634=5...(165) HB2 LYS 24 + HE2 LYS 19 OK 26 98 35 75 3.8-18.2 790/6.4=3, 613=2...(74) HB2 LYS 24 + HE3 LYS 19 OK 24 100 35 68 4.9-17.5 2.9/532=3, 790/6.4=3...(57) HB2 ARG 23 + HE3 LYS 24 OK 23 95 35 70 5.8-11.2 6213/7.4=30, 481/6.4=14...(37) HB2 LYS 31 - HE3 LYS 36 poor 18 100 55 33 4.9-12.6 6331/6337=4, 807=2, 1.8/2634=2 HB2 ARG 23 - HE2 LYS 24 poor 18 87 30 69 6.2-11.2 6213/7.4=30, 481/6.4=14...(34) HB2 LYS 26 - HE3 LYS 24 far 15 98 15 - 4.4-13.6 HB2 ARG 23 - HE3 LYS 36 far 14 95 15 - 4.0-24.1 HB2 ARG 23 - HE3 LYS 31 far 14 95 15 - 5.7-20.0 HB2 ARG 23 - HE2 LYS 36 far 14 90 15 - 3.8-23.4 HB2 LYS 31 - HE2 LYS 36 poor 13 97 35 37 3.5-12.9 6331/6337=2, 808/1.8=1...(5) HB2 LYS 24 - HE2 LYS 26 poor 11 99 50 21 5.6-12.3 11151/9587=6, 834/3.6=2 HB2 LYS 31 - HE3 LYS 19 far 10 100 10 - 7.1-27.9 HB2 LYS 31 - HE3 LYS 24 far 10 100 10 - 5.8-20.7 HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 6.9-18.8 HB2 LYS 24 - HE3 LYS 31 far 10 99 10 - 6.7-18.7 HB2 LYS 19 - HE2 LYS 31 far 10 99 10 - 5.2-25.0 HB2 LYS 19 - HE3 LYS 31 far 10 98 10 - 5.9-25.9 HB2 LYS 19 - HE2 LYS 26 far 10 98 10 - 6.8-24.3 HB2 LYS 24 - HE2 LYS 36 far 10 96 10 - 1.9-26.5 HB2 ARG 23 - HE2 LYS 31 far 10 96 10 - 7.1-18.8 HB2 LYS 31 - HE2 LYS 24 far 9 94 10 - 4.9-20.2 HB2 LYS 26 - HE2 LYS 24 far 9 92 10 - 4.0-13.1 HB2 LYS 26 - HE3 LYS 36 poor 9 98 40 22 4.9-22.7 10748/10721=3 HB2 LEU 43 - HE3 LYS 36 far 9 89 10 - 6.8-18.1 HB2 LYS 24 - HE3 LYS 26 poor 9 99 35 24 5.3-12.3 11151/9587=8, 834/3.6=2 HB2 LYS 26 - HE2 LYS 36 poor 7 95 35 22 3.3-22.3 10748/10721=3 HB2 LYS 24 - HE3 LYS 36 far 5 99 5 - 3.6-27.4 HB2 LYS 19 - HE3 LYS 26 far 5 98 5 - 8.0-24.1 HB2 LYS 31 - HE2 LYS 19 far 5 98 5 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 5 96 5 - 7.5-16.1 HB2 LEU 43 - HE2 LYS 31 far 5 90 5 - 7.6-24.1 HB3 LEU 70 - HE3 LYS 36 far 3 59 5 - 7.6-17.6 HB3 LEU 70 - HE2 LYS 36 far 3 55 5 - 7.2-17.1 HB2 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.2-24.9 HB2 LEU 43 - HE2 LYS 36 far 0 85 0 - 8.5-17.0 HB2 LYS 19 - HE3 LYS 36 far 0 98 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 96 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 86 0 - 8.9-15.9 HB3 LEU 70 - HE2 LYS 31 far 0 60 0 - 8.9-21.5 HB2 ARG 23 - HE2 LYS 19 far 0 92 0 - 8.9-16.3 HB3 LEU 70 - HE3 LYS 31 far 0 59 0 - 9.1-20.8 HB2 LEU 43 - HE3 LYS 31 far 0 89 0 - 9.3-24.7 HG13 ILE 129 - HE3 LYS 86 far 0 99 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 81 0 - 9.7-15.5 HB2 LEU 43 - HE3 LYS 24 far 0 89 0 - 9.7-31.8 HB2 LYS 39 - HE3 LYS 24 far 0 86 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 868 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 5.30 A): 27 out of 75 assignments used, quality = 1.00: * HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-4.5 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-5.4 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.3-5.0 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.1-4.9 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.3-4.7 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-5.1 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 86 86 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 36 OK 76 96 80 99 3.4-7.6 10833/3.0=25...(57) HB ILE 32 + HE3 LYS 36 OK 74 99 75 99 2.0-7.9 2.1/10721=28...(56) HB ILE 32 + HE3 LYS 26 OK 55 99 60 92 4.6-19.4 2.1/10721=15, ~10840=12...(59) HB ILE 32 + HE2 LYS 26 OK 50 99 55 93 4.8-19.8 2.1/10840=15, ~10721=12...(60) HB ILE 32 + HE2 LYS 31 OK 50 99 55 91 4.3-9.5 3.2/10804=12, 10825=12...(60) HB3 LYS 31 + HE2 LYS 26 OK 47 100 50 95 2.2-19.2 629/3.6=9, 273/3.6=6...(132) HB3 LYS 31 + HE3 LYS 26 OK 42 100 45 95 3.3-19.0 629/3.6=9, 273/3.6=6...(119) HB ILE 32 + HE3 LYS 31 OK 41 99 45 92 4.6-10.3 10825/1.8=10...(60) HB3 LYS 19 + HE3 LYS 24 OK 40 100 45 89 3.9-16.9 2634=4, 2634/1.8=4...(115) HB2 LYS 36 + HE3 LYS 26 OK 34 99 45 76 2.6-28.9 1.8/1003=12, ~1004=9...(27) HB3 LYS 19 + HE2 LYS 24 OK 29 94 35 90 2.6-16.3 2634=5, 3.0/11770=4...(117) HB3 ARG 23 + HE2 LYS 26 OK 29 96 50 60 3.0-13.9 3.0/11618=10, ~11618=6...(39) HB3 ARG 23 + HE3 LYS 26 OK 28 96 50 59 2.6-15.2 ~11618=8, 3.0/11618=7...(41) HB2 LYS 36 + HE2 LYS 26 OK 28 99 35 81 2.4-29.4 1.8/1004=11, ~1004=9...(35) HB3 LYS 26 + HE2 LYS 31 OK 26 99 30 86 3.9-12.8 824/3.7=6, 835/3.7=5...(92) HB3 LYS 26 + HE3 LYS 31 OK 25 98 30 86 4.4-13.0 824/3.7=6, 835/3.7=5...(90) HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 LYS 24 - HE2 LYS 19 poor 20 98 20 - 3.5-17.2 HB3 LYS 24 - HE3 LYS 19 poor 15 100 25 60 4.6-17.1 2.9/1025=2, 815/3.8=1...(30) HB3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.9-14.1 HB2 LYS 36 - HE2 LYS 31 far 15 100 15 - 6.2-12.8 HB2 LYS 36 - HE3 LYS 31 far 15 99 15 - 5.6-14.2 HB3 LYS 31 - HE2 LYS 36 far 15 97 15 - 5.3-14.3 HB3 LYS 26 - HE2 LYS 36 far 14 95 15 - 4.2-22.7 HB3 ARG 23 - HE3 LYS 36 far 10 96 10 - 4.4-24.0 HB3 ARG 23 - HE3 LYS 31 far 10 96 10 - 5.4-20.0 HB3 LYS 31 - HE2 LYS 24 far 9 94 10 - 6.0-19.3 HB3 ARG 23 - HE2 LYS 36 far 9 92 10 - 3.5-23.5 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.5-26.1 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 19 - HE2 LYS 26 far 5 100 5 - 6.1-23.7 HB3 LYS 31 - HE3 LYS 24 far 5 100 5 - 6.7-20.0 HB3 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.6 HB3 LYS 31 - HE2 LYS 19 far 5 98 5 - 5.8-26.9 HB3 LYS 24 - HE2 LYS 36 far 5 97 5 - 3.5-25.9 HB3 ARG 23 - HE2 LYS 31 far 5 97 5 - 6.3-18.9 HB2 LYS 36 - HE2 LYS 24 far 5 93 5 - 6.1-29.9 HB3 LYS 26 - HE2 LYS 24 far 5 92 5 - 5.2-13.2 HB3 LYS 26 - HE3 LYS 36 lone 4 98 25 17 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LEU 98 - HE3 LYS 24 far 3 64 5 - 6.5-36.2 HB2 CYS 79 - HE3 LYS 86 far 3 63 5 - 6.5-10.0 HB3 LYS 24 - HE2 LYS 26 lone 3 100 30 10 5.5-13.1 985/9587=1 HB3 LEU 98 - HE2 LYS 24 far 3 57 5 - 6.6-34.7 HB3 ARG 23 - HE3 LYS 24 far 0 96 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 88 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 92 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 99 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 100 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 99 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 87 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 99 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 84 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 96 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 86 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 98 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 84 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 869 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 3.93 A): 17 out of 67 assignments used, quality = 1.00: * HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-4.1 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 24 + HE3 LYS 24 OK 98 99 100 99 2.2-4.2 4.0=96, 484/6.4=23...(17) HG3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-4.0 3.8=100 HG2 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.0-4.0 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 92 93 100 99 2.0-3.9 4.0=96, 484/6.4=23...(18) HG2 LYS 86 + HE3 LYS 86 OK 78 78 100 100 2.0-2.9 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 69 70 100 99 2.2-3.5 4.0=95, 3.0/1064=22...(19) HG3 LYS 36 + HE2 LYS 36 OK 64 65 100 99 2.0-4.1 4.0=95, 3.0/1064=22...(19) HG13 ILE 32 + HE3 LYS 36 OK 36 100 40 91 3.2-9.5 3.2/10757=17...(61) HG13 ILE 32 + HE2 LYS 36 OK 35 97 40 91 2.8-9.0 3.2/10721=15...(60) HG13 ILE 32 + HE2 LYS 31 OK 31 100 45 70 2.3-9.1 2.1/10804=10...(24) HG13 ILE 32 + HE3 LYS 26 OK 29 100 40 72 2.0-17.3 3.2/10721=9, 2.1/10804=8...(25) HG13 ILE 32 + HE3 LYS 31 OK 28 100 40 71 2.0-9.6 10757/6.5=9, 2.1/10804=8...(24) HG13 ILE 32 + HE2 LYS 26 OK 25 100 35 72 2.1-17.7 3.2/10721=9, 2.1/9008=8...(25) HG3 LYS 19 - HE2 LYS 24 poor 19 94 20 - 3.4-18.5 HG3 LYS 36 - HE3 LYS 26 poor 17 70 25 - 4.4-26.9 HG3 LYS 19 - HE3 LYS 24 far 15 100 15 - 4.8-19.1 HG3 LYS 24 - HE2 LYS 19 far 15 98 15 - 3.7-17.8 HG3 LYS 24 - HE3 LYS 19 poor 11 100 25 43 4.5-18.1 823/5.1=2, 526/5.1=2...(4) HG2 LYS 31 - HE2 LYS 26 far 10 100 10 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 far 10 100 10 - 5.3-19.4 HG2 LYS 26 - HE3 LYS 36 far 10 97 10 - 3.8-24.9 HG2 LYS 26 - HE2 LYS 36 far 9 94 10 - 4.1-24.5 QB ALA 34 - HE2 LYS 36 far 7 70 10 - 5.1-8.4 HG3 LYS 36 - HE2 LYS 26 far 7 70 10 - 4.5-27.4 HG2 LYS 31 - HE3 LYS 24 far 5 100 5 - 4.0-19.0 HG2 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.4-14.2 HG3 LYS 24 - HE3 LYS 36 far 5 99 5 - 4.8-25.5 HG2 LYS 26 - HE2 LYS 31 far 5 98 5 - 5.4-15.0 HG2 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.9-14.4 HG3 LYS 24 - HE2 LYS 36 far 5 96 5 - 3.2-24.6 HG2 LYS 31 - HE2 LYS 24 far 5 94 5 - 3.3-18.4 QB ALA 34 - HE3 LYS 36 far 4 75 5 - 5.3-9.2 HG3 LYS 36 - HE2 LYS 31 far 4 71 5 - 4.4-14.3 HG3 LYS 36 - HE3 LYS 31 far 3 70 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 3 62 5 - 4.6-28.4 QB ALA 34 - HE2 LYS 26 far 0 75 0 - 5.7-20.7 HG2 LYS 26 - HE2 LYS 24 far 0 90 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 97 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 97 0 - 6.0-14.4 QB ALA 34 - HE3 LYS 24 far 0 75 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 75 0 - 6.1-21.1 HG3 LYS 36 - HE3 LYS 24 far 0 70 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 99 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 66 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 99 0 - 6.7-12.9 QB ALA 34 - HE2 LYS 31 far 0 76 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 75 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 94 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 99 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 100 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 93 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 100 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 67 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 95 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 870 from cnoeabs.peaks (1.39, 2.96, 41.80 ppm; 4.06 A): 10 out of 125 assignments used, quality = 1.00: * HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 97 97 100 100 2.1-4.1 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.0-4.2 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.6-4.2 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 88 88 100 100 2.0-3.9 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 68 68 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 64 64 100 100 2.3-3.2 3.8=100 QB ALA 28 - HE3 LYS 31 poor 20 98 20 - 4.1-9.8 HG3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.5-14.3 HG3 LYS 31 - HE3 LYS 26 far 15 100 15 - 4.8-18.3 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 2.1-13.2 QB ALA 28 - HE3 LYS 24 far 15 98 15 - 5.3-13.7 QB ALA 29 - HE2 LYS 31 far 15 97 15 - 4.3-10.0 HG3 LYS 31 - HE2 LYS 36 far 15 97 15 - 4.3-14.3 QB ALA 29 - HE3 LYS 26 far 14 97 15 - 4.0-12.1 QB ALA 29 - HE2 LYS 26 far 14 97 15 - 4.1-12.1 QB ALA 15 - HE2 LYS 19 far 14 96 15 - 2.0-11.7 QB ALA 29 - HE2 LYS 36 far 14 93 15 - 5.2-11.0 HG2 LYS 19 - HE3 LYS 24 poor 13 67 20 - 3.9-19.3 HG2 LYS 19 - HE2 LYS 24 poor 12 59 20 - 2.9-18.6 HG3 LYS 31 - HE2 LYS 26 far 10 100 10 - 4.3-18.5 QB ALA 15 - HE2 LYS 31 far 10 99 10 - 3.9-23.1 HG3 LYS 26 - HE2 LYS 31 far 10 98 10 - 5.0-15.0 QB ALA 15 - HE3 LYS 31 far 10 98 10 - 4.6-22.3 HG3 LYS 26 - HE3 LYS 36 far 10 97 10 - 4.4-24.9 HG2 LYS 24 - HE3 LYS 19 far 10 97 10 - 3.6-18.0 QB ALA 29 - HE3 LYS 31 far 10 97 10 - 4.8-10.3 HG2 LYS 36 - HE2 LYS 26 far 10 97 10 - 5.0-27.0 HG2 LYS 36 - HE3 LYS 26 far 10 97 10 - 5.1-26.6 HG3 LYS 26 - HE2 LYS 36 far 9 94 10 - 4.6-24.5 QB ALA 16 - HE3 LYS 19 far 9 93 10 - 3.5-9.7 HG2 LYS 24 - HE2 LYS 19 far 9 93 10 - 4.3-16.8 QB ALA 28 - HE2 LYS 24 far 9 92 10 - 4.5-13.8 QB ALA 16 - HE2 LYS 19 far 9 89 10 - 4.4-10.6 QB ALA 34 - HE2 LYS 36 far 9 58 15 - 5.1-8.4 QB ALA 109 - HE3 LYS 19 far 5 100 5 - 4.7-41.8 HG3 LYS 31 - HE3 LYS 24 far 5 100 5 - 5.2-18.7 HG2 LYS 95 - HE3 LYS 24 far 5 100 5 - 4.3-36.3 QB ALA 109 - HE3 LYS 26 far 5 100 5 - 5.3-26.1 HG3 LYS 95 - HE3 LYS 24 far 5 99 5 - 4.2-36.6 QB ALA 15 - HE3 LYS 24 far 5 98 5 - 2.0-19.1 QB ALA 28 - HE3 LYS 26 far 5 98 5 - 5.4-9.7 QB ALA 110 - HE3 LYS 26 far 5 98 5 - 4.0-28.9 QB ALA 110 - HE2 LYS 26 far 5 98 5 - 4.9-30.1 QB ALA 109 - HE2 LYS 19 far 5 98 5 - 5.1-43.2 HG2 LYS 36 - HE2 LYS 31 far 5 97 5 - 5.3-13.7 HG3 LYS 26 - HE3 LYS 24 far 5 97 5 - 5.5-12.7 HG2 LYS 36 - HE3 LYS 31 far 5 97 5 - 5.1-14.9 QB ALA 29 - HE3 LYS 36 far 5 97 5 - 5.3-11.4 HG2 LYS 24 - HE3 LYS 26 far 5 96 5 - 5.4-12.1 QB ALA 28 - HE2 LYS 31 lone 5 99 25 19 4.7-10.1 ~10771=12, 6334/7.1=4 HB2 LEU 42 - HE3 LYS 36 far 5 95 5 - 5.0-13.1 HG3 LYS 31 - HE2 LYS 24 far 5 94 5 - 4.1-18.0 HG3 LYS 95 - HE2 LYS 24 far 5 93 5 - 5.2-35.1 QB ALA 16 - HE3 LYS 24 far 5 92 5 - 4.4-18.8 QB ALA 16 - HE3 LYS 31 far 5 92 5 - 5.0-24.1 QB ALA 16 - HE3 LYS 36 far 5 92 5 - 5.5-25.6 HG2 LYS 24 - HE2 LYS 36 far 5 92 5 - 4.2-26.3 QB ALA 15 - HE2 LYS 24 far 5 91 5 - 2.0-19.1 HG3 LYS 26 - HE2 LYS 24 far 4 90 5 - 5.0-12.3 QB ALA 16 - HE2 LYS 24 far 4 84 5 - 3.4-18.8 QB ALA 34 - HE3 LYS 36 far 3 62 5 - 5.3-9.2 QB ALA 29 - HE2 LYS 24 far 0 89 0 - 5.6-13.5 QB ALA 34 - HE2 LYS 26 far 0 62 0 - 5.7-20.7 HG2 LYS 24 - HE3 LYS 36 far 0 96 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 94 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 99 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 93 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 99 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 96 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 92 0 - 6.0-32.3 HB2 LEU 42 - HE2 LYS 36 far 0 90 0 - 6.0-12.2 QB ALA 34 - HE3 LYS 24 far 0 62 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 62 0 - 6.1-21.1 QB ALA 108 - HE3 LYS 24 far 0 99 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 97 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 89 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 99 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 67 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 95 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 100 0 - 6.6-27.0 QB ALA 34 - HE2 LYS 24 far 0 54 0 - 6.7-22.8 HG3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 96 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 88 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 96 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 99 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 98 0 - 7.0-15.7 QB ALA 34 - HE2 LYS 31 far 0 63 0 - 7.0-12.5 QB ALA 108 - HE3 LYS 19 far 0 99 0 - 7.0-40.8 QB ALA 34 - HE3 LYS 31 far 0 62 0 - 7.1-12.4 QB ALA 108 - HE2 LYS 19 far 0 97 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 68 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 99 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 98 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 94 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 97 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 94 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 97 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 99 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 67 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 97 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 67 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 95 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 100 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 98 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 98 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 94 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 100 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 96 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 96 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 97 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 98 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 94 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 100 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 95 0 - 9.5-27.9 QB ALA 16 - HE3 LYS 26 far 0 92 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 92 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 91 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 871 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 3.48 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.6-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 19 97 20 - 2.5-24.7 HD3 LYS 19 - HE2 LYS 24 poor 17 87 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 100 15 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 far 14 97 15 - 2.9-24.6 HD3 LYS 19 - HE3 LYS 24 far 14 95 15 - 2.2-19.0 HD2 LYS 19 - HE2 LYS 24 far 13 87 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD2 LYS 36 - HE2 LYS 31 far 10 98 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 98 10 - 4.3-13.8 HD3 LYS 24 - HE2 LYS 19 far 10 98 10 - 4.2-18.5 HD2 LYS 36 - HE2 LYS 26 far 10 97 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 10 97 10 - 3.6-25.8 HD2 LYS 26 - HE2 LYS 36 far 10 97 10 - 1.9-25.5 HD2 LYS 19 - HE3 LYS 24 far 9 95 10 - 2.9-18.4 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.6-14.9 HD2 LYS 36 - HE3 LYS 31 far 5 97 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 97 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 5 94 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 97 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 98 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 100 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 97 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 94 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 94 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 90 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 98 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 98 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 94 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 90 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 97 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 86 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 90 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 70 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 95 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 97 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 92 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 95 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 70 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 81 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 88 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 98 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 97 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 88 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 97 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 95 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 90 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 95 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 99 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 95 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 90 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 87 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 79 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 83 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 97 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 95 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 86 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 872 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 3.49 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 99 99 100 100 2.6-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD2 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 19 97 20 - 2.5-24.7 HD3 LYS 19 - HE2 LYS 24 poor 18 88 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 100 15 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 far 15 97 15 - 2.9-24.6 HD3 LYS 19 - HE3 LYS 24 far 14 96 15 - 2.2-19.0 HD2 LYS 19 - HE2 LYS 24 far 13 88 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD3 LYS 24 - HE2 LYS 19 far 10 98 10 - 4.2-18.5 HD2 LYS 36 - HE2 LYS 31 far 10 97 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 97 10 - 4.3-13.8 HD2 LYS 26 - HE2 LYS 36 far 10 97 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 26 far 10 97 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 10 97 10 - 3.6-25.8 HD2 LYS 19 - HE3 LYS 24 far 10 96 10 - 2.9-18.4 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.6-14.9 HD3 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.6-13.1 HD2 LYS 36 - HE3 LYS 31 far 5 97 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 97 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 24 far 5 94 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 97 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 98 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 100 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 97 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 94 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 94 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 89 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 94 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 91 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 98 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 88 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 89 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 73 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 97 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 92 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 83 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 86 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 97 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 97 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 86 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 98 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 92 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 98 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 96 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 92 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 89 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 97 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 77 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 81 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 98 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 88 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 873 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 98 98 - 100 HE2 LYS 19 + HE2 LYS 19 OK 97 97 - 100 HE2 LYS 36 + HE2 LYS 36 OK 95 95 - 100 HE2 LYS 24 + HE2 LYS 24 OK 90 90 - 100 Peak 874 from cnoeabs.peaks (2.97, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE3 LYS 24 + HE3 LYS 24 OK 99 99 - 100 HE3 LYS 86 + HE3 LYS 86 OK 97 97 - 100 HE2 LYS 19 + HE2 LYS 19 OK 95 95 - 100 HE2 LYS 36 + HE2 LYS 36 OK 93 93 - 100 HE2 LYS 24 + HE2 LYS 24 OK 87 87 - 100 Reference assignment not found: HE3 LYS 31 - HE2 LYS 31 Peak 876 from cnoeabs.peaks (8.23, 2.97, 41.80 ppm; 6.80 A): 15 out of 52 assignments used, quality = 1.00: * H LYS 31 + HE3 LYS 31 OK 100 100 100 100 3.8-6.4 6332/4.8=90, 6331/4.8=90...(53) H LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.1-6.5 6332/4.8=90, 6331/4.8=90...(54) H SER 33 + HE3 LYS 36 OK 97 98 100 99 2.1-6.5 10896/7.3=57, ~10775=43...(14) H SER 33 + HE2 LYS 36 OK 91 92 100 99 2.2-6.4 10896/7.3=57, ~10775=43...(14) H ARG 23 + HE3 LYS 24 OK 60 92 75 87 4.6-9.6 6211/7.4=62, 821/4.0=21...(36) H ARG 23 + HE2 LYS 24 OK 58 79 85 86 5.0-10.0 6211/7.4=62, 821/4.0=21...(31) H LYS 31 + HE2 LYS 26 OK 53 100 60 88 4.5-16.1 6338=14, 6338/1.8=12...(56) H LYS 31 + HE3 LYS 26 OK 52 100 60 87 4.7-16.1 6338=14, 6338/1.8=12...(56) H SER 33 + HE2 LYS 26 OK 32 100 60 54 2.8-21.4 6362/10840=15...(11) H SER 33 + HE3 LYS 26 OK 32 100 60 53 2.1-20.9 6362/10840=15...(10) H GLU 30 + HE2 LYS 31 OK 29 59 95 52 4.1-8.6 4.6/6338=17, 416/6.5=10...(9) H GLU 30 + HE3 LYS 31 OK 28 60 90 52 4.7-8.7 4.6/6338=17, 416/6.5=10...(9) H ARG 23 + HE2 LYS 26 OK 26 96 50 55 2.4-14.2 5.0/11618=10, 6203/316=2...(44) H LYS 31 + HE3 LYS 36 OK 23 98 65 36 6.1-13.3 10802/10813=11, 6337=6...(7) H SER 33 + HE2 LYS 31 OK 22 100 70 32 5.2-10.1 4.4/10825=10...(6) H ARG 23 - HE3 LYS 26 poor 20 96 40 52 4.1-14.0 5.0/11618=7, 2.9/1051=2...(43) H GLU 30 - HE2 LYS 36 poor 20 50 40 - 6.4-14.4 H SER 33 - HE3 LYS 31 poor 20 100 70 28 5.0-10.4 6362/10840=10...(6) H ALA 29 - HE2 LYS 26 poor 18 92 65 30 3.4-12.3 821/3.6=5, 799/4.8=5...(8) H LYS 31 - HE2 LYS 24 poor 17 87 20 - 4.8-17.2 H ALA 29 - HE3 LYS 26 poor 16 92 60 29 3.0-12.5 821/3.6=5, 799/4.8=5...(8) H ARG 23 - HE3 LYS 19 far 14 95 15 - 7.9-14.9 H LYS 31 - HE2 LYS 36 poor 13 92 40 36 5.8-13.2 10802/10813=11...(5) H ALA 29 - HE3 LYS 31 poor 13 92 45 31 5.5-10.4 934/9008=4, 832/3.7=3...(7) H ALA 29 - HE2 LYS 31 poor 12 91 40 32 6.2-10.2 934/10804=4, 832/3.7=3...(8) H ARG 23 - HE3 LYS 31 far 10 96 10 - 7.3-20.3 H ARG 23 - HE2 LYS 31 far 9 95 10 - 7.2-19.3 H ARG 23 - HE3 LYS 36 far 9 92 10 - 7.1-26.8 H ALA 29 - HE3 LYS 24 far 9 88 10 - 8.1-14.1 H ARG 23 - HE2 LYS 19 far 9 87 10 - 7.9-13.6 H ARG 23 - HE2 LYS 36 far 8 84 10 - 6.2-26.2 H ALA 29 - HE2 LYS 24 far 7 75 10 - 6.9-13.4 H GLU 30 - HE2 LYS 26 lone 6 60 55 17 4.5-13.7 4.6/6338=9, 4.6/6338=2...(4) H ALA 29 - HE3 LYS 36 lone 5 88 35 17 5.3-15.8 934/10804=6, 910/10757=6 H SER 107 - HE3 LYS 26 far 5 100 5 - 6.0-26.9 H LYS 31 - HE3 LYS 19 far 5 100 5 - 5.7-25.3 H SER 107 - HE2 LYS 26 far 5 100 5 - 7.5-28.5 H GLU 30 - HE3 LYS 26 lone 5 60 50 16 4.4-14.0 4.6/6338=9, 4.6/6338=1...(4) H LYS 31 - HE3 LYS 24 far 5 98 5 - 6.3-17.7 H SER 33 - HE3 LYS 24 far 5 98 5 - 6.9-22.8 H LYS 31 - HE2 LYS 19 far 5 94 5 - 6.0-25.6 H GLU 30 - HE2 LYS 24 far 5 46 10 - 5.8-15.3 H SER 33 - HE2 LYS 24 far 4 87 5 - 6.4-22.6 H ALA 29 - HE2 LYS 36 lone 4 80 30 17 5.5-15.1 934/9008=7, 910/10840=5 H GLU 30 - HE3 LYS 19 far 3 59 5 - 6.7-24.3 H GLU 30 - HE3 LYS 24 far 3 56 5 - 7.3-16.1 H GLU 30 - HE3 LYS 36 lone 3 56 45 10 5.7-14.8 4.6/6337=4, 7747/9008=2 H GLU 30 - HE2 LYS 19 far 3 52 5 - 7.5-24.8 H SER 107 - HE3 LYS 31 far 0 100 0 - 8.3-30.2 H ALA 29 - HE3 LYS 19 far 0 91 0 - 8.9-23.1 H SER 107 - HE2 LYS 31 far 0 100 0 - 9.8-30.6 H ALA 29 - HE2 LYS 19 far 0 82 0 - 9.8-23.8 Violated in 0 structures by 0.00 A. Peak 877 from cnoeabs.peaks (4.28, 2.97, 41.80 ppm; 5.54 A): 26 out of 147 assignments used, quality = 1.00: * HA LYS 31 + HE3 LYS 31 OK 98 100 100 98 2.5-5.6 6.5=63, 822/3.7=30...(28) HA LYS 31 + HE2 LYS 31 OK 98 100 100 98 1.9-5.7 6.5=63, 822/3.7=30...(29) HA LYS 36 + HE3 LYS 36 OK 97 98 100 100 2.9-6.5 6.0=80, 3.0/1064=37...(24) HA LYS 26 + HE2 LYS 26 OK 95 99 100 97 2.7-6.4 6.6=59, 627/3.6=30...(23) HA LYS 26 + HE3 LYS 26 OK 95 99 100 97 3.4-6.0 6.6=59, 627/3.6=30...(23) HA LYS 19 + HE3 LYS 19 OK 95 97 100 98 2.0-5.4 6.4=66, 627/3.8=27...(34) HA LYS 36 + HE2 LYS 36 OK 91 92 100 100 3.9-6.2 6.0=80, 3.0/1064=37...(25) HA LYS 19 + HE2 LYS 19 OK 88 89 100 98 3.2-5.7 6.4=66, 627/3.8=27...(34) HA PHE 87 + HE3 LYS 86 OK 78 89 90 97 3.9-7.4 4.9/2704=69...(13) HA THR 18 + HE3 LYS 19 OK 61 91 80 84 4.3-9.2 10686/3.8=53, 226/7.3=37...(8) HA THR 25 + HE2 LYS 26 OK 52 93 60 92 2.9-9.2 582/7.1=42, 11150/3.6=28...(13) HA THR 25 + HE2 LYS 24 OK 50 76 70 94 2.0-8.6 11128/5.1=33, 9587=25...(16) HA THR 25 + HE3 LYS 26 OK 43 93 50 92 2.2-9.3 582/7.1=42, 11150/3.6=28...(13) HA LYS 19 + HE3 LYS 24 OK 43 94 50 91 2.9-16.7 822/4.0=6, 793/4.0=5...(125) HA THR 25 + HE3 LYS 24 OK 42 89 50 93 2.3-9.0 11128/5.1=33...(15) HA THR 18 + HE2 LYS 19 OK 41 82 60 84 2.7-8.8 10686/3.8=53, 226/7.3=37...(8) HA ARG 23 + HE2 LYS 26 OK 34 98 55 64 2.7-12.5 3.8/11618=9, 627/3.6=3...(32) HA LYS 31 + HE3 LYS 26 OK 34 100 35 97 5.3-18.9 3.0/6338=7, ~6338=6...(173) HA LYS 26 + HE3 LYS 31 OK 32 99 35 92 4.4-13.1 790/4.8=7, 822/3.7=7...(131) HA ARG 23 + HE3 LYS 26 OK 31 98 50 64 2.0-13.5 3.8/11618=6, 627/3.6=3...(36) HA LYS 26 + HE2 LYS 31 OK 31 98 35 91 5.0-12.6 790/4.8=7, 822/3.7=7...(129) HA LYS 19 + HE2 LYS 24 OK 30 82 40 93 1.9-16.1 822/4.0=6, 793/4.0=5...(158) HA LYS 31 + HE2 LYS 26 OK 29 100 30 97 5.0-18.9 3.0/6338=7, ~6338=6...(173) HA LYS 36 + HE3 LYS 26 OK 26 100 35 75 3.5-29.4 3.0/1003=10, ~1004=8...(36) HA ARG 23 + HE2 LYS 24 OK 21 83 40 64 6.3-9.4 424/7.4=38, 833/4.0=8...(15) HA ARG 23 + HE3 LYS 24 OK 21 95 35 62 5.5-9.3 424/7.4=38, 833/4.0=8...(13) HA ALA 12 - HE3 LYS 19 poor 20 98 20 - 4.5-19.2 HA LYS 36 - HE2 LYS 26 poor 19 100 25 76 3.2-29.7 3.0/1004=10, ~1004=8...(41) HA THR 25 - HE2 LYS 31 poor 18 92 20 - 3.1-14.8 HA THR 18 - HE3 LYS 24 poor 18 88 20 - 4.1-17.6 HA THR 18 - HE2 LYS 24 poor 15 75 20 - 4.8-17.4 HA ALA 16 - HE3 LYS 19 far 15 100 15 - 4.9-11.6 HA LEU 22 - HE2 LYS 26 far 15 98 15 - 4.0-14.7 HA LYS 26 - HE3 LYS 36 far 14 96 15 - 6.7-22.7 HA ARG 23 - HE3 LYS 36 far 14 95 15 - 6.1-25.9 HA ALA 16 - HE2 LYS 19 far 14 94 15 - 5.1-12.4 HA THR 25 - HE3 LYS 31 far 14 93 15 - 2.8-14.8 HA LYS 31 - HE3 LYS 36 poor 12 98 40 31 4.8-12.9 10753/10804=4...(5) HA LEU 22 - HE3 LYS 24 poor 12 95 40 31 1.9-11.8 11967/4.0=13, 6212/7.4=8...(8) HA ALA 16 - HE3 LYS 31 far 10 100 10 - 5.0-28.0 HA LEU 22 - HE2 LYS 24 poor 10 83 40 30 3.0-11.0 11967/4.0=13, 6212/7.4=8...(7) HA LEU 22 - HE3 LYS 26 far 10 98 10 - 5.2-15.2 HA LYS 26 - HE3 LYS 24 far 10 96 10 - 6.6-11.5 HA ALA 21 - HE2 LYS 26 far 9 95 10 - 6.8-17.6 HA THR 18 - HE3 LYS 31 far 9 92 10 - 5.3-25.8 HA THR 18 - HE2 LYS 31 far 9 91 10 - 5.9-25.3 HA THR 25 - HE3 LYS 36 far 9 89 10 - 5.5-23.8 HA LYS 26 - HE2 LYS 36 far 9 89 10 - 5.2-22.3 HA ARG 23 - HE2 LYS 36 far 9 88 10 - 5.7-25.3 HA LYS 26 - HE2 LYS 24 far 8 83 10 - 5.6-11.4 HA LYS 31 - HE2 LYS 36 poor 8 92 25 36 5.5-13.1 10753/9008=4, ~6337=2...(8) HA GLN 61 - HE2 LYS 26 far 5 100 5 - 2.5-26.5 HA ALA 109 - HE3 LYS 26 far 5 100 5 - 4.2-32.2 HA GLN 61 - HE3 LYS 26 far 5 100 5 - 3.6-26.6 HA ALA 108 - HE3 LYS 26 far 5 100 5 - 4.9-30.3 HA ALA 109 - HE2 LYS 26 far 5 100 5 - 5.8-33.8 HA ALA 108 - HE2 LYS 26 far 5 100 5 - 6.6-31.8 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 5.6-27.5 HA ALA 108 - HE3 LYS 31 far 5 100 5 - 6.8-33.7 HA GLN 61 - HE3 LYS 31 far 5 100 5 - 6.4-25.1 HA ALA 16 - HE2 LYS 31 far 5 100 5 - 6.3-27.2 HA ALA 109 - HE3 LYS 19 far 5 100 5 - 6.5-51.9 HA GLN 61 - HE2 LYS 31 far 5 99 5 - 6.6-24.3 HA ALA 110 - HE3 LYS 26 far 5 99 5 - 5.9-33.9 HA ALA 15 - HE3 LYS 31 far 5 99 5 - 5.9-26.5 HA ALA 16 - HE3 LYS 24 far 5 98 5 - 5.5-21.7 HA ALA 15 - HE2 LYS 31 far 5 98 5 - 5.4-27.5 HA ALA 16 - HE3 LYS 36 far 5 98 5 - 6.3-32.1 HA GLN 61 - HE3 LYS 24 far 5 98 5 - 6.3-26.7 HA ARG 23 - HE2 LYS 31 far 5 97 5 - 6.0-17.4 HA LYS 19 - HE3 LYS 31 far 5 97 5 - 6.8-26.4 HA ALA 15 - HE3 LYS 24 far 5 96 5 - 2.7-24.2 HA LYS 31 - HE2 LYS 19 far 5 94 5 - 5.1-27.7 HA ALA 21 - HE3 LYS 36 far 5 91 5 - 6.5-28.1 HA THR 18 - HE3 LYS 36 far 4 88 5 - 5.0-33.6 HA ALA 16 - HE2 LYS 24 far 4 87 5 - 5.1-21.6 HA LYS 31 - HE2 LYS 24 far 4 87 5 - 6.0-19.7 HA LYS 36 - HE2 LYS 24 far 4 87 5 - 6.4-29.6 HA GLN 61 - HE2 LYS 24 far 4 86 5 - 5.8-25.5 HA ALA 15 - HE2 LYS 24 far 4 83 5 - 3.2-24.3 HA THR 25 - HE2 LYS 36 far 4 82 5 - 4.9-23.1 HA THR 18 - HE2 LYS 36 far 4 80 5 - 6.5-32.9 HA ALA 21 - HE3 LYS 24 lone 1 91 40 3 2.0-13.7 HA ALA 21 - HE2 LYS 24 lone 1 78 30 3 2.6-12.5 HA ALA 15 - HE2 LYS 19 lone 1 91 35 2 2.2-14.3 HA ALA 12 - HE2 LYS 19 lone 1 91 25 2 3.7-20.1 HA ALA 15 - HE3 LYS 19 lone 0 98 25 2 2.0-14.9 HA ARG 84 - HE3 LYS 86 far 0 53 0 - 7.1-8.5 HA ALA 108 - HE3 LYS 19 far 0 100 0 - 7.1-50.0 HA ARG 23 - HE3 LYS 31 far 0 98 0 - 7.1-18.5 HA LYS 36 - HE3 LYS 31 far 0 100 0 - 7.1-15.1 HA ALA 21 - HE2 LYS 36 far 0 83 0 - 7.2-27.3 HA ALA 21 - HE3 LYS 31 far 0 95 0 - 7.2-21.7 HA LYS 31 - HE3 LYS 24 far 0 98 0 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 0 100 0 - 7.3-13.7 HA LYS 36 - HE3 LYS 24 far 0 98 0 - 7.3-29.3 HA LYS 19 - HE2 LYS 31 far 0 97 0 - 7.4-25.6 HA THR 25 - HE2 LYS 19 far 0 84 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 99 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 94 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 94 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 92 0 - 7.5-20.7 HA ALA 108 - HE2 LYS 31 far 0 100 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 92 0 - 7.5-31.5 HA LYS 19 - HE2 LYS 26 far 0 97 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 95 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 94 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 99 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 94 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 96 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 90 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 97 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 98 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 98 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 91 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 94 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 97 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 83 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 88 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 90 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 98 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 92 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 86 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 96 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 91 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 85 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 87 0 - 8.9-40.0 HA LYS 19 - HE3 LYS 26 far 0 97 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 98 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 98 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 100 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 92 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 98 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 100 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 94 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 93 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 82 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 92 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 99 0 - 9.6-27.2 HA LYS 19 - HE2 LYS 36 far 0 87 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 87 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 92 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 89 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 98 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 84 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 95 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 93 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 878 from cnoeabs.peaks (1.74, 2.97, 41.80 ppm; 6.55 A): 20 out of 64 assignments used, quality = 1.00: * HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 99 99 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.6-5.5 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.8-5.0 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 3.1-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 94 94 100 100 2.3-7.3 ~11243=91, 9713/3.7=86...(24) HB2 LYS 19 + HE2 LYS 19 OK 92 92 100 100 3.2-5.1 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 86 86 100 100 2.0-4.5 5.1=100 HG3 ARG 90 + HE3 LYS 86 OK 80 90 90 98 4.2-9.7 11932/9655=77...(9) HB2 LYS 26 + HE2 LYS 31 OK 60 98 65 94 4.4-12.8 834/3.7=9, 823/3.7=8...(128) HB2 LYS 31 + HE2 LYS 26 OK 59 100 60 99 3.2-17.5 6331/6338=9, 639/3.6=9...(164) HB2 LYS 31 + HE3 LYS 26 OK 59 100 60 98 3.4-17.3 6331/6338=9, 639/3.6=9...(159) HB2 LYS 26 + HE3 LYS 31 OK 51 99 55 94 4.2-12.2 834/3.7=9, 823/3.7=8...(128) HB2 LYS 19 + HE3 LYS 24 OK 42 96 45 97 5.3-18.0 823/4.0=6, 1.8/2634=5...(164) HB2 ARG 23 + HE2 LYS 26 OK 39 96 55 73 3.9-14.3 3.0/11618=12, ~11618=8...(65) HB2 ARG 23 + HE3 LYS 26 OK 38 96 55 73 3.3-14.8 ~11618=11, 3.0/11618=8...(64) HB2 LYS 19 + HE2 LYS 24 OK 29 84 35 97 4.1-17.5 823/4.0=6, 1.8/2634=5...(163) HB2 LYS 24 + HE2 LYS 19 OK 24 93 35 74 3.8-18.2 790/6.4=2, 613=2...(71) HB2 LYS 24 + HE3 LYS 19 OK 23 99 35 66 4.9-17.5 2.9/1025=2, 790/6.4=2...(52) HB2 ARG 23 - HE2 LYS 24 poor 20 79 25 - 6.2-11.2 HB2 ARG 23 - HE3 LYS 24 poor 18 92 20 - 5.8-11.2 HB2 LYS 31 - HE3 LYS 36 poor 16 98 50 31 4.9-12.6 6331/6337=4, 808=2, 1.8/2634=1 HB2 ARG 23 - HE3 LYS 31 far 14 96 15 - 5.7-20.0 HB2 ARG 23 - HE3 LYS 36 far 14 92 15 - 4.0-24.1 HB2 ARG 23 - HE2 LYS 36 far 13 84 15 - 3.8-23.4 HB2 LYS 24 - HE3 LYS 31 far 10 100 10 - 6.7-18.7 HB2 LYS 31 - HE3 LYS 19 far 10 100 10 - 7.1-27.9 HB2 LYS 24 - HE2 LYS 31 far 10 99 10 - 6.9-18.8 HB2 LYS 19 - HE3 LYS 31 far 10 99 10 - 5.9-25.9 HB2 LYS 19 - HE2 LYS 26 far 10 99 10 - 6.8-24.3 HB2 LYS 31 - HE2 LYS 36 poor 10 92 30 35 3.5-12.9 6331/6337=2, 808/1.8=1...(5) HB2 LYS 19 - HE2 LYS 31 far 10 98 10 - 5.2-25.0 HB2 LYS 31 - HE3 LYS 24 far 10 98 10 - 5.8-20.7 HB2 LYS 26 - HE3 LYS 24 far 10 96 10 - 4.4-13.6 HB2 ARG 23 - HE2 LYS 31 far 9 95 10 - 7.1-18.8 HB2 LYS 24 - HE2 LYS 26 poor 9 100 45 21 5.6-12.3 11151/9587=6, 834/3.6=2 HB2 LYS 24 - HE2 LYS 36 far 9 91 10 - 1.9-26.5 HB2 LYS 31 - HE2 LYS 24 far 9 87 10 - 4.9-20.2 HB2 LYS 26 - HE2 LYS 24 far 8 84 10 - 4.0-13.1 HB2 LYS 26 - HE3 LYS 36 poor 8 96 40 21 4.9-22.7 10748/10721=3 HB2 LYS 24 - HE3 LYS 26 poor 8 100 35 23 5.3-12.3 11151/9587=8, 834/3.6=2 HB2 LYS 26 - HE2 LYS 36 poor 7 89 35 21 3.3-22.3 10748/10721=2 HB2 LYS 19 - HE3 LYS 26 far 5 99 5 - 8.0-24.1 HB2 LYS 24 - HE3 LYS 36 far 5 98 5 - 3.6-27.4 HB2 ARG 23 - HE3 LYS 19 far 5 95 5 - 7.5-16.1 HB2 LYS 31 - HE2 LYS 19 far 5 94 5 - 7.3-27.5 HB2 LEU 43 - HE2 LYS 31 far 4 89 5 - 7.6-24.1 HB2 LEU 43 - HE3 LYS 36 far 4 86 5 - 6.8-18.1 HB3 LEU 70 - HE3 LYS 36 far 3 56 5 - 7.6-17.6 HB3 LEU 70 - HE2 LYS 36 far 2 50 5 - 7.2-17.1 HB2 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.2-24.9 HB2 LEU 43 - HE2 LYS 36 far 0 78 0 - 8.5-17.0 HB2 LYS 19 - HE3 LYS 36 far 0 96 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 92 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.9-15.9 HB3 LEU 70 - HE2 LYS 31 far 0 59 0 - 8.9-21.5 HB2 ARG 23 - HE2 LYS 19 far 0 87 0 - 8.9-16.3 HB3 LEU 70 - HE3 LYS 31 far 0 60 0 - 9.1-20.8 HB2 LEU 43 - HE3 LYS 31 far 0 90 0 - 9.3-24.7 HG13 ILE 129 - HE3 LYS 86 far 0 96 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 75 0 - 9.7-15.5 HB2 LEU 43 - HE3 LYS 24 far 0 86 0 - 9.7-31.8 HB2 LYS 39 - HE3 LYS 24 far 0 83 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 879 from cnoeabs.peaks (1.81, 2.97, 41.80 ppm; 5.25 A): 27 out of 75 assignments used, quality = 1.00: * HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HB3 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.0-5.4 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 99 99 100 100 3.3-5.0 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.8-5.3 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.0-4.5 4.9=100 HB3 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.1-4.9 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 91 91 100 100 3.3-4.7 4.9=100 HB3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.0-5.1 5.1=100 HB2 LYS 86 + HE3 LYS 86 OK 81 81 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE3 LYS 36 OK 72 97 75 99 2.0-7.9 2.1/10721=28...(56) HB ILE 32 + HE2 LYS 36 OK 72 90 80 99 3.4-7.6 10833/3.0=25, ~10837=24...(57) HB ILE 32 + HE3 LYS 26 OK 55 99 60 92 4.6-19.4 2.1/10840=15, ~10840=12...(59) HB ILE 32 + HE2 LYS 26 OK 51 99 55 92 4.8-19.8 2.1/10840=15, ~10721=12...(60) HB ILE 32 + HE2 LYS 31 OK 49 99 55 91 4.3-9.5 3.2/10804=12, 10825=11...(60) HB3 LYS 31 + HE2 LYS 26 OK 47 100 50 95 2.2-19.2 629/3.6=8, 273/3.6=6...(131) HB3 LYS 31 + HE3 LYS 26 OK 42 100 45 94 3.3-19.0 629/3.6=8, 273/3.6=6...(117) HB ILE 32 + HE3 LYS 31 OK 41 99 45 91 4.6-10.3 10825/1.8=10...(60) HB3 LYS 19 + HE3 LYS 24 OK 39 98 45 88 3.9-16.9 2634=5, 2634/1.8=4...(115) HB2 LYS 36 + HE3 LYS 26 OK 34 100 45 75 2.6-28.9 1.8/1003=11, ~1004=9...(27) HB3 ARG 23 + HE2 LYS 26 OK 29 97 50 59 3.0-13.9 3.0/11618=9, ~11618=5...(37) HB3 ARG 23 + HE3 LYS 26 OK 28 97 50 58 2.6-15.2 ~11618=8, 3.0/11618=6...(40) HB2 LYS 36 + HE2 LYS 26 OK 28 100 35 80 2.4-29.4 1.8/1004=10, ~1004=9...(35) HB3 LYS 19 + HE2 LYS 24 OK 27 87 35 89 2.6-16.3 2634=5, 3.0/11770=4...(114) HB3 LYS 26 + HE3 LYS 31 OK 25 99 30 86 4.4-13.0 824/3.7=6, 835/3.7=5...(89) HB3 LYS 26 + HE2 LYS 31 OK 25 98 30 85 3.9-12.8 824/3.7=6, 835/3.7=5...(92) HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 LYS 24 - HE2 LYS 19 poor 19 94 20 - 3.5-17.2 HB2 LYS 36 - HE3 LYS 31 far 15 100 15 - 5.6-14.2 HB3 LYS 24 - HE3 LYS 19 poor 15 100 25 60 4.6-17.1 2.9/1025=2, 815/3.8=1...(29) HB2 LYS 36 - HE2 LYS 31 far 15 99 15 - 6.2-12.8 HB3 LYS 31 - HE3 LYS 36 far 15 98 15 - 4.9-14.1 HB3 LYS 31 - HE2 LYS 36 far 14 92 15 - 5.3-14.3 HB3 LYS 26 - HE2 LYS 36 far 13 89 15 - 4.2-22.7 HB3 ARG 23 - HE3 LYS 31 far 10 97 10 - 5.4-20.0 HB3 ARG 23 - HE3 LYS 36 far 9 93 10 - 4.4-24.0 HB3 ARG 23 - HE2 LYS 36 far 9 86 10 - 3.5-23.5 HB3 LYS 19 - HE2 LYS 26 far 5 100 5 - 6.1-23.7 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.5-26.1 HB3 LYS 24 - HE3 LYS 36 far 5 98 5 - 5.2-26.7 HB3 LYS 31 - HE3 LYS 24 far 5 98 5 - 6.7-20.0 HB3 LYS 26 - HE3 LYS 24 far 5 96 5 - 6.0-13.6 HB3 ARG 23 - HE2 LYS 31 far 5 96 5 - 6.3-18.9 HB3 LYS 31 - HE2 LYS 19 far 5 94 5 - 5.8-26.9 HB3 LYS 24 - HE2 LYS 36 far 5 92 5 - 3.5-25.9 HB3 LYS 31 - HE2 LYS 24 far 4 87 5 - 6.0-19.3 HB2 LYS 36 - HE2 LYS 24 far 4 86 5 - 6.1-29.9 HB3 LYS 26 - HE2 LYS 24 far 4 84 5 - 5.2-13.2 HB3 LYS 26 - HE3 LYS 36 lone 4 96 25 17 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LEU 98 - HE3 LYS 24 far 3 61 5 - 6.5-36.2 HB2 CYS 79 - HE3 LYS 86 far 3 58 5 - 6.5-10.0 HB3 LEU 98 - HE2 LYS 24 far 3 50 5 - 6.6-34.7 HB3 LYS 24 - HE2 LYS 26 lone 2 100 25 10 5.5-13.1 985/9587=1 HB3 ARG 23 - HE3 LYS 24 far 0 93 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 80 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 85 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 97 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 100 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 95 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 83 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 96 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 97 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 85 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 92 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 83 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 88 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 94 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 85 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 880 from cnoeabs.peaks (1.44, 2.97, 41.80 ppm; 3.92 A): 17 out of 67 assignments used, quality = 1.00: * HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-4.1 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HG2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-4.0 3.6=100 HG3 LYS 24 + HE3 LYS 24 OK 96 98 100 98 2.2-4.2 4.0=95, 484/6.4=23...(17) HG3 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.3-4.0 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 84 86 100 98 2.0-3.9 4.0=95, 484/6.4=23...(17) HG2 LYS 86 + HE3 LYS 86 OK 73 73 100 100 2.0-2.9 3.7=100 HG3 LYS 36 + HE3 LYS 36 OK 65 67 100 98 2.2-3.5 4.0=94, 3.0/1064=21...(19) HG3 LYS 36 + HE2 LYS 36 OK 59 60 100 98 2.0-4.1 4.0=94, 3.0/1064=21...(19) HG13 ILE 32 + HE3 LYS 36 OK 36 98 40 91 3.2-9.5 3.2/10757=17...(61) HG13 ILE 32 + HE2 LYS 36 OK 33 91 40 91 2.8-9.0 2.1/10804=14...(60) HG13 ILE 32 + HE2 LYS 31 OK 31 100 45 69 2.3-9.1 2.1/10804=10...(24) HG13 ILE 32 + HE3 LYS 26 OK 29 100 40 72 2.0-17.3 3.2/10721=9, 2.1/10804=8...(25) HG13 ILE 32 + HE3 LYS 31 OK 28 100 40 71 2.0-9.6 10757/6.5=9, 2.1/10804=8...(24) HG13 ILE 32 + HE2 LYS 26 OK 25 100 35 72 2.1-17.7 3.2/10721=9, 2.1/9008=8...(25) HG3 LYS 36 - HE3 LYS 26 poor 18 71 25 - 4.4-26.9 HG3 LYS 19 - HE2 LYS 24 poor 17 87 20 - 3.4-18.5 HG3 LYS 19 - HE3 LYS 24 far 15 98 15 - 4.8-19.1 HG3 LYS 24 - HE2 LYS 19 far 14 93 15 - 3.7-17.8 HG3 LYS 24 - HE3 LYS 19 poor 11 99 25 42 4.5-18.1 823/5.1=2, 526/5.1=2...(4) HG2 LYS 31 - HE2 LYS 26 far 10 100 10 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 far 10 100 10 - 5.3-19.4 HG2 LYS 26 - HE3 LYS 36 far 9 95 10 - 3.8-24.9 HG2 LYS 26 - HE2 LYS 36 far 9 88 10 - 4.1-24.5 HG3 LYS 36 - HE2 LYS 26 far 7 71 10 - 4.5-27.4 QB ALA 34 - HE2 LYS 36 far 6 64 10 - 5.1-8.4 HG2 LYS 31 - HE3 LYS 24 far 5 98 5 - 4.0-19.0 HG3 LYS 24 - HE3 LYS 36 far 5 98 5 - 4.8-25.5 HG2 LYS 26 - HE2 LYS 31 far 5 97 5 - 5.4-15.0 HG2 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.9-14.4 HG3 LYS 24 - HE2 LYS 36 far 5 91 5 - 3.2-24.6 HG2 LYS 31 - HE2 LYS 24 far 4 87 5 - 3.3-18.4 QB ALA 34 - HE3 LYS 36 far 4 72 5 - 5.3-9.2 HG3 LYS 36 - HE3 LYS 31 far 4 71 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 31 far 3 70 5 - 4.4-14.3 HG3 LYS 36 - HE2 LYS 24 far 3 55 5 - 4.6-28.4 HG2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.4-14.2 QB ALA 34 - HE2 LYS 26 far 0 76 0 - 5.7-20.7 HG2 LYS 26 - HE2 LYS 24 far 0 83 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 95 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.0-14.4 QB ALA 34 - HE3 LYS 24 far 0 72 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 76 0 - 6.1-21.1 HG3 LYS 36 - HE3 LYS 24 far 0 67 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 100 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 59 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.7-12.9 QB ALA 34 - HE2 LYS 31 far 0 75 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 76 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 86 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 100 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 100 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 94 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 89 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 98 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 100 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 62 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 92 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 881 from cnoeabs.peaks (1.39, 2.97, 41.80 ppm; 4.04 A): 10 out of 125 assignments used, quality = 1.00: * HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-4.2 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.1-4.1 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.0-4.2 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 93 93 100 100 2.1-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.6-4.2 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 80 80 100 100 2.0-3.9 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 67 67 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 59 59 100 100 2.3-3.2 3.8=100 QB ALA 28 - HE3 LYS 31 poor 20 99 20 - 4.1-9.8 HG3 LYS 31 - HE3 LYS 26 far 15 100 15 - 4.8-18.3 QB ALA 15 - HE3 LYS 19 far 15 98 15 - 2.1-13.2 HG3 LYS 31 - HE3 LYS 36 far 15 98 15 - 4.5-14.3 QB ALA 29 - HE3 LYS 26 far 15 97 15 - 4.0-12.1 QB ALA 29 - HE2 LYS 26 far 15 97 15 - 4.1-12.1 QB ALA 29 - HE2 LYS 31 far 14 97 15 - 4.3-10.0 HG3 LYS 31 - HE2 LYS 36 far 14 92 15 - 4.3-14.3 QB ALA 15 - HE2 LYS 19 far 14 91 15 - 2.0-11.7 QB ALA 29 - HE2 LYS 36 far 13 87 15 - 5.2-11.0 HG2 LYS 19 - HE3 LYS 24 poor 13 64 20 - 3.9-19.3 HG2 LYS 19 - HE2 LYS 24 poor 11 53 20 - 2.9-18.6 HG3 LYS 31 - HE2 LYS 26 far 10 100 10 - 4.3-18.5 QB ALA 15 - HE3 LYS 31 far 10 99 10 - 4.6-22.3 QB ALA 15 - HE2 LYS 31 far 10 98 10 - 3.9-23.1 QB ALA 29 - HE3 LYS 31 far 10 97 10 - 4.8-10.3 HG2 LYS 36 - HE2 LYS 26 far 10 97 10 - 5.0-27.0 HG2 LYS 36 - HE3 LYS 26 far 10 97 10 - 5.1-26.6 HG3 LYS 26 - HE2 LYS 31 far 10 97 10 - 5.0-15.0 QB ALA 28 - HE3 LYS 24 far 10 96 10 - 5.3-13.7 HG2 LYS 24 - HE3 LYS 19 far 10 96 10 - 3.6-18.0 HG3 LYS 26 - HE3 LYS 36 far 9 95 10 - 4.4-24.9 QB ALA 16 - HE3 LYS 19 far 9 92 10 - 3.5-9.7 HG2 LYS 24 - HE2 LYS 19 far 9 88 10 - 4.3-16.8 HG3 LYS 26 - HE2 LYS 36 far 9 88 10 - 4.6-24.5 QB ALA 28 - HE2 LYS 24 far 8 84 10 - 4.5-13.8 QB ALA 16 - HE2 LYS 19 far 8 84 10 - 4.4-10.6 QB ALA 34 - HE2 LYS 36 far 8 52 15 - 5.1-8.4 QB ALA 109 - HE3 LYS 26 far 5 100 5 - 5.3-26.1 QB ALA 109 - HE3 LYS 19 far 5 100 5 - 4.7-41.8 QB ALA 28 - HE3 LYS 26 far 5 99 5 - 5.4-9.7 QB ALA 110 - HE3 LYS 26 far 5 99 5 - 4.0-28.9 QB ALA 110 - HE2 LYS 26 far 5 99 5 - 4.9-30.1 HG3 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.2-18.7 HG2 LYS 95 - HE3 LYS 24 far 5 98 5 - 4.3-36.3 HG2 LYS 36 - HE3 LYS 31 far 5 97 5 - 5.1-14.9 HG3 LYS 95 - HE3 LYS 24 far 5 97 5 - 4.2-36.6 HG2 LYS 36 - HE2 LYS 31 far 5 97 5 - 5.3-13.7 HG2 LYS 24 - HE3 LYS 26 far 5 97 5 - 5.4-12.1 QB ALA 15 - HE3 LYS 24 far 5 96 5 - 2.0-19.1 HG3 LYS 26 - HE3 LYS 24 far 5 95 5 - 5.5-12.7 QB ALA 29 - HE3 LYS 36 far 5 94 5 - 5.3-11.4 QB ALA 109 - HE2 LYS 19 far 5 94 5 - 5.1-43.2 QB ALA 28 - HE2 LYS 31 lone 5 98 25 19 4.7-10.1 ~10771=12, 6334/7.1=4 QB ALA 16 - HE3 LYS 31 far 5 93 5 - 5.0-24.1 HB2 LEU 42 - HE3 LYS 36 far 5 92 5 - 5.0-13.1 QB ALA 16 - HE3 LYS 24 far 4 89 5 - 4.4-18.8 HG3 LYS 31 - HE2 LYS 24 far 4 87 5 - 4.1-18.0 HG2 LYS 24 - HE2 LYS 36 far 4 86 5 - 4.2-26.3 HG3 LYS 95 - HE2 LYS 24 far 4 86 5 - 5.2-35.1 QB ALA 15 - HE2 LYS 24 far 4 83 5 - 2.0-19.1 HG3 LYS 26 - HE2 LYS 24 far 4 83 5 - 5.0-12.3 QB ALA 16 - HE2 LYS 24 far 4 76 5 - 3.4-18.8 QB ALA 34 - HE3 LYS 36 far 3 59 5 - 5.3-9.2 QB ALA 16 - HE3 LYS 36 far 0 89 0 - 5.5-25.6 QB ALA 29 - HE2 LYS 24 far 0 82 0 - 5.6-13.5 QB ALA 34 - HE2 LYS 26 far 0 63 0 - 5.7-20.7 HG2 LYS 24 - HE3 LYS 36 far 0 93 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 86 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 98 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 92 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 99 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 97 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 99 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 85 0 - 6.0-32.3 HB2 LEU 42 - HE2 LYS 36 far 0 84 0 - 6.0-12.2 QB ALA 34 - HE3 LYS 24 far 0 59 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 63 0 - 6.1-21.1 QB ALA 108 - HE3 LYS 24 far 0 97 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 94 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 82 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 99 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 68 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 89 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 100 0 - 6.6-27.0 QB ALA 34 - HE2 LYS 24 far 0 48 0 - 6.7-22.8 HG3 LYS 31 - HE2 LYS 19 far 0 94 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 97 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 82 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 92 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 99 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 96 0 - 7.0-15.7 QB ALA 34 - HE2 LYS 31 far 0 62 0 - 7.0-12.5 QB ALA 108 - HE3 LYS 19 far 0 99 0 - 7.0-40.8 QB ALA 34 - HE3 LYS 31 far 0 63 0 - 7.1-12.4 QB ALA 108 - HE2 LYS 19 far 0 92 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 67 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 99 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 96 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 87 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 96 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 89 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 94 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 98 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 64 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 97 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 68 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 96 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 98 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 99 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 99 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 89 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 100 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 91 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 95 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 97 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 99 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 89 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 100 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 96 0 - 9.5-27.9 QB ALA 16 - HE3 LYS 26 far 0 93 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 93 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 83 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 882 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 3.47 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 95 95 100 100 2.6-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD2 LYS 36 + HE2 LYS 36 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HD2 LYS 36 - HE3 LYS 26 poor 20 98 20 - 2.5-24.7 HD3 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.8-24.9 HD3 LYS 19 - HE2 LYS 24 poor 16 79 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 98 15 - 3.3-25.8 HD3 LYS 19 - HE3 LYS 24 far 14 92 15 - 2.2-19.0 HD3 LYS 26 - HE2 LYS 36 far 14 91 15 - 2.9-24.6 HD2 LYS 19 - HE2 LYS 24 far 12 79 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD2 LYS 36 - HE2 LYS 26 far 10 98 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 10 98 10 - 3.6-25.8 HD2 LYS 36 - HE2 LYS 31 far 10 97 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 97 10 - 4.3-13.8 HD3 LYS 24 - HE2 LYS 19 far 9 94 10 - 4.2-18.5 HD2 LYS 26 - HE2 LYS 36 far 9 92 10 - 1.9-25.5 HD2 LYS 19 - HE3 LYS 24 far 9 92 10 - 2.9-18.4 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.6-14.9 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD2 LYS 36 - HE3 LYS 31 far 5 98 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 98 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 98 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 4 87 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 94 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 98 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 89 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 83 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 96 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 87 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 83 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 95 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 83 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 83 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 86 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 66 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 95 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 84 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 92 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 92 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 66 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 75 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 84 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 99 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 95 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 84 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 98 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 84 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 98 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 94 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 84 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 86 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 99 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 71 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 77 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 98 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 87 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 883 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 3.47 A): 22 out of 119 assignments used, quality = 1.00: HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.6-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HE3 LYS 36 poor 20 98 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 19 97 20 - 2.5-24.7 HD3 LYS 19 - HE2 LYS 24 poor 16 80 20 - 2.7-18.2 HD2 LYS 26 - HE3 LYS 36 far 15 98 15 - 3.3-25.8 HD3 LYS 19 - HE3 LYS 24 far 14 93 15 - 2.2-19.0 HD3 LYS 26 - HE2 LYS 36 far 14 92 15 - 2.9-24.6 HD2 LYS 19 - HE2 LYS 24 far 12 80 15 - 2.6-17.0 HD2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.9-18.3 HD2 LYS 36 - HE2 LYS 26 far 10 97 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 10 97 10 - 3.6-25.8 HD2 LYS 36 - HE2 LYS 31 far 10 97 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 97 10 - 4.3-13.8 HD3 LYS 24 - HE2 LYS 19 far 9 94 10 - 4.2-18.5 HD2 LYS 19 - HE3 LYS 24 far 9 93 10 - 2.9-18.4 HD2 LYS 26 - HE2 LYS 36 far 9 92 10 - 1.9-25.5 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD3 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.6-14.9 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 24 - HE3 LYS 19 far 5 100 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD2 LYS 36 - HE3 LYS 31 far 5 97 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 5 97 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 92 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 4 87 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 0 98 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 100 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 94 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 98 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 92 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 88 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 87 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 82 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 97 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 87 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 83 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 96 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 82 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 96 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 87 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 68 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 94 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 85 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 77 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 83 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 98 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 94 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 99 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 86 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 97 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 95 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 86 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 88 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 70 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 75 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 99 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 89 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 884 from cnoeabs.peaks (2.96, 2.97, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 98 98 - 100 HE3 LYS 24 + HE3 LYS 24 OK 98 98 - 100 HE3 LYS 86 + HE3 LYS 86 OK 95 95 - 100 HE2 LYS 19 + HE2 LYS 19 OK 92 92 - 100 HE2 LYS 36 + HE2 LYS 36 OK 89 89 - 100 HE2 LYS 24 + HE2 LYS 24 OK 83 83 - 100 Reference assignment not found: HE2 LYS 31 - HE3 LYS 31 Peak 885 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 * HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE3 LYS 86 + HE3 LYS 86 OK 93 93 - 100 HE2 LYS 19 + HE2 LYS 19 OK 90 90 - 100 HE2 LYS 36 + HE2 LYS 36 OK 87 87 - 100 HE2 LYS 24 + HE2 LYS 24 OK 79 79 - 100 Peak 887 from cnoeabs.peaks (8.14, 4.11, 61.16 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 32 + HA ILE 32 OK 100 100 100 100 2.6-2.9 3.0=100 H ALA 15 - HA ILE 32 far 0 100 0 - 6.5-27.3 H ASP 71 - HA ILE 32 far 0 100 0 - 6.6-14.4 H LEU 22 - HA ILE 32 far 0 99 0 - 8.9-22.5 Violated in 0 structures by 0.00 A. Peak 888 from cnoeabs.peaks (4.11, 4.11, 61.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 32 + HA ILE 32 OK 100 100 - 100 Peak 889 from cnoeabs.peaks (1.82, 4.11, 61.16 ppm; 3.13 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 32 + HA ILE 32 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 36 + HA ILE 32 OK 22 100 25 87 3.1-10.4 6361/6360=22...(23) HB3 LYS 26 - HA ILE 32 poor 18 100 40 45 2.9-15.2 3.0/892=9, ~6343=5...(15) HB3 LYS 31 - HA ILE 32 far 10 99 10 - 4.0-5.8 HB3 LYS 24 - HA ILE 32 far 5 100 5 - 4.5-20.2 HB3 ARG 23 - HA ILE 32 far 0 100 0 - 5.9-20.8 HB3 LYS 19 - HA ILE 32 far 0 99 0 - 8.7-27.8 Violated in 0 structures by 0.00 A. Peak 890 from cnoeabs.peaks (0.85, 4.11, 61.16 ppm; 3.04 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 32 + HA ILE 32 OK 100 100 100 100 2.0-2.5 904=100, 6362/6360=53...(36) QD2 LEU 69 - HA ILE 32 far 0 92 0 - 7.5-12.7 QD2 LEU 70 - HA ILE 32 far 0 100 0 - 7.7-14.3 QD2 LEU 22 - HA ILE 32 far 0 95 0 - 8.8-21.1 Violated in 0 structures by 0.00 A. Peak 891 from cnoeabs.peaks (1.16, 4.11, 61.16 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HA ILE 32 OK 100 100 100 100 2.3-3.8 912=100, 1.8/920=65...(28) QB ALA 41 - HA ILE 32 far 10 99 10 - 3.3-11.7 QG2 THR 25 - HA ILE 32 far 7 71 10 - 3.3-14.8 QG2 THR 18 - HA ILE 32 far 0 98 0 - 6.8-24.4 Violated in 5 structures by 0.06 A. Peak 892 from cnoeabs.peaks (1.44, 4.11, 61.16 ppm; 3.51 A): 3 out of 7 assignments used, quality = 1.00: * HG13 ILE 32 + HA ILE 32 OK 100 100 100 100 2.4-3.7 920=98, 1.8/891=79...(26) HG3 LYS 36 + HA ILE 32 OK 28 63 50 90 2.3-8.3 908/904=17, ~10810=17...(30) HG2 LYS 26 + HA ILE 32 OK 26 99 50 52 2.0-17.4 3.0/889=8, 2.9/10763=6...(21) HG2 LYS 31 - HA ILE 32 far 10 100 10 - 4.3-7.2 QB ALA 34 - HA ILE 32 far 0 83 0 - 6.5-7.6 HG3 LYS 24 - HA ILE 32 far 0 99 0 - 6.6-19.5 HG3 LYS 19 - HA ILE 32 far 0 100 0 - 9.3-29.1 Violated in 1 structures by 0.01 A. Peak 893 from cnoeabs.peaks (0.78, 4.11, 61.16 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 32 + HA ILE 32 OK 100 100 100 100 3.1-4.0 928=87, 2.1/891=78...(28) QD1 ILE 37 - HA ILE 32 far 5 100 5 - 4.9-9.2 QG1 VAL 63 - HA ILE 32 far 0 99 0 - 7.4-14.6 QD2 LEU 49 - HA ILE 32 far 0 83 0 - 7.9-13.7 QG1 VAL 93 - HA ILE 32 far 0 65 0 - 8.8-16.8 QD1 LEU 96 - HA ILE 32 far 0 100 0 - 10.0-15.0 Violated in 17 structures by 0.13 A. Peak 894 from cnoeabs.peaks (8.23, 4.11, 61.16 ppm; 2.70 A): 1 out of 4 assignments used, quality = 1.00: * H SER 33 + HA ILE 32 OK 100 100 100 100 2.2-2.9 6360=100, 6362/904=36...(20) H LYS 31 - HA ILE 32 far 0 100 0 - 4.2-5.2 H ALA 29 - HA ILE 32 far 0 90 0 - 4.8-8.9 H ARG 23 - HA ILE 32 far 0 95 0 - 6.3-21.4 Violated in 3 structures by 0.01 A. Peak 895 from cnoeabs.peaks (8.14, 1.82, 38.56 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 32 + HB ILE 32 OK 100 100 100 100 2.4-3.3 6352=69, 6353/2.1=57...(29) H ASP 71 - HB ILE 32 far 5 100 5 - 4.3-11.6 H ALA 15 - HB ILE 32 far 0 100 0 - 7.8-27.8 Violated in 4 structures by 0.02 A. Peak 896 from cnoeabs.peaks (4.11, 1.82, 38.56 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 32 + HB ILE 32 OK 100 100 100 100 2.9-3.0 3.0=100 HA CYS 45 - HB ILE 32 far 0 95 0 - 5.4-14.4 HA GLN 104 - HB ILE 32 far 0 83 0 - 9.1-21.6 HA GLN 101 - HB ILE 32 far 0 99 0 - 9.4-19.9 HA LEU 49 - HB ILE 32 far 0 100 0 - 9.6-18.1 Violated in 0 structures by 0.00 A. Peak 897 from cnoeabs.peaks (1.82, 1.82, 38.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 32 + HB ILE 32 OK 100 100 - 100 Peak 898 from cnoeabs.peaks (0.85, 1.82, 38.56 ppm; 2.88 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 32 + HB ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 - HB ILE 32 far 0 100 0 - 5.4-11.9 QD2 LEU 69 - HB ILE 32 far 0 92 0 - 5.7-10.8 Violated in 0 structures by 0.00 A. Peak 899 from cnoeabs.peaks (1.16, 1.82, 38.56 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 32 + HB ILE 32 OK 100 100 100 100 2.3-3.0 2.9=100 QB ALA 41 - HB ILE 32 far 15 99 15 - 4.4-10.8 QG2 THR 25 - HB ILE 32 far 4 71 5 - 3.9-14.7 QG2 THR 18 - HB ILE 32 far 0 98 0 - 7.6-24.6 QG2 VAL 77 - HB ILE 32 far 0 85 0 - 9.5-18.5 Violated in 0 structures by 0.00 A. Peak 900 from cnoeabs.peaks (1.44, 1.82, 38.56 ppm; 3.32 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 32 + HB ILE 32 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 36 + HB ILE 32 OK 26 63 45 94 1.9-8.0 ~10810=20, ~10899=20...(37) HG2 LYS 26 - HB ILE 32 far 10 99 10 - 3.7-17.7 QB ALA 34 - HB ILE 32 far 4 83 5 - 4.3-8.3 HG2 LYS 31 - HB ILE 32 far 0 100 0 - 6.4-8.5 HG3 LYS 24 - HB ILE 32 far 0 99 0 - 6.8-18.6 HG3 LYS 19 - HB ILE 32 far 0 100 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 901 from cnoeabs.peaks (0.78, 1.82, 38.56 ppm; 3.46 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 32 + HB ILE 32 OK 100 100 100 100 2.0-2.9 3.2=100 QD1 ILE 37 - HB ILE 32 far 10 100 10 - 3.0-9.1 QG1 VAL 63 - HB ILE 32 far 0 99 0 - 6.3-13.0 QG1 VAL 93 - HB ILE 32 far 0 65 0 - 6.9-14.5 QD2 LEU 49 - HB ILE 32 far 0 83 0 - 6.9-11.8 QD1 LEU 96 - HB ILE 32 far 0 100 0 - 8.0-12.6 QD2 LEU 96 - HB ILE 32 far 0 63 0 - 8.5-14.7 QD2 LEU 122 - HB ILE 32 far 0 97 0 - 9.7-13.2 QD1 LEU 53 - HB ILE 32 far 0 89 0 - 9.8-17.9 Violated in 0 structures by 0.00 A. Peak 902 from cnoeabs.peaks (8.23, 1.82, 38.56 ppm; 3.50 A): 2 out of 5 assignments used, quality = 1.00: * H SER 33 + HB ILE 32 OK 100 100 100 100 1.9-4.4 6362/2.1=74, 6360/3.0=71...(23) H LYS 31 + HB ILE 32 OK 31 100 35 88 4.5-5.9 4.7/895=35, 10802/3.2=23...(22) H ALA 29 - HB ILE 32 poor 18 90 20 - 4.3-8.2 H ARG 23 - HB ILE 32 far 0 95 0 - 8.9-20.4 H SER 107 - HB ILE 32 far 0 100 0 - 9.8-23.6 Violated in 6 structures by 0.08 A. Peak 903 from cnoeabs.peaks (8.14, 0.85, 17.13 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 32 + QG2 ILE 32 OK 100 100 100 100 3.4-3.8 6353=100, 895/2.1=76...(21) H ASP 71 - QG2 ILE 32 lone 3 100 25 14 3.1-10.8 927/930=6, 6932/6930=3...(4) H LEU 22 - QG2 ILE 32 far 0 99 0 - 7.1-19.1 H ALA 15 - QG2 ILE 32 far 0 100 0 - 7.5-23.7 Violated in 19 structures by 0.23 A. Peak 904 from cnoeabs.peaks (4.11, 0.85, 17.13 ppm; 2.96 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.0-2.5 890=96, 6360/6362=50...(36) HA CYS 45 - QG2 ILE 32 far 5 95 5 - 3.5-11.8 HA LEU 49 - QG2 ILE 32 far 0 100 0 - 7.5-14.8 HA GLN 104 - QG2 ILE 32 far 0 83 0 - 7.8-19.4 HA LEU 48 - QG2 ILE 32 far 0 100 0 - 7.9-15.6 HA GLN 101 - QG2 ILE 32 far 0 99 0 - 8.1-17.9 Violated in 0 structures by 0.00 A. Peak 905 from cnoeabs.peaks (1.82, 0.85, 17.13 ppm; 2.54 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 36 + QG2 ILE 32 OK 43 100 55 79 1.7-7.8 1.8/10810=18...(22) HB3 LYS 26 - QG2 ILE 32 far 10 100 10 - 3.5-13.3 HB3 LYS 24 - QG2 ILE 32 far 5 100 5 - 2.4-16.8 HB3 ARG 23 - QG2 ILE 32 far 0 100 0 - 4.3-17.2 HB3 LYS 31 - QG2 ILE 32 far 0 99 0 - 5.4-7.0 HB3 LYS 19 - QG2 ILE 32 far 0 99 0 - 8.5-23.0 HB2 LEU 100 - QG2 ILE 32 far 0 100 0 - 8.7-15.5 HB3 LEU 122 - QG2 ILE 32 far 0 73 0 - 9.2-16.3 HB VAL 93 - QG2 ILE 32 far 0 97 0 - 9.8-16.9 HB2 CYS 79 - QG2 ILE 32 far 0 81 0 - 9.9-17.7 Violated in 0 structures by 0.00 A. Peak 906 from cnoeabs.peaks (0.85, 0.85, 17.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 32 + QG2 ILE 32 OK 100 100 - 100 Peak 907 from cnoeabs.peaks (1.16, 0.85, 17.13 ppm; 2.82 A): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.9-3.2 3.2=69, 2.1/930=63...(30) QG2 THR 25 - QG2 ILE 32 poor 14 71 20 - 1.9-12.9 QB ALA 41 - QG2 ILE 32 lone 5 99 40 13 1.7-8.1 10856/10810=6...(4) QG2 THR 18 - QG2 ILE 32 far 0 98 0 - 7.3-20.4 HG3 LYS 39 - QG2 ILE 32 far 0 99 0 - 8.6-14.6 HG2 LYS 39 - QG2 ILE 32 far 0 63 0 - 9.4-15.2 QG2 VAL 77 - QG2 ILE 32 far 0 85 0 - 9.5-15.8 HB3 LEU 62 - QG2 ILE 32 far 0 87 0 - 9.8-16.1 Violated in 8 structures by 0.09 A. Peak 908 from cnoeabs.peaks (1.44, 0.85, 17.13 ppm; 2.96 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.9-3.2 3.2=80, 2.1/930=68...(29) HG3 LYS 36 + QG2 ILE 32 OK 41 63 75 87 1.7-6.1 3.0/10810=26...(26) HG2 LYS 26 - QG2 ILE 32 poor 10 99 30 35 2.7-14.9 892/904=8, 3.6/10766=4...(11) HG3 LYS 24 - QG2 ILE 32 far 5 99 5 - 4.0-16.0 QB ALA 34 - QG2 ILE 32 far 0 83 0 - 4.6-6.5 HG2 LYS 31 - QG2 ILE 32 far 0 100 0 - 5.2-8.1 HG3 LYS 19 - QG2 ILE 32 far 0 100 0 - 9.2-24.2 Violated in 6 structures by 0.04 A. Peak 909 from cnoeabs.peaks (0.78, 0.85, 17.13 ppm; 2.92 A): 1 out of 11 assignments used, quality = 1.00: * QD1 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.7-3.1 930=100, 2.1/907=60...(36) QD1 ILE 37 - QG2 ILE 32 far 15 100 15 - 2.0-6.2 QG1 VAL 63 - QG2 ILE 32 far 0 99 0 - 4.9-12.1 QD2 LEU 49 - QG2 ILE 32 far 0 83 0 - 5.2-9.8 QG1 VAL 93 - QG2 ILE 32 far 0 65 0 - 6.7-12.7 QD1 LEU 96 - QG2 ILE 32 far 0 100 0 - 6.8-11.2 QD2 LEU 122 - QG2 ILE 32 far 0 97 0 - 7.4-12.2 QD2 LEU 43 - QG2 ILE 32 far 0 78 0 - 7.7-12.4 QD2 LEU 96 - QG2 ILE 32 far 0 63 0 - 7.8-12.9 QD1 LEU 53 - QG2 ILE 32 far 0 89 0 - 8.4-15.4 QD2 LEU 119 - QG2 ILE 32 far 0 73 0 - 9.9-16.6 Violated in 5 structures by 0.02 A. Peak 910 from cnoeabs.peaks (8.23, 0.85, 17.13 ppm; 3.27 A): 2 out of 5 assignments used, quality = 1.00: * H SER 33 + QG2 ILE 32 OK 100 100 100 100 1.7-3.4 6362=100, 6360/904=65...(25) H ALA 29 + QG2 ILE 32 OK 26 90 30 98 3.8-7.5 2.9/10751=28, ~10734=24...(31) H LYS 31 - QG2 ILE 32 far 0 100 0 - 5.1-5.9 H ARG 23 - QG2 ILE 32 far 0 95 0 - 6.0-18.0 H SER 107 - QG2 ILE 32 far 0 100 0 - 9.5-21.2 Violated in 1 structures by 0.00 A. Peak 911 from cnoeabs.peaks (8.14, 1.16, 27.21 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 32 + HG12 ILE 32 OK 100 100 100 100 1.6-3.5 6354=100, 919/1.8=73...(28) H ASP 71 - HG12 ILE 32 far 0 100 0 - 6.4-12.7 H ALA 15 - HG12 ILE 32 far 0 100 0 - 7.3-26.1 H LEU 22 - HG12 ILE 32 far 0 99 0 - 9.5-20.1 Violated in 1 structures by 0.01 A. Peak 912 from cnoeabs.peaks (4.11, 1.16, 27.21 ppm; 3.34 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.3-3.8 891=100, 920/1.8=65...(28) HA CYS 45 - HG12 ILE 32 far 9 95 10 - 4.7-16.0 HA LEU 49 - HG12 ILE 32 far 0 100 0 - 8.0-18.8 HA GLN 104 - HG12 ILE 32 far 0 83 0 - 8.4-22.7 HA LEU 48 - HG12 ILE 32 far 0 100 0 - 8.5-20.2 Violated in 5 structures by 0.06 A. Peak 913 from cnoeabs.peaks (1.82, 1.16, 27.21 ppm; 3.34 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 36 + HG12 ILE 32 OK 31 100 35 90 3.1-12.4 10898/3.2=22, ~10810=22...(29) HB3 LYS 26 - HG12 ILE 32 far 15 100 15 - 2.0-13.1 HB3 LYS 31 - HG12 ILE 32 far 5 99 5 - 4.0-7.5 HB3 LYS 24 - HG12 ILE 32 far 0 100 0 - 5.5-17.3 HB3 ARG 23 - HG12 ILE 32 far 0 100 0 - 5.9-18.2 HB3 LYS 19 - HG12 ILE 32 far 0 99 0 - 8.1-25.3 HB VAL 93 - HG12 ILE 32 far 0 97 0 - 9.8-20.5 Violated in 0 structures by 0.00 A. Peak 914 from cnoeabs.peaks (0.85, 1.16, 27.21 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 32 + HG12 ILE 32 OK 100 100 100 100 1.9-3.2 3.2=100 QD2 LEU 69 - HG12 ILE 32 far 0 92 0 - 5.7-12.1 QD2 LEU 70 - HG12 ILE 32 far 0 100 0 - 6.4-12.9 QG2 VAL 57 - HG12 ILE 32 far 0 99 0 - 8.6-19.5 Violated in 0 structures by 0.00 A. Peak 915 from cnoeabs.peaks (1.16, 1.16, 27.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 32 + HG12 ILE 32 OK 100 100 - 100 Peak 916 from cnoeabs.peaks (1.44, 1.16, 27.21 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HG13 ILE 32 + HG12 ILE 32 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 26 - HG12 ILE 32 far 15 99 15 - 2.2-15.0 HG3 LYS 36 - HG12 ILE 32 far 3 63 5 - 4.0-10.4 HG2 LYS 31 - HG12 ILE 32 far 0 100 0 - 4.1-9.2 QB ALA 34 - HG12 ILE 32 far 0 83 0 - 6.5-9.2 HG3 LYS 24 - HG12 ILE 32 far 0 99 0 - 6.7-16.6 HG3 LYS 19 - HG12 ILE 32 far 0 100 0 - 8.3-26.7 Violated in 0 structures by 0.00 A. Peak 917 from cnoeabs.peaks (0.78, 1.16, 27.21 ppm; 2.99 A): 1 out of 11 assignments used, quality = 1.00: * QD1 ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 37 - HG12 ILE 32 far 5 100 5 - 3.7-10.2 QG1 VAL 63 - HG12 ILE 32 far 0 99 0 - 5.6-13.5 QD2 LEU 49 - HG12 ILE 32 far 0 83 0 - 6.5-12.5 QG1 VAL 93 - HG12 ILE 32 far 0 65 0 - 6.6-15.6 QD2 LEU 96 - HG12 ILE 32 far 0 63 0 - 8.9-15.5 QD2 LEU 122 - HG12 ILE 32 far 0 97 0 - 9.3-14.1 QD1 LEU 96 - HG12 ILE 32 far 0 100 0 - 9.3-13.7 QD1 LEU 53 - HG12 ILE 32 far 0 89 0 - 9.4-19.7 QD2 LEU 43 - HG12 ILE 32 far 0 78 0 - 9.5-17.7 QD2 LEU 119 - HG12 ILE 32 far 0 73 0 - 9.8-18.6 Violated in 0 structures by 0.00 A. Peak 918 from cnoeabs.peaks (8.23, 1.16, 27.21 ppm; 4.37 A): 3 out of 5 assignments used, quality = 1.00: * H SER 33 + HG12 ILE 32 OK 100 100 100 100 3.7-5.1 6363=93, 6360/891=89...(20) H LYS 31 + HG12 ILE 32 OK 98 100 100 98 3.3-5.5 4.7/6354=57...(24) H ALA 29 + HG12 ILE 32 OK 68 90 75 100 3.0-6.8 2.9/10738=58, ~10737=40...(32) H ARG 23 - HG12 ILE 32 far 0 95 0 - 7.9-18.9 H SER 107 - HG12 ILE 32 far 0 100 0 - 9.4-24.4 Violated in 0 structures by 0.00 A. Peak 919 from cnoeabs.peaks (8.14, 1.44, 27.21 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 32 + HG13 ILE 32 OK 100 100 100 100 1.6-3.5 6355=81, 6354/1.8=76...(26) H ASP 71 - HG13 ILE 32 far 0 100 0 - 5.5-13.8 H ALA 15 - HG13 ILE 32 far 0 100 0 - 6.7-25.4 H LEU 22 - HG13 ILE 32 far 0 99 0 - 8.7-19.5 Violated in 2 structures by 0.02 A. Peak 920 from cnoeabs.peaks (4.11, 1.44, 27.21 ppm; 3.54 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.4-3.7 892=81, 891/1.8=80...(26) HA CYS 45 - HG13 ILE 32 poor 19 95 20 - 4.4-14.9 HA LEU 49 - HG13 ILE 32 far 0 100 0 - 7.6-18.7 HA LEU 48 - HG13 ILE 32 far 0 100 0 - 8.4-19.6 HA GLN 104 - HG13 ILE 32 far 0 83 0 - 8.6-21.7 HA GLN 101 - HG13 ILE 32 far 0 99 0 - 9.4-19.0 Violated in 4 structures by 0.03 A. Peak 921 from cnoeabs.peaks (1.82, 1.44, 27.21 ppm; 3.16 A): 1 out of 8 assignments used, quality = 1.00: * HB ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 36 - HG13 ILE 32 poor 20 100 20 - 4.1-11.8 HB3 LYS 26 - HG13 ILE 32 far 5 100 5 - 2.3-13.7 HB3 LYS 31 - HG13 ILE 32 far 5 99 5 - 3.7-7.2 HB3 ARG 23 - HG13 ILE 32 far 0 100 0 - 4.7-17.6 HB3 LYS 24 - HG13 ILE 32 far 0 100 0 - 5.3-17.6 HB3 LYS 19 - HG13 ILE 32 far 0 99 0 - 8.3-24.4 HB VAL 93 - HG13 ILE 32 far 0 97 0 - 9.7-21.3 Violated in 0 structures by 0.00 A. Peak 922 from cnoeabs.peaks (0.85, 1.44, 27.21 ppm; 3.34 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 32 + HG13 ILE 32 OK 100 100 100 100 1.9-3.2 3.2=100 QD2 LEU 69 - HG13 ILE 32 far 0 92 0 - 5.5-11.6 QD2 LEU 70 - HG13 ILE 32 far 0 100 0 - 5.7-13.2 QG2 VAL 57 - HG13 ILE 32 far 0 99 0 - 9.3-18.2 QD2 LEU 22 - HG13 ILE 32 far 0 95 0 - 9.5-19.0 Violated in 0 structures by 0.00 A. Peak 923 from cnoeabs.peaks (1.16, 1.44, 27.21 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HG13 ILE 32 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 25 - HG13 ILE 32 far 4 71 5 - 2.4-13.5 QB ALA 41 - HG13 ILE 32 far 0 99 0 - 4.6-12.1 QG2 THR 18 - HG13 ILE 32 far 0 98 0 - 7.4-22.4 Violated in 0 structures by 0.00 A. Peak 924 from cnoeabs.peaks (1.44, 1.44, 27.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 32 + HG13 ILE 32 OK 100 100 - 100 Peak 925 from cnoeabs.peaks (0.78, 1.44, 27.21 ppm; 2.91 A): 1 out of 10 assignments used, quality = 1.00: * QD1 ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 37 - HG13 ILE 32 far 0 100 0 - 4.9-9.6 QG1 VAL 63 - HG13 ILE 32 far 0 99 0 - 5.2-12.8 QD2 LEU 49 - HG13 ILE 32 far 0 83 0 - 5.5-12.5 QG1 VAL 93 - HG13 ILE 32 far 0 65 0 - 6.3-16.1 QD2 LEU 96 - HG13 ILE 32 far 0 63 0 - 8.1-14.5 QD1 LEU 96 - HG13 ILE 32 far 0 100 0 - 8.4-14.0 QD1 LEU 53 - HG13 ILE 32 far 0 89 0 - 8.9-19.5 QD2 LEU 122 - HG13 ILE 32 far 0 97 0 - 9.9-13.5 QD2 LEU 43 - HG13 ILE 32 far 0 78 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 926 from cnoeabs.peaks (8.23, 1.44, 27.21 ppm; 4.18 A): 3 out of 5 assignments used, quality = 1.00: * H SER 33 + HG13 ILE 32 OK 100 100 100 100 4.2-5.6 6360/920=80, 6362/3.2=75...(18) H LYS 31 + HG13 ILE 32 OK 98 100 100 98 3.2-5.6 4.7/919=50, 10802/2.1=41...(18) H ALA 29 + HG13 ILE 32 OK 77 90 85 100 2.0-6.9 ~10737=37, ~10738=36...(34) H ARG 23 - HG13 ILE 32 far 0 95 0 - 6.8-18.3 H SER 107 - HG13 ILE 32 far 0 100 0 - 8.8-24.1 Violated in 0 structures by 0.00 A. Peak 927 from cnoeabs.peaks (8.14, 0.78, 12.54 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 32 + QD1 ILE 32 OK 100 100 100 100 1.9-3.8 6356=100, 6354/2.1=90...(29) H ASP 71 - QD1 ILE 32 poor 15 100 25 60 3.9-9.8 6967/10848=39...(7) H LEU 22 - QD1 ILE 32 far 0 99 0 - 7.5-16.9 H ALA 15 - QD1 ILE 32 far 0 100 0 - 7.6-22.2 Violated in 0 structures by 0.00 A. Peak 928 from cnoeabs.peaks (4.11, 0.78, 12.54 ppm; 3.64 A): 1 out of 9 assignments used, quality = 1.00: * HA ILE 32 + QD1 ILE 32 OK 100 100 100 100 3.1-4.0 893=100, 891/2.1=77...(26) HA CYS 45 - QD1 ILE 32 poor 20 95 45 46 2.4-12.0 3.0/10847=19...(11) HA GLN 104 - QD1 ILE 32 far 0 83 0 - 5.4-17.2 HA LEU 49 - QD1 ILE 32 far 0 100 0 - 5.6-14.3 HA LEU 48 - QD1 ILE 32 far 0 100 0 - 6.4-15.4 HA GLN 101 - QD1 ILE 32 far 0 99 0 - 6.7-15.6 HA ALA 52 - QD1 ILE 32 far 0 76 0 - 9.0-18.5 HA ILE 80 - QD1 ILE 32 far 0 90 0 - 9.7-19.5 HA CYS 79 - QD1 ILE 32 far 0 100 0 - 9.9-21.0 Violated in 17 structures by 0.16 A. Peak 929 from cnoeabs.peaks (1.82, 0.78, 12.54 ppm; 3.11 A): 2 out of 12 assignments used, quality = 1.00: * HB ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.0-2.9 3.2=89, 2.1/930=73...(31) HB2 LYS 36 + QD1 ILE 32 OK 29 100 35 84 2.0-10.0 10898/3.0=20, ~10810=19...(24) HB3 LYS 26 - QD1 ILE 32 far 5 100 5 - 2.5-11.3 HB3 LYS 24 - QD1 ILE 32 far 5 100 5 - 3.3-13.9 HB3 ARG 23 - QD1 ILE 32 far 0 100 0 - 4.9-14.9 HB3 LYS 31 - QD1 ILE 32 far 0 99 0 - 5.0-6.9 HB VAL 93 - QD1 ILE 32 far 0 97 0 - 6.5-16.5 HB3 LYS 19 - QD1 ILE 32 far 0 99 0 - 6.5-21.0 HB2 LEU 100 - QD1 ILE 32 far 0 100 0 - 7.9-13.1 HB3 LEU 103 - QD1 ILE 32 far 0 71 0 - 8.4-15.4 HB3 LEU 122 - QD1 ILE 32 far 0 73 0 - 8.6-13.6 HB2 CYS 79 - QD1 ILE 32 far 0 81 0 - 9.0-19.4 Violated in 0 structures by 0.00 A. Peak 930 from cnoeabs.peaks (0.85, 0.78, 12.54 ppm; 2.68 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 32 + QD1 ILE 32 OK 100 100 100 100 1.7-3.1 909=78, 907/2.1=51...(34) QD2 LEU 70 - QD1 ILE 32 far 5 100 5 - 4.0-9.4 QD2 LEU 69 - QD1 ILE 32 far 5 92 5 - 3.3-8.9 QG2 VAL 57 - QD1 ILE 32 far 0 99 0 - 7.4-15.3 QD2 LEU 22 - QD1 ILE 32 far 0 95 0 - 7.8-15.7 QG1 VAL 133 - QD1 ILE 32 far 0 87 0 - 8.1-14.4 QD2 LEU 98 - QD1 ILE 32 far 0 78 0 - 8.2-15.2 QD1 LEU 98 - QD1 ILE 32 far 0 99 0 - 9.5-16.6 Violated in 5 structures by 0.08 A. Peak 931 from cnoeabs.peaks (1.16, 0.78, 12.54 ppm; 2.84 A): 1 out of 9 assignments used, quality = 1.00: * HG12 ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 25 - QD1 ILE 32 far 7 71 10 - 2.3-10.6 QB ALA 41 - QD1 ILE 32 lone 4 99 25 18 2.1-10.4 9070=6, 9063/10748=5...(4) QG2 THR 18 - QD1 ILE 32 far 0 98 0 - 6.9-18.9 QG2 VAL 77 - QD1 ILE 32 far 0 85 0 - 7.0-15.9 HB3 LEU 62 - QD1 ILE 32 far 0 87 0 - 7.0-15.7 HG3 LYS 39 - QD1 ILE 32 far 0 99 0 - 7.6-17.3 HG2 LYS 39 - QD1 ILE 32 far 0 63 0 - 8.9-18.0 QG2 VAL 132 - QD1 ILE 32 far 0 73 0 - 9.9-16.0 Violated in 0 structures by 0.00 A. Peak 932 from cnoeabs.peaks (1.44, 0.78, 12.54 ppm; 2.82 A): 1 out of 9 assignments used, quality = 1.00: * HG13 ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 26 - QD1 ILE 32 poor 20 99 20 - 3.7-12.8 HG3 LYS 36 - QD1 ILE 32 poor 16 63 25 - 3.1-8.7 QB ALA 34 - QD1 ILE 32 far 4 83 5 - 4.1-8.6 HG2 LYS 31 - QD1 ILE 32 far 0 100 0 - 4.4-8.2 HG3 LYS 24 - QD1 ILE 32 far 0 99 0 - 5.1-13.9 HG3 LYS 19 - QD1 ILE 32 far 0 100 0 - 8.1-22.3 QB ALA 92 - QD1 ILE 32 far 0 98 0 - 8.9-14.9 HG2 LYS 86 - QD1 ILE 32 far 0 87 0 - 9.9-21.6 Violated in 0 structures by 0.00 A. Peak 933 from cnoeabs.peaks (0.78, 0.78, 12.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 32 + QD1 ILE 32 OK 100 100 - 100 Peak 934 from cnoeabs.peaks (8.23, 0.78, 12.54 ppm; 4.12 A): 3 out of 6 assignments used, quality = 1.00: * H SER 33 + QD1 ILE 32 OK 100 100 100 100 3.7-5.3 6362/930=82, 6360/893=80...(23) H LYS 31 + QD1 ILE 32 OK 97 100 100 97 2.8-5.5 4.7/6356=45, 10802=28...(28) H ALA 29 + QD1 ILE 32 OK 90 90 100 100 1.8-5.3 2.9/10737=61...(26) H ARG 23 - QD1 ILE 32 far 0 95 0 - 6.1-15.8 H SER 107 - QD1 ILE 32 far 0 100 0 - 6.7-18.7 H LEU 123 - QD1 ILE 32 far 0 65 0 - 10.0-15.0 Violated in 1 structures by 0.01 A. Peak 935 from cnoeabs.peaks (8.23, 4.40, 58.29 ppm; 3.38 A): 2 out of 9 assignments used, quality = 1.00: * H SER 33 + HA SER 33 OK 100 100 100 100 2.7-2.9 3.0=100 H SER 107 + HA SER 107 OK 89 89 100 100 2.3-2.9 3.0=100 H ALA 29 - HA SER 107 far 11 76 15 - 4.0-24.5 H ARG 23 - HA SER 107 far 0 80 0 - 6.3-37.6 H LYS 31 - HA SER 107 far 0 89 0 - 6.5-25.6 H LYS 31 - HA SER 33 far 0 100 0 - 7.0-8.2 H ALA 29 - HA SER 33 far 0 90 0 - 7.5-11.1 H ARG 23 - HA SER 33 far 0 95 0 - 8.6-24.6 H LEU 123 - HA SER 107 far 0 53 0 - 9.3-16.0 Violated in 0 structures by 0.00 A. Peak 936 from cnoeabs.peaks (4.40, 4.40, 58.29 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 33 + HA SER 33 OK 100 100 - 100 HA SER 9 + HA SER 9 OK 100 100 - 100 HA SER 107 + HA SER 107 OK 85 85 - 100 Peak 937 from cnoeabs.peaks (3.91, 4.40, 58.29 ppm; 3.24 A): 2 out of 14 assignments used, quality = 1.00: * HB2 SER 33 + HA SER 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 107 + HA SER 107 OK 83 83 100 100 2.4-3.0 3.0=100 HA3 GLY 75 - HA SER 33 far 10 99 10 - 4.3-18.4 HA3 GLY 75 - HA SER 9 far 5 98 5 - 3.3-45.9 HB2 SER 60 - HA SER 107 far 0 89 0 - 4.8-15.8 HB3 SER 60 - HA SER 107 far 0 89 0 - 5.7-16.0 HA2 GLY 111 - HA SER 107 far 0 68 0 - 6.1-13.1 HD3 PRO 113 - HA SER 107 far 0 55 0 - 6.6-17.1 HA2 GLY 14 - HA SER 33 far 0 99 0 - 7.2-31.9 HA3 GLY 14 - HA SER 33 far 0 99 0 - 7.9-32.7 HA ALA 41 - HA SER 33 far 0 100 0 - 8.0-13.8 HA ALA 41 - HA SER 9 far 0 100 0 - 8.2-45.9 HB3 SER 50 - HA SER 9 far 0 75 0 - 9.9-50.8 HA2 GLY 114 - HA SER 107 far 0 48 0 - 9.9-18.4 Violated in 0 structures by 0.00 A. Peak 938 from cnoeabs.peaks (3.85, 4.40, 58.29 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 33 + HA SER 33 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 70 - HA SER 107 far 0 46 0 - 7.6-15.3 HA LEU 70 - HA SER 33 far 0 57 0 - 7.6-14.3 HA LEU 62 - HA SER 107 far 0 88 0 - 7.7-13.5 HD2 PRO 117 - HA SER 107 far 0 86 0 - 8.3-17.6 Violated in 0 structures by 0.00 A. Peak 939 from cnoeabs.peaks (8.43, 4.40, 58.29 ppm; 2.66 A): 1 out of 12 assignments used, quality = 0.94: * H ALA 34 + HA SER 33 OK 94 100 100 94 2.2-3.5 6372=56, 6369/3.0=36...(13) H MET 11 - HA SER 9 far 0 84 0 - 4.3-6.5 H SER 74 - HA SER 33 far 0 71 0 - 5.2-16.0 H ASN 13 - HA SER 33 far 0 100 0 - 7.6-32.9 H ALA 12 - HA SER 9 far 0 94 0 - 7.8-9.7 H SER 74 - HA SER 9 far 0 70 0 - 8.4-44.9 H ALA 12 - HA SER 107 far 0 80 0 - 8.6-51.3 H ASN 116 - HA SER 107 far 0 77 0 - 8.6-15.5 H ASP 47 - HA SER 9 far 0 67 0 - 9.3-47.9 H SER 74 - HA SER 107 far 0 57 0 - 9.5-18.2 H ASN 13 - HA SER 9 far 0 99 0 - 9.9-13.1 H ALA 12 - HA SER 33 far 0 95 0 - 9.9-32.5 Violated in 12 structures by 0.29 A. Peak 940 from cnoeabs.peaks (8.23, 3.91, 63.71 ppm; 3.61 A): 2 out of 9 assignments used, quality = 1.00: * H SER 33 + HB2 SER 33 OK 100 100 100 100 2.8-3.5 6367=100, 945/1.8=82...(15) H SER 107 + HB2 SER 107 OK 80 87 100 92 2.4-3.5 4.1=70, 7554/7556=40...(6) H ALA 29 - HB2 SER 107 far 7 74 10 - 4.5-24.6 H ARG 23 - HB2 SER 107 far 4 78 5 - 5.0-37.9 H LYS 31 - HB2 SER 33 far 0 100 0 - 5.9-8.8 H ARG 23 - HB2 SER 33 far 0 95 0 - 6.4-24.9 H LYS 31 - HB2 SER 107 far 0 87 0 - 6.5-25.3 H ALA 29 - HB2 SER 33 far 0 90 0 - 8.0-12.1 H LEU 123 - HB2 SER 107 far 0 51 0 - 10.0-18.5 Violated in 0 structures by 0.00 A. Peak 941 from cnoeabs.peaks (4.40, 3.91, 63.71 ppm; 3.26 A): 2 out of 10 assignments used, quality = 1.00: * HA SER 33 + HB2 SER 33 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 107 + HB2 SER 107 OK 83 83 100 100 2.4-3.0 3.0=100 HA PRO 113 - HB2 SER 107 far 3 56 5 - 4.2-19.0 HA VAL 112 - HB2 SER 107 far 0 56 0 - 5.1-17.7 HA ASP 71 - HB2 SER 33 far 0 85 0 - 6.1-15.6 HA ASP 71 - HB2 SER 107 far 0 68 0 - 6.2-18.4 HA MET 11 - HB2 SER 107 far 0 53 0 - 6.4-54.0 HA CYS 73 - HB2 SER 33 far 0 96 0 - 7.9-17.4 HA ASP 78 - HB2 SER 33 far 0 95 0 - 9.5-24.8 HA THR 115 - HB2 SER 107 far 0 87 0 - 9.7-20.8 Violated in 0 structures by 0.00 A. Peak 942 from cnoeabs.peaks (3.91, 3.91, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 33 + HB2 SER 33 OK 100 100 - 100 HB2 SER 107 + HB2 SER 107 OK 81 81 - 100 Peak 943 from cnoeabs.peaks (3.85, 3.91, 63.71 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 33 + HB2 SER 33 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HB2 SER 107 far 0 84 0 - 6.5-19.4 HA LEU 70 - HB2 SER 107 far 0 44 0 - 8.5-18.0 Violated in 0 structures by 0.00 A. Peak 944 from cnoeabs.peaks (8.43, 3.91, 63.71 ppm; 3.49 A): 1 out of 9 assignments used, quality = 1.00: * H ALA 34 + HB2 SER 33 OK 100 100 100 100 1.7-4.6 6373=94, 949/1.8=73...(14) H ASN 116 - HB2 SER 107 far 0 75 0 - 6.4-17.7 H ALA 12 - HB2 SER 107 far 0 78 0 - 6.5-51.7 H SER 74 - HB2 SER 33 far 0 71 0 - 6.9-17.4 H MET 11 - HB2 SER 107 far 0 68 0 - 7.9-55.8 H ASN 13 - HB2 SER 33 far 0 100 0 - 8.1-32.1 H MET 11 - HB2 SER 33 far 0 85 0 - 9.3-32.0 H SER 74 - HB2 SER 107 far 0 56 0 - 9.5-20.4 H ALA 12 - HB2 SER 33 far 0 95 0 - 9.6-31.9 Violated in 8 structures by 0.13 A. Peak 945 from cnoeabs.peaks (8.23, 3.85, 63.71 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * H SER 33 + HB3 SER 33 OK 100 100 100 100 2.7-3.6 6368=99, 6367/1.8=72...(15) H ARG 23 - HB3 SER 33 far 0 95 0 - 6.4-25.8 H LYS 31 - HB3 SER 33 far 0 100 0 - 6.5-9.1 H ALA 29 - HB3 SER 33 far 0 90 0 - 7.5-12.8 Violated in 11 structures by 0.11 A. Peak 946 from cnoeabs.peaks (4.40, 3.85, 63.71 ppm; 2.96 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 33 + HB3 SER 33 OK 100 100 100 100 2.4-3.0 3.0=93, 937/1.8=43...(14) HA ASP 71 - HB3 SER 33 far 0 85 0 - 5.3-16.1 HA CYS 73 - HB3 SER 33 far 0 96 0 - 8.5-18.4 HA MET 11 - HB3 SER 33 far 0 68 0 - 9.6-31.9 Violated in 7 structures by 0.02 A. Peak 947 from cnoeabs.peaks (3.91, 3.85, 63.71 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 33 + HB3 SER 33 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 14 - HB3 SER 33 far 0 99 0 - 5.2-31.4 HA3 GLY 75 - HB3 SER 33 far 0 99 0 - 5.4-20.3 HA3 GLY 14 - HB3 SER 33 far 0 99 0 - 5.7-31.9 HA ALA 41 - HB3 SER 33 far 0 100 0 - 7.6-15.4 Violated in 0 structures by 0.00 A. Peak 948 from cnoeabs.peaks (3.85, 3.85, 63.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 33 + HB3 SER 33 OK 100 100 - 100 Peak 949 from cnoeabs.peaks (8.43, 3.85, 63.71 ppm; 3.46 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 34 + HB3 SER 33 OK 100 100 100 100 1.9-4.5 944/1.8=71, 939/946=68...(20) H ASN 13 - HB3 SER 33 far 0 100 0 - 6.4-31.4 H SER 74 - HB3 SER 33 far 0 71 0 - 7.4-18.1 H ALA 12 - HB3 SER 33 far 0 95 0 - 8.3-31.1 H MET 11 - HB3 SER 33 far 0 85 0 - 8.7-31.7 Violated in 9 structures by 0.18 A. Peak 950 from cnoeabs.peaks (8.43, 4.22, 53.50 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 34 + HA ALA 34 OK 100 100 100 100 2.8-2.9 3.0=100 H SER 74 - HA ALA 34 far 0 71 0 - 6.7-13.8 Violated in 0 structures by 0.00 A. Peak 951 from cnoeabs.peaks (4.22, 4.22, 53.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 34 + HA ALA 34 OK 100 100 - 100 Peak 952 from cnoeabs.peaks (1.42, 4.22, 53.50 ppm; 2.62 A): 1 out of 7 assignments used, quality = 1.00: * QB ALA 34 + HA ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 16 - HA ALA 34 far 0 93 0 - 5.8-25.7 HG2 LYS 26 - HA ALA 34 far 0 93 0 - 6.8-22.1 HG3 LYS 24 - HA ALA 34 far 0 65 0 - 6.8-24.6 HG13 ILE 32 - HA ALA 34 far 0 83 0 - 7.1-10.2 HG3 LYS 31 - HA ALA 34 far 0 63 0 - 8.3-13.4 HG2 LYS 31 - HA ALA 34 far 0 76 0 - 9.1-13.8 Violated in 0 structures by 0.00 A. Peak 953 from cnoeabs.peaks (8.38, 4.22, 53.50 ppm; 3.51 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 35 + HA ALA 34 OK 100 100 100 100 3.2-3.6 6380=100, 6381/2.1=82...(10) H SER 74 - HA ALA 34 far 0 81 0 - 6.7-13.8 H THR 65 - HA ALA 34 far 0 99 0 - 8.8-18.6 H LYS 26 - HA ALA 34 far 0 90 0 - 8.9-20.5 H LYS 24 - HA ALA 34 far 0 89 0 - 9.0-25.0 Violated in 2 structures by 0.00 A. Peak 954 from cnoeabs.peaks (8.43, 1.42, 18.75 ppm; 2.74 A): 1 out of 10 assignments used, quality = 1.00: * H ALA 34 + QB ALA 34 OK 100 100 100 100 2.0-2.4 6376=100, 4.6/6381=20...(9) H ALA 12 - QB ALA 16 far 5 47 10 - 3.7-11.2 H ASN 13 - QB ALA 16 far 3 53 5 - 2.4-9.5 H SER 74 - QB ALA 34 far 0 71 0 - 4.4-13.4 H MET 11 - QB ALA 16 far 0 40 0 - 5.5-14.3 H ALA 34 - QB ALA 16 far 0 54 0 - 7.3-25.8 H ASN 116 - QB ALA 16 far 0 45 0 - 9.0-37.1 H ASP 47 - QB ALA 34 far 0 68 0 - 9.5-14.9 H VAL 93 - QB ALA 34 far 0 100 0 - 9.6-18.6 H ASN 13 - QB ALA 34 far 0 100 0 - 9.6-31.3 Violated in 0 structures by 0.00 A. Peak 955 from cnoeabs.peaks (4.22, 1.42, 18.75 ppm; 2.57 A): 1 out of 14 assignments used, quality = 1.00: * HA ALA 34 + QB ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 SER 38 - QB ALA 34 far 0 100 0 - 4.2-8.1 HA SER 51 - QB ALA 16 far 0 51 0 - 4.6-31.5 HB3 SER 38 - QB ALA 16 far 0 54 0 - 5.7-29.8 HB THR 25 - QB ALA 16 far 0 34 0 - 5.7-19.3 HA ALA 34 - QB ALA 16 far 0 54 0 - 5.8-25.7 HA GLU 30 - QB ALA 34 far 0 100 0 - 6.3-12.5 HA HIS 67 - QB ALA 34 far 0 99 0 - 6.9-15.7 HA GLU 30 - QB ALA 16 far 0 54 0 - 7.5-21.9 HA ALA 29 - QB ALA 34 far 0 100 0 - 8.5-10.8 HB THR 25 - QB ALA 34 far 0 76 0 - 8.6-18.5 HA GLN 27 - QB ALA 34 far 0 85 0 - 9.2-16.1 HA ALA 29 - QB ALA 16 far 0 53 0 - 9.6-19.4 HA ALA 28 - QB ALA 16 far 0 47 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 956 from cnoeabs.peaks (1.42, 1.42, 18.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 34 + QB ALA 34 OK 100 100 - 100 QB ALA 16 + QB ALA 16 OK 46 46 - 100 Peak 957 from cnoeabs.peaks (8.38, 1.42, 18.75 ppm; 3.60 A): 1 out of 13 assignments used, quality = 1.00: * H ASP 35 + QB ALA 34 OK 100 100 100 100 2.1-3.4 6381=100, 6380/2.1=81...(12) H SER 74 - QB ALA 34 far 12 81 15 - 4.4-13.4 H GLY 14 - QB ALA 16 poor 11 38 30 - 2.4-6.9 H MET 11 - QB ALA 16 far 0 29 0 - 5.5-14.3 H LYS 24 - QB ALA 34 far 0 89 0 - 6.8-22.4 H ASP 35 - QB ALA 16 far 0 54 0 - 6.9-27.3 H LYS 26 - QB ALA 16 far 0 43 0 - 7.1-19.7 H LYS 26 - QB ALA 34 far 0 90 0 - 7.4-17.5 H LYS 24 - QB ALA 16 far 0 42 0 - 7.8-14.7 H THR 65 - QB ALA 34 far 0 99 0 - 8.7-17.0 H GLN 27 - QB ALA 34 far 0 100 0 - 8.9-16.3 H GLN 27 - QB ALA 16 far 0 54 0 - 9.3-19.7 H GLY 14 - QB ALA 34 far 0 83 0 - 9.4-29.9 Violated in 0 structures by 0.00 A. Peak 958 from cnoeabs.peaks (8.38, 4.52, 54.77 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 35 + HA ASP 35 OK 100 100 100 100 2.7-2.9 3.0=100 H LYS 26 - HA ASP 35 far 0 90 0 - 6.4-23.6 H LYS 24 - HA ASP 35 far 0 89 0 - 7.5-27.6 H GLN 27 - HA ASP 35 far 0 100 0 - 8.4-21.8 Violated in 0 structures by 0.00 A. Peak 959 from cnoeabs.peaks (4.52, 4.52, 54.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 35 + HA ASP 35 OK 100 100 - 100 Peak 960 from cnoeabs.peaks (2.67, 4.52, 54.77 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 35 + HA ASP 35 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 961 from cnoeabs.peaks (2.75, 4.52, 54.77 ppm; 3.33 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 35 + HA ASP 35 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 TYR 76 - HA ASP 35 far 0 98 0 - 5.9-13.3 HB3 ASP 78 - HA ASP 35 far 0 96 0 - 7.7-19.7 HB3 ASN 13 - HA ASP 35 far 0 81 0 - 9.6-40.0 Violated in 0 structures by 0.00 A. Peak 962 from cnoeabs.peaks (8.00, 4.52, 54.77 ppm; 3.30 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 36 + HA ASP 35 OK 100 100 100 100 3.2-3.5 6388=100, 6387/3.0=54...(19) H ILE 37 + HA ASP 35 OK 51 60 100 85 3.6-4.7 4.4/6388=33...(16) H SER 38 + HA ASP 35 OK 45 93 65 74 3.6-6.7 3.9/10795=31, 6427=20...(12) H THR 18 - HA ASP 35 far 0 76 0 - 4.9-34.4 Violated in 0 structures by 0.00 A. Peak 963 from cnoeabs.peaks (8.38, 2.67, 40.19 ppm; 3.73 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 35 + HB2 ASP 35 OK 100 100 100 100 2.1-3.1 6383=100, 6387/6389=53...(6) H LYS 26 - HB2 ASP 35 far 5 90 5 - 3.6-22.7 H LYS 24 - HB2 ASP 35 far 0 89 0 - 5.7-27.3 H GLN 27 - HB2 ASP 35 far 0 100 0 - 6.1-21.0 H MET 11 - HB2 ASP 35 far 0 65 0 - 9.5-35.2 H SER 74 - HB2 ASP 35 far 0 81 0 - 9.6-17.4 Violated in 0 structures by 0.00 A. Peak 964 from cnoeabs.peaks (4.52, 2.67, 40.19 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 35 + HB2 ASP 35 OK 100 100 100 100 2.7-3.0 3.0=100 HA TYR 72 - HB2 ASP 35 far 0 63 0 - 6.5-13.7 HA SER 38 - HB2 ASP 35 far 0 89 0 - 6.8-9.6 Violated in 0 structures by 0.00 A. Peak 965 from cnoeabs.peaks (2.67, 2.67, 40.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 35 + HB2 ASP 35 OK 100 100 - 100 Peak 966 from cnoeabs.peaks (2.75, 2.67, 40.19 ppm; 2.60 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 35 + HB2 ASP 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 78 - HB2 ASP 35 far 0 96 0 - 7.2-22.5 HB2 TYR 76 - HB2 ASP 35 far 0 98 0 - 8.2-15.9 HB3 ASN 13 - HB2 ASP 35 far 0 81 0 - 8.4-38.0 Violated in 0 structures by 0.00 A. Peak 967 from cnoeabs.peaks (8.00, 2.67, 40.19 ppm; 4.16 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 36 + HB2 ASP 35 OK 100 100 100 100 3.0-4.0 6389=100, 6390/1.8=83...(7) H ILE 37 + HB2 ASP 35 OK 37 60 75 82 4.9-6.0 4.4/6389=48...(8) H SER 38 - HB2 ASP 35 far 0 93 0 - 5.8-9.0 H THR 18 - HB2 ASP 35 far 0 76 0 - 6.4-33.7 Violated in 0 structures by 0.00 A. Peak 968 from cnoeabs.peaks (8.38, 2.75, 40.19 ppm; 3.91 A): 2 out of 16 assignments used, quality = 1.00: * H ASP 35 + HB3 ASP 35 OK 100 100 100 100 2.1-3.4 6383/1.8=94, 4.0=90...(8) H THR 65 + HB2 ASP 64 OK 61 64 100 96 2.2-2.9 6840/1.8=69, 4.6=62...(9) H LYS 26 - HB3 ASP 35 far 5 90 5 - 4.1-24.1 H LYS 24 - HB3 ASP 35 far 4 89 5 - 4.8-28.1 H GLN 27 - HB2 ASP 64 far 3 65 5 - 5.0-20.0 H LYS 26 - HB2 ASP 64 far 3 53 5 - 4.0-22.5 H MET 11 - HB3 ASP 78 far 1 30 5 - 3.8-43.4 H GLN 27 - HB3 ASP 35 far 0 100 0 - 6.7-22.3 H ASP 35 - HB3 ASP 78 far 0 56 0 - 6.7-20.9 H SER 74 - HB3 ASP 78 far 0 39 0 - 7.6-9.9 H LYS 24 - HB2 ASP 64 far 0 52 0 - 8.0-23.0 H GLY 14 - HB2 ASP 64 far 0 47 0 - 8.8-34.5 H MET 11 - HB3 ASP 35 far 0 65 0 - 9.0-35.8 H SER 74 - HB3 ASP 35 far 0 81 0 - 9.4-17.2 H GLY 14 - HB3 ASP 35 far 0 83 0 - 9.4-35.2 H ASP 35 - HB2 ASP 64 far 0 66 0 - 9.9-20.6 Violated in 0 structures by 0.00 A. Peak 969 from cnoeabs.peaks (4.52, 2.75, 40.19 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 35 + HB3 ASP 35 OK 100 100 100 100 2.6-3.0 3.0=100 HA TYR 72 - HB3 ASP 35 far 0 63 0 - 6.6-13.4 HA SER 38 - HB3 ASP 35 far 0 89 0 - 6.9-9.3 HA ASP 35 - HB3 ASP 78 far 0 56 0 - 7.7-19.7 HA TYR 72 - HB3 ASP 78 far 0 28 0 - 8.4-9.7 HA SER 38 - HB3 ASP 78 far 0 44 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 970 from cnoeabs.peaks (2.67, 2.75, 40.19 ppm; 2.58 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 35 + HB3 ASP 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 35 - HB3 ASP 78 far 0 56 0 - 7.2-22.5 Violated in 0 structures by 0.00 A. Peak 971 from cnoeabs.peaks (2.75, 2.75, 40.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASP 35 + HB3 ASP 35 OK 100 100 - 100 HB2 ASP 64 + HB2 ASP 64 OK 66 66 - 100 HB3 ASP 78 + HB3 ASP 78 OK 50 50 - 100 Peak 972 from cnoeabs.peaks (8.00, 2.75, 40.19 ppm; 4.30 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 36 + HB3 ASP 35 OK 100 100 100 100 3.3-4.1 6390=100, 6389/1.8=89...(7) H ILE 37 + HB3 ASP 35 OK 40 60 80 84 5.3-6.0 4.4/6390=50, 967/1.8=22...(9) H SER 38 - HB3 ASP 35 far 5 93 5 - 5.8-8.9 H THR 18 - HB3 ASP 35 far 4 76 5 - 5.6-34.6 H ILE 37 - HB2 ASP 64 far 0 32 0 - 9.2-18.2 H LYS 36 - HB3 ASP 78 far 0 56 0 - 9.4-20.9 H LYS 36 - HB2 ASP 64 far 0 66 0 - 9.5-19.5 H SER 38 - HB3 ASP 78 far 0 48 0 - 9.9-17.1 Violated in 0 structures by 0.00 A. Peak 973 from cnoeabs.peaks (8.00, 4.27, 56.84 ppm; 3.35 A): 4 out of 17 assignments used, quality = 1.00: * H LYS 36 + HA LYS 36 OK 100 100 100 100 2.9-2.9 3.0=100 H ILE 37 + HA LYS 36 OK 57 60 100 96 3.3-3.5 3.6=82, 6405/3.0=22...(13) H SER 38 + HA LYS 36 OK 31 93 55 60 3.2-6.8 4.6/6403=33...(8) H THR 18 + HA LYS 19 OK 23 46 70 73 4.4-5.6 6144/3.0=43, ~226=18...(7) H THR 18 - HA LYS 36 far 4 76 5 - 4.2-35.6 H THR 18 - HA LYS 31 far 0 37 0 - 5.2-25.2 H SER 51 - HA LYS 26 far 0 75 0 - 6.3-26.8 H LYS 36 - HA LYS 31 far 0 58 0 - 6.7-11.8 H THR 18 - HA LYS 26 far 0 56 0 - 7.0-19.3 H SER 38 - HA LYS 19 far 0 61 0 - 7.4-33.8 H LYS 36 - HA LYS 26 far 0 83 0 - 7.6-22.0 H SER 51 - HA LYS 19 far 0 63 0 - 7.9-37.3 H ILE 37 - HA LYS 31 far 0 28 0 - 8.7-13.0 H ILE 37 - HA LYS 19 far 0 35 0 - 9.2-32.6 H LYS 36 - HA LYS 19 far 0 71 0 - 9.3-33.0 H ILE 37 - HA LYS 26 far 0 43 0 - 9.6-22.2 H VAL 57 - HA LYS 19 far 0 64 0 - 9.7-38.0 Violated in 0 structures by 0.00 A. Peak 974 from cnoeabs.peaks (4.27, 4.27, 56.84 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LYS 36 + HA LYS 36 OK 100 100 - 100 HA LYS 26 + HA LYS 26 OK 81 81 - 100 HA LYS 19 + HA LYS 19 OK 67 67 - 100 HA LYS 31 + HA LYS 31 OK 58 58 - 100 Peak 975 from cnoeabs.peaks (1.82, 4.27, 56.84 ppm; 3.37 A): 4 out of 30 assignments used, quality = 1.00: * HB2 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HA LYS 26 OK 82 82 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 69 69 100 100 2.3-2.7 3.0=100 HB3 LYS 31 + HA LYS 31 OK 57 57 100 100 2.2-3.0 3.0=100 HB ILE 32 - HA LYS 36 poor 20 100 20 - 3.6-10.5 HB3 LYS 31 - HA LYS 26 poor 18 81 40 56 2.7-15.0 4.6/798=5, 1.8/800=5...(20) HB3 LYS 26 - HA LYS 31 poor 12 58 20 - 4.4-15.8 HB3 LYS 24 - HA LYS 36 far 5 100 5 - 4.3-28.6 HB3 ARG 23 - HA LYS 36 far 5 99 5 - 4.0-26.9 HB3 LYS 24 - HA LYS 19 poor 5 70 30 22 2.0-13.2 2.9/822=3, 2.9/271=3...(7) HB ILE 32 - HA LYS 26 far 4 83 5 - 4.8-15.1 HB3 ARG 23 - HA LYS 26 far 4 81 5 - 4.4-10.8 HB3 LYS 31 - HA LYS 19 far 3 69 5 - 3.9-25.7 HB3 LYS 19 - HA LYS 31 far 3 57 5 - 4.5-26.9 HB3 LYS 19 - HA LYS 26 far 0 81 0 - 5.0-20.0 HB ILE 32 - HA LYS 31 far 0 58 0 - 5.1-6.1 HB2 LYS 36 - HA LYS 31 far 0 58 0 - 5.5-14.2 HB3 LYS 26 - HA LYS 19 far 0 70 0 - 5.6-21.5 HB3 ARG 23 - HA LYS 19 far 0 69 0 - 5.9-12.8 HB3 LYS 24 - HA LYS 26 far 0 82 0 - 6.1-8.8 HB3 LYS 31 - HA LYS 36 far 0 100 0 - 6.7-16.3 HB3 LYS 26 - HA LYS 36 far 0 100 0 - 6.9-25.7 HB3 ARG 23 - HA LYS 31 far 0 56 0 - 7.1-20.6 HB2 LYS 36 - HA LYS 26 far 0 83 0 - 7.2-24.7 HB3 LYS 24 - HA LYS 31 far 0 58 0 - 7.6-18.1 HB2 LYS 36 - HA LYS 19 far 0 71 0 - 7.9-35.2 HB2 CYS 79 - HA LYS 36 far 0 78 0 - 8.5-17.2 HB2 CYS 79 - HA LYS 19 far 0 48 0 - 8.5-37.3 HB3 LYS 19 - HA LYS 36 far 0 100 0 - 8.6-35.4 HB3 LEU 103 - HA LYS 26 far 0 54 0 - 8.8-25.1 Violated in 0 structures by 0.00 A. Peak 976 from cnoeabs.peaks (1.88, 4.27, 56.84 ppm; 3.55 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 LEU 48 - HA LYS 26 far 0 77 0 - 5.5-25.9 HB3 LYS 36 - HA LYS 19 far 0 71 0 - 6.2-34.1 HB3 LYS 36 - HA LYS 31 far 0 58 0 - 6.3-14.1 HB3 LEU 48 - HA LYS 19 far 0 65 0 - 6.4-34.9 HB2 GLU 40 - HA LYS 36 far 0 92 0 - 6.4-13.8 HB3 LYS 36 - HA LYS 26 far 0 83 0 - 6.8-24.0 HB2 GLU 40 - HA LYS 26 far 0 71 0 - 9.6-29.4 HB3 LEU 48 - HA LYS 36 far 0 97 0 - 9.7-18.7 Violated in 0 structures by 0.00 A. Peak 977 from cnoeabs.peaks (1.38, 4.27, 56.84 ppm; 3.64 A): 5 out of 49 assignments used, quality = 1.00: * HG2 LYS 36 + HA LYS 36 OK 100 100 100 100 2.3-3.8 4.1=69, 6394/3.0=56...(33) HG3 LYS 26 + HA LYS 26 OK 82 83 100 99 2.6-3.9 4.0=73, 6253/2.9=51...(31) HG2 LYS 19 + HA LYS 19 OK 57 58 100 98 2.3-3.7 4.2=67, 6151/3.0=42...(42) HG3 LYS 31 + HA LYS 31 OK 53 54 100 99 2.0-4.2 3.8=88, 6334/3.0=25...(22) QB ALA 28 + HA LYS 26 OK 20 82 40 61 3.8-7.4 6265/3.6=23, ~10769=20...(9) HG3 LYS 31 - HA LYS 26 poor 19 77 25 - 2.3-14.5 HG2 LYS 24 - HA LYS 19 poor 16 70 35 66 2.2-15.3 1.8/822=5, 271=4, ~281=2...(47) HG3 LYS 26 - HA LYS 31 poor 12 58 20 - 4.5-16.0 HG3 LYS 26 - HA LYS 36 far 10 100 10 - 4.9-27.4 QB ALA 15 - HA LYS 31 far 9 58 15 - 1.9-22.8 QB ALA 12 - HA LYS 19 far 7 50 15 - 3.4-15.1 HG2 LYS 24 - HA LYS 26 far 4 83 5 - 4.2-10.1 QB ALA 110 - HA LYS 26 far 4 82 5 - 3.4-31.5 QB ALA 29 - HA LYS 26 far 4 83 5 - 5.0-9.8 QB ALA 109 - HA LYS 26 far 4 79 5 - 4.0-28.9 QB ALA 15 - HA LYS 19 far 4 70 5 - 3.6-11.2 HG2 LYS 19 - HA LYS 31 far 2 47 5 - 4.9-26.6 QB ALA 12 - HA LYS 31 far 2 40 5 - 4.3-22.8 QB ALA 16 - HA LYS 31 far 2 36 5 - 4.5-22.4 QB ALA 108 - HA LYS 26 far 0 82 0 - 5.2-27.3 QB ALA 28 - HA LYS 19 far 0 70 0 - 5.3-19.3 QB ALA 28 - HA LYS 31 far 0 58 0 - 5.5-7.8 HG3 LYS 31 - HA LYS 19 far 0 65 0 - 5.5-23.5 HB2 LEU 42 - HA LYS 36 far 0 100 0 - 5.6-11.0 QB ALA 29 - HA LYS 36 far 0 100 0 - 5.6-13.8 QB ALA 15 - HA LYS 26 far 0 82 0 - 5.6-18.8 QB ALA 16 - HA LYS 19 far 0 44 0 - 5.7-9.7 HG3 LYS 31 - HA LYS 36 far 0 97 0 - 5.9-16.7 QB ALA 29 - HA LYS 31 far 0 58 0 - 6.1-7.3 HG2 LYS 19 - HA LYS 26 far 0 69 0 - 6.3-22.3 QB ALA 16 - HA LYS 36 far 0 73 0 - 6.4-29.0 HG2 LYS 36 - HA LYS 19 far 0 71 0 - 6.5-33.1 HG2 LYS 24 - HA LYS 31 far 0 58 0 - 6.7-19.6 QB ALA 110 - HA LYS 19 far 0 70 0 - 6.8-43.3 QB ALA 16 - HA LYS 26 far 0 54 0 - 6.9-18.9 HG2 LYS 24 - HA LYS 36 far 0 100 0 - 7.0-29.4 QB ALA 12 - HA LYS 26 far 0 60 0 - 7.0-18.9 HG2 LYS 36 - HA LYS 31 far 0 58 0 - 7.1-11.7 HG2 LYS 36 - HA LYS 26 far 0 83 0 - 7.4-22.3 HG2 LYS 19 - HA LYS 36 far 0 90 0 - 7.5-37.3 QB ALA 108 - HA LYS 31 far 0 57 0 - 7.7-25.8 QB ALA 109 - HA LYS 19 far 0 67 0 - 7.8-40.6 QB ALA 29 - HA LYS 19 far 0 71 0 - 8.0-19.1 HG3 LYS 26 - HA LYS 19 far 0 70 0 - 8.0-21.2 QB ALA 28 - HA LYS 36 far 0 100 0 - 8.4-17.1 QB ALA 108 - HA LYS 19 far 0 70 0 - 8.5-39.5 QB ALA 15 - HA LYS 36 far 0 100 0 - 8.6-28.8 QB ALA 12 - HA LYS 36 far 0 81 0 - 9.0-27.7 QB ALA 109 - HA LYS 31 far 0 55 0 - 9.1-27.0 Violated in 0 structures by 0.00 A. Peak 978 from cnoeabs.peaks (1.47, 4.27, 56.84 ppm; 4.21 A): 3 out of 23 assignments used, quality = 1.00: * HG3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.0-4.2 4.1=100 HG3 LYS 19 + HA LYS 19 OK 46 46 100 100 2.6-4.0 4.2=100 HG2 LYS 31 + HA LYS 31 OK 34 34 100 100 2.1-4.2 3.8=100 HG3 LYS 24 - HA LYS 19 poor 20 50 40 - 1.9-15.2 HG2 LYS 31 - HA LYS 26 poor 18 52 35 - 3.2-15.5 HG13 ILE 32 - HA LYS 31 poor 16 30 55 - 4.2-6.8 HG13 ILE 32 - HA LYS 26 poor 14 45 30 - 3.0-13.3 HG LEU 42 - HA LYS 36 far 4 83 5 - 5.3-13.0 HG2 LYS 31 - HA LYS 36 far 4 71 5 - 5.4-17.1 HG13 ILE 32 - HA LYS 36 far 3 63 5 - 5.2-12.3 HG3 LYS 24 - HA LYS 26 far 3 60 5 - 5.5-9.6 HG3 LYS 36 - HA LYS 31 far 3 58 5 - 5.5-12.3 HG3 LYS 19 - HA LYS 26 far 3 56 5 - 5.3-21.7 HG3 LYS 19 - HA LYS 31 far 2 37 5 - 4.9-27.9 HG2 LYS 31 - HA LYS 19 far 0 43 0 - 5.8-24.5 HG3 LYS 36 - HA LYS 26 far 0 83 0 - 5.8-22.9 HG3 LYS 24 - HA LYS 31 far 0 40 0 - 6.1-18.0 HG3 LYS 36 - HA LYS 19 far 0 71 0 - 6.6-33.2 HG3 LYS 24 - HA LYS 36 far 0 81 0 - 6.7-27.7 QB ALA 52 - HA LYS 26 far 0 74 0 - 7.0-22.6 QB ALA 52 - HA LYS 19 far 0 62 0 - 7.8-28.1 HG3 LYS 19 - HA LYS 36 far 0 76 0 - 8.1-37.0 HG13 ILE 32 - HA LYS 19 far 0 37 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 979 from cnoeabs.peaks (1.67, 4.27, 56.84 ppm; 4.57 A): 12 out of 44 assignments used, quality = 1.00: * HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 3.5-5.3 5.3=65, 1031/3.0=41...(34) HD3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.0-5.3 5.3=65, 1031/3.0=41...(33) HD2 LYS 26 + HA LYS 26 OK 77 77 100 100 2.1-5.4 5.0=78, ~6252=40...(33) HD3 LYS 26 + HA LYS 26 OK 75 75 100 100 2.1-5.1 5.0=78, ~6252=40...(33) HD2 LYS 31 + HA LYS 31 OK 54 54 100 99 2.0-5.4 5.2=67, ~6332=32...(37) HD3 LYS 31 + HA LYS 31 OK 53 54 100 99 2.0-4.9 5.2=67, ~6332=32...(37) HD3 LYS 19 + HA LYS 19 OK 49 50 100 99 2.0-4.8 5.2=69, ~6151=32...(42) HD2 LYS 19 + HA LYS 19 OK 49 50 100 99 2.0-4.5 5.2=69, ~6151=32...(42) HD3 LYS 24 + HA LYS 19 OK 23 65 40 88 2.2-14.1 3.0/822=5, 3.0/271=4...(93) HD3 LYS 31 + HA LYS 26 OK 22 77 30 96 4.2-13.7 2.9/822=6, 3.5/800=5...(163) HD2 LYS 31 + HA LYS 26 OK 22 78 30 94 2.5-14.0 2.9/822=6, 3.5/800=5...(135) HD2 LYS 24 + HA LYS 19 OK 21 66 35 92 3.3-14.3 3.0/822=5, 3.0/271=4...(125) HD3 LYS 26 - HA LYS 31 poor 18 52 35 - 4.2-17.5 HD3 LYS 26 - HA LYS 36 far 14 96 15 - 5.8-27.5 HD2 LYS 26 - HA LYS 31 poor 13 54 25 - 4.7-17.2 HD2 LYS 26 - HA LYS 36 far 10 97 10 - 4.9-28.2 HD2 LYS 36 - HA LYS 31 far 9 58 15 - 4.5-11.5 HD2 LYS 24 - HA LYS 36 far 5 98 5 - 6.0-27.3 HD2 LYS 24 - HA LYS 26 far 4 78 5 - 6.0-10.6 HD3 LYS 24 - HA LYS 26 far 4 77 5 - 4.6-10.7 HD3 LYS 36 - HA LYS 31 far 3 58 5 - 5.5-11.8 HD2 LYS 19 - HA LYS 31 far 2 40 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 2 40 5 - 3.5-28.9 HD3 LYS 26 - HA LYS 19 far 0 63 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 65 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 60 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 98 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 60 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 83 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 100 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 83 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 65 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 97 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 97 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 65 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 54 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 66 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 66 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 54 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 99 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 71 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 71 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 58 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 81 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 980 from cnoeabs.peaks (1.67, 4.27, 56.84 ppm; 4.57 A): 12 out of 44 assignments used, quality = 1.00: HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 3.5-5.3 5.3=65, 1031/3.0=41...(34) * HD3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.0-5.3 5.3=65, 1031/3.0=41...(33) HD2 LYS 26 + HA LYS 26 OK 77 77 100 100 2.1-5.4 5.0=78, ~6252=40...(33) HD3 LYS 26 + HA LYS 26 OK 75 75 100 100 2.1-5.1 5.0=78, ~6252=40...(33) HD2 LYS 31 + HA LYS 31 OK 54 54 100 99 2.0-5.4 5.2=67, ~6332=32...(37) HD3 LYS 31 + HA LYS 31 OK 53 54 100 99 2.0-4.9 5.2=67, ~6332=32...(37) HD3 LYS 19 + HA LYS 19 OK 49 50 100 99 2.0-4.8 5.2=69, ~6151=32...(42) HD2 LYS 19 + HA LYS 19 OK 49 50 100 99 2.0-4.5 5.2=69, ~6151=32...(42) HD3 LYS 24 + HA LYS 19 OK 23 65 40 88 2.2-14.1 3.0/822=5, 3.0/271=4...(93) HD3 LYS 31 + HA LYS 26 OK 22 77 30 96 4.2-13.7 2.9/822=6, 3.5/800=5...(163) HD2 LYS 31 + HA LYS 26 OK 22 78 30 94 2.5-14.0 2.9/822=6, 3.5/800=5...(135) HD2 LYS 24 + HA LYS 19 OK 21 66 35 92 3.3-14.3 3.0/822=5, 3.0/271=4...(125) HD3 LYS 26 - HA LYS 31 poor 18 52 35 - 4.2-17.5 HD3 LYS 26 - HA LYS 36 far 14 96 15 - 5.8-27.5 HD2 LYS 26 - HA LYS 31 poor 13 54 25 - 4.7-17.2 HD2 LYS 26 - HA LYS 36 far 10 97 10 - 4.9-28.2 HD2 LYS 36 - HA LYS 31 far 9 58 15 - 4.5-11.5 HD2 LYS 24 - HA LYS 36 far 5 98 5 - 6.0-27.3 HD2 LYS 24 - HA LYS 26 far 4 78 5 - 6.0-10.6 HD3 LYS 24 - HA LYS 26 far 4 77 5 - 4.6-10.7 HD3 LYS 36 - HA LYS 31 far 3 58 5 - 5.5-11.8 HD2 LYS 19 - HA LYS 31 far 2 40 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 2 40 5 - 3.5-28.9 HD3 LYS 26 - HA LYS 19 far 0 63 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 65 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 60 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 98 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 60 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 83 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 100 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 83 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 65 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 97 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 97 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 65 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 54 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 66 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 66 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 54 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 99 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 71 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 71 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 58 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 81 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 983 from cnoeabs.peaks (7.97, 4.27, 56.84 ppm; 3.32 A): 4 out of 18 assignments used, quality = 1.00: * H ILE 37 + HA LYS 36 OK 100 100 100 100 3.3-3.5 6403=100, 6405/3.0=48...(14) H LYS 36 + HA LYS 36 OK 60 60 100 100 2.9-2.9 3.0=100 H THR 18 + HA LYS 19 OK 33 69 60 81 4.4-5.6 6144/3.0=55...(7) H SER 38 + HA LYS 36 OK 31 92 55 60 3.2-6.8 4.6/6403=32...(10) H THR 18 - HA LYS 36 far 5 99 5 - 4.2-35.6 H THR 18 - HA LYS 31 far 0 56 0 - 5.2-25.2 H ASP 64 - HA LYS 26 far 0 79 0 - 5.9-21.5 H SER 51 - HA LYS 26 far 0 67 0 - 6.3-26.8 H LYS 36 - HA LYS 31 far 0 28 0 - 6.7-11.8 H THR 18 - HA LYS 26 far 0 81 0 - 7.0-19.3 H SER 38 - HA LYS 19 far 0 59 0 - 7.4-33.8 H LYS 36 - HA LYS 26 far 0 43 0 - 7.6-22.0 H ASP 64 - HA LYS 31 far 0 55 0 - 7.7-20.9 H SER 51 - HA LYS 19 far 0 56 0 - 7.9-37.3 H ILE 37 - HA LYS 31 far 0 58 0 - 8.7-13.0 H ILE 37 - HA LYS 19 far 0 71 0 - 9.2-32.6 H LYS 36 - HA LYS 19 far 0 35 0 - 9.3-33.0 H ILE 37 - HA LYS 26 far 0 83 0 - 9.6-22.2 Violated in 0 structures by 0.00 A. Peak 984 from cnoeabs.peaks (8.00, 1.82, 32.86 ppm; 3.52 A): 2 out of 20 assignments used, quality = 1.00: * H LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.7 6392=100, 6393/1.8=81...(31) H ILE 37 + HB2 LYS 36 OK 58 60 100 96 2.5-4.5 4.6=45, 4.4/6392=39...(17) H LYS 36 - HB3 LYS 24 far 5 97 5 - 4.7-25.8 H THR 18 - HB3 LYS 31 far 4 71 5 - 4.3-23.7 H THR 18 - HB3 LYS 24 far 3 69 5 - 4.6-14.5 H SER 38 - HB2 LYS 36 far 0 93 0 - 5.2-7.3 H THR 18 - HB3 LYS 19 far 0 71 0 - 5.3-7.3 H THR 18 - HB3 LYS 26 far 0 69 0 - 6.1-21.5 H THR 18 - HB2 LYS 36 far 0 76 0 - 6.1-34.9 H ILE 37 - HB3 LYS 24 far 0 54 0 - 6.2-25.4 H SER 51 - HB3 LYS 26 far 0 90 0 - 6.3-27.3 H SER 51 - HB3 LYS 19 far 0 91 0 - 6.6-37.0 H LYS 36 - HB3 LYS 31 far 0 98 0 - 7.2-13.6 H LYS 36 - HB3 LYS 26 far 0 96 0 - 7.4-22.8 H VAL 57 - HB3 LYS 19 far 0 92 0 - 7.6-38.2 H SER 51 - HB3 LYS 24 far 0 90 0 - 7.9-28.8 H SER 38 - HB3 LYS 24 far 0 87 0 - 8.0-25.8 H ILE 37 - HB3 LYS 26 far 0 54 0 - 9.0-22.9 H ILE 37 - HB3 LYS 31 far 0 56 0 - 9.1-14.5 H SER 38 - HB3 LYS 19 far 0 88 0 - 9.2-33.7 Violated in 0 structures by 0.00 A. Peak 985 from cnoeabs.peaks (4.27, 1.82, 32.86 ppm; 3.29 A): 5 out of 72 assignments used, quality = 1.00: * HA LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HA LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.3-2.7 3.0=100 HA THR 25 + HB3 LYS 24 OK 24 84 30 94 4.2-6.5 3.0/6233=44, ~6232=24...(22) HA LYS 26 - HB3 LYS 31 poor 20 96 40 51 2.7-15.0 790/1.8=5, 240=5...(18) HA LYS 31 - HB3 LYS 26 poor 19 96 20 - 4.4-15.8 HA ARG 23 - HB3 LYS 24 poor 18 91 20 - 4.4-6.2 HA ARG 23 - HB3 LYS 19 far 14 92 15 - 4.3-14.0 HA ALA 21 - HB3 LYS 24 far 13 86 15 - 3.5-10.5 HA THR 18 - HB3 LYS 24 far 8 82 10 - 4.0-14.9 HA LEU 22 - HB3 LYS 24 poor 6 94 25 24 4.2-7.6 6212/4.1=8, 11967/2.9=3...(9) HA LYS 19 - HB3 LYS 24 lone 5 94 30 18 2.0-13.2 822/2.9=3, 241/2.9=3...(6) HA ALA 16 - HB3 LYS 31 far 5 98 5 - 3.3-26.4 HA ALA 16 - HB3 LYS 19 far 5 97 5 - 4.1-11.3 HA LYS 31 - HB3 LYS 19 far 5 97 5 - 4.5-26.9 HA LYS 36 - HB3 LYS 24 far 5 97 5 - 4.3-28.6 HA LYS 19 - HB3 LYS 31 far 5 95 5 - 3.9-25.7 HA GLN 61 - HB3 LYS 26 far 5 95 5 - 4.1-24.5 HA ALA 15 - HB3 LYS 19 far 5 93 5 - 3.1-13.8 HA ALA 12 - HB3 LYS 19 far 5 93 5 - 4.1-19.2 HA ARG 23 - HB3 LYS 31 far 5 93 5 - 4.2-18.6 HA ALA 21 - HB2 LYS 36 far 5 92 5 - 4.2-30.8 HA THR 25 - HB3 LYS 31 far 4 86 5 - 2.7-15.0 HA THR 25 - HB3 LYS 19 far 4 85 5 - 4.2-18.3 HA THR 18 - HB3 LYS 31 far 4 84 5 - 2.8-25.1 HA THR 25 - HB3 LYS 26 far 4 84 5 - 4.7-6.6 HA ARG 23 - HB3 LYS 26 lone 2 91 25 11 2.0-11.3 424/6251=3, 6240/511=1...(4) HA ALA 15 - HB3 LYS 31 far 0 94 0 - 4.8-24.3 HA ALA 110 - HB3 LYS 19 far 0 94 0 - 5.0-51.4 HA ALA 109 - HB3 LYS 26 far 0 96 0 - 5.0-34.1 HA LYS 26 - HB3 LYS 19 far 0 96 0 - 5.0-20.0 HA ALA 21 - HB3 LYS 19 far 0 87 0 - 5.1-9.1 HA LYS 31 - HB2 LYS 36 far 0 100 0 - 5.5-14.2 HA LYS 19 - HB3 LYS 26 far 0 94 0 - 5.6-21.5 HA THR 18 - HB3 LYS 19 far 0 83 0 - 5.6-6.6 HA ALA 108 - HB3 LYS 26 far 0 96 0 - 5.7-32.7 HA ALA 110 - HB3 LYS 26 far 0 93 0 - 5.7-35.3 HA THR 18 - HB2 LYS 36 far 0 89 0 - 5.7-36.4 HA THR 25 - HB2 LYS 36 far 0 90 0 - 5.9-25.6 HA ALA 15 - HB3 LYS 24 far 0 92 0 - 5.9-19.8 HA ALA 12 - HB3 LYS 31 far 0 94 0 - 6.0-26.6 HA LYS 26 - HB3 LYS 24 far 0 95 0 - 6.1-8.8 HA LEU 22 - HB3 LYS 26 far 0 94 0 - 6.3-13.3 HA LEU 22 - HB3 LYS 19 far 0 95 0 - 6.5-9.9 HA ARG 23 - HB2 LYS 36 far 0 97 0 - 6.5-28.2 HA ALA 15 - HB3 LYS 26 far 0 92 0 - 6.6-24.8 HA LYS 36 - HB3 LYS 31 far 0 98 0 - 6.7-16.3 HA LYS 36 - HB3 LYS 26 far 0 96 0 - 6.9-25.7 HA LEU 22 - HB2 LYS 36 far 0 99 0 - 7.2-31.8 HA LYS 26 - HB2 LYS 36 far 0 99 0 - 7.2-24.7 HA ALA 16 - HB3 LYS 24 far 0 96 0 - 7.3-17.7 HA ALA 21 - HB3 LYS 26 far 0 86 0 - 7.3-15.2 HA ALA 21 - HB3 LYS 31 far 0 87 0 - 7.4-19.9 HA ALA 12 - HB3 LYS 24 far 0 92 0 - 7.6-23.5 HA THR 18 - HB3 LYS 26 far 0 82 0 - 7.6-20.1 HA LYS 31 - HB3 LYS 24 far 0 96 0 - 7.6-18.1 HA GLN 61 - HB3 LYS 31 far 0 96 0 - 7.6-24.0 HA GLN 61 - HB3 LYS 24 far 0 95 0 - 7.7-24.4 HA ALA 108 - HB3 LYS 24 far 0 96 0 - 7.7-37.7 HA LEU 22 - HB3 LYS 31 far 0 96 0 - 7.9-19.7 HA LYS 19 - HB2 LYS 36 far 0 99 0 - 7.9-35.2 HA ALA 109 - HB3 LYS 19 far 0 97 0 - 8.0-50.5 HA ALA 109 - HB3 LYS 24 far 0 96 0 - 8.3-39.9 HA ALA 15 - HB2 LYS 36 far 0 97 0 - 8.6-31.8 HA LYS 36 - HB3 LYS 19 far 0 97 0 - 8.6-35.4 HA GLN 61 - HB3 LYS 19 far 0 96 0 - 8.7-30.4 HA ALA 16 - HB3 LYS 26 far 0 96 0 - 8.8-24.5 HA ALA 108 - HB3 LYS 31 far 0 98 0 - 9.1-32.9 HA ALA 16 - HB2 LYS 36 far 0 100 0 - 9.2-35.2 HA ALA 108 - HB3 LYS 19 far 0 97 0 - 9.5-48.5 HA SER 74 - HB3 LYS 31 far 0 86 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 986 from cnoeabs.peaks (1.82, 1.82, 32.86 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 36 + HB2 LYS 36 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 97 97 - 100 HB3 LYS 19 + HB3 LYS 19 OK 96 96 - 100 HB3 LYS 26 + HB3 LYS 26 OK 96 96 - 100 HB3 LYS 24 + HB3 LYS 24 OK 96 96 - 100 Peak 987 from cnoeabs.peaks (1.88, 1.82, 32.86 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 36 - HB3 LYS 24 far 5 97 5 - 2.3-27.7 HB3 LEU 48 - HB3 LYS 19 far 0 93 0 - 4.8-34.3 HB3 LEU 48 - HB3 LYS 26 far 0 92 0 - 5.0-26.3 HB2 GLU 40 - HB3 LYS 24 far 0 86 0 - 5.2-31.0 HB3 LEU 48 - HB3 LYS 24 far 0 92 0 - 5.8-27.6 HB3 LYS 36 - HB3 LYS 26 far 0 96 0 - 6.4-24.6 HB3 LYS 36 - HB3 LYS 31 far 0 98 0 - 6.8-15.5 HB2 GLU 40 - HB2 LYS 36 far 0 92 0 - 7.4-14.8 HB3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.3-33.8 HB3 LEU 48 - HB2 LYS 36 far 0 97 0 - 8.5-17.7 HB3 LEU 48 - HB3 LYS 31 far 0 94 0 - 9.1-23.3 HB2 GLU 40 - HB3 LYS 19 far 0 87 0 - 9.3-38.8 HB2 GLU 40 - HB3 LYS 31 far 0 87 0 - 9.4-25.2 Violated in 0 structures by 0.00 A. Peak 988 from cnoeabs.peaks (1.38, 1.82, 32.86 ppm; 3.45 A): 7 out of 65 assignments used, quality = 1.00: * HG2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 96 96 100 100 2.3-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 85 85 100 100 2.5-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 31 98 40 80 2.2-16.3 1.8/629=7, 640=7...(63) HG3 LYS 31 + HB3 LYS 26 OK 24 92 30 87 3.3-14.9 640=5, 1.8/284=4...(100) HG2 LYS 24 - HB3 LYS 19 poor 19 97 20 - 2.0-15.9 QB ALA 28 - HB3 LYS 31 far 15 98 15 - 4.8-8.0 QB ALA 15 - HB3 LYS 19 far 15 97 15 - 4.0-12.6 QB ALA 15 - HB3 LYS 31 far 10 98 10 - 2.6-21.8 HG2 LYS 19 - HB3 LYS 24 far 8 84 10 - 3.4-16.0 HG3 LYS 26 - HB2 LYS 36 far 5 100 5 - 4.6-27.1 HG3 LYS 31 - HB2 LYS 36 far 5 97 5 - 3.8-16.2 QB ALA 29 - HB3 LYS 24 far 5 97 5 - 2.6-12.1 HG2 LYS 24 - HB3 LYS 26 far 5 96 5 - 2.9-11.3 QB ALA 110 - HB3 LYS 26 far 5 96 5 - 3.1-29.9 HG2 LYS 36 - HB3 LYS 24 far 5 97 5 - 4.9-26.5 QB ALA 15 - HB3 LYS 24 far 5 96 5 - 4.1-15.5 QB ALA 108 - HB3 LYS 26 far 5 96 5 - 3.5-26.4 HG3 LYS 31 - HB3 LYS 19 far 5 93 5 - 3.7-24.3 HG3 LYS 31 - HB3 LYS 24 far 5 92 5 - 4.8-17.7 HG2 LYS 19 - HB3 LYS 31 far 4 86 5 - 4.7-26.5 QB ALA 12 - HB3 LYS 31 far 4 76 5 - 3.4-20.9 QB ALA 12 - HB3 LYS 19 far 4 75 5 - 1.9-16.7 QB ALA 16 - HB3 LYS 31 far 3 69 5 - 3.6-22.8 QB ALA 16 - HB3 LYS 19 far 3 68 5 - 4.9-10.4 QB ALA 28 - HB3 LYS 24 lone 1 96 25 5 3.3-12.8 6234/6233=2, 10790=1 QB ALA 29 - HB2 LYS 36 far 0 100 0 - 5.0-13.4 QB ALA 28 - HB3 LYS 19 far 0 97 0 - 5.1-20.6 QB ALA 110 - HB3 LYS 19 far 0 97 0 - 5.1-43.2 HG2 LYS 24 - HB3 LYS 31 far 0 98 0 - 5.1-19.1 QB ALA 108 - HB3 LYS 24 far 0 96 0 - 5.2-30.4 QB ALA 28 - HB3 LYS 26 far 0 96 0 - 5.2-7.7 QB ALA 29 - HB3 LYS 26 far 0 96 0 - 5.3-9.5 HG3 LYS 26 - HB3 LYS 24 far 0 96 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 100 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 95 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 94 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 94 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 98 0 - 5.9-8.3 QB ALA 16 - HB3 LYS 24 far 0 67 0 - 6.0-15.3 HG2 LYS 19 - HB3 LYS 26 far 0 84 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 96 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 95 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 97 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 100 0 - 6.5-10.8 QB ALA 16 - HB2 LYS 36 far 0 73 0 - 6.6-28.2 HG2 LYS 95 - HB3 LYS 24 far 0 94 0 - 6.7-33.3 HG2 LYS 36 - HB3 LYS 26 far 0 96 0 - 6.8-22.9 QB ALA 12 - HB3 LYS 24 far 0 74 0 - 6.9-17.9 QB ALA 16 - HB3 LYS 26 far 0 67 0 - 7.0-20.5 HG3 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 100 0 - 7.4-28.2 HG2 LYS 36 - HB3 LYS 31 far 0 98 0 - 7.5-13.3 QB ALA 28 - HB2 LYS 36 far 0 100 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.2-32.7 QB ALA 12 - HB3 LYS 26 far 0 74 0 - 8.2-20.8 QB ALA 108 - HB3 LYS 31 far 0 97 0 - 8.5-26.6 QB ALA 110 - HB3 LYS 24 far 0 96 0 - 9.1-35.2 HB3 LEU 100 - HB3 LYS 26 far 0 96 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 90 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 97 0 - 9.7-39.7 QB ALA 12 - HB2 LYS 36 far 0 81 0 - 9.8-26.6 QB ALA 109 - HB3 LYS 31 far 0 95 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 989 from cnoeabs.peaks (1.47, 1.82, 32.86 ppm; 3.66 A): 5 out of 28 assignments used, quality = 1.00: * HG3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 74 74 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 71 71 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 66 66 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 36 OK 23 63 40 93 4.1-11.8 3.2/10898=27, ~10810=27...(28) HG2 LYS 31 - HB3 LYS 26 poor 20 64 35 88 3.6-16.1 1.8/835=4, 284=4...(109) HG3 LYS 24 - HB3 LYS 19 poor 15 75 30 67 2.0-15.5 824=4, 823/1.8=4...(23) HG13 ILE 32 - HB3 LYS 26 poor 14 57 25 - 2.3-13.7 HG13 ILE 32 - HB3 LYS 31 far 9 59 15 - 3.7-7.2 HG3 LYS 19 - HB3 LYS 24 far 7 69 10 - 3.9-16.0 HG3 LYS 36 - HB3 LYS 24 far 5 97 5 - 3.5-27.2 HG3 LYS 36 - HB3 LYS 26 far 5 96 5 - 5.1-23.3 QB ALA 52 - HB3 LYS 24 far 4 89 5 - 5.0-22.6 HG3 LYS 24 - HB3 LYS 31 far 4 76 5 - 5.0-17.6 HG3 LYS 24 - HB3 LYS 26 far 4 74 5 - 3.6-11.7 HG3 LYS 19 - HB3 LYS 31 far 4 71 5 - 4.5-27.7 HG2 LYS 31 - HB2 LYS 36 far 4 71 5 - 3.7-16.4 HG2 LYS 31 - HB3 LYS 19 far 3 66 5 - 4.2-25.3 HG2 LYS 31 - HB3 LYS 24 far 3 65 5 - 4.5-18.4 HG LEU 42 - HB2 LYS 36 far 0 83 0 - 5.3-12.7 HG13 ILE 32 - HB3 LYS 24 far 0 57 0 - 5.3-17.6 HG3 LYS 24 - HB2 LYS 36 far 0 81 0 - 5.5-27.7 HG3 LYS 19 - HB3 LYS 26 far 0 69 0 - 5.6-24.0 HG3 LYS 36 - HB3 LYS 31 far 0 98 0 - 6.0-13.7 QB ALA 52 - HB3 LYS 19 far 0 90 0 - 7.2-28.5 QB ALA 52 - HB3 LYS 26 far 0 88 0 - 7.2-22.7 HG3 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.3-32.7 HG13 ILE 32 - HB3 LYS 19 far 0 58 0 - 8.3-24.4 Violated in 0 structures by 0.00 A. Peak 990 from cnoeabs.peaks (1.67, 1.82, 32.86 ppm; 5.38 A): 18 out of 55 assignments used, quality = 1.00: * HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.1-4.0 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.2-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.5-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.2-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.0-4.1 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 75 75 100 100 2.1-3.7 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 75 75 100 100 2.2-3.7 3.9=100 HD2 LYS 26 + HB3 LYS 31 OK 51 94 55 100 2.9-17.3 2.9/629=9, 6335/6332=7...(176) HD3 LYS 26 + HB3 LYS 31 OK 45 92 50 99 3.4-17.4 2.9/629=9, 6335/6332=8...(158) HD3 LYS 31 + HB3 LYS 26 OK 41 92 45 100 4.5-14.4 10771/10769=20...(240) HD2 LYS 31 + HB3 LYS 26 OK 37 93 40 100 4.2-14.4 10771/10769=24...(237) HD2 LYS 24 + HB3 LYS 19 OK 32 94 35 98 2.0-16.0 3.0/526=4, ~823=4...(181) HD3 LYS 24 + HB3 LYS 19 OK 31 93 35 96 3.5-15.3 3.0/526=4, ~823=4...(146) HD3 LYS 26 + HB2 LYS 36 OK 26 96 35 77 4.4-27.1 ~1004=8, ~1004=8...(31) HD2 LYS 26 + HB2 LYS 36 OK 23 97 30 77 5.1-27.9 ~1004=8, ~1004=8...(33) HD2 LYS 36 - HB3 LYS 26 poor 19 96 20 - 6.5-21.1 HD3 LYS 19 - HB3 LYS 24 poor 19 74 25 - 2.0-16.3 HD2 LYS 19 - HB3 LYS 24 poor 18 74 35 69 3.7-15.7 5.2/596=2, 827/2.9=2...(27) HD2 LYS 36 - HB3 LYS 31 far 10 98 10 - 6.7-11.9 HD3 LYS 31 - HB2 LYS 36 far 10 97 10 - 5.9-14.3 HD2 LYS 36 - HB3 LYS 24 far 10 97 10 - 4.2-24.7 HD3 LYS 36 - HB3 LYS 24 far 10 97 10 - 5.5-25.2 HD3 LYS 24 - HB3 LYS 26 far 9 92 10 - 3.7-12.3 HD2 LYS 26 - HB3 LYS 24 far 9 92 10 - 6.4-12.7 HD2 LYS 19 - HB3 LYS 31 far 8 76 10 - 3.6-27.6 HB2 LEU 69 - HB2 LYS 36 far 5 100 5 - 6.5-14.5 HD2 LYS 31 - HB2 LYS 36 far 5 98 5 - 5.0-15.5 HD2 LYS 24 - HB2 LYS 36 far 5 98 5 - 5.7-27.6 HD3 LYS 36 - HB3 LYS 26 far 5 96 5 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 5 94 5 - 6.0-24.2 HD3 LYS 24 - HB3 LYS 31 far 5 94 5 - 6.8-18.8 HD3 LYS 31 - HB3 LYS 19 far 5 93 5 - 5.9-24.7 HD2 LYS 31 - HB3 LYS 24 far 5 93 5 - 5.4-17.9 HD2 LYS 24 - HB3 LYS 26 far 5 93 5 - 5.1-12.6 HD2 LYS 26 - HB3 LYS 19 far 5 93 5 - 6.5-21.2 HD3 LYS 31 - HB3 LYS 24 far 5 92 5 - 6.4-19.4 HD3 LYS 26 - HB3 LYS 19 far 5 91 5 - 6.5-21.5 HB2 LEU 98 - HB3 LYS 24 far 4 80 5 - 5.2-34.1 HD3 LYS 19 - HB3 LYS 31 far 4 76 5 - 4.1-28.8 HD3 LYS 24 - HB2 LYS 36 far 0 97 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 74 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 98 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 74 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 95 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 91 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 90 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 80 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 84 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 65 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 96 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 98 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 94 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 991 from cnoeabs.peaks (1.67, 1.82, 32.86 ppm; 5.38 A): 18 out of 55 assignments used, quality = 1.00: HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.2 3.5=100 * HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.1-4.0 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.2-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.5-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.2-4.0 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.0-4.1 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 75 75 100 100 2.1-3.7 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 75 75 100 100 2.2-3.7 3.9=100 HD2 LYS 26 + HB3 LYS 31 OK 51 94 55 100 2.9-17.3 2.9/629=9, 6335/6332=7...(176) HD3 LYS 26 + HB3 LYS 31 OK 45 92 50 99 3.4-17.4 2.9/629=9, 6335/6332=8...(158) HD3 LYS 31 + HB3 LYS 26 OK 41 92 45 100 4.5-14.4 10771/10769=20...(240) HD2 LYS 31 + HB3 LYS 26 OK 37 93 40 100 4.2-14.4 10771/10769=24...(237) HD2 LYS 24 + HB3 LYS 19 OK 32 94 35 98 2.0-16.0 3.0/526=4, ~823=4...(181) HD3 LYS 24 + HB3 LYS 19 OK 31 93 35 96 3.5-15.3 3.0/526=4, ~823=4...(146) HD3 LYS 26 + HB2 LYS 36 OK 26 96 35 77 4.4-27.1 ~1004=8, ~1004=8...(31) HD2 LYS 26 + HB2 LYS 36 OK 23 97 30 77 5.1-27.9 ~1004=8, ~1004=8...(33) HD2 LYS 36 - HB3 LYS 26 poor 19 96 20 - 6.5-21.1 HD3 LYS 19 - HB3 LYS 24 poor 19 74 25 - 2.0-16.3 HD2 LYS 19 - HB3 LYS 24 poor 18 74 35 69 3.7-15.7 5.2/596=2, 827/2.9=2...(27) HD2 LYS 36 - HB3 LYS 31 far 10 98 10 - 6.7-11.9 HD3 LYS 31 - HB2 LYS 36 far 10 97 10 - 5.9-14.3 HD2 LYS 36 - HB3 LYS 24 far 10 97 10 - 4.2-24.7 HD3 LYS 36 - HB3 LYS 24 far 10 97 10 - 5.5-25.2 HD3 LYS 24 - HB3 LYS 26 far 9 92 10 - 3.7-12.3 HD2 LYS 26 - HB3 LYS 24 far 9 92 10 - 6.4-12.7 HD2 LYS 19 - HB3 LYS 31 far 8 76 10 - 3.6-27.6 HB2 LEU 69 - HB2 LYS 36 far 5 100 5 - 6.5-14.5 HD2 LYS 31 - HB2 LYS 36 far 5 98 5 - 5.0-15.5 HD2 LYS 24 - HB2 LYS 36 far 5 98 5 - 5.7-27.6 HD3 LYS 36 - HB3 LYS 26 far 5 96 5 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 5 94 5 - 6.0-24.2 HD3 LYS 24 - HB3 LYS 31 far 5 94 5 - 6.8-18.8 HD3 LYS 31 - HB3 LYS 19 far 5 93 5 - 5.9-24.7 HD2 LYS 31 - HB3 LYS 24 far 5 93 5 - 5.4-17.9 HD2 LYS 24 - HB3 LYS 26 far 5 93 5 - 5.1-12.6 HD2 LYS 26 - HB3 LYS 19 far 5 93 5 - 6.5-21.2 HD3 LYS 31 - HB3 LYS 24 far 5 92 5 - 6.4-19.4 HD3 LYS 26 - HB3 LYS 19 far 5 91 5 - 6.5-21.5 HB2 LEU 98 - HB3 LYS 24 far 4 80 5 - 5.2-34.1 HD3 LYS 19 - HB3 LYS 31 far 4 76 5 - 4.1-28.8 HD3 LYS 24 - HB2 LYS 36 far 0 97 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 74 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 98 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 74 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 95 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 91 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 90 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 80 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 84 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 65 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 96 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 98 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 94 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 992 from cnoeabs.peaks (2.96, 1.82, 32.86 ppm; 6.80 A): 20 out of 54 assignments used, quality = 1.00: * HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 HE2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.1-4.9 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.0-5.1 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-5.2 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.8-5.3 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.3-4.8 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.0-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 3.3-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 31 OK 56 94 60 99 2.2-19.2 6337/6332=10, 3.6/629=10...(165) HE3 LYS 26 + HB3 LYS 31 OK 56 94 60 99 3.3-19.0 6337/6332=10, 3.6/629=10...(160) HE2 LYS 31 + HB3 LYS 26 OK 54 94 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE2 LYS 26 + HB2 LYS 36 OK 49 97 55 91 2.4-29.4 1004/1.8=17, ~1004=13...(60) HE3 LYS 24 + HB3 LYS 19 OK 47 97 50 97 3.9-16.9 1228/1.8=6, 4.0/526=5...(161) HE3 LYS 31 + HB3 LYS 26 OK 44 92 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 26 + HB2 LYS 36 OK 43 97 50 88 2.6-28.9 1004/1.8=14, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 33 97 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 28 96 35 83 3.5-17.2 532/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 26 94 35 79 4.6-17.1 532/2.9=3, 6.4/596=2...(92) HE2 LYS 24 - HB3 LYS 31 poor 20 98 20 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 19 97 55 36 4.9-14.1 6337/6332=4...(3) HE3 LYS 24 - HB3 LYS 31 far 15 97 15 - 6.7-20.0 HE2 LYS 24 - HB3 LYS 26 far 14 96 15 - 5.2-13.2 HE3 LYS 19 - HB3 LYS 31 far 14 96 15 - 6.2-27.1 HE3 LYS 24 - HB3 LYS 26 far 14 96 15 - 6.0-13.6 HE2 LYS 36 - HB3 LYS 31 poor 14 98 35 40 5.3-14.3 10813/10751=3...(14) HE2 LYS 36 - HB3 LYS 24 far 10 97 10 - 3.5-25.9 HE2 LYS 31 - HB3 LYS 19 far 10 95 10 - 6.5-26.1 HE2 LYS 26 - HB3 LYS 19 far 9 93 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 9 93 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 9 93 10 - 7.6-23.7 HG CYS 73 - HB2 LYS 36 far 8 81 10 - 7.8-14.8 HB2 CYS 45 - HB2 LYS 36 lone 8 92 55 16 1.8-11.9 10889/10749=5...(6) HE2 LYS 26 - HB3 LYS 24 lone 7 92 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 7 92 35 22 4.8-12.9 9587/985=2, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 7 96 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 7 96 25 26 4.2-22.7 10721/10720=3, 10813/10751=2 HE2 LYS 24 - HB2 LYS 36 far 5 100 5 - 6.1-29.9 HE3 LYS 24 - HB2 LYS 36 far 5 100 5 - 7.5-29.6 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.8-26.9 HE3 LYS 36 - HB3 LYS 24 far 5 96 5 - 5.2-26.7 HE2 LYS 31 - HB2 LYS 36 lone 5 99 40 12 6.2-12.8 10721/10898=5, 10804/929=3 HE2 LYS 31 - HB3 LYS 24 far 5 94 5 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 5 94 5 - 8.0-25.2 HE3 LYS 31 - HB3 LYS 24 far 5 92 5 - 7.6-18.3 HB2 CYS 45 - HB3 LYS 26 far 4 86 5 - 7.5-24.2 HE3 LYS 31 - HB2 LYS 36 lone 3 97 25 11 5.6-14.2 10766/10898=4, 9008/929=3 HB3 ASN 116 - HB3 LYS 24 far 0 67 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 82 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 87 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 97 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 87 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 993 from cnoeabs.peaks (2.96, 1.82, 32.86 ppm; 6.80 A): 20 out of 54 assignments used, quality = 1.00: * HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HE2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-5.2 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.3-4.8 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.8-5.3 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.0-5.0 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.0-5.1 5.1=100 HE3 LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 3.3-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 31 OK 57 96 60 99 2.2-19.2 6337/6332=10, 3.6/629=10...(165) HE3 LYS 26 + HB3 LYS 31 OK 57 96 60 99 3.3-19.0 6337/6332=10, 3.6/629=10...(160) HE2 LYS 31 + HB3 LYS 26 OK 55 96 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE2 LYS 26 + HB2 LYS 36 OK 50 99 55 91 2.4-29.4 1004/1.8=17, ~1004=13...(60) HE3 LYS 24 + HB3 LYS 19 OK 47 97 50 97 3.9-16.9 1228/1.8=6, 4.0/526=5...(161) HE3 LYS 31 + HB3 LYS 26 OK 46 95 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 26 + HB2 LYS 36 OK 44 99 50 88 2.6-28.9 1004/1.8=15, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 33 96 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 28 96 35 83 3.5-17.2 1025/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 27 96 35 79 4.6-17.1 532/2.9=3, 6.4/596=2...(92) HE3 LYS 36 - HB3 LYS 31 poor 19 98 55 36 4.9-14.1 6337/6332=4...(3) HE2 LYS 24 - HB3 LYS 31 poor 19 96 20 - 6.0-19.3 HE3 LYS 24 - HB3 LYS 31 far 15 98 15 - 6.7-20.0 HE3 LYS 19 - HB3 LYS 31 far 15 98 15 - 6.2-27.1 HE3 LYS 24 - HB3 LYS 26 far 14 96 15 - 6.0-13.6 HE2 LYS 24 - HB3 LYS 26 far 14 95 15 - 5.2-13.2 HE2 LYS 36 - HB3 LYS 31 poor 14 97 35 40 5.3-14.3 10813/10751=3...(14) HE2 LYS 31 - HB3 LYS 19 far 10 97 10 - 6.5-26.1 HE2 LYS 36 - HB3 LYS 24 far 10 96 10 - 3.5-25.9 HE2 LYS 26 - HB3 LYS 19 far 10 96 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 10 96 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 10 96 10 - 7.6-23.7 HE2 LYS 26 - HB3 LYS 24 lone 8 95 45 18 5.5-13.1 9587/985=1, ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 7 95 35 22 4.8-12.9 9587/985=2, ~294=1 HB2 CYS 45 - HB2 LYS 36 lone 7 85 55 15 1.8-11.9 10889/10749=4...(6) HG CYS 73 - HB2 LYS 36 far 7 71 10 - 7.8-14.8 HE3 LYS 36 - HB3 LYS 26 poor 7 96 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 6 96 25 26 4.2-22.7 10721/10720=3, 10813/10751=2 HE3 LYS 24 - HB2 LYS 36 far 5 100 5 - 7.5-29.6 HE2 LYS 24 - HB2 LYS 36 far 5 99 5 - 6.1-29.9 HE2 LYS 31 - HB2 LYS 36 lone 5 100 40 12 6.2-12.8 10721/10898=5, 9008/929=3 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.8-26.9 HE3 LYS 36 - HB3 LYS 24 far 5 97 5 - 5.2-26.7 HE2 LYS 31 - HB3 LYS 24 far 5 96 5 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 5 96 5 - 8.0-25.2 HE3 LYS 31 - HB3 LYS 24 far 5 95 5 - 7.6-18.3 HB2 CYS 45 - HB3 LYS 26 far 4 78 5 - 7.5-24.2 HE3 LYS 31 - HB2 LYS 36 lone 3 99 25 12 5.6-14.2 10840/10898=4, 9008/929=3 HB3 ASN 116 - HB3 LYS 24 far 0 57 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 89 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 80 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 97 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 79 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 994 from cnoeabs.peaks (7.97, 1.82, 32.86 ppm; 3.75 A): 2 out of 22 assignments used, quality = 1.00: * H ILE 37 + HB2 LYS 36 OK 100 100 100 100 2.5-4.5 6404=100, 6405/1.8=80...(17) H LYS 36 + HB2 LYS 36 OK 60 60 100 100 2.2-3.7 3.9=86, 6393/1.8=40...(31) H THR 18 - HB3 LYS 31 far 10 96 10 - 4.3-23.7 H THR 18 - HB3 LYS 24 far 5 95 5 - 4.6-14.5 H SER 38 - HB2 LYS 36 far 5 92 5 - 5.2-7.3 H LYS 36 - HB3 LYS 24 far 3 54 5 - 4.7-25.8 H THR 18 - HB3 LYS 19 far 0 96 0 - 5.3-7.3 H ASP 64 - HB3 LYS 26 far 0 94 0 - 5.7-20.9 H THR 18 - HB3 LYS 26 far 0 95 0 - 6.1-21.5 H THR 18 - HB2 LYS 36 far 0 99 0 - 6.1-34.9 H ASP 64 - HB3 LYS 24 far 0 94 0 - 6.2-23.3 H ILE 37 - HB3 LYS 24 far 0 97 0 - 6.2-25.4 H SER 51 - HB3 LYS 26 far 0 82 0 - 6.3-27.3 H SER 51 - HB3 LYS 19 far 0 83 0 - 6.6-37.0 H LYS 36 - HB3 LYS 31 far 0 56 0 - 7.2-13.6 H LYS 36 - HB3 LYS 26 far 0 54 0 - 7.4-22.8 H SER 51 - HB3 LYS 24 far 0 82 0 - 7.9-28.8 H SER 38 - HB3 LYS 24 far 0 86 0 - 8.0-25.8 H ILE 37 - HB3 LYS 26 far 0 96 0 - 9.0-22.9 H ILE 37 - HB3 LYS 31 far 0 98 0 - 9.1-14.5 H SER 38 - HB3 LYS 19 far 0 87 0 - 9.2-33.7 H ASP 64 - HB3 LYS 31 far 0 95 0 - 9.6-20.7 Violated in 0 structures by 0.00 A. Peak 995 from cnoeabs.peaks (8.00, 1.88, 32.86 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.4-3.7 6393=100, 6392/1.8=81...(27) H ILE 37 + HB3 LYS 36 OK 55 60 100 92 3.1-4.4 6405=43, 4.4/6393=36...(12) H SER 38 - HB3 LYS 36 far 5 93 5 - 4.7-7.3 H THR 18 - HB3 LYS 36 far 0 76 0 - 5.0-33.7 Violated in 4 structures by 0.01 A. Peak 996 from cnoeabs.peaks (4.27, 1.88, 32.86 ppm; 3.30 A): 1 out of 11 assignments used, quality = 1.00: * HA LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 HA ALA 21 - HB3 LYS 36 far 5 92 5 - 3.1-29.6 HA THR 18 - HB3 LYS 36 far 4 89 5 - 4.5-35.2 HA THR 25 - HB3 LYS 36 far 0 90 0 - 5.0-24.8 HA LEU 22 - HB3 LYS 36 far 0 99 0 - 6.1-30.7 HA LYS 19 - HB3 LYS 36 far 0 99 0 - 6.2-34.1 HA LYS 31 - HB3 LYS 36 far 0 100 0 - 6.3-14.1 HA ARG 23 - HB3 LYS 36 far 0 97 0 - 6.8-27.3 HA LYS 26 - HB3 LYS 36 far 0 99 0 - 6.8-24.0 HA ALA 16 - HB3 LYS 36 far 0 100 0 - 8.9-34.0 HA ALA 15 - HB3 LYS 36 far 0 97 0 - 9.7-30.4 Violated in 0 structures by 0.00 A. Peak 997 from cnoeabs.peaks (1.82, 1.88, 32.86 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 32 - HB3 LYS 36 poor 15 100 25 61 1.6-9.3 2.1/10810=18, ~10898=9...(15) HB3 LYS 24 - HB3 LYS 36 far 5 100 5 - 2.3-27.7 HB3 ARG 23 - HB3 LYS 36 far 0 99 0 - 5.1-25.6 HB3 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.4-24.6 HB3 LYS 31 - HB3 LYS 36 far 0 100 0 - 6.8-15.5 HB3 LYS 19 - HB3 LYS 36 far 0 100 0 - 8.3-33.8 Violated in 0 structures by 0.00 A. Peak 998 from cnoeabs.peaks (1.88, 1.88, 32.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 Peak 999 from cnoeabs.peaks (1.38, 1.88, 32.86 ppm; 3.46 A): 1 out of 11 assignments used, quality = 1.00: * HG2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 LYS 26 - HB3 LYS 36 far 15 100 15 - 4.5-26.3 HG2 LYS 24 - HB3 LYS 36 far 5 100 5 - 4.8-28.3 HB2 LEU 42 - HB3 LYS 36 far 0 100 0 - 5.0-11.2 HG3 LYS 31 - HB3 LYS 36 far 0 97 0 - 5.0-15.8 QB ALA 29 - HB3 LYS 36 far 0 100 0 - 5.1-12.6 QB ALA 16 - HB3 LYS 36 far 0 73 0 - 6.4-27.2 QB ALA 28 - HB3 LYS 36 far 0 100 0 - 7.4-16.6 HG2 LYS 19 - HB3 LYS 36 far 0 90 0 - 8.0-35.6 QB ALA 15 - HB3 LYS 36 far 0 100 0 - 8.5-27.0 QB ALA 12 - HB3 LYS 36 far 0 81 0 - 8.7-25.7 Violated in 0 structures by 0.00 A. Peak 1000 from cnoeabs.peaks (1.47, 1.88, 32.86 ppm; 3.49 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG13 ILE 32 - HB3 LYS 36 poor 19 63 30 - 4.1-10.9 HG3 LYS 24 - HB3 LYS 36 far 4 81 5 - 4.5-26.6 HG2 LYS 31 - HB3 LYS 36 far 4 71 5 - 5.0-15.9 HG LEU 42 - HB3 LYS 36 far 0 83 0 - 5.4-13.3 HG3 LYS 19 - HB3 LYS 36 far 0 76 0 - 8.4-35.3 Violated in 0 structures by 0.00 A. Peak 1001 from cnoeabs.peaks (1.67, 1.88, 32.86 ppm; 4.79 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 26 - HB3 LYS 36 poor 19 96 20 - 5.3-26.4 HD2 LYS 26 - HB3 LYS 36 far 15 97 15 - 5.4-27.2 HB2 LEU 69 - HB3 LYS 36 far 5 100 5 - 5.3-14.3 HD2 LYS 24 - HB3 LYS 36 far 5 98 5 - 4.4-26.5 HD2 LYS 31 - HB3 LYS 36 far 5 98 5 - 5.7-14.8 HD3 LYS 24 - HB3 LYS 36 far 5 97 5 - 5.8-27.0 HD3 LYS 31 - HB3 LYS 36 far 0 97 0 - 6.9-14.6 HG LEU 43 - HB3 LYS 36 far 0 65 0 - 7.7-14.2 HD2 LYS 39 - HB3 LYS 36 far 0 99 0 - 9.2-16.2 Violated in 0 structures by 0.00 A. Peak 1002 from cnoeabs.peaks (1.67, 1.88, 32.86 ppm; 4.79 A): 2 out of 11 assignments used, quality = 1.00: HD2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.0-4.0 3.5=100 * HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 26 - HB3 LYS 36 poor 19 96 20 - 5.3-26.4 HD2 LYS 26 - HB3 LYS 36 far 15 97 15 - 5.4-27.2 HB2 LEU 69 - HB3 LYS 36 far 5 100 5 - 5.3-14.3 HD2 LYS 24 - HB3 LYS 36 far 5 98 5 - 4.4-26.5 HD2 LYS 31 - HB3 LYS 36 far 5 98 5 - 5.7-14.8 HD3 LYS 24 - HB3 LYS 36 far 5 97 5 - 5.8-27.0 HD3 LYS 31 - HB3 LYS 36 far 0 97 0 - 6.9-14.6 HG LEU 43 - HB3 LYS 36 far 0 65 0 - 7.7-14.2 HD2 LYS 39 - HB3 LYS 36 far 0 99 0 - 9.2-16.2 Violated in 0 structures by 0.00 A. Peak 1003 from cnoeabs.peaks (2.96, 1.88, 32.86 ppm; 6.23 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-4.8 4.9=100 HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 1.9-4.6 4.9=100 HE2 LYS 26 + HB3 LYS 36 OK 53 97 60 90 2.9-28.6 1053=15, 1.8/1053=13...(87) HE3 LYS 26 + HB3 LYS 36 OK 43 97 50 88 3.1-28.2 1.8/1064=14, 1053=14...(68) HE2 LYS 31 - HB3 LYS 36 poor 20 99 20 - 5.5-13.6 HE3 LYS 31 - HB3 LYS 36 far 15 97 15 - 5.0-14.6 HE2 LYS 24 - HB3 LYS 36 far 10 100 10 - 4.5-28.8 HB2 CYS 45 - HB3 LYS 36 lone 8 92 50 17 2.9-10.7 10889/10856=9...(4) HE3 LYS 24 - HB3 LYS 36 far 5 100 5 - 6.1-28.5 HG CYS 73 - HB3 LYS 36 far 4 81 5 - 7.6-14.5 Violated in 0 structures by 0.00 A. Peak 1004 from cnoeabs.peaks (2.96, 1.88, 32.86 ppm; 6.23 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 1.9-4.6 4.9=100 HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-4.8 4.9=100 HE2 LYS 26 + HB3 LYS 36 OK 54 99 60 90 2.9-28.6 1053=16, 1.8/1053=13...(87) HE3 LYS 26 + HB3 LYS 36 OK 44 99 50 88 3.1-28.2 1053=14, 1.8/1064=14...(68) HE2 LYS 31 - HB3 LYS 36 poor 20 100 20 - 5.5-13.6 HE3 LYS 31 - HB3 LYS 36 far 15 99 15 - 5.0-14.6 HE2 LYS 24 - HB3 LYS 36 far 10 99 10 - 4.5-28.8 HB2 CYS 45 - HB3 LYS 36 lone 7 85 50 16 2.9-10.7 10889/10856=8...(4) HE3 LYS 24 - HB3 LYS 36 far 5 100 5 - 6.1-28.5 HG CYS 73 - HB3 LYS 36 far 4 71 5 - 7.6-14.5 Violated in 0 structures by 0.00 A. Peak 1005 from cnoeabs.peaks (7.97, 1.88, 32.86 ppm; 3.71 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 37 + HB3 LYS 36 OK 100 100 100 100 3.1-4.4 6405=100, 6404/1.8=73...(12) H LYS 36 + HB3 LYS 36 OK 60 60 100 99 2.4-3.7 3.9=83, 6392/1.8=41...(27) H SER 38 - HB3 LYS 36 poor 14 92 25 61 4.7-7.3 4.6/6405=38...(8) H THR 18 - HB3 LYS 36 far 5 99 5 - 5.0-33.7 Violated in 0 structures by 0.00 A. Peak 1006 from cnoeabs.peaks (8.00, 1.38, 24.92 ppm; 4.24 A): 3 out of 21 assignments used, quality = 1.00: * H LYS 36 + HG2 LYS 36 OK 100 100 100 100 1.8-4.3 6394=100, 6395/1.8=91...(49) H SER 38 + HG2 LYS 36 OK 63 93 85 79 4.3-8.7 4.6/6406=44...(11) H ILE 37 + HG2 LYS 36 OK 59 60 100 98 1.9-4.9 4.4/6394=51, 6406=46...(17) H THR 18 - HG2 LYS 19 poor 19 30 85 76 3.1-6.6 6144/4.9=37, 10683=30...(7) H THR 18 - HG3 LYS 31 far 5 54 10 - 3.1-23.6 H THR 18 - HG2 LYS 36 far 4 76 5 - 3.4-33.1 H LYS 36 - HG3 LYS 26 far 3 60 5 - 4.9-24.4 H SER 51 - HG3 LYS 26 far 3 53 5 - 3.3-27.1 H THR 18 - HG2 LYS 24 far 3 51 5 - 5.7-17.1 H LYS 36 - HG3 LYS 31 far 0 81 0 - 6.1-13.9 H VAL 57 - HG2 LYS 19 far 0 43 0 - 6.1-40.7 H SER 51 - HG2 LYS 19 far 0 42 0 - 6.7-39.1 H ILE 37 - HG3 LYS 26 far 0 29 0 - 7.0-24.5 H LYS 36 - HG2 LYS 24 far 0 77 0 - 7.1-26.6 H ILE 37 - HG3 LYS 31 far 0 42 0 - 7.7-14.8 H SER 38 - HG3 LYS 26 far 0 51 0 - 8.4-25.3 H THR 18 - HG3 LYS 26 far 0 39 0 - 8.5-21.8 H ILE 37 - HG2 LYS 24 far 0 39 0 - 8.6-26.1 H SER 38 - HG2 LYS 24 far 0 66 0 - 9.2-26.6 H SER 51 - HG2 LYS 24 far 0 69 0 - 9.3-29.8 H SER 38 - HG2 LYS 19 far 0 40 0 - 9.8-35.5 Violated in 0 structures by 0.00 A. Peak 1007 from cnoeabs.peaks (4.27, 1.38, 24.92 ppm; 4.51 A): 10 out of 73 assignments used, quality = 1.00: * HA LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.3-3.8 4.1=100 HA LYS 31 + HG3 LYS 31 OK 81 81 100 100 2.0-4.2 3.8=100 HA LYS 26 + HG3 LYS 26 OK 58 58 100 100 2.6-3.9 4.0=100 HA ARG 23 + HG2 LYS 24 OK 48 70 75 91 4.1-6.9 424/6222=79...(17) HA LYS 19 + HG2 LYS 19 OK 45 45 100 100 2.3-3.7 4.2=100 HA THR 25 + HG3 LYS 26 OK 38 49 80 97 3.0-7.7 582/6253=64, 11150=30...(23) HA THR 25 + HG2 LYS 24 OK 35 63 55 99 3.0-6.9 3.0/6234=59...(28) HA THR 18 + HG2 LYS 19 OK 30 37 85 96 4.0-7.3 3.6/6151=49...(20) HA LYS 19 + HG2 LYS 24 OK 25 73 40 85 2.2-15.3 822/1.8=7, 793=6...(59) HA LEU 22 + HG2 LYS 24 OK 21 74 55 50 2.7-8.4 6212/6222=17, 2.9/1309=9...(11) HA LYS 26 - HG3 LYS 31 poor 20 79 25 - 2.3-14.5 HA ARG 23 - HG3 LYS 26 poor 19 54 35 - 2.4-10.6 HA THR 25 - HG3 LYS 31 poor 13 67 20 - 3.6-15.1 HA ALA 15 - HG2 LYS 19 poor 13 44 30 - 2.8-13.4 HA LYS 31 - HG3 LYS 26 poor 12 60 20 - 4.5-16.0 HA ARG 23 - HG3 LYS 31 far 11 74 15 - 5.1-16.2 HA ALA 16 - HG3 LYS 31 far 8 81 10 - 5.0-27.2 HA LYS 19 - HG3 LYS 31 far 8 78 10 - 5.5-23.5 HA THR 18 - HG3 LYS 31 far 7 66 10 - 3.2-23.1 HA ALA 12 - HG2 LYS 19 far 7 44 15 - 5.5-18.1 HA LYS 36 - HG3 LYS 26 far 6 60 10 - 4.9-27.4 HA ALA 16 - HG2 LYS 19 far 5 48 10 - 4.7-10.8 HA ALA 21 - HG2 LYS 36 far 5 92 5 - 4.7-28.9 HA THR 18 - HG2 LYS 36 far 4 89 5 - 4.1-34.5 HA LYS 36 - HG3 LYS 31 far 4 81 5 - 5.9-16.7 HA ALA 108 - HG2 LYS 24 far 4 76 5 - 5.9-39.9 HA ALA 15 - HG3 LYS 31 far 4 76 5 - 5.0-26.0 HA LYS 26 - HG2 LYS 24 far 4 75 5 - 4.2-10.1 HA THR 18 - HG2 LYS 24 far 3 62 5 - 3.6-15.8 HA GLN 61 - HG3 LYS 26 far 3 58 5 - 2.5-25.1 HA LYS 31 - HG2 LYS 19 far 2 47 5 - 4.9-26.6 HA ALA 21 - HG2 LYS 24 lone 1 65 40 6 2.3-10.7 3.6/842=4 HA ALA 109 - HG3 LYS 26 far 0 60 0 - 6.0-34.4 HA LYS 26 - HG2 LYS 19 far 0 46 0 - 6.3-22.3 HA ALA 15 - HG2 LYS 24 far 0 71 0 - 6.3-22.5 HA LEU 22 - HG2 LYS 19 far 0 46 0 - 6.4-12.3 HA ARG 23 - HG2 LYS 19 far 0 43 0 - 6.4-16.2 HA LYS 19 - HG2 LYS 36 far 0 99 0 - 6.5-33.1 HA LEU 22 - HG3 LYS 26 far 0 58 0 - 6.5-13.0 HA THR 25 - HG2 LYS 19 far 0 38 0 - 6.5-20.7 HA ALA 16 - HG2 LYS 36 far 0 100 0 - 6.5-33.7 HA ALA 110 - HG2 LYS 19 far 0 44 0 - 6.6-54.1 HA LYS 31 - HG2 LYS 24 far 0 76 0 - 6.7-19.6 HA GLN 61 - HG2 LYS 24 far 0 75 0 - 6.9-23.9 HA LYS 36 - HG2 LYS 24 far 0 77 0 - 7.0-29.4 HA ALA 109 - HG2 LYS 24 far 0 76 0 - 7.0-42.1 HA ALA 21 - HG2 LYS 19 far 0 39 0 - 7.0-10.1 HA LYS 31 - HG2 LYS 36 far 0 100 0 - 7.1-11.7 HA ALA 12 - HG3 LYS 31 far 0 76 0 - 7.2-27.9 HA THR 25 - HG2 LYS 36 far 0 90 0 - 7.3-23.3 HA LYS 26 - HG2 LYS 36 far 0 99 0 - 7.4-22.3 HA LYS 36 - HG2 LYS 19 far 0 48 0 - 7.5-37.3 HA ALA 108 - HG3 LYS 26 far 0 60 0 - 7.5-32.5 HA GLN 61 - HG3 LYS 31 far 0 79 0 - 7.6-22.6 HA ALA 15 - HG3 LYS 26 far 0 55 0 - 7.7-25.9 HA ALA 110 - HG3 LYS 26 far 0 56 0 - 7.7-35.7 HA LEU 22 - HG3 LYS 31 far 0 78 0 - 7.8-18.5 HA ALA 21 - HG3 LYS 26 far 0 50 0 - 7.8-15.9 HA ALA 108 - HG3 LYS 31 far 0 81 0 - 7.9-31.1 HA ALA 109 - HG2 LYS 19 far 0 47 0 - 7.9-53.1 HA LYS 19 - HG3 LYS 26 far 0 57 0 - 8.0-21.2 HA ALA 15 - HG2 LYS 36 far 0 97 0 - 8.0-30.5 HA ALA 16 - HG2 LYS 24 far 0 77 0 - 8.0-20.4 HA ALA 12 - HG2 LYS 24 far 0 71 0 - 8.0-22.3 HA ARG 23 - HG2 LYS 36 far 0 97 0 - 8.2-26.0 HA SER 74 - HG3 LYS 31 far 0 67 0 - 8.3-24.6 HA ALA 21 - HG3 LYS 31 far 0 69 0 - 8.3-20.2 HA LEU 22 - HG2 LYS 36 far 0 99 0 - 9.0-29.7 HA GLN 61 - HG2 LYS 19 far 0 46 0 - 9.1-33.2 HA GLN 61 - HG2 LYS 36 far 0 99 0 - 9.6-21.9 HA ALA 108 - HG2 LYS 19 far 0 47 0 - 9.6-51.1 HA ALA 110 - HG2 LYS 24 far 0 72 0 - 9.8-43.7 HA ALA 16 - HG3 LYS 26 far 0 60 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 1008 from cnoeabs.peaks (1.82, 1.38, 24.92 ppm; 4.14 A): 8 out of 38 assignments used, quality = 1.00: * HB2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 31 OK 80 80 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 76 76 100 100 2.3-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 47 47 100 100 2.5-3.0 3.0=100 HB ILE 32 + HG2 LYS 36 OK 35 100 35 100 3.5-7.7 2.1/10900=42, ~10901=38...(51) HB3 LYS 26 + HG3 LYS 31 OK 27 81 35 96 3.3-14.9 620=6, 989/1.8=6, ~823=5...(146) HB3 LYS 31 + HG3 LYS 26 OK 22 59 40 95 2.2-16.3 1.8/804=8, 988=7...(121) HB3 LYS 19 - HG2 LYS 24 poor 19 75 25 - 2.0-15.9 HB3 ARG 23 - HG3 LYS 26 poor 14 58 35 67 2.7-12.0 3.7/10729=41, 442/6253=5...(18) HB ILE 32 - HG3 LYS 26 poor 12 60 20 - 3.9-17.4 HB3 ARG 23 - HG3 LYS 31 far 12 79 15 - 4.3-17.8 HB3 LYS 24 - HG2 LYS 19 poor 12 47 25 - 3.4-16.0 HB3 ARG 23 - HG2 LYS 24 far 11 75 15 - 5.3-7.8 HB ILE 32 - HG3 LYS 31 far 8 81 10 - 4.7-8.2 HB2 LYS 36 - HG3 LYS 26 far 6 60 10 - 4.6-27.1 HB3 LYS 24 - HG2 LYS 36 far 5 100 5 - 4.9-26.5 HB2 LYS 36 - HG3 LYS 31 far 4 81 5 - 3.8-16.2 HB3 LYS 24 - HG3 LYS 31 far 4 80 5 - 4.8-17.7 HB3 LYS 19 - HG3 LYS 31 far 4 80 5 - 3.7-24.3 HB3 LYS 26 - HG2 LYS 24 far 4 76 5 - 2.9-11.3 HB2 LYS 36 - HG2 LYS 24 far 4 77 5 - 5.6-29.5 HB3 LYS 31 - HG2 LYS 24 far 4 75 5 - 5.1-19.1 HB3 LYS 24 - HG3 LYS 26 far 3 60 5 - 5.4-11.5 HB3 LYS 31 - HG2 LYS 19 far 2 47 5 - 4.7-26.5 HB3 LYS 26 - HG2 LYS 19 far 0 47 0 - 6.0-24.6 HB3 ARG 23 - HG2 LYS 36 far 0 99 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 100 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 59 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 77 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 100 0 - 7.5-13.3 HB3 LYS 19 - HG2 LYS 36 far 0 100 0 - 8.2-32.7 HB3 ARG 23 - HG2 LYS 19 far 0 46 0 - 8.4-16.3 HB2 CYS 79 - HG2 LYS 36 far 0 78 0 - 8.7-18.1 HB2 CYS 79 - HG2 LYS 19 far 0 31 0 - 8.9-38.4 HB3 LEU 122 - HG2 LYS 24 far 0 51 0 - 9.0-29.6 HB2 LYS 36 - HG2 LYS 19 far 0 48 0 - 9.5-36.6 HB3 LEU 103 - HG3 LYS 26 far 0 37 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 1009 from cnoeabs.peaks (1.88, 1.38, 24.92 ppm; 3.83 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LYS 36 - HG3 LYS 26 far 9 60 15 - 4.5-26.3 HB3 LYS 36 - HG3 LYS 31 far 4 81 5 - 5.0-15.8 HB3 LYS 36 - HG2 LYS 24 far 4 77 5 - 4.8-28.3 HB2 GLU 40 - HG2 LYS 24 far 3 65 5 - 3.3-31.8 HB3 LEU 48 - HG3 LYS 26 far 0 55 0 - 5.5-26.8 HB3 LEU 48 - HG2 LYS 19 far 0 44 0 - 6.9-36.2 HB2 GLU 40 - HG2 LYS 36 far 0 92 0 - 7.0-15.5 HB3 LEU 48 - HG2 LYS 24 far 0 71 0 - 7.0-28.9 HB3 LEU 48 - HG3 LYS 31 far 0 76 0 - 7.9-24.7 HB3 LYS 36 - HG2 LYS 19 far 0 48 0 - 8.0-35.6 HB2 GLU 40 - HG3 LYS 26 far 0 50 0 - 8.4-31.0 HB3 LEU 48 - HG2 LYS 36 far 0 97 0 - 8.8-18.6 HB2 GLU 40 - HG3 LYS 31 far 0 69 0 - 9.1-25.2 HB3 LEU 119 - HG2 LYS 24 far 0 69 0 - 9.9-32.0 Violated in 0 structures by 0.00 A. Peak 1010 from cnoeabs.peaks (1.38, 1.38, 24.92 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 77 77 - 100 HG3 LYS 31 + HG3 LYS 31 OK 76 76 - 100 HG3 LYS 26 + HG3 LYS 26 OK 60 60 - 100 HG2 LYS 19 + HG2 LYS 19 OK 38 38 - 100 Peak 1011 from cnoeabs.peaks (1.47, 1.38, 24.92 ppm; 2.50 A): 4 out of 30 assignments used, quality = 1.00: * HG3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 55 55 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 50 50 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 30 30 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 3 31 10 - 2.6-15.5 HG13 ILE 32 - HG3 LYS 31 far 2 44 5 - 3.5-8.4 HG2 LYS 31 - HG3 LYS 26 far 2 35 5 - 3.8-16.9 HG3 LYS 24 - HG2 LYS 19 far 2 32 5 - 2.1-17.9 HG3 LYS 36 - HG3 LYS 31 far 0 81 0 - 4.1-14.2 HG3 LYS 19 - HG2 LYS 24 far 0 51 0 - 4.1-17.9 HG3 LYS 24 - HG3 LYS 26 far 0 42 0 - 4.4-11.5 HG LEU 42 - HG2 LYS 36 far 0 83 0 - 4.4-13.5 HG3 LYS 19 - HG3 LYS 31 far 0 54 0 - 4.5-25.5 HG3 LYS 36 - HG2 LYS 24 far 0 77 0 - 5.4-28.0 HG13 ILE 32 - HG2 LYS 36 far 0 63 0 - 5.5-9.7 HG2 LYS 31 - HG2 LYS 24 far 0 47 0 - 5.6-17.7 HG2 LYS 31 - HG2 LYS 19 far 0 27 0 - 5.6-25.5 HG3 LYS 24 - HG3 LYS 31 far 0 58 0 - 5.7-17.0 HG3 LYS 24 - HG2 LYS 36 far 0 81 0 - 6.1-25.7 QB ALA 52 - HG3 LYS 26 far 0 52 0 - 6.1-22.8 HG3 LYS 36 - HG3 LYS 26 far 0 60 0 - 6.2-25.2 HG2 LYS 31 - HG2 LYS 36 far 0 71 0 - 6.3-14.0 QB ALA 52 - HG2 LYS 24 far 0 68 0 - 6.5-23.2 HG13 ILE 32 - HG2 LYS 24 far 0 41 0 - 7.5-18.3 HG3 LYS 19 - HG3 LYS 26 far 0 39 0 - 7.8-23.7 QB ALA 52 - HG2 LYS 19 far 0 41 0 - 7.9-29.5 HG3 LYS 36 - HG2 LYS 19 far 0 48 0 - 8.0-34.6 HG3 LYS 19 - HG2 LYS 36 far 0 76 0 - 8.2-34.3 QB ALA 52 - HG3 LYS 31 far 0 72 0 - 8.5-22.6 HG13 ILE 32 - HG2 LYS 19 far 0 24 0 - 8.9-25.0 Violated in 0 structures by 0.00 A. Peak 1012 from cnoeabs.peaks (1.67, 1.38, 24.92 ppm; 4.26 A): 11 out of 58 assignments used, quality = 1.00: HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HG3 LYS 31 OK 77 77 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HG2 LYS 24 OK 72 72 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 53 53 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.5-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 31 OK 21 73 30 97 3.0-16.8 6335/5.0=4, 3.5/620=4...(159) HD2 LYS 26 - HG3 LYS 31 poor 15 76 20 - 4.8-17.0 HD2 LYS 19 - HG2 LYS 24 poor 14 55 25 - 3.2-16.1 HD2 LYS 24 - HG2 LYS 19 poor 11 44 25 - 3.0-17.8 HD3 LYS 19 - HG2 LYS 24 poor 11 55 20 - 2.1-17.8 HD3 LYS 24 - HG2 LYS 19 poor 11 44 25 - 2.7-16.9 HD3 LYS 31 - HG3 LYS 26 far 8 55 15 - 3.4-15.4 HD3 LYS 36 - HG3 LYS 31 far 8 81 10 - 4.6-13.4 HD2 LYS 36 - HG3 LYS 31 far 8 81 10 - 4.8-13.4 HD2 LYS 36 - HG3 LYS 26 far 6 60 10 - 4.8-22.9 HD2 LYS 24 - HG3 LYS 26 far 6 56 10 - 5.3-11.0 HD3 LYS 24 - HG3 LYS 26 far 6 55 10 - 3.7-11.0 HD3 LYS 26 - HG2 LYS 36 far 5 96 5 - 5.1-24.7 HD2 LYS 36 - HG2 LYS 24 far 4 77 5 - 5.3-25.5 HD2 LYS 26 - HG2 LYS 24 far 4 71 5 - 5.8-11.1 HD3 LYS 26 - HG2 LYS 24 far 3 69 5 - 5.2-11.4 HB2 LEU 98 - HG2 LYS 24 far 3 60 5 - 4.9-36.4 HD3 LYS 19 - HG3 LYS 31 far 3 58 5 - 4.1-26.6 HD2 LYS 19 - HG3 LYS 31 far 3 58 5 - 4.6-25.3 HD2 LYS 31 - HG3 LYS 26 far 3 56 5 - 3.6-15.7 HD2 LYS 26 - HG2 LYS 36 far 0 97 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 76 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 60 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 77 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 98 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 77 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 97 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 46 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 98 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 44 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 72 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 100 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 73 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 44 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 42 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 81 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 97 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 70 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 44 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 63 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 65 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 42 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 42 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 81 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 40 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 48 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 31 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 1013 from cnoeabs.peaks (1.67, 1.38, 24.92 ppm; 4.26 A): 11 out of 58 assignments used, quality = 1.00: * HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HG3 LYS 31 OK 77 77 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HG2 LYS 24 OK 72 72 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 53 53 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 32 32 100 100 2.5-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 31 OK 21 73 30 97 3.0-16.8 6335/5.0=4, 3.5/620=4...(159) HD2 LYS 26 - HG3 LYS 31 poor 15 76 20 - 4.8-17.0 HD2 LYS 19 - HG2 LYS 24 poor 14 55 25 - 3.2-16.1 HD2 LYS 24 - HG2 LYS 19 poor 11 44 25 - 3.0-17.8 HD3 LYS 19 - HG2 LYS 24 poor 11 55 20 - 2.1-17.8 HD3 LYS 24 - HG2 LYS 19 poor 11 44 25 - 2.7-16.9 HD3 LYS 31 - HG3 LYS 26 far 8 55 15 - 3.4-15.4 HD3 LYS 36 - HG3 LYS 31 far 8 81 10 - 4.6-13.4 HD2 LYS 36 - HG3 LYS 31 far 8 81 10 - 4.8-13.4 HD2 LYS 36 - HG3 LYS 26 far 6 60 10 - 4.8-22.9 HD2 LYS 24 - HG3 LYS 26 far 6 56 10 - 5.3-11.0 HD3 LYS 24 - HG3 LYS 26 far 6 55 10 - 3.7-11.0 HD3 LYS 26 - HG2 LYS 36 far 5 96 5 - 5.1-24.7 HD2 LYS 36 - HG2 LYS 24 far 4 77 5 - 5.3-25.5 HD2 LYS 26 - HG2 LYS 24 far 4 71 5 - 5.8-11.1 HD3 LYS 26 - HG2 LYS 24 far 3 69 5 - 5.2-11.4 HB2 LEU 98 - HG2 LYS 24 far 3 60 5 - 4.9-36.4 HD3 LYS 19 - HG3 LYS 31 far 3 58 5 - 4.1-26.6 HD2 LYS 19 - HG3 LYS 31 far 3 58 5 - 4.6-25.3 HD2 LYS 31 - HG3 LYS 26 far 3 56 5 - 3.6-15.7 HD2 LYS 26 - HG2 LYS 36 far 0 97 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 76 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 60 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 77 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 98 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 77 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 97 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 46 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 98 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 44 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 71 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 72 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 100 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 73 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 44 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 42 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 81 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 97 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 70 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 44 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 63 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 65 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 42 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 42 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 81 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 40 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 48 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 31 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 1014 from cnoeabs.peaks (2.96, 1.38, 24.92 ppm; 5.32 A): 11 out of 54 assignments used, quality = 1.00: * HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 78 78 100 100 2.4-4.2 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 76 76 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 76 76 100 100 2.1-4.2 4.0=100 HE3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 55 55 100 100 2.1-4.1 3.6=100 HE2 LYS 19 + HG2 LYS 19 OK 48 48 100 100 2.3-3.2 3.8=100 HE3 LYS 19 + HG2 LYS 19 OK 46 46 100 100 2.0-2.8 3.8=100 HE3 LYS 26 + HG2 LYS 36 OK 23 97 30 78 5.1-26.6 1003/3.0=10, ~1004=8...(39) HE2 LYS 26 - HG2 LYS 36 poor 19 97 20 - 5.0-27.0 HE2 LYS 26 - HG3 LYS 31 poor 19 76 25 - 4.3-18.5 HE3 LYS 26 - HG3 LYS 31 poor 19 76 25 - 4.8-18.3 HE3 LYS 19 - HG2 LYS 24 poor 19 74 25 - 3.6-18.0 HE2 LYS 36 - HG3 LYS 31 poor 16 81 20 - 4.3-14.3 HE3 LYS 36 - HG3 LYS 31 poor 16 80 20 - 4.5-14.3 HE2 LYS 19 - HG2 LYS 24 poor 15 77 20 - 4.3-16.8 HE2 LYS 36 - HG3 LYS 26 poor 15 60 25 - 4.6-24.5 HE3 LYS 36 - HG3 LYS 26 poor 15 59 25 - 4.4-24.9 HE2 LYS 31 - HG3 LYS 26 poor 14 58 25 - 5.0-15.0 HE2 LYS 24 - HG2 LYS 19 poor 14 47 30 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 14 47 30 - 3.9-19.3 HE3 LYS 31 - HG3 LYS 26 poor 14 55 25 - 5.8-14.5 HE2 LYS 31 - HG2 LYS 36 far 10 99 10 - 5.3-13.7 HB2 CYS 45 - HG2 LYS 36 poor 9 92 30 32 4.8-12.0 9143/11124=15...(5) HE3 LYS 19 - HG3 LYS 31 far 8 78 10 - 6.4-26.3 HE3 LYS 26 - HG2 LYS 24 far 7 71 10 - 5.4-12.1 HE2 LYS 26 - HG2 LYS 24 far 7 71 10 - 5.9-12.0 HE3 LYS 24 - HG3 LYS 26 far 6 59 10 - 5.5-12.7 HE2 LYS 24 - HG2 LYS 36 far 5 100 5 - 6.3-27.7 HE3 LYS 31 - HG2 LYS 36 far 5 97 5 - 5.1-14.9 HE2 LYS 24 - HG3 LYS 31 far 4 81 5 - 4.1-18.0 HE2 LYS 19 - HG3 LYS 31 far 4 81 5 - 6.7-25.4 HG CYS 73 - HG2 LYS 36 far 4 81 5 - 6.4-14.5 HE3 LYS 24 - HG3 LYS 31 far 4 80 5 - 5.2-18.7 HE2 LYS 36 - HG2 LYS 24 far 4 77 5 - 4.2-26.3 HE3 LYS 36 - HG2 LYS 24 far 4 76 5 - 5.7-27.3 HE3 LYS 31 - HG2 LYS 24 far 4 71 5 - 6.8-19.4 HE2 LYS 24 - HG3 LYS 26 far 3 60 5 - 5.0-12.3 HB3 ASN 116 - HG2 LYS 24 far 2 49 5 - 5.9-34.7 HE3 LYS 31 - HG2 LYS 19 far 2 44 5 - 6.5-27.2 HE2 LYS 31 - HG2 LYS 19 far 0 46 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 62 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 74 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 50 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 100 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 69 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 65 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 47 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 44 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 100 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 45 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 99 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 1015 from cnoeabs.peaks (2.96, 1.38, 24.92 ppm; 5.33 A): 11 out of 53 assignments used, quality = 1.00: * HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 80 80 100 100 2.4-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 79 79 100 100 2.0-4.2 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 77 77 100 100 2.1-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 75 75 100 100 2.0-3.9 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 58 58 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 58 58 100 100 2.1-4.1 3.6=100 HE3 LYS 19 + HG2 LYS 19 OK 47 47 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 47 47 100 100 2.3-3.2 3.8=100 HE3 LYS 26 + HG2 LYS 36 OK 23 99 30 78 5.1-26.6 1004/3.0=10, ~1004=8...(39) HE2 LYS 26 - HG2 LYS 36 poor 20 99 20 - 5.0-27.0 HE2 LYS 26 - HG3 LYS 31 poor 20 79 25 - 4.3-18.5 HE3 LYS 26 - HG3 LYS 31 poor 20 79 25 - 4.8-18.3 HE3 LYS 19 - HG2 LYS 24 poor 19 76 25 - 3.6-18.0 HE3 LYS 36 - HG3 LYS 31 poor 16 81 20 - 4.5-14.3 HE2 LYS 36 - HG3 LYS 31 poor 16 80 20 - 4.3-14.3 HE2 LYS 19 - HG2 LYS 24 poor 15 76 20 - 4.3-16.8 HE3 LYS 36 - HG3 LYS 26 poor 15 60 25 - 4.4-24.9 HE2 LYS 31 - HG3 LYS 26 poor 15 60 25 - 5.0-15.0 HE2 LYS 36 - HG3 LYS 26 poor 15 59 25 - 4.6-24.5 HE3 LYS 31 - HG3 LYS 26 poor 15 58 25 - 5.8-14.5 HE3 LYS 24 - HG2 LYS 19 poor 14 48 30 - 3.9-19.3 HE2 LYS 24 - HG2 LYS 19 poor 14 46 30 - 2.9-18.6 HE2 LYS 31 - HG2 LYS 36 far 10 100 10 - 5.3-13.7 HE3 LYS 19 - HG3 LYS 31 far 8 80 10 - 6.4-26.3 HB2 CYS 45 - HG2 LYS 36 poor 8 85 30 30 4.8-12.0 9143/11124=13...(5) HE3 LYS 26 - HG2 LYS 24 far 7 75 10 - 5.4-12.1 HE2 LYS 26 - HG2 LYS 24 far 7 75 10 - 5.9-12.0 HE3 LYS 24 - HG3 LYS 26 far 6 60 10 - 5.5-12.7 HE3 LYS 31 - HG2 LYS 36 far 5 99 5 - 5.1-14.9 HE2 LYS 24 - HG2 LYS 36 far 5 99 5 - 6.3-27.7 HE3 LYS 24 - HG3 LYS 31 far 4 81 5 - 5.2-18.7 HE2 LYS 19 - HG3 LYS 31 far 4 80 5 - 6.7-25.4 HE2 LYS 24 - HG3 LYS 31 far 4 79 5 - 4.1-18.0 HE3 LYS 36 - HG2 LYS 24 far 4 77 5 - 5.7-27.3 HE2 LYS 36 - HG2 LYS 24 far 4 76 5 - 4.2-26.3 HE3 LYS 31 - HG2 LYS 24 far 4 75 5 - 6.8-19.4 HG CYS 73 - HG2 LYS 36 far 4 71 5 - 6.4-14.5 HE2 LYS 24 - HG3 LYS 26 far 3 58 5 - 5.0-12.3 HE3 LYS 31 - HG2 LYS 19 far 2 46 5 - 6.5-27.2 HB3 ASN 116 - HG2 LYS 24 far 2 41 5 - 5.9-34.7 HE2 LYS 31 - HG2 LYS 19 far 0 47 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 68 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 76 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 45 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 100 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 62 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 58 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 48 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 46 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 100 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 100 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 1016 from cnoeabs.peaks (7.97, 1.38, 24.92 ppm; 5.09 A): 4 out of 23 assignments used, quality = 1.00: * H ILE 37 + HG2 LYS 36 OK 100 100 100 100 1.9-4.9 6406=100, 6407/1.8=95...(16) H SER 38 + HG2 LYS 36 OK 76 92 90 92 4.3-8.7 4.6/6406=63...(11) H LYS 36 + HG2 LYS 36 OK 60 60 100 100 1.8-4.3 5.0=100 H THR 18 + HG2 LYS 19 OK 41 46 95 93 3.1-6.6 6144/4.9=69, 10683=46...(8) H THR 18 - HG2 LYS 24 far 11 75 15 - 5.7-17.1 H THR 18 - HG3 LYS 31 far 8 79 10 - 3.1-23.6 H THR 18 - HG2 LYS 36 far 5 99 5 - 3.4-33.1 H LYS 36 - HG3 LYS 26 far 4 29 15 - 4.9-24.4 H ASP 64 - HG2 LYS 24 far 4 73 5 - 5.5-25.2 H ASP 64 - HG3 LYS 26 far 3 57 5 - 3.5-21.6 H SER 51 - HG3 LYS 26 far 2 47 5 - 3.3-27.1 H LYS 36 - HG3 LYS 31 far 2 42 5 - 6.1-13.9 H SER 51 - HG2 LYS 19 far 0 37 0 - 6.7-39.1 H ILE 37 - HG3 LYS 26 far 0 60 0 - 7.0-24.5 H ASP 64 - HG3 LYS 31 far 0 78 0 - 7.1-19.5 H LYS 36 - HG2 LYS 24 far 0 39 0 - 7.1-26.6 H ILE 37 - HG3 LYS 31 far 0 81 0 - 7.7-14.8 H SER 38 - HG3 LYS 26 far 0 50 0 - 8.4-25.3 H THR 18 - HG3 LYS 26 far 0 58 0 - 8.5-21.8 H ILE 37 - HG2 LYS 24 far 0 77 0 - 8.6-26.1 H SER 38 - HG2 LYS 24 far 0 65 0 - 9.2-26.6 H SER 51 - HG2 LYS 24 far 0 62 0 - 9.3-29.8 H SER 38 - HG2 LYS 19 far 0 39 0 - 9.8-35.5 Violated in 0 structures by 0.00 A. Peak 1017 from cnoeabs.peaks (8.00, 1.47, 24.92 ppm; 4.38 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.6-4.2 6395=100, 6394/1.8=93...(50) H ILE 37 + HG3 LYS 36 OK 59 60 100 98 2.7-5.3 4.4/6395=55, 6407=46...(13) H SER 38 - HG3 LYS 36 far 9 93 10 - 4.9-9.1 H THR 18 - HG3 LYS 36 far 4 76 5 - 4.5-33.1 H SER 94 - HG3 LYS 86 far 0 93 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 1018 from cnoeabs.peaks (4.27, 1.47, 24.92 ppm; 4.41 A): 2 out of 15 assignments used, quality = 1.00: * HA LYS 36 + HG3 LYS 36 OK 100 100 100 100 3.0-4.2 4.1=100 HA PHE 87 + HG3 LYS 86 OK 35 89 40 99 2.8-6.6 ~7157=36, ~7156=36...(26) HA ARG 84 - HG3 LYS 86 far 6 57 10 - 5.6-7.8 HA LYS 31 - HG3 LYS 36 far 5 100 5 - 5.5-12.3 HA LYS 26 - HG3 LYS 36 far 5 99 5 - 5.8-22.9 HA ALA 21 - HG3 LYS 36 far 5 92 5 - 3.3-29.1 HA THR 18 - HG3 LYS 36 far 4 89 5 - 5.3-34.6 HA ARG 23 - HG3 LYS 36 far 0 97 0 - 6.5-26.4 HA THR 25 - HG3 LYS 36 far 0 90 0 - 6.5-24.0 HA LYS 19 - HG3 LYS 36 far 0 99 0 - 6.6-33.2 HA ALA 16 - HG3 LYS 36 far 0 100 0 - 7.4-33.4 HA ALA 15 - HG3 LYS 36 far 0 97 0 - 8.0-30.2 HA LEU 22 - HG3 LYS 36 far 0 99 0 - 8.0-30.1 HA SER 74 - HG3 LYS 86 far 0 81 0 - 8.4-11.6 HA GLN 61 - HG3 LYS 36 far 0 99 0 - 9.2-21.3 Violated in 0 structures by 0.00 A. Peak 1019 from cnoeabs.peaks (1.82, 1.47, 24.92 ppm; 4.16 A): 3 out of 13 assignments used, quality = 1.00: * HB2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 86 + HG3 LYS 86 OK 69 69 100 100 2.2-3.0 3.0=100 HB ILE 32 + HG3 LYS 36 OK 60 100 60 100 1.9-8.0 2.1/10901=52, ~10810=35...(49) HB3 LYS 24 - HG3 LYS 36 far 5 100 5 - 3.5-27.2 HB3 LYS 26 - HG3 LYS 36 far 5 100 5 - 5.1-23.3 HB3 ARG 23 - HG3 LYS 36 far 0 99 0 - 5.8-24.6 HB3 LYS 31 - HG3 LYS 36 far 0 100 0 - 6.0-13.7 HB2 ARG 84 - HG3 LYS 86 far 0 91 0 - 7.0-9.6 HB2 CYS 79 - HG3 LYS 86 far 0 69 0 - 7.1-11.2 HB3 ARG 135 - HG3 LYS 86 far 0 94 0 - 7.5-13.0 HB VAL 93 - HG3 LYS 86 far 0 88 0 - 7.8-10.5 HB3 LYS 19 - HG3 LYS 36 far 0 100 0 - 8.3-32.7 HB2 CYS 79 - HG3 LYS 36 far 0 78 0 - 9.9-19.8 Violated in 0 structures by 0.00 A. Peak 1020 from cnoeabs.peaks (1.88, 1.47, 24.92 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 90 - HG3 LYS 86 poor 19 52 50 71 4.4-9.1 ~2651=13, ~9897=10...(20) HB3 ARG 84 - HG3 LYS 86 far 0 73 0 - 6.1-9.5 HB2 GLU 40 - HG3 LYS 36 far 0 92 0 - 6.9-15.9 HB2 ARG 135 - HG3 LYS 86 far 0 77 0 - 7.8-13.8 HB3 LEU 48 - HG3 LYS 36 far 0 97 0 - 8.5-18.6 Violated in 0 structures by 0.00 A. Peak 1021 from cnoeabs.peaks (1.38, 1.47, 24.92 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * HG2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 31 - HG3 LYS 36 far 0 97 0 - 4.1-14.2 HG2 LYS 24 - HG3 LYS 36 far 0 100 0 - 5.4-28.0 HG3 LYS 26 - HG3 LYS 36 far 0 100 0 - 6.2-25.2 QB ALA 29 - HG3 LYS 36 far 0 100 0 - 6.2-11.9 HB2 LEU 42 - HG3 LYS 36 far 0 100 0 - 6.5-12.2 QB ALA 15 - HG3 LYS 36 far 0 100 0 - 6.7-26.8 QB ALA 16 - HG3 LYS 36 far 0 73 0 - 6.7-26.7 HG2 LYS 19 - HG3 LYS 36 far 0 90 0 - 8.0-34.6 QB ALA 28 - HG3 LYS 36 far 0 100 0 - 8.1-15.6 QB ALA 12 - HG3 LYS 36 far 0 81 0 - 8.9-25.1 Violated in 0 structures by 0.00 A. Peak 1022 from cnoeabs.peaks (1.47, 1.47, 24.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 HG3 LYS 86 + HG3 LYS 86 OK 91 91 - 100 Peak 1023 from cnoeabs.peaks (1.67, 1.47, 24.92 ppm; 4.12 A): 4 out of 16 assignments used, quality = 1.00: HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.2-2.7 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.3-2.8 3.0=100 HD2 LYS 26 - HG3 LYS 36 far 15 97 15 - 5.1-26.0 HD2 LYS 24 - HG3 LYS 36 far 5 98 5 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 5 97 5 - 5.6-12.6 HD3 LYS 26 - HG3 LYS 36 far 5 96 5 - 3.6-25.1 HD2 LYS 31 - HG3 LYS 36 far 0 98 0 - 5.8-13.8 QB ALA 88 - HG3 LYS 86 far 0 90 0 - 6.2-7.8 HD3 LYS 24 - HG3 LYS 36 far 0 97 0 - 6.5-26.8 HB2 LEU 69 - HG3 LYS 36 far 0 100 0 - 7.2-13.2 HG LEU 43 - HG3 LYS 36 far 0 65 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 81 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 81 0 - 9.7-35.0 HD2 LYS 39 - HG3 LYS 86 far 0 91 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 1024 from cnoeabs.peaks (1.67, 1.47, 24.92 ppm; 4.12 A): 4 out of 16 assignments used, quality = 1.00: * HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.2-2.7 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 88 88 100 100 2.3-2.8 3.0=100 HD2 LYS 26 - HG3 LYS 36 far 15 97 15 - 5.1-26.0 HD2 LYS 24 - HG3 LYS 36 far 5 98 5 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 5 97 5 - 5.6-12.6 HD3 LYS 26 - HG3 LYS 36 far 5 96 5 - 3.6-25.1 HD2 LYS 31 - HG3 LYS 36 far 0 98 0 - 5.8-13.8 QB ALA 88 - HG3 LYS 86 far 0 90 0 - 6.2-7.8 HD3 LYS 24 - HG3 LYS 36 far 0 97 0 - 6.5-26.8 HB2 LEU 69 - HG3 LYS 36 far 0 100 0 - 7.2-13.2 HG LEU 43 - HG3 LYS 36 far 0 65 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 81 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 81 0 - 9.7-35.0 HD2 LYS 39 - HG3 LYS 86 far 0 91 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 1025 from cnoeabs.peaks (2.96, 1.47, 24.92 ppm; 4.91 A): 5 out of 14 assignments used, quality = 1.00: * HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-4.1 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.5 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 94 94 100 100 3.3-3.7 3.7=100 HE2 LYS 26 + HG3 LYS 36 OK 25 97 35 72 4.5-27.4 1004/3.0=8...(20) HE3 LYS 26 + HG3 LYS 36 OK 21 97 30 71 4.4-26.9 1004/3.0=8...(24) HE2 LYS 31 - HG3 LYS 36 far 15 99 15 - 4.4-14.3 HE3 LYS 31 - HG3 LYS 36 far 10 97 10 - 3.7-15.5 HE2 LYS 24 - HG3 LYS 36 far 5 100 5 - 4.6-28.4 HE3 LYS 24 - HG3 LYS 36 far 5 100 5 - 6.2-28.3 HB2 CYS 45 - HG3 LYS 36 lone 3 92 35 10 4.0-12.1 10889/11286=4...(4) HG CYS 73 - HG3 LYS 36 far 0 81 0 - 7.2-14.3 HD2 ARG 135 - HG3 LYS 86 far 0 75 0 - 7.9-14.0 HE2 LYS 39 - HG3 LYS 86 far 0 59 0 - 8.8-17.3 HE2 LYS 19 - HG3 LYS 36 far 0 100 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 1026 from cnoeabs.peaks (2.96, 1.47, 24.92 ppm; 4.92 A): 5 out of 13 assignments used, quality = 1.00: * HE3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.5 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-4.1 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 94 94 100 100 3.3-3.7 3.7=100 HE2 LYS 26 + HG3 LYS 36 OK 25 99 35 72 4.5-27.4 1004/3.0=8...(20) HE3 LYS 26 + HG3 LYS 36 OK 21 99 30 71 4.4-26.9 1004/3.0=9...(24) HE2 LYS 31 - HG3 LYS 36 far 15 100 15 - 4.4-14.3 HE3 LYS 31 - HG3 LYS 36 far 10 99 10 - 3.7-15.5 HE3 LYS 24 - HG3 LYS 36 far 5 100 5 - 6.2-28.3 HE2 LYS 24 - HG3 LYS 36 far 5 99 5 - 4.6-28.4 HB2 CYS 45 - HG3 LYS 36 lone 3 85 35 9 4.0-12.1 10889/11286=4...(4) HG CYS 73 - HG3 LYS 36 far 0 71 0 - 7.2-14.3 HD2 ARG 135 - HG3 LYS 86 far 0 67 0 - 7.9-14.0 HE2 LYS 19 - HG3 LYS 36 far 0 100 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 1027 from cnoeabs.peaks (7.97, 1.47, 24.92 ppm; 4.56 A): 2 out of 5 assignments used, quality = 1.00: * H ILE 37 + HG3 LYS 36 OK 100 100 100 100 2.7-5.3 6407=100, 6406/1.8=89...(13) H LYS 36 + HG3 LYS 36 OK 60 60 100 100 2.6-4.2 5.0=74, 4.4/6407=51...(50) H SER 38 - HG3 LYS 36 poor 17 92 25 74 4.9-9.1 4.6/6407=49, 1016/1.8=18...(8) H THR 18 - HG3 LYS 36 far 5 99 5 - 4.5-33.1 H SER 94 - HG3 LYS 86 far 0 62 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 1028 from cnoeabs.peaks (8.00, 1.67, 28.90 ppm; 5.75 A): 6 out of 36 assignments used, quality = 1.00: * H LYS 36 + HD2 LYS 36 OK 100 100 100 100 1.9-5.2 6392/3.5=98, 6395/3.0=98...(73) H LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.7 6392/3.5=98, 6395/3.0=98...(72) H SER 38 + HD3 LYS 36 OK 66 93 80 88 3.9-9.8 6426/10918=42...(9) H ILE 37 + HD3 LYS 36 OK 60 60 100 100 1.8-5.7 6405/3.5=44, 6406/3.0=43...(15) H ILE 37 + HD2 LYS 36 OK 60 60 100 100 3.3-5.2 6405/3.5=44, 6406/3.0=43...(15) H SER 38 + HD2 LYS 36 OK 57 93 70 87 5.2-8.5 4.2/10818=42...(9) H LYS 36 - HD3 LYS 26 poor 17 87 20 - 5.1-24.6 H THR 18 - HD2 LYS 24 poor 17 66 25 - 5.7-16.2 H THR 18 - HD3 LYS 24 poor 16 64 25 - 4.1-16.0 H LYS 36 - HD2 LYS 26 poor 9 92 30 32 5.2-25.3 10892/10837=8...(5) H SER 51 - HD2 LYS 24 far 4 87 5 - 6.8-31.6 H SER 51 - HD2 LYS 26 far 4 84 5 - 4.2-29.2 H SER 51 - HD3 LYS 26 far 4 79 5 - 5.7-29.1 H THR 18 - HD3 LYS 36 far 4 76 5 - 5.7-31.6 H THR 18 - HD2 LYS 36 far 4 76 5 - 6.3-30.9 H THR 18 - HD2 LYS 31 far 3 66 5 - 4.6-23.2 H THR 18 - HD3 LYS 31 far 3 64 5 - 5.8-24.6 H ILE 37 - HD2 LYS 26 far 2 50 5 - 7.2-25.5 H ILE 37 - HD3 LYS 26 far 2 46 5 - 6.8-24.8 H THR 18 - HD3 LYS 26 far 0 59 0 - 7.5-22.0 H LYS 36 - HD3 LYS 24 far 0 92 0 - 7.5-25.3 H LYS 36 - HD2 LYS 24 far 0 94 0 - 7.5-24.6 H THR 18 - HD2 LYS 26 far 0 64 0 - 7.7-20.9 H SER 38 - HD2 LYS 26 far 0 82 0 - 7.8-26.3 H LYS 36 - HD2 LYS 31 far 0 94 0 - 7.9-13.3 H SER 51 - HD3 LYS 24 far 0 84 0 - 8.2-30.4 H SER 38 - HD3 LYS 24 far 0 82 0 - 8.2-26.1 H ILE 37 - HD2 LYS 24 far 0 52 0 - 8.3-24.4 H SER 38 - HD2 LYS 24 far 0 84 0 - 8.3-26.6 H SER 94 - HD2 LYS 24 far 0 93 0 - 8.4-33.7 H LYS 36 - HD3 LYS 31 far 0 92 0 - 8.6-13.4 H SER 38 - HD3 LYS 26 far 0 76 0 - 8.7-26.5 H ILE 37 - HD3 LYS 24 far 0 50 0 - 8.7-24.6 H ILE 37 - HD2 LYS 31 far 0 52 0 - 9.1-14.5 H SER 94 - HD3 LYS 24 far 0 91 0 - 9.1-35.3 H ILE 37 - HD3 LYS 31 far 0 50 0 - 9.1-15.3 Violated in 0 structures by 0.00 A. Peak 1029 from cnoeabs.peaks (4.27, 1.67, 28.90 ppm; 4.42 A): 16 out of 114 assignments used, quality = 1.00: * HA LYS 36 + HD2 LYS 36 OK 100 100 100 100 3.5-5.3 5.3=59, 3.0/1031=40...(35) HA LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.0-5.3 5.3=59, 3.0/1042=40...(34) HA LYS 31 + HD2 LYS 31 OK 93 94 100 99 2.0-5.4 5.2=61, ~6332=29...(38) HA LYS 31 + HD3 LYS 31 OK 91 92 100 99 2.0-4.9 5.2=61, ~6332=29...(38) HA LYS 26 + HD2 LYS 26 OK 89 90 100 99 2.1-5.4 5.0=70, ~6252=37...(33) HA LYS 26 + HD3 LYS 26 OK 84 85 100 99 2.1-5.1 5.0=70, ~6252=37...(33) HA THR 25 + HD2 LYS 24 OK 43 81 55 96 2.7-7.9 11128/3.5=30, ~6234=26...(26) HA THR 25 + HD3 LYS 24 OK 42 78 55 96 3.3-8.1 11128/3.5=30, ~6234=26...(25) HA THR 25 + HD2 LYS 26 OK 36 78 50 93 3.7-8.6 582/5.7=37, 11128/3.5=24...(22) HA THR 25 + HD3 LYS 26 OK 31 73 45 93 4.5-8.0 582/5.7=37, 11128/3.5=24...(22) HA LYS 19 + HD3 LYS 24 OK 31 89 40 86 2.2-14.1 822/3.0=5, 793/3.0=4...(79) HA LYS 19 + HD2 LYS 24 OK 29 91 35 90 3.3-14.3 822/3.0=5, 793/3.0=4...(114) HA LYS 31 + HD3 LYS 26 OK 26 87 30 98 4.2-17.5 3.0/6335=6, 790/3.5=4...(182) HA LYS 31 + HD2 LYS 26 OK 23 92 25 99 4.7-17.2 3.0/6335=6, ~6336=4...(188) HA ARG 23 + HD2 LYS 26 OK 22 86 45 56 3.1-12.9 6240/6236=3, 627/2.9=2...(14) HA LYS 26 + HD2 LYS 31 OK 22 92 25 93 2.5-14.0 790/3.5=7, 822/2.9=6...(115) HA ARG 23 - HD3 LYS 26 poor 19 80 40 60 3.6-13.1 4.9/11449=8, 4.9/11449=7...(16) HA LYS 26 - HD3 LYS 31 poor 18 90 20 - 4.2-13.7 HA ARG 23 - HD2 LYS 24 poor 17 88 30 65 3.9-8.4 424/5.9=36, ~821=7...(16) HA ARG 23 - HD3 LYS 24 poor 17 86 30 65 3.5-8.6 424/5.9=36, ~821=7...(17) HA ALA 21 - HD2 LYS 24 poor 16 82 20 - 3.9-12.1 HA ALA 21 - HD3 LYS 24 poor 16 80 20 - 3.1-12.2 HA LYS 31 - HD2 LYS 36 far 15 100 15 - 4.5-11.5 HA THR 25 - HD2 LYS 31 far 12 81 15 - 4.3-15.2 HA THR 18 - HD3 LYS 24 far 12 77 15 - 2.0-15.2 HA LEU 22 - HD2 LYS 24 poor 10 92 30 37 2.8-10.2 11967/3.0=8, 6212/5.9=7...(10) HA LYS 36 - HD2 LYS 26 far 9 92 10 - 4.9-28.2 HA LYS 36 - HD3 LYS 26 far 9 87 10 - 5.8-27.5 HA ALA 15 - HD3 LYS 31 far 9 87 10 - 5.3-25.6 HA LEU 22 - HD3 LYS 24 poor 8 89 25 37 3.9-9.9 11967/3.0=8, 6212/5.9=7...(10) HA THR 25 - HD3 LYS 31 far 8 78 10 - 4.3-14.5 HA LYS 31 - HD3 LYS 36 far 5 100 5 - 5.5-11.8 HA ALA 16 - HD2 LYS 31 far 5 94 5 - 4.9-27.6 HA ALA 21 - HD3 LYS 36 far 5 92 5 - 5.2-27.3 HA ALA 21 - HD2 LYS 36 far 5 92 5 - 5.3-26.7 HA ALA 108 - HD2 LYS 26 far 5 92 5 - 4.8-33.2 HA THR 25 - HD2 LYS 36 far 5 90 5 - 4.6-21.6 HA GLN 61 - HD2 LYS 26 far 5 90 5 - 4.2-27.0 HA THR 25 - HD3 LYS 36 far 5 90 5 - 5.9-22.2 HA LYS 26 - HD3 LYS 24 far 5 90 5 - 4.6-10.7 HA LEU 22 - HD2 LYS 26 far 4 89 5 - 5.5-15.0 HA ALA 15 - HD2 LYS 24 far 4 89 5 - 5.4-22.2 HA ALA 15 - HD2 LYS 31 far 4 89 5 - 5.7-24.6 HA ARG 23 - HD2 LYS 31 far 4 88 5 - 5.6-16.4 HA ALA 15 - HD3 LYS 24 far 4 87 5 - 5.0-21.8 HA ALA 109 - HD3 LYS 26 far 4 87 5 - 4.8-33.6 HA GLN 61 - HD3 LYS 26 far 4 85 5 - 4.2-26.3 HA ALA 110 - HD3 LYS 26 far 4 83 5 - 4.9-35.3 HA THR 18 - HD2 LYS 24 far 4 79 5 - 3.6-15.2 HA THR 18 - HD2 LYS 31 far 4 79 5 - 4.8-23.0 HA THR 18 - HD3 LYS 31 far 4 77 5 - 4.8-24.1 HA ALA 21 - HD3 LYS 26 far 4 75 5 - 5.8-15.9 HA GLN 61 - HD3 LYS 31 far 0 90 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 94 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 92 0 - 6.0-10.6 HA ALA 109 - HD2 LYS 26 far 0 92 0 - 6.1-34.6 HA ALA 108 - HD3 LYS 26 far 0 87 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 86 0 - 6.2-17.8 HA ALA 16 - HD3 LYS 31 far 0 92 0 - 6.3-29.1 HA LEU 22 - HD3 LYS 26 far 0 84 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 92 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 88 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 83 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 92 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 89 0 - 6.7-32.3 HA THR 18 - HD3 LYS 36 far 0 89 0 - 6.8-33.0 HA GLN 61 - HD3 LYS 24 far 0 90 0 - 6.8-25.3 HA ALA 12 - HD3 LYS 24 far 0 87 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 94 0 - 7.0-16.1 HA LYS 26 - HD2 LYS 36 far 0 99 0 - 7.0-20.6 HA ALA 16 - HD3 LYS 36 far 0 100 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 94 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 99 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 78 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 80 0 - 7.2-16.4 HA LYS 19 - HD3 LYS 31 far 0 89 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 92 0 - 7.5-26.2 HA ALA 108 - HD3 LYS 24 far 0 92 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 97 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 97 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 89 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 92 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 92 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 89 0 - 7.7-20.2 HA LYS 31 - HD2 LYS 24 far 0 94 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 91 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 92 0 - 8.1-19.6 HA ALA 15 - HD3 LYS 26 far 0 82 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 94 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 71 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 87 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 81 0 - 8.3-23.9 HA ALA 15 - HD3 LYS 36 far 0 97 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 92 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 100 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 92 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 99 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 99 0 - 8.5-27.7 HA LYS 19 - HD3 LYS 36 far 0 99 0 - 8.7-31.8 HA THR 18 - HD2 LYS 26 far 0 77 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 82 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 99 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 87 0 - 9.1-23.9 HA LEU 22 - HD3 LYS 31 far 0 89 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 80 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 92 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 94 0 - 9.5-32.1 HA ALA 12 - HD2 LYS 31 far 0 89 0 - 9.6-26.0 HA ALA 12 - HD3 LYS 31 far 0 87 0 - 9.7-27.0 HA ALA 109 - HD2 LYS 24 far 0 94 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 87 0 - 9.8-33.3 HA ALA 16 - HD2 LYS 26 far 0 92 0 - 9.9-24.2 HA LEU 22 - HD3 LYS 36 far 0 99 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 97 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 1030 from cnoeabs.peaks (1.82, 1.67, 28.90 ppm; 4.10 A): 16 out of 59 assignments used, quality = 1.00: * HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.0 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 93 93 100 100 2.5-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.2-4.0 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.0-4.1 3.5=100 HB ILE 32 + HD2 LYS 36 OK 65 100 65 99 2.1-6.8 2.1/10837=31, ~10901=29...(53) HB ILE 32 + HD3 LYS 36 OK 60 100 60 99 2.3-8.3 2.1/10837=29, ~10901=29...(56) HB3 LYS 31 + HD2 LYS 26 OK 35 91 40 96 2.9-17.3 629/2.9=7, 640/2.9=5...(131) HB3 LYS 31 + HD3 LYS 26 OK 32 86 40 94 3.4-17.4 629/2.9=7, 640/2.9=5...(101) HB3 LYS 19 + HD2 LYS 24 OK 29 93 35 89 2.0-16.0 824/3.0=3, 2631=3...(112) HB3 LYS 26 + HD2 LYS 31 OK 27 94 30 97 4.2-14.4 10769/10771=15...(184) HB3 LYS 19 + HD3 LYS 24 OK 27 91 35 84 3.5-15.3 2631=3, 824/3.0=3...(80) HB ILE 32 + HD3 LYS 31 OK 23 92 30 85 4.1-9.2 3.0/10763=9, 10752/5.2=7...(51) HB ILE 32 - HD3 LYS 26 poor 18 87 25 85 4.0-17.6 2.9/10767=10...(43) HB2 LYS 36 - HD2 LYS 26 poor 18 92 20 - 5.1-27.9 HB ILE 32 - HD2 LYS 26 poor 18 92 20 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 poor 18 92 20 - 4.5-14.4 HB3 ARG 23 - HD2 LYS 26 poor 18 90 35 57 2.9-14.2 442/5.7=4, ~11618=4...(18) HB2 LYS 36 - HD3 LYS 26 poor 17 87 20 - 4.4-27.1 HB3 ARG 23 - HD3 LYS 26 poor 16 85 30 61 2.9-14.6 3.7/11449=9, 3.7/11449=7...(14) HB3 LYS 24 - HD3 LYS 36 far 10 100 10 - 5.5-25.2 HB3 ARG 23 - HD3 LYS 24 far 9 90 10 - 5.2-9.3 HB3 LYS 24 - HD2 LYS 36 far 5 100 5 - 4.2-24.7 HB3 ARG 23 - HD3 LYS 36 far 5 99 5 - 4.9-23.1 HB2 LYS 36 - HD2 LYS 31 far 5 94 5 - 5.0-15.5 HB ILE 32 - HD2 LYS 31 far 5 94 5 - 5.5-9.5 HB3 LYS 26 - HD2 LYS 24 far 5 94 5 - 5.1-12.6 HB3 LYS 24 - HD2 LYS 31 far 5 94 5 - 5.4-17.9 HB3 LYS 26 - HD3 LYS 24 far 5 92 5 - 3.7-12.3 HB2 LYS 36 - HD2 LYS 24 far 0 94 0 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 0 99 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 92 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 92 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 91 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 93 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 92 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 90 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 91 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 91 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 91 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 86 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.9 HB3 LYS 31 - HD3 LYS 24 far 0 91 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 92 0 - 6.9-28.2 HB ILE 32 - HD3 LYS 24 far 0 92 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 100 0 - 7.1-13.3 HB3 LEU 122 - HD3 LYS 24 far 0 64 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 93 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 86 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 24 far 0 66 0 - 8.2-31.5 HB ILE 32 - HD2 LYS 24 far 0 94 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 57 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 78 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 36 far 0 78 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 1031 from cnoeabs.peaks (1.88, 1.67, 28.90 ppm; 3.43 A): 2 out of 25 assignments used, quality = 1.00: * HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-4.0 3.5=94, 6393/6.1=17...(76) HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.2 3.5=94, 6393/6.1=17...(76) HB3 LYS 36 - HD2 LYS 24 far 5 94 5 - 4.4-26.5 HB2 GLU 40 - HD3 LYS 36 far 5 92 5 - 4.5-16.9 HB2 GLU 40 - HD2 LYS 24 far 4 82 5 - 4.0-32.8 HB2 GLU 40 - HD3 LYS 24 far 4 80 5 - 3.0-31.2 HB3 LEU 48 - HD2 LYS 24 far 0 89 0 - 5.1-30.4 HB3 LYS 36 - HD3 LYS 26 far 0 87 0 - 5.3-26.4 HB2 GLU 40 - HD2 LYS 36 far 0 92 0 - 5.4-16.0 HB3 LYS 36 - HD2 LYS 26 far 0 92 0 - 5.4-27.2 HB3 LEU 48 - HD3 LYS 24 far 0 87 0 - 5.5-29.0 HB3 LYS 36 - HD2 LYS 31 far 0 94 0 - 5.7-14.8 HB3 LYS 36 - HD3 LYS 24 far 0 92 0 - 5.8-27.0 HB3 LEU 48 - HD2 LYS 31 far 0 89 0 - 6.1-25.6 HB3 LEU 48 - HD3 LYS 36 far 0 97 0 - 6.4-16.2 HB3 LEU 48 - HD3 LYS 26 far 0 82 0 - 6.7-28.3 HB3 LEU 48 - HD2 LYS 36 far 0 97 0 - 6.8-17.8 HB3 LYS 36 - HD3 LYS 31 far 0 92 0 - 6.9-14.6 HB2 GLU 40 - HD2 LYS 31 far 0 82 0 - 7.1-25.0 HB3 LEU 48 - HD3 LYS 31 far 0 87 0 - 7.1-24.4 HB3 LEU 48 - HD2 LYS 26 far 0 87 0 - 7.3-28.7 HB2 GLU 40 - HD3 LYS 31 far 0 80 0 - 7.9-23.3 HB2 GLU 40 - HD2 LYS 26 far 0 80 0 - 7.9-32.4 HB2 GLU 40 - HD3 LYS 26 far 0 75 0 - 8.2-32.0 HB3 LEU 119 - HD3 LYS 24 far 0 84 0 - 9.3-33.5 Violated in 1 structures by 0.00 A. Peak 1032 from cnoeabs.peaks (1.38, 1.67, 28.90 ppm; 3.85 A): 8 out of 98 assignments used, quality = 1.00: HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.2-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.3-3.0 2.9=100 HG2 LYS 19 - HD3 LYS 24 poor 20 78 25 - 2.7-16.9 QB ALA 15 - HD3 LYS 31 poor 18 92 20 - 3.8-22.6 HG2 LYS 19 - HD2 LYS 24 poor 16 81 25 78 3.0-17.8 3.0/2631=2, 276=2...(27) QB ALA 29 - HD2 LYS 31 far 14 94 15 - 2.5-9.8 HG3 LYS 26 - HD3 LYS 31 far 14 92 15 - 3.4-15.4 QB ALA 28 - HD3 LYS 24 far 14 91 15 - 4.8-12.7 HG3 LYS 31 - HD2 LYS 26 far 13 87 15 - 4.8-17.0 HB2 LEU 42 - HD3 LYS 36 far 10 100 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 10 100 10 - 4.0-11.4 HG3 LYS 26 - HD2 LYS 36 far 10 100 10 - 4.8-22.9 HG3 LYS 31 - HD2 LYS 36 far 10 97 10 - 4.8-13.4 QB ALA 28 - HD2 LYS 24 far 9 94 10 - 4.4-13.3 QB ALA 29 - HD2 LYS 26 far 9 92 10 - 4.7-11.1 QB ALA 29 - HD3 LYS 31 poor 9 92 30 32 3.0-9.8 ~10782=16, 3.7/7749=4...(8) QB ALA 29 - HD3 LYS 26 far 9 87 10 - 4.5-11.4 QB ALA 28 - HD2 LYS 31 poor 9 94 25 37 2.1-10.6 6304/10771=19, ~10771=12...(4) QB ALA 28 - HD3 LYS 31 poor 8 91 25 36 2.9-9.7 6304/10771=16, ~10771=14...(5) HG3 LYS 31 - HD3 LYS 26 far 8 82 10 - 3.0-16.8 QB ALA 12 - HD3 LYS 24 far 7 69 10 - 4.3-18.1 QB ALA 29 - HD3 LYS 36 far 5 100 5 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 5 100 5 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 5 100 5 - 5.3-25.5 HG3 LYS 31 - HD3 LYS 36 far 5 97 5 - 4.6-13.4 HG3 LYS 26 - HD2 LYS 31 far 5 94 5 - 3.6-15.7 QB ALA 15 - HD2 LYS 31 far 5 94 5 - 3.6-21.3 QB ALA 15 - HD2 LYS 24 far 5 94 5 - 4.1-17.3 QB ALA 29 - HD2 LYS 24 far 5 94 5 - 5.3-13.3 HG3 LYS 26 - HD2 LYS 24 far 5 94 5 - 5.3-11.0 QB ALA 108 - HD2 LYS 24 far 5 93 5 - 5.1-33.9 HG3 LYS 95 - HD2 LYS 24 far 5 93 5 - 3.4-37.4 HG3 LYS 26 - HD3 LYS 24 far 5 92 5 - 3.7-11.0 QB ALA 15 - HD3 LYS 24 far 5 92 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 5 92 5 - 3.6-30.2 QB ALA 29 - HD3 LYS 24 far 5 92 5 - 5.3-12.6 HG2 LYS 95 - HD2 LYS 24 far 5 92 5 - 4.4-37.2 QB ALA 108 - HD3 LYS 24 far 5 91 5 - 4.5-33.1 HG3 LYS 95 - HD3 LYS 24 far 5 91 5 - 3.7-36.4 HG2 LYS 95 - HD3 LYS 24 far 4 89 5 - 4.1-36.2 QB ALA 109 - HD2 LYS 26 far 4 89 5 - 4.4-27.7 QB ALA 110 - HD3 LYS 26 far 4 87 5 - 2.4-29.3 HG2 LYS 36 - HD3 LYS 26 far 4 87 5 - 5.1-24.7 HG2 LYS 24 - HD3 LYS 26 far 4 87 5 - 5.2-11.4 QB ALA 108 - HD3 LYS 26 far 4 86 5 - 4.8-26.0 QB ALA 109 - HD3 LYS 26 far 4 83 5 - 5.1-28.1 QB ALA 16 - HD2 LYS 24 far 3 64 5 - 4.9-17.1 QB ALA 16 - HD2 LYS 31 far 3 64 5 - 5.3-24.0 QB ALA 28 - HD2 LYS 26 far 0 91 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 71 0 - 5.6-18.4 QB ALA 16 - HD3 LYS 24 far 0 62 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 92 0 - 5.8-11.1 HG2 LYS 36 - HD2 LYS 26 far 0 92 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 87 0 - 5.9-16.5 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 89 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 91 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 86 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 94 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 62 0 - 6.3-25.2 QB ALA 12 - HD3 LYS 31 far 0 69 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 100 0 - 6.6-25.9 QB ALA 12 - HD2 LYS 31 far 0 71 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 92 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 73 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 94 0 - 7.0-25.5 HG2 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 92 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 94 0 - 7.0-16.7 QB ALA 15 - HD2 LYS 26 far 0 92 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 100 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 78 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 87 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 73 0 - 7.7-25.0 QB ALA 108 - HD2 LYS 31 far 0 93 0 - 7.7-26.1 HG2 LYS 19 - HD3 LYS 26 far 0 73 0 - 7.8-23.7 QB ALA 109 - HD3 LYS 24 far 0 89 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 92 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 100 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 91 0 - 8.2-26.1 QB ALA 28 - HD3 LYS 36 far 0 100 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 91 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 100 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 78 0 - 8.4-23.4 QB ALA 16 - HD2 LYS 26 far 0 62 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 57 0 - 8.7-20.3 QB ALA 110 - HD2 LYS 31 far 0 94 0 - 9.3-28.7 QB ALA 12 - HD2 LYS 36 far 0 81 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 90 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 87 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.8-25.2 HB2 LEU 96 - HD3 LYS 24 far 0 92 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 1033 from cnoeabs.peaks (1.47, 1.67, 28.90 ppm; 3.28 A): 6 out of 48 assignments used, quality = 1.00: HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 62 62 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 60 60 100 100 2.3-3.0 2.9=100 HG13 ILE 32 - HD3 LYS 31 poor 16 52 30 - 2.0-10.3 HG13 ILE 32 - HD2 LYS 26 poor 16 52 30 - 2.5-16.4 HG13 ILE 32 - HD2 LYS 31 poor 13 54 40 60 3.3-9.3 ~9824=4, 6333/6.2=4...(31) HG13 ILE 32 - HD3 LYS 36 poor 13 63 20 - 3.6-8.5 HG13 ILE 32 - HD2 LYS 36 poor 13 63 20 - 4.2-7.8 HG13 ILE 32 - HD3 LYS 26 poor 12 48 25 - 2.0-15.6 HG LEU 42 - HD2 LYS 36 far 8 83 10 - 3.1-12.7 HG3 LYS 19 - HD2 LYS 24 far 7 66 10 - 4.4-17.3 HG3 LYS 19 - HD3 LYS 24 far 6 64 10 - 4.4-17.3 HG2 LYS 31 - HD3 LYS 26 far 6 55 10 - 4.2-17.6 HG3 LYS 36 - HD3 LYS 26 far 4 87 5 - 3.6-25.1 HG LEU 42 - HD3 LYS 36 far 4 83 5 - 3.9-14.1 HG2 LYS 31 - HD2 LYS 26 far 3 60 5 - 3.5-18.0 QB ALA 52 - HD2 LYS 24 far 0 85 0 - 4.8-24.6 HG3 LYS 36 - HD2 LYS 26 far 0 92 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 81 0 - 5.1-23.7 QB ALA 52 - HD3 LYS 24 far 0 83 0 - 5.3-23.6 HG2 LYS 31 - HD3 LYS 36 far 0 71 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 62 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 94 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 92 0 - 5.6-12.6 HG3 LYS 36 - HD2 LYS 31 far 0 94 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 64 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 71 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 69 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 60 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 81 0 - 6.1-24.1 HG3 LYS 19 - HD3 LYS 31 far 0 64 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 92 0 - 6.5-26.8 QB ALA 52 - HD2 LYS 26 far 0 83 0 - 6.6-24.5 HG3 LYS 24 - HD2 LYS 31 far 0 71 0 - 6.7-17.1 HG3 LYS 19 - HD2 LYS 31 far 0 66 0 - 6.8-25.5 HG13 ILE 32 - HD3 LYS 24 far 0 52 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 54 0 - 7.4-16.8 QB ALA 52 - HD2 LYS 31 far 0 85 0 - 7.8-23.8 HG3 LYS 19 - HD3 LYS 26 far 0 59 0 - 7.8-23.0 QB ALA 52 - HD3 LYS 26 far 0 78 0 - 7.9-24.2 HG3 LYS 24 - HD3 LYS 31 far 0 69 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 64 0 - 8.1-22.8 QB ALA 52 - HD2 LYS 36 far 0 95 0 - 8.4-17.8 QB ALA 52 - HD3 LYS 31 far 0 83 0 - 8.6-22.9 QB ALA 52 - HD3 LYS 36 far 0 95 0 - 9.0-17.1 Violated in 0 structures by 0.00 A. Peak 1034 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 * HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 90 90 - 100 HD2 LYS 24 + HD2 LYS 24 OK 90 90 - 100 HD2 LYS 26 + HD2 LYS 26 OK 87 87 - 100 HD3 LYS 31 + HD3 LYS 31 OK 87 87 - 100 HD3 LYS 24 + HD3 LYS 24 OK 87 87 - 100 HD3 LYS 26 + HD3 LYS 26 OK 79 79 - 100 Peak 1035 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 90 90 - 100 HD2 LYS 24 + HD2 LYS 24 OK 90 90 - 100 HD2 LYS 26 + HD2 LYS 26 OK 87 87 - 100 HD3 LYS 31 + HD3 LYS 31 OK 87 87 - 100 HD3 LYS 24 + HD3 LYS 24 OK 87 87 - 100 HD3 LYS 26 + HD3 LYS 26 OK 79 79 - 100 Reference assignment not found: HD3 LYS 36 - HD2 LYS 36 Peak 1036 from cnoeabs.peaks (2.96, 1.67, 28.90 ppm; 3.67 A): 16 out of 90 assignments used, quality = 1.00: * HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.4-3.0 3.0=100 HE3 LYS 26 - HD2 LYS 36 poor 19 97 20 - 2.5-24.7 HB2 CYS 45 - HD3 LYS 36 poor 18 92 20 - 4.1-11.2 HE2 LYS 36 - HD3 LYS 26 poor 17 87 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 17 86 20 - 3.8-24.9 HB2 CYS 45 - HD2 LYS 36 far 14 92 15 - 4.5-10.8 HE3 LYS 19 - HD2 LYS 24 far 14 92 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 14 91 15 - 3.3-25.8 HE3 LYS 19 - HD3 LYS 24 far 13 89 15 - 3.7-17.8 HE2 LYS 31 - HD2 LYS 36 far 10 99 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 10 99 10 - 4.3-13.8 HE2 LYS 26 - HD2 LYS 36 far 10 97 10 - 3.3-25.2 HE3 LYS 26 - HD3 LYS 36 far 10 97 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 10 97 10 - 3.6-14.4 HE2 LYS 36 - HD2 LYS 26 far 9 92 10 - 1.9-25.5 HE2 LYS 19 - HD3 LYS 24 far 9 92 10 - 4.2-18.5 HE2 LYS 26 - HD3 LYS 36 far 5 97 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 5 97 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 31 far 5 94 5 - 4.6-13.1 HE2 LYS 36 - HD3 LYS 31 far 5 92 5 - 4.3-12.0 HE2 LYS 24 - HD3 LYS 31 far 5 92 5 - 4.7-18.8 HE3 LYS 24 - HD3 LYS 31 far 5 91 5 - 5.0-18.2 HE2 LYS 31 - HD2 LYS 26 far 4 89 5 - 3.3-15.6 HE3 LYS 26 - HD3 LYS 31 far 4 87 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 4 87 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 4 87 5 - 4.9-15.3 HE2 LYS 31 - HD3 LYS 26 far 4 84 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 4 82 5 - 4.6-14.9 HE3 LYS 26 - HD2 LYS 31 far 0 89 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 94 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 94 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 91 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 77 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 81 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 93 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 92 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 87 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 94 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 89 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 100 0 - 6.3-25.9 HB3 ASN 116 - HD3 LYS 24 far 0 62 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 93 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 87 0 - 6.6-12.2 HB3 ASN 121 - HD2 LYS 24 far 0 79 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 75 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 80 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 81 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 89 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 93 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 89 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 100 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 89 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 91 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 82 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 24 far 0 87 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 100 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 80 0 - 7.6-23.9 HE3 LYS 24 - HD2 LYS 26 far 0 91 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 80 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 89 0 - 7.7-25.4 HE3 LYS 24 - HD3 LYS 26 far 0 86 0 - 7.8-13.8 HE2 LYS 19 - HD3 LYS 31 far 0 92 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 64 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 100 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 92 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 57 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 92 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 68 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 82 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 89 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 9.0-24.6 HE2 LYS 39 - HD2 LYS 36 far 0 68 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 84 0 - 9.7-24.1 Violated in 0 structures by 0.00 A. Peak 1037 from cnoeabs.peaks (2.96, 1.67, 28.90 ppm; 3.68 A): 16 out of 87 assignments used, quality = 1.00: * HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.4-3.0 3.0=100 HE3 LYS 26 - HD2 LYS 36 poor 20 99 20 - 2.5-24.7 HE3 LYS 36 - HD3 LYS 26 poor 17 87 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 17 86 20 - 2.9-24.6 HB2 CYS 45 - HD3 LYS 36 poor 17 85 20 - 4.1-11.2 HE3 LYS 19 - HD2 LYS 24 far 14 94 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 14 92 15 - 3.3-25.8 HE3 LYS 19 - HD3 LYS 24 far 14 91 15 - 3.7-17.8 HB2 CYS 45 - HD2 LYS 36 far 13 85 15 - 4.5-10.8 HE2 LYS 31 - HD2 LYS 36 far 10 100 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 10 100 10 - 4.3-13.8 HE2 LYS 26 - HD2 LYS 36 far 10 99 10 - 3.3-25.2 HE3 LYS 26 - HD3 LYS 36 far 10 99 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 10 99 10 - 3.6-14.4 HE2 LYS 19 - HD3 LYS 24 far 9 91 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 9 91 10 - 1.9-25.5 HE2 LYS 26 - HD3 LYS 36 far 5 99 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 5 99 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 31 far 5 93 5 - 4.6-13.1 HE3 LYS 24 - HD3 LYS 31 far 5 92 5 - 5.0-18.2 HE2 LYS 31 - HD2 LYS 26 far 5 91 5 - 3.3-15.6 HE2 LYS 36 - HD3 LYS 31 far 5 91 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 5 90 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 90 5 - 4.6-18.1 HE2 LYS 24 - HD3 LYS 31 far 5 90 5 - 4.7-18.8 HE3 LYS 31 - HD2 LYS 26 far 5 90 5 - 4.9-15.3 HE2 LYS 31 - HD3 LYS 26 far 4 86 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 4 85 5 - 4.6-14.9 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 93 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 94 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 92 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 83 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 71 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 94 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 91 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 90 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 92 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 6.3-25.9 HB3 ASN 116 - HD3 LYS 24 far 0 52 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 90 0 - 6.6-12.2 HB3 ASN 121 - HD2 LYS 24 far 0 85 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 68 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 73 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 71 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 92 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 90 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 94 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 99 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 85 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 92 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 92 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 75 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 24 far 0 90 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 100 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 73 0 - 7.6-23.9 HE3 LYS 24 - HD2 LYS 26 far 0 92 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 73 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 91 0 - 7.7-25.4 HE3 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.8-13.8 HE2 LYS 19 - HD3 LYS 31 far 0 91 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 54 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 100 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 94 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 94 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 75 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 91 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 9.0-24.6 HE3 LYS 19 - HD3 LYS 26 far 0 86 0 - 9.7-24.1 Violated in 0 structures by 0.00 A. Peak 1038 from cnoeabs.peaks (7.97, 1.67, 28.90 ppm; 6.42 A): 6 out of 44 assignments used, quality = 1.00: H ILE 37 + HD3 LYS 36 OK 100 100 100 100 1.8-5.7 6405/3.5=99, 6406/3.0=99...(16) * H ILE 37 + HD2 LYS 36 OK 100 100 100 100 3.3-5.2 6405/3.5=99, 6406/3.0=99...(16) H SER 38 + HD3 LYS 36 OK 77 92 90 93 3.9-9.8 6426/10918=46...(9) H SER 38 + HD2 LYS 36 OK 76 92 90 91 5.2-8.5 4.2/10818=47...(9) H LYS 36 + HD2 LYS 36 OK 60 60 100 100 1.9-5.2 6.1=100 H LYS 36 + HD3 LYS 36 OK 60 60 100 100 2.1-4.7 6.1=100 H LYS 36 - HD3 LYS 26 poor 18 46 40 - 5.1-24.6 H LYS 36 - HD2 LYS 26 poor 15 50 30 - 5.2-25.3 H ILE 37 - HD3 LYS 26 far 13 87 15 - 6.8-24.8 H THR 18 - HD2 LYS 31 far 9 92 10 - 4.6-23.2 H ASP 64 - HD2 LYS 31 far 9 91 10 - 6.5-21.2 H THR 18 - HD3 LYS 31 far 9 90 10 - 5.8-24.6 H ASP 64 - HD3 LYS 31 far 9 89 10 - 6.3-20.6 H LYS 36 - HD3 LYS 24 far 5 50 10 - 7.5-25.3 H THR 18 - HD3 LYS 36 far 5 99 5 - 5.7-31.6 H THR 18 - HD2 LYS 36 far 5 99 5 - 6.3-30.9 H ILE 37 - HD2 LYS 26 far 5 92 5 - 7.2-25.5 H ASP 64 - HD2 LYS 24 far 5 91 5 - 7.8-27.4 H THR 18 - HD2 LYS 26 far 5 90 5 - 7.7-20.9 H ASP 64 - HD2 LYS 26 far 4 89 5 - 5.6-23.4 H THR 18 - HD3 LYS 26 far 4 85 5 - 7.5-22.0 H ASP 64 - HD3 LYS 26 far 4 83 5 - 6.5-22.7 H SER 38 - HD2 LYS 26 far 4 80 5 - 7.8-26.3 H SER 51 - HD2 LYS 24 far 4 79 5 - 6.8-31.6 H SER 51 - HD2 LYS 26 far 4 77 5 - 4.2-29.2 H SER 51 - HD3 LYS 26 far 4 71 5 - 5.7-29.1 H LYS 36 - HD2 LYS 24 far 3 52 5 - 7.5-24.6 H LYS 36 - HD2 LYS 31 far 3 52 5 - 7.9-13.3 H THR 18 - HD2 LYS 24 lone 2 92 35 7 5.7-16.2 6144/6154=2, 10683/277=1 H THR 18 - HD3 LYS 24 lone 2 90 30 8 4.1-16.0 6144/6154=3 H ASP 64 - HD3 LYS 24 far 0 89 0 - 8.0-26.4 H SER 51 - HD3 LYS 24 far 0 77 0 - 8.2-30.4 H SER 38 - HD3 LYS 24 far 0 80 0 - 8.2-26.1 H ILE 37 - HD2 LYS 24 far 0 94 0 - 8.3-24.4 H SER 38 - HD2 LYS 24 far 0 82 0 - 8.3-26.6 H SER 94 - HD2 LYS 24 far 0 62 0 - 8.4-33.7 H LYS 36 - HD3 LYS 31 far 0 50 0 - 8.6-13.4 H SER 38 - HD3 LYS 26 far 0 75 0 - 8.7-26.5 H ILE 37 - HD3 LYS 24 far 0 92 0 - 8.7-24.6 H ASP 64 - HD2 LYS 36 far 0 99 0 - 9.1-18.0 H ILE 37 - HD2 LYS 31 far 0 94 0 - 9.1-14.5 H SER 94 - HD3 LYS 24 far 0 60 0 - 9.1-35.3 H ILE 37 - HD3 LYS 31 far 0 92 0 - 9.1-15.3 H ASP 64 - HD3 LYS 36 far 0 99 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 1039 from cnoeabs.peaks (8.00, 1.67, 28.90 ppm; 5.75 A): 6 out of 36 assignments used, quality = 1.00: H LYS 36 + HD2 LYS 36 OK 100 100 100 100 1.9-5.2 6392/3.5=98, 6395/3.0=98...(73) * H LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.7 6392/3.5=98, 6395/3.0=98...(72) H SER 38 + HD3 LYS 36 OK 66 93 80 88 3.9-9.8 6426/10918=42...(9) H ILE 37 + HD3 LYS 36 OK 60 60 100 100 1.8-5.7 6405/3.5=44, 6406/3.0=43...(15) H ILE 37 + HD2 LYS 36 OK 60 60 100 100 3.3-5.2 6405/3.5=44, 6406/3.0=43...(15) H SER 38 + HD2 LYS 36 OK 57 93 70 87 5.2-8.5 4.2/10818=42...(9) H LYS 36 - HD3 LYS 26 poor 17 87 20 - 5.1-24.6 H THR 18 - HD2 LYS 24 poor 17 66 25 - 5.7-16.2 H THR 18 - HD3 LYS 24 poor 16 64 25 - 4.1-16.0 H LYS 36 - HD2 LYS 26 poor 9 92 30 32 5.2-25.3 10892/10837=8...(5) H SER 51 - HD2 LYS 24 far 4 87 5 - 6.8-31.6 H SER 51 - HD2 LYS 26 far 4 84 5 - 4.2-29.2 H SER 51 - HD3 LYS 26 far 4 79 5 - 5.7-29.1 H THR 18 - HD3 LYS 36 far 4 76 5 - 5.7-31.6 H THR 18 - HD2 LYS 36 far 4 76 5 - 6.3-30.9 H THR 18 - HD2 LYS 31 far 3 66 5 - 4.6-23.2 H THR 18 - HD3 LYS 31 far 3 64 5 - 5.8-24.6 H ILE 37 - HD2 LYS 26 far 2 50 5 - 7.2-25.5 H ILE 37 - HD3 LYS 26 far 2 46 5 - 6.8-24.8 H THR 18 - HD3 LYS 26 far 0 59 0 - 7.5-22.0 H LYS 36 - HD3 LYS 24 far 0 92 0 - 7.5-25.3 H LYS 36 - HD2 LYS 24 far 0 94 0 - 7.5-24.6 H THR 18 - HD2 LYS 26 far 0 64 0 - 7.7-20.9 H SER 38 - HD2 LYS 26 far 0 82 0 - 7.8-26.3 H LYS 36 - HD2 LYS 31 far 0 94 0 - 7.9-13.3 H SER 51 - HD3 LYS 24 far 0 84 0 - 8.2-30.4 H SER 38 - HD3 LYS 24 far 0 82 0 - 8.2-26.1 H ILE 37 - HD2 LYS 24 far 0 52 0 - 8.3-24.4 H SER 38 - HD2 LYS 24 far 0 84 0 - 8.3-26.6 H SER 94 - HD2 LYS 24 far 0 93 0 - 8.4-33.7 H LYS 36 - HD3 LYS 31 far 0 92 0 - 8.6-13.4 H SER 38 - HD3 LYS 26 far 0 76 0 - 8.7-26.5 H ILE 37 - HD3 LYS 24 far 0 50 0 - 8.7-24.6 H ILE 37 - HD2 LYS 31 far 0 52 0 - 9.1-14.5 H SER 94 - HD3 LYS 24 far 0 91 0 - 9.1-35.3 H ILE 37 - HD3 LYS 31 far 0 50 0 - 9.1-15.3 Violated in 0 structures by 0.00 A. Peak 1040 from cnoeabs.peaks (4.27, 1.67, 28.90 ppm; 4.42 A): 16 out of 114 assignments used, quality = 1.00: HA LYS 36 + HD2 LYS 36 OK 100 100 100 100 3.5-5.3 5.3=59, 3.0/1031=40...(35) * HA LYS 36 + HD3 LYS 36 OK 100 100 100 100 3.0-5.3 5.3=59, 3.0/1042=40...(34) HA LYS 31 + HD2 LYS 31 OK 93 94 100 99 2.0-5.4 5.2=61, ~6332=29...(38) HA LYS 31 + HD3 LYS 31 OK 91 92 100 99 2.0-4.9 5.2=61, ~6332=29...(38) HA LYS 26 + HD2 LYS 26 OK 89 90 100 99 2.1-5.4 5.0=70, ~6252=37...(33) HA LYS 26 + HD3 LYS 26 OK 84 85 100 99 2.1-5.1 5.0=70, ~6252=37...(33) HA THR 25 + HD2 LYS 24 OK 43 81 55 96 2.7-7.9 11128/3.5=30, ~6234=26...(26) HA THR 25 + HD3 LYS 24 OK 42 78 55 96 3.3-8.1 11128/3.5=30, ~6234=26...(25) HA THR 25 + HD2 LYS 26 OK 36 78 50 93 3.7-8.6 582/5.7=37, 11128/3.5=24...(22) HA THR 25 + HD3 LYS 26 OK 31 73 45 93 4.5-8.0 582/5.7=37, 11128/3.5=24...(22) HA LYS 19 + HD3 LYS 24 OK 31 89 40 86 2.2-14.1 822/3.0=5, 793/3.0=4...(79) HA LYS 19 + HD2 LYS 24 OK 29 91 35 90 3.3-14.3 822/3.0=5, 793/3.0=4...(114) HA LYS 31 + HD3 LYS 26 OK 26 87 30 98 4.2-17.5 3.0/6335=6, 790/3.5=4...(182) HA LYS 31 + HD2 LYS 26 OK 23 92 25 99 4.7-17.2 3.0/6335=6, ~6336=4...(188) HA ARG 23 + HD2 LYS 26 OK 22 86 45 56 3.1-12.9 6240/6236=3, 627/2.9=2...(14) HA LYS 26 + HD2 LYS 31 OK 22 92 25 93 2.5-14.0 790/3.5=7, 822/2.9=6...(115) HA ARG 23 - HD3 LYS 26 poor 19 80 40 60 3.6-13.1 4.9/11449=8, 4.9/11449=7...(16) HA LYS 26 - HD3 LYS 31 poor 18 90 20 - 4.2-13.7 HA ARG 23 - HD2 LYS 24 poor 17 88 30 65 3.9-8.4 424/5.9=36, ~821=7...(16) HA ARG 23 - HD3 LYS 24 poor 17 86 30 65 3.5-8.6 424/5.9=36, ~821=7...(17) HA ALA 21 - HD2 LYS 24 poor 16 82 20 - 3.9-12.1 HA ALA 21 - HD3 LYS 24 poor 16 80 20 - 3.1-12.2 HA LYS 31 - HD2 LYS 36 far 15 100 15 - 4.5-11.5 HA THR 25 - HD2 LYS 31 far 12 81 15 - 4.3-15.2 HA THR 18 - HD3 LYS 24 far 12 77 15 - 2.0-15.2 HA LEU 22 - HD2 LYS 24 poor 10 92 30 37 2.8-10.2 11967/3.0=8, 6212/5.9=7...(10) HA LYS 36 - HD2 LYS 26 far 9 92 10 - 4.9-28.2 HA LYS 36 - HD3 LYS 26 far 9 87 10 - 5.8-27.5 HA ALA 15 - HD3 LYS 31 far 9 87 10 - 5.3-25.6 HA LEU 22 - HD3 LYS 24 poor 8 89 25 37 3.9-9.9 11967/3.0=8, 6212/5.9=7...(10) HA THR 25 - HD3 LYS 31 far 8 78 10 - 4.3-14.5 HA LYS 31 - HD3 LYS 36 far 5 100 5 - 5.5-11.8 HA ALA 16 - HD2 LYS 31 far 5 94 5 - 4.9-27.6 HA ALA 21 - HD3 LYS 36 far 5 92 5 - 5.2-27.3 HA ALA 21 - HD2 LYS 36 far 5 92 5 - 5.3-26.7 HA ALA 108 - HD2 LYS 26 far 5 92 5 - 4.8-33.2 HA THR 25 - HD2 LYS 36 far 5 90 5 - 4.6-21.6 HA GLN 61 - HD2 LYS 26 far 5 90 5 - 4.2-27.0 HA THR 25 - HD3 LYS 36 far 5 90 5 - 5.9-22.2 HA LYS 26 - HD3 LYS 24 far 5 90 5 - 4.6-10.7 HA LEU 22 - HD2 LYS 26 far 4 89 5 - 5.5-15.0 HA ALA 15 - HD2 LYS 24 far 4 89 5 - 5.4-22.2 HA ALA 15 - HD2 LYS 31 far 4 89 5 - 5.7-24.6 HA ARG 23 - HD2 LYS 31 far 4 88 5 - 5.6-16.4 HA ALA 15 - HD3 LYS 24 far 4 87 5 - 5.0-21.8 HA ALA 109 - HD3 LYS 26 far 4 87 5 - 4.8-33.6 HA GLN 61 - HD3 LYS 26 far 4 85 5 - 4.2-26.3 HA ALA 110 - HD3 LYS 26 far 4 83 5 - 4.9-35.3 HA THR 18 - HD2 LYS 24 far 4 79 5 - 3.6-15.2 HA THR 18 - HD2 LYS 31 far 4 79 5 - 4.8-23.0 HA THR 18 - HD3 LYS 31 far 4 77 5 - 4.8-24.1 HA ALA 21 - HD3 LYS 26 far 4 75 5 - 5.8-15.9 HA GLN 61 - HD3 LYS 31 far 0 90 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 94 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 92 0 - 6.0-10.6 HA ALA 109 - HD2 LYS 26 far 0 92 0 - 6.1-34.6 HA ALA 108 - HD3 LYS 26 far 0 87 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 86 0 - 6.2-17.8 HA ALA 16 - HD3 LYS 31 far 0 92 0 - 6.3-29.1 HA LEU 22 - HD3 LYS 26 far 0 84 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 92 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 88 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 83 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 92 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 89 0 - 6.7-32.3 HA THR 18 - HD3 LYS 36 far 0 89 0 - 6.8-33.0 HA GLN 61 - HD3 LYS 24 far 0 90 0 - 6.8-25.3 HA ALA 12 - HD3 LYS 24 far 0 87 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 94 0 - 7.0-16.1 HA LYS 26 - HD2 LYS 36 far 0 99 0 - 7.0-20.6 HA ALA 16 - HD3 LYS 36 far 0 100 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 94 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 99 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 78 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 80 0 - 7.2-16.4 HA LYS 19 - HD3 LYS 31 far 0 89 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 92 0 - 7.5-26.2 HA ALA 108 - HD3 LYS 24 far 0 92 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 97 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 97 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 89 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 92 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 92 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 89 0 - 7.7-20.2 HA LYS 31 - HD2 LYS 24 far 0 94 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 91 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 92 0 - 8.1-19.6 HA ALA 15 - HD3 LYS 26 far 0 82 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 94 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 71 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 87 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 81 0 - 8.3-23.9 HA ALA 15 - HD3 LYS 36 far 0 97 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 92 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 100 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 92 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 99 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 99 0 - 8.5-27.7 HA LYS 19 - HD3 LYS 36 far 0 99 0 - 8.7-31.8 HA THR 18 - HD2 LYS 26 far 0 77 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 82 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 99 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 87 0 - 9.1-23.9 HA LEU 22 - HD3 LYS 31 far 0 89 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 80 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 92 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 94 0 - 9.5-32.1 HA ALA 12 - HD2 LYS 31 far 0 89 0 - 9.6-26.0 HA ALA 12 - HD3 LYS 31 far 0 87 0 - 9.7-27.0 HA ALA 109 - HD2 LYS 24 far 0 94 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 87 0 - 9.8-33.3 HA ALA 16 - HD2 LYS 26 far 0 92 0 - 9.9-24.2 HA LEU 22 - HD3 LYS 36 far 0 99 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 97 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 1041 from cnoeabs.peaks (1.82, 1.67, 28.90 ppm; 4.10 A): 16 out of 59 assignments used, quality = 1.00: HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-4.2 3.5=100 * HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.0 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-4.2 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 93 93 100 100 2.5-4.2 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.2-4.0 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.0-4.1 3.5=100 HB ILE 32 + HD2 LYS 36 OK 65 100 65 99 2.1-6.8 2.1/10837=31, ~10901=29...(53) HB ILE 32 + HD3 LYS 36 OK 60 100 60 99 2.3-8.3 2.1/10837=29, ~10901=29...(56) HB3 LYS 31 + HD2 LYS 26 OK 35 91 40 96 2.9-17.3 629/2.9=7, 640/2.9=5...(131) HB3 LYS 31 + HD3 LYS 26 OK 32 86 40 94 3.4-17.4 629/2.9=7, 640/2.9=5...(101) HB3 LYS 19 + HD2 LYS 24 OK 29 93 35 89 2.0-16.0 824/3.0=3, 2631=3...(112) HB3 LYS 26 + HD2 LYS 31 OK 27 94 30 97 4.2-14.4 10769/10771=15...(184) HB3 LYS 19 + HD3 LYS 24 OK 27 91 35 84 3.5-15.3 2631=3, 824/3.0=3...(80) HB ILE 32 + HD3 LYS 31 OK 23 92 30 85 4.1-9.2 3.0/10763=9, 10752/5.2=7...(51) HB ILE 32 - HD3 LYS 26 poor 18 87 25 85 4.0-17.6 2.9/10767=10...(43) HB2 LYS 36 - HD2 LYS 26 poor 18 92 20 - 5.1-27.9 HB ILE 32 - HD2 LYS 26 poor 18 92 20 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 poor 18 92 20 - 4.5-14.4 HB3 ARG 23 - HD2 LYS 26 poor 18 90 35 57 2.9-14.2 442/5.7=4, ~11618=4...(18) HB2 LYS 36 - HD3 LYS 26 poor 17 87 20 - 4.4-27.1 HB3 ARG 23 - HD3 LYS 26 poor 16 85 30 61 2.9-14.6 3.7/11449=9, 3.7/11449=7...(14) HB3 LYS 24 - HD3 LYS 36 far 10 100 10 - 5.5-25.2 HB3 ARG 23 - HD3 LYS 24 far 9 90 10 - 5.2-9.3 HB3 LYS 24 - HD2 LYS 36 far 5 100 5 - 4.2-24.7 HB3 ARG 23 - HD3 LYS 36 far 5 99 5 - 4.9-23.1 HB2 LYS 36 - HD2 LYS 31 far 5 94 5 - 5.0-15.5 HB ILE 32 - HD2 LYS 31 far 5 94 5 - 5.5-9.5 HB3 LYS 26 - HD2 LYS 24 far 5 94 5 - 5.1-12.6 HB3 LYS 24 - HD2 LYS 31 far 5 94 5 - 5.4-17.9 HB3 LYS 26 - HD3 LYS 24 far 5 92 5 - 3.7-12.3 HB2 LYS 36 - HD2 LYS 24 far 0 94 0 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 0 99 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 92 0 - 5.9-14.3 HB3 ARG 23 - HD2 LYS 24 far 0 92 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 91 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 93 0 - 6.0-24.2 HB3 ARG 23 - HD2 LYS 31 far 0 92 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 90 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 91 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 91 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 91 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 86 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.9 HB3 LYS 31 - HD3 LYS 24 far 0 91 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 92 0 - 6.9-28.2 HB ILE 32 - HD3 LYS 24 far 0 92 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 100 0 - 7.1-13.3 HB3 LEU 122 - HD3 LYS 24 far 0 64 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 93 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 26 far 0 86 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 24 far 0 66 0 - 8.2-31.5 HB ILE 32 - HD2 LYS 24 far 0 94 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 57 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 78 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 36 far 0 78 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 1042 from cnoeabs.peaks (1.88, 1.67, 28.90 ppm; 3.43 A): 2 out of 25 assignments used, quality = 1.00: HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-4.0 3.5=94, 6393/6.1=17...(76) * HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.2 3.5=94, 6393/6.1=17...(76) HB3 LYS 36 - HD2 LYS 24 far 5 94 5 - 4.4-26.5 HB2 GLU 40 - HD3 LYS 36 far 5 92 5 - 4.5-16.9 HB2 GLU 40 - HD2 LYS 24 far 4 82 5 - 4.0-32.8 HB2 GLU 40 - HD3 LYS 24 far 4 80 5 - 3.0-31.2 HB3 LEU 48 - HD2 LYS 24 far 0 89 0 - 5.1-30.4 HB3 LYS 36 - HD3 LYS 26 far 0 87 0 - 5.3-26.4 HB2 GLU 40 - HD2 LYS 36 far 0 92 0 - 5.4-16.0 HB3 LYS 36 - HD2 LYS 26 far 0 92 0 - 5.4-27.2 HB3 LEU 48 - HD3 LYS 24 far 0 87 0 - 5.5-29.0 HB3 LYS 36 - HD2 LYS 31 far 0 94 0 - 5.7-14.8 HB3 LYS 36 - HD3 LYS 24 far 0 92 0 - 5.8-27.0 HB3 LEU 48 - HD2 LYS 31 far 0 89 0 - 6.1-25.6 HB3 LEU 48 - HD3 LYS 36 far 0 97 0 - 6.4-16.2 HB3 LEU 48 - HD3 LYS 26 far 0 82 0 - 6.7-28.3 HB3 LEU 48 - HD2 LYS 36 far 0 97 0 - 6.8-17.8 HB3 LYS 36 - HD3 LYS 31 far 0 92 0 - 6.9-14.6 HB2 GLU 40 - HD2 LYS 31 far 0 82 0 - 7.1-25.0 HB3 LEU 48 - HD3 LYS 31 far 0 87 0 - 7.1-24.4 HB3 LEU 48 - HD2 LYS 26 far 0 87 0 - 7.3-28.7 HB2 GLU 40 - HD3 LYS 31 far 0 80 0 - 7.9-23.3 HB2 GLU 40 - HD2 LYS 26 far 0 80 0 - 7.9-32.4 HB2 GLU 40 - HD3 LYS 26 far 0 75 0 - 8.2-32.0 HB3 LEU 119 - HD3 LYS 24 far 0 84 0 - 9.3-33.5 Violated in 1 structures by 0.00 A. Peak 1043 from cnoeabs.peaks (1.38, 1.67, 28.90 ppm; 3.85 A): 8 out of 98 assignments used, quality = 1.00: * HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.2-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.3-3.0 2.9=100 HG2 LYS 19 - HD3 LYS 24 poor 20 78 25 - 2.7-16.9 QB ALA 15 - HD3 LYS 31 poor 18 92 20 - 3.8-22.6 HG2 LYS 19 - HD2 LYS 24 poor 16 81 25 78 3.0-17.8 3.0/2631=2, 276=2...(27) QB ALA 29 - HD2 LYS 31 far 14 94 15 - 2.5-9.8 HG3 LYS 26 - HD3 LYS 31 far 14 92 15 - 3.4-15.4 QB ALA 28 - HD3 LYS 24 far 14 91 15 - 4.8-12.7 HG3 LYS 31 - HD2 LYS 26 far 13 87 15 - 4.8-17.0 HB2 LEU 42 - HD3 LYS 36 far 10 100 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 10 100 10 - 4.0-11.4 HG3 LYS 26 - HD2 LYS 36 far 10 100 10 - 4.8-22.9 HG3 LYS 31 - HD2 LYS 36 far 10 97 10 - 4.8-13.4 QB ALA 28 - HD2 LYS 24 far 9 94 10 - 4.4-13.3 QB ALA 29 - HD2 LYS 26 far 9 92 10 - 4.7-11.1 QB ALA 29 - HD3 LYS 31 poor 9 92 30 32 3.0-9.8 ~10782=16, 3.7/7749=4...(8) QB ALA 29 - HD3 LYS 26 far 9 87 10 - 4.5-11.4 QB ALA 28 - HD2 LYS 31 poor 9 94 25 37 2.1-10.6 6304/10771=19, ~10771=12...(4) QB ALA 28 - HD3 LYS 31 poor 8 91 25 36 2.9-9.7 6304/10771=16, ~10771=14...(5) HG3 LYS 31 - HD3 LYS 26 far 8 82 10 - 3.0-16.8 QB ALA 12 - HD3 LYS 24 far 7 69 10 - 4.3-18.1 QB ALA 29 - HD3 LYS 36 far 5 100 5 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 5 100 5 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 5 100 5 - 5.3-25.5 HG3 LYS 31 - HD3 LYS 36 far 5 97 5 - 4.6-13.4 HG3 LYS 26 - HD2 LYS 31 far 5 94 5 - 3.6-15.7 QB ALA 15 - HD2 LYS 31 far 5 94 5 - 3.6-21.3 QB ALA 15 - HD2 LYS 24 far 5 94 5 - 4.1-17.3 QB ALA 29 - HD2 LYS 24 far 5 94 5 - 5.3-13.3 HG3 LYS 26 - HD2 LYS 24 far 5 94 5 - 5.3-11.0 QB ALA 108 - HD2 LYS 24 far 5 93 5 - 5.1-33.9 HG3 LYS 95 - HD2 LYS 24 far 5 93 5 - 3.4-37.4 HG3 LYS 26 - HD3 LYS 24 far 5 92 5 - 3.7-11.0 QB ALA 15 - HD3 LYS 24 far 5 92 5 - 3.5-17.1 QB ALA 110 - HD2 LYS 26 far 5 92 5 - 3.6-30.2 QB ALA 29 - HD3 LYS 24 far 5 92 5 - 5.3-12.6 HG2 LYS 95 - HD2 LYS 24 far 5 92 5 - 4.4-37.2 QB ALA 108 - HD3 LYS 24 far 5 91 5 - 4.5-33.1 HG3 LYS 95 - HD3 LYS 24 far 5 91 5 - 3.7-36.4 HG2 LYS 95 - HD3 LYS 24 far 4 89 5 - 4.1-36.2 QB ALA 109 - HD2 LYS 26 far 4 89 5 - 4.4-27.7 QB ALA 110 - HD3 LYS 26 far 4 87 5 - 2.4-29.3 HG2 LYS 36 - HD3 LYS 26 far 4 87 5 - 5.1-24.7 HG2 LYS 24 - HD3 LYS 26 far 4 87 5 - 5.2-11.4 QB ALA 108 - HD3 LYS 26 far 4 86 5 - 4.8-26.0 QB ALA 109 - HD3 LYS 26 far 4 83 5 - 5.1-28.1 QB ALA 16 - HD2 LYS 24 far 3 64 5 - 4.9-17.1 QB ALA 16 - HD2 LYS 31 far 3 64 5 - 5.3-24.0 QB ALA 28 - HD2 LYS 26 far 0 91 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 71 0 - 5.6-18.4 QB ALA 16 - HD3 LYS 24 far 0 62 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 92 0 - 5.8-11.1 HG2 LYS 36 - HD2 LYS 26 far 0 92 0 - 5.9-25.5 HG3 LYS 31 - HD3 LYS 24 far 0 87 0 - 5.9-16.5 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 89 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 91 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 86 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 94 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 62 0 - 6.3-25.2 QB ALA 12 - HD3 LYS 31 far 0 69 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 100 0 - 6.6-25.9 QB ALA 12 - HD2 LYS 31 far 0 71 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 92 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 73 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 94 0 - 7.0-25.5 HG2 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 92 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 94 0 - 7.0-16.7 QB ALA 15 - HD2 LYS 26 far 0 92 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 100 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 78 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 87 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 73 0 - 7.7-25.0 QB ALA 108 - HD2 LYS 31 far 0 93 0 - 7.7-26.1 HG2 LYS 19 - HD3 LYS 26 far 0 73 0 - 7.8-23.7 QB ALA 109 - HD3 LYS 24 far 0 89 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 92 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 100 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 91 0 - 8.2-26.1 QB ALA 28 - HD3 LYS 36 far 0 100 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 91 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 100 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 78 0 - 8.4-23.4 QB ALA 16 - HD2 LYS 26 far 0 62 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 57 0 - 8.7-20.3 QB ALA 110 - HD2 LYS 31 far 0 94 0 - 9.3-28.7 QB ALA 12 - HD2 LYS 36 far 0 81 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 90 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 87 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.8-25.2 HB2 LEU 96 - HD3 LYS 24 far 0 92 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 1044 from cnoeabs.peaks (1.47, 1.67, 28.90 ppm; 3.28 A): 6 out of 48 assignments used, quality = 1.00: * HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 31 OK 62 62 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 60 60 100 100 2.3-3.0 2.9=100 HG13 ILE 32 - HD3 LYS 31 poor 16 52 30 - 2.0-10.3 HG13 ILE 32 - HD2 LYS 26 poor 16 52 30 - 2.5-16.4 HG13 ILE 32 - HD2 LYS 31 poor 13 54 40 60 3.3-9.3 ~9824=4, 6333/6.2=4...(31) HG13 ILE 32 - HD3 LYS 36 poor 13 63 20 - 3.6-8.5 HG13 ILE 32 - HD2 LYS 36 poor 13 63 20 - 4.2-7.8 HG13 ILE 32 - HD3 LYS 26 poor 12 48 25 - 2.0-15.6 HG LEU 42 - HD2 LYS 36 far 8 83 10 - 3.1-12.7 HG3 LYS 19 - HD2 LYS 24 far 7 66 10 - 4.4-17.3 HG3 LYS 19 - HD3 LYS 24 far 6 64 10 - 4.4-17.3 HG2 LYS 31 - HD3 LYS 26 far 6 55 10 - 4.2-17.6 HG3 LYS 36 - HD3 LYS 26 far 4 87 5 - 3.6-25.1 HG LEU 42 - HD3 LYS 36 far 4 83 5 - 3.9-14.1 HG2 LYS 31 - HD2 LYS 26 far 3 60 5 - 3.5-18.0 QB ALA 52 - HD2 LYS 24 far 0 85 0 - 4.8-24.6 HG3 LYS 36 - HD2 LYS 26 far 0 92 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 81 0 - 5.1-23.7 QB ALA 52 - HD3 LYS 24 far 0 83 0 - 5.3-23.6 HG2 LYS 31 - HD3 LYS 36 far 0 71 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 62 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 94 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 92 0 - 5.6-12.6 HG3 LYS 36 - HD2 LYS 31 far 0 94 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 64 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 71 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 69 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 60 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 81 0 - 6.1-24.1 HG3 LYS 19 - HD3 LYS 31 far 0 64 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 92 0 - 6.5-26.8 QB ALA 52 - HD2 LYS 26 far 0 83 0 - 6.6-24.5 HG3 LYS 24 - HD2 LYS 31 far 0 71 0 - 6.7-17.1 HG3 LYS 19 - HD2 LYS 31 far 0 66 0 - 6.8-25.5 HG13 ILE 32 - HD3 LYS 24 far 0 52 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 54 0 - 7.4-16.8 QB ALA 52 - HD2 LYS 31 far 0 85 0 - 7.8-23.8 HG3 LYS 19 - HD3 LYS 26 far 0 59 0 - 7.8-23.0 QB ALA 52 - HD3 LYS 26 far 0 78 0 - 7.9-24.2 HG3 LYS 24 - HD3 LYS 31 far 0 69 0 - 8.0-18.6 HG3 LYS 19 - HD2 LYS 26 far 0 64 0 - 8.1-22.8 QB ALA 52 - HD2 LYS 36 far 0 95 0 - 8.4-17.8 QB ALA 52 - HD3 LYS 31 far 0 83 0 - 8.6-22.9 QB ALA 52 - HD3 LYS 36 far 0 95 0 - 9.0-17.1 Violated in 0 structures by 0.00 A. Peak 1045 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 90 90 - 100 HD2 LYS 24 + HD2 LYS 24 OK 90 90 - 100 HD2 LYS 26 + HD2 LYS 26 OK 87 87 - 100 HD3 LYS 31 + HD3 LYS 31 OK 87 87 - 100 HD3 LYS 24 + HD3 LYS 24 OK 87 87 - 100 HD3 LYS 26 + HD3 LYS 26 OK 79 79 - 100 Reference assignment not found: HD2 LYS 36 - HD3 LYS 36 Peak 1046 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 90 90 - 100 HD2 LYS 24 + HD2 LYS 24 OK 90 90 - 100 HD2 LYS 26 + HD2 LYS 26 OK 87 87 - 100 HD3 LYS 31 + HD3 LYS 31 OK 87 87 - 100 HD3 LYS 24 + HD3 LYS 24 OK 87 87 - 100 HD3 LYS 26 + HD3 LYS 26 OK 79 79 - 100 Peak 1047 from cnoeabs.peaks (2.96, 1.67, 28.90 ppm; 3.67 A): 16 out of 90 assignments used, quality = 1.00: HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 87 87 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.4-3.0 3.0=100 HE3 LYS 26 - HD2 LYS 36 poor 19 97 20 - 2.5-24.7 HB2 CYS 45 - HD3 LYS 36 poor 18 92 20 - 4.1-11.2 HE2 LYS 36 - HD3 LYS 26 poor 17 87 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 17 86 20 - 3.8-24.9 HB2 CYS 45 - HD2 LYS 36 far 14 92 15 - 4.5-10.8 HE3 LYS 19 - HD2 LYS 24 far 14 92 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 14 91 15 - 3.3-25.8 HE3 LYS 19 - HD3 LYS 24 far 13 89 15 - 3.7-17.8 HE2 LYS 31 - HD2 LYS 36 far 10 99 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 10 99 10 - 4.3-13.8 HE2 LYS 26 - HD2 LYS 36 far 10 97 10 - 3.3-25.2 HE3 LYS 26 - HD3 LYS 36 far 10 97 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 10 97 10 - 3.6-14.4 HE2 LYS 36 - HD2 LYS 26 far 9 92 10 - 1.9-25.5 HE2 LYS 19 - HD3 LYS 24 far 9 92 10 - 4.2-18.5 HE2 LYS 26 - HD3 LYS 36 far 5 97 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 5 97 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 31 far 5 94 5 - 4.6-13.1 HE2 LYS 36 - HD3 LYS 31 far 5 92 5 - 4.3-12.0 HE2 LYS 24 - HD3 LYS 31 far 5 92 5 - 4.7-18.8 HE3 LYS 24 - HD3 LYS 31 far 5 91 5 - 5.0-18.2 HE2 LYS 31 - HD2 LYS 26 far 4 89 5 - 3.3-15.6 HE3 LYS 26 - HD3 LYS 31 far 4 87 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 4 87 5 - 4.6-18.1 HE3 LYS 31 - HD2 LYS 26 far 4 87 5 - 4.9-15.3 HE2 LYS 31 - HD3 LYS 26 far 4 84 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 4 82 5 - 4.6-14.9 HE3 LYS 26 - HD2 LYS 31 far 0 89 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 94 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 94 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 91 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 77 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 81 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 93 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 92 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 87 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 94 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 89 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 100 0 - 6.3-25.9 HB3 ASN 116 - HD3 LYS 24 far 0 62 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 93 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 87 0 - 6.6-12.2 HB3 ASN 121 - HD2 LYS 24 far 0 79 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 75 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 80 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 81 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 89 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 93 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 89 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 100 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 89 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 91 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 82 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 24 far 0 87 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 100 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 80 0 - 7.6-23.9 HE3 LYS 24 - HD2 LYS 26 far 0 91 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 80 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 89 0 - 7.7-25.4 HE3 LYS 24 - HD3 LYS 26 far 0 86 0 - 7.8-13.8 HE2 LYS 19 - HD3 LYS 31 far 0 92 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 64 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 100 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 92 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 57 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 92 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 68 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 82 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 89 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 9.0-24.6 HE2 LYS 39 - HD2 LYS 36 far 0 68 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 84 0 - 9.7-24.1 Violated in 0 structures by 0.00 A. Peak 1048 from cnoeabs.peaks (2.96, 1.67, 28.90 ppm; 3.68 A): 16 out of 87 assignments used, quality = 1.00: HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 90 90 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.4-3.0 3.0=100 HE3 LYS 26 - HD2 LYS 36 poor 20 99 20 - 2.5-24.7 HE3 LYS 36 - HD3 LYS 26 poor 17 87 20 - 3.8-24.9 HE2 LYS 36 - HD3 LYS 26 poor 17 86 20 - 2.9-24.6 HB2 CYS 45 - HD3 LYS 36 poor 17 85 20 - 4.1-11.2 HE3 LYS 19 - HD2 LYS 24 far 14 94 15 - 3.9-18.3 HE3 LYS 36 - HD2 LYS 26 far 14 92 15 - 3.3-25.8 HE3 LYS 19 - HD3 LYS 24 far 14 91 15 - 3.7-17.8 HB2 CYS 45 - HD2 LYS 36 far 13 85 15 - 4.5-10.8 HE2 LYS 31 - HD2 LYS 36 far 10 100 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 10 100 10 - 4.3-13.8 HE2 LYS 26 - HD2 LYS 36 far 10 99 10 - 3.3-25.2 HE3 LYS 26 - HD3 LYS 36 far 10 99 10 - 3.6-25.8 HE3 LYS 31 - HD2 LYS 36 far 10 99 10 - 3.6-14.4 HE2 LYS 19 - HD3 LYS 24 far 9 91 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 9 91 10 - 1.9-25.5 HE2 LYS 26 - HD3 LYS 36 far 5 99 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 5 99 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 31 far 5 93 5 - 4.6-13.1 HE3 LYS 24 - HD3 LYS 31 far 5 92 5 - 5.0-18.2 HE2 LYS 31 - HD2 LYS 26 far 5 91 5 - 3.3-15.6 HE2 LYS 36 - HD3 LYS 31 far 5 91 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 5 90 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 90 5 - 4.6-18.1 HE2 LYS 24 - HD3 LYS 31 far 5 90 5 - 4.7-18.8 HE3 LYS 31 - HD2 LYS 26 far 5 90 5 - 4.9-15.3 HE2 LYS 31 - HD3 LYS 26 far 4 86 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 4 85 5 - 4.6-14.9 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 93 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 94 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 92 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 83 0 - 5.3-34.8 HG CYS 73 - HD2 LYS 36 far 0 71 0 - 5.3-13.3 HE3 LYS 36 - HD2 LYS 31 far 0 94 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 91 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 90 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 92 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 6.3-25.9 HB3 ASN 116 - HD3 LYS 24 far 0 52 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 90 0 - 6.6-12.2 HB3 ASN 121 - HD2 LYS 24 far 0 85 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 68 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 73 0 - 6.8-18.5 HG CYS 73 - HD3 LYS 36 far 0 71 0 - 6.8-13.6 HE2 LYS 26 - HD2 LYS 24 far 0 92 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 90 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 94 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 99 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 85 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 92 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 92 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 75 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 24 far 0 90 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 100 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 73 0 - 7.6-23.9 HE3 LYS 24 - HD2 LYS 26 far 0 92 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 73 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 91 0 - 7.7-25.4 HE3 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.8-13.8 HE2 LYS 19 - HD3 LYS 31 far 0 91 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 54 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 100 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 94 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 94 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 75 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 91 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 94 0 - 9.0-24.6 HE3 LYS 19 - HD3 LYS 26 far 0 86 0 - 9.7-24.1 Violated in 0 structures by 0.00 A. Peak 1049 from cnoeabs.peaks (7.97, 1.67, 28.90 ppm; 6.42 A): 6 out of 44 assignments used, quality = 1.00: * H ILE 37 + HD3 LYS 36 OK 100 100 100 100 1.8-5.7 6405/3.5=99, 6406/3.0=99...(16) H ILE 37 + HD2 LYS 36 OK 100 100 100 100 3.3-5.2 6405/3.5=99, 6406/3.0=99...(16) H SER 38 + HD3 LYS 36 OK 77 92 90 93 3.9-9.8 6426/10918=46...(9) H SER 38 + HD2 LYS 36 OK 76 92 90 91 5.2-8.5 4.2/10818=47...(9) H LYS 36 + HD2 LYS 36 OK 60 60 100 100 1.9-5.2 6.1=100 H LYS 36 + HD3 LYS 36 OK 60 60 100 100 2.1-4.7 6.1=100 H LYS 36 - HD3 LYS 26 poor 18 46 40 - 5.1-24.6 H LYS 36 - HD2 LYS 26 poor 15 50 30 - 5.2-25.3 H ILE 37 - HD3 LYS 26 far 13 87 15 - 6.8-24.8 H THR 18 - HD2 LYS 31 far 9 92 10 - 4.6-23.2 H ASP 64 - HD2 LYS 31 far 9 91 10 - 6.5-21.2 H THR 18 - HD3 LYS 31 far 9 90 10 - 5.8-24.6 H ASP 64 - HD3 LYS 31 far 9 89 10 - 6.3-20.6 H LYS 36 - HD3 LYS 24 far 5 50 10 - 7.5-25.3 H THR 18 - HD3 LYS 36 far 5 99 5 - 5.7-31.6 H THR 18 - HD2 LYS 36 far 5 99 5 - 6.3-30.9 H ILE 37 - HD2 LYS 26 far 5 92 5 - 7.2-25.5 H ASP 64 - HD2 LYS 24 far 5 91 5 - 7.8-27.4 H THR 18 - HD2 LYS 26 far 5 90 5 - 7.7-20.9 H ASP 64 - HD2 LYS 26 far 4 89 5 - 5.6-23.4 H THR 18 - HD3 LYS 26 far 4 85 5 - 7.5-22.0 H ASP 64 - HD3 LYS 26 far 4 83 5 - 6.5-22.7 H SER 38 - HD2 LYS 26 far 4 80 5 - 7.8-26.3 H SER 51 - HD2 LYS 24 far 4 79 5 - 6.8-31.6 H SER 51 - HD2 LYS 26 far 4 77 5 - 4.2-29.2 H SER 51 - HD3 LYS 26 far 4 71 5 - 5.7-29.1 H LYS 36 - HD2 LYS 24 far 3 52 5 - 7.5-24.6 H LYS 36 - HD2 LYS 31 far 3 52 5 - 7.9-13.3 H THR 18 - HD2 LYS 24 lone 2 92 35 7 5.7-16.2 6144/6154=2, 10683/277=1 H THR 18 - HD3 LYS 24 lone 2 90 30 8 4.1-16.0 6144/6154=3 H ASP 64 - HD3 LYS 24 far 0 89 0 - 8.0-26.4 H SER 51 - HD3 LYS 24 far 0 77 0 - 8.2-30.4 H SER 38 - HD3 LYS 24 far 0 80 0 - 8.2-26.1 H ILE 37 - HD2 LYS 24 far 0 94 0 - 8.3-24.4 H SER 38 - HD2 LYS 24 far 0 82 0 - 8.3-26.6 H SER 94 - HD2 LYS 24 far 0 62 0 - 8.4-33.7 H LYS 36 - HD3 LYS 31 far 0 50 0 - 8.6-13.4 H SER 38 - HD3 LYS 26 far 0 75 0 - 8.7-26.5 H ILE 37 - HD3 LYS 24 far 0 92 0 - 8.7-24.6 H ASP 64 - HD2 LYS 36 far 0 99 0 - 9.1-18.0 H ILE 37 - HD2 LYS 31 far 0 94 0 - 9.1-14.5 H SER 94 - HD3 LYS 24 far 0 60 0 - 9.1-35.3 H ILE 37 - HD3 LYS 31 far 0 92 0 - 9.1-15.3 H ASP 64 - HD3 LYS 36 far 0 99 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 1051 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 32 out of 147 assignments used, quality = 1.00: * HA LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.9-6.2 6.0=100 HA LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.9-6.5 6.0=100 HA LYS 19 + HE2 LYS 19 OK 99 99 100 100 3.2-5.7 6.4=100 HA LYS 31 + HE2 LYS 31 OK 97 97 100 100 1.9-5.7 6.5=100 HA PHE 87 + HE3 LYS 86 OK 97 97 100 100 3.9-7.4 4.9/2704=92...(13) HA LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.0-5.4 6.4=100 HA LYS 31 + HE3 LYS 31 OK 92 92 100 100 2.5-5.6 6.5=100 HA LYS 26 + HE2 LYS 26 OK 90 90 100 100 2.7-6.4 6.6=100 HA LYS 26 + HE3 LYS 26 OK 90 90 100 100 3.4-6.0 6.6=100 HA THR 25 + HE2 LYS 24 OK 83 90 95 97 2.0-8.6 11128/5.1=42, ~544=27...(16) HA THR 18 + HE2 LYS 19 OK 74 89 90 93 2.7-8.8 10686/3.8=59, 226/7.3=57...(8) HA ARG 23 + HE2 LYS 24 OK 67 96 85 82 6.3-9.4 424/7.4=61, 1018/4.0=10...(19) HA THR 18 + HE3 LYS 19 OK 65 83 85 93 4.3-9.2 10686/3.8=59, 226/7.3=57...(8) HA THR 25 + HE2 LYS 26 OK 65 78 85 97 2.9-9.2 582/7.1=63, 11128/4.8=34...(13) HA THR 25 + HE3 LYS 24 OK 64 89 75 97 2.3-9.0 11128/5.1=42, ~544=27...(15) HA THR 25 + HE3 LYS 26 OK 57 78 75 97 2.2-9.3 582/7.1=63, 11128/4.8=34...(13) HA LYS 31 + HE3 LYS 26 OK 55 92 60 99 5.3-18.9 3.0/6337=10, ~6338=9...(175) HA ARG 23 + HE3 LYS 24 OK 54 95 70 81 5.5-9.3 424/7.4=61, 1018/4.0=10...(16) HA LYS 31 + HE2 LYS 26 OK 50 92 55 99 5.0-18.9 3.0/6337=10, ~6338=9...(174) HA LYS 19 + HE3 LYS 24 OK 47 97 50 96 2.9-16.7 822/4.0=7, 793/4.0=6...(170) HA ARG 84 + HE3 LYS 86 OK 45 65 95 73 7.1-8.5 4.9/9767=60, 2523/4.9=21 HA LYS 26 + HE3 LYS 31 OK 44 90 50 97 4.4-13.1 790/4.8=9, 822/3.7=8...(155) HA LYS 19 + HE2 LYS 24 OK 43 98 45 98 1.9-16.1 822/4.0=7, 793/4.0=6...(172) HA LYS 26 + HE2 LYS 31 OK 42 96 45 97 5.0-12.6 790/4.8=9, 822/3.7=8...(154) HA ARG 23 + HE3 LYS 26 OK 39 86 60 76 2.0-13.5 3.8/11618=9, 424/7.1=4...(78) HA ARG 23 + HE2 LYS 26 OK 39 86 60 76 2.7-12.5 3.8/11618=13, 424/7.1=4...(78) HA LYS 36 + HE2 LYS 26 OK 36 92 45 88 3.2-29.7 3.0/1004=15, ~1004=11...(62) HA LYS 36 + HE3 LYS 26 OK 36 92 45 87 3.5-29.4 3.0/1004=13, ~1004=12...(61) HA LEU 22 + HE3 LYS 24 OK 32 98 75 44 1.9-11.8 11967/4.0=19...(9) HA LEU 22 + HE2 LYS 24 OK 27 99 65 43 3.0-11.0 11967/4.0=19...(8) HA LYS 31 + HE2 LYS 36 OK 27 100 55 49 5.5-13.1 10753/9008=5, ~6337=4...(13) HA LYS 31 + HE3 LYS 36 OK 21 99 50 42 4.8-12.9 10753/9008=5, 3.0/6337=4...(8) HA THR 25 - HE3 LYS 31 poor 20 78 25 - 2.8-14.8 HA ARG 23 - HE2 LYS 36 poor 19 97 20 - 5.7-25.3 HA ALA 21 - HE3 LYS 26 poor 16 80 20 - 7.7-16.3 HA LYS 36 - HE3 LYS 24 far 15 99 15 - 7.3-29.3 HA LYS 26 - HE3 LYS 24 far 15 98 15 - 6.6-11.5 HA ALA 15 - HE2 LYS 24 far 15 97 15 - 3.2-24.3 HA ALA 16 - HE2 LYS 31 far 15 97 15 - 6.3-27.2 HA GLN 61 - HE3 LYS 19 far 14 96 15 - 7.8-33.4 HA ARG 23 - HE3 LYS 36 far 14 95 15 - 6.1-25.9 HA ALA 15 - HE2 LYS 31 far 14 93 15 - 5.4-27.5 HA ALA 21 - HE2 LYS 36 far 14 92 15 - 7.2-27.3 HA ARG 23 - HE2 LYS 31 far 14 92 15 - 6.0-17.4 HA GLN 61 - HE3 LYS 31 far 14 90 15 - 6.4-25.1 HA LEU 22 - HE3 LYS 26 far 13 89 15 - 5.2-15.2 HA THR 25 - HE3 LYS 36 far 13 89 15 - 5.5-23.8 HA THR 25 - HE3 LYS 19 far 13 85 15 - 7.5-20.7 HA THR 18 - HE2 LYS 31 far 12 83 15 - 5.9-25.3 HA ALA 21 - HE2 LYS 26 far 12 80 15 - 6.8-17.6 HA ALA 16 - HE2 LYS 24 far 10 100 10 - 5.1-21.6 HA LYS 36 - HE2 LYS 24 far 10 100 10 - 6.4-29.6 HA LYS 31 - HE2 LYS 24 far 10 100 10 - 6.0-19.7 HA LYS 26 - HE2 LYS 36 far 10 99 10 - 5.2-22.3 HA ALA 16 - HE3 LYS 24 far 10 99 10 - 5.5-21.7 HA LYS 26 - HE2 LYS 24 far 10 99 10 - 5.6-11.4 HA GLN 61 - HE2 LYS 24 far 10 99 10 - 5.8-25.5 HA GLN 61 - HE2 LYS 31 far 10 96 10 - 6.6-24.3 HA LYS 19 - HE2 LYS 31 far 9 94 10 - 7.4-25.6 HA ALA 16 - HE3 LYS 31 far 9 92 10 - 5.0-28.0 HA ALA 109 - HE3 LYS 26 far 9 92 10 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 9 92 10 - 4.9-30.3 HA LYS 36 - HE3 LYS 31 far 9 92 10 - 7.1-15.1 HA THR 25 - HE2 LYS 36 far 9 90 10 - 4.9-23.1 HA GLN 61 - HE2 LYS 26 far 9 90 10 - 2.5-26.5 HA GLN 61 - HE3 LYS 26 far 9 90 10 - 3.6-26.6 HA ALA 15 - HE3 LYS 31 far 9 87 10 - 5.9-26.5 HA ALA 21 - HE3 LYS 19 far 9 86 10 - 7.9-11.6 HA THR 18 - HE3 LYS 31 far 8 77 10 - 5.3-25.8 HA LYS 26 - HE3 LYS 36 poor 6 98 30 20 6.7-22.7 10753/9008=4 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 5.1-27.7 HA ALA 16 - HE2 LYS 36 far 5 100 5 - 7.5-31.5 HA ALA 109 - HE2 LYS 19 far 5 100 5 - 7.5-53.5 HA ALA 108 - HE2 LYS 19 far 5 100 5 - 7.8-51.7 HA ALA 16 - HE3 LYS 36 far 5 99 5 - 6.3-32.1 HA LYS 31 - HE3 LYS 24 far 5 99 5 - 7.3-20.2 HA GLN 61 - HE2 LYS 36 far 5 99 5 - 8.2-18.1 HA GLN 61 - HE3 LYS 24 far 5 98 5 - 6.3-26.7 HA LYS 19 - HE3 LYS 36 far 5 97 5 - 8.2-32.4 HA LYS 31 - HE3 LYS 19 far 5 97 5 - 5.6-27.5 HA ALA 109 - HE3 LYS 19 far 5 97 5 - 6.5-51.9 HA LYS 36 - HE2 LYS 31 far 5 97 5 - 7.3-13.7 HA ALA 108 - HE3 LYS 19 far 5 97 5 - 7.1-50.0 HA ALA 15 - HE3 LYS 24 far 5 96 5 - 2.7-24.2 HA ALA 12 - HE2 LYS 24 far 5 97 5 - 8.3-25.1 HA ALA 108 - HE2 LYS 31 far 5 97 5 - 7.5-34.3 HA ARG 23 - HE2 LYS 19 far 5 96 5 - 7.9-15.5 HA ALA 12 - HE3 LYS 24 far 5 96 5 - 7.9-25.7 HA LYS 26 - HE3 LYS 19 far 5 96 5 - 8.1-22.8 HA LEU 22 - HE3 LYS 19 far 5 95 5 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 5 94 5 - 8.1-53.0 HA ALA 109 - HE2 LYS 26 far 5 92 5 - 5.8-33.8 HA ALA 108 - HE2 LYS 26 far 5 92 5 - 6.6-31.8 HA ALA 108 - HE3 LYS 31 far 5 92 5 - 6.8-33.7 HA ARG 23 - HE3 LYS 19 far 5 92 5 - 8.3-16.9 HA ALA 21 - HE3 LYS 36 far 5 90 5 - 6.5-28.1 HA THR 25 - HE2 LYS 19 far 5 90 5 - 7.4-19.3 HA THR 18 - HE2 LYS 36 far 4 89 5 - 6.5-32.9 HA LYS 19 - HE3 LYS 31 far 4 89 5 - 6.8-26.4 HA LYS 19 - HE2 LYS 26 far 4 89 5 - 7.6-22.7 HA ALA 110 - HE3 LYS 26 far 4 88 5 - 5.9-33.9 HA ALA 110 - HE2 LYS 26 far 4 88 5 - 7.4-35.4 HA THR 18 - HE3 LYS 36 far 4 87 5 - 5.0-33.6 HA ALA 21 - HE2 LYS 31 far 4 86 5 - 7.5-21.4 HA ALA 21 - HE3 LYS 31 far 4 80 5 - 7.2-21.7 HA ALA 21 - HE2 LYS 24 lone 2 91 55 5 2.6-12.5 HA ALA 12 - HE2 LYS 19 lone 2 97 55 4 3.7-20.1 HA ALA 21 - HE3 LYS 24 lone 2 90 45 5 2.0-13.7 HA ALA 12 - HE3 LYS 19 lone 2 93 45 4 4.5-19.2 HA LEU 22 - HE2 LYS 26 lone 2 89 30 7 4.0-14.7 372/11618=2, 3.6/865=2 HA THR 18 - HE3 LYS 24 lone 2 87 30 6 4.1-17.6 10686/318=1 HA THR 25 - HE2 LYS 31 lone 1 85 30 6 3.1-14.8 HA ALA 16 - HE3 LYS 19 lone 1 97 35 4 4.9-11.6 7131/7.3=1 HA THR 18 - HE2 LYS 24 lone 1 88 25 6 4.8-17.4 10686/318=1 HA ALA 15 - HE3 LYS 19 lone 1 93 45 3 2.0-14.9 HA ALA 16 - HE2 LYS 19 lone 1 100 30 4 5.1-12.4 7131/7.3=1 HA ALA 15 - HE2 LYS 19 lone 1 97 35 3 2.2-14.3 HA ARG 23 - HE3 LYS 31 lone 1 86 25 3 7.1-18.5 HA LEU 22 - HE2 LYS 36 far 0 99 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 89 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 85 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 90 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 96 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 99 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 92 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 100 0 - 8.9-40.0 HA LYS 19 - HE3 LYS 26 far 0 89 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 93 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 98 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 92 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 98 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 99 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 97 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 100 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 99 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 90 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 77 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 87 0 - 9.6-27.2 HA LYS 19 - HE2 LYS 36 far 0 99 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 100 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 77 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 97 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 99 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 98 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 98 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 78 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 1052 from cnoeabs.peaks (1.82, 2.96, 41.80 ppm; 6.11 A): 29 out of 73 assignments used, quality = 1.00: * HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HB ILE 32 + HE2 LYS 36 OK 100 100 100 100 3.4-7.6 ~10837=30, 10833/3.0=30...(57) HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.1 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 HB2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-4.5 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.8-5.3 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 96 96 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-4.8 5.1=100 HB3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.0-5.4 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 3.3-5.0 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 91 91 100 100 2.0-5.0 4.8=100 HB ILE 32 + HE3 LYS 36 OK 89 99 90 100 2.0-7.9 ~10837=30, 10833/3.0=30...(56) HB2 LYS 86 + HE3 LYS 86 OK 78 78 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 31 OK 60 97 65 95 4.3-9.5 10825=14, 902/7.1=13...(61) HB ILE 32 + HE2 LYS 26 OK 53 92 60 96 4.8-19.8 ~10767=14, ~10840=14...(62) HB ILE 32 + HE3 LYS 26 OK 53 92 60 96 4.6-19.4 ~10767=14, ~10840=14...(62) HB3 LYS 31 + HE2 LYS 26 OK 49 91 55 98 2.2-19.2 629/3.6=9, 6332/6337=8...(145) HB3 LYS 31 + HE3 LYS 26 OK 49 91 55 98 3.3-19.0 629/3.6=9, 6332/6337=8...(142) HB ILE 32 + HE3 LYS 31 OK 48 92 55 95 4.6-10.3 10825/1.8=13, 902/7.1=13...(61) HB3 LYS 26 + HE2 LYS 31 OK 45 97 50 92 3.9-12.8 1019/3.7=7, 835/3.7=6...(117) HB2 LYS 36 + HE2 LYS 26 OK 44 92 55 88 2.4-29.4 1.8/1004=14, ~1004=11...(50) HB3 LYS 19 + HE3 LYS 24 OK 42 99 45 94 3.9-16.9 526/4.0=4, 3.0/11770=4...(137) HB2 LYS 36 + HE3 LYS 26 OK 35 92 45 84 2.6-28.9 1.8/1004=14, ~1004=12...(30) HB3 ARG 23 + HE2 LYS 26 OK 34 90 55 69 3.0-13.9 3.0/11618=13, ~11618=7...(60) HB3 LYS 26 + HE3 LYS 31 OK 34 92 40 92 4.4-13.0 1019/3.7=7, 835/3.7=6...(116) HB3 LYS 19 + HE2 LYS 24 OK 33 99 35 94 2.6-16.3 3.0/11770=4, 526/4.0=4...(135) HB3 ARG 23 + HE3 LYS 26 OK 31 90 50 69 2.6-15.2 ~11618=10, 3.0/11618=9...(59) HB3 LYS 24 + HE3 LYS 19 OK 24 97 35 70 4.6-17.1 2.9/532=2, 509=2...(62) HB3 LYS 24 + HE2 LYS 19 OK 23 100 30 75 3.5-17.2 1.8/613=2, 2.9/532=2...(76) HB3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 4.2-22.7 HB2 LYS 36 - HE3 LYS 31 poor 18 92 20 - 5.6-14.2 HB3 ARG 23 - HE2 LYS 36 far 15 99 15 - 3.5-23.5 HB3 LYS 31 - HE2 LYS 24 far 15 99 15 - 6.0-19.3 HB3 ARG 23 - HE2 LYS 24 far 15 99 15 - 7.2-10.3 HB3 ARG 23 - HE2 LYS 31 far 14 96 15 - 6.3-18.9 HB3 ARG 23 - HE3 LYS 24 poor 14 98 25 56 7.0-10.6 6214/7.4=25, 1008/4.0=5...(26) HB3 LYS 31 - HE3 LYS 36 poor 13 99 45 29 4.9-14.1 6332/6337=3...(4) HB3 LYS 24 - HE2 LYS 36 far 10 100 10 - 3.5-25.9 HB3 LYS 26 - HE2 LYS 24 far 10 100 10 - 5.2-13.2 HB3 LYS 26 - HE3 LYS 24 far 10 99 10 - 6.0-13.6 HB3 ARG 23 - HE3 LYS 36 far 10 98 10 - 4.4-24.0 HB3 LYS 19 - HE2 LYS 31 far 10 96 10 - 6.5-26.1 HB3 LYS 19 - HE3 LYS 31 far 9 91 10 - 7.4-27.0 HB3 ARG 23 - HE3 LYS 31 far 9 90 10 - 5.4-20.0 HB3 LYS 31 - HE2 LYS 36 poor 8 100 25 32 5.3-14.3 10751/10813=3, 6332/6337=2 HB2 CYS 79 - HE3 LYS 86 far 8 78 10 - 6.5-10.0 HB3 LYS 26 - HE3 LYS 36 poor 6 99 25 22 5.3-23.0 10720/10721=4, 10751/10813=2 HB2 LYS 36 - HE2 LYS 24 far 5 100 5 - 6.1-29.9 HB ILE 32 - HE2 LYS 24 far 5 100 5 - 7.3-20.7 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB3 LYS 24 - HE3 LYS 36 far 5 99 5 - 5.2-26.7 HB2 LYS 36 - HE3 LYS 24 far 5 99 5 - 7.5-29.6 HB3 LYS 31 - HE3 LYS 24 far 5 99 5 - 6.7-20.0 HB3 LYS 31 - HE3 LYS 19 far 5 96 5 - 6.2-27.1 HB3 LYS 24 - HE3 LYS 31 far 5 91 5 - 7.6-18.3 HB3 LYS 19 - HE2 LYS 26 far 5 91 5 - 6.1-23.7 HB3 LYS 24 - HE2 LYS 26 lone 4 91 35 13 5.5-13.1 985/9587=1 HB3 LYS 24 - HE3 LYS 26 lone 3 91 25 15 4.8-12.9 985/9587=2 HB2 LYS 36 - HE2 LYS 31 lone 3 97 30 11 6.2-12.8 10898/10721=4, 929/9008=3 HB3 LYS 19 - HE3 LYS 26 far 0 91 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 97 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 97 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 98 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 96 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 96 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 99 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 62 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 74 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 100 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 62 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 1053 from cnoeabs.peaks (1.88, 2.96, 41.80 ppm; 5.47 A): 4 out of 30 assignments used, quality = 1.00: * HB3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-4.8 4.9=100 HB3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 1.9-4.6 4.9=100 HB3 LYS 36 + HE3 LYS 26 OK 38 92 50 82 3.1-28.2 1003=14, 1004/1.8=11...(61) HB3 LYS 36 + HE2 LYS 26 OK 35 92 45 84 2.9-28.6 1003/1.8=12, 1004=12...(68) HB2 ARG 90 - HE3 LYS 86 poor 11 60 50 38 3.8-8.5 11200/9660=14...(6) HB3 LYS 36 - HE2 LYS 31 far 10 97 10 - 5.5-13.6 HB2 GLU 40 - HE2 LYS 36 far 9 92 10 - 5.2-16.4 HB2 GLU 40 - HE2 LYS 24 far 9 91 10 - 5.9-32.4 HB2 GLU 40 - HE3 LYS 24 far 9 90 10 - 5.2-31.0 HB3 LYS 36 - HE2 LYS 24 far 5 100 5 - 4.5-28.8 HB3 LYS 36 - HE3 LYS 24 far 5 99 5 - 6.1-28.5 HB3 LEU 48 - HE2 LYS 36 far 5 97 5 - 6.8-16.7 HB3 LEU 48 - HE2 LYS 24 far 5 97 5 - 6.0-30.7 HB3 LEU 48 - HE3 LYS 24 far 5 96 5 - 4.6-29.1 HB3 LEU 48 - HE3 LYS 36 far 5 96 5 - 5.5-18.0 HB3 LYS 36 - HE3 LYS 31 far 5 92 5 - 5.0-14.6 HB2 GLU 40 - HE3 LYS 36 far 5 90 5 - 4.4-17.2 HB3 LEU 48 - HE2 LYS 26 far 4 87 5 - 4.9-29.1 HB3 LEU 48 - HE3 LYS 26 far 4 87 5 - 5.9-29.3 HB3 LEU 48 - HE3 LYS 31 far 4 87 5 - 7.0-26.5 HB2 GLU 40 - HE2 LYS 31 far 4 86 5 - 5.5-24.2 HB2 GLU 40 - HE3 LYS 31 far 4 80 5 - 6.4-25.8 HB3 LEU 48 - HE2 LYS 31 far 0 93 0 - 7.9-25.3 HB3 ARG 84 - HE3 LYS 86 far 0 82 0 - 8.0-9.9 HB2 GLU 40 - HE3 LYS 26 far 0 80 0 - 8.3-33.7 HB3 LEU 48 - HE3 LYS 19 far 0 93 0 - 8.4-37.7 HB2 GLU 40 - HE2 LYS 26 far 0 80 0 - 8.9-33.6 HB3 LEU 48 - HE2 LYS 19 far 0 97 0 - 9.2-36.0 HB2 GLU 40 - HE2 LYS 19 far 0 92 0 - 9.4-42.7 HB2 GLU 40 - HE3 LYS 19 far 0 86 0 - 9.6-42.3 Violated in 0 structures by 0.00 A. Peak 1054 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 5.35 A): 17 out of 125 assignments used, quality = 1.00: * HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.0-4.2 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.1-4.2 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.4-4.2 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.1-4.1 3.6=100 HG2 LYS 19 + HE2 LYS 19 OK 90 90 100 100 2.3-3.2 3.8=100 HG3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 85 85 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 24 OK 24 90 30 91 2.9-18.6 3.0/2634=4, 4.2/11770=3...(152) HG2 LYS 19 + HE3 LYS 24 OK 23 89 30 88 3.9-19.3 3.0/2634=3, 4.2/11770=3...(122) HG2 LYS 36 + HE3 LYS 26 OK 23 92 30 82 5.1-26.6 3.0/1003=10, ~1004=8...(41) HG3 LYS 26 + HE2 LYS 31 OK 22 97 25 89 5.0-15.0 639/4.8=7, 640/4.8=5...(129) HG3 LYS 31 + HE2 LYS 26 OK 21 87 25 97 4.3-18.5 834/4.8=5, 5.0/6337=5...(184) HG3 LYS 31 + HE3 LYS 26 OK 21 87 25 97 4.8-18.3 834/4.8=5, 5.0/6337=5...(180) HG3 LYS 26 + HE3 LYS 31 OK 21 92 25 90 5.8-14.5 639/4.8=7, 640/4.8=5...(129) HG2 LYS 24 - HE2 LYS 19 poor 20 100 20 - 4.3-16.8 HG3 LYS 31 - HE2 LYS 36 poor 19 97 20 - 4.3-14.3 QB ALA 15 - HE2 LYS 31 poor 19 97 20 - 3.9-23.1 HG3 LYS 31 - HE3 LYS 36 poor 19 96 20 - 4.5-14.3 QB ALA 29 - HE3 LYS 26 poor 18 92 20 - 4.0-12.1 HG2 LYS 36 - HE2 LYS 26 poor 18 92 20 - 5.0-27.0 QB ALA 15 - HE3 LYS 31 poor 18 92 20 - 4.6-22.3 QB ALA 28 - HE2 LYS 26 poor 18 91 20 - 5.9-10.2 HG2 LYS 24 - HE3 LYS 19 poor 18 97 25 73 3.6-18.0 835/5.1=3, 598/6.4=3...(31) QB ALA 28 - HE2 LYS 31 poor 14 97 40 36 4.7-10.1 ~10771=23, 6334/7.1=8...(5) QB ALA 28 - HE3 LYS 26 far 14 91 15 - 5.4-9.7 QB ALA 28 - HE3 LYS 31 poor 12 91 35 36 4.1-9.8 ~10771=23, 6334/7.1=8...(5) QB ALA 16 - HE3 LYS 24 far 11 71 15 - 4.4-18.8 QB ALA 29 - HE2 LYS 31 poor 10 97 40 26 4.3-10.0 10739/10804=7...(7) HB2 LEU 42 - HE2 LYS 36 far 10 100 10 - 6.0-12.2 QB ALA 29 - HE2 LYS 24 far 10 100 10 - 5.6-13.5 HG3 LYS 26 - HE3 LYS 24 far 10 99 10 - 5.5-12.7 HB2 LEU 42 - HE3 LYS 36 far 10 99 10 - 5.0-13.1 HG2 LYS 36 - HE2 LYS 31 far 10 97 10 - 5.3-13.7 QB ALA 28 - HE3 LYS 19 far 10 97 10 - 5.7-22.4 QB ALA 29 - HE3 LYS 36 poor 9 99 40 23 5.3-11.4 10739/10804=11, 10790/10825=10 HG3 LYS 31 - HE3 LYS 19 far 9 93 10 - 6.4-26.3 HG2 LYS 24 - HE3 LYS 26 far 9 92 10 - 5.4-12.1 HG2 LYS 24 - HE2 LYS 26 far 9 92 10 - 5.9-12.0 QB ALA 108 - HE3 LYS 26 far 9 91 10 - 5.8-24.3 QB ALA 29 - HE2 LYS 36 poor 9 100 35 26 5.2-11.0 10790/10825=12, 10739/9008=12 QB ALA 109 - HE3 LYS 26 far 9 89 10 - 5.3-26.1 QB ALA 109 - HE2 LYS 26 far 9 89 10 - 6.6-27.0 QB ALA 12 - HE2 LYS 24 far 8 80 10 - 6.2-19.2 QB ALA 12 - HE3 LYS 24 far 8 79 10 - 5.0-19.7 QB ALA 29 - HE3 LYS 31 poor 8 92 35 24 4.8-10.3 10739/9008=6, 749/7.1=5...(7) QB ALA 16 - HE2 LYS 24 far 7 73 10 - 3.4-18.8 QB ALA 16 - HE2 LYS 31 far 7 68 10 - 5.8-23.5 QB ALA 16 - HE3 LYS 31 far 6 62 10 - 5.0-24.1 HG3 LYS 26 - HE2 LYS 36 poor 5 100 25 21 4.6-24.5 10704/10813=3 QB ALA 15 - HE2 LYS 24 far 5 100 5 - 2.0-19.1 HG2 LYS 24 - HE2 LYS 36 far 5 100 5 - 4.2-26.3 QB ALA 15 - HE3 LYS 24 far 5 99 5 - 2.0-19.1 HG3 LYS 26 - HE2 LYS 24 far 5 100 5 - 5.0-12.3 HG2 LYS 36 - HE2 LYS 24 far 5 100 5 - 6.3-27.7 QB ALA 28 - HE2 LYS 36 far 5 100 5 - 6.6-15.3 QB ALA 28 - HE2 LYS 19 far 5 100 5 - 6.8-23.2 QB ALA 108 - HE2 LYS 24 far 5 100 5 - 6.0-32.3 HG3 LYS 95 - HE2 LYS 24 far 5 99 5 - 5.2-35.1 HG2 LYS 24 - HE3 LYS 36 far 5 99 5 - 5.7-27.3 QB ALA 29 - HE3 LYS 24 far 5 99 5 - 6.3-14.0 HG3 LYS 95 - HE3 LYS 24 far 5 99 5 - 4.2-36.6 QB ALA 108 - HE3 LYS 24 far 5 99 5 - 6.2-33.6 HG2 LYS 95 - HE2 LYS 24 far 5 99 5 - 5.7-34.8 QB ALA 109 - HE2 LYS 19 far 5 99 5 - 5.1-43.2 HG2 LYS 95 - HE3 LYS 24 far 5 98 5 - 4.3-36.3 HG3 LYS 31 - HE2 LYS 24 far 5 97 5 - 4.1-18.0 HG3 LYS 31 - HE2 LYS 19 far 5 97 5 - 6.7-25.4 HG3 LYS 31 - HE3 LYS 24 far 5 96 5 - 5.2-18.7 QB ALA 109 - HE3 LYS 19 far 5 94 5 - 4.7-41.8 QB ALA 110 - HE3 LYS 26 far 5 92 5 - 4.0-28.9 HG2 LYS 36 - HE3 LYS 31 far 5 92 5 - 5.1-14.9 HG3 LYS 26 - HE3 LYS 36 lone 5 99 25 18 4.4-24.9 10704/10813=3 QB ALA 110 - HE2 LYS 26 far 5 92 5 - 4.9-30.1 HG2 LYS 24 - HE3 LYS 31 far 5 92 5 - 6.8-19.4 QB ALA 108 - HE3 LYS 31 far 5 91 5 - 6.5-27.3 QB ALA 29 - HE2 LYS 26 lone 5 92 25 20 4.1-12.1 10739/9008=7...(3) HG2 LYS 19 - HE3 LYS 31 far 4 78 5 - 6.5-27.2 QB ALA 12 - HE2 LYS 31 far 4 75 5 - 6.0-23.5 QB ALA 16 - HE2 LYS 36 far 4 73 5 - 6.8-25.2 QB ALA 16 - HE3 LYS 36 far 4 71 5 - 5.5-25.6 QB ALA 28 - HE2 LYS 24 lone 2 100 25 6 4.5-13.8 11150/9587=2, 10790/5.1=1 QB ALA 12 - HE2 LYS 19 lone 1 80 65 3 4.2-15.0 QB ALA 28 - HE3 LYS 24 lone 1 99 25 5 5.3-13.7 11150/9587=2, 10790/5.1=1 QB ALA 12 - HE3 LYS 19 lone 1 75 50 3 4.2-15.1 QB ALA 16 - HE2 LYS 19 lone 1 73 35 3 4.4-10.6 QB ALA 15 - HE2 LYS 19 lone 1 100 35 2 2.0-11.7 QB ALA 16 - HE3 LYS 19 lone 1 68 30 2 3.5-9.7 QB ALA 15 - HE3 LYS 19 lone 0 97 25 2 2.1-13.2 QB ALA 108 - HE2 LYS 26 far 0 91 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 99 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 96 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 69 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 100 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 85 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 96 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 99 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 98 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 97 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 100 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 99 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 97 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 89 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 97 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 78 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 92 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 97 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 92 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 92 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 89 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 100 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 97 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 97 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 92 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 94 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 92 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 79 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 81 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 62 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 62 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 100 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 1055 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 5.86 A): 21 out of 61 assignments used, quality = 1.00: * HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.2-3.5 4.0=100 HG3 LYS 86 + HE3 LYS 86 OK 98 98 100 100 3.3-3.7 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 80 80 100 100 2.0-3.9 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 79 79 100 100 2.2-4.2 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 76 76 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 70 70 100 100 2.3-3.8 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 65 65 100 100 2.3-4.1 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 60 60 100 100 2.1-4.2 3.7=100 HG13 ILE 32 + HE2 LYS 36 OK 56 63 90 99 2.8-9.0 ~10767=27, 3.2/10721=24...(65) HG13 ILE 32 + HE3 LYS 36 OK 55 61 90 99 3.2-9.5 ~10767=27, 3.2/10721=27...(65) HG13 ILE 32 + HE2 LYS 31 OK 31 58 60 91 2.3-9.1 2.1/9008=13, 6333/7.1=12...(62) HG3 LYS 36 + HE3 LYS 26 OK 31 92 40 85 4.4-26.9 3.0/1003=11...(50) HG13 ILE 32 + HE2 LYS 26 OK 29 52 60 93 2.1-17.7 ~10767=16, 3.2/10766=13...(62) HG13 ILE 32 + HE3 LYS 26 OK 29 52 60 93 2.0-17.3 ~10767=16, 3.2/10766=14...(61) HG13 ILE 32 + HE3 LYS 31 OK 29 52 60 92 2.0-9.6 6333/7.1=12, ~10804=12...(63) HG3 LYS 36 + HE2 LYS 26 OK 28 92 35 86 4.5-27.4 3.0/1004=12...(62) HG3 LYS 24 + HE3 LYS 19 OK 22 75 40 74 4.5-18.1 823/5.1=4, 822/6.4=4...(34) HG3 LYS 19 + HE2 LYS 24 OK 21 75 30 95 3.4-18.5 3.0/2634=4, ~1228=4...(173) HG3 LYS 24 + HE2 LYS 19 OK 21 80 35 74 3.7-17.8 823/5.1=4, 822/6.4=4...(25) HG3 LYS 19 + HE3 LYS 24 OK 21 74 30 93 4.8-19.1 3.0/2634=4, 3.0/1217=4...(151) HG3 LYS 36 - HE3 LYS 31 poor 18 92 20 - 3.7-15.5 HG2 LYS 31 - HE2 LYS 26 poor 18 60 30 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 poor 18 60 30 - 5.3-19.4 HG2 LYS 31 - HE2 LYS 36 poor 14 71 20 - 4.9-14.4 HG3 LYS 24 - HE3 LYS 26 poor 14 69 20 - 6.5-13.4 HG LEU 42 - HE2 LYS 36 far 12 83 15 - 4.8-12.8 HG LEU 42 - HE3 LYS 36 far 12 81 15 - 4.4-13.5 HG2 LYS 31 - HE2 LYS 24 far 11 70 15 - 3.3-18.4 QB ALA 52 - HE3 LYS 24 far 9 93 10 - 7.0-24.3 HG3 LYS 24 - HE2 LYS 26 far 7 69 10 - 6.7-12.9 HG2 LYS 31 - HE3 LYS 36 poor 5 69 30 25 5.4-14.2 5.0/6337=3, 3.0/2634=1 HG3 LYS 36 - HE2 LYS 24 far 5 100 5 - 4.6-28.4 HG3 LYS 36 - HE3 LYS 24 far 5 99 5 - 6.2-28.3 QB ALA 52 - HE2 LYS 24 far 5 94 5 - 7.1-25.0 QB ALA 52 - HE3 LYS 19 far 4 89 5 - 6.9-30.9 HG3 LYS 24 - HE2 LYS 36 far 4 81 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 4 79 5 - 4.8-25.5 HG2 LYS 31 - HE3 LYS 24 far 3 69 5 - 4.0-19.0 HG2 LYS 31 - HE3 LYS 19 far 3 65 5 - 7.3-26.2 HG3 LYS 19 - HE3 LYS 31 far 3 64 5 - 7.1-28.4 HG3 LYS 36 - HE2 LYS 31 lone 3 97 25 12 4.4-14.3 10901/10721=6, 1019/10825=2 QB ALA 52 - HE2 LYS 26 far 0 83 0 - 7.4-24.3 HG3 LYS 19 - HE2 LYS 31 far 0 70 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 62 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 71 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 64 0 - 8.0-25.3 QB ALA 52 - HE2 LYS 19 far 0 94 0 - 8.1-30.6 HG3 LYS 24 - HE3 LYS 31 far 0 69 0 - 8.2-17.8 QB ALA 52 - HE3 LYS 26 far 0 83 0 - 8.2-24.6 HG13 ILE 32 - HE3 LYS 19 far 0 58 0 - 8.4-27.1 QB ALA 52 - HE3 LYS 36 far 0 93 0 - 8.5-17.5 HG3 LYS 24 - HE2 LYS 31 far 0 75 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 63 0 - 8.6-27.3 HG13 ILE 32 - HE3 LYS 24 far 0 61 0 - 8.9-19.1 QB ALA 52 - HE2 LYS 36 far 0 95 0 - 9.0-16.4 HG LEU 42 - HE2 LYS 26 far 0 71 0 - 9.1-27.6 HG3 LYS 19 - HE3 LYS 26 far 0 64 0 - 9.3-25.2 QB ALA 52 - HE3 LYS 31 far 0 83 0 - 9.4-24.2 HG3 LYS 19 - HE3 LYS 36 far 0 74 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 1056 from cnoeabs.peaks (1.67, 2.96, 41.80 ppm; 4.72 A): 22 out of 117 assignments used, quality = 1.00: * HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.6-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 84 84 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.4-3.0 2.9=100 HD2 LYS 24 - HE2 LYS 19 poor 20 98 20 - 5.2-19.0 HD2 LYS 36 - HE2 LYS 31 poor 19 97 20 - 3.1-14.2 HD2 LYS 26 - HE3 LYS 36 poor 19 96 20 - 3.3-25.8 HD3 LYS 24 - HE3 LYS 19 poor 19 93 20 - 3.7-17.8 HD2 LYS 36 - HE2 LYS 26 poor 18 92 20 - 3.3-25.2 HD3 LYS 26 - HE2 LYS 31 poor 18 90 20 - 4.2-14.6 HD2 LYS 26 - HE3 LYS 31 poor 17 87 20 - 4.9-15.3 HD2 LYS 19 - HE3 LYS 24 poor 16 79 20 - 2.9-18.4 HD3 LYS 36 - HE2 LYS 31 far 15 97 15 - 4.3-13.8 HD2 LYS 31 - HE3 LYS 36 far 15 97 15 - 5.7-13.3 HD3 LYS 31 - HE3 LYS 36 far 14 96 15 - 5.3-12.3 HD2 LYS 24 - HE3 LYS 19 far 14 94 15 - 3.9-18.3 HD2 LYS 26 - HE2 LYS 31 far 14 93 15 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 26 far 13 87 15 - 4.6-18.1 HD3 LYS 36 - HE2 LYS 26 poor 13 92 30 46 4.7-26.1 3.5/1004=7, 3.0/1026=5...(17) HD3 LYS 24 - HE2 LYS 19 poor 11 97 25 44 4.2-18.5 2631/5.1=2, 632/3.8=1...(9) HD2 LYS 19 - HE2 LYS 24 poor 11 80 35 38 2.6-17.0 3.9/2634=3, 5.2/11770=2...(10) HB2 LEU 69 - HE2 LYS 36 far 10 100 10 - 5.7-13.2 HD2 LYS 31 - HE2 LYS 36 far 10 98 10 - 4.6-13.1 HD2 LYS 36 - HE3 LYS 31 far 9 92 10 - 3.6-14.4 HD3 LYS 36 - HE3 LYS 31 far 9 92 10 - 4.8-13.8 HD2 LYS 36 - HE3 LYS 26 poor 9 92 25 40 2.5-24.7 3.5/1003=7...(13) HD3 LYS 36 - HE3 LYS 26 poor 9 92 25 40 3.6-25.8 3.5/1003=7, 3.0/1026=4...(13) HD3 LYS 19 - HE3 LYS 24 poor 9 79 30 38 2.2-19.0 3.9/2634=2, 5.2/11770=2...(14) HD3 LYS 19 - HE2 LYS 24 poor 9 80 30 38 2.7-18.2 3.9/2634=3, 5.2/11770=2...(10) HD2 LYS 31 - HE2 LYS 26 far 9 88 10 - 6.0-18.3 HD3 LYS 26 - HE3 LYS 31 far 8 84 10 - 4.6-14.9 HD2 LYS 24 - HE2 LYS 36 far 5 98 5 - 5.2-24.7 HD2 LYS 31 - HE2 LYS 24 far 5 98 5 - 5.9-17.4 HD3 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.3-12.0 HD3 LYS 24 - HE2 LYS 36 far 5 97 5 - 5.7-25.1 HD3 LYS 31 - HE2 LYS 24 far 5 97 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 5 96 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 5 95 5 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 26 far 4 88 5 - 5.2-17.8 HD3 LYS 31 - HE3 LYS 26 far 4 87 5 - 3.6-17.7 HD3 LYS 24 - HE3 LYS 26 far 4 87 5 - 5.7-13.3 HD3 LYS 26 - HE3 LYS 36 lone 4 94 25 17 3.8-24.9 1031/4.9=3, 10837/10766=2 HD2 LYS 26 - HE2 LYS 36 lone 4 97 25 16 1.9-25.5 1031/4.9=4, 10837/10766=2 HD3 LYS 26 - HE2 LYS 36 lone 4 96 25 16 2.9-24.6 1031/4.9=3, 10837/10766=2 HD2 LYS 36 - HE2 LYS 24 far 0 100 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 75 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 89 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 97 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 96 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 86 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 75 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 88 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 85 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 97 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 88 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 64 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 100 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 95 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 88 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 96 0 - 7.4-26.2 HD3 LYS 19 - HE3 LYS 31 far 0 69 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 87 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 99 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 90 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 69 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 79 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 94 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 79 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.9-25.4 HG LEU 43 - HE2 LYS 36 far 0 65 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 97 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 92 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 99 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 97 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 75 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 93 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 69 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 81 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 69 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 97 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 72 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 81 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 90 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 60 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 92 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 98 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 99 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 75 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 69 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 55 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 1057 from cnoeabs.peaks (1.67, 2.96, 41.80 ppm; 4.72 A): 22 out of 117 assignments used, quality = 1.00: HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.6-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 87 87 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 84 84 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.4-3.0 2.9=100 HD2 LYS 24 - HE2 LYS 19 poor 20 98 20 - 5.2-19.0 HD2 LYS 36 - HE2 LYS 31 poor 19 97 20 - 3.1-14.2 HD2 LYS 26 - HE3 LYS 36 poor 19 96 20 - 3.3-25.8 HD3 LYS 24 - HE3 LYS 19 poor 19 93 20 - 3.7-17.8 HD2 LYS 36 - HE2 LYS 26 poor 18 92 20 - 3.3-25.2 HD3 LYS 26 - HE2 LYS 31 poor 18 90 20 - 4.2-14.6 HD2 LYS 26 - HE3 LYS 31 poor 17 87 20 - 4.9-15.3 HD2 LYS 19 - HE3 LYS 24 poor 16 79 20 - 2.9-18.4 HD3 LYS 36 - HE2 LYS 31 far 15 97 15 - 4.3-13.8 HD2 LYS 31 - HE3 LYS 36 far 15 97 15 - 5.7-13.3 HD3 LYS 31 - HE3 LYS 36 far 14 96 15 - 5.3-12.3 HD2 LYS 24 - HE3 LYS 19 far 14 94 15 - 3.9-18.3 HD2 LYS 26 - HE2 LYS 31 far 14 93 15 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 26 far 13 87 15 - 4.6-18.1 HD3 LYS 36 - HE2 LYS 26 poor 13 92 30 46 4.7-26.1 3.5/1004=7, 3.0/1026=5...(17) HD3 LYS 24 - HE2 LYS 19 poor 11 97 25 44 4.2-18.5 2631/5.1=2, 632/3.8=1...(9) HD2 LYS 19 - HE2 LYS 24 poor 11 80 35 38 2.6-17.0 3.9/2634=3, 5.2/11770=2...(10) HB2 LEU 69 - HE2 LYS 36 far 10 100 10 - 5.7-13.2 HD2 LYS 31 - HE2 LYS 36 far 10 98 10 - 4.6-13.1 HD2 LYS 36 - HE3 LYS 31 far 9 92 10 - 3.6-14.4 HD3 LYS 36 - HE3 LYS 31 far 9 92 10 - 4.8-13.8 HD2 LYS 36 - HE3 LYS 26 poor 9 92 25 40 2.5-24.7 3.5/1003=7...(13) HD3 LYS 36 - HE3 LYS 26 poor 9 92 25 40 3.6-25.8 3.5/1003=7, 3.0/1026=4...(13) HD3 LYS 19 - HE3 LYS 24 poor 9 79 30 38 2.2-19.0 3.9/2634=2, 5.2/11770=2...(14) HD3 LYS 19 - HE2 LYS 24 poor 9 80 30 38 2.7-18.2 3.9/2634=3, 5.2/11770=2...(10) HD2 LYS 31 - HE2 LYS 26 far 9 88 10 - 6.0-18.3 HD3 LYS 26 - HE3 LYS 31 far 8 84 10 - 4.6-14.9 HD2 LYS 24 - HE2 LYS 36 far 5 98 5 - 5.2-24.7 HD2 LYS 31 - HE2 LYS 24 far 5 98 5 - 5.9-17.4 HD3 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.3-12.0 HD3 LYS 24 - HE2 LYS 36 far 5 97 5 - 5.7-25.1 HD3 LYS 31 - HE2 LYS 24 far 5 97 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 5 96 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 5 95 5 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 26 far 4 88 5 - 5.2-17.8 HD3 LYS 31 - HE3 LYS 26 far 4 87 5 - 3.6-17.7 HD3 LYS 24 - HE3 LYS 26 far 4 87 5 - 5.7-13.3 HD3 LYS 26 - HE3 LYS 36 lone 4 94 25 17 3.8-24.9 1031/4.9=3, 10837/10766=2 HD2 LYS 26 - HE2 LYS 36 lone 4 97 25 16 1.9-25.5 1031/4.9=4, 10837/10766=2 HD3 LYS 26 - HE2 LYS 36 lone 4 96 25 16 2.9-24.6 1031/4.9=3, 10837/10766=2 HD2 LYS 36 - HE2 LYS 24 far 0 100 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 75 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 89 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 97 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 96 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 86 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 75 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 88 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 85 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 97 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 88 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 64 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 100 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 95 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 88 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 96 0 - 7.4-26.2 HD3 LYS 19 - HE3 LYS 31 far 0 69 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 87 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 99 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 90 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 69 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 79 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 94 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 79 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.9-25.4 HG LEU 43 - HE2 LYS 36 far 0 65 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 97 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 92 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 99 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 97 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 75 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 93 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 69 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 81 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 69 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 97 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 72 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 81 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 90 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 60 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 92 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 98 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 99 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 75 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 69 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 55 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 1058 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE3 LYS 24 + HE3 LYS 24 OK 99 99 - 100 HE3 LYS 19 + HE3 LYS 19 OK 95 95 - 100 HE2 LYS 31 + HE2 LYS 31 OK 95 95 - 100 HE2 LYS 26 + HE2 LYS 26 OK 87 87 - 100 HE3 LYS 26 + HE3 LYS 26 OK 87 87 - 100 HE3 LYS 31 + HE3 LYS 31 OK 87 87 - 100 Peak 1059 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE3 LYS 24 + HE3 LYS 24 OK 99 99 - 100 HE2 LYS 24 + HE2 LYS 24 OK 99 99 - 100 HE3 LYS 19 + HE3 LYS 19 OK 97 97 - 100 HE2 LYS 31 + HE2 LYS 31 OK 97 97 - 100 HE2 LYS 26 + HE2 LYS 26 OK 90 90 - 100 HE3 LYS 26 + HE3 LYS 26 OK 90 90 - 100 HE3 LYS 31 + HE3 LYS 31 OK 90 90 - 100 Reference assignment not found: HE3 LYS 36 - HE2 LYS 36 Peak 1062 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 5.56 A): 26 out of 147 assignments used, quality = 1.00: * HA LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.9-6.5 6.0=81, 3.0/1064=39...(24) HA LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.9-6.2 6.0=81, 3.0/1064=39...(25) HA LYS 31 + HE2 LYS 31 OK 98 100 100 98 1.9-5.7 6.5=64, 822/3.7=30...(29) HA LYS 19 + HE2 LYS 19 OK 96 98 100 98 3.2-5.7 6.4=66, 627/3.8=28...(34) HA LYS 19 + HE3 LYS 19 OK 96 98 100 98 2.0-5.4 6.4=66, 627/3.8=28...(34) HA LYS 31 + HE3 LYS 31 OK 96 98 100 98 2.5-5.6 6.5=64, 822/3.7=30...(28) HA LYS 26 + HE2 LYS 26 OK 94 97 100 97 2.7-6.4 6.6=60, 627/3.6=31...(23) HA LYS 26 + HE3 LYS 26 OK 94 97 100 97 3.4-6.0 6.6=60, 627/3.6=31...(23) HA PHE 87 + HE3 LYS 86 OK 85 97 90 98 3.9-7.4 4.9/2704=72...(13) HA THR 18 + HE3 LYS 19 OK 58 88 80 82 4.3-9.2 10686/3.8=50, 226/7.3=36...(8) HA THR 25 + HE2 LYS 24 OK 56 86 70 93 2.0-8.6 11128/5.1=32, 9587=25...(16) HA THR 25 + HE2 LYS 26 OK 47 86 60 92 2.9-9.2 582/7.1=40, 11150/3.6=27...(13) HA LYS 19 + HE3 LYS 24 OK 45 99 50 91 2.9-16.7 822/4.0=6, 793/4.0=5...(125) HA THR 18 + HE2 LYS 19 OK 43 88 60 82 2.7-8.8 10686/3.8=50, 226/7.3=36...(8) HA THR 25 + HE3 LYS 24 OK 42 90 50 93 2.3-9.0 11128/5.1=32...(15) HA THR 25 + HE3 LYS 26 OK 39 86 50 92 2.2-9.3 582/7.1=40, 11150/3.6=27...(13) HA LYS 19 + HE2 LYS 24 OK 36 96 40 93 1.9-16.1 822/4.0=6, 793/4.0=5...(160) HA LYS 31 + HE3 LYS 26 OK 33 98 35 98 5.3-18.9 3.0/6337=7, ~6338=6...(173) HA ARG 23 + HE2 LYS 26 OK 33 93 55 64 2.7-12.5 3.8/11618=10, 627/3.6=3...(32) HA LYS 26 + HE2 LYS 31 OK 31 99 35 91 5.0-12.6 790/4.8=7, 822/3.7=7...(129) HA LYS 26 + HE3 LYS 31 OK 31 97 35 92 4.4-13.1 790/4.8=7, 822/3.7=7...(131) HA ARG 23 + HE3 LYS 26 OK 30 93 50 64 2.0-13.5 3.8/11618=7, 627/3.6=3...(36) HA LYS 31 + HE2 LYS 26 OK 29 98 30 97 5.0-18.9 3.0/6337=7, ~6338=6...(173) HA LYS 36 + HE3 LYS 26 OK 26 98 35 76 3.5-29.4 3.0/1003=11, ~1004=8...(36) HA ARG 23 + HE2 LYS 24 OK 24 93 40 64 6.3-9.4 424/7.4=37, 833/4.0=8...(15) HA ARG 23 + HE3 LYS 24 OK 21 97 35 62 5.5-9.3 424/7.4=37, 833/4.0=8...(14) HA ALA 12 - HE3 LYS 19 poor 19 97 20 - 4.5-19.2 HA LYS 36 - HE2 LYS 26 poor 19 98 25 77 3.2-29.7 3.0/1004=10, ~1004=8...(41) HA THR 25 - HE2 LYS 31 poor 18 89 20 - 3.1-14.8 HA THR 18 - HE3 LYS 24 poor 18 89 20 - 4.1-17.6 HA THR 18 - HE2 LYS 24 poor 17 84 20 - 4.8-17.4 HA ALA 16 - HE3 LYS 19 far 15 100 15 - 4.9-11.6 HA ALA 16 - HE2 LYS 19 far 15 100 15 - 5.1-12.4 HA LYS 26 - HE3 LYS 36 far 15 99 15 - 6.7-22.7 HA ARG 23 - HE3 LYS 36 far 14 97 15 - 6.1-25.9 HA LEU 22 - HE2 LYS 26 far 14 96 15 - 4.0-14.7 HA LYS 31 - HE3 LYS 36 poor 14 100 45 31 4.8-12.9 10753/10804=4...(5) HA THR 25 - HE3 LYS 31 far 13 86 15 - 2.8-14.8 HA LEU 22 - HE3 LYS 24 poor 12 99 40 31 1.9-11.8 11967/4.0=13, 6212/7.4=8...(8) HA LEU 22 - HE2 LYS 24 poor 12 96 40 30 3.0-11.0 11967/4.0=13, 6212/7.4=8...(7) HA LYS 26 - HE3 LYS 24 far 10 99 10 - 6.6-11.5 HA LYS 26 - HE2 LYS 36 far 10 98 10 - 5.2-22.3 HA ALA 16 - HE3 LYS 31 far 10 98 10 - 5.0-28.0 HA LYS 26 - HE2 LYS 24 far 10 97 10 - 5.6-11.4 HA ALA 15 - HE2 LYS 31 far 10 97 10 - 5.4-27.5 HA LEU 22 - HE3 LYS 26 far 10 96 10 - 5.2-15.2 HA ARG 23 - HE2 LYS 31 far 10 96 10 - 6.0-17.4 HA ARG 23 - HE2 LYS 36 far 10 95 10 - 5.7-25.3 HA LYS 31 - HE2 LYS 36 poor 9 99 25 36 5.5-13.1 10753/9008=4, ~6337=2...(7) HA THR 25 - HE3 LYS 36 far 9 90 10 - 5.5-23.8 HA ALA 21 - HE2 LYS 26 far 9 88 10 - 6.8-17.6 HA THR 18 - HE2 LYS 31 far 9 88 10 - 5.9-25.3 HA THR 18 - HE3 LYS 31 far 8 84 10 - 5.3-25.8 HA ALA 16 - HE3 LYS 24 far 5 100 5 - 5.5-21.7 HA ALA 16 - HE3 LYS 36 far 5 100 5 - 6.3-32.1 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 5.1-27.7 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 5.6-27.5 HA ALA 16 - HE2 LYS 31 far 5 100 5 - 6.3-27.2 HA ALA 109 - HE3 LYS 19 far 5 100 5 - 6.5-51.9 HA GLN 61 - HE3 LYS 24 far 5 99 5 - 6.3-26.7 HA GLN 61 - HE2 LYS 31 far 5 99 5 - 6.6-24.3 HA ALA 109 - HE3 LYS 26 far 5 98 5 - 4.2-32.2 HA ALA 16 - HE2 LYS 24 far 5 98 5 - 5.1-21.6 HA ALA 108 - HE3 LYS 26 far 5 98 5 - 4.9-30.3 HA ALA 15 - HE3 LYS 24 far 5 97 5 - 2.7-24.2 HA LYS 36 - HE2 LYS 24 far 5 98 5 - 6.4-29.6 HA ALA 109 - HE2 LYS 26 far 5 98 5 - 5.8-33.8 HA LYS 31 - HE2 LYS 24 far 5 98 5 - 6.0-19.7 HA ALA 108 - HE2 LYS 26 far 5 98 5 - 6.6-31.8 HA ALA 108 - HE3 LYS 31 far 5 98 5 - 6.8-33.7 HA GLN 61 - HE2 LYS 26 far 5 97 5 - 2.5-26.5 HA GLN 61 - HE3 LYS 26 far 5 97 5 - 3.6-26.6 HA GLN 61 - HE2 LYS 24 far 5 97 5 - 5.8-25.5 HA GLN 61 - HE3 LYS 31 far 5 97 5 - 6.4-25.1 HA LYS 19 - HE3 LYS 31 far 5 96 5 - 6.8-26.4 HA ALA 110 - HE3 LYS 26 far 5 95 5 - 5.9-33.9 HA ALA 15 - HE2 LYS 24 far 5 94 5 - 3.2-24.3 HA ALA 15 - HE3 LYS 31 far 5 94 5 - 5.9-26.5 HA ALA 21 - HE3 LYS 36 far 5 92 5 - 6.5-28.1 HA THR 18 - HE3 LYS 36 far 4 89 5 - 5.0-33.6 HA THR 25 - HE2 LYS 36 far 4 89 5 - 4.9-23.1 HA THR 18 - HE2 LYS 36 far 4 87 5 - 6.5-32.9 HA ALA 21 - HE3 LYS 24 lone 1 92 40 3 2.0-13.7 HA ALA 21 - HE2 LYS 24 lone 1 88 30 3 2.6-12.5 HA ALA 15 - HE2 LYS 19 lone 1 97 35 2 2.2-14.3 HA ALA 12 - HE2 LYS 19 lone 1 97 25 2 3.7-20.1 HA ALA 15 - HE3 LYS 19 lone 0 97 25 2 2.0-14.9 HA ARG 84 - HE3 LYS 86 far 0 65 0 - 7.1-8.5 HA ALA 108 - HE3 LYS 19 far 0 100 0 - 7.1-50.0 HA ARG 23 - HE3 LYS 31 far 0 93 0 - 7.1-18.5 HA LYS 36 - HE3 LYS 31 far 0 98 0 - 7.1-15.1 HA ALA 21 - HE2 LYS 36 far 0 90 0 - 7.2-27.3 HA ALA 21 - HE3 LYS 31 far 0 88 0 - 7.2-21.7 HA LYS 31 - HE3 LYS 24 far 0 100 0 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 0 100 0 - 7.3-13.7 HA LYS 36 - HE3 LYS 24 far 0 100 0 - 7.3-29.3 HA LYS 19 - HE2 LYS 31 far 0 98 0 - 7.4-25.6 HA THR 25 - HE2 LYS 19 far 0 89 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 95 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 91 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 100 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 89 0 - 7.5-20.7 HA ALA 108 - HE2 LYS 31 far 0 100 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 99 0 - 7.5-31.5 HA LYS 19 - HE2 LYS 26 far 0 96 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 88 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 100 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 99 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 91 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 97 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 96 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 98 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 97 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 99 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 98 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 99 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 96 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 94 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 98 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 98 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 96 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 89 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 90 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 97 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 99 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 91 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 98 0 - 8.9-40.0 HA LYS 19 - HE3 LYS 26 far 0 96 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 97 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 99 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 98 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 97 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 100 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 100 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 100 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 99 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 89 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 84 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 94 0 - 9.6-27.2 HA LYS 19 - HE2 LYS 36 far 0 97 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 98 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 84 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 96 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 100 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 95 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 99 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 86 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 1063 from cnoeabs.peaks (1.82, 2.96, 41.80 ppm; 5.25 A): 27 out of 73 assignments used, quality = 1.00: * HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HB2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 3.3-4.7 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.3-4.8 5.1=100 HB3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.0-5.4 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.3-5.0 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.1 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.0-5.0 4.8=100 HB ILE 32 + HE2 LYS 36 OK 79 99 80 99 3.4-7.6 10833/3.0=25...(57) HB2 LYS 86 + HE3 LYS 86 OK 78 78 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE3 LYS 36 OK 75 100 75 99 2.0-7.9 2.1/10721=28...(56) HB ILE 32 + HE3 LYS 26 OK 54 98 60 92 4.6-19.4 2.1/10721=14, ~10840=12...(59) HB ILE 32 + HE2 LYS 26 OK 50 98 55 92 4.8-19.8 2.1/10766=14, ~10721=12...(60) HB ILE 32 + HE2 LYS 31 OK 50 100 55 91 4.3-9.5 3.2/10804=12, 10825=12...(60) HB3 LYS 31 + HE2 LYS 26 OK 46 97 50 95 2.2-19.2 629/3.6=8, 640/3.6=6...(131) HB3 LYS 31 + HE3 LYS 26 OK 41 97 45 94 3.3-19.0 629/3.6=8, 640/3.6=6...(117) HB ILE 32 + HE3 LYS 31 OK 40 98 45 91 4.6-10.3 10825/1.8=10...(60) HB3 LYS 19 + HE3 LYS 24 OK 40 100 45 88 3.9-16.9 2634=4, 3.0/11770=4...(115) HB2 LYS 36 + HE3 LYS 26 OK 33 98 45 75 2.6-28.9 1.8/1003=11, ~1004=9...(27) HB3 LYS 19 + HE2 LYS 24 OK 30 97 35 89 2.6-16.3 2634=4, 3.0/11770=4...(114) HB3 ARG 23 + HE2 LYS 26 OK 29 97 50 59 3.0-13.9 3.0/11618=10, ~11618=5...(37) HB3 ARG 23 + HE3 LYS 26 OK 28 97 50 59 2.6-15.2 ~11618=8, 3.0/11618=7...(40) HB2 LYS 36 + HE2 LYS 26 OK 27 98 35 80 2.4-29.4 1.8/1004=10, ~1004=9...(35) HB3 LYS 26 + HE2 LYS 31 OK 26 100 30 85 3.9-12.8 989/3.7=6, 835/3.7=5...(92) HB3 LYS 26 + HE3 LYS 31 OK 25 98 30 86 4.4-13.0 989/3.7=6, 835/3.7=5...(89) HB3 LYS 24 - HE2 LYS 19 poor 20 100 20 - 3.5-17.2 HB3 LYS 24 - HE3 LYS 26 poor 20 98 20 - 4.8-12.9 HB2 LYS 36 - HE2 LYS 31 far 15 100 15 - 6.2-12.8 HB3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.9-14.1 HB3 LYS 26 - HE2 LYS 36 far 15 99 15 - 4.2-22.7 HB3 LYS 24 - HE3 LYS 19 poor 15 100 25 60 4.6-17.1 2.9/1025=2, 815/3.8=1...(29) HB3 LYS 31 - HE2 LYS 36 far 15 99 15 - 5.3-14.3 HB2 LYS 36 - HE3 LYS 31 far 15 98 15 - 5.6-14.2 HB3 ARG 23 - HE3 LYS 36 far 10 99 10 - 4.4-24.0 HB3 ARG 23 - HE2 LYS 36 far 10 98 10 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 31 far 10 97 10 - 5.4-20.0 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 26 - HE3 LYS 24 far 5 100 5 - 6.0-13.6 HB3 LYS 24 - HE2 LYS 36 far 5 99 5 - 3.5-25.9 HB3 LYS 31 - HE3 LYS 24 far 5 100 5 - 6.7-20.0 HB3 LYS 31 - HE2 LYS 19 far 5 99 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 19 far 5 99 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 31 far 5 99 5 - 6.5-26.1 HB3 ARG 23 - HE2 LYS 31 far 5 99 5 - 6.3-18.9 HB3 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.2-13.2 HB2 LYS 36 - HE2 LYS 24 far 5 98 5 - 6.1-29.9 HB3 LYS 31 - HE2 LYS 24 far 5 97 5 - 6.0-19.3 HB3 LYS 19 - HE2 LYS 26 far 5 97 5 - 6.1-23.7 HB3 LYS 26 - HE3 LYS 36 lone 4 100 25 17 5.3-23.0 10720/10721=3, 10751/10813=2 HB2 CYS 79 - HE3 LYS 86 far 4 78 5 - 6.5-10.0 HB3 LYS 24 - HE2 LYS 26 lone 3 98 30 10 5.5-13.1 985/9587=1 HB3 ARG 23 - HE3 LYS 24 far 0 99 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 97 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 98 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 100 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 97 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 98 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 96 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 100 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 69 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 76 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 100 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 69 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 1064 from cnoeabs.peaks (1.88, 2.96, 41.80 ppm; 4.45 A): 3 out of 30 assignments used, quality = 1.00: * HB3 LYS 36 + HE3 LYS 36 OK 99 100 100 99 1.9-4.6 4.9=73, 1042/3.0=40...(69) HB3 LYS 36 + HE2 LYS 36 OK 99 99 100 99 2.2-4.8 4.9=73, 1042/3.0=40...(69) HB3 LYS 36 + HE3 LYS 26 OK 23 98 35 66 3.1-28.2 1003=8, 10810/10766=8...(16) HB3 LYS 36 - HE2 LYS 26 poor 20 98 20 - 2.9-28.6 HB2 ARG 90 - HE3 LYS 86 poor 12 60 20 - 3.8-8.5 HB3 LYS 36 - HE2 LYS 31 far 10 100 10 - 5.5-13.6 HB2 GLU 40 - HE3 LYS 24 far 9 92 10 - 5.2-31.0 HB3 LYS 36 - HE2 LYS 24 far 5 98 5 - 4.5-28.8 HB3 LYS 36 - HE3 LYS 31 far 5 98 5 - 5.0-14.6 HB3 LEU 48 - HE3 LYS 24 far 5 97 5 - 4.6-29.1 HB3 LEU 48 - HE3 LYS 36 far 5 97 5 - 5.5-18.0 HB3 LEU 48 - HE2 LYS 26 far 5 94 5 - 4.9-29.1 HB3 LEU 48 - HE3 LYS 26 far 5 94 5 - 5.9-29.3 HB2 GLU 40 - HE3 LYS 36 far 5 92 5 - 4.4-17.2 HB2 GLU 40 - HE2 LYS 31 far 5 91 5 - 5.5-24.2 HB2 GLU 40 - HE2 LYS 36 far 5 90 5 - 5.2-16.4 HB2 GLU 40 - HE2 LYS 24 far 4 88 5 - 5.9-32.4 HB3 LEU 48 - HE2 LYS 24 far 0 94 0 - 6.0-30.7 HB3 LYS 36 - HE3 LYS 24 far 0 100 0 - 6.1-28.5 HB2 GLU 40 - HE3 LYS 31 far 0 88 0 - 6.4-25.8 HB3 LEU 48 - HE2 LYS 36 far 0 96 0 - 6.8-16.7 HB3 LEU 48 - HE3 LYS 31 far 0 94 0 - 7.0-26.5 HB3 LEU 48 - HE2 LYS 31 far 0 97 0 - 7.9-25.3 HB3 ARG 84 - HE3 LYS 86 far 0 82 0 - 8.0-9.9 HB2 GLU 40 - HE3 LYS 26 far 0 88 0 - 8.3-33.7 HB3 LEU 48 - HE3 LYS 19 far 0 97 0 - 8.4-37.7 HB2 GLU 40 - HE2 LYS 26 far 0 88 0 - 8.9-33.6 HB3 LEU 48 - HE2 LYS 19 far 0 97 0 - 9.2-36.0 HB2 GLU 40 - HE2 LYS 19 far 0 91 0 - 9.4-42.7 HB2 GLU 40 - HE3 LYS 19 far 0 91 0 - 9.6-42.3 Violated in 0 structures by 0.00 A. Peak 1065 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 3.99 A): 10 out of 125 assignments used, quality = 1.00: HG2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.1-4.2 4.0=100 * HG2 LYS 36 + HE3 LYS 36 OK 99 100 100 99 2.0-4.2 4.0=99 HG2 LYS 36 + HE2 LYS 36 OK 99 99 100 99 2.6-4.2 4.0=99 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-3.5 3.6=100 HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-3.9 4.0=100 HG3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.1-4.1 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.4-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 89 89 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 89 89 100 100 2.3-3.2 3.8=100 QB ALA 12 - HE2 LYS 19 poor 20 80 25 - 4.2-15.0 QB ALA 28 - HE3 LYS 31 poor 20 98 20 - 4.1-9.8 HG2 LYS 19 - HE3 LYS 24 poor 18 90 20 - 3.9-19.3 HG2 LYS 19 - HE2 LYS 24 poor 17 86 20 - 2.9-18.6 QB ALA 12 - HE3 LYS 19 poor 16 80 20 - 4.2-15.1 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 2.1-13.2 QB ALA 29 - HE2 LYS 31 far 15 100 15 - 4.3-10.0 QB ALA 29 - HE2 LYS 36 far 15 99 15 - 5.2-11.0 QB ALA 29 - HE3 LYS 26 far 15 98 15 - 4.0-12.1 QB ALA 29 - HE2 LYS 26 far 15 98 15 - 4.1-12.1 HG3 LYS 31 - HE3 LYS 36 far 15 97 15 - 4.5-14.3 HG3 LYS 31 - HE2 LYS 36 far 14 96 15 - 4.3-14.3 HG3 LYS 31 - HE3 LYS 26 far 14 94 15 - 4.8-18.3 HG3 LYS 26 - HE3 LYS 36 far 10 100 10 - 4.4-24.9 QB ALA 28 - HE3 LYS 24 far 10 100 10 - 5.3-13.7 HG2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.6-18.0 HG2 LYS 24 - HE2 LYS 19 far 10 100 10 - 4.3-16.8 QB ALA 15 - HE2 LYS 31 far 10 100 10 - 3.9-23.1 HG3 LYS 26 - HE2 LYS 31 far 10 100 10 - 5.0-15.0 QB ALA 29 - HE3 LYS 31 far 10 98 10 - 4.8-10.3 HG2 LYS 36 - HE2 LYS 26 far 10 98 10 - 5.0-27.0 HG2 LYS 36 - HE3 LYS 26 far 10 98 10 - 5.1-26.6 QB ALA 28 - HE2 LYS 24 far 10 98 10 - 4.5-13.8 HG3 LYS 31 - HE2 LYS 26 far 9 94 10 - 4.3-18.5 QB ALA 16 - HE3 LYS 19 far 7 72 10 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 7 72 10 - 4.4-10.6 QB ALA 15 - HE3 LYS 24 far 5 100 5 - 2.0-19.1 HB2 LEU 42 - HE3 LYS 36 far 5 100 5 - 5.0-13.1 QB ALA 29 - HE3 LYS 36 far 5 100 5 - 5.3-11.4 HG3 LYS 26 - HE3 LYS 24 far 5 100 5 - 5.5-12.7 HG3 LYS 95 - HE3 LYS 24 far 5 100 5 - 4.2-36.6 HG2 LYS 36 - HE2 LYS 31 far 5 100 5 - 5.3-13.7 HG2 LYS 24 - HE2 LYS 36 far 5 99 5 - 4.2-26.3 HG3 LYS 26 - HE2 LYS 36 far 5 99 5 - 4.6-24.5 HG2 LYS 95 - HE3 LYS 24 far 5 99 5 - 4.3-36.3 QB ALA 15 - HE2 LYS 24 far 5 98 5 - 2.0-19.1 QB ALA 110 - HE3 LYS 26 far 5 98 5 - 4.0-28.9 HG2 LYS 36 - HE3 LYS 31 far 5 98 5 - 5.1-14.9 HG3 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.0-12.3 QB ALA 109 - HE3 LYS 19 far 5 98 5 - 4.7-41.8 QB ALA 15 - HE3 LYS 31 far 5 98 5 - 4.6-22.3 QB ALA 110 - HE2 LYS 26 far 5 98 5 - 4.9-30.1 HG2 LYS 24 - HE3 LYS 26 far 5 98 5 - 5.4-12.1 QB ALA 109 - HE2 LYS 19 far 5 98 5 - 5.1-43.2 QB ALA 28 - HE3 LYS 26 far 5 98 5 - 5.4-9.7 HG3 LYS 31 - HE3 LYS 24 far 5 97 5 - 5.2-18.7 HG3 LYS 95 - HE2 LYS 24 far 5 97 5 - 5.2-35.1 QB ALA 109 - HE3 LYS 26 far 5 96 5 - 5.3-26.1 HG3 LYS 31 - HE2 LYS 24 far 5 94 5 - 4.1-18.0 QB ALA 28 - HE2 LYS 31 lone 5 100 25 18 4.7-10.1 ~10771=12, 6334/7.1=3 QB ALA 12 - HE3 LYS 24 far 4 81 5 - 5.0-19.7 QB ALA 16 - HE3 LYS 24 far 4 73 5 - 4.4-18.8 QB ALA 16 - HE2 LYS 24 far 3 69 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 3 69 5 - 5.0-24.1 QB ALA 16 - HE3 LYS 36 far 0 73 0 - 5.5-25.6 QB ALA 29 - HE2 LYS 24 far 0 98 0 - 5.6-13.5 HG2 LYS 24 - HE3 LYS 36 far 0 100 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 96 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 100 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 72 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 98 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 98 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 80 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.0-12.2 QB ALA 12 - HE2 LYS 24 far 0 76 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 100 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 100 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 98 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 86 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 99 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 96 0 - 6.6-27.0 HG3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 71 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 100 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 98 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 100 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 99 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 76 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 99 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 89 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 99 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 100 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 96 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 99 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 100 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 100 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 90 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 86 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 98 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 99 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 98 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 98 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 96 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 100 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 100 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 98 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 98 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 98 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 81 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 79 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 69 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 69 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 98 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 1066 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 4.25 A): 14 out of 61 assignments used, quality = 1.00: * HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.5 4.0=100 HG3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.0-4.1 4.0=100 HG3 LYS 86 + HE3 LYS 86 OK 98 98 100 100 3.3-3.7 3.7=100 HG3 LYS 24 + HE3 LYS 24 OK 81 81 100 100 2.2-4.2 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 76 76 100 100 2.0-3.9 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 75 75 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 75 75 100 100 2.3-3.8 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 70 70 100 100 2.3-4.1 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 67 67 100 100 2.1-4.2 3.7=100 HG13 ILE 32 + HE2 LYS 36 OK 29 61 50 94 2.8-9.0 3.2/10721=17...(62) HG13 ILE 32 + HE3 LYS 36 OK 27 63 45 94 3.2-9.5 3.2/10721=19...(62) HG13 ILE 32 + HE2 LYS 31 OK 25 62 55 74 2.3-9.1 2.1/10804=11, ~9008=6...(25) HG13 ILE 32 + HE3 LYS 26 OK 22 59 50 76 2.0-17.3 3.2/10721=10, ~10767=9...(29) HG13 ILE 32 + HE2 LYS 26 OK 20 59 45 77 2.1-17.7 2.1/9008=10...(30) HG3 LYS 24 - HE3 LYS 19 poor 20 80 25 - 4.5-18.1 HG3 LYS 36 - HE2 LYS 26 poor 20 98 20 - 4.5-27.4 HG13 ILE 32 - HE3 LYS 31 poor 18 59 40 75 2.0-9.6 2.1/9008=9, ~10804=8...(29) HG3 LYS 24 - HE2 LYS 19 poor 16 80 20 - 3.7-17.8 HG3 LYS 36 - HE3 LYS 26 poor 15 98 25 62 4.4-26.9 3.0/1004=6...(16) HG3 LYS 19 - HE2 LYS 24 poor 14 72 20 - 3.4-18.5 HG3 LYS 19 - HE3 LYS 24 far 11 76 15 - 4.8-19.1 HG LEU 42 - HE3 LYS 36 far 8 83 10 - 4.4-13.5 HG LEU 42 - HE2 LYS 36 far 8 81 10 - 4.8-12.8 HG2 LYS 31 - HE2 LYS 36 far 7 69 10 - 4.9-14.4 HG2 LYS 31 - HE2 LYS 26 far 7 67 10 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 far 7 67 10 - 5.3-19.4 HG3 LYS 36 - HE2 LYS 31 far 5 100 5 - 4.4-14.3 HG3 LYS 36 - HE3 LYS 31 far 5 98 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 5 98 5 - 4.6-28.4 HG3 LYS 24 - HE3 LYS 36 far 4 81 5 - 4.8-25.5 HG3 LYS 24 - HE2 LYS 36 far 4 79 5 - 3.2-24.6 HG2 LYS 31 - HE3 LYS 24 far 4 71 5 - 4.0-19.0 HG2 LYS 31 - HE3 LYS 36 far 4 71 5 - 5.4-14.2 HG2 LYS 31 - HE2 LYS 24 far 3 67 5 - 3.3-18.4 HG3 LYS 36 - HE3 LYS 24 far 0 100 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 76 0 - 6.5-13.4 HG3 LYS 24 - HE2 LYS 26 far 0 76 0 - 6.7-12.9 QB ALA 52 - HE3 LYS 19 far 0 94 0 - 6.9-30.9 QB ALA 52 - HE3 LYS 24 far 0 95 0 - 7.0-24.3 QB ALA 52 - HE2 LYS 24 far 0 91 0 - 7.1-25.0 HG3 LYS 19 - HE3 LYS 31 far 0 72 0 - 7.1-28.4 HG2 LYS 31 - HE3 LYS 19 far 0 70 0 - 7.3-26.2 QB ALA 52 - HE2 LYS 26 far 0 91 0 - 7.4-24.3 HG3 LYS 19 - HE2 LYS 31 far 0 75 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 59 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 70 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 72 0 - 8.0-25.3 QB ALA 52 - HE2 LYS 19 far 0 94 0 - 8.1-30.6 HG3 LYS 24 - HE3 LYS 31 far 0 76 0 - 8.2-17.8 QB ALA 52 - HE3 LYS 26 far 0 91 0 - 8.2-24.6 HG13 ILE 32 - HE3 LYS 19 far 0 62 0 - 8.4-27.1 QB ALA 52 - HE3 LYS 36 far 0 95 0 - 8.5-17.5 HG3 LYS 24 - HE2 LYS 31 far 0 80 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 62 0 - 8.6-27.3 HG13 ILE 32 - HE3 LYS 24 far 0 63 0 - 8.9-19.1 QB ALA 52 - HE2 LYS 36 far 0 93 0 - 9.0-16.4 HG LEU 42 - HE2 LYS 26 far 0 78 0 - 9.1-27.6 HG3 LYS 19 - HE3 LYS 26 far 0 72 0 - 9.3-25.2 QB ALA 52 - HE3 LYS 31 far 0 91 0 - 9.4-24.2 HG3 LYS 19 - HE3 LYS 36 far 0 76 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 1067 from cnoeabs.peaks (1.67, 2.96, 41.80 ppm; 3.78 A): 22 out of 117 assignments used, quality = 1.00: * HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.6-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 80 80 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 80 80 100 100 2.4-3.0 2.9=100 HD2 LYS 36 - HE3 LYS 26 poor 20 98 20 - 2.5-24.7 HD3 LYS 26 - HE3 LYS 36 poor 19 96 20 - 3.8-24.9 HD3 LYS 26 - HE2 LYS 36 poor 19 94 20 - 2.9-24.6 HD2 LYS 19 - HE2 LYS 24 poor 15 76 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 15 76 20 - 2.7-18.2 HD2 LYS 36 - HE2 LYS 26 far 15 98 15 - 3.3-25.2 HD2 LYS 26 - HE3 LYS 36 far 15 97 15 - 3.3-25.8 HD2 LYS 24 - HE3 LYS 19 far 15 97 15 - 3.9-18.3 HD3 LYS 24 - HE3 LYS 19 far 14 97 15 - 3.7-17.8 HD3 LYS 24 - HE2 LYS 19 far 14 97 15 - 4.2-18.5 HD3 LYS 19 - HE3 LYS 24 far 12 81 15 - 2.2-19.0 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE3 LYS 26 far 10 98 10 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 31 far 10 98 10 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 10 98 10 - 4.7-26.1 HD2 LYS 26 - HE2 LYS 36 far 10 96 10 - 1.9-25.5 HD3 LYS 26 - HE3 LYS 31 far 9 92 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 8 81 10 - 2.9-18.4 HD3 LYS 36 - HE3 LYS 31 far 5 98 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 5 97 5 - 5.0-18.2 HD2 LYS 24 - HE2 LYS 19 far 5 97 5 - 5.2-19.0 HD2 LYS 26 - HE2 LYS 31 far 5 97 5 - 3.3-15.6 HD2 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.6-13.1 HD2 LYS 24 - HE2 LYS 36 far 5 97 5 - 5.2-24.7 HD3 LYS 31 - HE2 LYS 36 far 5 96 5 - 4.3-12.0 HD3 LYS 26 - HE2 LYS 31 far 5 95 5 - 4.2-14.6 HD2 LYS 31 - HE3 LYS 26 far 5 95 5 - 5.2-17.8 HD3 LYS 31 - HE3 LYS 26 far 5 94 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 94 5 - 4.6-18.1 HD3 LYS 31 - HE2 LYS 24 far 5 94 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 94 5 - 4.9-15.3 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 97 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 96 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 80 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 100 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 90 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 94 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 93 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 83 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 80 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 87 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 65 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 98 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 92 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 97 0 - 7.4-26.2 HD3 LYS 19 - HE3 LYS 31 far 0 76 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 100 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 86 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 76 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 97 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 81 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 81 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.9-25.4 HG LEU 43 - HE2 LYS 36 far 0 64 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 99 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 98 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 100 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 97 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 99 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 83 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 97 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 76 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 79 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 76 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 100 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 77 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 79 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 95 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 64 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 96 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 97 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 83 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 61 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 1068 from cnoeabs.peaks (1.67, 2.96, 41.80 ppm; 3.78 A): 22 out of 117 assignments used, quality = 1.00: HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 96 96 100 100 2.6-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.4-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 80 80 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 80 80 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 80 80 100 100 2.4-3.0 2.9=100 HD2 LYS 36 - HE3 LYS 26 poor 20 98 20 - 2.5-24.7 HD3 LYS 26 - HE3 LYS 36 poor 19 96 20 - 3.8-24.9 HD3 LYS 26 - HE2 LYS 36 poor 19 94 20 - 2.9-24.6 HD2 LYS 19 - HE2 LYS 24 poor 15 76 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 15 76 20 - 2.7-18.2 HD2 LYS 36 - HE2 LYS 26 far 15 98 15 - 3.3-25.2 HD2 LYS 26 - HE3 LYS 36 far 15 97 15 - 3.3-25.8 HD2 LYS 24 - HE3 LYS 19 far 15 97 15 - 3.9-18.3 HD3 LYS 24 - HE3 LYS 19 far 14 97 15 - 3.7-17.8 HD3 LYS 24 - HE2 LYS 19 far 14 97 15 - 4.2-18.5 HD3 LYS 19 - HE3 LYS 24 far 12 81 15 - 2.2-19.0 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE3 LYS 26 far 10 98 10 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 31 far 10 98 10 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 10 98 10 - 4.7-26.1 HD2 LYS 26 - HE2 LYS 36 far 10 96 10 - 1.9-25.5 HD3 LYS 26 - HE3 LYS 31 far 9 92 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 8 81 10 - 2.9-18.4 HD3 LYS 36 - HE3 LYS 31 far 5 98 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 5 97 5 - 5.0-18.2 HD2 LYS 24 - HE2 LYS 19 far 5 97 5 - 5.2-19.0 HD2 LYS 26 - HE2 LYS 31 far 5 97 5 - 3.3-15.6 HD2 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.6-13.1 HD2 LYS 24 - HE2 LYS 36 far 5 97 5 - 5.2-24.7 HD3 LYS 31 - HE2 LYS 36 far 5 96 5 - 4.3-12.0 HD3 LYS 26 - HE2 LYS 31 far 5 95 5 - 4.2-14.6 HD2 LYS 31 - HE3 LYS 26 far 5 95 5 - 5.2-17.8 HD3 LYS 31 - HE3 LYS 26 far 5 94 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 94 5 - 4.6-18.1 HD3 LYS 31 - HE2 LYS 24 far 5 94 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 94 5 - 4.9-15.3 HD3 LYS 31 - HE3 LYS 36 far 0 97 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 97 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 96 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 80 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 100 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 90 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 94 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 93 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 83 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 80 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 87 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 65 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 98 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 98 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 92 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 97 0 - 7.4-26.2 HD3 LYS 19 - HE3 LYS 31 far 0 76 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 100 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 86 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 76 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 97 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 81 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 81 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.9-25.4 HG LEU 43 - HE2 LYS 36 far 0 64 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 99 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 98 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 100 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 97 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 99 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 83 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 97 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 76 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 79 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 76 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 100 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 77 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 79 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 95 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 64 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 96 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 97 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 83 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 61 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 1069 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE2 LYS 31 + HE2 LYS 31 OK 98 98 - 100 HE3 LYS 19 + HE3 LYS 19 OK 98 98 - 100 HE2 LYS 24 + HE2 LYS 24 OK 98 98 - 100 HE2 LYS 26 + HE2 LYS 26 OK 94 94 - 100 HE3 LYS 26 + HE3 LYS 26 OK 94 94 - 100 HE3 LYS 31 + HE3 LYS 31 OK 94 94 - 100 Reference assignment not found: HE2 LYS 36 - HE3 LYS 36 Peak 1070 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 * HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 97 97 - 100 HE2 LYS 26 + HE2 LYS 26 OK 97 97 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE2 LYS 24 + HE2 LYS 24 OK 97 97 - 100 Peak 1072 from cnoeabs.peaks (7.97, 4.02, 61.28 ppm; 3.55 A): 3 out of 4 assignments used, quality = 1.00: * H ILE 37 + HA ILE 37 OK 100 100 100 100 2.6-2.9 2.9=100 H SER 38 + HA ILE 37 OK 92 92 100 100 3.1-3.6 3.6=99, 6423/1089=47...(19) H LYS 36 + HA ILE 37 OK 50 60 100 84 4.5-5.0 3.0/10835=22, ~6403=22...(16) H THR 18 - HA ILE 37 far 0 99 0 - 6.3-33.3 Violated in 0 structures by 0.00 A. Peak 1073 from cnoeabs.peaks (4.02, 4.02, 61.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 37 + HA ILE 37 OK 100 100 - 100 Peak 1074 from cnoeabs.peaks (1.97, 4.02, 61.28 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 37 + HA ILE 37 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 27 - HA ILE 37 far 0 100 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 1075 from cnoeabs.peaks (0.94, 4.02, 61.28 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 37 + HA ILE 37 OK 100 100 100 100 2.0-2.7 3.2=100 QG1 VAL 20 - HA ILE 37 far 0 63 0 - 5.2-25.1 QD1 LEU 48 - HA ILE 37 far 0 96 0 - 5.3-12.6 QD2 LEU 48 - HA ILE 37 far 0 65 0 - 6.9-13.6 QG2 VAL 126 - HA ILE 37 far 0 63 0 - 7.4-14.2 QG1 VAL 126 - HA ILE 37 far 0 81 0 - 7.5-14.8 QD1 LEU 49 - HA ILE 37 far 0 76 0 - 8.1-14.3 Violated in 0 structures by 0.00 A. Peak 1076 from cnoeabs.peaks (1.28, 4.02, 61.28 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HA ILE 37 OK 100 100 100 100 3.2-4.1 4.0=100 HB3 LEU 43 - HA ILE 37 far 0 99 0 - 7.8-12.0 Violated in 1 structures by 0.00 A. Peak 1077 from cnoeabs.peaks (1.56, 4.02, 61.28 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 37 + HA ILE 37 OK 100 100 100 100 2.8-4.2 4.0=100 HB3 LEU 42 + HA ILE 37 OK 24 89 30 90 3.5-7.8 ~10821=27, ~10826=27...(12) HG LEU 49 - HA ILE 37 far 0 97 0 - 7.8-15.2 HG2 ARG 23 - HA ILE 37 far 0 93 0 - 8.7-27.8 Violated in 0 structures by 0.00 A. Peak 1078 from cnoeabs.peaks (0.78, 4.02, 61.28 ppm; 3.60 A): 1 out of 7 assignments used, quality = 1.00: * QD1 ILE 37 + HA ILE 37 OK 100 100 100 100 2.4-4.2 1113=100, 1094/1089=74...(33) QD1 ILE 32 - HA ILE 37 far 10 100 10 - 4.0-10.4 QD2 LEU 49 - HA ILE 37 far 0 87 0 - 5.6-12.4 QD2 LEU 43 - HA ILE 37 far 0 73 0 - 6.8-10.4 QG1 VAL 93 - HA ILE 37 far 0 60 0 - 8.7-13.8 QD1 LEU 122 - HA ILE 37 far 0 63 0 - 8.8-18.0 QD1 LEU 96 - HA ILE 37 far 0 99 0 - 8.8-12.9 Violated in 9 structures by 0.21 A. Peak 1079 from cnoeabs.peaks (7.98, 4.02, 61.28 ppm; 3.75 A): 3 out of 4 assignments used, quality = 1.00: * H SER 38 + HA ILE 37 OK 100 100 100 100 3.1-3.6 3.6=100 H ILE 37 + HA ILE 37 OK 92 92 100 100 2.6-2.9 2.9=100 H LYS 36 + HA ILE 37 OK 88 93 100 95 4.5-5.0 10894/3.0=43...(17) H THR 18 - HA ILE 37 far 0 98 0 - 6.3-33.3 Violated in 0 structures by 0.00 A. Peak 1080 from cnoeabs.peaks (7.97, 1.97, 38.06 ppm; 3.52 A): 2 out of 5 assignments used, quality = 1.00: * H ILE 37 + HB ILE 37 OK 100 100 100 100 2.9-3.6 6413=100, 6414/2.1=70...(27) H SER 38 + HB ILE 37 OK 92 92 100 100 1.5-4.4 6422=70, 6423/2.1=56...(30) H LYS 36 - HB ILE 37 poor 19 60 35 90 4.6-5.8 4.4/6413=40, 10894=26...(16) H THR 18 - HB ILE 37 far 5 99 5 - 3.4-32.2 H ASP 64 - HB ILE 37 far 0 99 0 - 9.9-20.8 Violated in 0 structures by 0.00 A. Peak 1081 from cnoeabs.peaks (4.02, 1.97, 38.06 ppm; 4.06 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 37 + HB ILE 37 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 SER 38 + HB ILE 37 OK 40 99 40 99 4.7-7.0 3.9/6422=51, 1.8/9003=37...(28) HA GLN 68 - HB ILE 37 far 7 65 10 - 4.5-12.6 HD3 PRO 81 - HB ILE 37 far 0 89 0 - 8.1-17.1 HA GLU 44 - HB ILE 37 far 0 63 0 - 8.4-13.3 HA VAL 20 - HB ILE 37 far 0 57 0 - 8.5-28.9 Violated in 0 structures by 0.00 A. Peak 1082 from cnoeabs.peaks (1.97, 1.97, 38.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HB ILE 37 OK 100 100 - 100 Peak 1083 from cnoeabs.peaks (0.94, 1.97, 38.06 ppm; 3.25 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 20 - HB ILE 37 far 0 63 0 - 4.8-26.6 QG1 VAL 126 - HB ILE 37 far 0 81 0 - 7.1-14.2 QD1 LEU 48 - HB ILE 37 far 0 96 0 - 7.2-14.3 QD2 LEU 48 - HB ILE 37 far 0 65 0 - 7.6-15.2 QG2 VAL 126 - HB ILE 37 far 0 63 0 - 8.1-14.1 QD1 LEU 49 - HB ILE 37 far 0 76 0 - 9.4-14.2 Violated in 0 structures by 0.00 A. Peak 1084 from cnoeabs.peaks (1.28, 1.97, 38.06 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HB ILE 37 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 43 - HB ILE 37 far 0 99 0 - 8.0-13.1 Violated in 0 structures by 0.00 A. Peak 1085 from cnoeabs.peaks (1.56, 1.97, 38.06 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 37 + HB ILE 37 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 42 + HB ILE 37 OK 24 89 30 89 3.5-8.9 ~10821=29, ~10826=28...(15) HG2 ARG 23 - HB ILE 37 far 0 93 0 - 8.2-28.4 HG LEU 49 - HB ILE 37 far 0 97 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 1086 from cnoeabs.peaks (0.78, 1.97, 38.06 ppm; 3.61 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 QD1 ILE 32 - HB ILE 37 far 0 100 0 - 5.5-10.8 QD2 LEU 49 - HB ILE 37 far 0 87 0 - 6.8-12.6 QD2 LEU 43 - HB ILE 37 far 0 73 0 - 7.0-11.4 QD1 LEU 96 - HB ILE 37 far 0 99 0 - 8.1-13.1 QG1 VAL 93 - HB ILE 37 far 0 60 0 - 8.6-12.6 QD1 LEU 122 - HB ILE 37 far 0 63 0 - 8.6-17.8 QG1 VAL 63 - HB ILE 37 far 0 100 0 - 9.3-17.2 QD2 LEU 122 - HB ILE 37 far 0 99 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 1087 from cnoeabs.peaks (7.98, 1.97, 38.06 ppm; 3.82 A): 3 out of 5 assignments used, quality = 1.00: * H SER 38 + HB ILE 37 OK 100 100 100 100 1.5-4.4 6422=100, 6423/2.1=74...(31) H ILE 37 + HB ILE 37 OK 92 92 100 100 2.9-3.6 3.8=98, 6414/2.1=70...(28) H LYS 36 + HB ILE 37 OK 41 93 45 99 4.6-5.8 10894=66, 4.4/6413=48...(17) H THR 18 - HB ILE 37 far 5 98 5 - 3.4-32.2 H ASP 64 - HB ILE 37 far 0 76 0 - 9.9-20.8 Violated in 0 structures by 0.00 A. Peak 1088 from cnoeabs.peaks (7.97, 0.94, 17.33 ppm; 3.47 A): 3 out of 6 assignments used, quality = 1.00: * H ILE 37 + QG2 ILE 37 OK 100 100 100 100 1.8-3.8 6414=100, 6413/2.1=78...(29) H SER 38 + QG2 ILE 37 OK 92 92 100 100 3.3-4.4 6423=76, 3.6/1089=53...(29) H LYS 36 + QG2 ILE 37 OK 28 60 50 94 3.1-5.4 4.4/6414=35...(20) H THR 18 - QG2 ILE 37 far 5 99 5 - 4.4-27.1 H ASP 64 - QG2 ILE 37 far 0 99 0 - 7.5-16.5 H SER 124 - QG2 ILE 37 far 0 81 0 - 9.9-17.7 Violated in 0 structures by 0.00 A. Peak 1089 from cnoeabs.peaks (4.02, 0.94, 17.33 ppm; 3.25 A): 1 out of 9 assignments used, quality = 1.00: * HA ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.0-2.7 3.2=100 HA GLN 68 - QG2 ILE 37 far 10 65 15 - 3.1-9.4 HB2 SER 38 - QG2 ILE 37 far 0 99 0 - 5.7-6.9 HA VAL 20 - QG2 ILE 37 far 0 57 0 - 6.0-24.4 HD3 PRO 81 - QG2 ILE 37 far 0 89 0 - 6.9-13.5 HA GLU 44 - QG2 ILE 37 far 0 63 0 - 7.3-11.8 HA LEU 122 - QG2 ILE 37 far 0 60 0 - 8.6-16.5 HA SER 50 - QG2 ILE 37 far 0 73 0 - 9.6-16.6 HA LEU 96 - QG2 ILE 37 far 0 81 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 1090 from cnoeabs.peaks (1.97, 0.94, 17.33 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1091 from cnoeabs.peaks (0.94, 0.94, 17.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 37 + QG2 ILE 37 OK 100 100 - 100 Peak 1092 from cnoeabs.peaks (1.28, 0.94, 17.33 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 HB3 LEU 43 - QG2 ILE 37 far 0 99 0 - 7.8-11.4 Violated in 3 structures by 0.00 A. Peak 1093 from cnoeabs.peaks (1.56, 0.94, 17.33 ppm; 3.27 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.0-3.0 3.2=100 HB3 LEU 42 - QG2 ILE 37 poor 18 89 20 - 3.6-8.0 HG LEU 49 - QG2 ILE 37 far 0 97 0 - 6.2-13.0 HG2 ARG 23 - QG2 ILE 37 far 0 93 0 - 6.2-23.9 HG LEU 123 - QG2 ILE 37 far 0 99 0 - 8.7-17.7 HB2 LEU 22 - QG2 ILE 37 far 0 89 0 - 8.8-23.2 Violated in 0 structures by 0.00 A. Peak 1094 from cnoeabs.peaks (0.78, 0.94, 17.33 ppm; 2.89 A): 1 out of 12 assignments used, quality = 1.00: * QD1 ILE 37 + QG2 ILE 37 OK 100 100 100 100 1.8-3.2 1115=100, 2.1/1093=57...(33) QD2 LEU 49 - QG2 ILE 37 far 4 87 5 - 4.0-10.0 QD1 ILE 32 - QG2 ILE 37 far 0 100 0 - 4.6-8.6 QD1 LEU 122 - QG2 ILE 37 far 0 63 0 - 5.7-13.9 QD1 LEU 96 - QG2 ILE 37 far 0 99 0 - 6.1-9.7 QD2 LEU 43 - QG2 ILE 37 far 0 73 0 - 6.8-9.7 QD2 LEU 122 - QG2 ILE 37 far 0 99 0 - 6.9-13.7 QG1 VAL 93 - QG2 ILE 37 far 0 60 0 - 7.1-10.9 QG1 VAL 63 - QG2 ILE 37 far 0 100 0 - 7.2-13.5 HG12 ILE 129 - QG2 ILE 37 far 0 60 0 - 9.5-13.7 QD1 LEU 53 - QG2 ILE 37 far 0 92 0 - 9.7-15.1 QD2 LEU 119 - QG2 ILE 37 far 0 78 0 - 9.9-18.3 Violated in 2 structures by 0.03 A. Peak 1095 from cnoeabs.peaks (7.98, 0.94, 17.33 ppm; 3.70 A): 3 out of 6 assignments used, quality = 1.00: * H SER 38 + QG2 ILE 37 OK 100 100 100 100 3.3-4.4 6423=100, 6422/2.1=66...(29) H ILE 37 + QG2 ILE 37 OK 92 92 100 100 1.8-3.8 6414=88, 6413/2.1=74...(29) H LYS 36 + QG2 ILE 37 OK 51 93 55 99 3.1-5.4 10894/2.1=50...(21) H THR 18 - QG2 ILE 37 far 5 98 5 - 4.4-27.1 H ASP 64 - QG2 ILE 37 far 0 76 0 - 7.5-16.5 H ILE 129 - QG2 ILE 37 far 0 81 0 - 9.1-13.4 Violated in 0 structures by 0.00 A. Peak 1096 from cnoeabs.peaks (7.97, 1.28, 27.60 ppm; 3.78 A): 3 out of 5 assignments used, quality = 1.00: * H ILE 37 + HG12 ILE 37 OK 100 100 100 100 1.5-3.3 6415=100, 6416/1.8=86...(25) H SER 38 + HG12 ILE 37 OK 92 92 100 100 2.2-3.6 6423/1092=51...(25) H LYS 36 + HG12 ILE 37 OK 57 60 100 94 2.7-4.9 4.4/6415=43...(17) H THR 18 - HG12 ILE 37 far 5 99 5 - 4.4-31.7 H ASP 64 - HG12 ILE 37 far 0 99 0 - 9.7-19.8 Violated in 0 structures by 0.00 A. Peak 1097 from cnoeabs.peaks (4.02, 1.28, 27.60 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 37 + HG12 ILE 37 OK 100 100 100 100 3.2-4.1 1076=93, 1105/1.8=75...(32) HA GLN 68 - HG12 ILE 37 far 3 65 5 - 4.8-11.6 HB2 SER 38 - HG12 ILE 37 far 0 99 0 - 5.5-7.0 HA VAL 20 - HG12 ILE 37 far 0 57 0 - 9.0-29.3 HD3 PRO 81 - HG12 ILE 37 far 0 89 0 - 9.3-19.0 HA GLU 44 - HG12 ILE 37 far 0 63 0 - 9.9-13.1 Violated in 1 structures by 0.02 A. Peak 1098 from cnoeabs.peaks (1.97, 1.28, 27.60 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HG12 ILE 37 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1099 from cnoeabs.peaks (0.94, 1.28, 27.60 ppm; 3.43 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 37 + HG12 ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 QG1 VAL 20 - HG12 ILE 37 far 0 63 0 - 5.1-25.2 QD1 LEU 48 - HG12 ILE 37 far 0 96 0 - 6.3-13.7 QD2 LEU 48 - HG12 ILE 37 far 0 65 0 - 8.0-14.5 QG1 VAL 126 - HG12 ILE 37 far 0 81 0 - 8.7-14.1 QG2 VAL 126 - HG12 ILE 37 far 0 63 0 - 8.8-14.4 QD1 LEU 49 - HG12 ILE 37 far 0 76 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 1100 from cnoeabs.peaks (1.28, 1.28, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 37 + HG12 ILE 37 OK 100 100 - 100 Peak 1101 from cnoeabs.peaks (1.56, 1.28, 27.60 ppm; 2.76 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 37 + HG12 ILE 37 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 42 - HG12 ILE 37 far 4 89 5 - 4.2-9.8 HG2 ARG 23 - HG12 ILE 37 far 0 93 0 - 7.8-28.4 HG LEU 49 - HG12 ILE 37 far 0 97 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 1102 from cnoeabs.peaks (0.78, 1.28, 27.60 ppm; 3.15 A): 1 out of 8 assignments used, quality = 1.00: * QD1 ILE 37 + HG12 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 32 - HG12 ILE 37 far 0 100 0 - 5.2-10.4 QD2 LEU 49 - HG12 ILE 37 far 0 87 0 - 6.9-12.2 QD2 LEU 43 - HG12 ILE 37 far 0 73 0 - 7.5-12.1 QG1 VAL 93 - HG12 ILE 37 far 0 60 0 - 8.2-13.0 QD1 LEU 122 - HG12 ILE 37 far 0 63 0 - 9.2-17.7 QD1 LEU 96 - HG12 ILE 37 far 0 99 0 - 9.4-13.1 QG1 VAL 63 - HG12 ILE 37 far 0 100 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 1103 from cnoeabs.peaks (7.98, 1.28, 27.60 ppm; 4.18 A): 3 out of 5 assignments used, quality = 1.00: * H SER 38 + HG12 ILE 37 OK 100 100 100 100 2.2-3.6 6424=72, 6423/1092=69...(25) H LYS 36 + HG12 ILE 37 OK 93 93 100 99 2.7-4.9 10894/2.9=54...(17) H ILE 37 + HG12 ILE 37 OK 92 92 100 100 1.5-3.3 6415=88, 6416/1.8=83...(25) H THR 18 - HG12 ILE 37 far 5 98 5 - 4.4-31.7 H ASP 64 - HG12 ILE 37 far 0 76 0 - 9.7-19.8 Violated in 0 structures by 0.00 A. Peak 1104 from cnoeabs.peaks (7.97, 1.56, 27.60 ppm; 3.73 A): 3 out of 5 assignments used, quality = 1.00: * H ILE 37 + HG13 ILE 37 OK 100 100 100 100 1.8-3.6 6416=100, 6415/1.8=84...(21) H SER 38 + HG13 ILE 37 OK 92 92 100 100 2.6-4.6 6423/1093=51...(23) H LYS 36 + HG13 ILE 37 OK 53 60 100 88 3.2-5.1 4.4/6416=42...(13) H THR 18 - HG13 ILE 37 far 5 99 5 - 4.0-31.9 H ASP 64 - HG13 ILE 37 far 0 99 0 - 8.1-20.7 Violated in 0 structures by 0.00 A. Peak 1105 from cnoeabs.peaks (4.02, 1.56, 27.60 ppm; 3.91 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.8-4.2 4.0=95, 1097/1.8=79...(31) HA GLN 68 - HG13 ILE 37 far 10 65 15 - 3.3-12.3 HB2 SER 38 - HG13 ILE 37 far 5 99 5 - 4.9-8.0 HD3 PRO 81 - HG13 ILE 37 far 0 89 0 - 8.4-19.1 HA VAL 20 - HG13 ILE 37 far 0 57 0 - 9.2-29.6 Violated in 11 structures by 0.05 A. Peak 1106 from cnoeabs.peaks (1.97, 1.56, 27.60 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1107 from cnoeabs.peaks (0.94, 1.56, 27.60 ppm; 3.58 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.0-3.0 3.2=100 QG1 VAL 20 - HG13 ILE 37 far 0 63 0 - 5.8-24.7 QD1 LEU 48 - HG13 ILE 37 far 0 96 0 - 6.5-15.0 QG1 VAL 126 - HG13 ILE 37 far 0 81 0 - 7.8-14.8 QD2 LEU 48 - HG13 ILE 37 far 0 65 0 - 8.0-15.6 QG2 VAL 126 - HG13 ILE 37 far 0 63 0 - 8.1-15.2 QD1 LEU 49 - HG13 ILE 37 far 0 76 0 - 9.1-15.1 Violated in 0 structures by 0.00 A. Peak 1108 from cnoeabs.peaks (1.28, 1.56, 27.60 ppm; 2.74 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HG13 ILE 37 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 43 - HG13 ILE 37 far 0 99 0 - 9.6-14.9 Violated in 0 structures by 0.00 A. Peak 1109 from cnoeabs.peaks (1.56, 1.56, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 37 + HG13 ILE 37 OK 100 100 - 100 Peak 1110 from cnoeabs.peaks (0.78, 1.56, 27.60 ppm; 3.21 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 32 - HG13 ILE 37 far 5 100 5 - 4.4-9.6 QD2 LEU 49 - HG13 ILE 37 far 0 87 0 - 6.5-13.0 QD2 LEU 43 - HG13 ILE 37 far 0 73 0 - 7.3-12.9 QD1 LEU 122 - HG13 ILE 37 far 0 63 0 - 8.0-18.4 QG1 VAL 63 - HG13 ILE 37 far 0 100 0 - 8.1-17.1 QD1 LEU 96 - HG13 ILE 37 far 0 99 0 - 9.0-13.2 QD2 LEU 122 - HG13 ILE 37 far 0 99 0 - 9.1-17.6 QG1 VAL 93 - HG13 ILE 37 far 0 60 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 1111 from cnoeabs.peaks (7.98, 1.56, 27.60 ppm; 4.18 A): 3 out of 5 assignments used, quality = 1.00: * H SER 38 + HG13 ILE 37 OK 100 100 100 100 2.6-4.6 6423/1093=70...(24) H ILE 37 + HG13 ILE 37 OK 92 92 100 100 1.8-3.6 6416=88, 6415/1.8=82...(22) H LYS 36 + HG13 ILE 37 OK 92 93 100 98 3.2-5.1 10894/2.9=54...(13) H THR 18 - HG13 ILE 37 far 5 98 5 - 4.0-31.9 H ASP 64 - HG13 ILE 37 far 0 76 0 - 8.1-20.7 Violated in 0 structures by 0.00 A. Peak 1112 from cnoeabs.peaks (7.97, 0.78, 12.10 ppm; 3.91 A): 3 out of 6 assignments used, quality = 1.00: * H ILE 37 + QD1 ILE 37 OK 100 100 100 100 1.9-4.4 6417=100, 6416/2.1=84...(28) H SER 38 + QD1 ILE 37 OK 92 92 100 100 1.8-4.5 6426=65, 6423/1094=60...(29) H LYS 36 + QD1 ILE 37 OK 55 60 95 97 2.9-5.9 4.4/6417=44...(23) H THR 18 - QD1 ILE 37 far 5 99 5 - 5.3-26.9 H ASP 64 - QD1 ILE 37 far 0 99 0 - 7.0-15.5 H SER 51 - QD1 ILE 37 far 0 89 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 1113 from cnoeabs.peaks (4.02, 0.78, 12.10 ppm; 3.59 A): 1 out of 9 assignments used, quality = 1.00: * HA ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.4-4.2 1078=99, 1089/1094=74...(33) HB2 SER 38 - QD1 ILE 37 poor 20 99 20 - 4.4-7.3 HA GLN 68 - QD1 ILE 37 poor 13 65 20 - 2.9-8.9 HD3 PRO 81 - QD1 ILE 37 far 0 89 0 - 6.9-15.7 HA GLU 44 - QD1 ILE 37 far 0 63 0 - 7.2-12.4 HA VAL 20 - QD1 ILE 37 far 0 57 0 - 9.1-24.3 HA SER 50 - QD1 ILE 37 far 0 73 0 - 9.6-17.0 HA SER 60 - QD1 ILE 37 far 0 97 0 - 9.7-18.7 HA LEU 122 - QD1 ILE 37 far 0 60 0 - 10.0-16.0 Violated in 10 structures by 0.21 A. Peak 1114 from cnoeabs.peaks (1.97, 0.78, 12.10 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 HB2 GLU 30 - QD1 ILE 37 far 0 96 0 - 9.3-14.4 HB2 GLN 27 - QD1 ILE 37 far 0 100 0 - 9.5-15.5 HB3 PRO 81 - QD1 ILE 37 far 0 76 0 - 9.7-17.5 Violated in 0 structures by 0.00 A. Peak 1115 from cnoeabs.peaks (0.94, 0.78, 12.10 ppm; 2.82 A): 1 out of 12 assignments used, quality = 1.00: * QG2 ILE 37 + QD1 ILE 37 OK 100 100 100 100 1.8-3.2 1094=100, 1093/2.1=55...(33) QD1 LEU 48 - QD1 ILE 37 far 5 96 5 - 3.7-11.5 QD2 LEU 48 - QD1 ILE 37 far 0 65 0 - 5.1-12.2 QG1 VAL 20 - QD1 ILE 37 far 0 63 0 - 5.9-21.9 QG2 VAL 126 - QD1 ILE 37 far 0 63 0 - 6.0-11.8 QG1 VAL 126 - QD1 ILE 37 far 0 81 0 - 6.0-10.9 QD1 LEU 49 - QD1 ILE 37 far 0 76 0 - 6.3-11.8 QD1 LEU 123 - QD1 ILE 37 far 0 99 0 - 7.4-14.5 QG1 VAL 57 - QD1 ILE 37 far 0 95 0 - 8.0-18.1 QD1 LEU 62 - QD1 ILE 37 far 0 78 0 - 8.3-15.7 QG2 VAL 63 - QD1 ILE 37 far 0 71 0 - 8.7-14.5 QG1 VAL 105 - QD1 ILE 37 far 0 73 0 - 9.8-17.4 Violated in 2 structures by 0.03 A. Peak 1116 from cnoeabs.peaks (1.28, 0.78, 12.10 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 43 - QD1 ILE 37 far 0 99 0 - 6.6-11.9 Violated in 0 structures by 0.00 A. Peak 1117 from cnoeabs.peaks (1.56, 0.78, 12.10 ppm; 3.07 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 42 - QD1 ILE 37 poor 15 89 30 58 2.1-8.4 ~10826=12, ~10821=12...(10) HG LEU 49 - QD1 ILE 37 far 0 97 0 - 6.2-13.2 HG2 ARG 23 - QD1 ILE 37 far 0 93 0 - 8.3-23.4 HG LEU 123 - QD1 ILE 37 far 0 99 0 - 8.5-17.6 Violated in 0 structures by 0.00 A. Peak 1118 from cnoeabs.peaks (0.78, 0.78, 12.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 37 + QD1 ILE 37 OK 100 100 - 100 Peak 1119 from cnoeabs.peaks (7.98, 0.78, 12.10 ppm; 4.11 A): 3 out of 7 assignments used, quality = 1.00: * H SER 38 + QD1 ILE 37 OK 100 100 100 100 1.8-4.5 6426=86, 6423/1094=74...(29) H ILE 37 + QD1 ILE 37 OK 92 92 100 100 1.9-4.4 6417=88, 6416/2.1=77...(28) H LYS 36 + QD1 ILE 37 OK 88 93 95 100 2.9-5.9 10894/1114=50...(23) H THR 18 - QD1 ILE 37 far 5 98 5 - 5.3-26.9 H ASP 64 - QD1 ILE 37 far 0 76 0 - 7.0-15.5 H ILE 129 - QD1 ILE 37 far 0 81 0 - 9.5-13.6 H SER 51 - QD1 ILE 37 far 0 100 0 - 9.7-16.8 Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (7.98, 4.54, 58.15 ppm; 4.52 A): 2 out of 4 assignments used, quality = 1.00: * H SER 38 + HA SER 38 OK 100 100 100 100 2.3-2.8 3.0=100 H ILE 37 + HA SER 38 OK 90 92 100 98 4.6-5.6 4.0/10924=52...(12) H LYS 36 - HA SER 38 poor 19 93 20 - 5.3-7.1 H THR 18 - HA SER 38 far 5 98 5 - 5.1-34.4 Violated in 0 structures by 0.00 A. Peak 1121 from cnoeabs.peaks (4.54, 4.54, 58.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + HA SER 38 OK 100 100 - 100 Peak 1122 from cnoeabs.peaks (4.01, 4.54, 58.15 ppm; 3.89 A): 2 out of 5 assignments used, quality = 1.00: * HB2 SER 38 + HA SER 38 OK 100 100 100 100 2.4-2.8 3.0=100 HA ILE 37 + HA SER 38 OK 98 99 100 98 4.8-5.3 3.2/10924=46...(23) HD3 PRO 81 - HA SER 38 far 0 76 0 - 5.8-15.2 HA GLN 68 - HA SER 38 far 0 81 0 - 6.0-14.5 HA VAL 20 - HA SER 38 far 0 73 0 - 7.9-30.7 Violated in 0 structures by 0.00 A. Peak 1123 from cnoeabs.peaks (4.22, 4.54, 58.15 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HB3 SER 38 + HA SER 38 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 34 - HA SER 38 far 15 100 15 - 4.6-8.9 HB THR 18 - HA SER 38 far 3 60 5 - 5.2-36.7 HA GLN 27 - HA SER 38 far 0 81 0 - 9.7-22.2 Violated in 0 structures by 0.00 A. Peak 1124 from cnoeabs.peaks (8.69, 4.54, 58.15 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA SER 38 OK 100 100 100 100 2.2-2.8 3.6=100 Violated in 0 structures by 0.00 A. Peak 1125 from cnoeabs.peaks (7.98, 4.01, 64.43 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * H SER 38 + HB2 SER 38 OK 100 100 100 100 3.4-3.9 3.9=100 H ILE 37 - HB2 SER 38 far 5 92 5 - 5.3-6.9 H LYS 36 - HB2 SER 38 far 0 93 0 - 6.5-8.7 H THR 18 - HB2 SER 38 far 0 98 0 - 6.8-36.5 Violated in 0 structures by 0.00 A. Peak 1126 from cnoeabs.peaks (4.54, 4.01, 64.43 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 38 + HB2 SER 38 OK 100 100 100 100 2.4-2.8 3.0=100 HA ASP 35 - HB2 SER 38 far 13 89 15 - 4.6-8.3 HA TYR 72 - HB2 SER 38 far 0 97 0 - 7.6-11.0 Violated in 0 structures by 0.00 A. Peak 1127 from cnoeabs.peaks (4.01, 4.01, 64.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 38 + HB2 SER 38 OK 100 100 - 100 Peak 1128 from cnoeabs.peaks (4.22, 4.01, 64.43 ppm; 3.06 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 38 + HB2 SER 38 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 34 - HB2 SER 38 far 0 100 0 - 6.2-9.8 HB THR 18 - HB2 SER 38 far 0 60 0 - 7.5-38.9 HA GLN 27 - HB2 SER 38 far 0 81 0 - 8.5-23.7 HB THR 25 - HB2 SER 38 far 0 81 0 - 9.4-28.2 Violated in 0 structures by 0.00 A. Peak 1129 from cnoeabs.peaks (8.69, 4.01, 64.43 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 39 + HB2 SER 38 OK 99 100 100 99 1.9-3.3 4.6=80, 1134/1.8=79...(9) Violated in 0 structures by 0.00 A. Peak 1130 from cnoeabs.peaks (7.98, 4.22, 64.43 ppm; 3.92 A): 3 out of 4 assignments used, quality = 1.00: * H SER 38 + HB3 SER 38 OK 100 100 100 100 2.1-3.9 3.9=98, 6428/1.8=41...(11) H ILE 37 + HB3 SER 38 OK 54 92 65 90 3.8-5.9 4.0/9050=30...(13) H LYS 36 + HB3 SER 38 OK 22 93 45 53 4.8-7.4 10891/9050=23...(5) H THR 18 - HB3 SER 38 far 0 98 0 - 5.5-36.3 Violated in 0 structures by 0.00 A. Peak 1131 from cnoeabs.peaks (4.54, 4.22, 64.43 ppm; 3.47 A): 2 out of 3 assignments used, quality = 1.00: * HA SER 38 + HB3 SER 38 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASP 35 + HB3 SER 38 OK 28 89 45 70 3.1-7.4 10795/1.8=46, 10794=17...(8) HA TYR 72 - HB3 SER 38 far 0 97 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 1132 from cnoeabs.peaks (4.01, 4.22, 64.43 ppm; 3.04 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 38 + HB3 SER 38 OK 100 100 100 100 1.8-1.8 1.8=100 HA ILE 37 - HB3 SER 38 poor 20 99 20 - 3.8-6.2 HA VAL 20 - HB3 SER 38 far 0 73 0 - 6.9-31.9 HD3 PRO 81 - HB3 SER 38 far 0 76 0 - 8.0-16.7 HA GLN 68 - HB3 SER 38 far 0 81 0 - 8.2-15.1 Violated in 0 structures by 0.00 A. Peak 1133 from cnoeabs.peaks (4.22, 4.22, 64.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 38 + HB3 SER 38 OK 100 100 - 100 Peak 1134 from cnoeabs.peaks (8.69, 4.22, 64.43 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 39 + HB3 SER 38 OK 99 100 100 99 3.0-4.4 6435=83, 1129/1.8=75...(9) Violated in 3 structures by 0.02 A. Peak 1135 from cnoeabs.peaks (8.69, 3.40, 59.82 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 100 100 2.6-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 1136 from cnoeabs.peaks (3.40, 3.40, 59.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 Peak 1137 from cnoeabs.peaks (1.76, 3.40, 59.82 ppm; 4.80 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB ILE 80 - HA LYS 39 far 0 73 0 - 7.4-12.3 HB2 ARG 23 - HA LYS 39 far 0 99 0 - 8.8-31.4 HG13 ILE 129 - HA LYS 39 far 0 89 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 1138 from cnoeabs.peaks (2.08, 3.40, 59.82 ppm; 4.52 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 PRO 81 - HA LYS 39 poor 13 65 35 57 5.0-11.4 10574/10578=9...(16) HG3 GLN 134 - HA LYS 39 far 0 100 0 - 6.4-12.3 HB3 GLU 44 - HA LYS 39 far 0 100 0 - 8.4-10.0 HB3 GLN 27 - HA LYS 39 far 0 87 0 - 8.5-25.2 HB VAL 126 - HA LYS 39 far 0 68 0 - 9.5-15.2 Violated in 0 structures by 0.00 A. Peak 1139 from cnoeabs.peaks (1.13, 3.40, 59.82 ppm; 4.65 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.8-4.2 4.0=100 HG3 LYS 39 + HA LYS 39 OK 78 78 100 100 2.9-3.9 4.0=100 QG2 VAL 132 - HA LYS 39 far 0 100 0 - 6.7-11.0 QG1 VAL 132 - HA LYS 39 far 0 100 0 - 8.4-12.2 Violated in 0 structures by 0.00 A. Peak 1140 from cnoeabs.peaks (1.16, 3.40, 59.82 ppm; 4.77 A): 3 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.9-3.9 4.0=100 QB ALA 41 + HA LYS 39 OK 84 93 100 90 4.5-5.3 3.7/6479=52, ~6466=31...(10) HG2 LYS 39 + HA LYS 39 OK 78 78 100 100 2.8-4.2 4.0=100 QG2 VAL 132 - HA LYS 39 far 0 87 0 - 6.7-11.0 QG2 THR 18 - HA LYS 39 far 0 92 0 - 6.9-32.9 QG2 VAL 77 - HA LYS 39 far 0 71 0 - 7.9-10.5 QG1 VAL 132 - HA LYS 39 far 0 68 0 - 8.4-12.2 Violated in 0 structures by 0.00 A. Peak 1141 from cnoeabs.peaks (1.68, 3.40, 59.82 ppm; 5.65 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.9-5.2 5.3=100 HD3 LYS 36 - HA LYS 39 far 15 99 15 - 6.1-14.2 HD2 LYS 36 - HA LYS 39 far 10 99 10 - 6.5-12.5 HB2 LEU 69 - HA LYS 39 far 0 98 0 - 8.6-13.4 HD3 LYS 24 - HA LYS 39 far 0 87 0 - 9.4-30.1 Violated in 0 structures by 0.00 A. Peak 1142 from cnoeabs.peaks (1.71, 3.40, 59.82 ppm; 5.94 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HA LYS 39 OK 100 100 100 100 3.8-4.9 5.3=100 HB2 LEU 43 + HA LYS 39 OK 84 93 90 100 5.1-7.9 3.2/9119=84, 3.2/9122=75...(30) HB ILE 80 - HA LYS 39 far 4 73 5 - 7.4-12.3 HG2 ARG 135 - HA LYS 39 far 0 100 0 - 9.7-14.7 Violated in 0 structures by 0.00 A. Peak 1143 from cnoeabs.peaks (2.93, 3.40, 59.82 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.7-5.8 5.9=100 HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 5.0-6.0 5.9=100 HB2 CYS 45 + HA LYS 39 OK 20 97 25 84 7.4-10.3 9097/10870=58...(4) HG CYS 73 - HA LYS 39 far 10 100 10 - 6.6-11.7 HE2 LYS 36 - HA LYS 39 far 0 68 0 - 8.7-13.5 Violated in 0 structures by 0.00 A. Peak 1144 from cnoeabs.peaks (2.93, 3.40, 59.82 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 5.0-6.0 5.9=100 HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.7-5.8 5.9=100 HB2 CYS 45 - HA LYS 39 poor 19 92 25 81 7.4-10.3 9097/10870=53...(4) HG CYS 73 - HA LYS 39 far 10 98 10 - 6.6-11.7 Violated in 0 structures by 0.00 A. Peak 1145 from cnoeabs.peaks (8.28, 3.40, 59.82 ppm; 4.99 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 40 + HA LYS 39 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 43 + HA LYS 39 OK 99 99 100 100 3.4-4.8 6494=69, 6504/10870=63...(20) H ASP 131 - HA LYS 39 far 0 97 0 - 7.7-12.0 H ALA 21 - HA LYS 39 far 0 65 0 - 8.5-33.4 H LEU 69 - HA LYS 39 far 0 87 0 - 8.6-14.0 Violated in 0 structures by 0.00 A. Peak 1146 from cnoeabs.peaks (7.49, 3.40, 59.82 ppm; 5.66 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LYS 39 OK 100 100 100 100 3.3-4.0 6479=100, 6490/10870=74...(14) H GLN 134 + HA LYS 39 OK 50 100 50 99 5.4-9.7 4250/10578=79...(14) Violated in 0 structures by 0.00 A. Peak 1147 from cnoeabs.peaks (1.38, 3.40, 59.82 ppm; 5.44 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 42 + HA LYS 39 OK 100 100 100 100 2.1-4.2 1.8/1148=93...(12) HG2 LYS 36 - HA LYS 39 far 0 100 0 - 7.9-13.2 QB ALA 12 - HA LYS 39 far 0 85 0 - 8.8-33.2 QB ALA 16 - HA LYS 39 far 0 68 0 - 8.9-30.0 HG2 LYS 24 - HA LYS 39 far 0 100 0 - 9.3-30.2 QB ALA 29 - HA LYS 39 far 0 100 0 - 9.8-16.1 Violated in 0 structures by 0.00 A. Peak 1148 from cnoeabs.peaks (1.54, 3.40, 59.82 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 42 + HA LYS 39 OK 100 100 100 100 2.6-5.0 1.8/1147=85, 1306=84...(11) HG13 ILE 37 - HA LYS 39 far 4 89 5 - 4.7-9.4 Violated in 0 structures by 0.00 A. Peak 1149 from cnoeabs.peaks (8.69, 1.76, 32.42 ppm; 5.03 A): 1 out of 16 assignments used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-3.2 3.9=100 H SER 60 - HB2 LYS 26 far 2 46 5 - 4.7-22.2 H SER 50 - HB2 LYS 26 far 2 34 5 - 5.9-23.4 H HIS 10 - HB2 LYS 19 far 2 32 5 - 3.4-21.4 H HIS 10 - HB2 LYS 24 far 2 32 5 - 4.3-28.6 H SER 50 - HB2 LYS 19 far 1 29 5 - 6.4-35.5 H HIS 8 - HB2 LYS 19 far 0 26 0 - 7.1-28.9 H HIS 7 - HB2 LYS 24 far 0 52 0 - 7.2-33.6 H SER 60 - HB2 LYS 19 far 0 39 0 - 7.7-36.8 H HIS 8 - HB2 LYS 24 far 0 26 0 - 8.4-32.5 H HIS 7 - HB2 LYS 39 far 0 99 0 - 8.8-57.1 H SER 60 - HB2 LYS 24 far 0 39 0 - 9.4-28.9 H LYS 39 - HB2 LYS 19 far 0 54 0 - 9.5-36.2 H HIS 10 - HB2 LYS 26 far 0 38 0 - 9.7-32.7 H LYS 39 - HB2 LYS 24 far 0 54 0 - 9.8-29.3 H HIS 8 - HB2 LYS 39 far 0 60 0 - 9.9-53.0 Violated in 0 structures by 0.00 A. Peak 1150 from cnoeabs.peaks (3.40, 1.76, 32.42 ppm; 5.41 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 67 - HB2 LYS 24 far 3 54 5 - 6.6-24.6 HB3 HIS 67 - HB2 LYS 26 far 0 63 0 - 7.9-18.2 HB3 HIS 67 - HB2 LYS 31 far 0 35 0 - 8.7-18.6 Violated in 0 structures by 0.00 A. Peak 1151 from cnoeabs.peaks (1.76, 1.76, 32.42 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 HB2 LYS 26 + HB2 LYS 26 OK 58 58 - 100 HB2 LYS 19 + HB2 LYS 19 OK 49 49 - 100 HB2 LYS 24 + HB2 LYS 24 OK 46 46 - 100 HB2 LYS 31 + HB2 LYS 31 OK 26 26 - 100 Peak 1152 from cnoeabs.peaks (2.08, 1.76, 32.42 ppm; 3.61 A): 1 out of 35 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB2 LYS 26 poor 20 49 40 - 4.0-7.8 HG3 PRO 81 - HB2 LYS 39 far 10 65 15 - 3.9-12.0 HB3 GLN 27 - HB2 LYS 24 far 2 41 5 - 3.9-13.2 HB3 GLN 27 - HB2 LYS 31 far 1 26 5 - 3.9-11.5 HG3 PRO 58 - HB2 LYS 19 far 0 52 0 - 5.4-35.4 HB2 GLN 61 - HB2 LYS 26 far 0 47 0 - 5.4-25.0 HB3 GLN 61 - HB2 LYS 26 far 0 43 0 - 5.6-24.8 HB3 GLN 27 - HB2 LYS 19 far 0 41 0 - 5.8-22.6 HG3 PRO 58 - HB2 LYS 26 far 0 61 0 - 5.8-25.1 HB3 GLU 44 - HB2 LYS 26 far 0 64 0 - 5.8-27.2 HB2 GLN 61 - HB2 LYS 24 far 0 40 0 - 6.0-25.6 HB3 GLU 44 - HB2 LYS 31 far 0 35 0 - 6.4-22.2 HB3 GLU 44 - HB2 LYS 24 far 0 54 0 - 6.4-29.1 HG3 GLN 134 - HB2 LYS 39 far 0 100 0 - 6.4-13.8 HB3 GLN 61 - HB2 LYS 24 far 0 36 0 - 6.5-25.2 HB2 GLU 102 - HB2 LYS 26 far 0 63 0 - 6.7-28.2 HB VAL 118 - HB2 LYS 24 far 0 36 0 - 6.8-31.1 HG3 PRO 58 - HB2 LYS 24 far 0 52 0 - 7.0-27.8 HB VAL 57 - HB2 LYS 19 far 0 49 0 - 7.1-36.1 HG2 PRO 117 - HB2 LYS 24 far 0 32 0 - 7.6-35.9 HB3 GLN 61 - HB2 LYS 31 far 0 23 0 - 7.9-25.3 HB3 GLN 61 - HB2 LYS 19 far 0 36 0 - 7.9-32.0 HB2 LEU 62 - HB2 LYS 26 far 0 43 0 - 8.3-21.6 HB3 GLU 44 - HB2 LYS 19 far 0 54 0 - 8.6-34.6 HB2 GLN 61 - HB2 LYS 31 far 0 25 0 - 8.6-24.8 HB VAL 57 - HB2 LYS 26 far 0 58 0 - 8.6-24.9 HG3 PRO 117 - HB2 LYS 24 far 0 28 0 - 8.9-37.5 HB VAL 57 - HB2 LYS 24 far 0 49 0 - 9.3-27.4 HB2 GLN 61 - HB2 LYS 19 far 0 40 0 - 9.4-31.4 HB3 GLU 44 - HB2 LYS 39 far 0 100 0 - 9.5-11.6 HG3 PRO 113 - HB2 LYS 19 far 0 41 0 - 9.6-44.0 HB2 GLN 127 - HB2 LYS 26 far 0 43 0 - 9.6-25.1 HB3 GLN 27 - HB2 LYS 39 far 0 87 0 - 9.7-27.2 HB2 GLU 102 - HB2 LYS 24 far 0 54 0 - 9.8-35.3 Violated in 0 structures by 0.00 A. Peak 1153 from cnoeabs.peaks (1.13, 1.76, 32.42 ppm; 5.43 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 78 78 100 100 2.4-3.0 2.9=100 HG12 ILE 32 - HB2 LYS 26 poor 18 33 55 - 2.8-12.7 HG12 ILE 32 - HB2 LYS 24 far 4 28 15 - 4.9-17.9 HG12 ILE 32 - HB2 LYS 19 far 1 27 5 - 6.6-24.0 HB3 LEU 62 - HB2 LYS 26 far 0 59 0 - 7.2-20.7 QG2 VAL 132 - HB2 LYS 39 far 0 100 0 - 7.2-13.1 QG2 THR 115 - HB2 LYS 26 far 0 64 0 - 8.6-25.6 QG1 VAL 132 - HB2 LYS 39 far 0 100 0 - 8.8-14.0 HG3 LYS 39 - HB2 LYS 24 far 0 36 0 - 9.1-32.4 Violated in 0 structures by 0.00 A. Peak 1154 from cnoeabs.peaks (1.16, 1.76, 32.42 ppm; 4.65 A): 6 out of 22 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 39 + HB2 LYS 39 OK 78 78 100 100 2.6-3.0 2.9=100 QG2 THR 18 + HB2 LYS 19 OK 45 45 100 99 3.6-5.3 4.3/6149=67...(24) QB ALA 41 + HB2 LYS 39 OK 33 93 65 54 5.3-6.5 1140/3.0=21, 6453/4.7=16...(5) HG12 ILE 32 + HB2 LYS 31 OK 26 34 80 97 3.3-7.3 6354/4.6=64...(42) HG12 ILE 32 + HB2 LYS 26 OK 26 62 50 83 2.8-12.7 6354/6343=14...(36) QG2 THR 18 - HB2 LYS 24 poor 14 45 30 - 1.9-14.0 HG12 ILE 32 - HB2 LYS 24 far 5 53 10 - 4.9-17.9 QG2 THR 18 - HB2 LYS 31 far 3 29 10 - 5.0-23.5 QB ALA 41 - HB2 LYS 24 far 2 46 5 - 5.8-22.7 QB ALA 41 - HB2 LYS 26 far 0 54 0 - 6.2-20.5 QG2 THR 18 - HB2 LYS 39 far 0 92 0 - 6.5-34.6 QB ALA 41 - HB2 LYS 31 far 0 29 0 - 6.5-14.8 HG12 ILE 32 - HB2 LYS 19 far 0 53 0 - 6.6-24.0 HB3 LEU 62 - HB2 LYS 26 far 0 57 0 - 7.2-20.7 QG2 VAL 132 - HB2 LYS 39 far 0 87 0 - 7.2-13.1 QG2 THR 18 - HB2 LYS 26 far 0 53 0 - 7.3-19.3 QG2 THR 115 - HB2 LYS 26 far 0 43 0 - 8.6-25.6 QB ALA 41 - HB2 LYS 19 far 0 46 0 - 8.6-27.7 QG2 VAL 77 - HB2 LYS 39 far 0 71 0 - 8.8-12.4 QG1 VAL 132 - HB2 LYS 39 far 0 68 0 - 8.8-14.0 HG3 LYS 39 - HB2 LYS 24 far 0 54 0 - 9.1-32.4 Violated in 0 structures by 0.00 A. Peak 1155 from cnoeabs.peaks (1.68, 1.76, 32.42 ppm; 4.35 A): 9 out of 50 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.5 3.6=100 HD2 LYS 26 + HB2 LYS 26 OK 49 49 100 100 2.1-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 46 46 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 43 43 100 100 1.9-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 41 41 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 27 27 100 100 2.9-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 26 26 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 26 26 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 26 26 100 100 2.5-4.2 3.9=100 HD2 LYS 31 - HB2 LYS 26 poor 15 50 30 - 4.5-13.8 HD3 LYS 31 - HB2 LYS 26 poor 12 49 25 - 4.1-13.7 HD3 LYS 26 - HB2 LYS 31 poor 11 24 45 - 2.4-15.6 HD2 LYS 26 - HB2 LYS 31 poor 10 26 40 - 3.3-16.0 HD3 LYS 24 - HB2 LYS 19 poor 10 41 25 - 4.7-15.4 HD2 LYS 19 - HB2 LYS 24 poor 8 26 30 - 4.1-16.1 HD3 LYS 19 - HB2 LYS 24 poor 7 26 25 - 2.7-16.8 HD2 LYS 24 - HB2 LYS 19 far 6 43 15 - 3.7-16.1 HD2 LYS 36 - HB2 LYS 26 far 3 61 5 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 24 far 3 52 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 3 52 5 - 4.2-25.9 HD2 LYS 24 - HB2 LYS 26 far 3 50 5 - 3.6-12.6 HD3 LYS 24 - HB2 LYS 26 far 2 49 5 - 2.0-12.6 HD2 LYS 31 - HB2 LYS 24 far 2 43 5 - 4.7-17.2 HD2 LYS 31 - HB2 LYS 19 far 2 43 5 - 5.1-23.0 HD3 LYS 31 - HB2 LYS 19 far 2 41 5 - 4.6-23.5 HD3 LYS 26 - HB2 LYS 19 far 2 39 5 - 5.6-21.9 HD2 LYS 36 - HB2 LYS 31 far 2 33 5 - 5.5-12.6 HB2 LEU 98 - HB2 LYS 24 far 2 30 5 - 5.1-34.5 HD3 LYS 31 - HB2 LYS 24 far 0 41 0 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 0 41 0 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 0 61 0 - 6.1-21.8 HD3 LYS 24 - HB2 LYS 31 far 0 26 0 - 6.2-19.4 HD2 LYS 26 - HB2 LYS 19 far 0 41 0 - 6.2-21.7 HB2 LEU 98 - HB2 LYS 26 far 0 36 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 33 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 31 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 27 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 31 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 39 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 99 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 87 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 99 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 40 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 52 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 54 0 - 9.5-33.8 HD2 LYS 95 - HB2 LYS 24 far 0 33 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 51 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 60 0 - 9.8-40.0 HD2 LYS 24 - HB2 LYS 39 far 0 89 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 85 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 1156 from cnoeabs.peaks (1.71, 1.76, 32.42 ppm; 4.35 A): 1 out of 12 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-2.7 3.6=100 HG LEU 48 - HB2 LYS 26 far 6 64 10 - 5.0-24.7 HG LEU 48 - HB2 LYS 19 far 3 54 5 - 4.6-31.7 HG LEU 48 - HB2 LYS 24 far 3 54 5 - 5.0-27.0 HB2 LEU 43 - HB2 LYS 39 far 0 93 0 - 6.2-9.6 HG LEU 98 - HB2 LYS 24 far 0 54 0 - 6.4-33.0 HB ILE 80 - HB2 LYS 39 far 0 73 0 - 7.1-13.4 HG LEU 98 - HB2 LYS 26 far 0 63 0 - 7.3-29.2 HG LEU 48 - HB2 LYS 31 far 0 35 0 - 8.3-22.0 HB2 LEU 43 - HB2 LYS 26 far 0 54 0 - 8.4-27.2 HB2 LEU 43 - HB2 LYS 24 far 0 46 0 - 9.0-31.3 HG2 ARG 135 - HB2 LYS 39 far 0 100 0 - 9.4-16.5 Violated in 0 structures by 0.00 A. Peak 1157 from cnoeabs.peaks (2.93, 1.76, 32.42 ppm; 6.80 A): 4 out of 18 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.0-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.7-4.5 4.9=100 HE2 LYS 24 + HB2 LYS 24 OK 33 33 100 100 2.0-4.5 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 29 29 100 100 3.2-5.1 5.1=100 HE2 LYS 36 - HB2 LYS 26 poor 13 36 35 - 3.3-22.3 HE2 LYS 24 - HB2 LYS 19 poor 12 33 35 - 4.1-17.5 HE2 LYS 19 - HB2 LYS 24 poor 10 29 35 - 3.8-18.2 HE2 LYS 24 - HB2 LYS 26 far 4 39 10 - 4.0-13.1 HE2 LYS 36 - HB2 LYS 24 far 3 30 10 - 1.9-26.5 HB2 CYS 45 - HB2 LYS 26 far 3 58 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 3 54 5 - 7.9-33.7 HE2 LYS 24 - HB2 LYS 31 far 2 21 10 - 4.9-20.2 HE2 LYS 19 - HB2 LYS 26 far 0 34 0 - 8.6-23.4 HB2 CYS 45 - HB2 LYS 31 far 0 31 0 - 9.2-18.1 HG CYS 73 - HB2 LYS 39 far 0 100 0 - 9.5-14.6 HB2 CYS 45 - HB2 LYS 39 far 0 97 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 68 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 49 0 - 9.8-25.0 Violated in 0 structures by 0.00 A. Peak 1158 from cnoeabs.peaks (2.93, 1.76, 32.42 ppm; 6.80 A): 3 out of 11 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.7-4.5 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.0-4.6 4.9=100 HE2 LYS 24 + HB2 LYS 24 OK 28 28 100 100 2.0-4.5 5.1=100 HE2 LYS 24 - HB2 LYS 19 poor 10 27 35 - 4.1-17.5 HE2 LYS 24 - HB2 LYS 26 far 3 33 10 - 4.0-13.1 HB2 CYS 45 - HB2 LYS 26 far 3 53 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 3 53 5 - 7.9-33.7 HB2 CYS 45 - HB2 LYS 31 far 0 29 0 - 9.2-18.1 HG CYS 73 - HB2 LYS 39 far 0 98 0 - 9.5-14.6 HB2 CYS 45 - HB2 LYS 39 far 0 92 0 - 9.6-12.2 HB2 CYS 45 - HB2 LYS 24 far 0 45 0 - 9.8-25.0 Violated in 0 structures by 0.00 A. Peak 1159 from cnoeabs.peaks (8.28, 1.76, 32.42 ppm; 4.38 A): 1 out of 24 assignments used, quality = 1.00: * H GLU 40 + HB2 LYS 39 OK 100 100 100 100 2.1-3.7 4.7=83, 6451/1.8=63...(14) H ALA 21 - HB2 LYS 19 poor 17 29 80 74 4.5-6.4 4.7/6161=47...(7) H GLU 30 - HB2 LYS 31 poor 17 26 90 71 3.9-6.0 4.6/6331=44, 7906/4.6=15...(11) H LEU 43 - HB2 LYS 39 far 10 99 10 - 5.5-6.8 H ALA 21 - HB2 LYS 24 poor 6 29 20 - 3.1-10.9 H GLU 30 - HB2 LYS 26 lone 4 49 50 16 3.6-9.7 6305/10770=5, 4.6/6331=4...(4) H ALA 110 - HB2 LYS 26 far 2 46 5 - 5.2-33.5 H GLU 30 - HB2 LYS 19 far 2 41 5 - 4.9-22.1 H ALA 21 - HB2 LYS 26 far 2 34 5 - 5.9-16.9 H GLY 111 - HB2 LYS 19 far 0 36 0 - 6.0-49.5 H LEU 49 - HB2 LYS 26 far 0 43 0 - 6.1-23.1 H GLY 111 - HB2 LYS 26 far 0 43 0 - 6.1-31.3 H LEU 49 - HB2 LYS 19 far 0 36 0 - 6.3-33.7 H GLU 30 - HB2 LYS 24 far 0 41 0 - 6.7-14.2 H ALA 21 - HB2 LYS 39 far 0 65 0 - 7.2-35.5 H GLU 40 - HB2 LYS 24 far 0 54 0 - 7.6-31.1 H LEU 69 - HB2 LYS 24 far 0 41 0 - 7.6-20.7 H ALA 110 - HB2 LYS 19 far 0 39 0 - 7.7-51.8 H SER 99 - HB2 LYS 24 far 0 49 0 - 8.2-31.6 H LEU 69 - HB2 LYS 31 far 0 26 0 - 8.7-15.3 H LEU 49 - HB2 LYS 24 far 0 36 0 - 8.7-27.5 H ASP 131 - HB2 LYS 39 far 0 97 0 - 8.8-14.5 H LEU 43 - HB2 LYS 24 far 0 52 0 - 9.3-28.8 H LEU 43 - HB2 LYS 26 far 0 61 0 - 9.6-24.9 Violated in 0 structures by 0.00 A. Peak 1160 from cnoeabs.peaks (8.69, 2.08, 32.42 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.5 3.9=100 H HIS 7 - HB3 LYS 39 far 0 99 0 - 9.5-56.6 Violated in 0 structures by 0.00 A. Peak 1161 from cnoeabs.peaks (3.40, 2.08, 32.42 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1162 from cnoeabs.peaks (1.76, 2.08, 32.42 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 80 - HB3 LYS 39 far 0 73 0 - 6.8-12.0 HB2 ARG 23 - HB3 LYS 39 far 0 99 0 - 10.0-33.8 Violated in 0 structures by 0.00 A. Peak 1163 from cnoeabs.peaks (2.08, 2.08, 32.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 Peak 1164 from cnoeabs.peaks (1.13, 2.08, 32.42 ppm; 4.92 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 78 78 100 100 2.3-3.0 2.9=100 QG2 VAL 132 - HB3 LYS 39 far 10 100 10 - 6.2-12.0 QG1 VAL 132 - HB3 LYS 39 far 0 100 0 - 8.1-12.8 Violated in 0 structures by 0.00 A. Peak 1165 from cnoeabs.peaks (1.16, 2.08, 32.42 ppm; 5.00 A): 3 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 78 78 100 100 2.2-3.0 2.9=100 QB ALA 41 + HB3 LYS 39 OK 37 93 65 62 5.7-6.8 1140/3.0=24, 6453/4.7=19...(7) QG2 VAL 132 - HB3 LYS 39 far 9 87 10 - 6.2-12.0 QG2 THR 18 - HB3 LYS 39 far 0 92 0 - 6.8-34.5 QG2 VAL 77 - HB3 LYS 39 far 0 71 0 - 7.8-11.6 QG1 VAL 132 - HB3 LYS 39 far 0 68 0 - 8.1-12.8 Violated in 0 structures by 0.00 A. Peak 1166 from cnoeabs.peaks (1.68, 2.08, 32.42 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.0-3.9 3.6=100 HD3 LYS 36 - HB3 LYS 39 far 0 99 0 - 8.3-15.6 HD2 LYS 36 - HB3 LYS 39 far 0 99 0 - 8.7-14.0 HD2 LYS 86 - HB3 LYS 39 far 0 85 0 - 9.7-15.0 HD3 LYS 24 - HB3 LYS 39 far 0 87 0 - 9.8-32.1 Violated in 0 structures by 0.00 A. Peak 1167 from cnoeabs.peaks (1.71, 2.08, 32.42 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.7 3.6=100 HB2 LEU 43 - HB3 LYS 39 far 5 93 5 - 5.9-9.7 HB ILE 80 - HB3 LYS 39 far 0 73 0 - 6.8-12.0 HG2 ARG 135 - HB3 LYS 39 far 0 100 0 - 8.6-15.3 Violated in 0 structures by 0.00 A. Peak 1170 from cnoeabs.peaks (8.28, 2.08, 32.42 ppm; 5.09 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 40 + HB3 LYS 39 OK 100 100 100 100 2.7-4.0 4.7=100 H LEU 43 + HB3 LYS 39 OK 57 99 60 95 4.9-6.8 6494/3.0=57...(11) H ASP 131 - HB3 LYS 39 far 0 97 0 - 7.9-13.8 H ALA 21 - HB3 LYS 39 far 0 65 0 - 8.6-35.5 Violated in 0 structures by 0.00 A. Peak 1172 from cnoeabs.peaks (3.40, 1.13, 24.15 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.8-4.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 1173 from cnoeabs.peaks (1.76, 1.13, 24.15 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.6-3.0 2.9=100 HB ILE 80 - HG2 LYS 39 far 0 73 0 - 7.3-12.0 Violated in 0 structures by 0.00 A. Peak 1174 from cnoeabs.peaks (2.08, 1.13, 24.15 ppm; 4.99 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLN 134 + HG2 LYS 39 OK 40 100 50 81 4.3-11.1 10600/11806=34...(13) HG3 PRO 81 + HG2 LYS 39 OK 33 65 60 83 3.1-12.7 1207/3.0=14, 1196/3.0=13...(25) HB3 GLN 82 - HG2 LYS 39 far 0 95 0 - 8.1-17.6 HB3 GLU 44 - HG2 LYS 39 far 0 100 0 - 9.0-11.4 HB3 GLN 27 - HG2 LYS 39 far 0 87 0 - 9.4-28.6 Violated in 0 structures by 0.00 A. Peak 1175 from cnoeabs.peaks (1.13, 1.13, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 Peak 1176 from cnoeabs.peaks (1.16, 1.13, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HG2 LYS 39 + HG2 LYS 39 OK 78 78 - 100 Reference assignment not found: HG3 LYS 39 - HG2 LYS 39 Peak 1177 from cnoeabs.peaks (1.68, 1.13, 24.15 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 - HG2 LYS 39 far 0 99 0 - 8.7-17.4 HD3 LYS 24 - HG2 LYS 39 far 0 87 0 - 8.8-32.5 HD2 LYS 36 - HG2 LYS 39 far 0 99 0 - 8.9-15.8 Violated in 0 structures by 0.00 A. Peak 1178 from cnoeabs.peaks (1.71, 1.13, 24.15 ppm; 4.96 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 43 + HG2 LYS 39 OK 46 93 50 99 4.1-8.0 ~11901=61, 3.2/11806=43...(37) HB ILE 80 - HG2 LYS 39 far 0 73 0 - 7.3-12.0 HG2 ARG 135 - HG2 LYS 39 far 0 100 0 - 7.4-13.6 Violated in 0 structures by 0.00 A. Peak 1179 from cnoeabs.peaks (2.93, 1.13, 24.15 ppm; 6.16 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-3.8 4.0=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.9 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 99 0 - 7.9-14.5 HG CYS 73 - HG2 LYS 39 far 0 100 0 - 8.4-14.6 HB2 CYS 45 - HG2 LYS 39 far 0 97 0 - 9.7-12.8 HE3 LYS 86 - HG2 LYS 39 far 0 63 0 - 10.0-18.4 Violated in 0 structures by 0.00 A. Peak 1180 from cnoeabs.peaks (2.93, 1.13, 24.15 ppm; 6.16 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.9 4.0=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-3.8 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 97 0 - 7.9-14.5 HG CYS 73 - HG2 LYS 39 far 0 98 0 - 8.4-14.6 HB2 CYS 45 - HG2 LYS 39 far 0 92 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1181 from cnoeabs.peaks (8.28, 1.13, 24.15 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 40 + HG2 LYS 39 OK 100 100 100 100 1.8-4.1 1203/3.0=98, 6448/4.7=91...(19) H LEU 43 + HG2 LYS 39 OK 99 99 100 100 4.0-6.7 6494/4.0=81...(15) H ASP 131 - HG2 LYS 39 far 10 97 10 - 6.9-12.3 H ALA 21 - HG2 LYS 39 far 0 65 0 - 10.0-36.0 Violated in 0 structures by 0.00 A. Peak 1183 from cnoeabs.peaks (3.40, 1.16, 24.15 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.9-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 1184 from cnoeabs.peaks (1.76, 1.16, 24.15 ppm; 6.54 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB ILE 80 - HG3 LYS 39 far 0 73 0 - 8.7-13.0 HB2 LYS 24 - HG3 LYS 39 far 0 93 0 - 9.1-32.4 HB2 ARG 23 - HG3 LYS 39 far 0 99 0 - 9.4-34.8 Violated in 0 structures by 0.00 A. Peak 1185 from cnoeabs.peaks (2.08, 1.16, 24.15 ppm; 5.30 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLN 134 + HG3 LYS 39 OK 54 100 55 98 5.3-11.3 10600/11901=74...(13) HG3 PRO 81 + HG3 LYS 39 OK 32 65 55 89 4.6-12.2 1196/3.0=15, 1207/3.0=15...(26) HB3 GLU 44 - HG3 LYS 39 far 0 100 0 - 8.6-10.1 HB3 GLN 27 - HG3 LYS 39 far 0 87 0 - 8.7-27.5 HB3 GLN 82 - HG3 LYS 39 far 0 95 0 - 9.6-17.1 Violated in 0 structures by 0.00 A. Peak 1186 from cnoeabs.peaks (1.13, 1.16, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HG3 LYS 39 + HG3 LYS 39 OK 78 78 - 100 Reference assignment not found: HG2 LYS 39 - HG3 LYS 39 Peak 1187 from cnoeabs.peaks (1.16, 1.16, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 Peak 1188 from cnoeabs.peaks (1.68, 1.16, 24.15 ppm; 5.05 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 - HG3 LYS 39 far 0 87 0 - 7.1-31.3 HD3 LYS 36 - HG3 LYS 39 far 0 99 0 - 7.5-16.7 HD2 LYS 36 - HG3 LYS 39 far 0 99 0 - 8.4-15.2 HD2 LYS 24 - HG3 LYS 39 far 0 89 0 - 8.6-32.3 Violated in 0 structures by 0.00 A. Peak 1189 from cnoeabs.peaks (1.71, 1.16, 24.15 ppm; 5.42 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LEU 43 + HG3 LYS 39 OK 84 93 90 100 3.5-7.7 3.2/11901=93...(38) HB ILE 80 - HG3 LYS 39 far 0 73 0 - 8.7-13.0 HG2 ARG 135 - HG3 LYS 39 far 0 100 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 1190 from cnoeabs.peaks (2.93, 1.16, 24.15 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-3.3 4.0=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-4.0 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 99 0 - 8.9-15.6 HB2 CYS 45 - HG3 LYS 39 far 0 97 0 - 9.1-11.4 HE2 LYS 36 - HG3 LYS 39 far 0 68 0 - 9.5-16.3 HG CYS 73 - HG3 LYS 39 far 0 100 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 1191 from cnoeabs.peaks (2.93, 1.16, 24.15 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-4.0 4.0=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-3.3 4.0=100 HD2 ARG 135 - HG3 LYS 39 far 0 97 0 - 8.9-15.6 HB2 CYS 45 - HG3 LYS 39 far 0 92 0 - 9.1-11.4 HG CYS 73 - HG3 LYS 39 far 0 98 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 1192 from cnoeabs.peaks (8.28, 1.16, 24.15 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 40 + HG3 LYS 39 OK 100 100 100 100 1.8-2.9 1203/3.0=98, 6448/4.7=91...(24) H LEU 43 + HG3 LYS 39 OK 99 99 100 100 3.7-5.8 6509/11901=97...(20) H ASP 131 - HG3 LYS 39 far 5 97 5 - 7.9-12.7 H ALA 21 - HG3 LYS 39 far 0 65 0 - 8.9-36.6 Violated in 0 structures by 0.00 A. Peak 1193 from cnoeabs.peaks (8.69, 1.68, 29.80 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.1-5.6 5.5=100 H PHE 89 + HD3 LYS 86 OK 57 60 100 95 6.7-7.9 7190/5.5=74, 9866/3.0=45...(8) H PHE 89 + HD2 LYS 86 OK 56 60 100 93 6.3-8.1 7190/5.5=74, 9866/3.0=45...(8) H HIS 7 - HD2 LYS 39 far 5 99 5 - 6.1-59.8 H HIS 8 - HD2 LYS 39 far 3 60 5 - 8.1-55.7 H HIS 10 - HD3 LYS 86 far 0 35 0 - 8.9-53.7 Violated in 0 structures by 0.00 A. Peak 1194 from cnoeabs.peaks (3.40, 1.68, 29.80 ppm; 5.81 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.9-5.2 5.3=100 Violated in 0 structures by 0.00 A. Peak 1195 from cnoeabs.peaks (1.76, 1.68, 29.80 ppm; 4.35 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.5 3.6=100 HB ILE 80 + HD2 LYS 86 OK 31 37 85 100 2.0-6.7 ~11243=38, 2.1/11241=37...(39) HB ILE 80 + HD3 LYS 86 OK 30 37 80 100 2.5-6.5 2.1/11241=40, ~11243=38...(38) HG3 ARG 90 - HD3 LYS 86 poor 6 29 20 - 3.6-9.3 HG3 ARG 90 - HD2 LYS 86 poor 6 29 20 - 3.6-9.0 HB ILE 80 - HD2 LYS 39 far 0 73 0 - 8.0-13.7 HB2 LYS 24 - HD2 LYS 39 far 0 93 0 - 9.5-33.8 HG13 ILE 129 - HD2 LYS 86 far 0 47 0 - 9.9-13.2 HB2 LYS 39 - HD2 LYS 86 far 0 60 0 - 9.9-15.8 HG13 ILE 129 - HD3 LYS 86 far 0 47 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 1196 from cnoeabs.peaks (2.08, 1.68, 29.80 ppm; 4.53 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.0-3.9 3.6=100 HG3 PRO 81 + HD2 LYS 39 OK 22 65 40 83 3.6-11.1 2.3/1166=17, 1207/1.8=15...(25) HG3 GLN 134 - HD2 LYS 39 far 10 100 10 - 5.8-12.6 HB3 GLN 82 - HD3 LYS 86 far 5 53 10 - 5.5-9.9 HB3 GLN 82 - HD2 LYS 86 far 0 53 0 - 6.6-9.7 HG3 PRO 81 - HD3 LYS 86 far 0 32 0 - 7.0-10.5 HG3 PRO 81 - HD2 LYS 86 far 0 32 0 - 7.3-10.3 HB3 GLN 82 - HD2 LYS 39 far 0 95 0 - 9.2-16.5 HB3 LYS 39 - HD2 LYS 86 far 0 60 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 1197 from cnoeabs.peaks (1.13, 1.68, 29.80 ppm; 4.29 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 39 + HD2 LYS 39 OK 78 78 100 100 2.2-3.0 3.0=100 QG1 VAL 132 - HD3 LYS 86 far 0 59 0 - 7.3-10.7 QG2 VAL 132 - HD3 LYS 86 far 0 59 0 - 7.4-10.7 QG2 VAL 132 - HD2 LYS 86 far 0 59 0 - 7.8-10.4 QG1 VAL 132 - HD2 LYS 86 far 0 59 0 - 7.8-10.6 QG2 VAL 132 - HD2 LYS 39 far 0 100 0 - 8.3-13.4 QG1 VAL 132 - HD2 LYS 39 far 0 100 0 - 8.4-14.1 Violated in 0 structures by 0.00 A. Peak 1198 from cnoeabs.peaks (1.16, 1.68, 29.80 ppm; 4.21 A): 4 out of 12 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 78 78 100 100 2.2-3.0 3.0=100 QG2 VAL 77 + HD3 LYS 86 OK 30 35 85 100 2.1-6.5 11340/3.0=55...(39) QG2 VAL 77 + HD2 LYS 86 OK 28 35 80 100 3.0-6.5 11340/3.0=55...(38) QB ALA 41 - HD2 LYS 39 far 5 93 5 - 5.5-7.9 QG1 VAL 132 - HD3 LYS 86 far 0 34 0 - 7.3-10.7 QG2 VAL 132 - HD3 LYS 86 far 0 46 0 - 7.4-10.7 QG2 VAL 132 - HD2 LYS 86 far 0 46 0 - 7.8-10.4 QG1 VAL 132 - HD2 LYS 86 far 0 34 0 - 7.8-10.6 QG2 VAL 132 - HD2 LYS 39 far 0 87 0 - 8.3-13.4 QG1 VAL 132 - HD2 LYS 39 far 0 68 0 - 8.4-14.1 QG2 THR 18 - HD2 LYS 39 far 0 92 0 - 9.0-37.0 Violated in 0 structures by 0.00 A. Peak 1199 from cnoeabs.peaks (1.68, 1.68, 29.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD3 LYS 86 + HD3 LYS 86 OK 45 45 - 100 HD2 LYS 86 + HD2 LYS 86 OK 45 45 - 100 Peak 1200 from cnoeabs.peaks (1.71, 1.68, 29.80 ppm; 2.60 A): 1 out of 10 assignments used, quality = 1.00: * HD3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 80 - HD3 LYS 86 poor 19 37 60 86 2.5-6.5 2.1/11241=16, ~11243=11...(29) HB ILE 80 - HD2 LYS 86 poor 19 37 50 - 2.0-6.7 HG3 ARG 90 - HD3 LYS 86 far 2 45 5 - 3.6-9.3 HG3 ARG 90 - HD2 LYS 86 far 2 45 5 - 3.6-9.0 HB2 LEU 43 - HD2 LYS 39 far 0 93 0 - 5.3-9.7 HB ILE 80 - HD2 LYS 39 far 0 73 0 - 8.0-13.7 HG2 ARG 135 - HD2 LYS 39 far 0 100 0 - 8.5-15.7 HG2 ARG 135 - HD3 LYS 86 far 0 60 0 - 9.2-15.7 HD3 LYS 39 - HD2 LYS 86 far 0 60 0 - 9.6-16.4 Violated in 0 structures by 0.00 A. Peak 1201 from cnoeabs.peaks (2.93, 1.68, 29.80 ppm; 4.52 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HE3 LYS 86 + HD3 LYS 86 OK 31 31 100 100 2.5-3.0 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 31 31 100 100 2.6-3.0 3.0=100 HE3 LYS 39 - HD2 LYS 86 far 0 59 0 - 8.8-17.8 HD2 ARG 135 - HD3 LYS 86 far 0 58 0 - 9.0-15.8 HD2 ARG 135 - HD2 LYS 39 far 0 99 0 - 9.0-16.8 HE2 LYS 39 - HD2 LYS 86 far 0 60 0 - 9.4-18.7 HE2 LYS 24 - HD2 LYS 39 far 0 73 0 - 9.7-34.5 HE2 LYS 36 - HD2 LYS 39 far 0 68 0 - 9.7-18.2 Violated in 0 structures by 0.00 A. Peak 1202 from cnoeabs.peaks (2.93, 1.68, 29.80 ppm; 4.50 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 39 - HD2 LYS 86 far 0 60 0 - 8.8-17.8 HD2 ARG 135 - HD3 LYS 86 far 0 55 0 - 9.0-15.8 HD2 ARG 135 - HD2 LYS 39 far 0 97 0 - 9.0-16.8 HE2 LYS 39 - HD2 LYS 86 far 0 59 0 - 9.4-18.7 HE2 LYS 24 - HD2 LYS 39 far 0 63 0 - 9.7-34.5 Violated in 0 structures by 0.00 A. Peak 1203 from cnoeabs.peaks (8.28, 1.68, 29.80 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 40 + HD2 LYS 39 OK 100 100 100 100 2.2-4.5 6454=64, 3.6/1141=56...(18) H LEU 43 - HD2 LYS 39 far 10 99 10 - 6.0-7.8 H ALA 21 - HD2 LYS 39 far 0 65 0 - 8.9-38.4 H ASP 131 - HD2 LYS 39 far 0 97 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 1204 from cnoeabs.peaks (8.69, 1.71, 29.80 ppm; 5.48 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HD3 LYS 39 OK 100 100 100 100 3.5-5.1 5.5=98, 2.8/1142=80...(9) H HIS 7 - HD3 LYS 39 far 0 99 0 - 7.2-59.1 H HIS 8 - HD3 LYS 39 far 0 60 0 - 9.2-55.1 Violated in 0 structures by 0.00 A. Peak 1205 from cnoeabs.peaks (3.40, 1.71, 29.80 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 3.8-4.9 5.3=100 Violated in 0 structures by 0.00 A. Peak 1206 from cnoeabs.peaks (1.76, 1.71, 29.80 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.0-2.7 3.6=100 HB ILE 80 - HD3 LYS 39 far 0 73 0 - 6.7-12.6 Violated in 0 structures by 0.00 A. Peak 1207 from cnoeabs.peaks (2.08, 1.71, 29.80 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.7 3.6=100 HG3 PRO 81 - HD3 LYS 39 poor 20 65 40 75 2.1-10.9 2.3/1167=15, 1196/1.8=11...(26) HG3 GLN 134 - HD3 LYS 39 far 0 100 0 - 5.6-13.5 HB3 GLN 82 - HD3 LYS 39 far 0 95 0 - 8.0-16.8 HB3 GLU 44 - HD3 LYS 39 far 0 100 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1208 from cnoeabs.peaks (1.13, 1.71, 29.80 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 78 78 100 100 2.6-3.0 3.0=100 QG2 VAL 132 - HD3 LYS 39 far 0 100 0 - 6.8-13.4 QG1 VAL 132 - HD3 LYS 39 far 0 100 0 - 8.7-14.2 Violated in 0 structures by 0.00 A. Peak 1209 from cnoeabs.peaks (1.16, 1.71, 29.80 ppm; 4.17 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 LYS 39 + HD3 LYS 39 OK 78 78 100 100 2.3-3.0 3.0=100 QB ALA 41 - HD3 LYS 39 far 0 93 0 - 6.1-7.9 QG2 VAL 132 - HD3 LYS 39 far 0 87 0 - 6.8-13.4 QG2 THR 18 - HD3 LYS 39 far 0 92 0 - 7.8-36.3 QG1 VAL 132 - HD3 LYS 39 far 0 68 0 - 8.7-14.2 QG2 VAL 77 - HD3 LYS 39 far 0 71 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 1210 from cnoeabs.peaks (1.68, 1.71, 29.80 ppm; 2.60 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 24 - HD3 LYS 39 far 0 87 0 - 8.6-33.5 HD3 LYS 36 - HD3 LYS 39 far 0 99 0 - 9.4-17.0 HD2 LYS 86 - HD3 LYS 39 far 0 85 0 - 9.6-16.4 Violated in 0 structures by 0.00 A. Peak 1211 from cnoeabs.peaks (1.71, 1.71, 29.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 Peak 1212 from cnoeabs.peaks (2.93, 1.71, 29.80 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 99 0 - 9.4-16.9 Violated in 0 structures by 0.00 A. Peak 1213 from cnoeabs.peaks (2.93, 1.71, 29.80 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 97 0 - 9.4-16.9 Violated in 0 structures by 0.00 A. Peak 1214 from cnoeabs.peaks (8.28, 1.71, 29.80 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 40 + HD3 LYS 39 OK 100 100 100 100 2.2-4.6 1203/1.8=100...(17) H LEU 43 + HD3 LYS 39 OK 98 99 100 99 6.4-8.1 6494/1142=72...(10) H ALA 21 - HD3 LYS 39 far 0 65 0 - 8.5-37.5 H ASP 131 - HD3 LYS 39 far 0 97 0 - 8.7-15.0 Violated in 0 structures by 0.00 A. Peak 1216 from cnoeabs.peaks (3.40, 2.93, 41.80 ppm; 5.61 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HE2 LYS 39 OK 100 100 100 100 4.7-5.8 5.9=87, 1141/2.9=82...(15) HA LYS 39 + HE3 LYS 39 OK 99 99 100 100 5.0-6.0 5.9=87, 1141/2.9=82...(13) Violated in 0 structures by 0.00 A. Peak 1217 from cnoeabs.peaks (1.76, 2.93, 41.80 ppm; 5.92 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.0-4.6 4.9=100 HB2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 3.7-4.5 4.9=100 HB ILE 80 - HE3 LYS 39 far 7 71 10 - 6.8-12.7 HB ILE 80 - HE2 LYS 39 far 4 73 5 - 6.8-13.3 Violated in 0 structures by 0.00 A. Peak 1218 from cnoeabs.peaks (2.08, 2.93, 41.80 ppm; 4.63 A): 6 out of 11 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 3.7-5.0 4.9=85, 3.0/1227=33...(15) HB3 LYS 39 + HE3 LYS 39 OK 99 99 100 99 3.1-5.0 4.9=85, ~1141=33...(14) HG3 GLN 134 + HE2 LYS 39 OK 42 100 45 93 3.5-11.2 10600/9120=31, 10602=26...(16) HG3 GLN 134 + HE3 LYS 39 OK 31 99 35 90 4.0-12.9 10600/9120=25...(15) HG3 PRO 81 + HE3 LYS 39 OK 31 64 60 82 2.0-11.0 2.3/10239=15...(23) HG3 PRO 81 + HE2 LYS 39 OK 22 65 40 82 2.3-12.0 1207/2.9=12, 1196/2.9=12...(23) HB3 GLN 82 - HE3 LYS 39 far 0 93 0 - 6.6-15.9 HB3 GLN 82 - HE2 LYS 39 far 0 95 0 - 6.8-16.9 HB3 GLU 44 - HE2 LYS 39 far 0 100 0 - 8.7-12.0 HB3 GLU 44 - HE3 LYS 39 far 0 99 0 - 9.1-13.3 HB3 GLN 27 - HE2 LYS 39 far 0 87 0 - 9.4-29.1 Violated in 0 structures by 0.00 A. Peak 1219 from cnoeabs.peaks (1.13, 2.93, 41.80 ppm; 4.58 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-3.8 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.2-3.9 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 78 78 100 100 2.2-3.3 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 76 76 100 100 2.2-4.0 4.0=100 QG2 VAL 132 - HE3 LYS 39 far 0 99 0 - 6.8-12.0 QG2 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.1-12.0 QG1 VAL 132 - HE3 LYS 39 far 0 99 0 - 7.4-13.6 QG1 VAL 132 - HE2 LYS 39 far 0 100 0 - 7.9-12.9 Violated in 0 structures by 0.00 A. Peak 1220 from cnoeabs.peaks (1.16, 2.93, 41.80 ppm; 4.48 A): 4 out of 13 assignments used, quality = 1.00: * HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.3 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.2-4.0 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 78 78 100 100 2.0-3.8 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 76 76 100 100 2.2-3.9 4.0=100 QB ALA 41 - HE2 LYS 39 far 5 93 5 - 5.4-8.8 QB ALA 41 - HE3 LYS 39 far 0 92 0 - 6.5-9.0 QG2 VAL 132 - HE3 LYS 39 far 0 85 0 - 6.8-12.0 QG2 VAL 132 - HE2 LYS 39 far 0 87 0 - 7.1-12.0 QG1 VAL 132 - HE3 LYS 39 far 0 66 0 - 7.4-13.6 QG1 VAL 132 - HE2 LYS 39 far 0 68 0 - 7.9-12.9 QG2 VAL 77 - HE3 LYS 39 far 0 69 0 - 8.4-13.0 QG2 VAL 77 - HE2 LYS 39 far 0 71 0 - 9.1-13.4 QG2 THR 18 - HE3 LYS 39 far 0 90 0 - 9.2-37.0 Violated in 0 structures by 0.00 A. Peak 1221 from cnoeabs.peaks (1.68, 2.93, 41.80 ppm; 6.80 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.4-3.0 2.9=100 HD3 LYS 24 - HE2 LYS 39 far 0 87 0 - 8.6-34.0 HD3 LYS 36 - HE2 LYS 39 far 0 99 0 - 8.7-18.2 HD2 LYS 86 - HE3 LYS 39 far 0 83 0 - 8.8-17.8 HD2 LYS 86 - HE2 LYS 39 far 0 85 0 - 9.4-18.7 HD2 LYS 36 - HE2 LYS 39 far 0 99 0 - 9.6-17.1 QB ALA 88 - HE3 LYS 39 far 0 87 0 - 9.8-15.4 HD3 LYS 24 - HE3 LYS 39 far 0 85 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 1222 from cnoeabs.peaks (1.71, 2.93, 41.80 ppm; 5.98 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 70 93 75 99 3.9-8.9 3.2/9120=51, 3.2/9123=47...(19) HB2 LEU 43 + HE3 LYS 39 OK 55 92 60 100 5.2-10.3 ~9120=45, 3.2/9123=45...(19) HG2 ARG 135 - HE3 LYS 39 far 15 99 15 - 6.4-14.5 HB ILE 80 - HE3 LYS 39 far 7 71 10 - 6.8-12.7 HG2 ARG 135 - HE2 LYS 39 far 5 100 5 - 6.8-13.4 HB ILE 80 - HE2 LYS 39 far 4 73 5 - 6.8-13.3 Violated in 0 structures by 0.00 A. Peak 1223 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 99 99 - 100 Peak 1224 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 99 99 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 1225 from cnoeabs.peaks (8.28, 2.93, 41.80 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * H GLU 40 + HE2 LYS 39 OK 100 100 100 100 2.0-5.6 1203/2.9=99, 6448/6.4=71...(14) H GLU 40 + HE3 LYS 39 OK 99 99 100 100 2.7-5.8 1203/2.9=99, 6448/6.4=71...(14) H LEU 43 + HE2 LYS 39 OK 98 99 100 99 5.2-7.4 6494/5.9=63...(13) H LEU 43 + HE3 LYS 39 OK 72 98 75 99 6.0-8.7 6494/5.9=63, 4.4/9123=44...(10) H ASP 131 - HE3 LYS 39 far 10 96 10 - 7.5-14.8 H ASP 131 - HE2 LYS 39 far 5 97 5 - 8.0-13.7 Violated in 0 structures by 0.00 A. Peak 1227 from cnoeabs.peaks (3.40, 2.93, 41.80 ppm; 5.61 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HE3 LYS 39 OK 100 100 100 100 5.0-6.0 5.9=87, 1141/2.9=82...(13) HA LYS 39 + HE2 LYS 39 OK 99 99 100 100 4.7-5.8 5.9=87, 1141/2.9=82...(15) Violated in 0 structures by 0.00 A. Peak 1228 from cnoeabs.peaks (1.76, 2.93, 41.80 ppm; 5.49 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.7-4.5 4.9=100 HB2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 3.0-4.6 4.9=100 HB ILE 80 - HE3 LYS 39 far 7 73 10 - 6.8-12.7 HB ILE 80 - HE2 LYS 39 far 4 71 5 - 6.8-13.3 Violated in 0 structures by 0.00 A. Peak 1229 from cnoeabs.peaks (2.08, 2.93, 41.80 ppm; 4.63 A): 6 out of 11 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 3.1-5.0 4.9=85, ~1141=33...(14) HB3 LYS 39 + HE2 LYS 39 OK 99 99 100 99 3.7-5.0 4.9=85, ~1141=33...(15) HG3 GLN 134 + HE2 LYS 39 OK 40 99 45 90 3.5-11.2 10600/9120=28, 10602=26...(15) HG3 PRO 81 + HE3 LYS 39 OK 32 65 60 81 2.0-11.0 2.3/10239=15...(23) HG3 GLN 134 + HE3 LYS 39 OK 31 100 35 89 4.0-12.9 10602/1.8=24...(15) HG3 PRO 81 + HE2 LYS 39 OK 21 64 40 82 2.3-12.0 1207/2.9=12, 1196/2.9=12...(23) HB3 GLN 82 - HE3 LYS 39 far 0 95 0 - 6.6-15.9 HB3 GLN 82 - HE2 LYS 39 far 0 93 0 - 6.8-16.9 HB3 GLU 44 - HE2 LYS 39 far 0 99 0 - 8.7-12.0 HB3 GLU 44 - HE3 LYS 39 far 0 100 0 - 9.1-13.3 HB3 GLN 27 - HE2 LYS 39 far 0 85 0 - 9.4-29.1 Violated in 0 structures by 0.00 A. Peak 1230 from cnoeabs.peaks (1.13, 2.93, 41.80 ppm; 4.58 A): 4 out of 8 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.9 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.0-3.8 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 78 78 100 100 2.2-4.0 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 76 76 100 100 2.2-3.3 4.0=100 QG2 VAL 132 - HE3 LYS 39 far 0 100 0 - 6.8-12.0 QG2 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.1-12.0 QG1 VAL 132 - HE3 LYS 39 far 0 100 0 - 7.4-13.6 QG1 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.9-12.9 Violated in 0 structures by 0.00 A. Peak 1231 from cnoeabs.peaks (1.16, 2.93, 41.80 ppm; 4.48 A): 4 out of 13 assignments used, quality = 1.00: * HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-4.0 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.2-3.3 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 78 78 100 100 2.2-3.9 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 76 76 100 100 2.0-3.8 4.0=100 QB ALA 41 - HE2 LYS 39 far 5 92 5 - 5.4-8.8 QB ALA 41 - HE3 LYS 39 far 0 93 0 - 6.5-9.0 QG2 VAL 132 - HE3 LYS 39 far 0 87 0 - 6.8-12.0 QG2 VAL 132 - HE2 LYS 39 far 0 85 0 - 7.1-12.0 QG1 VAL 132 - HE3 LYS 39 far 0 68 0 - 7.4-13.6 QG1 VAL 132 - HE2 LYS 39 far 0 66 0 - 7.9-12.9 QG2 VAL 77 - HE3 LYS 39 far 0 71 0 - 8.4-13.0 QG2 VAL 77 - HE2 LYS 39 far 0 69 0 - 9.1-13.4 QG2 THR 18 - HE3 LYS 39 far 0 92 0 - 9.2-37.0 Violated in 0 structures by 0.00 A. Peak 1232 from cnoeabs.peaks (1.68, 2.93, 41.80 ppm; 6.80 A): 2 out of 9 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HD2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.2-3.0 2.9=100 HD3 LYS 24 - HE2 LYS 39 far 0 85 0 - 8.6-34.0 HD3 LYS 36 - HE2 LYS 39 far 0 97 0 - 8.7-18.2 HD2 LYS 86 - HE3 LYS 39 far 0 85 0 - 8.8-17.8 HD2 LYS 86 - HE2 LYS 39 far 0 83 0 - 9.4-18.7 HD2 LYS 36 - HE2 LYS 39 far 0 97 0 - 9.6-17.1 QB ALA 88 - HE3 LYS 39 far 0 89 0 - 9.8-15.4 HD3 LYS 24 - HE3 LYS 39 far 0 87 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 1233 from cnoeabs.peaks (1.71, 2.93, 41.80 ppm; 5.35 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.3-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 50 92 55 98 3.9-8.9 3.2/9120=44, 3.2/9123=40...(19) HB2 LEU 43 + HE3 LYS 39 OK 28 93 30 99 5.2-10.3 3.2/9123=39, ~9120=38...(19) HG2 ARG 135 - HE3 LYS 39 far 5 100 5 - 6.4-14.5 HG2 ARG 135 - HE2 LYS 39 far 5 99 5 - 6.8-13.4 HB ILE 80 - HE3 LYS 39 far 4 73 5 - 6.8-12.7 HB ILE 80 - HE2 LYS 39 far 0 71 0 - 6.8-13.3 Violated in 0 structures by 0.00 A. Peak 1234 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 1235 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 Peak 1236 from cnoeabs.peaks (8.28, 2.93, 41.80 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * H GLU 40 + HE3 LYS 39 OK 100 100 100 100 2.7-5.8 1203/2.9=99, 6448/6.4=71...(14) H GLU 40 + HE2 LYS 39 OK 99 99 100 100 2.0-5.6 1203/2.9=99, 6448/6.4=71...(14) H LEU 43 + HE2 LYS 39 OK 97 98 100 99 5.2-7.4 6494/5.9=63...(12) H LEU 43 + HE3 LYS 39 OK 73 99 75 99 6.0-8.7 6494/5.9=63, 4.4/9123=43...(10) H ASP 131 - HE3 LYS 39 far 10 97 10 - 7.5-14.8 H ASP 131 - HE2 LYS 39 far 5 96 5 - 8.0-13.7 Violated in 0 structures by 0.00 A. Peak 1237 from cnoeabs.peaks (8.28, 3.84, 59.43 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 40 + HA GLU 40 OK 100 100 100 100 2.7-2.8 2.8=100 H LEU 43 + HA GLU 40 OK 99 99 100 100 3.5-4.1 3.9/6514=51...(18) H ALA 21 - HA GLU 40 far 0 65 0 - 9.1-35.4 H ASP 131 - HA GLU 40 far 0 97 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 1238 from cnoeabs.peaks (3.84, 3.84, 59.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 40 + HA GLU 40 OK 100 100 - 100 Peak 1239 from cnoeabs.peaks (1.90, 3.84, 59.43 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 36 - HA GLU 40 far 0 92 0 - 7.5-14.3 Violated in 0 structures by 0.00 A. Peak 1240 from cnoeabs.peaks (2.04, 3.84, 59.43 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 40 + HA GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 44 - HA GLU 40 poor 20 96 25 82 4.5-8.1 6526/6514=41...(8) HB2 GLN 134 - HA GLU 40 far 0 92 0 - 6.2-10.7 HB3 GLN 27 - HA GLU 40 far 0 71 0 - 6.5-27.3 HG3 PRO 81 - HA GLU 40 far 0 90 0 - 7.1-15.0 HG3 ARG 135 - HA GLU 40 far 0 100 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 1241 from cnoeabs.peaks (2.31, 3.84, 59.43 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.6-4.0 3.9=100 HB3 GLN 134 - HA GLU 40 poor 14 92 30 51 4.7-9.4 11074/9055=29...(3) HG2 GLU 44 - HA GLU 40 far 4 76 5 - 4.3-8.5 Violated in 0 structures by 0.00 A. Peak 1242 from cnoeabs.peaks (2.39, 3.84, 59.43 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + HA GLU 40 OK 100 100 100 100 2.6-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1243 from cnoeabs.peaks (7.89, 3.84, 59.43 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 41 + HA GLU 40 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1244 from cnoeabs.peaks (8.29, 3.84, 59.43 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HA GLU 40 OK 100 100 100 100 3.5-4.1 6509/9055=51...(18) H GLU 40 + HA GLU 40 OK 99 99 100 100 2.7-2.8 2.8=100 H ALA 21 - HA GLU 40 far 0 83 0 - 9.1-35.4 H ASP 131 - HA GLU 40 far 0 89 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 1245 from cnoeabs.peaks (1.73, 3.84, 59.43 ppm; 4.21 A): 2 out of 6 assignments used, quality = 0.99: HD3 LYS 39 + HA GLU 40 OK 90 93 100 96 3.8-5.7 ~1203=38, 1142/4.9=31...(22) * HB2 LEU 43 + HA GLU 40 OK 90 100 90 100 3.0-6.0 3.2/9055=61, 3.2/9055=54...(26) HB2 LYS 24 - HA GLU 40 far 0 83 0 - 6.8-31.7 HB2 ARG 23 - HA GLU 40 far 0 63 0 - 8.5-33.5 HB2 LYS 31 - HA GLU 40 far 0 90 0 - 9.7-23.0 HG2 ARG 135 - HA GLU 40 far 0 89 0 - 10.0-15.4 Violated in 11 structures by 0.19 A. Peak 1246 from cnoeabs.peaks (1.28, 3.84, 59.43 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HA GLU 40 OK 100 100 100 100 3.2-4.8 3.2/9055=82, 3.2/9055=76...(24) HG12 ILE 37 - HA GLU 40 far 0 99 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 1247 from cnoeabs.peaks (8.28, 1.90, 28.28 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.2-3.6 6459=100, 6460/1.8=80...(11) H LEU 43 + HB2 GLU 40 OK 21 99 30 71 5.1-5.9 6496/6470=26...(9) H ALA 21 - HB2 GLU 40 far 0 65 0 - 8.2-35.7 Violated in 0 structures by 0.00 A. Peak 1248 from cnoeabs.peaks (3.84, 1.90, 28.28 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 33 - HB2 GLU 40 far 0 97 0 - 9.6-18.8 Violated in 0 structures by 0.00 A. Peak 1249 from cnoeabs.peaks (1.90, 1.90, 28.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 40 + HB2 GLU 40 OK 100 100 - 100 Peak 1250 from cnoeabs.peaks (2.04, 1.90, 28.28 ppm; 3.10 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 40 + HB2 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 44 - HB2 GLU 40 far 10 96 10 - 4.2-8.1 HB3 GLN 27 - HB2 GLU 40 far 0 71 0 - 5.7-28.0 HB2 GLN 134 - HB2 GLU 40 far 0 92 0 - 7.8-12.9 HG3 PRO 81 - HB2 GLU 40 far 0 90 0 - 9.1-16.6 Violated in 0 structures by 0.00 A. Peak 1251 from cnoeabs.peaks (2.31, 1.90, 28.28 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 44 - HB2 GLU 40 far 11 76 15 - 3.6-9.0 HB3 GLN 134 - HB2 GLU 40 far 0 92 0 - 6.4-11.6 Violated in 0 structures by 0.00 A. Peak 1252 from cnoeabs.peaks (2.39, 1.90, 28.28 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1253 from cnoeabs.peaks (7.89, 1.90, 28.28 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 41 + HB2 GLU 40 OK 100 100 100 100 2.4-3.9 6470=100, 6463/6459=64...(25) Violated in 0 structures by 0.00 A. Peak 1254 from cnoeabs.peaks (8.28, 2.04, 28.28 ppm; 3.94 A): 2 out of 10 assignments used, quality = 1.00: * H GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.2-3.6 6460=100, 6459/1.8=82...(18) H LEU 43 + HB2 GLU 44 OK 73 84 95 92 4.3-6.0 3.9/6526=51...(14) H LEU 43 - HB3 GLU 40 far 0 99 0 - 5.4-6.4 H GLU 30 - HB2 GLU 44 far 0 69 0 - 6.2-21.2 H GLU 40 - HB2 GLU 44 far 0 87 0 - 6.4-9.3 H LEU 49 - HB2 GLU 44 far 0 61 0 - 6.9-9.1 H ALA 21 - HB3 GLU 40 far 0 65 0 - 7.7-36.6 H LEU 96 - HG2 ARG 90 far 0 77 0 - 9.0-11.1 H LEU 69 - HB2 GLU 44 far 0 69 0 - 9.3-12.0 H ALA 21 - HB2 GLU 44 far 0 50 0 - 9.8-32.1 Violated in 0 structures by 0.00 A. Peak 1255 from cnoeabs.peaks (3.84, 2.04, 28.28 ppm; 3.90 A): 2 out of 9 assignments used, quality = 1.00: * HA GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 40 + HB2 GLU 44 OK 32 87 45 83 4.5-8.1 6514/6526=44...(8) HD2 PRO 81 - HG2 ARG 90 far 0 74 0 - 7.0-12.3 HB2 SER 130 - HB2 GLU 44 far 0 65 0 - 8.0-9.1 HB3 SER 33 - HB3 GLU 40 far 0 97 0 - 8.4-18.7 HB3 SER 33 - HB2 GLU 44 far 0 81 0 - 9.3-16.6 HD2 PRO 81 - HB3 GLU 40 far 0 97 0 - 9.6-15.3 HB2 SER 130 - HB3 GLU 40 far 0 83 0 - 10.0-12.9 HB2 SER 50 - HB2 GLU 44 far 0 86 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 1256 from cnoeabs.peaks (1.90, 2.04, 28.28 ppm; 2.96 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 40 + HB3 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 + HG2 ARG 90 OK 69 69 100 100 2.2-3.0 2.9=100 HB2 GLU 40 - HB2 GLU 44 far 9 87 10 - 4.2-8.1 HB3 LYS 36 - HB3 GLU 40 far 0 92 0 - 4.5-14.7 HB3 LYS 36 - HB2 GLU 44 far 0 75 0 - 4.9-12.9 HB3 LEU 48 - HB2 GLU 44 far 0 85 0 - 6.1-9.2 HB3 ARG 84 - HG2 ARG 90 far 0 78 0 - 9.7-12.3 HB3 LEU 49 - HB2 GLU 44 far 0 71 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1257 from cnoeabs.peaks (2.04, 2.04, 28.28 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 40 + HB3 GLU 40 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 79 79 - 100 HG2 ARG 90 + HG2 ARG 90 OK 70 70 - 100 Peak 1258 from cnoeabs.peaks (2.31, 2.04, 28.28 ppm; 3.58 A): 2 out of 12 assignments used, quality = 1.00: * HG2 GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 44 + HB2 GLU 44 OK 59 59 100 100 2.2-3.0 3.0=100 HG2 GLU 40 - HB2 GLU 44 far 13 87 15 - 4.3-8.6 HG2 GLU 44 - HB3 GLU 40 far 4 76 5 - 4.2-9.8 HB VAL 77 - HG2 ARG 90 far 0 59 0 - 5.2-7.1 HB3 GLN 134 - HB3 GLU 40 far 0 92 0 - 6.2-11.5 HG3 GLN 68 - HB2 GLU 44 far 0 82 0 - 7.7-11.8 HG3 GLU 30 - HB2 GLU 44 far 0 71 0 - 7.9-23.5 HG2 GLU 30 - HG2 ARG 90 far 0 45 0 - 8.3-32.3 HB3 GLN 134 - HB2 GLU 44 far 0 75 0 - 8.6-10.9 HG3 GLU 30 - HG2 ARG 90 far 0 64 0 - 8.6-30.7 HG2 GLU 30 - HB2 GLU 44 far 0 50 0 - 9.0-24.3 Violated in 0 structures by 0.00 A. Peak 1259 from cnoeabs.peaks (2.39, 2.04, 28.28 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 40 - HB2 GLU 44 far 13 87 15 - 4.7-7.7 HG2 GLU 128 - HG2 ARG 90 far 0 57 0 - 8.8-15.1 HG3 GLU 97 - HG2 ARG 90 far 0 45 0 - 8.8-13.8 HG3 GLU 128 - HG2 ARG 90 far 0 43 0 - 9.2-14.9 Violated in 0 structures by 0.00 A. Peak 1260 from cnoeabs.peaks (7.89, 2.04, 28.28 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 41 + HB3 GLU 40 OK 100 100 100 100 2.3-4.1 6470/1.8=77, 4.6=69...(24) H ALA 41 + HB2 GLU 44 OK 82 87 95 100 4.4-6.8 2.9/1401=56, 6471=48...(24) Violated in 0 structures by 0.00 A. Peak 1261 from cnoeabs.peaks (8.28, 2.31, 35.29 ppm; 4.32 A): 2 out of 8 assignments used, quality = 1.00: * H GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.1-4.4 1268/1.8=83, 2.8/1262=77...(13) H GLU 30 + HG3 GLU 30 OK 52 52 100 100 2.0-3.3 6320/1.8=73, 6318/3.0=70...(14) H LEU 43 - HG2 GLU 40 poor 19 99 25 78 4.7-7.2 6495/1262=28...(10) H ALA 21 - HG2 GLU 40 far 0 65 0 - 6.2-34.2 H ALA 21 - HG3 GLU 30 far 0 37 0 - 6.4-19.0 H LEU 69 - HG3 GLU 30 far 0 52 0 - 7.1-15.1 H LEU 49 - HG3 GLU 30 far 0 46 0 - 7.8-21.3 H GLY 111 - HG3 GLU 30 far 0 46 0 - 9.7-31.4 Violated in 0 structures by 0.00 A. Peak 1262 from cnoeabs.peaks (3.84, 2.31, 35.29 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.6-4.0 3.9=100 HD3 PRO 58 - HG3 GLU 30 far 0 46 0 - 5.7-28.6 HA LEU 62 - HG3 GLU 30 far 0 67 0 - 7.4-21.0 HB3 SER 33 - HG3 GLU 30 far 0 63 0 - 8.2-12.0 HB3 SER 33 - HG2 GLU 40 far 0 97 0 - 9.1-18.6 HD2 PRO 81 - HG2 GLU 40 far 0 97 0 - 9.2-15.1 Violated in 6 structures by 0.01 A. Peak 1263 from cnoeabs.peaks (1.90, 2.31, 35.29 ppm; 3.58 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 36 - HG2 GLU 40 far 5 92 5 - 4.8-15.6 HB3 LEU 48 - HG3 GLU 30 far 0 67 0 - 6.5-22.4 HB3 LEU 49 - HG3 GLU 30 far 0 54 0 - 6.6-20.6 HB2 MET 11 - HG3 GLU 30 far 0 42 0 - 6.7-32.8 HB2 ARG 90 - HG3 GLU 30 far 0 58 0 - 7.7-29.2 HB3 LYS 36 - HG3 GLU 30 far 0 57 0 - 7.9-17.0 Violated in 0 structures by 0.00 A. Peak 1264 from cnoeabs.peaks (2.04, 2.31, 35.29 ppm; 3.65 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 30 + HG3 GLU 30 OK 55 55 100 100 2.8-3.0 3.0=100 HB2 GLU 44 - HG2 GLU 40 poor 19 96 20 - 4.3-8.6 HB3 GLN 27 - HG3 GLU 30 far 6 41 15 - 3.7-8.9 HG2 PRO 58 - HG3 GLU 30 far 3 64 5 - 4.4-28.2 HB3 GLN 27 - HG2 GLU 40 far 0 71 0 - 5.5-26.4 QE MET 11 - HG3 GLU 30 far 0 67 0 - 5.9-26.3 HB3 MET 11 - HG3 GLU 30 far 0 59 0 - 6.3-31.1 HB2 GLN 134 - HG2 GLU 40 far 0 92 0 - 6.5-14.5 HG3 PRO 81 - HG2 GLU 40 far 0 90 0 - 6.9-15.5 HB2 GLU 44 - HG3 GLU 30 far 0 61 0 - 7.9-23.5 HG2 ARG 90 - HG3 GLU 30 far 0 59 0 - 8.6-30.7 HB2 LEU 62 - HG3 GLU 30 far 0 48 0 - 9.2-21.7 HB VAL 63 - HG3 GLU 30 far 0 58 0 - 9.3-20.0 Violated in 0 structures by 0.00 A. Peak 1265 from cnoeabs.peaks (2.31, 2.31, 35.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 40 + HG2 GLU 40 OK 100 100 - 100 HG3 GLU 30 + HG3 GLU 30 OK 54 54 - 100 Peak 1266 from cnoeabs.peaks (2.39, 2.31, 35.29 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 40 + HG2 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 61 - HG3 GLU 30 far 0 49 0 - 6.1-24.2 HB3 PRO 58 - HG3 GLU 30 far 0 52 0 - 6.7-28.1 HG2 GLN 104 - HG3 GLU 30 far 0 58 0 - 6.7-23.1 HG3 GLU 97 - HG3 GLU 30 far 0 37 0 - 8.2-24.3 HG2 GLN 101 - HG3 GLU 30 far 0 32 0 - 9.9-25.2 Violated in 0 structures by 0.00 A. Peak 1267 from cnoeabs.peaks (7.89, 2.31, 35.29 ppm; 5.53 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 41 + HG2 GLU 40 OK 100 100 100 100 1.9-4.9 6470/3.0=92, 1274/1.8=91...(23) H SER 106 - HG3 GLU 30 far 3 65 5 - 5.2-26.6 H GLN 68 - HG3 GLU 30 far 2 37 5 - 6.7-15.7 H GLN 104 - HG3 GLU 30 far 0 67 0 - 8.0-23.3 Violated in 0 structures by 0.00 A. Peak 1268 from cnoeabs.peaks (8.28, 2.39, 35.29 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 40 + HG3 GLU 40 OK 100 100 100 100 1.9-4.5 6462=74, 2.8/1269=72...(12) H LEU 43 - HG3 GLU 40 far 5 99 5 - 5.1-6.7 H ALA 21 - HG3 GLU 40 far 0 65 0 - 5.6-34.7 Violated in 2 structures by 0.03 A. Peak 1269 from cnoeabs.peaks (3.84, 2.39, 35.29 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.6-3.8 3.9=95, 1262/1.8=78...(15) HD2 PRO 81 - HG3 GLU 40 far 0 97 0 - 9.1-14.4 HB3 SER 33 - HG3 GLU 40 far 0 97 0 - 9.8-18.0 Violated in 0 structures by 0.00 A. Peak 1270 from cnoeabs.peaks (1.90, 2.39, 35.29 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 36 - HG3 GLU 40 far 0 92 0 - 5.8-14.7 Violated in 0 structures by 0.00 A. Peak 1271 from cnoeabs.peaks (2.04, 2.39, 35.29 ppm; 3.47 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 44 - HG3 GLU 40 far 5 96 5 - 4.7-7.7 HB3 GLN 27 - HG3 GLU 40 far 0 71 0 - 6.9-26.6 HG3 PRO 81 - HG3 GLU 40 far 0 90 0 - 7.6-15.0 HB2 GLN 134 - HG3 GLU 40 far 0 92 0 - 7.7-13.9 Violated in 0 structures by 0.00 A. Peak 1272 from cnoeabs.peaks (2.31, 2.39, 35.29 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 40 + HG3 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 - HG3 GLU 40 far 0 76 0 - 4.4-10.6 HB3 GLN 134 - HG3 GLU 40 far 0 92 0 - 6.8-12.5 HG3 GLN 68 - HG3 GLU 40 far 0 98 0 - 9.5-18.1 Violated in 0 structures by 0.00 A. Peak 1273 from cnoeabs.peaks (2.39, 2.39, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + HG3 GLU 40 OK 100 100 - 100 Peak 1274 from cnoeabs.peaks (7.89, 2.39, 35.29 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 41 + HG3 GLU 40 OK 100 100 100 100 1.9-4.2 6473=88, 6470/3.0=84...(25) Violated in 0 structures by 0.00 A. Peak 1275 from cnoeabs.peaks (7.89, 3.91, 54.68 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 41 + HA ALA 41 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1276 from cnoeabs.peaks (3.91, 3.91, 54.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 41 + HA ALA 41 OK 100 100 - 100 Peak 1277 from cnoeabs.peaks (1.17, 3.91, 54.68 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 41 + HA ALA 41 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 25 - HA ALA 41 far 9 89 10 - 2.6-23.6 HG12 ILE 32 - HA ALA 41 far 5 99 5 - 3.8-16.9 HG3 LYS 39 - HA ALA 41 far 0 93 0 - 6.6-7.1 QG2 THR 18 - HA ALA 41 far 0 100 0 - 9.1-31.5 Violated in 0 structures by 0.00 A. Peak 1278 from cnoeabs.peaks (7.49, 3.91, 54.68 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + HA ALA 41 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1279 from cnoeabs.peaks (8.33, 3.91, 54.68 ppm; 4.84 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 44 + HA ALA 41 OK 100 100 100 100 3.1-3.7 6515=100, 6527/1409=80...(13) H ALA 28 - HA ALA 41 far 5 99 5 - 5.9-21.9 H GLY 17 - HA ALA 41 far 0 95 0 - 6.4-33.7 H ALA 21 - HA ALA 41 far 0 71 0 - 9.1-31.8 H TYR 72 - HA ALA 41 far 0 97 0 - 9.3-11.3 H LYS 19 - HA ALA 41 far 0 90 0 - 9.4-34.4 Violated in 0 structures by 0.00 A. Peak 1280 from cnoeabs.peaks (2.02, 3.91, 54.68 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 44 + HA ALA 41 OK 100 100 100 100 2.2-4.1 1401=100, 1.8/1409=84...(18) HB3 GLU 40 + HA ALA 41 OK 24 96 25 100 4.0-5.6 ~6470=40, ~1253=37...(24) HB VAL 20 - HA ALA 41 far 0 78 0 - 8.0-29.9 Violated in 0 structures by 0.00 A. Peak 1281 from cnoeabs.peaks (2.08, 3.91, 54.68 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 44 + HA ALA 41 OK 100 100 100 100 2.6-4.2 1409=100, 1.8/1401=85...(22) HB3 GLN 27 - HA ALA 41 far 4 89 5 - 2.0-24.0 HB3 LYS 39 - HA ALA 41 far 0 100 0 - 7.7-8.4 HG3 GLN 134 - HA ALA 41 far 0 100 0 - 8.9-13.5 HB VAL 126 - HA ALA 41 far 0 65 0 - 10.0-15.7 Violated in 1 structures by 0.00 A. Peak 1282 from cnoeabs.peaks (7.89, 1.17, 17.90 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 41 + QB ALA 41 OK 100 100 100 100 2.0-2.2 3.0=100 H GLN 68 - QB ALA 41 far 0 65 0 - 8.1-11.7 Violated in 0 structures by 0.00 A. Peak 1283 from cnoeabs.peaks (3.91, 1.17, 17.90 ppm; 3.10 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 41 + QB ALA 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 SER 33 - QB ALA 41 far 0 100 0 - 5.9-10.6 HA ALA 46 - QB ALA 41 far 0 93 0 - 7.5-8.8 HA LEU 70 - QB ALA 41 far 0 63 0 - 8.8-11.2 HA2 GLY 2 - QB ALA 41 far 0 90 0 - 9.4-52.9 Violated in 0 structures by 0.00 A. Peak 1284 from cnoeabs.peaks (1.17, 1.17, 17.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 41 + QB ALA 41 OK 100 100 - 100 Peak 1285 from cnoeabs.peaks (7.49, 1.17, 17.90 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 42 + QB ALA 41 OK 98 100 100 98 2.3-2.9 3.7=89, 2.8/9066=35...(10) H GLN 134 - QB ALA 41 far 0 100 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 1286 from cnoeabs.peaks (7.49, 3.48, 59.85 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 100 100 2.7-2.8 2.8=100 HE22 GLN 127 - HA LEU 42 far 0 98 0 - 7.9-13.5 H GLN 134 - HA LEU 42 far 0 100 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 1287 from cnoeabs.peaks (3.48, 3.48, 59.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HA LEU 42 OK 100 100 - 100 Peak 1288 from cnoeabs.peaks (1.38, 3.48, 59.85 ppm; 4.43 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 42 + HA LEU 42 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 36 - HA LEU 42 poor 12 100 25 46 4.5-11.0 10820/10826=32...(4) QB ALA 29 - HA LEU 42 far 0 100 0 - 6.1-13.6 QB ALA 16 - HA LEU 42 far 0 68 0 - 7.7-26.3 HG3 LYS 26 - HA LEU 42 far 0 100 0 - 8.3-23.9 QB ALA 28 - HA LEU 42 far 0 100 0 - 8.9-16.3 QB ALA 15 - HA LEU 42 far 0 100 0 - 9.2-28.6 HB2 LEU 96 - HA LEU 42 far 0 100 0 - 9.7-12.3 HG3 LYS 31 - HA LEU 42 far 0 96 0 - 9.9-18.6 Violated in 0 structures by 0.00 A. Peak 1289 from cnoeabs.peaks (1.54, 3.48, 59.85 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 100 100 2.2-3.0 3.0=100 HG13 ILE 37 + HA LEU 42 OK 26 89 30 96 4.7-9.8 3.2/10826=67...(13) HG LEU 49 - HA LEU 42 far 0 63 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 1290 from cnoeabs.peaks (1.49, 3.48, 59.85 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 42 + HA LEU 42 OK 100 100 100 100 2.1-3.7 3.7=100 HG LEU 69 + HA LEU 42 OK 27 63 50 87 4.3-7.5 2.1/9072=64...(15) HG3 LYS 36 - HA LEU 42 poor 17 83 20 - 4.7-11.6 HB2 LEU 49 - HA LEU 42 far 0 97 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 1291 from cnoeabs.peaks (0.63, 3.48, 59.85 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HA LEU 42 OK 100 100 100 100 2.4-3.8 4.1=100 QD1 ILE 129 - HA LEU 42 far 0 99 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 1292 from cnoeabs.peaks (0.56, 3.48, 59.85 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HA LEU 42 OK 100 100 100 100 3.0-4.1 3.9=100 Violated in 0 structures by 0.00 A. Peak 1293 from cnoeabs.peaks (8.29, 3.48, 59.85 ppm; 5.00 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 43 + HA LEU 42 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 69 - HA LEU 42 far 5 97 5 - 6.0-8.4 H GLU 40 - HA LEU 42 far 0 99 0 - 6.7-7.4 H LEU 49 - HA LEU 42 far 0 92 0 - 8.2-9.4 H ASP 131 - HA LEU 42 far 0 89 0 - 8.3-10.6 H VAL 126 - HA LEU 42 far 0 100 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 1294 from cnoeabs.peaks (7.69, 3.48, 59.85 ppm; 6.27 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + HA LEU 42 OK 100 100 100 100 3.3-4.4 6535/3.6=92, 3.5/1295=89...(10) Violated in 0 structures by 0.00 A. Peak 1295 from cnoeabs.peaks (2.94, 3.48, 59.85 ppm; 4.92 A): 2 out of 12 assignments used, quality = 1.00: * HB2 CYS 45 + HA LEU 42 OK 100 100 100 100 2.4-4.8 1439=92, 1.8/1445=80...(11) HG CYS 73 + HA LEU 42 OK 54 99 70 78 4.8-8.3 11071/9072=38...(6) HE3 LYS 36 - HA LEU 42 poor 17 85 20 - 2.5-11.5 HE2 LYS 36 - HA LEU 42 far 9 92 10 - 3.6-10.5 HE2 LYS 26 - HA LEU 42 far 0 71 0 - 7.4-26.2 HE2 LYS 31 - HA LEU 42 far 0 78 0 - 8.0-17.8 HE3 LYS 26 - HA LEU 42 far 0 71 0 - 8.0-26.3 HE2 LYS 39 - HA LEU 42 far 0 97 0 - 8.7-10.1 HE3 LYS 39 - HA LEU 42 far 0 92 0 - 9.1-11.4 HE2 LYS 24 - HA LEU 42 far 0 95 0 - 9.2-27.3 HE3 LYS 31 - HA LEU 42 far 0 71 0 - 9.5-19.1 HE3 LYS 24 - HA LEU 42 far 0 85 0 - 9.8-28.2 Violated in 0 structures by 0.00 A. Peak 1296 from cnoeabs.peaks (3.13, 3.48, 59.85 ppm; 5.97 A): 2 out of 4 assignments used, quality = 1.00: * HB3 CYS 45 + HA LEU 42 OK 100 100 100 100 3.2-5.1 1445=100, 1.8/1295=99...(8) HB3 TYR 76 + HA LEU 42 OK 89 100 90 99 5.8-9.0 9635/1324=80...(8) HB3 HIS 7 - HA LEU 42 far 0 78 0 - 9.6-51.5 HB2 HIS 7 - HA LEU 42 far 0 85 0 - 9.9-50.7 Violated in 0 structures by 0.00 A. Peak 1298 from cnoeabs.peaks (7.49, 1.38, 42.33 ppm; 5.48 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.0-3.1 4.0=100 H GLN 134 + HB2 LEU 42 OK 20 100 25 81 5.7-9.6 1331/3.1=40...(7) HE22 GLN 127 - HB2 LEU 42 far 0 98 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 1299 from cnoeabs.peaks (3.48, 1.38, 42.33 ppm; 5.86 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.4-3.0 3.0=100 HA VAL 77 - HB2 LEU 42 far 0 63 0 - 7.8-10.9 HA ILE 129 - HB2 LEU 42 far 0 93 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 1300 from cnoeabs.peaks (1.38, 1.38, 42.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 Peak 1301 from cnoeabs.peaks (1.54, 1.38, 42.33 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HB2 LEU 42 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 37 + HB2 LEU 42 OK 21 89 25 97 3.3-10.0 ~10821=38, ~10826=37...(15) HG LEU 49 - HB2 LEU 42 far 0 63 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 1302 from cnoeabs.peaks (1.49, 1.38, 42.33 ppm; 4.70 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 69 - HB2 LEU 42 far 3 63 5 - 5.6-9.1 HG3 LYS 36 - HB2 LEU 42 far 0 83 0 - 6.5-12.2 Violated in 0 structures by 0.00 A. Peak 1303 from cnoeabs.peaks (0.63, 1.38, 42.33 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 ILE 129 - HB2 LEU 42 far 0 99 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 1304 from cnoeabs.peaks (0.56, 1.38, 42.33 ppm; 5.86 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.0-3.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 1305 from cnoeabs.peaks (8.29, 1.38, 42.33 ppm; 5.91 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 43 + HB2 LEU 42 OK 100 100 100 100 2.4-4.0 4.6=100 H GLU 40 + HB2 LEU 42 OK 96 99 100 97 4.6-6.5 3.6/1147=79...(8) H ASP 131 - HB2 LEU 42 far 4 89 5 - 6.5-10.6 H LEU 69 - HB2 LEU 42 far 0 97 0 - 7.6-10.7 H ALA 21 - HB2 LEU 42 far 0 83 0 - 9.6-31.2 Violated in 0 structures by 0.00 A. Peak 1307 from cnoeabs.peaks (7.49, 1.54, 42.33 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.1-3.6 4.0=100 H GLN 134 + HB3 LEU 42 OK 26 100 35 75 5.3-10.1 1331/3.1=38, 4250/381=25...(7) HE22 GLN 127 - HB3 LEU 42 far 0 98 0 - 8.2-14.9 Violated in 0 structures by 0.00 A. Peak 1308 from cnoeabs.peaks (3.48, 1.54, 42.33 ppm; 5.77 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.2-3.0 3.0=100 HA ILE 129 - HB3 LEU 42 far 9 93 10 - 7.1-10.4 HA VAL 77 - HB3 LEU 42 far 0 63 0 - 7.9-11.1 Violated in 0 structures by 0.00 A. Peak 1309 from cnoeabs.peaks (1.38, 1.54, 42.33 ppm; 4.68 A): 1 out of 18 assignments used, quality = 1.00: * HB2 LEU 42 + HB3 LEU 42 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 24 - HB2 LEU 22 poor 20 98 40 50 2.2-7.7 10714/3.1=14, 832/6197=9...(14) HG2 LYS 19 - HB2 LEU 22 poor 7 90 25 32 5.0-13.8 10703/3.1=10, ~10720=7...(7) HG2 LYS 36 - HB3 LEU 42 far 5 100 5 - 5.1-12.0 QB ALA 15 - HB2 LEU 22 far 5 98 5 - 4.7-14.5 HG3 LYS 26 - HB2 LEU 22 far 5 98 5 - 6.1-12.8 QB ALA 110 - HB2 LEU 22 far 5 98 5 - 6.2-38.2 QB ALA 108 - HB2 LEU 22 far 5 97 5 - 5.2-34.4 QB ALA 109 - HB2 LEU 22 far 5 94 5 - 4.9-35.7 QB ALA 28 - HB2 LEU 22 lone 0 98 30 1 4.4-15.7 QB ALA 12 - HB2 LEU 22 far 0 81 0 - 6.3-14.5 QB ALA 16 - HB2 LEU 22 far 0 65 0 - 7.3-15.0 HG3 LYS 31 - HB2 LEU 22 far 0 92 0 - 7.8-19.0 QB ALA 29 - HB3 LEU 42 far 0 100 0 - 8.1-15.3 QB ALA 29 - HB2 LEU 22 far 0 98 0 - 8.3-15.5 QB ALA 16 - HB3 LEU 42 far 0 68 0 - 8.4-27.2 HG2 LYS 36 - HB2 LEU 22 far 0 98 0 - 9.0-30.1 HB2 LEU 96 - HB3 LEU 42 far 0 100 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1310 from cnoeabs.peaks (1.54, 1.54, 42.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 42 + HB3 LEU 42 OK 100 100 - 100 HB2 LEU 22 + HB2 LEU 22 OK 98 98 - 100 Peak 1311 from cnoeabs.peaks (1.49, 1.54, 42.33 ppm; 4.35 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.6-3.0 3.0=100 HG LEU 69 - HB3 LEU 42 far 9 63 15 - 4.2-9.4 HG3 LYS 36 - HB3 LEU 42 far 0 83 0 - 5.9-12.8 HG3 LYS 36 - HB2 LEU 22 far 0 79 0 - 7.8-30.5 QB ALA 52 - HB2 LEU 22 far 0 97 0 - 9.1-24.9 HB2 LEU 49 - HB3 LEU 42 far 0 97 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 1312 from cnoeabs.peaks (0.63, 1.54, 42.33 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB3 LEU 42 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 ILE 129 - HB3 LEU 42 far 10 99 10 - 6.5-9.5 Violated in 0 structures by 0.00 A. Peak 1313 from cnoeabs.peaks (0.56, 1.54, 42.33 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HB3 LEU 42 OK 100 100 100 100 1.9-3.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 1314 from cnoeabs.peaks (8.29, 1.54, 42.33 ppm; 6.80 A): 4 out of 10 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 42 OK 100 100 100 100 2.2-4.1 4.6=100 H GLU 40 + HB3 LEU 42 OK 98 99 100 99 5.0-7.3 3.6/1148=94, 1305/1.8=48...(6) H ALA 21 + HB2 LEU 22 OK 79 79 100 100 4.9-6.5 4.6/6188=97, ~11967=38...(13) H LEU 69 + HB3 LEU 42 OK 28 97 30 98 5.8-10.2 ~9100=75, ~9102=40...(12) H ASP 131 - HB3 LEU 42 poor 16 89 40 44 6.0-10.5 1338/3.1=30...(4) H ALA 110 - HB2 LEU 22 far 5 91 5 - 6.6-44.6 H GLY 111 - HB2 LEU 22 far 4 88 5 - 8.2-42.4 H GLU 30 - HB2 LEU 22 far 0 67 0 - 8.3-17.6 H LEU 49 - HB3 LEU 42 far 0 92 0 - 9.7-11.8 H VAL 126 - HB3 LEU 42 far 0 100 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 1315 from cnoeabs.peaks (7.49, 1.49, 28.46 ppm; 5.61 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + HG LEU 42 OK 100 100 100 100 2.8-4.5 4.6=100 H GLN 134 + HG LEU 42 OK 24 100 25 97 6.2-9.3 7946/10568=74...(8) HE22 GLN 127 - HG LEU 42 far 0 98 0 - 7.3-13.5 Violated in 0 structures by 0.00 A. Peak 1316 from cnoeabs.peaks (3.48, 1.49, 28.46 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-3.7 3.7=100 HA ILE 129 - HG LEU 42 far 0 93 0 - 7.3-9.8 HA VAL 77 - HG LEU 42 far 0 63 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 1317 from cnoeabs.peaks (1.38, 1.49, 28.46 ppm; 6.80 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 29 - HG LEU 42 far 15 100 15 - 7.3-15.0 HG2 LYS 36 - HG LEU 42 poor 14 100 40 34 4.4-13.5 11124/10868=25, 1288/3.7=10 HB2 LEU 96 - HG LEU 42 far 5 100 5 - 7.9-12.6 HG LEU 96 - HG LEU 42 far 0 85 0 - 8.6-12.8 QB ALA 16 - HG LEU 42 far 0 68 0 - 9.9-29.2 Violated in 0 structures by 0.00 A. Peak 1318 from cnoeabs.peaks (1.54, 1.49, 28.46 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HG LEU 42 OK 100 100 100 100 2.6-3.0 3.0=100 HG13 ILE 37 - HG LEU 42 far 4 89 5 - 4.6-10.4 HG LEU 49 - HG LEU 42 far 0 63 0 - 7.6-10.4 Violated in 0 structures by 0.00 A. Peak 1319 from cnoeabs.peaks (1.49, 1.49, 28.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 42 + HG LEU 42 OK 100 100 - 100 Peak 1320 from cnoeabs.peaks (0.63, 1.49, 28.46 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 129 - HG LEU 42 far 5 99 5 - 5.2-9.1 Violated in 0 structures by 0.00 A. Peak 1321 from cnoeabs.peaks (0.56, 1.49, 28.46 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1323 from cnoeabs.peaks (7.49, 0.63, 27.44 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.8-4.3 6489=98, 6488/2.1=74...(13) H GLN 134 - QD1 LEU 42 far 5 100 5 - 5.1-8.2 HE22 GLN 127 - QD1 LEU 42 far 0 98 0 - 6.6-13.1 Violated in 0 structures by 0.00 A. Peak 1324 from cnoeabs.peaks (3.48, 0.63, 27.44 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.4-3.8 4.1=100 HA VAL 77 + QD1 LEU 42 OK 25 63 60 65 4.8-7.4 9666/11890=24...(12) HA ILE 129 - QD1 LEU 42 poor 19 93 20 - 5.7-8.1 Violated in 0 structures by 0.00 A. Peak 1325 from cnoeabs.peaks (1.38, 0.63, 27.44 ppm; 4.00 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.9-3.2 3.2=100 HG2 LYS 36 - QD1 LEU 42 poor 20 100 20 - 4.4-12.2 QB ALA 29 - QD1 LEU 42 far 0 100 0 - 6.5-12.7 QB ALA 12 - QD1 LEU 42 far 0 85 0 - 6.9-25.9 HG LEU 96 - QD1 LEU 42 far 0 85 0 - 7.3-11.0 HB2 LEU 96 - QD1 LEU 42 far 0 100 0 - 7.4-10.9 QB ALA 16 - QD1 LEU 42 far 0 68 0 - 7.7-23.8 HG3 LYS 26 - QD1 LEU 42 far 0 100 0 - 9.4-22.5 HG3 LYS 31 - QD1 LEU 42 far 0 96 0 - 9.5-18.2 QB ALA 15 - QD1 LEU 42 far 0 100 0 - 9.8-26.4 HB3 LEU 100 - QD1 LEU 42 far 0 100 0 - 9.9-13.7 QB ALA 28 - QD1 LEU 42 far 0 100 0 - 10.0-15.7 Violated in 0 structures by 0.00 A. Peak 1326 from cnoeabs.peaks (1.54, 0.63, 27.44 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.9-3.2 3.2=100 HG13 ILE 37 - QD1 LEU 42 poor 19 89 25 86 3.3-7.9 3.2/10821=57...(13) HG LEU 49 - QD1 LEU 42 far 0 63 0 - 6.6-9.8 Violated in 0 structures by 0.00 A. Peak 1327 from cnoeabs.peaks (1.49, 0.63, 27.44 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 69 + QD1 LEU 42 OK 28 63 45 99 2.5-8.2 ~11039=40, ~11066=39...(32) HG3 LYS 36 - QD1 LEU 42 far 12 83 15 - 4.5-12.2 HG3 LYS 86 - QD1 LEU 42 far 0 96 0 - 7.2-10.8 HB2 LEU 49 - QD1 LEU 42 far 0 97 0 - 7.9-11.4 Violated in 0 structures by 0.00 A. Peak 1328 from cnoeabs.peaks (0.63, 0.63, 27.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + QD1 LEU 42 OK 100 100 - 100 Peak 1329 from cnoeabs.peaks (0.56, 0.63, 27.44 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1330 from cnoeabs.peaks (8.29, 0.63, 27.44 ppm; 4.91 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 42 OK 100 100 100 100 2.5-5.0 6503=100, 6504/2.1=89...(24) H GLU 40 + QD1 LEU 42 OK 42 99 60 71 4.2-7.7 6491/1323=27...(8) H LEU 69 + QD1 LEU 42 OK 37 97 40 96 5.3-8.8 ~9100=53, 2.9/9102=44...(14) H ASP 131 - QD1 LEU 42 far 13 89 15 - 5.5-8.8 H VAL 126 - QD1 LEU 42 far 0 100 0 - 6.9-11.1 H LEU 49 - QD1 LEU 42 far 0 92 0 - 7.7-10.8 H ALA 21 - QD1 LEU 42 far 0 83 0 - 8.8-25.4 H LEU 96 - QD1 LEU 42 far 0 95 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 1331 from cnoeabs.peaks (7.49, 0.56, 24.08 ppm; 4.49 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.3-4.5 6490=94, 1323/2.1=77...(12) H GLN 134 + QD2 LEU 42 OK 85 100 85 100 4.4-6.4 7946/10587=68...(18) HE22 GLN 127 - QD2 LEU 42 far 0 98 0 - 6.0-11.7 Violated in 0 structures by 0.00 A. Peak 1332 from cnoeabs.peaks (3.48, 0.56, 24.08 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.0-4.1 3.9=100 HA ILE 129 + QD2 LEU 42 OK 51 93 55 100 4.5-7.6 3.2/10486=73...(27) HA VAL 77 - QD2 LEU 42 poor 12 63 35 54 4.8-7.9 9666/11891=18...(11) Violated in 0 structures by 0.00 A. Peak 1333 from cnoeabs.peaks (1.38, 0.56, 24.08 ppm; 3.68 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.0-3.1 3.1=100 HG2 LYS 36 - QD2 LEU 42 far 0 100 0 - 5.5-11.1 HB2 LEU 96 - QD2 LEU 42 far 0 100 0 - 6.8-10.9 HG LEU 96 - QD2 LEU 42 far 0 85 0 - 6.9-10.4 QB ALA 29 - QD2 LEU 42 far 0 100 0 - 7.2-14.0 QB ALA 12 - QD2 LEU 42 far 0 85 0 - 8.9-27.3 QB ALA 16 - QD2 LEU 42 far 0 68 0 - 8.9-24.8 HG3 LYS 95 - QD2 LEU 42 far 0 99 0 - 9.6-16.3 HG2 LYS 95 - QD2 LEU 42 far 0 98 0 - 9.6-16.2 QB ALA 15 - QD2 LEU 42 far 0 100 0 - 9.7-26.6 Violated in 0 structures by 0.00 A. Peak 1334 from cnoeabs.peaks (1.54, 0.56, 24.08 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-3.1 3.1=100 HG13 ILE 37 - QD2 LEU 42 far 0 89 0 - 5.5-9.4 HG LEU 49 - QD2 LEU 42 far 0 63 0 - 6.5-9.7 Violated in 0 structures by 0.00 A. Peak 1335 from cnoeabs.peaks (1.49, 0.56, 24.08 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 69 + QD2 LEU 42 OK 28 63 45 99 3.7-7.7 2.1/11039=63...(31) HG3 LYS 36 - QD2 LEU 42 far 0 83 0 - 5.8-11.9 HG3 LYS 86 - QD2 LEU 42 far 0 96 0 - 7.1-10.0 HB2 LEU 49 - QD2 LEU 42 far 0 97 0 - 7.8-11.2 Violated in 0 structures by 0.00 A. Peak 1336 from cnoeabs.peaks (0.63, 0.56, 24.08 ppm; 2.88 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 129 + QD2 LEU 42 OK 23 99 25 93 3.7-6.9 4163/10486=42...(22) Violated in 0 structures by 0.00 A. Peak 1337 from cnoeabs.peaks (0.56, 0.56, 24.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 Peak 1338 from cnoeabs.peaks (8.29, 0.56, 24.08 ppm; 4.09 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 42 OK 100 100 100 100 2.1-4.6 6504=89, 6503/2.1=59...(26) H ASP 131 + QD2 LEU 42 OK 44 89 55 90 4.6-7.6 7925/11894=29...(16) H GLU 40 - QD2 LEU 42 poor 20 99 20 - 4.6-7.3 H LEU 69 - QD2 LEU 42 far 0 97 0 - 6.6-8.9 H VAL 126 - QD2 LEU 42 far 0 100 0 - 7.0-10.7 H LEU 49 - QD2 LEU 42 far 0 92 0 - 7.3-10.4 H LEU 96 - QD2 LEU 42 far 0 95 0 - 8.2-12.4 Violated in 4 structures by 0.02 A. Peak 1339 from cnoeabs.peaks (8.29, 3.78, 57.62 ppm; 4.83 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-2.9 2.8=100 H ASP 131 + HA LEU 43 OK 59 89 85 78 5.3-6.8 1383/1345=27...(14) H GLU 40 - HA LEU 43 far 0 99 0 - 7.2-8.2 H LEU 49 - HA LEU 43 far 0 92 0 - 7.5-8.7 H LEU 69 - HA LEU 43 far 0 97 0 - 9.1-10.7 H VAL 126 - HA LEU 43 far 0 100 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1340 from cnoeabs.peaks (3.78, 3.78, 57.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HA LEU 43 OK 100 100 - 100 Peak 1341 from cnoeabs.peaks (1.73, 3.78, 57.62 ppm; 4.83 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 26 - HA LEU 43 far 0 76 0 - 7.6-25.0 HD3 LYS 39 - HA LEU 43 far 0 93 0 - 7.9-10.4 HG13 ILE 129 - HA LEU 43 far 0 89 0 - 8.6-10.6 HG2 ARG 135 - HA LEU 43 far 0 89 0 - 9.5-11.8 HG LEU 48 - HA LEU 43 far 0 93 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 1342 from cnoeabs.peaks (1.28, 3.78, 57.62 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 100 100 2.2-3.0 3.0=100 HG12 ILE 37 - HA LEU 43 far 0 99 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 1343 from cnoeabs.peaks (1.64, 3.78, 57.62 ppm; 4.49 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 100 100 2.9-3.6 3.7=100 HD3 LYS 36 - HA LEU 43 far 0 65 0 - 7.0-16.0 HB2 LEU 69 - HA LEU 43 far 0 68 0 - 7.1-9.3 HD2 LYS 36 - HA LEU 43 far 0 65 0 - 7.1-14.7 HD3 LYS 26 - HA LEU 43 far 0 92 0 - 9.1-27.8 HD2 LYS 26 - HA LEU 43 far 0 89 0 - 9.6-27.9 HD2 LYS 31 - HA LEU 43 far 0 87 0 - 9.7-22.4 Violated in 0 structures by 0.00 A. Peak 1344 from cnoeabs.peaks (0.70, 3.78, 57.62 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 100 100 3.7-4.1 4.1=100 Violated in 0 structures by 0.00 A. Peak 1345 from cnoeabs.peaks (0.75, 3.78, 57.62 ppm; 3.76 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 43 + HA LEU 43 OK 100 100 100 100 1.8-2.6 3.9=93, 2.1/1344=66...(22) QD1 ILE 37 - HA LEU 43 far 0 73 0 - 5.9-11.0 QD1 ILE 32 - HA LEU 43 far 0 78 0 - 6.2-15.0 QD1 LEU 96 - HA LEU 43 far 0 89 0 - 8.1-11.1 QD2 LEU 96 - HA LEU 43 far 0 99 0 - 8.2-12.1 HG12 ILE 129 - HA LEU 43 far 0 100 0 - 8.7-10.4 QG1 VAL 93 - HA LEU 43 far 0 100 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 1346 from cnoeabs.peaks (8.33, 3.78, 57.62 ppm; 5.41 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA LEU 43 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 28 - HA LEU 43 far 0 99 0 - 7.6-22.7 H TYR 72 - HA LEU 43 far 0 97 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 1347 from cnoeabs.peaks (8.54, 3.78, 57.62 ppm; 5.71 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HA LEU 43 OK 100 100 100 100 3.5-4.7 3.1/1348=94, 6531/3.6=91...(13) Violated in 0 structures by 0.00 A. Peak 1348 from cnoeabs.peaks (1.34, 3.78, 57.62 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 46 + HA LEU 43 OK 100 100 100 100 2.1-3.3 9176/1345=71...(16) Violated in 0 structures by 0.00 A. Peak 1349 from cnoeabs.peaks (3.84, 1.73, 40.91 ppm; 5.05 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 40 + HB2 LEU 43 OK 100 100 100 100 3.0-6.0 9055/3.2=80, 1246/1.8=79...(26) HB2 SER 130 + HB2 LEU 43 OK 74 83 90 100 4.6-7.1 11720/3.2=63, ~10509=60...(22) HB2 SER 50 - HB2 LEU 43 far 0 100 0 - 7.7-10.9 HD2 PRO 81 - HB2 LEU 43 far 0 97 0 - 9.0-14.5 Violated in 1 structures by 0.00 A. Peak 1350 from cnoeabs.peaks (8.29, 1.73, 40.91 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.1-3.6 3.9=100 H GLU 40 + HB2 LEU 43 OK 35 99 35 100 5.0-8.2 ~1246=46, ~11897=43...(22) H ASP 131 - HB2 LEU 43 poor 19 89 25 87 5.9-8.7 1383/3.2=29, 1339/3.0=24...(12) H LEU 49 - HB2 LEU 43 far 0 92 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 1351 from cnoeabs.peaks (3.78, 1.73, 40.91 ppm; 5.38 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 130 + HB2 LEU 43 OK 100 100 100 100 3.5-6.8 11747/3.2=89...(39) HB3 SER 130 + HB2 LEU 43 OK 94 99 95 100 3.4-7.0 10509/3.2=88...(34) HA VAL 133 - HB2 LEU 43 far 5 93 5 - 6.3-10.4 Violated in 0 structures by 0.00 A. Peak 1352 from cnoeabs.peaks (1.73, 1.73, 40.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HB2 LEU 43 OK 100 100 - 100 Peak 1353 from cnoeabs.peaks (1.28, 1.73, 40.91 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 37 - HB2 LEU 43 far 0 99 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 1354 from cnoeabs.peaks (1.64, 1.73, 40.91 ppm; 4.35 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 - HB2 LEU 43 far 0 65 0 - 7.0-17.8 HD3 LYS 24 - HB2 LEU 43 far 0 89 0 - 7.6-30.2 HD2 LYS 36 - HB2 LEU 43 far 0 65 0 - 7.7-16.6 HD2 LYS 24 - HB2 LEU 43 far 0 87 0 - 8.4-31.6 HD2 LYS 31 - HB2 LEU 43 far 0 87 0 - 8.6-24.3 HB2 LEU 69 - HB2 LEU 43 far 0 68 0 - 9.0-12.1 HD3 LYS 31 - HB2 LEU 43 far 0 89 0 - 9.5-22.7 HD3 LYS 26 - HB2 LEU 43 far 0 92 0 - 9.7-30.1 HD2 LYS 26 - HB2 LEU 43 far 0 89 0 - 9.9-30.2 Violated in 0 structures by 0.00 A. Peak 1355 from cnoeabs.peaks (0.70, 1.73, 40.91 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.0-2.6 3.2=100 Violated in 0 structures by 0.00 A. Peak 1356 from cnoeabs.peaks (0.75, 1.73, 40.91 ppm; 4.23 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.1-3.2 3.2=100 QD1 ILE 32 - HB2 LEU 43 far 0 78 0 - 6.1-16.8 QD1 ILE 37 - HB2 LEU 43 far 0 73 0 - 6.2-12.3 HG12 ILE 129 - HB2 LEU 43 far 0 100 0 - 9.8-12.6 QD1 LEU 96 - HB2 LEU 43 far 0 89 0 - 9.8-13.3 QD2 LEU 96 - HB2 LEU 43 far 0 99 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 1357 from cnoeabs.peaks (8.33, 1.73, 40.91 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + HB2 LEU 43 OK 100 100 100 100 2.6-4.2 4.6=100 H ALA 28 - HB2 LEU 43 far 0 99 0 - 7.6-24.9 Violated in 0 structures by 0.00 A. Peak 1358 from cnoeabs.peaks (3.84, 1.28, 40.91 ppm; 6.11 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 40 + HB3 LEU 43 OK 100 100 100 100 3.2-4.8 1246=100, 9055/3.2=96...(24) HB2 SER 130 + HB3 LEU 43 OK 83 83 100 100 4.7-7.2 ~10509=80, ~10509=75...(19) HB2 SER 50 - HB3 LEU 43 far 0 100 0 - 7.7-12.0 HD2 PRO 81 - HB3 LEU 43 far 0 97 0 - 9.0-14.9 Violated in 0 structures by 0.00 A. Peak 1359 from cnoeabs.peaks (8.29, 1.28, 40.91 ppm; 5.18 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.3-3.6 3.9=100 H GLU 40 + HB3 LEU 43 OK 59 99 60 100 5.9-7.3 2.8/1246=71, ~11897=50...(16) H ASP 131 - HB3 LEU 43 far 9 89 10 - 5.3-9.3 H LEU 49 - HB3 LEU 43 far 0 92 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 1360 from cnoeabs.peaks (3.78, 1.28, 40.91 ppm; 5.10 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 130 + HB3 LEU 43 OK 95 100 95 100 4.1-6.7 11747/3.2=84, ~11720=45...(33) HB3 SER 130 + HB3 LEU 43 OK 89 99 90 100 3.2-7.0 10509/3.2=83, ~11720=62...(28) HA VAL 133 - HB3 LEU 43 far 0 93 0 - 7.0-10.6 HB2 SER 9 - HB3 LEU 43 far 0 76 0 - 9.9-50.5 Violated in 0 structures by 0.00 A. Peak 1361 from cnoeabs.peaks (1.73, 1.28, 40.91 ppm; 4.32 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 39 - HB3 LEU 43 far 0 93 0 - 6.8-9.6 HB2 LYS 26 - HB3 LEU 43 far 0 76 0 - 7.0-27.4 HG2 ARG 135 - HB3 LEU 43 far 0 89 0 - 7.7-12.3 HB2 LYS 24 - HB3 LEU 43 far 0 83 0 - 9.2-31.4 HG LEU 48 - HB3 LEU 43 far 0 93 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1362 from cnoeabs.peaks (1.28, 1.28, 40.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB3 LEU 43 OK 100 100 - 100 Peak 1363 from cnoeabs.peaks (1.64, 1.28, 40.91 ppm; 4.76 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 - HB3 LEU 43 far 0 65 0 - 7.6-16.9 HD3 LYS 24 - HB3 LEU 43 far 0 89 0 - 7.8-30.3 HD3 LYS 26 - HB3 LEU 43 far 0 92 0 - 8.3-30.2 HD2 LYS 36 - HB3 LEU 43 far 0 65 0 - 8.3-15.8 HD2 LYS 26 - HB3 LEU 43 far 0 89 0 - 8.3-30.3 HD2 LYS 24 - HB3 LEU 43 far 0 87 0 - 8.4-31.7 HD2 LYS 31 - HB3 LEU 43 far 0 87 0 - 9.1-24.2 HB2 LEU 69 - HB3 LEU 43 far 0 68 0 - 9.3-11.5 HD2 LYS 19 - HB3 LEU 43 far 0 99 0 - 9.6-40.5 Violated in 0 structures by 0.00 A. Peak 1364 from cnoeabs.peaks (0.70, 1.28, 40.91 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.0-2.6 3.2=100 Violated in 0 structures by 0.00 A. Peak 1365 from cnoeabs.peaks (0.75, 1.28, 40.91 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.2-3.2 3.2=100 QD1 ILE 37 - HB3 LEU 43 far 0 73 0 - 6.6-11.9 QD1 ILE 32 - HB3 LEU 43 far 0 78 0 - 6.8-16.3 Violated in 0 structures by 0.00 A. Peak 1366 from cnoeabs.peaks (8.33, 1.28, 40.91 ppm; 5.67 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + HB3 LEU 43 OK 100 100 100 100 2.3-4.3 4.6=100 H ALA 28 - HB3 LEU 43 far 0 99 0 - 7.2-24.7 Violated in 0 structures by 0.00 A. Peak 1367 from cnoeabs.peaks (8.29, 1.64, 27.00 ppm; 6.80 A): 4 out of 10 assignments used, quality = 1.00: * H LEU 43 + HG LEU 43 OK 100 100 100 100 1.7-3.4 4.6=100 H GLU 40 + HG LEU 43 OK 99 99 100 100 3.8-6.6 ~11897=92, ~9055=88...(26) H ASP 131 + HG LEU 43 OK 55 89 65 96 5.3-9.2 11665/10572=44...(10) H ALA 21 + HG3 ARG 23 OK 30 51 100 59 4.8-7.9 1564/1.8=26, 4.7/6165=14...(11) H GLU 30 - HG3 ARG 23 far 6 42 15 - 6.2-17.6 H ALA 110 - HG3 ARG 23 far 3 61 5 - 4.6-45.6 H GLY 111 - HG3 ARG 23 far 3 58 5 - 7.4-43.3 H GLU 40 - HG3 ARG 23 far 0 67 0 - 8.9-35.2 H SER 99 - HG3 ARG 23 far 0 69 0 - 9.4-36.3 H LEU 69 - HG3 ARG 23 far 0 63 0 - 9.5-24.1 Violated in 0 structures by 0.00 A. Peak 1368 from cnoeabs.peaks (3.78, 1.64, 27.00 ppm; 4.86 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 100 100 2.9-3.6 3.7=100 HA SER 130 + HG LEU 43 OK 100 100 100 100 3.9-6.1 11747/2.1=92, ~11720=54...(33) HB3 SER 130 + HG LEU 43 OK 54 99 55 100 3.5-7.8 10509/2.1=92, ~11720=71...(31) HA VAL 133 - HG LEU 43 far 9 93 10 - 6.1-8.4 HA VAL 133 - HG2 ARG 84 far 0 76 0 - 7.0-11.7 HA VAL 133 - HG3 ARG 84 far 0 76 0 - 7.0-11.2 Violated in 0 structures by 0.00 A. Peak 1369 from cnoeabs.peaks (1.73, 1.64, 27.00 ppm; 4.35 A): 3 out of 17 assignments used, quality = 1.00: * HB2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 23 + HG3 ARG 23 OK 36 36 100 100 2.2-3.0 3.0=100 HD3 LYS 39 + HG LEU 43 OK 27 93 30 98 4.7-7.6 ~11901=45, 1377/2.1=33...(26) HG2 ARG 135 - HG3 ARG 84 far 11 71 15 - 5.0-10.3 HB2 LYS 26 - HG3 ARG 23 far 7 45 15 - 4.8-14.3 HB2 LYS 19 - HG3 ARG 23 far 2 45 5 - 3.7-12.6 HG2 ARG 135 - HG2 ARG 84 far 0 71 0 - 6.0-11.8 HB2 LYS 31 - HG3 ARG 23 far 0 57 0 - 6.2-21.9 HB2 LYS 24 - HG3 ARG 23 far 0 51 0 - 6.6-8.9 HB ILE 80 - HG3 ARG 84 far 0 81 0 - 6.9-11.8 HG2 ARG 135 - HG LEU 43 far 0 89 0 - 7.1-12.0 HG LEU 48 - HG3 ARG 23 far 0 60 0 - 7.5-28.2 HB ILE 80 - HG2 ARG 84 far 0 81 0 - 7.8-11.4 HG LEU 98 - HG3 ARG 23 far 0 54 0 - 8.5-37.8 HB ILE 80 - HG LEU 43 far 0 97 0 - 9.0-13.8 HG3 ARG 90 - HG3 ARG 84 far 0 85 0 - 9.1-14.6 HB2 LYS 26 - HG LEU 43 far 0 76 0 - 9.9-27.0 Violated in 0 structures by 0.00 A. Peak 1370 from cnoeabs.peaks (1.28, 1.64, 27.00 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 100 100 2.4-3.0 3.0=100 HG12 ILE 37 - HG3 ARG 23 far 0 68 0 - 6.1-28.3 HG12 ILE 37 - HG LEU 43 far 0 99 0 - 7.9-13.2 Violated in 0 structures by 0.00 A. Peak 1371 from cnoeabs.peaks (1.64, 1.64, 27.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 43 + HG LEU 43 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 84 84 - 100 HG2 ARG 84 + HG2 ARG 84 OK 84 84 - 100 HG3 ARG 23 + HG3 ARG 23 OK 55 55 - 100 Peak 1372 from cnoeabs.peaks (0.70, 1.64, 27.00 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 100 - HG3 ARG 23 far 0 52 0 - 9.2-26.0 QD2 LEU 62 - HG3 ARG 23 far 0 47 0 - 9.6-24.9 Violated in 0 structures by 0.00 A. Peak 1373 from cnoeabs.peaks (0.75, 1.64, 27.00 ppm; 4.13 A): 1 out of 11 assignments used, quality = 1.00: * QD2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 32 - HG3 ARG 23 far 2 47 5 - 5.4-16.6 QD1 ILE 37 - HG LEU 43 far 0 73 0 - 5.7-11.1 QD1 ILE 37 - HG3 ARG 23 far 0 44 0 - 7.0-23.5 QG1 VAL 63 - HG3 ARG 23 far 0 36 0 - 7.2-25.0 QD1 ILE 32 - HG LEU 43 far 0 78 0 - 7.3-16.0 QD1 LEU 103 - HG3 ARG 23 far 0 38 0 - 8.8-30.1 QD2 LEU 96 - HG LEU 43 far 0 99 0 - 9.2-13.7 QD2 LEU 103 - HG3 ARG 23 far 0 60 0 - 9.8-27.9 QD1 LEU 96 - HG LEU 43 far 0 89 0 - 9.9-12.8 QD2 LEU 43 - HG3 ARG 84 far 0 86 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1374 from cnoeabs.peaks (8.33, 1.64, 27.00 ppm; 6.80 A): 4 out of 9 assignments used, quality = 1.00: * H GLU 44 + HG LEU 43 OK 100 100 100 100 3.3-5.1 6522=100, 1390/2.1=100...(13) H LYS 86 + HG3 ARG 84 OK 82 84 100 98 3.9-6.6 7098/4.6=79, 7131/3.9=27...(17) H LYS 86 + HG2 ARG 84 OK 82 84 100 97 4.0-6.5 7098/4.6=79, 7131/3.9=27...(16) H ALA 21 + HG3 ARG 23 OK 20 42 100 48 4.8-7.9 4.7/6165=14, 1564/1.8=10...(10) H ALA 28 - HG3 ARG 23 poor 17 68 25 - 4.1-14.5 H GLY 17 - HG3 ARG 23 far 6 61 10 - 4.3-14.0 H LYS 19 - HG3 ARG 23 lone 4 57 40 19 6.2-12.0 6159/6165=14...(3) H ALA 28 - HG LEU 43 far 0 99 0 - 9.7-24.3 H TYR 72 - HG LEU 43 far 0 97 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 1375 from cnoeabs.peaks (8.29, 0.70, 25.73 ppm; 4.77 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.2-4.2 4.5=100 H GLU 40 + QD1 LEU 43 OK 99 99 100 100 3.5-5.8 2.8/11896=77, ~11897=56...(30) H ASP 131 - QD1 LEU 43 poor 19 89 25 85 5.6-7.6 1383/2.1=33...(10) H LEU 49 - QD1 LEU 43 far 0 92 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 1376 from cnoeabs.peaks (3.78, 0.70, 25.73 ppm; 4.52 A): 4 out of 6 assignments used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.7-4.1 4.1=100 HA SER 130 + QD1 LEU 43 OK 100 100 100 100 4.5-5.5 11747/2.1=86...(34) HA VAL 133 + QD1 LEU 43 OK 61 93 65 100 4.8-7.2 3.2/11677=79...(25) HB3 SER 130 + QD1 LEU 43 OK 59 99 60 100 4.3-6.7 10509/2.1=86, ~11720=64...(32) HB2 SER 9 - QD1 LEU 43 far 0 76 0 - 8.6-43.5 HB3 SER 9 - QD1 LEU 43 far 0 73 0 - 9.4-43.8 Violated in 0 structures by 0.00 A. Peak 1377 from cnoeabs.peaks (1.73, 0.70, 25.73 ppm; 3.76 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.0-2.6 3.2=100 HD3 LYS 39 + QD1 LEU 43 OK 64 93 70 99 3.7-6.5 3.0/11901=61...(28) HG2 ARG 135 - QD1 LEU 43 far 0 89 0 - 6.0-8.7 HB2 LYS 26 - QD1 LEU 43 far 0 76 0 - 8.0-24.2 HB ILE 80 - QD1 LEU 43 far 0 97 0 - 8.0-13.1 HB2 LYS 24 - QD1 LEU 43 far 0 83 0 - 8.9-27.2 HG13 ILE 129 - QD1 LEU 43 far 0 89 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 1378 from cnoeabs.peaks (1.28, 0.70, 25.73 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.0-2.6 3.2=100 HG12 ILE 37 - QD1 LEU 43 far 0 99 0 - 8.2-12.4 Violated in 0 structures by 0.00 A. Peak 1379 from cnoeabs.peaks (1.64, 0.70, 25.73 ppm; 3.67 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 24 - QD1 LEU 43 far 0 89 0 - 7.1-26.4 HD3 LYS 36 - QD1 LEU 43 far 0 65 0 - 7.5-14.9 HD2 LYS 24 - QD1 LEU 43 far 0 87 0 - 8.0-27.3 HD2 LYS 36 - QD1 LEU 43 far 0 65 0 - 8.0-14.2 HD2 LYS 26 - QD1 LEU 43 far 0 89 0 - 8.7-25.9 HD3 LYS 26 - QD1 LEU 43 far 0 92 0 - 8.8-26.3 HD2 LYS 31 - QD1 LEU 43 far 0 87 0 - 9.2-20.8 QB ALA 88 - QD1 LEU 43 far 0 87 0 - 9.2-11.0 HB2 LEU 69 - QD1 LEU 43 far 0 68 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 1380 from cnoeabs.peaks (0.70, 0.70, 25.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + QD1 LEU 43 OK 100 100 - 100 Peak 1381 from cnoeabs.peaks (0.75, 0.70, 25.73 ppm; 2.64 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 37 - QD1 LEU 43 far 0 73 0 - 6.3-10.6 QD1 ILE 32 - QD1 LEU 43 far 0 78 0 - 7.0-14.9 QD1 LEU 96 - QD1 LEU 43 far 0 89 0 - 9.2-12.0 QD2 LEU 96 - QD1 LEU 43 far 0 99 0 - 9.3-12.6 HG12 ILE 129 - QD1 LEU 43 far 0 100 0 - 9.6-10.8 QG1 VAL 93 - QD1 LEU 43 far 0 100 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 1382 from cnoeabs.peaks (8.33, 0.70, 25.73 ppm; 5.51 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + QD1 LEU 43 OK 100 100 100 100 3.9-4.8 6523=100, 6522/2.1=97...(18) H ALA 28 - QD1 LEU 43 far 0 99 0 - 8.2-22.1 H LYS 86 - QD1 LEU 43 far 0 99 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1383 from cnoeabs.peaks (8.29, 0.75, 22.33 ppm; 3.93 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 43 OK 100 100 100 100 1.9-3.9 6510=94, 6508/2.1=76...(31) H ASP 131 + QD2 LEU 43 OK 78 89 90 97 3.5-6.1 3.6/11747=51...(15) H GLU 40 + QD2 LEU 43 OK 49 99 50 100 4.2-7.3 2.8/11897=65, ~9055=35...(30) H LEU 49 - QD2 LEU 43 far 0 92 0 - 7.6-9.8 H VAL 126 - QD2 LEU 43 far 0 100 0 - 8.8-10.6 H LEU 69 - QD2 LEU 43 far 0 97 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 1384 from cnoeabs.peaks (3.78, 0.75, 22.33 ppm; 2.87 A): 4 out of 5 assignments used, quality = 1.00: HA SER 130 + QD2 LEU 43 OK 97 100 100 97 2.1-3.6 11747=38, 3.0/11720=30...(31) * HA LEU 43 + QD2 LEU 43 OK 97 100 100 97 1.8-2.6 1345=49, 1344/2.1=36...(20) HB3 SER 130 + QD2 LEU 43 OK 75 99 80 95 1.7-5.4 1.8/11720=38, 10509=38...(30) HA VAL 133 + QD2 LEU 43 OK 36 93 40 96 3.9-6.9 3.2/11777=38...(20) HA ARG 90 - QD2 LEU 43 far 0 95 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1385 from cnoeabs.peaks (1.73, 0.75, 22.33 ppm; 3.62 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-3.2 3.2=100 HD3 LYS 39 + QD2 LEU 43 OK 27 93 30 97 3.9-7.9 ~11901=31, 1377/2.1=25...(28) HG2 ARG 135 - QD2 LEU 43 far 0 89 0 - 6.3-8.5 HB ILE 80 - QD2 LEU 43 far 0 97 0 - 6.7-12.7 HG13 ILE 129 - QD2 LEU 43 far 0 89 0 - 7.2-8.6 HB2 LYS 26 - QD2 LEU 43 far 0 76 0 - 7.2-22.9 HG LEU 48 - QD2 LEU 43 far 0 93 0 - 9.1-11.3 HG3 ARG 90 - QD2 LEU 43 far 0 100 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 1386 from cnoeabs.peaks (1.28, 0.75, 22.33 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.2-3.2 3.2=100 HG12 ILE 37 - QD2 LEU 43 far 0 99 0 - 7.5-12.1 Violated in 0 structures by 0.00 A. Peak 1387 from cnoeabs.peaks (1.64, 0.75, 22.33 ppm; 3.29 A): 1 out of 12 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 36 - QD2 LEU 43 far 0 65 0 - 6.2-14.8 HD2 LYS 36 - QD2 LEU 43 far 0 65 0 - 6.2-13.3 HB2 LEU 69 - QD2 LEU 43 far 0 68 0 - 7.2-9.5 QB ALA 88 - QD2 LEU 43 far 0 87 0 - 8.0-9.6 HD3 LYS 24 - QD2 LEU 43 far 0 89 0 - 9.0-25.9 HD3 LYS 26 - QD2 LEU 43 far 0 92 0 - 9.1-25.3 HD2 LYS 26 - QD2 LEU 43 far 0 89 0 - 9.5-24.0 HD2 LYS 24 - QD2 LEU 43 far 0 87 0 - 9.6-26.4 HB2 LEU 123 - QD2 LEU 43 far 0 99 0 - 9.7-14.6 HD2 LYS 31 - QD2 LEU 43 far 0 87 0 - 9.8-19.8 HG3 ARG 84 - QD2 LEU 43 far 0 99 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1388 from cnoeabs.peaks (0.70, 0.75, 22.33 ppm; 2.63 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + QD2 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 62 - QD2 LEU 43 far 0 78 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 1389 from cnoeabs.peaks (0.75, 0.75, 22.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 Peak 1390 from cnoeabs.peaks (8.33, 0.75, 22.33 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 44 + QD2 LEU 43 OK 100 100 100 100 4.1-4.9 6524=79, 6522/2.1=74...(17) H ALA 28 - QD2 LEU 43 far 0 99 0 - 8.0-20.7 H TYR 72 - QD2 LEU 43 far 0 97 0 - 8.3-10.5 H LYS 86 - QD2 LEU 43 far 0 99 0 - 8.8-12.9 Violated in 11 structures by 0.15 A. Peak 1391 from cnoeabs.peaks (8.33, 4.05, 58.87 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 44 + HA GLU 44 OK 100 100 100 100 2.8-2.9 2.8=100 H ALA 28 - HA GLU 44 far 5 99 5 - 3.1-24.1 H GLY 17 - HA GLU 44 far 0 95 0 - 9.0-35.2 H TYR 72 - HA LEU 122 far 0 54 0 - 9.7-13.2 H ALA 28 - HA LEU 96 far 0 80 0 - 9.8-21.5 H LYS 19 - HA GLU 44 far 0 90 0 - 9.9-36.3 Violated in 0 structures by 0.00 A. Peak 1392 from cnoeabs.peaks (4.05, 4.05, 58.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 44 + HA GLU 44 OK 100 100 - 100 HA LEU 96 + HA LEU 96 OK 80 80 - 100 HA LEU 122 + HA LEU 122 OK 60 60 - 100 Peak 1393 from cnoeabs.peaks (2.02, 4.05, 58.87 ppm; 3.61 A): 1 out of 13 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 40 - HA GLU 44 far 0 96 0 - 6.3-9.9 HB ILE 129 - HA LEU 96 far 0 60 0 - 6.9-9.4 HB ILE 129 - HA LEU 122 far 0 42 0 - 7.7-9.7 HB3 PRO 117 - HA LEU 122 far 0 50 0 - 8.1-10.8 HB3 PRO 117 - HA LEU 96 far 0 70 0 - 8.4-12.8 HG2 PRO 117 - HA LEU 122 far 0 28 0 - 8.5-11.3 HG2 PRO 117 - HA LEU 96 far 0 41 0 - 8.6-14.3 HB2 GLN 134 - HA GLU 44 far 0 100 0 - 8.7-12.1 HG3 PRO 117 - HA LEU 122 far 0 32 0 - 8.8-11.7 HB3 GLU 91 - HA LEU 96 far 0 78 0 - 9.2-11.5 HG3 PRO 117 - HA LEU 96 far 0 47 0 - 9.3-13.4 HB2 GLU 91 - HA LEU 96 far 0 43 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1394 from cnoeabs.peaks (2.08, 4.05, 58.87 ppm; 3.73 A): 2 out of 23 assignments used, quality = 1.00: * HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB VAL 126 + HA LEU 96 OK 23 47 55 89 3.5-8.5 2.1/11689=62...(19) HB VAL 126 - HA LEU 122 poor 18 32 55 - 3.8-7.1 HB3 GLN 27 - HA GLU 44 far 9 89 10 - 2.0-26.5 HB VAL 118 - HA LEU 122 far 0 42 0 - 6.3-8.2 HB VAL 118 - HA LEU 96 far 0 60 0 - 6.6-9.3 HB2 GLU 128 - HA LEU 96 far 0 82 0 - 7.0-11.2 HB2 GLN 127 - HA LEU 122 far 0 42 0 - 7.4-9.7 HB2 GLU 128 - HA LEU 122 far 0 60 0 - 7.5-10.1 HG3 GLN 134 - HA GLU 44 far 0 100 0 - 7.5-10.7 HB2 GLN 127 - HA LEU 96 far 0 60 0 - 7.8-11.6 HB2 GLU 102 - HA LEU 96 far 0 81 0 - 7.9-11.8 HB3 GLN 27 - HA LEU 96 far 0 67 0 - 8.5-24.2 HG2 PRO 117 - HA LEU 122 far 0 37 0 - 8.5-11.3 HG2 PRO 117 - HA LEU 96 far 0 53 0 - 8.6-14.3 HG3 PRO 117 - HA LEU 122 far 0 32 0 - 8.8-11.7 HB2 GLU 102 - HA LEU 122 far 0 59 0 - 8.9-11.8 HB2 LEU 62 - HA LEU 122 far 0 42 0 - 9.1-13.0 HG3 PRO 117 - HA LEU 96 far 0 47 0 - 9.3-13.4 HB VAL 126 - HA GLU 44 far 0 65 0 - 9.5-14.0 HB2 GLN 127 - HA GLU 44 far 0 81 0 - 9.5-12.9 HB3 GLN 27 - HA LEU 122 far 0 47 0 - 10.0-24.1 HB3 LYS 39 - HA GLU 44 far 0 100 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 1395 from cnoeabs.peaks (2.34, 4.05, 58.87 ppm; 3.81 A): 1 out of 16 assignments used, quality = 1.00: * HG2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.0-3.7 3.7=100 HG2 GLN 27 - HA GLU 44 far 5 92 5 - 4.0-26.3 HG3 GLN 27 - HA GLU 44 far 4 81 5 - 3.2-25.3 HG2 GLU 40 - HA GLU 44 far 0 76 0 - 5.4-9.6 HG2 GLN 127 - HA LEU 122 far 0 47 0 - 6.4-7.7 HG2 GLN 127 - HA LEU 96 far 0 67 0 - 7.1-9.7 HB3 GLN 134 - HA GLU 44 far 0 99 0 - 7.7-10.5 HG2 GLN 27 - HA LEU 96 far 0 70 0 - 7.8-25.0 HG3 GLU 30 - HA GLU 44 far 0 99 0 - 8.5-24.3 HG2 GLU 102 - HA LEU 96 far 0 60 0 - 8.6-12.0 HB2 PRO 117 - HA LEU 96 far 0 53 0 - 8.6-14.3 HG3 GLN 68 - HA GLU 44 far 0 93 0 - 8.8-12.8 HG2 GLN 27 - HA LEU 122 far 0 50 0 - 9.0-25.1 HG2 GLU 102 - HA LEU 122 far 0 42 0 - 9.1-11.9 HB2 PRO 117 - HA LEU 122 far 0 37 0 - 9.2-11.2 HG3 GLN 27 - HA LEU 96 far 0 60 0 - 9.6-23.5 Violated in 0 structures by 0.00 A. Peak 1396 from cnoeabs.peaks (2.51, 4.05, 58.87 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.5-3.9 3.7=100 HG3 GLN 127 - HA LEU 122 far 0 39 0 - 6.8-9.3 HG3 GLN 127 - HA LEU 96 far 0 55 0 - 7.4-11.1 HG3 GLU 102 - HA LEU 96 far 0 72 0 - 8.6-12.0 HG3 GLU 102 - HA LEU 122 far 0 51 0 - 8.6-12.4 HG3 GLN 127 - HA GLU 44 far 0 76 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 1397 from cnoeabs.peaks (7.69, 4.05, 58.87 ppm; 4.41 A): 3 out of 5 assignments used, quality = 1.00: * H CYS 45 + HA GLU 44 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 95 + HA LEU 96 OK 62 65 100 95 4.7-5.1 7308/3.6=38, 7291=30...(27) H GLN 101 + HA LEU 96 OK 41 78 60 88 5.2-6.5 7409/3.6=29, 3.1/7388=19...(20) H LYS 95 - HA LEU 122 far 2 46 5 - 5.3-7.7 H GLN 101 - HA LEU 122 far 0 56 0 - 6.0-7.2 Violated in 0 structures by 0.00 A. Peak 1398 from cnoeabs.peaks (8.46, 4.05, 58.87 ppm; 4.42 A): 3 out of 7 assignments used, quality = 1.00: * H ASP 47 + HA GLU 44 OK 100 100 100 100 3.2-3.9 6563=100, 6571/1400=67...(10) H LEU 100 + HA LEU 96 OK 36 41 100 88 3.0-5.0 4.5/3214=22, 4.5/3208=21...(27) H LEU 100 + HA LEU 122 OK 25 28 100 91 3.9-5.2 4.5/3214=24, 4.5/3208=22...(31) H LEU 70 - HA LEU 122 far 0 57 0 - 6.0-10.1 H VAL 93 - HA LEU 96 far 0 55 0 - 6.5-7.5 H LEU 70 - HA LEU 96 far 0 79 0 - 7.2-8.8 H VAL 93 - HA LEU 122 far 0 39 0 - 7.3-10.2 Violated in 0 structures by 0.00 A. Peak 1399 from cnoeabs.peaks (2.72, 4.05, 58.87 ppm; 4.29 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ASP 47 + HA GLU 44 OK 100 100 100 100 2.8-3.9 1471=100, 1.8/1400=88...(8) HB2 CYS 125 + HA LEU 96 OK 61 61 100 99 1.9-4.2 11684/11689=35...(32) HB2 CYS 125 + HA LEU 122 OK 41 43 100 95 2.2-4.7 11653/3.0=34...(22) Violated in 0 structures by 0.00 A. Peak 1400 from cnoeabs.peaks (2.84, 4.05, 58.87 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HA GLU 44 OK 100 100 100 100 2.3-3.3 1477=97, 1.8/1471=73...(8) HB3 ASP 131 - HA GLU 44 far 0 76 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (3.91, 2.02, 28.31 ppm; 4.05 A): 3 out of 8 assignments used, quality = 1.00: * HA ALA 41 + HB2 GLU 44 OK 100 100 100 100 2.2-4.1 1409/1.8=84, 1280=81...(18) HA LYS 86 + HG2 ARG 90 OK 34 71 55 88 3.6-6.8 9818/9662=33...(17) HA ALA 41 + HB3 GLU 40 OK 26 87 30 100 4.0-5.6 ~6470=41, ~1253=37...(24) HB2 SER 94 - HG2 ARG 90 lone 3 94 25 13 4.4-8.0 11419/11412=7, 2858/2853=5 HA ALA 46 - HB2 GLU 44 far 0 93 0 - 7.3-8.5 HB2 SER 33 - HB3 GLU 40 far 0 86 0 - 9.2-17.3 HB2 SER 33 - HB2 GLU 44 far 0 100 0 - 9.3-17.7 HB3 SER 50 - HB2 GLU 44 far 0 81 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 1402 from cnoeabs.peaks (8.33, 2.02, 28.31 ppm; 3.66 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.1-3.4 6526=100, 6527/1.8=82...(21) H ALA 28 - HB2 GLU 44 far 10 99 10 - 4.8-22.9 H GLU 44 - HB3 GLU 40 far 0 87 0 - 5.2-7.5 H LYS 86 - HG2 ARG 90 far 0 94 0 - 5.8-8.5 H GLY 17 - HB2 GLU 44 far 0 95 0 - 6.8-33.8 H ALA 21 - HB3 GLU 40 far 0 55 0 - 7.7-36.6 H LYS 19 - HB2 GLU 44 far 0 90 0 - 9.2-34.7 H ALA 28 - HB3 GLU 40 far 0 85 0 - 9.6-26.4 H ALA 21 - HB2 GLU 44 far 0 71 0 - 9.8-32.1 Violated in 0 structures by 0.00 A. Peak 1403 from cnoeabs.peaks (4.05, 2.02, 28.31 ppm; 3.71 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 HA ILE 37 - HB2 GLU 44 far 0 63 0 - 6.0-9.2 HA ILE 37 - HB3 GLU 40 far 0 48 0 - 6.0-10.4 HA GLU 44 - HB3 GLU 40 far 0 87 0 - 6.3-9.9 HA ALA 92 - HG2 ARG 90 far 0 96 0 - 7.3-9.1 HD3 PRO 81 - HB3 GLU 40 far 0 80 0 - 8.3-14.5 HD3 PRO 81 - HG2 ARG 90 far 0 90 0 - 8.7-13.9 HB2 SER 74 - HG2 ARG 90 far 0 77 0 - 8.7-10.9 HA LYS 95 - HG2 ARG 90 far 0 54 0 - 9.4-12.4 HB3 SER 74 - HG2 ARG 90 far 0 75 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1404 from cnoeabs.peaks (2.02, 2.02, 28.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HG2 ARG 90 + HG2 ARG 90 OK 96 96 - 100 HB3 GLU 40 + HB3 GLU 40 OK 79 79 - 100 Peak 1405 from cnoeabs.peaks (2.08, 2.02, 28.31 ppm; 2.51 A): 1 out of 11 assignments used, quality = 1.00: * HB3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB2 GLU 44 far 4 89 5 - 1.9-25.1 HB3 LYS 39 - HB3 GLU 40 far 0 87 0 - 4.5-7.0 HB3 GLU 44 - HB3 GLU 40 far 0 87 0 - 5.4-8.5 HG3 GLN 134 - HB3 GLU 40 far 0 86 0 - 7.1-14.1 HB3 GLN 27 - HB3 GLU 40 far 0 71 0 - 7.3-28.5 HG3 PRO 81 - HB3 GLU 40 far 0 53 0 - 7.7-16.9 HG3 GLN 134 - HB2 GLU 44 far 0 100 0 - 8.2-12.0 HB3 LYS 39 - HB2 GLU 44 far 0 100 0 - 9.0-11.8 HG3 PRO 81 - HG2 ARG 90 far 0 61 0 - 9.2-14.1 HB2 GLU 128 - HG2 ARG 90 far 0 95 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1406 from cnoeabs.peaks (2.34, 2.02, 28.31 ppm; 3.80 A): 2 out of 14 assignments used, quality = 1.00: * HG2 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 40 + HB3 GLU 40 OK 59 59 100 100 2.2-3.0 3.0=100 HG2 GLU 40 - HB2 GLU 44 poor 19 76 25 - 4.3-8.6 HB VAL 77 - HG2 ARG 90 far 5 95 5 - 5.2-7.1 HG2 GLN 27 - HB2 GLU 44 far 5 92 5 - 4.5-24.7 HG2 GLU 44 - HB3 GLU 40 far 4 87 5 - 4.2-9.8 HG3 GLN 27 - HB2 GLU 44 far 4 81 5 - 4.1-24.4 HB3 GLN 134 - HB3 GLU 40 far 0 83 0 - 6.2-11.5 HG3 GLN 27 - HB3 GLU 40 far 0 63 0 - 7.3-27.3 HG3 GLN 68 - HB2 GLU 44 far 0 93 0 - 7.7-11.8 HG3 GLU 30 - HB2 GLU 44 far 0 99 0 - 7.9-23.5 HG2 GLN 27 - HB3 GLU 40 far 0 75 0 - 7.9-28.0 HB3 GLN 134 - HB2 GLU 44 far 0 99 0 - 8.6-10.9 HG3 GLU 30 - HG2 ARG 90 far 0 94 0 - 8.6-30.7 Violated in 0 structures by 0.00 A. Peak 1407 from cnoeabs.peaks (2.51, 2.02, 28.31 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 GLU 44 - HB3 GLU 40 far 9 87 10 - 4.3-9.1 HB2 ASP 78 - HG2 ARG 90 far 0 96 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 1408 from cnoeabs.peaks (7.69, 2.02, 28.31 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 45 + HB2 GLU 44 OK 100 100 100 100 2.3-3.4 6539=100, 1416/1.8=82...(21) H LYS 95 - HG2 ARG 90 far 0 79 0 - 7.2-9.7 H CYS 45 - HB3 GLU 40 far 0 87 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 1409 from cnoeabs.peaks (3.91, 2.08, 28.31 ppm; 4.07 A): 1 out of 13 assignments used, quality = 1.00: * HA ALA 41 + HB3 GLU 44 OK 100 100 100 100 2.6-4.2 1281=99, 1401/1.8=82...(22) HB2 SER 107 - HB2 GLU 102 lone 4 72 30 19 4.7-14.7 10110/11622=12...(4) HA2 GLY 111 - HB2 GLU 102 far 0 56 0 - 6.8-19.2 HA ALA 46 - HB3 GLU 44 far 0 93 0 - 7.2-8.7 HA3 GLY 2 - HB2 GLU 128 far 0 86 0 - 7.6-77.0 HA2 GLY 2 - HB2 GLU 128 far 0 86 0 - 8.3-76.6 HA LEU 70 - HB2 GLU 128 far 0 59 0 - 8.9-12.3 HB3 SER 50 - HB3 GLU 44 far 0 81 0 - 8.9-11.2 HD3 PRO 113 - HB2 GLU 102 far 0 44 0 - 9.0-20.4 HA ALA 46 - HB2 GLU 128 far 0 90 0 - 9.3-11.4 HA LYS 86 - HB2 GLU 128 far 0 74 0 - 9.5-12.8 HB3 SER 50 - HB2 GLU 128 far 0 77 0 - 9.6-12.6 HB2 SER 33 - HB3 GLU 44 far 0 100 0 - 9.7-18.5 Violated in 2 structures by 0.01 A. Peak 1410 from cnoeabs.peaks (8.33, 2.08, 28.31 ppm; 3.62 A): 1 out of 7 assignments used, quality = 1.00: * H GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.1-3.6 6527=100, 6526/1.8=82...(18) H ALA 28 - HB3 GLU 44 far 10 99 10 - 3.2-22.9 H GLY 17 - HB3 GLU 44 far 0 95 0 - 7.2-33.2 H ALA 21 - HB2 GLU 102 far 0 50 0 - 7.6-42.8 H LYS 19 - HB3 GLU 44 far 0 90 0 - 9.1-34.3 H GLY 17 - HB2 GLU 102 far 0 72 0 - 9.4-46.3 H LYS 19 - HB2 GLU 102 far 0 67 0 - 9.5-46.5 Violated in 0 structures by 0.00 A. Peak 1411 from cnoeabs.peaks (4.05, 2.08, 28.31 ppm; 3.72 A): 2 out of 13 assignments used, quality = 1.00: * HA GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HA GLU 102 + HB2 GLU 102 OK 81 81 100 100 2.3-3.0 3.0=100 HA ALA 92 - HB2 GLU 128 far 15 98 15 - 4.1-6.9 HB3 SER 124 - HB2 GLU 128 far 0 81 0 - 5.7-8.6 HA ILE 37 - HB3 GLU 44 far 0 63 0 - 5.7-10.6 HA LEU 96 - HB2 GLU 128 far 0 96 0 - 7.0-11.2 HA LEU 122 - HB2 GLU 128 far 0 98 0 - 7.5-10.1 HA LEU 96 - HB2 GLU 102 far 0 78 0 - 7.9-11.8 HA LYS 95 - HB2 GLU 102 far 0 42 0 - 8.2-10.7 HA LYS 95 - HB2 GLU 128 far 0 56 0 - 8.6-12.0 HA LEU 122 - HB2 GLU 102 far 0 81 0 - 8.9-11.8 HA LEU 119 - HB2 GLU 102 far 0 54 0 - 9.3-13.7 HB THR 65 - HB3 GLU 44 far 0 89 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 1412 from cnoeabs.peaks (2.02, 2.08, 28.31 ppm; 2.66 A): 1 out of 15 assignments used, quality = 1.00: * HB2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 20 - HB2 GLU 102 far 0 56 0 - 4.8-42.2 HB ILE 129 - HB2 GLU 128 far 0 77 0 - 5.0-6.7 HB3 GLU 40 - HB3 GLU 44 far 0 96 0 - 5.4-8.5 HG2 PRO 117 - HB2 GLU 102 far 0 40 0 - 6.1-13.1 HB2 GLU 91 - HB2 GLU 128 far 0 56 0 - 6.2-10.0 HB3 GLU 91 - HB2 GLU 128 far 0 95 0 - 6.4-11.3 HG3 PRO 117 - HB2 GLU 102 far 0 46 0 - 7.1-14.7 QE MET 11 - HB2 GLU 102 far 0 66 0 - 7.5-46.1 HG3 ARG 135 - HB2 GLU 128 far 0 95 0 - 8.3-11.3 HB3 GLU 30 - HB3 GLU 44 far 0 100 0 - 8.6-24.0 HB3 PRO 117 - HB2 GLU 102 far 0 69 0 - 8.9-14.6 HB VAL 20 - HB3 GLU 44 far 0 78 0 - 9.7-29.8 HG2 ARG 90 - HB2 GLU 128 far 0 98 0 - 9.7-12.8 HB2 GLN 134 - HB3 GLU 44 far 0 100 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 1413 from cnoeabs.peaks (2.08, 2.08, 28.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 HB2 GLU 128 + HB2 GLU 128 OK 98 98 - 100 HB2 GLU 102 + HB2 GLU 102 OK 80 80 - 100 Peak 1414 from cnoeabs.peaks (2.34, 2.08, 28.31 ppm; 3.65 A): 2 out of 12 assignments used, quality = 1.00: * HG2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 58 58 100 100 2.2-3.0 3.0=100 HG2 GLN 27 - HB3 GLU 44 far 9 92 10 - 4.7-24.4 HG3 GLN 27 - HB3 GLU 44 far 4 81 5 - 4.6-24.3 HG2 GLU 40 - HB3 GLU 44 far 4 76 5 - 4.2-8.9 HG2 GLN 127 - HB2 GLU 128 far 0 85 0 - 6.0-7.8 HG3 GLU 30 - HB3 GLU 44 far 0 99 0 - 6.5-24.0 HG2 GLN 27 - HB2 GLU 102 far 0 69 0 - 6.6-30.3 HG3 GLN 27 - HB2 GLU 102 far 0 58 0 - 6.7-28.8 HG3 GLN 68 - HB3 GLU 44 far 0 93 0 - 7.3-13.0 HB2 PRO 117 - HB2 GLU 102 far 0 52 0 - 7.9-15.4 HB3 GLN 134 - HB3 GLU 44 far 0 99 0 - 8.6-12.2 Violated in 0 structures by 0.00 A. Peak 1415 from cnoeabs.peaks (2.51, 2.08, 28.31 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 102 + HB2 GLU 102 OK 70 70 100 100 2.2-3.0 3.0=100 HG3 GLN 127 - HB2 GLU 128 far 11 72 15 - 4.7-8.2 Violated in 0 structures by 0.00 A. Peak 1416 from cnoeabs.peaks (7.69, 2.08, 28.31 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 45 + HB3 GLU 44 OK 100 100 100 100 2.4-4.1 6540=98, 6539/1.8=78...(21) H GLN 101 - HB2 GLU 102 poor 19 76 25 - 4.6-6.6 H LYS 95 - HB2 GLU 128 far 0 83 0 - 7.0-10.0 Violated in 2 structures by 0.00 A. Peak 1417 from cnoeabs.peaks (8.33, 2.34, 34.64 ppm; 3.93 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 44 OK 100 100 100 100 3.3-4.4 6528=100, 1424/1.8=82...(16) H ALA 28 - HG2 GLU 44 far 10 99 10 - 5.2-25.2 H GLY 17 - HG2 GLU 44 far 0 95 0 - 6.5-35.1 H LYS 19 - HG2 GLU 44 far 0 90 0 - 7.9-36.1 H ALA 21 - HG2 GLU 44 far 0 71 0 - 8.4-33.7 Violated in 10 structures by 0.15 A. Peak 1418 from cnoeabs.peaks (4.05, 2.34, 34.64 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.0-3.7 3.7=87, 1425/1.8=69...(13) HA ILE 37 - HG2 GLU 44 far 0 63 0 - 6.7-12.1 HB THR 65 - HG2 GLU 44 far 0 89 0 - 7.7-14.8 Violated in 3 structures by 0.01 A. Peak 1419 from cnoeabs.peaks (2.02, 2.34, 34.64 ppm; 3.26 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 40 - HG2 GLU 44 far 5 96 5 - 4.2-9.8 HB VAL 20 - HG2 GLU 44 far 0 78 0 - 8.6-31.7 HB2 GLN 134 - HG2 GLU 44 far 0 100 0 - 9.2-13.5 HB3 GLU 30 - HG2 GLU 44 far 0 100 0 - 9.8-25.8 Violated in 0 structures by 0.00 A. Peak 1420 from cnoeabs.peaks (2.08, 2.34, 34.64 ppm; 3.35 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 27 - HG2 GLU 44 far 9 89 10 - 3.9-27.4 HG3 GLN 134 - HG2 GLU 44 far 0 100 0 - 8.6-13.6 HB3 LYS 39 - HG2 GLU 44 far 0 100 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 1421 from cnoeabs.peaks (2.34, 2.34, 34.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 44 + HG2 GLU 44 OK 100 100 - 100 Peak 1422 from cnoeabs.peaks (2.51, 2.34, 34.64 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 127 - HG2 GLU 44 far 0 76 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 1423 from cnoeabs.peaks (7.69, 2.34, 34.64 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + HG2 GLU 44 OK 100 100 100 100 2.8-4.9 6539/3.0=85, 3.6/1418=85...(19) Violated in 0 structures by 0.00 A. Peak 1424 from cnoeabs.peaks (8.33, 2.51, 34.64 ppm; 3.64 A): 1 out of 8 assignments used, quality = 1.00: * H GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.6-4.2 6529=99, 6528/1.8=68...(19) H ALA 28 - HG3 GLU 44 far 10 99 10 - 3.9-25.0 H GLY 17 - HG3 GLU 44 far 0 95 0 - 5.6-36.1 H LYS 19 - HG3 GLU 44 far 0 90 0 - 7.6-37.1 H ALA 21 - HG3 GLU 44 far 0 71 0 - 7.7-34.2 H ALA 28 - HG3 GLU 102 far 0 79 0 - 8.2-27.7 H ALA 21 - HG3 GLU 102 far 0 50 0 - 9.1-41.8 H TYR 72 - HG3 GLU 44 far 0 97 0 - 10.0-14.4 Violated in 14 structures by 0.11 A. Peak 1425 from cnoeabs.peaks (4.05, 2.51, 34.64 ppm; 3.76 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.5-3.9 3.7=100 HA GLU 102 + HG3 GLU 102 OK 80 80 100 100 2.1-3.8 3.7=100 HA ILE 37 - HG3 GLU 44 far 0 63 0 - 5.3-11.1 HA LYS 95 - HG3 GLU 102 far 0 41 0 - 7.6-10.7 HB THR 65 - HG3 GLU 44 far 0 89 0 - 8.2-15.8 HA LEU 96 - HG3 GLU 102 far 0 78 0 - 8.6-12.0 HA LEU 122 - HG3 GLU 102 far 0 80 0 - 8.6-12.4 HA LEU 119 - HG3 GLU 102 far 0 54 0 - 9.3-14.7 Violated in 0 structures by 0.00 A. Peak 1426 from cnoeabs.peaks (2.02, 2.51, 34.64 ppm; 3.49 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLU 40 - HG3 GLU 44 far 5 96 5 - 4.3-9.1 HB VAL 20 - HG3 GLU 102 far 0 56 0 - 6.2-41.0 HG2 PRO 117 - HG3 GLU 102 far 0 39 0 - 6.4-14.1 HB VAL 20 - HG3 GLU 44 far 0 78 0 - 7.3-32.6 QE MET 11 - HG3 GLU 102 far 0 65 0 - 7.8-45.4 HG3 PRO 117 - HG3 GLU 102 far 0 46 0 - 7.8-15.7 HB3 PRO 117 - HG3 GLU 102 far 0 69 0 - 8.3-15.4 HB2 GLN 134 - HG3 GLU 44 far 0 100 0 - 9.2-13.4 Violated in 0 structures by 0.00 A. Peak 1427 from cnoeabs.peaks (2.08, 2.51, 34.64 ppm; 3.57 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 102 + HG3 GLU 102 OK 80 80 100 100 2.2-3.0 3.0=100 HB3 GLN 27 - HG3 GLU 44 far 13 89 15 - 3.0-27.1 HB3 GLN 27 - HG3 GLU 102 far 3 65 5 - 5.0-29.7 HB VAL 118 - HG3 GLU 102 far 0 58 0 - 5.2-11.1 HG2 PRO 117 - HG3 GLU 102 far 0 52 0 - 6.4-14.1 HG3 PRO 117 - HG3 GLU 102 far 0 46 0 - 7.8-15.7 HG3 GLN 134 - HG3 GLU 44 far 0 100 0 - 8.7-13.3 HB3 LYS 39 - HG3 GLU 44 far 0 100 0 - 9.1-11.9 HB VAL 126 - HG3 GLU 44 far 0 65 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 1428 from cnoeabs.peaks (2.34, 2.51, 34.64 ppm; 2.50 A): 2 out of 11 assignments used, quality = 1.00: * HG2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 102 + HG3 GLU 102 OK 58 58 100 100 1.8-1.8 1.8=100 HG2 GLN 27 - HG3 GLU 44 far 0 92 0 - 4.0-26.7 HG3 GLN 27 - HG3 GLU 44 far 0 81 0 - 4.6-26.6 HG2 GLU 40 - HG3 GLU 44 far 0 76 0 - 5.0-9.9 HG2 GLN 27 - HG3 GLU 102 far 0 69 0 - 5.0-30.4 HG3 GLN 27 - HG3 GLU 102 far 0 58 0 - 5.0-28.9 HG3 GLN 68 - HG3 GLU 44 far 0 93 0 - 6.5-13.4 HG3 GLU 30 - HG3 GLU 44 far 0 99 0 - 7.6-24.2 HB3 GLN 134 - HG3 GLU 44 far 0 99 0 - 8.0-12.1 HB2 PRO 117 - HG3 GLU 102 far 0 52 0 - 9.4-16.5 Violated in 0 structures by 0.00 A. Peak 1429 from cnoeabs.peaks (2.51, 2.51, 34.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 HG3 GLU 102 + HG3 GLU 102 OK 70 70 - 100 Peak 1430 from cnoeabs.peaks (7.69, 2.51, 34.64 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: * H CYS 45 + HG3 GLU 44 OK 100 100 100 100 2.0-5.0 3.4/1424=75, 6539/3.0=75...(16) H GLN 101 + HG3 GLU 102 OK 64 76 85 99 4.8-6.5 3.1/7458=71, ~7457=53...(13) H LYS 95 - HG3 GLU 102 far 0 64 0 - 9.5-13.1 Violated in 2 structures by 0.01 A. Peak 1431 from cnoeabs.peaks (7.69, 4.12, 62.50 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + HA CYS 45 OK 100 100 100 100 2.7-2.8 2.8=100 H LEU 53 - HA CYS 45 far 0 65 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 1432 from cnoeabs.peaks (4.12, 4.12, 62.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 45 + HA CYS 45 OK 100 100 - 100 Peak 1433 from cnoeabs.peaks (2.94, 4.12, 62.50 ppm; 4.66 A): 1 out of 11 assignments used, quality = 1.00: * HB2 CYS 45 + HA CYS 45 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 36 - HA CYS 45 poor 18 92 20 - 4.7-13.1 HE3 LYS 36 - HA CYS 45 poor 17 85 20 - 3.9-13.5 HE3 LYS 26 - HA CYS 45 far 7 71 10 - 4.1-28.4 HE2 LYS 24 - HA CYS 45 far 5 95 5 - 5.3-27.0 HE3 LYS 24 - HA CYS 45 far 4 85 5 - 5.1-25.4 HE2 LYS 26 - HA CYS 45 far 4 71 5 - 4.8-28.2 HE3 LYS 31 - HA CYS 45 far 4 71 5 - 6.1-22.9 HE2 LYS 31 - HA CYS 45 far 0 78 0 - 6.7-21.6 HG CYS 73 - HA CYS 45 far 0 99 0 - 8.2-11.8 HE3 LYS 19 - HA CYS 45 far 0 78 0 - 9.7-35.4 Violated in 0 structures by 0.00 A. Peak 1434 from cnoeabs.peaks (3.13, 4.12, 62.50 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: * HB3 CYS 45 + HA CYS 45 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 HIS 7 - HA CYS 45 far 0 78 0 - 8.0-50.6 HB2 HIS 7 - HA CYS 45 far 0 85 0 - 8.4-49.8 HB3 HIS 3 - HA CYS 45 far 0 78 0 - 9.8-60.4 Violated in 0 structures by 0.00 A. Peak 1435 from cnoeabs.peaks (8.54, 4.12, 62.50 ppm; 5.83 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HA CYS 45 OK 100 100 100 100 3.4-3.6 3.6=100 H HIS 5 - HA CYS 45 far 0 99 0 - 8.9-57.6 Violated in 0 structures by 0.00 A. Peak 1436 from cnoeabs.peaks (8.04, 4.12, 62.50 ppm; 4.91 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 48 + HA CYS 45 OK 100 100 100 100 3.2-3.9 6585/1438=74...(13) H ALA 52 - HA CYS 45 far 0 89 0 - 8.4-9.7 H VAL 20 - HA CYS 45 far 0 87 0 - 8.8-29.7 H SER 130 - HA CYS 45 far 0 97 0 - 9.5-10.8 H ALA 16 - HA CYS 45 far 0 92 0 - 9.8-32.2 Violated in 0 structures by 0.00 A. Peak 1437 from cnoeabs.peaks (1.78, 4.12, 62.50 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 48 + HA CYS 45 OK 100 100 100 100 2.5-4.8 1.8/1438=88...(16) Violated in 1 structures by 0.00 A. Peak 1438 from cnoeabs.peaks (1.89, 4.12, 62.50 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 48 + HA CYS 45 OK 100 100 100 100 2.3-5.5 1.8/1437=82...(17) HB3 LYS 36 - HA CYS 45 lone 1 97 25 6 4.5-13.0 HB3 LEU 49 - HA CYS 45 far 0 78 0 - 6.3-8.5 HB2 GLU 40 - HA CYS 45 far 0 100 0 - 8.8-10.9 Violated in 14 structures by 0.44 A. Peak 1439 from cnoeabs.peaks (3.48, 2.94, 26.22 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HB2 CYS 45 OK 100 100 100 100 2.4-4.8 1295=100, 1445/1.8=91...(11) Violated in 0 structures by 0.00 A. Peak 1440 from cnoeabs.peaks (7.69, 2.94, 26.22 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + HB2 CYS 45 OK 100 100 100 100 2.1-2.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 1441 from cnoeabs.peaks (4.12, 2.94, 26.22 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 45 + HB2 CYS 45 OK 100 100 100 100 2.3-3.0 3.0=100 HA ILE 32 - HB2 CYS 45 far 5 95 5 - 5.8-14.4 HA LEU 48 - HB2 CYS 45 far 0 95 0 - 7.7-8.8 HA LEU 49 - HB2 CYS 45 far 0 92 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 1442 from cnoeabs.peaks (2.94, 2.94, 26.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 45 + HB2 CYS 45 OK 100 100 - 100 Peak 1443 from cnoeabs.peaks (3.13, 2.94, 26.22 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HB3 CYS 45 + HB2 CYS 45 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 76 - HB2 CYS 45 far 0 100 0 - 8.5-11.1 HB3 HIS 7 - HB2 CYS 45 far 0 78 0 - 9.0-49.8 HB2 HIS 7 - HB2 CYS 45 far 0 85 0 - 9.3-49.0 Violated in 0 structures by 0.00 A. Peak 1444 from cnoeabs.peaks (8.54, 2.94, 26.22 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HB2 CYS 45 OK 100 100 100 100 2.1-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 1445 from cnoeabs.peaks (3.48, 3.13, 26.22 ppm; 5.95 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HB3 CYS 45 OK 100 100 100 100 3.2-5.1 1295/1.8=99, 1296=71...(8) Violated in 0 structures by 0.00 A. Peak 1446 from cnoeabs.peaks (7.69, 3.13, 26.22 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + HB3 CYS 45 OK 100 100 100 100 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 1447 from cnoeabs.peaks (4.12, 3.13, 26.22 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 45 + HB3 CYS 45 OK 100 100 100 100 2.3-3.0 3.0=100 HA ILE 32 - HB3 CYS 45 far 0 95 0 - 6.0-14.1 HA LEU 49 - HB3 CYS 45 far 0 92 0 - 6.9-9.0 HA LEU 48 - HB3 CYS 45 far 0 95 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 1448 from cnoeabs.peaks (2.94, 3.13, 26.22 ppm; 3.93 A): 1 out of 10 assignments used, quality = 1.00: * HB2 CYS 45 + HB3 CYS 45 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 36 - HB3 CYS 45 poor 18 92 20 - 2.3-11.1 HG CYS 73 - HB3 CYS 45 far 5 99 5 - 5.3-9.4 HE3 LYS 26 - HB3 CYS 45 far 4 71 5 - 4.3-26.1 HE3 LYS 36 - HB3 CYS 45 lone 3 85 25 15 2.0-11.8 11127/9145=6...(3) HE2 LYS 26 - HB3 CYS 45 far 0 71 0 - 5.7-26.0 HE2 LYS 31 - HB3 CYS 45 far 0 78 0 - 6.1-19.1 HE2 LYS 24 - HB3 CYS 45 far 0 95 0 - 6.5-24.8 HE3 LYS 24 - HB3 CYS 45 far 0 85 0 - 6.6-24.0 HE3 LYS 31 - HB3 CYS 45 far 0 71 0 - 7.2-20.4 Violated in 0 structures by 0.00 A. Peak 1449 from cnoeabs.peaks (3.13, 3.13, 26.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 45 + HB3 CYS 45 OK 100 100 - 100 Peak 1450 from cnoeabs.peaks (8.54, 3.13, 26.22 ppm; 5.66 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HB3 CYS 45 OK 100 100 100 100 1.9-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 1451 from cnoeabs.peaks (8.54, 3.90, 55.49 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HA ALA 46 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1452 from cnoeabs.peaks (3.90, 3.90, 55.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 46 + HA ALA 46 OK 100 100 - 100 Peak 1453 from cnoeabs.peaks (1.34, 3.90, 55.49 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 46 + HA ALA 46 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 21 - HA ALA 46 far 0 100 0 - 8.3-26.1 Violated in 0 structures by 0.00 A. Peak 1454 from cnoeabs.peaks (8.46, 3.90, 55.49 ppm; 6.05 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 47 + HA ALA 46 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 70 + HA ALA 46 OK 67 99 75 91 5.4-8.9 6945/9174=38...(7) H VAL 132 - HA ALA 46 far 0 92 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 1455 from cnoeabs.peaks (8.30, 3.90, 55.49 ppm; 5.08 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 49 + HA ALA 46 OK 100 100 100 100 3.5-4.1 6594/3.6=60...(20) H LEU 69 + HA ALA 46 OK 70 100 75 93 4.9-7.8 4.9/9174=52...(11) H VAL 126 - HA ALA 46 far 10 96 10 - 6.1-9.0 H LEU 43 - HA ALA 46 far 0 92 0 - 6.8-7.8 H TYR 72 - HA ALA 46 far 0 85 0 - 7.6-10.6 H ALA 28 - HA ALA 46 far 0 73 0 - 7.7-20.0 Violated in 0 structures by 0.00 A. Peak 1457 from cnoeabs.peaks (1.92, 3.90, 55.49 ppm; 5.70 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 49 + HA ALA 46 OK 100 100 100 100 4.5-5.4 3.2/10898=88...(18) HB3 LEU 48 + HA ALA 46 OK 60 78 80 95 5.3-7.5 1438/4.8=54, 4.6/1455=42...(9) HG LEU 53 + HA ALA 46 OK 21 83 40 63 5.8-10.0 1575/10951=18...(11) HB3 LEU 123 - HA ALA 46 far 0 53 0 - 7.4-11.4 Violated in 0 structures by 0.00 A. Peak 1458 from cnoeabs.peaks (3.78, 1.34, 16.76 ppm; 3.26 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 43 + QB ALA 46 OK 97 100 100 97 2.1-3.3 1348=56, 1345/9176=43...(16) HB3 SER 130 + QB ALA 46 OK 93 99 100 94 1.7-3.5 10508=45, 10509/9176=39...(19) HA SER 130 + QB ALA 46 OK 80 100 85 94 3.0-5.3 11747/9176=38...(18) HA VAL 133 - QB ALA 46 far 0 93 0 - 7.3-9.8 HB2 SER 9 - QB ALA 46 far 0 76 0 - 8.3-39.6 HB3 SER 9 - QB ALA 46 far 0 73 0 - 9.1-39.8 HA ARG 90 - QB ALA 46 far 0 95 0 - 9.1-11.7 HA GLU 97 - QB ALA 46 far 0 85 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 1459 from cnoeabs.peaks (8.54, 1.34, 16.76 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 46 + QB ALA 46 OK 100 100 100 100 2.0-2.3 3.1=100 H HIS 4 - QB ALA 46 far 0 95 0 - 9.1-53.7 H HIS 5 - QB ALA 46 far 0 99 0 - 9.3-51.4 H ARG 90 - QB ALA 46 far 0 60 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 1460 from cnoeabs.peaks (3.90, 1.34, 16.76 ppm; 3.16 A): 2 out of 6 assignments used, quality = 1.00: * HA ALA 46 + QB ALA 46 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 SER 50 + QB ALA 46 OK 30 99 50 60 4.1-5.9 1.8/11718=17...(10) HA LEU 70 - QB ALA 46 far 0 93 0 - 5.3-8.0 HA ALA 41 - QB ALA 46 far 0 93 0 - 6.6-7.4 HA2 GLY 2 - QB ALA 46 far 0 100 0 - 8.2-57.6 HA3 GLY 2 - QB ALA 46 far 0 100 0 - 9.2-58.0 Violated in 0 structures by 0.00 A. Peak 1461 from cnoeabs.peaks (1.34, 1.34, 16.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 46 + QB ALA 46 OK 100 100 - 100 Peak 1462 from cnoeabs.peaks (8.46, 1.34, 16.76 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 47 + QB ALA 46 OK 100 100 100 100 2.7-3.1 6568=100, 6571/10954=31...(24) H LEU 70 - QB ALA 46 far 0 99 0 - 5.4-7.6 H VAL 132 - QB ALA 46 far 0 92 0 - 6.1-7.4 H VAL 93 - QB ALA 46 far 0 76 0 - 7.8-9.9 H ALA 34 - QB ALA 46 far 0 68 0 - 9.0-14.1 Violated in 0 structures by 0.00 A. Peak 1463 from cnoeabs.peaks (8.46, 4.34, 56.63 ppm; 3.87 A): 1 out of 10 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 100 100 2.8-2.9 2.9=100 H ALA 34 - HA LYS 24 far 3 51 5 - 4.1-23.4 H ASN 116 - HA ASN 59 far 2 48 5 - 4.9-14.5 H VAL 132 - HA GLN 134 far 0 79 0 - 6.6-6.9 H ASN 13 - HA LYS 24 far 0 61 0 - 7.8-21.7 H LEU 100 - HA LYS 24 far 0 42 0 - 8.3-30.3 H VAL 132 - HA ASP 47 far 0 92 0 - 8.9-12.0 H ALA 12 - HA LYS 24 far 0 75 0 - 9.1-19.8 H ASP 47 - HA GLN 134 far 0 91 0 - 9.4-13.0 H LEU 70 - HA LYS 24 far 0 81 0 - 9.6-22.3 Violated in 0 structures by 0.00 A. Peak 1464 from cnoeabs.peaks (4.34, 4.34, 56.63 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA ASP 47 + HA ASP 47 OK 100 100 - 100 HA GLN 134 + HA GLN 134 OK 86 86 - 100 HA LYS 24 + HA LYS 24 OK 81 81 - 100 HA ASN 59 + HA ASN 59 OK 49 49 - 100 Peak 1465 from cnoeabs.peaks (2.72, 4.34, 56.63 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 47 + HA ASP 47 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 85 - HA GLN 134 far 0 66 0 - 6.6-9.1 HB2 ASP 47 - HA GLN 134 far 0 91 0 - 8.1-14.2 Violated in 0 structures by 0.00 A. Peak 1466 from cnoeabs.peaks (2.84, 4.34, 56.63 ppm; 3.65 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 far 8 50 15 - 4.1-14.7 HB2 ASN 13 - HA LYS 24 far 5 48 10 - 4.5-24.7 HB3 ASN 85 - HA GLN 134 far 0 72 0 - 6.8-10.0 HB3 ASP 131 - HA ASP 47 far 0 76 0 - 7.1-10.7 HB3 ASP 71 - HA LYS 24 far 0 48 0 - 7.7-23.4 HB3 ASP 131 - HA GLN 134 far 0 63 0 - 8.1-8.6 HB2 ASN 116 - HA LYS 24 far 0 81 0 - 9.3-33.6 HB3 ASP 47 - HA GLN 134 far 0 91 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 1467 from cnoeabs.peaks (8.04, 4.34, 56.63 ppm; 3.49 A): 1 out of 10 assignments used, quality = 1.00: * H LEU 48 + HA ASP 47 OK 100 100 100 100 3.5-3.6 3.6=94, 6579/2.9=53...(13) H VAL 20 - HA LYS 24 far 7 67 10 - 4.8-12.3 H ALA 16 - HA LYS 24 far 0 72 0 - 5.3-19.6 H ALA 52 - HA LYS 24 far 0 69 0 - 5.4-29.6 H SER 130 - HA ASP 47 far 0 97 0 - 5.9-9.4 H ALA 52 - HA ASP 47 far 0 89 0 - 6.3-6.9 H VAL 20 - HA ASP 47 far 0 87 0 - 8.2-35.2 H SER 130 - HA GLN 134 far 0 86 0 - 8.3-9.3 H LEU 48 - HA LYS 24 far 0 84 0 - 9.5-29.5 H ALA 16 - HA ASP 47 far 0 92 0 - 9.8-37.8 Violated in 18 structures by 0.04 A. Peak 1468 from cnoeabs.peaks (8.66, 4.34, 56.63 ppm; 4.83 A): 2 out of 10 assignments used, quality = 1.00: * H SER 50 + HA ASP 47 OK 100 100 100 100 3.1-3.9 6590/1467=62...(17) H SER 60 + HA ASN 59 OK 51 51 100 100 3.4-3.5 3.6=100 H LYS 39 - HA GLN 134 far 3 54 5 - 6.2-12.0 H LYS 39 - HA LYS 24 far 0 48 0 - 7.1-30.5 H HIS 8 - HA ASP 47 far 0 100 0 - 7.2-53.4 H HIS 67 - HA LYS 24 far 0 84 0 - 7.8-23.6 H HIS 67 - HA ASN 59 far 0 52 0 - 7.9-9.2 H HIS 8 - HA LYS 24 far 0 84 0 - 8.9-30.3 H SER 50 - HA LYS 24 far 0 84 0 - 8.9-28.7 H SER 60 - HA LYS 24 far 0 81 0 - 9.6-29.3 Violated in 0 structures by 0.00 A. Peak 1469 from cnoeabs.peaks (3.84, 4.34, 56.63 ppm; 4.67 A): 4 out of 17 assignments used, quality = 1.00: * HB2 SER 50 + HA ASP 47 OK 99 100 100 99 2.6-4.2 1.8/1602=76, 1596=67...(12) HA LEU 62 + HA ASN 59 OK 50 50 100 100 4.8-5.4 2.9/6780=65, 4.1/9388=63...(18) HB2 SER 130 + HA ASP 47 OK 35 90 60 65 3.8-7.9 1596=20, 11718/10901=15...(9) HA GLU 40 + HA GLN 134 OK 32 90 50 72 4.8-9.5 9055/11899=43...(7) HA GLU 40 - HA LYS 24 far 4 83 5 - 5.2-32.6 HD2 PRO 81 - HA GLN 134 far 4 81 5 - 5.6-9.2 HB3 SER 33 - HA LYS 24 far 4 74 5 - 2.5-22.2 HD3 PRO 58 - HA ASN 59 far 0 40 0 - 6.9-6.9 HA VAL 118 - HA LYS 24 far 0 59 0 - 7.5-33.0 HA LEU 123 - HA ASP 47 far 0 97 0 - 7.7-9.9 HB2 SER 130 - HA GLN 134 far 0 78 0 - 7.8-9.2 HD2 PRO 117 - HA ASN 59 far 0 35 0 - 8.4-17.8 HD3 PRO 58 - HA LYS 24 far 0 67 0 - 8.4-30.3 HA VAL 118 - HA ASN 59 far 0 35 0 - 8.5-15.6 HA LEU 123 - HA ASN 59 far 0 49 0 - 9.1-13.2 HD2 PRO 117 - HA LYS 24 far 0 59 0 - 9.4-37.7 HA GLU 40 - HA ASP 47 far 0 100 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 1470 from cnoeabs.peaks (3.89, 4.34, 56.63 ppm; 5.94 A): 4 out of 18 assignments used, quality = 1.00: * HB3 SER 50 + HA ASP 47 OK 100 100 100 100 2.2-4.1 1602=100, 1.8/1596=76...(12) HA ALA 46 + HA ASP 47 OK 99 99 100 100 4.7-4.8 ~6568=80, ~1462=79...(18) HB3 SER 60 + HA ASN 59 OK 22 38 100 58 5.5-6.6 4.6/6749=47, 1912/6780=6...(5) HB2 SER 60 + HA ASN 59 OK 22 38 100 58 5.4-6.6 4.6/6749=47, 1912/6780=6...(5) HA ALA 41 - HA LYS 24 far 6 61 10 - 4.7-29.5 HA2 GLY 2 - HA ASP 47 far 5 100 5 - 5.9-71.4 HA2 GLY 2 - HA GLN 134 far 4 90 5 - 7.4-75.8 HA2 GLY 114 - HA ASN 59 lone 4 51 50 14 3.7-12.4 10162/1881=5...(5) HB2 SER 60 - HA LYS 24 far 3 63 5 - 7.0-28.9 HB2 SER 33 - HA LYS 24 far 3 57 5 - 3.2-21.4 HA3 GLY 2 - HA ASP 47 far 0 100 0 - 7.5-71.8 HB3 SER 60 - HA LYS 24 far 0 63 0 - 8.0-27.3 HB2 SER 94 - HA LYS 24 far 0 74 0 - 8.3-34.6 HD2 PRO 117 - HA ASN 59 far 0 25 0 - 8.4-17.8 HA3 GLY 2 - HA GLN 134 far 0 90 0 - 8.7-76.4 HA ALA 41 - HA GLN 134 far 0 68 0 - 9.1-12.1 HA ALA 41 - HA ASP 47 far 0 81 0 - 9.4-10.3 HD2 PRO 117 - HA LYS 24 far 0 44 0 - 9.4-37.7 Violated in 0 structures by 0.00 A. Peak 1471 from cnoeabs.peaks (4.05, 2.72, 39.77 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.99: * HA GLU 44 + HB2 ASP 47 OK 99 100 100 99 2.8-3.9 1400/1.8=77...(8) HB THR 65 - HB2 ASP 47 far 0 89 0 - 8.7-12.0 HA ILE 37 - HB2 ASP 47 far 0 63 0 - 9.4-14.1 Violated in 2 structures by 0.00 A. Peak 1472 from cnoeabs.peaks (8.46, 2.72, 39.77 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.4-3.4 6570=100, 6571/1.8=80...(7) H VAL 132 - HB2 ASP 47 far 0 92 0 - 8.5-13.5 Violated in 0 structures by 0.00 A. Peak 1473 from cnoeabs.peaks (4.34, 2.72, 39.77 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 134 - HB2 ASP 47 far 0 97 0 - 8.1-14.2 HA LEU 69 - HB2 ASP 47 far 0 96 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 1474 from cnoeabs.peaks (2.72, 2.72, 39.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB2 ASP 47 OK 100 100 - 100 Peak 1475 from cnoeabs.peaks (2.84, 2.72, 39.77 ppm; 2.73 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 131 - HB2 ASP 47 far 0 76 0 - 7.3-12.9 Violated in 0 structures by 0.00 A. Peak 1476 from cnoeabs.peaks (8.04, 2.72, 39.77 ppm; 4.11 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 48 + HB2 ASP 47 OK 100 100 100 100 2.3-4.1 6581=100, 6582/1.8=83...(9) H SER 130 - HB2 ASP 47 far 0 97 0 - 6.4-11.0 H VAL 20 - HB2 ASP 47 far 0 87 0 - 6.8-35.8 H ALA 52 - HB2 ASP 47 far 0 89 0 - 7.4-8.9 H ALA 16 - HB2 ASP 47 far 0 92 0 - 9.8-38.3 Violated in 0 structures by 0.00 A. Peak 1477 from cnoeabs.peaks (4.05, 2.84, 39.77 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 44 + HB3 ASP 47 OK 100 100 100 100 2.3-3.3 1400=100, 1471/1.8=75...(8) HB THR 65 - HB3 ASP 47 far 0 89 0 - 8.7-12.6 HA ILE 37 - HB3 ASP 47 far 0 63 0 - 9.0-14.0 Violated in 0 structures by 0.00 A. Peak 1478 from cnoeabs.peaks (8.46, 2.84, 39.77 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.1-2.7 6571=100, 6570/1.8=77...(7) H VAL 132 - HB3 ASP 47 far 0 92 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 1479 from cnoeabs.peaks (4.34, 2.84, 39.77 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLN 134 - HB3 ASP 47 far 0 97 0 - 9.4-13.2 HA LEU 69 - HB3 ASP 47 far 0 96 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 1480 from cnoeabs.peaks (2.72, 2.84, 39.77 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB3 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1481 from cnoeabs.peaks (2.84, 2.84, 39.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + HB3 ASP 47 OK 100 100 - 100 Peak 1482 from cnoeabs.peaks (8.04, 2.84, 39.77 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 48 + HB3 ASP 47 OK 100 100 100 100 2.6-4.0 6582=100, 6581/1.8=85...(9) H ALA 52 - HB3 ASP 47 far 0 89 0 - 7.7-8.9 H SER 130 - HB3 ASP 47 far 0 97 0 - 7.8-10.7 H VAL 20 - HB3 ASP 47 far 0 87 0 - 8.6-35.0 Violated in 0 structures by 0.00 A. Peak 1483 from cnoeabs.peaks (8.04, 4.11, 57.99 ppm; 4.09 A): 4 out of 7 assignments used, quality = 1.00: * H LEU 48 + HA LEU 48 OK 100 100 100 100 2.8-2.9 2.9=100 H ALA 52 + HA LEU 48 OK 84 89 100 95 4.0-5.0 4.6/1492=42, 6644=30...(17) H LEU 48 + HA LEU 49 OK 64 66 100 97 5.2-5.5 6589/2.9=70, 6590/3.6=44...(18) H ALA 52 + HA LEU 49 OK 52 53 100 99 3.0-3.4 6645/3.6=32, 2.9/1631=32...(33) H VAL 20 - HA LEU 48 far 4 87 5 - 3.8-33.2 H VAL 20 - HA LEU 49 far 0 51 0 - 7.3-30.9 H ALA 16 - HA LEU 48 far 0 92 0 - 8.3-34.9 Violated in 0 structures by 0.00 A. Peak 1484 from cnoeabs.peaks (4.11, 4.11, 57.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LEU 48 + HA LEU 48 OK 100 100 - 100 HA LEU 98 + HA LEU 98 OK 98 98 - 100 HA LEU 49 + HA LEU 49 OK 66 66 - 100 HA GLN 104 + HA GLN 104 OK 39 39 - 100 Peak 1485 from cnoeabs.peaks (1.78, 4.11, 57.99 ppm; 3.77 A): 4 out of 15 assignments used, quality = 1.00: * HB2 LEU 48 + HA LEU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 98 + HA LEU 98 OK 98 98 100 100 2.5-3.0 3.0=100 HB3 LEU 103 + HA GLN 104 OK 47 48 100 97 4.2-5.2 7488/3.0=46, ~7491=22...(24) HB2 LEU 48 + HA LEU 49 OK 39 66 60 99 3.9-5.5 6598/2.9=51, ~6600=21...(39) HG LEU 100 - HA GLN 104 far 8 54 15 - 4.4-9.2 HB2 ARG 23 - HA LEU 98 far 3 64 5 - 4.7-35.4 HB3 LEU 122 - HA LEU 98 far 0 91 0 - 6.5-10.4 HG LEU 100 - HA LEU 49 far 0 66 0 - 6.8-14.3 HB3 LEU 103 - HA LEU 98 far 0 92 0 - 7.1-8.5 HB2 ARG 23 - HA GLN 104 far 0 30 0 - 7.7-33.5 HG LEU 100 - HA LEU 98 far 0 98 0 - 7.7-9.1 HB3 LEU 122 - HA GLN 104 far 0 47 0 - 7.7-11.3 HB2 ARG 23 - HA LEU 48 far 0 68 0 - 8.5-29.5 HB3 LEU 122 - HA LEU 49 far 0 58 0 - 9.1-12.6 HB2 ARG 23 - HA LEU 49 far 0 38 0 - 9.8-25.3 Violated in 0 structures by 0.00 A. Peak 1486 from cnoeabs.peaks (1.89, 4.11, 57.99 ppm; 3.70 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LEU 48 + HA LEU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 48 + HA LEU 49 OK 55 66 85 98 4.1-5.4 ~6598=32, 6599/2.9=27...(39) HB3 LEU 49 + HA LEU 49 OK 45 45 100 100 2.3-2.6 3.0=100 HB3 LEU 123 - HA LEU 49 far 0 49 0 - 6.3-10.1 HB3 LEU 49 - HA LEU 48 far 0 78 0 - 6.6-6.6 HB2 PRO 113 - HA GLN 104 far 0 44 0 - 7.5-17.1 HB3 LEU 119 - HA LEU 49 far 0 45 0 - 8.5-15.5 HB3 LYS 36 - HA LEU 48 far 0 97 0 - 9.4-18.6 HB3 LEU 123 - HA LEU 48 far 0 85 0 - 9.9-13.6 HB2 PRO 113 - HA LEU 49 far 0 54 0 - 9.9-19.0 Violated in 0 structures by 0.00 A. Peak 1487 from cnoeabs.peaks (1.71, 4.11, 57.99 ppm; 3.95 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 48 + HA LEU 48 OK 100 100 100 100 3.1-4.2 3.7=100 HG LEU 98 + HA LEU 98 OK 98 98 100 100 2.9-4.3 3.7=100 HG LEU 48 + HA LEU 49 OK 36 66 55 99 2.8-6.5 6600/2.9=46, ~6598=26...(33) HB2 LEU 70 - HA LEU 98 far 0 98 0 - 7.3-10.8 HB3 LEU 70 - HA GLN 104 far 0 54 0 - 7.8-13.5 HB3 LEU 70 - HA LEU 98 far 0 98 0 - 8.4-10.2 HB2 LEU 70 - HA GLN 104 far 0 54 0 - 8.4-13.1 HB2 LEU 43 - HA LEU 48 far 0 93 0 - 9.1-11.0 HB2 LEU 70 - HA LEU 49 far 0 66 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 1488 from cnoeabs.peaks (0.91, 4.11, 57.99 ppm; 3.51 A): 8 out of 34 assignments used, quality = 1.00: * QD2 LEU 48 + HA LEU 48 OK 100 100 100 100 2.7-3.9 3.8=78, 1527/3.6=29...(26) QD1 LEU 48 + HA LEU 48 OK 91 92 100 99 1.9-3.6 4.0=65, 1528/2.9=33...(31) QD1 LEU 49 + HA LEU 49 OK 65 66 100 99 3.3-3.8 1581=73, 2.1/1573=36...(22) QG2 VAL 63 + HA GLN 104 OK 48 54 90 98 1.8-5.3 11521/3.9=41...(21) QD2 LEU 48 + HA LEU 49 OK 39 66 60 99 2.0-5.5 1527/2.9=34, 9205/3.7=32...(43) QD1 LEU 48 + HA LEU 49 OK 30 56 55 98 2.6-5.8 ~6600=22, 1535/2.9=22...(44) QD2 LEU 123 + HA LEU 49 OK 28 41 80 85 2.9-6.6 3948/3.7=14...(33) QD1 LEU 123 + HA LEU 49 OK 21 50 50 83 3.1-7.5 11874/4.8=17, 1581=14...(27) QD1 LEU 62 - HA GLN 104 far 8 53 15 - 4.4-10.1 QD1 LEU 62 - HA LEU 49 far 7 65 10 - 4.2-8.7 QG1 VAL 20 - HA LEU 48 far 5 100 5 - 1.9-25.9 QG1 VAL 118 - HA LEU 98 far 5 95 5 - 4.5-7.9 QG2 VAL 112 - HA GLN 104 far 5 45 10 - 4.6-15.8 QG2 VAL 20 - HA LEU 48 far 4 89 5 - 3.8-26.0 QG1 VAL 20 - HA LEU 49 far 3 66 5 - 3.8-26.0 QG2 VAL 20 - HA LEU 49 far 3 53 5 - 4.4-23.7 QG1 VAL 118 - HA GLN 104 far 3 51 5 - 4.5-10.0 QD1 LEU 49 - HA LEU 48 far 0 100 0 - 5.6-6.1 QD2 LEU 123 - HA LEU 48 far 0 73 0 - 6.5-9.7 QD1 LEU 123 - HA LEU 48 far 0 85 0 - 6.6-9.4 QG2 VAL 20 - HA LEU 98 far 0 84 0 - 6.7-32.6 QD1 LEU 22 - HA LEU 48 far 0 93 0 - 7.0-27.6 QG1 VAL 118 - HA LEU 49 far 0 62 0 - 7.2-13.6 QG2 VAL 63 - HA LEU 49 far 0 66 0 - 7.6-11.2 QG2 ILE 37 - HA LEU 49 far 0 36 0 - 8.0-15.8 QD1 LEU 62 - HA LEU 48 far 0 100 0 - 8.1-12.5 QD1 LEU 22 - HA GLN 104 far 0 46 0 - 8.7-30.2 QG1 VAL 20 - HA LEU 98 far 0 98 0 - 8.8-35.2 QD2 LEU 123 - HA GLN 104 far 0 33 0 - 9.0-13.4 QG2 VAL 63 - HA LEU 98 far 0 98 0 - 9.1-11.0 QG2 ILE 37 - HA LEU 48 far 0 65 0 - 9.3-15.7 QD1 LEU 62 - HA LEU 98 far 0 97 0 - 9.8-13.1 QG2 ILE 37 - HA GLN 104 far 0 29 0 - 9.8-20.0 QG2 VAL 20 - HA GLN 104 far 0 43 0 - 9.9-30.4 Violated in 0 structures by 0.00 A. Peak 1489 from cnoeabs.peaks (0.92, 4.11, 57.99 ppm; 3.42 A): 7 out of 32 assignments used, quality = 1.00: * QD1 LEU 48 + HA LEU 48 OK 99 100 100 99 1.9-3.6 4.0=61, 1528/2.9=36...(31) QD2 LEU 48 + HA LEU 48 OK 91 92 100 99 2.7-3.9 3.8=72, ~6586=27...(26) QD1 LEU 49 + HA LEU 49 OK 59 60 100 98 3.3-3.8 1581=69, 2.1/1573=35...(21) QG2 VAL 63 + HA GLN 104 OK 42 47 90 98 1.8-5.3 11521/3.9=38...(21) QD1 LEU 48 + HA LEU 49 OK 36 66 55 98 2.6-5.8 1535/2.9=24, ~6600=21...(45) QD2 LEU 48 + HA LEU 49 OK 30 56 55 98 2.0-5.5 1527/2.9=28, 9205/3.7=27...(43) QD1 LEU 123 + HA LEU 49 OK 27 66 50 84 3.1-7.5 11874/4.8=21, 1581=13...(26) QD1 LEU 62 - HA GLN 104 far 5 50 10 - 4.4-10.1 QG1 VAL 20 - HA LEU 48 far 5 90 5 - 1.9-25.9 QG1 VAL 118 - HA LEU 98 far 3 69 5 - 4.5-7.9 QD1 LEU 62 - HA LEU 49 far 3 61 5 - 4.2-8.7 QG2 VAL 112 - HA GLN 104 far 3 54 5 - 4.6-15.8 QG1 VAL 20 - HA LEU 49 far 3 54 5 - 3.8-26.0 QG1 VAL 118 - HA GLN 104 far 2 33 5 - 4.5-10.0 QG1 VAL 57 - HA LEU 49 far 0 40 0 - 5.2-7.8 QD1 LEU 49 - HA LEU 48 far 0 97 0 - 5.6-6.1 QD1 LEU 119 - HA LEU 98 far 0 83 0 - 6.6-14.0 QD1 LEU 123 - HA LEU 48 far 0 100 0 - 6.6-9.4 QD1 LEU 22 - HA LEU 48 far 0 60 0 - 7.0-27.6 QD1 LEU 119 - HA LEU 49 far 0 51 0 - 7.1-13.1 QG1 VAL 118 - HA LEU 49 far 0 41 0 - 7.2-13.6 QG2 VAL 63 - HA LEU 49 far 0 58 0 - 7.6-11.2 QG1 VAL 57 - HA LEU 48 far 0 71 0 - 7.7-9.7 QD1 LEU 119 - HA GLN 104 far 0 41 0 - 7.9-11.1 QG2 ILE 37 - HA LEU 49 far 0 59 0 - 8.0-15.8 QD1 LEU 62 - HA LEU 48 far 0 97 0 - 8.1-12.5 QD1 LEU 22 - HA GLN 104 far 0 26 0 - 8.7-30.2 QG1 VAL 20 - HA LEU 98 far 0 86 0 - 8.8-35.2 QG2 VAL 63 - HA LEU 98 far 0 91 0 - 9.1-11.0 QG2 ILE 37 - HA LEU 48 far 0 96 0 - 9.3-15.7 QD1 LEU 62 - HA LEU 98 far 0 94 0 - 9.8-13.1 QG2 ILE 37 - HA GLN 104 far 0 48 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 1490 from cnoeabs.peaks (8.30, 4.11, 57.99 ppm; 4.33 A): 3 out of 22 assignments used, quality = 1.00: * H LEU 49 + HA LEU 48 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 99 + HA LEU 98 OK 93 93 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 66 66 100 100 2.7-2.9 2.9=100 H ALA 28 - HA LEU 48 far 7 73 10 - 4.6-24.4 H ALA 28 - HA LEU 49 far 2 41 5 - 5.3-22.8 H ALA 28 - HA GLN 104 far 2 33 5 - 4.9-25.0 H ALA 28 - HA LEU 98 far 0 69 0 - 6.1-26.0 H ALA 21 - HA LEU 48 far 0 100 0 - 6.2-31.9 H ALA 110 - HA GLN 104 far 0 54 0 - 6.3-13.0 H GLY 17 - HA LEU 48 far 0 89 0 - 6.4-33.5 H LEU 96 - HA LEU 98 far 0 59 0 - 6.9-7.4 H GLY 111 - HA GLN 104 far 0 54 0 - 7.1-13.1 H LEU 69 - HA LEU 49 far 0 66 0 - 7.1-10.7 H GLY 17 - HA LEU 49 far 0 53 0 - 7.9-34.6 H ALA 110 - HA LEU 98 far 0 98 0 - 8.2-21.7 H VAL 126 - HA LEU 49 far 0 59 0 - 9.1-11.4 H LEU 69 - HA LEU 48 far 0 100 0 - 9.3-13.2 H ALA 21 - HA LEU 49 far 0 65 0 - 9.4-29.1 H LEU 69 - HA GLN 104 far 0 54 0 - 9.5-15.0 H ALA 21 - HA LEU 98 far 0 97 0 - 9.7-41.2 H SER 99 - HA GLN 104 far 0 49 0 - 9.9-11.3 H LEU 43 - HA LEU 48 far 0 92 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1491 from cnoeabs.peaks (7.98, 4.11, 57.99 ppm; 4.49 A): 2 out of 8 assignments used, quality = 1.00: * H SER 51 + HA LEU 48 OK 100 100 100 100 3.3-3.9 1616/1492=65...(21) H SER 51 + HA LEU 49 OK 65 66 100 98 3.8-4.5 6610/2.9=67, 3.1/6644=26...(19) H THR 18 - HA LEU 48 far 5 97 5 - 5.7-34.0 H ASP 64 - HA GLN 104 far 5 32 15 - 5.3-10.4 H ASP 64 - HA LEU 49 far 0 40 0 - 7.4-10.9 H SER 94 - HA LEU 98 far 0 96 0 - 8.1-9.3 H VAL 57 - HA LEU 49 far 0 43 0 - 8.2-10.6 H THR 18 - HA LEU 49 far 0 60 0 - 8.8-34.0 Violated in 0 structures by 0.00 A. Peak 1492 from cnoeabs.peaks (3.94, 4.11, 57.99 ppm; 3.99 A): 1 out of 25 assignments used, quality = 0.99: * HB2 SER 51 + HA LEU 48 OK 99 100 100 99 3.2-4.8 1615=92, 1.8/1621=33...(11) HB2 SER 106 - HA GLN 104 poor 12 33 35 - 4.5-9.2 HA LEU 100 - HA GLN 104 poor 8 40 20 - 4.8-6.9 HB3 SER 107 - HA GLN 104 far 6 41 15 - 3.1-10.9 HA THR 65 - HA LEU 49 far 5 34 15 - 5.1-8.3 HB2 SER 107 - HA GLN 104 far 4 39 10 - 4.6-10.6 HB2 SER 51 - HA LEU 49 far 0 66 0 - 5.5-6.5 HA2 GLY 17 - HA LEU 48 far 0 85 0 - 5.7-31.4 HD3 PRO 113 - HA GLN 104 far 0 53 0 - 5.7-17.4 HB3 SER 107 - HA LEU 98 far 0 83 0 - 6.4-16.2 HA LEU 100 - HA LEU 98 far 0 81 0 - 6.6-7.1 HB3 SER 94 - HA LEU 98 far 0 54 0 - 7.1-9.1 HA2 GLY 111 - HA GLN 104 far 0 49 0 - 7.1-14.9 HB2 SER 106 - HA LEU 98 far 0 69 0 - 7.2-14.6 HA2 GLY 17 - HA LEU 49 far 0 50 0 - 7.3-33.9 HA THR 65 - HA LEU 48 far 0 63 0 - 7.5-11.3 HA3 GLY 17 - HA LEU 48 far 0 85 0 - 7.5-31.1 HA GLN 127 - HA LEU 49 far 0 36 0 - 7.6-9.9 HA3 GLY 111 - HA GLN 104 far 0 54 0 - 7.7-15.3 HB2 SER 107 - HA LEU 98 far 0 79 0 - 7.8-16.1 HA GLN 127 - HA LEU 48 far 0 65 0 - 8.7-10.6 HD3 PRO 117 - HA GLN 104 far 0 50 0 - 8.7-17.5 HA3 GLY 17 - HA LEU 49 far 0 50 0 - 8.7-33.3 HA THR 65 - HA GLN 104 far 0 28 0 - 9.0-14.8 HA LEU 100 - HA LEU 49 far 0 50 0 - 9.4-14.7 Violated in 16 structures by 0.28 A. Peak 1493 from cnoeabs.peaks (3.98, 4.11, 57.99 ppm; 3.72 A): 2 out of 32 assignments used, quality = 0.95: * HB3 SER 51 + HA LEU 48 OK 91 100 100 91 3.3-3.8 1.8/1615=64, 1621=37...(13) HA SER 50 + HA LEU 49 OK 51 56 100 92 4.7-4.9 4.8=45, 9218/3.9=17...(21) HB3 SER 106 - HA GLN 104 poor 16 54 30 - 4.7-9.0 HB2 SER 106 - HA GLN 104 poor 11 45 25 - 4.5-9.2 HB3 SER 107 - HA GLN 104 far 6 37 15 - 3.1-10.9 HA VAL 20 - HA LEU 48 far 5 98 5 - 4.7-32.3 HA LEU 100 - HA GLN 104 far 4 39 10 - 4.8-6.9 HA THR 65 - HA LEU 49 far 3 60 5 - 5.1-8.3 HB3 SER 51 - HA LEU 49 far 0 66 0 - 5.3-6.1 HB3 SER 99 - HA LEU 98 far 0 69 0 - 5.6-6.6 HA2 GLY 17 - HA LEU 48 far 0 83 0 - 5.7-31.4 HA SER 60 - HA GLN 104 far 0 28 0 - 6.2-9.1 HA SER 50 - HA LEU 48 far 0 92 0 - 6.4-6.8 HB3 SER 107 - HA LEU 98 far 0 76 0 - 6.4-16.2 HA LEU 100 - HA LEU 98 far 0 79 0 - 6.6-7.1 HB3 SER 94 - HA LEU 98 far 0 95 0 - 7.1-9.1 HB2 SER 106 - HA LEU 98 far 0 88 0 - 7.2-14.6 HA2 GLY 17 - HA LEU 49 far 0 48 0 - 7.3-33.9 HA VAL 20 - HA LEU 49 far 0 62 0 - 7.5-29.1 HA THR 65 - HA LEU 48 far 0 97 0 - 7.5-11.3 HA3 GLY 17 - HA LEU 48 far 0 83 0 - 7.5-31.1 HA GLN 127 - HA LEU 49 far 0 59 0 - 7.6-9.9 HB3 SER 106 - HA LEU 98 far 0 98 0 - 7.8-15.2 HA GLN 127 - HA LEU 48 far 0 96 0 - 8.7-10.6 HD3 PRO 117 - HA GLN 104 far 0 26 0 - 8.7-17.5 HA3 GLY 17 - HA LEU 49 far 0 48 0 - 8.7-33.3 HB3 SER 99 - HA GLN 104 far 0 33 0 - 8.8-11.1 HA VAL 20 - HA LEU 98 far 0 95 0 - 8.9-39.9 HA THR 65 - HA GLN 104 far 0 49 0 - 9.0-14.8 HA LEU 100 - HA LEU 49 far 0 48 0 - 9.4-14.7 HA GLN 68 - HA GLN 104 far 0 48 0 - 9.6-14.7 HA GLN 68 - HA LEU 49 far 0 59 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 1494 from cnoeabs.peaks (4.12, 1.78, 41.65 ppm; 4.11 A): 5 out of 13 assignments used, quality = 1.00: * HA CYS 45 + HB2 LEU 48 OK 100 100 100 100 2.5-4.8 1437=84, 1438/1.8=72...(14) HA LEU 48 + HB2 LEU 48 OK 95 95 100 100 2.2-3.0 3.0=100 HA LEU 49 + HB2 LEU 48 OK 91 92 100 99 3.9-5.5 2.9/6598=60...(39) HA LEU 98 + HB3 LEU 98 OK 85 85 100 100 2.5-3.0 3.0=100 HA GLN 101 + HB3 LEU 103 OK 36 53 85 80 4.8-6.1 3282/4.6=24...(15) HA LEU 98 - HB3 LEU 122 far 0 49 0 - 6.5-10.4 HA GLN 101 - HB3 LEU 122 far 0 45 0 - 6.6-8.3 HA LEU 98 - HB3 LEU 103 far 0 58 0 - 7.1-8.5 HA ALA 52 - HB2 LEU 48 far 0 97 0 - 7.2-9.1 HA GLN 101 - HB3 LEU 98 far 0 79 0 - 7.7-8.2 HA ILE 32 - HB2 LEU 48 far 0 95 0 - 7.8-20.3 HA LEU 49 - HB3 LEU 122 far 0 51 0 - 9.1-12.6 HA3 GLY 114 - HB3 LEU 103 far 0 70 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 1495 from cnoeabs.peaks (8.04, 1.78, 41.65 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.0-3.6 3.9=100 H CYS 125 + HB3 LEU 122 OK 38 61 65 98 5.2-5.8 7783/11653=33...(23) H ALA 52 - HB2 LEU 48 far 13 89 15 - 5.4-7.0 H VAL 20 - HB2 LEU 48 far 0 87 0 - 5.9-31.7 H CYS 125 - HB3 LEU 98 far 0 97 0 - 8.1-11.7 H SER 130 - HB3 LEU 122 far 0 56 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 1496 from cnoeabs.peaks (4.11, 1.78, 41.65 ppm; 4.15 A): 6 out of 15 assignments used, quality = 1.00: * HA LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 49 + HB2 LEU 48 OK 100 100 100 100 3.9-5.5 2.9/6598=61...(39) HA LEU 98 + HB3 LEU 98 OK 97 97 100 100 2.5-3.0 3.0=100 HA CYS 45 + HB2 LEU 48 OK 94 95 100 100 2.5-4.8 1437=80, 1438/1.8=67...(15) HA GLN 104 + HB3 LEU 103 OK 51 51 100 99 4.2-5.2 3.0/7488=53, 11431=33...(25) HA GLN 101 + HB3 LEU 103 OK 50 69 85 85 4.8-6.1 3282/4.6=31...(15) HA LEU 98 - HB3 LEU 122 far 0 60 0 - 6.5-10.4 HA GLN 101 - HB3 LEU 122 far 0 59 0 - 6.6-8.3 HA LEU 98 - HB3 LEU 103 far 0 70 0 - 7.1-8.5 HA ALA 52 - HB2 LEU 48 far 0 76 0 - 7.2-9.1 HA GLN 101 - HB3 LEU 98 far 0 96 0 - 7.7-8.2 HA GLN 104 - HB3 LEU 122 far 0 44 0 - 7.7-11.3 HA ILE 32 - HB2 LEU 48 far 0 100 0 - 7.8-20.3 HA LEU 49 - HB3 LEU 122 far 0 61 0 - 9.1-12.6 HA3 GLY 114 - HB3 LEU 103 far 0 59 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 1497 from cnoeabs.peaks (1.78, 1.78, 41.65 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LEU 48 + HB2 LEU 48 OK 100 100 - 100 HB3 LEU 98 + HB3 LEU 98 OK 97 97 - 100 HB3 LEU 103 + HB3 LEU 103 OK 63 63 - 100 HB3 LEU 122 + HB3 LEU 122 OK 53 53 - 100 Peak 1498 from cnoeabs.peaks (1.89, 1.78, 41.65 ppm; 3.41 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 48 + HB2 LEU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 49 - HB2 LEU 48 far 0 78 0 - 5.1-7.2 HB3 LEU 123 - HB3 LEU 122 far 0 45 0 - 5.8-7.2 HB3 LYS 36 - HB2 LEU 48 far 0 97 0 - 6.8-16.3 HB3 LEU 49 - HB3 LEU 122 far 0 41 0 - 6.8-10.2 HB2 PRO 113 - HB3 LEU 103 far 0 58 0 - 7.1-15.0 HB3 LEU 119 - HB3 LEU 122 far 0 41 0 - 7.4-9.2 HB3 LEU 119 - HB3 LEU 103 far 0 48 0 - 7.9-10.9 HB3 LEU 119 - HB3 LEU 98 far 0 73 0 - 9.0-15.3 HB3 LEU 123 - HB3 LEU 103 far 0 53 0 - 9.1-12.1 HB3 LEU 49 - HB3 LEU 103 far 0 48 0 - 9.2-13.9 HB2 PRO 113 - HB3 LEU 122 far 0 49 0 - 9.4-17.4 Violated in 0 structures by 0.00 A. Peak 1499 from cnoeabs.peaks (1.71, 1.78, 41.65 ppm; 4.35 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.3-2.9 3.0=100 HG LEU 98 + HB3 LEU 98 OK 97 97 100 100 2.2-3.0 3.0=100 HB2 LEU 70 - HB3 LEU 122 poor 12 61 20 - 3.8-8.4 HB3 LEU 70 - HB3 LEU 122 far 9 61 15 - 4.3-8.6 HG LEU 98 - HB3 LEU 122 far 0 60 0 - 6.2-11.4 HB2 LEU 70 - HB3 LEU 103 far 0 70 0 - 8.1-10.4 HB2 LEU 70 - HB3 LEU 98 far 0 97 0 - 8.3-10.9 HB3 LEU 70 - HB3 LEU 103 far 0 71 0 - 8.3-10.3 HB3 LEU 70 - HB3 LEU 98 far 0 97 0 - 8.4-11.0 HB2 LEU 43 - HB2 LEU 48 far 0 93 0 - 8.8-11.5 HG LEU 98 - HB3 LEU 103 far 0 70 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1500 from cnoeabs.peaks (0.91, 1.78, 41.65 ppm; 3.98 A): 7 out of 33 assignments used, quality = 1.00: * QD2 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 48 + HB2 LEU 48 OK 92 92 100 100 2.0-3.2 3.1=100 QG2 VAL 63 + HB3 LEU 103 OK 70 70 100 99 2.9-4.5 11822/3.1=33...(29) QG1 VAL 118 + HB3 LEU 103 OK 63 66 95 100 1.9-6.5 10261/1.8=44, ~10069=35...(34) QG1 VAL 118 + HB3 LEU 122 OK 56 57 100 98 1.8-4.7 390/1.8=35, 11612/3.1=24...(32) QD1 LEU 62 + HB3 LEU 103 OK 40 69 75 77 3.9-8.0 11722/3.1=20, ~11823=20...(18) QD1 LEU 49 + HB2 LEU 48 OK 34 100 35 98 5.0-6.8 4.7/6598=37...(41) QD1 LEU 62 - HB3 LEU 122 poor 18 60 30 - 4.4-7.8 QD2 LEU 123 - HB3 LEU 122 poor 15 37 40 - 3.8-6.7 QG1 VAL 20 - HB2 LEU 48 far 5 100 5 - 3.2-24.6 QG1 VAL 118 - HB3 LEU 98 far 5 94 5 - 2.3-8.4 QG2 VAL 20 - HB2 LEU 48 far 4 89 5 - 3.2-24.3 QD1 LEU 49 - HB3 LEU 122 far 3 60 5 - 5.4-7.9 QG2 VAL 63 - HB3 LEU 122 far 0 61 0 - 5.8-8.4 QD2 LEU 123 - HB2 LEU 48 far 0 73 0 - 5.9-10.9 QD1 LEU 123 - HB3 LEU 122 far 0 45 0 - 6.4-7.5 QD1 LEU 123 - HB2 LEU 48 far 0 85 0 - 6.4-10.6 QG2 ILE 37 - HB2 LEU 48 far 0 65 0 - 6.9-13.8 QD2 LEU 123 - HB3 LEU 103 far 0 44 0 - 7.0-10.2 QG2 VAL 112 - HB3 LEU 103 far 0 59 0 - 7.2-15.3 QD1 LEU 62 - HB2 LEU 48 far 0 100 0 - 7.4-12.5 QG2 ILE 37 - HB3 LEU 122 far 0 33 0 - 7.4-16.1 QG2 VAL 20 - HB3 LEU 98 far 0 83 0 - 7.9-33.2 QD2 LEU 48 - HB3 LEU 122 far 0 61 0 - 8.1-13.3 QD1 LEU 22 - HB2 LEU 48 far 0 93 0 - 8.3-27.7 QD1 LEU 48 - HB3 LEU 122 far 0 51 0 - 9.0-14.7 QD1 LEU 49 - HB3 LEU 103 far 0 70 0 - 9.1-12.0 QG2 VAL 63 - HB2 LEU 48 far 0 100 0 - 9.2-14.5 QD1 LEU 123 - HB3 LEU 103 far 0 53 0 - 9.2-11.3 QG2 VAL 20 - HB3 LEU 103 far 0 56 0 - 9.6-30.1 QG1 VAL 20 - HB3 LEU 98 far 0 97 0 - 9.7-35.8 QD2 LEU 123 - HB3 LEU 98 far 0 68 0 - 9.8-13.5 QD1 LEU 62 - HB3 LEU 98 far 0 96 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1501 from cnoeabs.peaks (0.92, 1.78, 41.65 ppm; 3.84 A): 7 out of 30 assignments used, quality = 1.00: * QD1 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 48 + HB2 LEU 48 OK 92 92 100 100 2.0-3.2 3.1=100 QG2 VAL 63 + HB3 LEU 103 OK 61 62 100 99 2.9-4.5 ~10965=27, 11822/3.1=26...(28) QG1 VAL 118 + HB3 LEU 103 OK 42 44 95 100 1.9-6.5 ~10069=32, ~10069=31...(32) QG1 VAL 118 + HB3 LEU 122 OK 35 37 100 94 1.8-4.7 2.1/11916=22, 390/1.8=21...(28) QD1 LEU 62 + HB3 LEU 103 OK 33 65 70 73 3.9-8.0 ~11823=18, 11822/3.1=15...(18) QD1 LEU 49 + HB2 LEU 48 OK 28 97 30 97 5.0-6.8 4.7/6598=35...(41) QD1 LEU 62 - HB3 LEU 122 poor 17 56 30 - 4.4-7.8 QG1 VAL 20 - HB2 LEU 48 far 5 90 5 - 3.2-24.6 QD1 LEU 119 - HB3 LEU 98 far 4 81 5 - 5.3-13.9 QG1 VAL 118 - HB3 LEU 98 far 3 68 5 - 2.3-8.4 QD1 LEU 119 - HB3 LEU 103 far 3 55 5 - 5.2-9.1 QD1 LEU 119 - HB3 LEU 122 far 2 47 5 - 5.3-9.2 QD1 LEU 49 - HB3 LEU 122 far 0 55 0 - 5.4-7.9 QG2 VAL 63 - HB3 LEU 122 far 0 53 0 - 5.8-8.4 QD1 LEU 123 - HB3 LEU 122 far 0 60 0 - 6.4-7.5 QD1 LEU 123 - HB2 LEU 48 far 0 100 0 - 6.4-10.6 QG2 ILE 37 - HB2 LEU 48 far 0 96 0 - 6.9-13.8 QG2 VAL 112 - HB3 LEU 103 far 0 71 0 - 7.2-15.3 QD1 LEU 62 - HB2 LEU 48 far 0 97 0 - 7.4-12.5 QG2 ILE 37 - HB3 LEU 122 far 0 54 0 - 7.4-16.1 QG1 VAL 57 - HB2 LEU 48 far 0 71 0 - 7.7-10.7 QD2 LEU 48 - HB3 LEU 122 far 0 51 0 - 8.1-13.3 QD1 LEU 22 - HB2 LEU 48 far 0 60 0 - 8.3-27.7 QD1 LEU 48 - HB3 LEU 122 far 0 61 0 - 9.0-14.7 QD1 LEU 49 - HB3 LEU 103 far 0 64 0 - 9.1-12.0 QG2 VAL 63 - HB2 LEU 48 far 0 95 0 - 9.2-14.5 QD1 LEU 123 - HB3 LEU 103 far 0 70 0 - 9.2-11.3 QG1 VAL 20 - HB3 LEU 98 far 0 85 0 - 9.7-35.8 QD1 LEU 62 - HB3 LEU 98 far 0 93 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1502 from cnoeabs.peaks (8.30, 1.78, 41.65 ppm; 4.34 A): 5 out of 27 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 48 OK 100 100 100 100 2.1-4.1 6598=100, 6589/6584=68...(46) H SER 99 + HB3 LEU 98 OK 92 92 100 100 2.2-3.8 4.6=83, 3166/1.8=75...(21) H VAL 126 + HB3 LEU 122 OK 51 54 100 95 4.2-5.5 4.0/11678=38...(19) H SER 99 + HB3 LEU 122 OK 44 55 85 95 3.1-7.8 7378=29, 11382/3.1=22...(32) H LEU 96 + HB3 LEU 98 OK 42 58 80 90 5.0-6.3 3.6/2963=60...(14) H LEU 96 - HB3 LEU 122 poor 14 31 45 - 4.4-7.1 H ALA 28 - HB2 LEU 48 far 11 73 15 - 4.1-22.8 H LEU 69 - HB3 LEU 122 far 0 60 0 - 5.9-12.0 H SER 99 - HB3 LEU 103 far 0 64 0 - 6.0-7.6 H LEU 69 - HB2 LEU 48 far 0 100 0 - 6.4-11.8 H GLY 111 - HB3 LEU 103 far 0 71 0 - 6.7-13.5 H ALA 110 - HB3 LEU 103 far 0 70 0 - 7.3-13.6 H ALA 28 - HB3 LEU 98 far 0 68 0 - 7.4-26.5 H ALA 110 - HB3 LEU 98 far 0 97 0 - 7.6-22.6 H ALA 21 - HB2 LEU 48 far 0 100 0 - 7.9-30.5 H ALA 110 - HB3 LEU 122 far 0 61 0 - 8.1-17.9 H VAL 126 - HB3 LEU 98 far 0 91 0 - 8.3-12.3 H LEU 43 - HB2 LEU 48 far 0 92 0 - 8.7-11.2 H TYR 72 - HB3 LEU 122 far 0 45 0 - 8.7-12.6 H GLY 17 - HB2 LEU 48 far 0 89 0 - 8.9-32.1 H LEU 49 - HB3 LEU 122 far 0 61 0 - 9.0-13.1 H ALA 28 - HB3 LEU 103 far 0 44 0 - 9.0-22.8 H GLY 111 - HB3 LEU 122 far 0 61 0 - 9.6-17.9 H ALA 21 - HB3 LEU 98 far 0 96 0 - 9.7-41.6 H LEU 96 - HB3 LEU 103 far 0 37 0 - 9.8-11.3 H VAL 126 - HB3 LEU 103 far 0 63 0 - 9.9-12.0 H GLY 111 - HB3 LEU 98 far 0 97 0 - 9.9-22.4 Violated in 0 structures by 0.00 A. Peak 1503 from cnoeabs.peaks (4.12, 1.89, 41.65 ppm; 4.69 A): 3 out of 5 assignments used, quality = 1.00: * HA CYS 45 + HB3 LEU 48 OK 100 100 100 100 2.3-5.5 1438=100, 1437/1.8=86...(17) HA LEU 48 + HB3 LEU 48 OK 95 95 100 100 2.2-3.0 3.0=100 HA LEU 49 + HB3 LEU 48 OK 92 92 100 100 4.1-5.4 ~6598=52, 2.9/6599=41...(39) HA ALA 52 - HB3 LEU 48 far 0 97 0 - 6.2-8.9 HA ILE 32 - HB3 LEU 48 far 0 95 0 - 8.4-18.8 Violated in 0 structures by 0.00 A. Peak 1504 from cnoeabs.peaks (8.04, 1.89, 41.65 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.0-3.6 3.9=100 H ALA 52 + HB3 LEU 48 OK 32 89 40 91 4.9-6.7 6596/4.6=21, 6644/3.0=19...(23) H VAL 20 - HB3 LEU 48 far 4 87 5 - 4.3-31.6 Violated in 0 structures by 0.00 A. Peak 1505 from cnoeabs.peaks (4.11, 1.89, 41.65 ppm; 4.72 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 49 + HB3 LEU 48 OK 100 100 100 100 4.1-5.4 ~6598=53, 2.9/6599=42...(39) HA CYS 45 + HB3 LEU 48 OK 95 95 100 100 2.3-5.5 1438=91, 1437/1.8=80...(17) HA ALA 52 - HB3 LEU 48 far 0 76 0 - 6.2-8.9 HA ILE 32 - HB3 LEU 48 far 0 100 0 - 8.4-18.8 Violated in 0 structures by 0.00 A. Peak 1506 from cnoeabs.peaks (1.78, 1.89, 41.65 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 48 + HB3 LEU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 23 - HB3 LEU 48 far 0 68 0 - 7.2-28.4 Violated in 0 structures by 0.00 A. Peak 1507 from cnoeabs.peaks (1.89, 1.89, 41.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 48 + HB3 LEU 48 OK 100 100 - 100 Peak 1508 from cnoeabs.peaks (1.71, 1.89, 41.65 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 LEU 43 - HB3 LEU 48 far 0 93 0 - 8.4-12.1 Violated in 0 structures by 0.00 A. Peak 1509 from cnoeabs.peaks (0.91, 1.89, 41.65 ppm; 4.43 A): 2 out of 11 assignments used, quality = 1.00: * QD2 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 48 + HB3 LEU 48 OK 92 92 100 100 2.0-3.2 3.1=100 QD1 LEU 49 - HB3 LEU 48 far 10 100 10 - 5.4-6.8 QG1 VAL 20 - HB3 LEU 48 far 5 100 5 - 1.9-24.5 QG2 VAL 20 - HB3 LEU 48 far 4 89 5 - 2.0-23.9 QD2 LEU 123 - HB3 LEU 48 far 0 73 0 - 6.2-10.7 QD1 LEU 123 - HB3 LEU 48 far 0 85 0 - 6.4-10.3 QG2 ILE 37 - HB3 LEU 48 far 0 65 0 - 7.0-15.2 QD1 LEU 22 - HB3 LEU 48 far 0 93 0 - 7.2-26.8 QD1 LEU 62 - HB3 LEU 48 far 0 100 0 - 7.4-12.4 QG2 VAL 63 - HB3 LEU 48 far 0 100 0 - 9.4-14.5 Violated in 0 structures by 0.00 A. Peak 1510 from cnoeabs.peaks (0.92, 1.89, 41.65 ppm; 4.41 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 48 + HB3 LEU 48 OK 92 92 100 100 2.1-3.2 3.1=100 QD1 LEU 49 - HB3 LEU 48 far 10 97 10 - 5.4-6.8 QG1 VAL 20 - HB3 LEU 48 far 5 90 5 - 1.9-24.5 QD1 LEU 123 - HB3 LEU 48 far 0 100 0 - 6.4-10.3 QG2 ILE 37 - HB3 LEU 48 far 0 96 0 - 7.0-15.2 QG1 VAL 57 - HB3 LEU 48 far 0 71 0 - 7.1-10.3 QD1 LEU 22 - HB3 LEU 48 far 0 60 0 - 7.2-26.8 QD1 LEU 62 - HB3 LEU 48 far 0 97 0 - 7.4-12.4 QG2 VAL 63 - HB3 LEU 48 far 0 95 0 - 9.4-14.5 Violated in 0 structures by 0.00 A. Peak 1511 from cnoeabs.peaks (8.30, 1.89, 41.65 ppm; 4.85 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 49 + HB3 LEU 48 OK 100 100 100 100 2.1-4.1 4.6=100 H ALA 28 - HB3 LEU 48 poor 18 73 25 - 3.0-22.8 H ALA 21 - HB3 LEU 48 far 5 100 5 - 6.2-30.5 H LEU 69 - HB3 LEU 48 far 0 100 0 - 7.2-12.8 H GLY 17 - HB3 LEU 48 far 0 89 0 - 7.8-31.8 H LEU 43 - HB3 LEU 48 far 0 92 0 - 8.2-11.9 Violated in 0 structures by 0.00 A. Peak 1512 from cnoeabs.peaks (8.04, 1.71, 26.79 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 48 + HG LEU 48 OK 100 100 100 100 3.5-4.3 6586=100, 6585/3.0=65...(23) H ALA 52 - HG LEU 48 far 9 89 10 - 4.3-8.0 H VAL 20 - HG LEU 48 far 4 87 5 - 5.2-29.4 H CYS 125 - HG LEU 98 far 0 99 0 - 8.7-11.4 Violated in 15 structures by 0.23 A. Peak 1513 from cnoeabs.peaks (4.11, 1.71, 26.79 ppm; 3.79 A): 4 out of 7 assignments used, quality = 1.00: * HA LEU 48 + HG LEU 48 OK 100 100 100 100 3.1-4.2 3.7=100 HA LEU 98 + HG LEU 98 OK 99 99 100 100 2.9-4.3 3.7=100 HA CYS 45 + HG LEU 48 OK 93 95 100 98 3.3-4.9 1438/3.0=45, 10886=45...(14) HA LEU 49 + HG LEU 48 OK 54 100 55 98 2.8-6.5 2.9/6600=42...(33) HA ALA 52 - HG LEU 48 far 0 76 0 - 6.0-10.0 HA ILE 32 - HG LEU 48 far 0 100 0 - 7.4-18.8 HA GLN 101 - HG LEU 98 far 0 98 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 1514 from cnoeabs.peaks (1.78, 1.71, 26.79 ppm; 4.35 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 48 + HG LEU 48 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 LEU 98 + HG LEU 98 OK 99 99 100 100 2.2-3.0 3.0=100 HB3 LEU 122 - HG LEU 98 far 0 92 0 - 6.2-11.4 HB2 ARG 23 - HG LEU 98 far 0 66 0 - 6.4-35.8 HB2 ARG 23 - HG LEU 48 far 0 68 0 - 7.7-26.3 HB3 LEU 103 - HG LEU 98 far 0 93 0 - 9.5-11.1 HG LEU 100 - HG LEU 98 far 0 99 0 - 9.8-11.2 HG LEU 100 - HG LEU 48 far 0 100 0 - 9.8-19.3 Violated in 0 structures by 0.00 A. Peak 1515 from cnoeabs.peaks (1.89, 1.71, 26.79 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 48 + HG LEU 48 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 LEU 49 - HG LEU 48 far 4 78 5 - 4.9-8.1 HB3 LYS 36 - HG LEU 48 far 0 97 0 - 6.0-16.0 HB3 LEU 123 - HG LEU 48 far 0 85 0 - 9.4-14.8 HB2 MET 11 - HG LEU 48 far 0 60 0 - 9.7-38.5 HB2 ARG 90 - HG LEU 98 far 0 82 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 1516 from cnoeabs.peaks (1.71, 1.71, 26.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 48 + HG LEU 48 OK 100 100 - 100 HG LEU 98 + HG LEU 98 OK 99 99 - 100 Peak 1517 from cnoeabs.peaks (0.91, 1.71, 26.79 ppm; 2.77 A): 2 out of 13 assignments used, quality = 1.00: * QD2 LEU 48 + HG LEU 48 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 48 + HG LEU 48 OK 92 92 100 100 2.1-2.1 2.1=100 QG1 VAL 20 - HG LEU 48 far 5 100 5 - 3.3-23.9 QG2 VAL 20 - HG LEU 48 far 4 89 5 - 3.3-24.8 QG1 VAL 118 - HG LEU 98 far 0 96 0 - 4.3-9.1 QD1 LEU 49 - HG LEU 48 far 0 100 0 - 5.3-7.7 QD1 LEU 123 - HG LEU 48 far 0 85 0 - 5.8-11.0 QD2 LEU 123 - HG LEU 48 far 0 73 0 - 6.2-10.6 QD1 LEU 22 - HG LEU 48 far 0 93 0 - 6.4-26.4 QG2 ILE 37 - HG LEU 48 far 0 65 0 - 7.0-14.1 QD1 LEU 62 - HG LEU 48 far 0 100 0 - 7.8-13.8 QG2 VAL 20 - HG LEU 98 far 0 86 0 - 8.9-33.1 QG2 VAL 63 - HG LEU 48 far 0 100 0 - 9.4-15.5 Violated in 0 structures by 0.00 A. Peak 1518 from cnoeabs.peaks (0.92, 1.71, 26.79 ppm; 3.26 A): 2 out of 12 assignments used, quality = 1.00: * QD1 LEU 48 + HG LEU 48 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 48 + HG LEU 48 OK 92 92 100 100 2.1-2.1 2.1=100 QG1 VAL 20 - HG LEU 48 far 5 90 5 - 3.3-23.9 QG1 VAL 118 - HG LEU 98 far 4 71 5 - 4.3-9.1 QD1 LEU 49 - HG LEU 48 far 0 97 0 - 5.3-7.7 QD1 LEU 123 - HG LEU 48 far 0 100 0 - 5.8-11.0 QG1 VAL 57 - HG LEU 48 far 0 71 0 - 6.3-11.5 QD1 LEU 22 - HG LEU 48 far 0 60 0 - 6.4-26.4 QG2 ILE 37 - HG LEU 48 far 0 96 0 - 7.0-14.1 QD1 LEU 119 - HG LEU 98 far 0 84 0 - 7.6-15.1 QD1 LEU 62 - HG LEU 48 far 0 97 0 - 7.8-13.8 QG2 VAL 63 - HG LEU 48 far 0 95 0 - 9.4-15.5 Violated in 0 structures by 0.00 A. Peak 1519 from cnoeabs.peaks (8.30, 1.71, 26.79 ppm; 4.53 A): 3 out of 10 assignments used, quality = 1.00: * H LEU 49 + HG LEU 48 OK 100 100 100 100 2.7-4.8 6600=86, 6589/6586=71...(43) H SER 99 + HG LEU 98 OK 94 95 100 100 3.6-4.9 3191/2.1=72, 3166/3.0=65...(16) H LEU 96 + HG LEU 98 OK 43 60 75 96 4.8-7.5 3.6/11468=66...(20) H ALA 28 - HG LEU 48 poor 15 73 20 - 2.6-21.3 H ALA 28 - HG LEU 98 far 4 71 5 - 4.7-27.6 H ALA 21 - HG LEU 48 far 0 100 0 - 6.6-28.2 H LEU 69 - HG LEU 48 far 0 100 0 - 6.8-11.8 H GLY 17 - HG LEU 48 far 0 89 0 - 8.6-29.7 H VAL 126 - HG LEU 98 far 0 93 0 - 9.2-12.5 H ALA 110 - HG LEU 98 far 0 99 0 - 9.5-24.5 Violated in 0 structures by 0.00 A. Peak 1520 from cnoeabs.peaks (8.04, 0.91, 23.93 ppm; 4.17 A): 5 out of 15 assignments used, quality = 1.00: * H LEU 48 + QD2 LEU 48 OK 100 100 100 100 1.7-4.0 6586/2.1=84, 6585/3.1=75...(30) H ALA 52 + QD2 LEU 48 OK 44 89 55 90 3.4-6.9 2.9/9231=32...(17) H LEU 48 + QD1 LEU 48 OK 42 42 100 100 1.9-4.4 6586/2.1=84, 6585/3.1=75...(32) H CYS 125 + QD1 LEU 123 OK 27 43 65 96 4.6-6.6 3979/10372=43, ~7765=33...(13) H ALA 52 + QD1 LEU 48 OK 20 32 75 84 4.8-6.3 1504/3.1=19, 2.9/9231=18...(18) H ALA 52 - QD1 LEU 123 poor 17 33 50 - 3.7-7.3 H VAL 20 - QD1 LEU 48 far 2 31 5 - 3.5-24.6 H VAL 20 - QD2 LEU 48 far 0 87 0 - 6.0-24.5 H LEU 48 - QD1 LEU 123 far 0 43 0 - 6.4-9.5 H SER 130 - QD1 LEU 123 far 0 39 0 - 7.0-10.6 H SER 130 - QD1 LEU 48 far 0 38 0 - 7.7-11.8 H ALA 16 - QD1 LEU 48 far 0 34 0 - 7.9-26.6 H ALA 16 - QD2 LEU 48 far 0 92 0 - 8.6-25.9 H SER 130 - QD2 LEU 48 far 0 97 0 - 8.8-11.6 H CYS 125 - QD1 LEU 48 far 0 42 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 1521 from cnoeabs.peaks (4.11, 0.91, 23.93 ppm; 3.18 A): 6 out of 15 assignments used, quality = 1.00: * HA LEU 48 + QD2 LEU 48 OK 98 100 100 98 2.7-3.9 3.8=58, 3.6/1527=24...(25) HA CYS 45 + QD2 LEU 48 OK 71 95 80 94 1.7-5.4 1438/3.1=30, 1437/3.1=29...(19) HA LEU 49 + QD2 LEU 48 OK 53 100 55 97 2.0-5.5 2.9/1527=28, 3.7/9205=26...(42) HA LEU 48 + QD1 LEU 48 OK 40 42 100 96 1.9-3.6 4.0=49, ~6586=22...(29) HA CYS 45 + QD1 LEU 48 OK 33 36 100 92 1.8-4.3 1438/3.1=30, 1437/3.1=29...(18) HA LEU 49 + QD1 LEU 48 OK 22 42 55 95 2.6-5.8 ~6600=18, ~1527=15...(43) HA LEU 49 - QD1 LEU 123 poor 19 43 45 - 3.1-7.5 HA ALA 52 - QD2 LEU 48 far 0 76 0 - 4.7-8.9 HA ALA 52 - QD1 LEU 123 far 0 27 0 - 4.8-8.9 HA ILE 32 - QD2 LEU 48 far 0 100 0 - 5.9-17.1 HA ALA 52 - QD1 LEU 48 far 0 26 0 - 6.4-8.3 HA LEU 48 - QD1 LEU 123 far 0 43 0 - 6.6-9.4 HA CYS 45 - QD1 LEU 123 far 0 37 0 - 7.6-11.4 HA ILE 32 - QD1 LEU 48 far 0 42 0 - 7.7-15.2 HA3 GLY 114 - QD1 LEU 123 far 0 35 0 - 7.8-16.1 Violated in 0 structures by 0.00 A. Peak 1522 from cnoeabs.peaks (1.78, 0.91, 23.93 ppm; 3.54 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 LEU 48 + QD1 LEU 48 OK 42 42 100 100 2.0-3.2 3.1=100 HB3 LEU 122 - QD1 LEU 123 far 0 37 0 - 6.4-7.5 HB2 LEU 48 - QD1 LEU 123 far 0 43 0 - 6.4-10.6 HG LEU 100 - QD1 LEU 48 far 0 41 0 - 7.0-16.6 HG LEU 100 - QD1 LEU 123 far 0 42 0 - 7.0-10.7 HB2 ARG 23 - QD1 LEU 48 far 0 23 0 - 7.0-22.0 HB3 LEU 122 - QD2 LEU 48 far 0 95 0 - 8.1-13.3 HG LEU 100 - QD2 LEU 48 far 0 100 0 - 8.2-14.9 HB2 ARG 23 - QD2 LEU 48 far 0 68 0 - 8.4-21.4 HB3 LEU 122 - QD1 LEU 48 far 0 36 0 - 9.0-14.7 HB3 LEU 103 - QD1 LEU 123 far 0 38 0 - 9.2-11.3 HB2 ARG 23 - QD1 LEU 123 far 0 23 0 - 9.7-25.4 Violated in 0 structures by 0.00 A. Peak 1523 from cnoeabs.peaks (1.89, 0.91, 23.93 ppm; 3.43 A): 4 out of 19 assignments used, quality = 1.00: * HB3 LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 49 + QD2 LEU 48 OK 42 78 55 98 3.5-6.3 3.0/9205=38, 3.9/1527=25...(72) HB3 LEU 48 + QD1 LEU 48 OK 42 42 100 100 2.0-3.2 3.1=100 HB3 LEU 123 + QD1 LEU 123 OK 31 31 100 100 1.9-3.1 3.2=100 HB3 LEU 49 - QD1 LEU 123 poor 15 28 55 - 1.8-6.5 HB3 LEU 49 - QD1 LEU 48 poor 12 27 45 - 3.2-7.2 HB3 LEU 119 - QD1 LEU 123 far 4 28 15 - 4.4-7.9 HB3 LYS 36 - QD2 LEU 48 far 0 97 0 - 5.2-15.3 HB3 LYS 36 - QD1 LEU 48 far 0 38 0 - 5.3-13.7 HB3 LEU 48 - QD1 LEU 123 far 0 43 0 - 6.4-10.3 HB2 GLU 40 - QD2 LEU 48 far 0 100 0 - 7.2-13.3 HB3 LEU 123 - QD2 LEU 48 far 0 85 0 - 7.6-11.4 HB3 LEU 123 - QD1 LEU 48 far 0 30 0 - 7.6-11.9 HB2 PRO 113 - QD1 LEU 123 far 0 34 0 - 7.9-16.0 HB2 GLU 40 - QD1 LEU 48 far 0 41 0 - 8.5-11.6 HB3 LEU 119 - QD2 LEU 48 far 0 78 0 - 9.1-15.2 HB3 LEU 119 - QD1 LEU 48 far 0 27 0 - 9.6-15.6 HB2 PRO 113 - QD2 LEU 48 far 0 90 0 - 9.8-19.8 HB2 MET 11 - QD2 LEU 48 far 0 60 0 - 9.8-32.0 Violated in 0 structures by 0.00 A. Peak 1524 from cnoeabs.peaks (1.71, 0.91, 23.93 ppm; 2.88 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 48 + QD1 LEU 48 OK 42 42 100 100 2.1-2.1 2.1=100 HG LEU 48 - QD1 LEU 123 far 0 43 0 - 5.8-11.0 HB2 LEU 43 - QD2 LEU 48 far 0 93 0 - 6.6-10.5 HB2 LEU 43 - QD1 LEU 48 far 0 35 0 - 6.9-10.3 HB2 LEU 70 - QD1 LEU 48 far 0 42 0 - 7.3-14.3 HB3 LEU 70 - QD1 LEU 48 far 0 42 0 - 7.4-14.9 HB2 LEU 70 - QD1 LEU 123 far 0 43 0 - 8.6-12.0 HB2 LEU 70 - QD2 LEU 48 far 0 100 0 - 9.2-12.4 HB3 LEU 70 - QD1 LEU 123 far 0 43 0 - 9.3-12.1 HB3 LEU 70 - QD2 LEU 48 far 0 100 0 - 9.5-12.8 HB2 LEU 43 - QD1 LEU 123 far 0 36 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 1525 from cnoeabs.peaks (0.91, 0.91, 23.93 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 48 + QD2 LEU 48 OK 100 100 - 100 QD1 LEU 48 + QD1 LEU 48 OK 34 34 - 100 QD1 LEU 123 + QD1 LEU 123 OK 31 31 - 100 Peak 1526 from cnoeabs.peaks (0.92, 0.91, 23.93 ppm; diagonal): 3 out of 3 assignments used, quality = 0.97: QD2 LEU 48 + QD2 LEU 48 OK 92 92 - 100 QD1 LEU 123 + QD1 LEU 123 OK 42 42 - 100 QD1 LEU 48 + QD1 LEU 48 OK 42 42 - 100 Reference assignment not found: QD1 LEU 48 - QD2 LEU 48 Peak 1527 from cnoeabs.peaks (8.30, 0.91, 23.93 ppm; 3.89 A): 2 out of 24 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 48 OK 100 100 100 100 1.9-3.3 6598/3.1=52, 6600/2.1=50...(57) H LEU 49 + QD1 LEU 48 OK 42 42 100 100 1.5-4.3 6598/3.1=52, 6600/2.1=50...(60) H LEU 49 - QD1 LEU 123 poor 17 43 40 - 4.4-7.6 H VAL 126 - QD1 LEU 123 poor 15 38 40 - 4.7-6.9 H LEU 69 - QD1 LEU 48 poor 10 41 25 - 4.4-10.6 H ALA 28 - QD2 LEU 48 far 7 73 10 - 3.6-18.3 H ALA 28 - QD1 LEU 48 far 4 25 15 - 3.0-18.0 H ALA 21 - QD1 LEU 48 far 2 41 5 - 5.1-23.5 H LEU 69 - QD2 LEU 48 far 0 100 0 - 5.5-9.2 H LEU 43 - QD2 LEU 48 far 0 92 0 - 6.5-10.6 H GLY 17 - QD1 LEU 48 far 0 32 0 - 6.9-25.2 H GLY 17 - QD2 LEU 48 far 0 89 0 - 6.9-24.7 H ALA 21 - QD2 LEU 48 far 0 100 0 - 7.0-23.4 H LEU 43 - QD1 LEU 48 far 0 34 0 - 7.4-9.7 H VAL 126 - QD1 LEU 48 far 0 37 0 - 7.7-12.7 H LEU 69 - QD1 LEU 123 far 0 42 0 - 8.1-11.2 H TYR 72 - QD1 LEU 48 far 0 30 0 - 8.2-12.9 H LEU 96 - QD1 LEU 123 far 0 21 0 - 8.6-11.1 H TYR 72 - QD2 LEU 48 far 0 85 0 - 8.7-12.7 H GLY 17 - QD1 LEU 123 far 0 33 0 - 8.8-32.0 H VAL 126 - QD2 LEU 48 far 0 96 0 - 8.8-11.5 H GLU 40 - QD2 LEU 48 far 0 78 0 - 9.0-14.3 H LEU 43 - QD1 LEU 123 far 0 35 0 - 9.3-13.7 H SER 99 - QD1 LEU 123 far 0 38 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1528 from cnoeabs.peaks (8.04, 0.92, 24.30 ppm; 3.64 A): 2 out of 11 assignments used, quality = 1.00: * H LEU 48 + QD1 LEU 48 OK 100 100 100 100 1.9-4.4 6586/2.1=69, 6585/3.1=60...(32) H LEU 48 + QD2 LEU 48 OK 42 42 100 100 1.7-4.0 6586/2.1=69, 6585/3.1=60...(28) H ALA 52 - QD1 LEU 48 poor 18 89 20 - 4.8-6.3 H ALA 52 - QD2 LEU 48 poor 16 32 50 - 3.4-6.9 H VAL 20 - QD1 LEU 48 far 4 87 5 - 3.5-24.6 H VAL 20 - QD2 LEU 48 far 0 31 0 - 6.0-24.5 H SER 130 - QD1 LEU 48 far 0 97 0 - 7.7-11.8 H ALA 16 - QD1 LEU 48 far 0 92 0 - 7.9-26.6 H ALA 16 - QD2 LEU 48 far 0 34 0 - 8.6-25.9 H SER 130 - QD2 LEU 48 far 0 38 0 - 8.8-11.6 H CYS 125 - QD1 LEU 48 far 0 100 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 1529 from cnoeabs.peaks (4.11, 0.92, 24.30 ppm; 2.89 A): 5 out of 10 assignments used, quality = 1.00: * HA LEU 48 + QD1 LEU 48 OK 94 100 100 94 1.9-3.6 4.0=37, 2.9/1528=25...(29) HA CYS 45 + QD1 LEU 48 OK 82 95 100 87 1.8-4.3 9164=24, 1438/3.1=24...(17) HA LEU 49 + QD1 LEU 48 OK 46 100 50 92 2.6-5.8 2.9/1535=16, ~6600=14...(42) HA LEU 48 + QD2 LEU 48 OK 39 42 100 93 2.7-3.9 3.8=44, ~6586=17...(25) HA LEU 49 + QD2 LEU 48 OK 21 42 55 91 2.0-5.5 ~6600=14, ~6598=11...(42) HA CYS 45 - QD2 LEU 48 poor 20 36 65 85 1.7-5.4 1438/3.1=23, 1437/3.1=23...(15) HA ALA 52 - QD2 LEU 48 far 0 26 0 - 4.7-8.9 HA ILE 32 - QD2 LEU 48 far 0 42 0 - 5.9-17.1 HA ALA 52 - QD1 LEU 48 far 0 76 0 - 6.4-8.3 HA ILE 32 - QD1 LEU 48 far 0 100 0 - 7.7-15.2 Violated in 0 structures by 0.00 A. Peak 1530 from cnoeabs.peaks (1.78, 0.92, 24.30 ppm; 3.17 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 LEU 48 + QD2 LEU 48 OK 42 42 100 100 2.0-3.2 3.1=100 HG LEU 100 - QD1 LEU 48 far 0 100 0 - 7.0-16.6 HB2 ARG 23 - QD1 LEU 48 far 0 68 0 - 7.0-22.0 HB3 LEU 122 - QD2 LEU 48 far 0 36 0 - 8.1-13.3 HG LEU 100 - QD2 LEU 48 far 0 41 0 - 8.2-14.9 HB2 ARG 23 - QD2 LEU 48 far 0 23 0 - 8.4-21.4 HB3 LEU 122 - QD1 LEU 48 far 0 95 0 - 9.0-14.7 Violated in 0 structures by 0.00 A. Peak 1531 from cnoeabs.peaks (1.89, 0.92, 24.30 ppm; 3.09 A): 3 out of 14 assignments used, quality = 1.00: * HB3 LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 48 + QD2 LEU 48 OK 42 42 100 99 2.1-3.2 3.1=97, 1.8/1530=26...(24) HB3 LEU 49 + QD1 LEU 48 OK 33 78 45 93 3.2-7.2 3.9/1535=15, ~9205=14...(64) HB3 LEU 49 - QD2 LEU 48 poor 15 27 55 - 3.5-6.3 HB3 LYS 36 - QD2 LEU 48 far 0 38 0 - 5.2-15.3 HB3 LYS 36 - QD1 LEU 48 far 0 97 0 - 5.3-13.7 HB2 GLU 40 - QD2 LEU 48 far 0 41 0 - 7.2-13.3 HB3 LEU 123 - QD2 LEU 48 far 0 30 0 - 7.6-11.4 HB3 LEU 123 - QD1 LEU 48 far 0 85 0 - 7.6-11.9 HB2 MET 11 - QD1 LEU 48 far 0 60 0 - 8.3-32.3 HB2 GLU 40 - QD1 LEU 48 far 0 100 0 - 8.5-11.6 HB3 LEU 119 - QD2 LEU 48 far 0 27 0 - 9.1-15.2 HB3 LEU 119 - QD1 LEU 48 far 0 78 0 - 9.6-15.6 HB2 PRO 113 - QD2 LEU 48 far 0 33 0 - 9.8-19.8 Violated in 0 structures by 0.00 A. Peak 1532 from cnoeabs.peaks (1.71, 0.92, 24.30 ppm; 2.77 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 48 + QD2 LEU 48 OK 42 42 100 100 2.1-2.1 2.1=100 HB2 LEU 43 - QD2 LEU 48 far 0 35 0 - 6.6-10.5 HB2 LEU 43 - QD1 LEU 48 far 0 93 0 - 6.9-10.3 HB2 LEU 70 - QD1 LEU 48 far 0 100 0 - 7.3-14.3 HB3 LEU 70 - QD1 LEU 48 far 0 100 0 - 7.4-14.9 HB2 LEU 70 - QD2 LEU 48 far 0 42 0 - 9.2-12.4 HB3 LEU 70 - QD2 LEU 48 far 0 42 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 1533 from cnoeabs.peaks (0.91, 0.92, 24.30 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 48 + QD1 LEU 48 OK 92 92 - 100 QD2 LEU 48 + QD2 LEU 48 OK 42 42 - 100 Reference assignment not found: QD2 LEU 48 - QD1 LEU 48 Peak 1534 from cnoeabs.peaks (0.92, 0.92, 24.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 48 + QD1 LEU 48 OK 100 100 - 100 QD2 LEU 48 + QD2 LEU 48 OK 34 34 - 100 Peak 1535 from cnoeabs.peaks (8.30, 0.92, 24.30 ppm; 4.46 A): 2 out of 17 assignments used, quality = 1.00: * H LEU 49 + QD1 LEU 48 OK 100 100 100 100 1.5-4.3 6598/3.1=67, 6600/2.1=67...(61) H LEU 49 + QD2 LEU 48 OK 42 42 100 100 1.9-3.3 6598/3.1=67, 6600/2.1=67...(57) H LEU 69 - QD1 LEU 48 poor 15 100 40 38 4.4-10.6 11068/11848=21...(7) H ALA 28 - QD1 LEU 48 poor 15 73 20 - 3.0-18.0 H ALA 28 - QD2 LEU 48 poor 5 25 20 - 3.6-18.3 H ALA 21 - QD1 LEU 48 far 5 100 5 - 5.1-23.5 H LEU 69 - QD2 LEU 48 far 2 41 5 - 5.5-9.2 H LEU 43 - QD2 LEU 48 far 0 34 0 - 6.5-10.6 H GLY 17 - QD1 LEU 48 far 0 89 0 - 6.9-25.2 H GLY 17 - QD2 LEU 48 far 0 32 0 - 6.9-24.7 H ALA 21 - QD2 LEU 48 far 0 41 0 - 7.0-23.4 H LEU 43 - QD1 LEU 48 far 0 92 0 - 7.4-9.7 H VAL 126 - QD1 LEU 48 far 0 96 0 - 7.7-12.7 H TYR 72 - QD1 LEU 48 far 0 85 0 - 8.2-12.9 H TYR 72 - QD2 LEU 48 far 0 30 0 - 8.7-12.7 H VAL 126 - QD2 LEU 48 far 0 37 0 - 8.8-11.5 H GLU 40 - QD2 LEU 48 far 0 27 0 - 9.0-14.3 Violated in 0 structures by 0.00 A. Peak 1536 from cnoeabs.peaks (8.30, 4.11, 57.64 ppm; 4.27 A): 3 out of 17 assignments used, quality = 1.00: * H LEU 49 + HA LEU 49 OK 100 100 100 100 2.7-2.9 2.9=100 H SER 99 + HA LEU 98 OK 79 79 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 48 OK 66 66 100 100 3.5-3.6 3.6=100 H ALA 28 - HA LEU 48 far 4 41 10 - 4.6-24.4 H ALA 28 - HA LEU 49 far 4 73 5 - 5.3-22.8 H ALA 28 - HA LEU 98 far 0 56 0 - 6.1-26.0 H ALA 21 - HA LEU 48 far 0 65 0 - 6.2-31.9 H GLY 17 - HA LEU 48 far 0 53 0 - 6.4-33.5 H LEU 96 - HA LEU 98 far 0 47 0 - 6.9-7.4 H LEU 69 - HA LEU 49 far 0 100 0 - 7.1-10.7 H GLY 17 - HA LEU 49 far 0 89 0 - 7.9-34.6 H ALA 110 - HA LEU 98 far 0 85 0 - 8.2-21.7 H VAL 126 - HA LEU 49 far 0 96 0 - 9.1-11.4 H LEU 69 - HA LEU 48 far 0 66 0 - 9.3-13.2 H ALA 21 - HA LEU 49 far 0 100 0 - 9.4-29.1 H ALA 21 - HA LEU 98 far 0 84 0 - 9.7-41.2 H LEU 43 - HA LEU 48 far 0 56 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1537 from cnoeabs.peaks (4.11, 4.11, 57.64 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 49 + HA LEU 49 OK 100 100 - 100 HA LEU 98 + HA LEU 98 OK 85 85 - 100 HA LEU 48 + HA LEU 48 OK 66 66 - 100 Peak 1538 from cnoeabs.peaks (1.50, 4.11, 57.64 ppm; 4.09 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 49 + HA LEU 49 OK 100 100 100 100 2.3-2.6 3.0=100 QB ALA 52 + HA LEU 49 OK 83 87 100 96 2.2-2.7 9247/2.9=43, 1631=34...(21) QB ALA 52 + HA LEU 48 OK 45 51 100 88 4.2-5.3 9247/3.6=38, 1631=24...(14) HB2 LEU 53 - HA LEU 49 poor 15 73 20 - 5.4-7.6 HB2 LEU 49 - HA LEU 48 far 0 66 0 - 5.7-6.0 HG LEU 69 - HA LEU 49 far 0 89 0 - 6.9-10.1 HG LEU 69 - HA LEU 48 far 0 53 0 - 8.1-11.9 HB2 LEU 53 - HA LEU 48 far 0 41 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 1539 from cnoeabs.peaks (1.92, 4.11, 57.64 ppm; 4.03 A): 4 out of 11 assignments used, quality = 1.00: * HB3 LEU 49 + HA LEU 49 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LEU 48 + HA LEU 49 OK 77 78 100 99 4.1-5.4 ~6598=38, 6599/2.9=25...(38) HG LEU 53 + HA LEU 49 OK 52 83 65 97 2.6-6.9 2.1/1541=24, 1583/4.1=20...(34) HB3 LEU 48 + HA LEU 48 OK 45 45 100 100 2.2-3.0 3.0=100 HB3 LEU 123 - HA LEU 49 far 0 53 0 - 6.3-10.1 HB3 LEU 49 - HA LEU 48 far 0 66 0 - 6.6-6.6 HB3 LYS 95 - HA LEU 98 far 0 56 0 - 6.7-8.2 HG LEU 53 - HA LEU 48 far 0 48 0 - 7.1-10.1 HB2 LYS 95 - HA LEU 98 far 0 62 0 - 7.7-8.8 HB3 LEU 123 - HA LEU 48 far 0 28 0 - 9.9-13.6 HB2 PRO 113 - HA LEU 49 far 0 99 0 - 9.9-19.0 Violated in 0 structures by 0.00 A. Peak 1540 from cnoeabs.peaks (1.57, 4.11, 57.64 ppm; 4.10 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 49 + HA LEU 49 OK 100 100 100 100 3.6-3.8 3.7=100 HG LEU 49 + HA LEU 48 OK 57 66 90 96 5.1-5.9 6606/3.6=48, 9205/3.8=42...(25) HG LEU 123 + HA LEU 49 OK 30 100 35 85 4.9-8.9 1560/3.0=23, 1584/4.1=17...(23) HB2 LEU 119 - HA LEU 49 far 0 65 0 - 7.1-14.1 HB2 LEU 103 - HA LEU 98 far 0 84 0 - 7.3-8.9 HG2 ARG 23 - HA LEU 98 far 0 85 0 - 7.5-36.6 HG2 ARG 23 - HA LEU 48 far 0 66 0 - 8.3-31.3 HG LEU 123 - HA LEU 48 far 0 65 0 - 8.9-12.8 HB2 LEU 22 - HA LEU 48 far 0 34 0 - 9.1-30.8 HG LEU 103 - HA LEU 98 far 0 72 0 - 9.4-10.9 HG2 ARG 23 - HA LEU 49 far 0 100 0 - 9.9-27.3 Violated in 0 structures by 0.00 A. Peak 1541 from cnoeabs.peaks (0.80, 4.11, 57.64 ppm; 3.89 A): 2 out of 25 assignments used, quality = 1.00: * QD2 LEU 49 + HA LEU 49 OK 100 100 100 100 3.9-4.1 3.9=98, 2.1/1581=62...(21) QD1 LEU 53 + HA LEU 49 OK 47 100 50 94 3.7-6.8 1674/3.0=22, 6621/3.6=20...(31) QD2 LEU 119 - HA LEU 49 far 10 100 10 - 4.9-14.8 QD1 LEU 70 - HA LEU 98 far 3 60 5 - 5.0-7.9 QD2 LEU 122 - HA LEU 49 far 0 97 0 - 5.6-9.4 QD1 ILE 32 - HA LEU 49 far 0 83 0 - 5.6-14.3 QD1 LEU 122 - HA LEU 49 far 0 97 0 - 5.8-8.5 QD1 LEU 96 - HA LEU 98 far 0 54 0 - 5.9-8.4 QD2 LEU 49 - HA LEU 48 far 0 66 0 - 6.0-6.5 QD1 ILE 32 - HA LEU 48 far 0 48 0 - 6.4-15.4 QD1 LEU 53 - HA LEU 48 far 0 66 0 - 6.7-9.3 QD1 LEU 70 - HA LEU 49 far 0 78 0 - 6.9-13.6 QD2 LEU 122 - HA LEU 98 far 0 80 0 - 7.0-9.6 QD1 ILE 37 - HA LEU 49 far 0 87 0 - 7.0-15.6 QD1 LEU 122 - HA LEU 98 far 0 80 0 - 7.1-9.7 QD1 LEU 103 - HA LEU 98 far 0 73 0 - 7.9-9.6 QG1 VAL 63 - HA LEU 49 far 0 93 0 - 8.1-11.4 QD1 ILE 37 - HA LEU 48 far 0 51 0 - 8.2-14.9 QD1 LEU 96 - HA LEU 49 far 0 71 0 - 8.6-12.2 QD2 LEU 119 - HA LEU 48 far 0 66 0 - 8.6-18.4 QD2 LEU 119 - HA LEU 98 far 0 84 0 - 8.6-13.4 QG1 VAL 63 - HA LEU 98 far 0 75 0 - 8.8-11.1 QD1 LEU 122 - HA LEU 48 far 0 61 0 - 9.1-11.9 QD2 LEU 122 - HA LEU 48 far 0 61 0 - 9.1-13.2 QD1 LEU 103 - HA LEU 49 far 0 92 0 - 9.2-14.4 Violated in 10 structures by 0.05 A. Peak 1542 from cnoeabs.peaks (0.91, 4.11, 57.64 ppm; 3.37 A): 7 out of 28 assignments used, quality = 1.00: * QD1 LEU 49 + HA LEU 49 OK 98 100 100 98 3.3-3.8 1581=73, 2.1/1541=39...(22) QD2 LEU 48 + HA LEU 48 OK 65 66 100 99 2.7-3.9 3.8=69, 1527/3.6=27...(26) QD1 LEU 48 + HA LEU 48 OK 60 60 100 99 1.9-3.6 4.0=58, 1528/2.9=33...(30) QD2 LEU 48 + HA LEU 49 OK 54 100 55 99 2.0-5.5 1527/2.9=31, 9205/3.7=30...(43) QD1 LEU 48 + HA LEU 49 OK 52 97 55 98 2.6-5.8 1535/2.9=22, ~6600=20...(44) QD1 LEU 123 + HA LEU 49 OK 34 92 45 82 3.1-7.5 11874/4.8=18, 1581=13...(28) QD2 LEU 123 + HA LEU 49 OK 33 63 65 81 2.9-6.6 3948/3.7=10, ~1560=9...(31) QD1 LEU 62 - HA LEU 49 far 5 100 5 - 4.2-8.7 QG1 VAL 20 - HA LEU 49 far 5 100 5 - 3.8-26.0 QG2 VAL 20 - HA LEU 49 far 4 81 5 - 4.4-23.7 QG1 VAL 118 - HA LEU 98 far 4 76 5 - 4.5-7.9 QG1 VAL 20 - HA LEU 48 far 3 65 5 - 1.9-25.9 QG2 VAL 20 - HA LEU 48 far 2 46 5 - 3.8-26.0 QD1 LEU 49 - HA LEU 48 far 0 66 0 - 5.6-6.1 QD2 LEU 123 - HA LEU 48 far 0 34 0 - 6.5-9.7 QD1 LEU 119 - HA LEU 98 far 0 45 0 - 6.6-14.0 QD1 LEU 123 - HA LEU 48 far 0 56 0 - 6.6-9.4 QG2 VAL 20 - HA LEU 98 far 0 62 0 - 6.7-32.6 QD1 LEU 22 - HA LEU 48 far 0 51 0 - 7.0-27.6 QD1 LEU 119 - HA LEU 49 far 0 60 0 - 7.1-13.1 QG1 VAL 118 - HA LEU 49 far 0 95 0 - 7.2-13.6 QG2 VAL 63 - HA LEU 49 far 0 100 0 - 7.6-11.2 QG2 ILE 37 - HA LEU 49 far 0 76 0 - 8.0-15.8 QD1 LEU 62 - HA LEU 48 far 0 66 0 - 8.1-12.5 QG1 VAL 20 - HA LEU 98 far 0 84 0 - 8.8-35.2 QG2 VAL 63 - HA LEU 98 far 0 85 0 - 9.1-11.0 QG2 ILE 37 - HA LEU 48 far 0 43 0 - 9.3-15.7 QD1 LEU 62 - HA LEU 98 far 0 85 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 1543 from cnoeabs.peaks (8.66, 4.11, 57.64 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: * H SER 50 + HA LEU 49 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 50 + HA LEU 48 OK 66 66 100 100 4.0-4.5 6590/2.9=69, 6617=50...(23) H HIS 67 - HA LEU 49 far 0 100 0 - 6.7-11.3 H HIS 8 - HA LEU 48 far 0 66 0 - 7.6-50.8 Violated in 0 structures by 0.00 A. Peak 1544 from cnoeabs.peaks (8.03, 4.11, 57.64 ppm; 3.93 A): 4 out of 6 assignments used, quality = 1.00: * H ALA 52 + HA LEU 49 OK 99 100 100 99 3.0-3.4 6644=37, 6645/3.6=35...(30) H LEU 48 + HA LEU 49 OK 74 89 90 93 5.2-5.5 6589/2.9=55, 6590/3.6=33...(18) H ALA 52 + HA LEU 48 OK 63 66 100 94 4.0-5.0 1620/1615=46, 6644=35...(17) H LEU 48 + HA LEU 48 OK 53 53 100 100 2.8-2.9 2.9=100 H VAL 57 - HA LEU 49 far 0 78 0 - 8.2-10.6 H ALA 16 - HA LEU 48 far 0 66 0 - 8.3-34.9 Violated in 0 structures by 0.00 A. Peak 1545 from cnoeabs.peaks (1.48, 4.11, 57.64 ppm; 4.06 A): 3 out of 4 assignments used, quality = 1.00: * QB ALA 52 + HA LEU 49 OK 98 100 100 98 2.2-2.7 9247/2.9=52, 1631=43...(21) HB2 LEU 49 + HA LEU 49 OK 87 87 100 100 2.3-2.6 3.0=100 QB ALA 52 + HA LEU 48 OK 61 66 100 92 4.2-5.3 9247/3.6=46, 1631=30...(14) HB2 LEU 49 - HA LEU 48 far 0 51 0 - 5.7-6.0 Violated in 0 structures by 0.00 A. Peak 1546 from cnoeabs.peaks (3.90, 1.50, 41.17 ppm; 6.60 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 46 + HB2 LEU 49 OK 100 100 100 100 3.8-4.8 10898/3.2=98, 10899=62...(22) HB3 SER 50 + HB2 LEU 49 OK 99 99 100 100 5.9-7.3 3.9/6618=52, 1555/1.8=48...(40) HA LEU 70 - HB2 LEU 49 far 5 93 5 - 7.8-11.6 HA ALA 41 - HB2 LEU 49 far 0 93 0 - 9.7-13.0 HA2 GLY 2 - HB2 LEU 49 far 0 100 0 - 9.8-65.8 Violated in 0 structures by 0.00 A. Peak 1547 from cnoeabs.peaks (8.30, 1.50, 41.17 ppm; 4.98 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.2-3.0 3.9=100 H LEU 69 + HB2 LEU 49 OK 40 100 45 90 4.9-8.3 11056/3.2=41...(13) H ALA 28 - HB2 LEU 49 far 4 73 5 - 6.1-20.7 H VAL 126 - HB2 LEU 49 far 0 96 0 - 7.5-10.6 H TYR 72 - HB2 LEU 49 far 0 85 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 1548 from cnoeabs.peaks (4.11, 1.50, 41.17 ppm; 5.15 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 48 + HB2 LEU 49 OK 100 100 100 100 5.7-6.0 3.6/6604=44, 2.9/9198=32...(54) HA CYS 45 + HB2 LEU 49 OK 74 92 85 95 4.6-7.1 9155/10959=43...(15) HA ALA 52 - HB2 LEU 49 far 0 71 0 - 7.2-7.8 HA ILE 32 - HB2 LEU 49 far 0 100 0 - 9.2-17.9 Violated in 0 structures by 0.00 A. Peak 1549 from cnoeabs.peaks (1.50, 1.50, 41.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 49 + HB2 LEU 49 OK 100 100 - 100 Peak 1550 from cnoeabs.peaks (1.92, 1.50, 41.17 ppm; 4.64 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 49 + HB2 LEU 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 48 + HB2 LEU 49 OK 78 78 100 100 3.9-6.0 4.6/6604=30, ~9205=27...(78) HG LEU 53 + HB2 LEU 49 OK 54 83 65 100 3.1-8.5 1583/3.2=31, 2.1/1552=27...(40) HB3 LEU 123 - HB2 LEU 49 far 0 53 0 - 6.2-10.2 Violated in 0 structures by 0.00 A. Peak 1551 from cnoeabs.peaks (1.57, 1.50, 41.17 ppm; 5.11 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.5-2.7 3.0=100 HG LEU 123 + HB2 LEU 49 OK 50 100 50 100 4.7-9.3 1560/1.8=40, ~3948=30...(58) HB2 LEU 119 - HB2 LEU 49 far 0 65 0 - 7.8-13.8 HG13 ILE 37 - HB2 LEU 49 far 0 97 0 - 8.3-18.0 HB3 LEU 42 - HB2 LEU 49 far 0 63 0 - 9.8-13.5 HG LEU 103 - HB2 LEU 49 far 0 90 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 1552 from cnoeabs.peaks (0.80, 1.50, 41.17 ppm; 4.46 A): 3 out of 12 assignments used, quality = 1.00: * QD2 LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.0-2.3 3.2=100 QD1 LEU 53 + HB2 LEU 49 OK 49 100 50 99 3.3-7.5 1561/1.8=32, 1541/3.0=24...(43) QD1 LEU 122 + HB2 LEU 49 OK 24 97 55 44 4.3-8.2 11110/10959=18...(11) QD2 LEU 119 - HB2 LEU 49 far 10 100 10 - 5.2-14.4 QD1 ILE 32 - HB2 LEU 49 far 8 83 10 - 4.5-12.2 QD2 LEU 122 - HB2 LEU 49 poor 8 97 25 34 4.6-8.6 ~1561=9, 9431/10959=6...(11) QD1 LEU 70 - HB2 LEU 49 far 8 78 10 - 5.2-11.9 QD1 ILE 37 - HB2 LEU 49 far 4 87 5 - 5.2-14.2 QD1 LEU 96 - HB2 LEU 49 far 0 71 0 - 6.8-10.5 QG1 VAL 63 - HB2 LEU 49 far 0 93 0 - 7.2-10.3 QG2 ILE 129 - HB2 LEU 49 far 0 71 0 - 8.8-11.4 QD1 LEU 103 - HB2 LEU 49 far 0 92 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. Peak 1553 from cnoeabs.peaks (0.91, 1.50, 41.17 ppm; 4.40 A): 5 out of 12 assignments used, quality = 1.00: * QD1 LEU 49 + HB2 LEU 49 OK 100 100 100 100 3.1-3.2 3.2=100 QD2 LEU 48 + HB2 LEU 49 OK 100 100 100 100 2.4-5.3 9205/3.0=56, 1527/3.9=41...(83) QD2 LEU 123 + HB2 LEU 49 OK 59 63 95 99 2.3-7.2 ~1560=22, 2.1/1551=20...(58) QD1 LEU 48 + HB2 LEU 49 OK 58 97 60 100 1.9-6.5 ~9205=33, 1535/3.9=31...(87) QD1 LEU 123 + HB2 LEU 49 OK 50 92 55 100 3.3-7.6 ~3948=23, ~3948=22...(61) QD1 LEU 62 - HB2 LEU 49 poor 20 100 20 - 4.5-8.5 QG1 VAL 20 - HB2 LEU 49 far 5 100 5 - 5.3-25.7 QG2 VAL 20 - HB2 LEU 49 far 4 81 5 - 5.5-23.3 QG2 ILE 37 - HB2 LEU 49 far 0 76 0 - 5.9-14.1 QG2 VAL 63 - HB2 LEU 49 far 0 100 0 - 6.7-10.4 QG1 VAL 118 - HB2 LEU 49 far 0 95 0 - 6.7-12.6 QD1 LEU 119 - HB2 LEU 49 far 0 60 0 - 7.6-12.5 Violated in 0 structures by 0.00 A. Peak 1555 from cnoeabs.peaks (3.90, 1.92, 41.17 ppm; 5.24 A): 2 out of 10 assignments used, quality = 1.00: * HA ALA 46 + HB3 LEU 49 OK 100 100 100 100 4.5-5.4 10898/3.2=80...(18) HB3 SER 50 + HB3 LEU 49 OK 94 99 95 100 5.3-6.8 3.9/6619=51...(40) HB3 SER 50 - HB3 LEU 123 far 2 46 5 - 6.7-9.7 HA ALA 46 - HB3 LEU 123 far 0 48 0 - 7.4-11.4 HA2 GLY 2 - HB3 LEU 123 far 0 48 0 - 8.0-69.2 HA2 GLY 114 - HB3 LEU 123 far 0 42 0 - 8.1-16.5 HA LEU 70 - HB3 LEU 49 far 0 93 0 - 8.2-11.5 HA2 GLY 2 - HB3 LEU 49 far 0 100 0 - 9.0-66.6 HA3 GLY 2 - HB3 LEU 123 far 0 48 0 - 9.1-70.3 HA LEU 70 - HB3 LEU 123 far 0 41 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 1556 from cnoeabs.peaks (8.30, 1.92, 41.17 ppm; 4.22 A): 1 out of 10 assignments used, quality = 1.00: * H LEU 49 + HB3 LEU 49 OK 100 100 100 100 3.5-3.6 3.9=100 H VAL 126 - HB3 LEU 123 far 6 43 15 - 5.4-6.1 H LEU 69 - HB3 LEU 49 far 0 100 0 - 6.1-8.9 H VAL 126 - HB3 LEU 49 far 0 96 0 - 6.5-9.6 H ALA 28 - HB3 LEU 49 far 0 73 0 - 6.8-21.8 H LEU 49 - HB3 LEU 123 far 0 48 0 - 7.4-11.2 H LEU 96 - HB3 LEU 123 far 0 24 0 - 9.6-10.8 H SER 99 - HB3 LEU 123 far 0 43 0 - 9.7-12.1 H GLY 17 - HB3 LEU 49 far 0 89 0 - 9.8-35.1 H LEU 69 - HB3 LEU 123 far 0 47 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 1557 from cnoeabs.peaks (4.11, 1.92, 41.17 ppm; 3.75 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.3-2.6 3.0=100 HA CYS 45 - HB3 LEU 49 far 0 92 0 - 6.3-8.5 HA LEU 49 - HB3 LEU 123 far 0 48 0 - 6.3-10.1 HA LEU 48 - HB3 LEU 49 far 0 100 0 - 6.6-6.6 HA ALA 52 - HB3 LEU 49 far 0 71 0 - 6.7-7.4 HA ALA 52 - HB3 LEU 123 far 0 28 0 - 8.2-11.5 HA3 GLY 114 - HB3 LEU 123 far 0 38 0 - 9.1-17.1 HA LEU 48 - HB3 LEU 123 far 0 48 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 1558 from cnoeabs.peaks (1.50, 1.92, 41.17 ppm; 4.82 A): 5 out of 9 assignments used, quality = 1.00: * HB2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 52 + HB3 LEU 49 OK 85 87 100 98 3.6-4.7 9247/3.9=48, 1631/3.0=31...(25) HB2 LEU 53 + HB3 LEU 49 OK 51 73 70 99 4.3-7.7 3.1/1561=28, 1.8/1658=27...(44) HG LEU 69 + HB3 LEU 49 OK 31 89 35 99 4.9-8.3 2.1/11049=68, ~11061=39...(23) HB2 LEU 53 + HB3 LEU 123 OK 23 29 95 85 2.2-6.3 ~9254=39, ~9254=17...(20) QB ALA 52 - HB3 LEU 123 poor 9 36 25 - 5.8-9.8 HB2 LEU 49 - HB3 LEU 123 far 2 48 5 - 6.2-10.2 HG LEU 69 - HB3 LEU 123 far 0 38 0 - 8.0-12.1 HG LEU 42 - HB3 LEU 49 far 0 97 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 1559 from cnoeabs.peaks (1.92, 1.92, 41.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 49 + HB3 LEU 49 OK 100 100 - 100 Peak 1560 from cnoeabs.peaks (1.57, 1.92, 41.17 ppm; 4.33 A): 4 out of 11 assignments used, quality = 1.00: * HG LEU 49 + HB3 LEU 49 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 123 + HB3 LEU 49 OK 69 100 70 99 3.5-7.6 1584/3.2=23, 1567=23...(58) HG LEU 123 + HB3 LEU 123 OK 47 47 100 100 2.2-2.8 3.0=100 HB2 LEU 119 + HB3 LEU 123 OK 21 25 85 97 4.5-6.9 3923/1.8=29...(40) HG LEU 49 - HB3 LEU 123 far 0 48 0 - 6.0-9.6 HB2 LEU 119 - HB3 LEU 49 far 0 65 0 - 6.5-12.3 HG LEU 103 - HB3 LEU 123 far 0 39 0 - 9.4-13.4 HG13 ILE 37 - HB3 LEU 49 far 0 97 0 - 9.4-18.8 HB2 LEU 103 - HB3 LEU 123 far 0 47 0 - 9.5-12.9 HG LEU 103 - HB3 LEU 49 far 0 90 0 - 9.6-14.3 HB2 LEU 103 - HB3 LEU 49 far 0 100 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 1561 from cnoeabs.peaks (0.80, 1.92, 41.17 ppm; 4.23 A): 7 out of 22 assignments used, quality = 1.00: * QD2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.4-2.7 3.2=100 QD1 LEU 53 + HB3 LEU 49 OK 84 100 85 99 1.8-6.1 1552/1.8=26, 1674=24...(44) QD1 LEU 53 + HB3 LEU 123 OK 41 48 100 85 1.8-5.1 ~9254=39, 11571/1.8=20...(18) QD1 LEU 122 + HB3 LEU 123 OK 40 44 100 89 1.9-5.6 3899/3.9=35...(27) QD1 LEU 122 + HB3 LEU 49 OK 39 97 75 54 3.9-6.8 11110/10960=35...(9) QD2 LEU 122 + HB3 LEU 123 OK 34 44 85 90 3.1-5.8 3907/3.9=28...(29) QD2 LEU 119 + HB3 LEU 123 OK 27 47 65 87 4.2-8.2 3791/3.0=18, ~3923=15...(26) QD2 LEU 122 - HB3 LEU 49 poor 16 97 55 30 3.7-7.6 ~1552=6, 1676/11679=6...(10) QD2 LEU 49 - HB3 LEU 123 poor 14 48 30 - 4.5-7.9 QD2 LEU 119 - HB3 LEU 49 poor 9 100 30 29 4.4-13.2 11621/1640=12...(7) QD1 LEU 70 - HB3 LEU 49 far 4 78 5 - 5.2-11.7 QD1 LEU 70 - HB3 LEU 123 far 0 32 0 - 5.8-12.1 QD1 ILE 32 - HB3 LEU 49 far 0 83 0 - 5.8-13.3 QD1 ILE 37 - HB3 LEU 49 far 0 87 0 - 6.3-15.1 QD1 LEU 96 - HB3 LEU 49 far 0 71 0 - 6.7-10.2 QG1 VAL 63 - HB3 LEU 49 far 0 93 0 - 7.4-9.9 QD1 LEU 96 - HB3 LEU 123 far 0 28 0 - 7.7-9.6 QD1 LEU 103 - HB3 LEU 123 far 0 40 0 - 7.9-11.7 QG1 VAL 63 - HB3 LEU 123 far 0 41 0 - 8.7-12.8 QD1 LEU 103 - HB3 LEU 49 far 0 92 0 - 8.9-13.0 QG2 ILE 129 - HB3 LEU 49 far 0 71 0 - 9.2-11.6 QD1 ILE 37 - HB3 LEU 123 far 0 36 0 - 9.8-17.9 Violated in 0 structures by 0.00 A. Peak 1562 from cnoeabs.peaks (0.91, 1.92, 41.17 ppm; 3.37 A): 8 out of 22 assignments used, quality = 1.00: * QD1 LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.0-2.3 3.2=100 QD2 LEU 123 + HB3 LEU 49 OK 54 63 95 90 1.7-5.8 2.1/1560=17, 3948/3.0=13...(51) QD2 LEU 48 + HB3 LEU 49 OK 54 100 55 98 3.5-6.3 9205/3.0=37, 1527/3.9=24...(73) QD1 LEU 123 + HB3 LEU 49 OK 48 92 55 95 1.8-6.5 2.1/1560=17, 3957/3.2=12...(55) QD1 LEU 48 + HB3 LEU 49 OK 42 97 45 98 3.2-7.2 ~9205=18, 1535/3.9=18...(74) QD1 LEU 123 + HB3 LEU 123 OK 40 40 100 100 1.9-3.1 3.2=100 QD1 LEU 49 + HB3 LEU 123 OK 27 48 60 93 3.0-6.0 3950/3.2=22, 3925/1.8=19...(46) QD2 LEU 123 + HB3 LEU 123 OK 24 24 100 100 2.0-3.2 3.2=100 QD1 LEU 62 - HB3 LEU 49 far 10 100 10 - 4.2-7.2 QD1 LEU 62 - HB3 LEU 123 far 7 48 15 - 3.4-8.6 QG1 VAL 118 - HB3 LEU 123 far 6 42 15 - 4.5-7.9 QG1 VAL 20 - HB3 LEU 49 far 0 100 0 - 5.8-27.0 QG1 VAL 118 - HB3 LEU 49 far 0 95 0 - 5.9-11.7 QD1 LEU 119 - HB3 LEU 123 far 0 23 0 - 6.1-7.8 QG2 VAL 20 - HB3 LEU 49 far 0 81 0 - 6.4-24.7 QG2 ILE 37 - HB3 LEU 49 far 0 76 0 - 6.8-14.7 QD1 LEU 119 - HB3 LEU 49 far 0 60 0 - 6.9-11.4 QG2 VAL 63 - HB3 LEU 123 far 0 48 0 - 7.2-11.7 QG2 VAL 63 - HB3 LEU 49 far 0 100 0 - 7.3-9.7 QD2 LEU 48 - HB3 LEU 123 far 0 47 0 - 7.6-11.4 QD1 LEU 48 - HB3 LEU 123 far 0 43 0 - 7.6-11.9 QG2 ILE 37 - HB3 LEU 123 far 0 30 0 - 9.5-18.0 Violated in 0 structures by 0.00 A. Peak 1564 from cnoeabs.peaks (8.30, 1.57, 27.00 ppm; 5.21 A): 3 out of 24 assignments used, quality = 1.00: * H LEU 49 + HG LEU 49 OK 100 100 100 100 1.6-2.9 5.0=100 H ALA 21 + HG2 ARG 23 OK 48 99 85 57 4.4-8.1 4.3/10713=23...(12) H LEU 69 + HG LEU 49 OK 31 100 35 89 5.7-8.6 11056/2.1=50...(15) H ALA 28 - HG2 ARG 23 far 11 72 15 - 5.0-14.8 H VAL 126 - HG LEU 123 far 10 70 15 - 5.9-7.6 H ALA 110 - HG2 ARG 23 far 5 100 5 - 5.6-44.5 H GLY 17 - HG2 ARG 23 far 4 88 5 - 5.5-14.9 H ALA 110 - HG LEU 103 far 4 39 10 - 5.3-12.3 H LEU 49 - HG LEU 123 far 4 78 5 - 6.5-10.5 H GLY 111 - HG LEU 103 far 2 39 5 - 4.5-11.5 H VAL 126 - HG LEU 49 far 0 96 0 - 6.8-9.6 H ALA 28 - HG LEU 49 far 0 73 0 - 7.4-21.4 H ALA 28 - HG LEU 103 far 0 23 0 - 7.7-22.9 H SER 99 - HG LEU 103 far 0 35 0 - 8.1-10.1 H LEU 43 - HG LEU 49 far 0 92 0 - 8.7-9.7 H GLU 40 - HG2 ARG 23 far 0 77 0 - 8.9-34.2 H GLY 111 - HG2 ARG 23 far 0 100 0 - 8.9-42.2 H GLY 17 - HG LEU 123 far 0 63 0 - 9.1-38.4 H SER 99 - HG LEU 123 far 0 71 0 - 9.3-13.2 H LEU 69 - HG LEU 123 far 0 77 0 - 9.3-13.8 H TYR 72 - HG LEU 49 far 0 85 0 - 9.4-11.9 H LEU 49 - HG2 ARG 23 far 0 100 0 - 9.8-28.6 H GLY 17 - HG LEU 49 far 0 89 0 - 9.8-32.5 H LEU 96 - HG LEU 123 far 0 42 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1565 from cnoeabs.peaks (4.11, 1.57, 27.00 ppm; 5.78 A): 6 out of 19 assignments used, quality = 1.00: * HA LEU 49 + HG LEU 49 OK 100 100 100 100 3.6-3.8 3.7=100 HA LEU 48 + HG LEU 49 OK 100 100 100 100 5.1-5.9 3.6/6606=84, 3.8/9205=65...(27) HA CYS 45 + HG LEU 49 OK 88 92 100 96 4.6-6.1 9155/10992=56...(14) HA LEU 49 + HG LEU 123 OK 64 78 85 97 4.9-8.9 3.0/1560=39, 3.0/1551=27...(23) HA GLN 104 + HG LEU 103 OK 29 29 100 100 3.1-5.2 ~7491=70, ~7488=52...(24) HA GLN 101 + HG LEU 103 OK 25 39 75 86 6.3-7.9 11399/3.0=41...(8) HA ILE 32 - HG2 ARG 23 far 10 100 10 - 6.6-22.6 HA ALA 52 - HG LEU 123 poor 10 48 20 - 6.7-10.0 HA ALA 52 - HG2 ARG 23 far 3 70 5 - 6.8-31.6 HA LEU 98 - HG2 ARG 23 far 0 100 0 - 7.5-36.6 HA ALA 52 - HG LEU 49 far 0 71 0 - 8.1-8.7 HA LEU 48 - HG2 ARG 23 far 0 100 0 - 8.3-31.3 HA3 GLY 114 - HG LEU 123 far 0 63 0 - 8.4-17.0 HA3 GLY 114 - HG LEU 103 far 0 30 0 - 8.8-13.7 HA GLN 104 - HG2 ARG 23 far 0 86 0 - 8.9-33.8 HA LEU 48 - HG LEU 123 far 0 77 0 - 8.9-12.8 HA LEU 98 - HG LEU 103 far 0 39 0 - 9.4-10.9 HA LEU 49 - HG2 ARG 23 far 0 100 0 - 9.9-27.3 HA CYS 45 - HG2 ARG 23 far 0 91 0 - 10.0-27.7 Violated in 0 structures by 0.00 A. Peak 1566 from cnoeabs.peaks (1.50, 1.57, 27.00 ppm; 4.35 A): 5 out of 13 assignments used, quality = 1.00: * HB2 LEU 49 + HG LEU 49 OK 100 100 100 100 2.5-2.7 3.0=100 QB ALA 52 + HG LEU 49 OK 74 87 95 90 5.3-5.9 9247/6606=32...(15) HG LEU 69 + HG LEU 49 OK 47 89 55 97 3.6-6.8 ~11061=43, 1574/2.1=41...(21) HB2 LEU 49 + HG LEU 123 OK 35 78 45 100 4.7-9.3 1.8/1560=32, 1551=24...(56) HB2 LEU 53 + HG LEU 123 OK 27 50 80 67 1.9-6.7 ~11846=12, ~11727=11...(18) QB ALA 52 - HG LEU 123 poor 19 61 45 68 4.0-8.6 9231/2.1=18...(15) HB2 LEU 53 - HG LEU 49 far 0 73 0 - 6.4-9.1 QB ALA 52 - HG2 ARG 23 far 0 86 0 - 7.0-24.6 HG LEU 69 - HG LEU 123 far 0 63 0 - 7.1-11.9 HG LEU 42 - HG LEU 49 far 0 97 0 - 7.6-10.4 QB ALA 52 - HG LEU 103 far 0 29 0 - 8.4-13.4 HB2 LEU 53 - HG LEU 103 far 0 23 0 - 9.3-16.7 HB2 LEU 49 - HG LEU 103 far 0 39 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 1567 from cnoeabs.peaks (1.92, 1.57, 27.00 ppm; 4.25 A): 6 out of 17 assignments used, quality = 1.00: * HB3 LEU 49 + HG LEU 49 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 49 + HG LEU 123 OK 54 78 70 99 3.5-7.6 1560=38, 3.2/1584=23...(56) HB3 LEU 48 + HG LEU 49 OK 50 78 65 98 4.4-6.4 3.1/9205=52, 4.6/6606=41...(32) HG LEU 53 + HG LEU 49 OK 41 83 50 98 4.2-8.2 1583/2.1=34, 1575/2.1=23...(40) HB3 LEU 123 + HG LEU 123 OK 34 34 100 100 2.2-2.8 3.0=100 HG LEU 53 + HG LEU 123 OK 28 57 75 66 1.7-6.9 ~11422=13, ~11639=12...(19) HB3 LEU 123 - HG LEU 49 far 0 53 0 - 6.0-9.6 HB2 PRO 113 - HG LEU 103 far 0 38 0 - 6.3-13.8 HB3 LEU 48 - HG2 ARG 23 far 0 77 0 - 6.5-30.2 HG2 PRO 113 - HG LEU 103 far 0 31 0 - 7.2-15.3 HB2 PRO 113 - HG LEU 123 far 0 76 0 - 7.8-17.0 HG LEU 53 - HG LEU 103 far 0 27 0 - 8.3-17.5 HB2 GLU 40 - HG2 ARG 23 far 0 88 0 - 8.8-35.2 HB2 MET 11 - HG2 ARG 23 far 0 98 0 - 8.9-21.4 HB3 LEU 48 - HG LEU 123 far 0 54 0 - 9.0-13.7 HB3 LEU 49 - HG LEU 103 far 0 39 0 - 9.6-14.3 HG2 PRO 113 - HG LEU 123 far 0 64 0 - 9.7-18.4 Violated in 0 structures by 0.00 A. Peak 1568 from cnoeabs.peaks (1.57, 1.57, 27.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 49 + HG LEU 49 OK 100 100 - 100 HG2 ARG 23 + HG2 ARG 23 OK 100 100 - 100 HG LEU 123 + HG LEU 123 OK 76 76 - 100 HG LEU 103 + HG LEU 103 OK 31 31 - 100 Peak 1569 from cnoeabs.peaks (0.80, 1.57, 27.00 ppm; 3.03 A): 7 out of 35 assignments used, quality = 1.00: * QD2 LEU 49 + HG LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 122 + HG LEU 123 OK 36 72 75 67 2.5-6.3 11422/2.1=17...(21) QD1 LEU 103 + HG LEU 103 OK 32 32 100 100 2.1-2.1 2.1=100 QD1 LEU 53 + HG LEU 123 OK 31 77 75 53 1.9-5.2 11422/2.1=13...(18) QD2 LEU 119 + HG LEU 123 OK 26 77 55 63 2.3-8.4 3791=9, 3792/3.0=8...(21) QG1 VAL 63 + HG LEU 103 OK 25 33 85 90 2.9-4.8 ~11832=16, ~11835=16...(29) QD1 LEU 53 + HG LEU 49 OK 21 100 25 84 3.7-7.3 1585/2.1=15, 1674/3.0=14...(33) QD2 LEU 122 - HG LEU 123 poor 14 72 30 66 2.0-6.8 11422/2.1=14...(23) QD2 LEU 49 - HG LEU 123 far 4 78 5 - 4.4-7.0 QD2 LEU 122 - HG LEU 103 far 4 36 10 - 4.2-8.1 QD1 LEU 122 - HG LEU 103 far 2 36 5 - 3.9-7.7 QD2 LEU 119 - HG LEU 103 far 0 39 0 - 4.7-8.7 QD1 LEU 122 - HG LEU 49 far 0 97 0 - 5.0-8.4 QD2 LEU 122 - HG LEU 49 far 0 97 0 - 5.3-9.2 QD1 ILE 32 - HG LEU 49 far 0 83 0 - 5.3-12.4 QD1 ILE 32 - HG2 ARG 23 far 0 82 0 - 5.6-16.6 QD1 LEU 70 - HG LEU 49 far 0 78 0 - 6.0-11.5 QD1 LEU 70 - HG LEU 123 far 0 54 0 - 6.1-12.2 QD1 ILE 37 - HG LEU 49 far 0 87 0 - 6.2-13.2 QD1 LEU 70 - HG LEU 103 far 0 25 0 - 6.3-10.7 QD1 LEU 53 - HG LEU 103 far 0 39 0 - 6.5-14.3 QD1 LEU 96 - HG LEU 49 far 0 71 0 - 6.7-10.0 QD2 LEU 119 - HG LEU 49 far 0 100 0 - 6.8-14.5 QD1 LEU 96 - HG LEU 103 far 0 22 0 - 7.3-11.9 QG2 ILE 129 - HG LEU 49 far 0 71 0 - 7.3-10.0 QG1 VAL 63 - HG LEU 123 far 0 67 0 - 7.6-12.6 QD1 LEU 96 - HG LEU 123 far 0 48 0 - 7.8-10.2 QD1 LEU 103 - HG LEU 123 far 0 66 0 - 7.9-10.5 QG1 VAL 63 - HG2 ARG 23 far 0 92 0 - 8.2-24.2 QD1 ILE 32 - HG LEU 123 far 0 57 0 - 8.3-16.2 QD1 ILE 37 - HG2 ARG 23 far 0 86 0 - 8.3-23.4 QD2 LEU 49 - HG LEU 103 far 0 39 0 - 8.3-12.1 QD1 ILE 32 - HG LEU 103 far 0 27 0 - 8.4-15.6 QD1 ILE 37 - HG LEU 123 far 0 61 0 - 8.5-17.6 QG1 VAL 63 - HG LEU 49 far 0 93 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 1570 from cnoeabs.peaks (0.91, 1.57, 27.00 ppm; 3.45 A): 14 out of 42 assignments used, quality = 1.00: * QD1 LEU 49 + HG LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 48 + HG LEU 49 OK 97 100 100 97 3.1-4.5 9205=68, 10957/11025=27...(35) QD1 LEU 123 + HG LEU 123 OK 66 66 100 100 2.1-2.1 2.1=100 QD1 LEU 49 + HG LEU 123 OK 64 78 85 97 3.1-5.5 3950/2.1=30, 1584=29...(37) QD2 LEU 123 + HG LEU 49 OK 51 63 85 95 3.5-7.4 3948=22, 2.1/3956=17...(43) QG2 VAL 20 + HG2 ARG 23 OK 43 79 70 77 2.2-7.6 ~10713=22, 2.1/10713=21...(17) QD2 LEU 123 + HG LEU 123 OK 42 42 100 100 2.1-2.1 2.1=100 QD1 LEU 48 + HG LEU 49 OK 41 97 45 94 2.1-5.9 2.1/9205=48...(35) QD1 LEU 123 + HG LEU 49 OK 41 92 45 98 3.8-6.5 2.1/3948=35, 3956=19...(45) QG2 VAL 63 + HG LEU 103 OK 38 39 100 98 1.9-3.2 11822/2.1=34...(32) QD1 LEU 62 + HG LEU 123 OK 36 78 50 93 2.4-7.9 ~10347=33, ~10347=21...(27) QG1 VAL 118 + HG LEU 103 OK 30 34 90 99 3.3-8.1 10261=43, ~10069=36...(25) QG1 VAL 20 + HG2 ARG 23 OK 21 99 25 84 2.4-8.1 10713/1.8=38, 10713=30...(17) QD1 LEU 62 + HG LEU 103 OK 21 39 70 76 2.6-7.5 11722/2.1=21, ~11823=20...(19) QD1 LEU 22 - HG2 ARG 23 poor 17 86 30 68 2.6-7.8 6201/6205=15...(21) QG1 VAL 118 - HG LEU 123 far 3 69 5 - 4.2-8.7 QD1 LEU 119 - HG LEU 123 far 2 40 5 - 4.7-7.7 QG2 VAL 112 - HG LEU 103 far 0 35 0 - 5.5-13.6 QG1 VAL 20 - HG LEU 49 far 0 100 0 - 5.6-25.4 QG2 VAL 63 - HG LEU 123 far 0 77 0 - 6.0-11.5 QD2 LEU 48 - HG LEU 123 far 0 77 0 - 6.2-9.8 QG2 ILE 37 - HG LEU 49 far 0 76 0 - 6.2-13.0 QG2 ILE 37 - HG2 ARG 23 far 0 75 0 - 6.2-23.9 QG2 VAL 20 - HG LEU 49 far 0 81 0 - 6.3-24.0 QD1 LEU 48 - HG LEU 123 far 0 71 0 - 6.3-11.1 QD1 LEU 48 - HG2 ARG 23 far 0 96 0 - 6.5-23.4 QD1 LEU 62 - HG LEU 49 far 0 100 0 - 6.5-9.2 QD2 LEU 48 - HG2 ARG 23 far 0 99 0 - 7.2-23.0 QG1 VAL 118 - HG LEU 49 far 0 95 0 - 8.1-12.4 QD1 LEU 123 - HG LEU 103 far 0 32 0 - 8.2-12.1 QG1 VAL 20 - HG LEU 123 far 0 76 0 - 8.3-30.7 QG1 VAL 118 - HG2 ARG 23 far 0 94 0 - 8.6-27.9 QG2 ILE 37 - HG LEU 123 far 0 52 0 - 8.7-17.7 QG2 VAL 63 - HG LEU 49 far 0 100 0 - 8.8-11.6 QD1 LEU 22 - HG LEU 103 far 0 29 0 - 9.2-29.1 QD1 LEU 119 - HG LEU 49 far 0 60 0 - 9.4-12.8 QD1 LEU 49 - HG LEU 103 far 0 39 0 - 9.4-12.7 QG2 VAL 63 - HG2 ARG 23 far 0 100 0 - 9.6-25.5 QG2 VAL 20 - HG LEU 123 far 0 55 0 - 9.7-28.4 QD1 LEU 48 - HG LEU 103 far 0 35 0 - 9.8-18.7 QD2 LEU 48 - HG LEU 103 far 0 39 0 - 9.8-17.1 QD1 LEU 119 - HG2 ARG 23 far 0 59 0 - 9.9-29.3 Violated in 0 structures by 0.00 A. Peak 1572 from cnoeabs.peaks (8.30, 0.80, 26.96 ppm; 4.17 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 49 OK 100 100 100 100 3.1-3.6 6607=81, 6606/2.1=65...(38) H LEU 69 + QD2 LEU 49 OK 95 100 100 95 3.0-5.4 11056=40, 4.9/11061=27...(24) H VAL 126 + QD2 LEU 49 OK 43 96 60 76 4.4-7.0 4.0/11681=22...(16) H TYR 72 - QD2 LEU 49 far 0 85 0 - 6.2-8.3 H ALA 28 - QD2 LEU 49 far 0 73 0 - 7.3-16.1 H LEU 43 - QD2 LEU 49 far 0 92 0 - 7.4-8.8 H LEU 96 - QD2 LEU 49 far 0 63 0 - 7.8-10.2 H SER 99 - QD2 LEU 49 far 0 97 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 1573 from cnoeabs.peaks (4.11, 0.80, 26.96 ppm; 3.85 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 49 + QD2 LEU 49 OK 100 100 100 100 3.9-4.1 3.9=94, 1581/2.1=61...(21) HA CYS 45 + QD2 LEU 49 OK 62 92 85 79 4.0-5.9 4.8/10951=25...(18) HA LEU 48 - QD2 LEU 49 far 0 100 0 - 6.0-6.5 HA ILE 32 - QD2 LEU 49 far 0 100 0 - 7.9-13.7 HA ALA 52 - QD2 LEU 49 far 0 71 0 - 8.0-8.5 HA GLN 101 - QD2 LEU 49 far 0 100 0 - 8.3-12.3 HA GLN 104 - QD2 LEU 49 far 0 87 0 - 9.4-13.8 HA PHE 89 - QD2 LEU 49 far 0 81 0 - 9.7-12.1 Violated in 7 structures by 0.02 A. Peak 1574 from cnoeabs.peaks (1.50, 0.80, 26.96 ppm; 3.50 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.0-2.3 3.2=100 HG LEU 69 + QD2 LEU 49 OK 84 89 100 95 1.7-4.3 2.1/11061=43, 11036=33...(28) QB ALA 52 - QD2 LEU 49 far 0 87 0 - 5.2-5.7 HB2 LEU 53 - QD2 LEU 49 far 0 73 0 - 5.4-8.5 HG LEU 42 - QD2 LEU 49 far 0 97 0 - 5.7-8.6 Violated in 0 structures by 0.00 A. Peak 1575 from cnoeabs.peaks (1.92, 0.80, 26.96 ppm; 3.83 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.4-2.7 3.2=100 HG LEU 53 + QD2 LEU 49 OK 40 83 50 96 3.7-8.0 1583/2.1=30, 1667=16...(40) HB3 LEU 48 - QD2 LEU 49 far 12 78 15 - 4.7-6.6 HB3 LEU 123 - QD2 LEU 49 far 8 53 15 - 4.5-7.9 HB2 LYS 95 - QD2 LEU 49 far 0 81 0 - 9.3-12.2 HB3 LYS 95 - QD2 LEU 49 far 0 73 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 1576 from cnoeabs.peaks (1.57, 0.80, 26.96 ppm; 3.23 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 123 - QD2 LEU 49 far 15 100 15 - 4.4-7.0 HG13 ILE 37 - QD2 LEU 49 far 0 97 0 - 6.5-13.0 HB3 LEU 42 - QD2 LEU 49 far 0 63 0 - 6.5-9.5 HB2 LEU 119 - QD2 LEU 49 far 0 65 0 - 7.3-10.3 HG LEU 103 - QD2 LEU 49 far 0 90 0 - 8.3-12.1 HB2 LEU 103 - QD2 LEU 49 far 0 100 0 - 8.8-12.8 Violated in 0 structures by 0.00 A. Peak 1577 from cnoeabs.peaks (0.80, 0.80, 26.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 49 + QD2 LEU 49 OK 100 100 - 100 Peak 1578 from cnoeabs.peaks (0.91, 0.80, 26.96 ppm; 2.74 A): 5 out of 12 assignments used, quality = 1.00: * QD1 LEU 49 + QD2 LEU 49 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 48 + QD2 LEU 49 OK 51 100 70 74 3.0-4.6 9205/2.1=30...(28) QD2 LEU 123 + QD2 LEU 49 OK 49 63 95 83 1.7-6.1 11422=17, 3948/2.1=12...(42) QD1 LEU 123 + QD2 LEU 49 OK 37 92 45 89 3.4-5.7 2.1/11422=21...(43) QD1 LEU 48 + QD2 LEU 49 OK 31 97 45 72 2.4-6.1 ~9205=15, ~9205=10...(30) QG2 ILE 37 - QD2 LEU 49 far 4 76 5 - 4.0-10.0 QD1 LEU 62 - QD2 LEU 49 far 0 100 0 - 5.1-7.2 QG1 VAL 118 - QD2 LEU 49 far 0 95 0 - 5.5-8.9 QG1 VAL 20 - QD2 LEU 49 far 0 100 0 - 6.0-21.4 QG2 VAL 63 - QD2 LEU 49 far 0 100 0 - 6.1-8.3 QG2 VAL 20 - QD2 LEU 49 far 0 81 0 - 6.3-19.4 QD1 LEU 119 - QD2 LEU 49 far 0 60 0 - 7.6-9.9 Violated in 0 structures by 0.00 A. Peak 1579 from cnoeabs.peaks (8.66, 0.80, 26.96 ppm; 4.87 A): 2 out of 2 assignments used, quality = 1.00: * H SER 50 + QD2 LEU 49 OK 100 100 100 100 3.9-4.2 3.2/6607=62, 6621=54...(45) H HIS 67 + QD2 LEU 49 OK 83 100 90 92 4.7-6.6 3.6/9208=39, 3.6/9208=37...(16) Violated in 0 structures by 0.00 A. Peak 1580 from cnoeabs.peaks (8.30, 0.91, 23.35 ppm; 4.11 A): 2 out of 23 assignments used, quality = 1.00: * H LEU 49 + QD1 LEU 49 OK 100 100 100 100 3.0-4.0 4.7=67, 6606/2.1=63...(32) H VAL 126 + QD1 LEU 49 OK 45 96 85 56 4.3-6.2 1572/2.1=13...(11) H LEU 49 - QD1 LEU 123 poor 18 53 40 86 4.4-7.6 3.9/1562=13...(29) H VAL 126 - QD1 LEU 123 poor 17 47 60 62 4.7-6.9 3916/4.0=35, 3944/2.1=19...(7) H ALA 110 - QG2 VAL 63 far 9 58 15 - 5.0-12.1 H LEU 69 - QD1 LEU 49 far 5 100 5 - 5.2-8.0 H GLY 111 - QG2 VAL 63 far 3 58 5 - 4.8-11.1 H ALA 28 - QG2 VAL 63 far 0 36 0 - 5.8-16.0 H ALA 28 - QD1 LEU 49 far 0 73 0 - 7.8-18.6 H LEU 43 - QD1 LEU 49 far 0 92 0 - 7.9-9.7 H LEU 69 - QG2 VAL 63 far 0 58 0 - 8.0-9.0 H TYR 72 - QD1 LEU 49 far 0 85 0 - 8.0-10.6 H LEU 69 - QD1 LEU 123 far 0 52 0 - 8.1-11.2 H GLY 17 - QD1 LEU 49 far 0 89 0 - 8.2-28.6 H SER 99 - QG2 VAL 63 far 0 53 0 - 8.2-9.7 H LEU 96 - QD1 LEU 49 far 0 63 0 - 8.4-10.0 H LEU 96 - QD1 LEU 123 far 0 27 0 - 8.6-11.1 H GLY 17 - QD1 LEU 123 far 0 42 0 - 8.8-32.0 H LEU 49 - QG2 VAL 63 far 0 58 0 - 8.8-12.5 H VAL 126 - QG2 VAL 63 far 0 52 0 - 9.2-11.6 H LEU 43 - QD1 LEU 123 far 0 44 0 - 9.3-13.7 H SER 99 - QD1 LEU 49 far 0 97 0 - 9.5-11.9 H SER 99 - QD1 LEU 123 far 0 48 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1581 from cnoeabs.peaks (4.11, 0.91, 23.35 ppm; 3.45 A): 3 out of 18 assignments used, quality = 0.99: * HA LEU 49 + QD1 LEU 49 OK 98 100 100 98 3.3-3.8 4.1=61, 1541/2.1=41...(23) HA GLN 104 + QG2 VAL 63 OK 39 45 90 98 1.8-5.3 3.9/11521=40...(21) HA LEU 49 + QD1 LEU 123 OK 22 53 50 82 3.1-7.5 3153/2.1=13, 1542=12...(28) HA ALA 52 - QD1 LEU 123 far 5 31 15 - 4.8-8.9 HA GLN 101 - QG2 VAL 63 far 0 58 0 - 5.5-7.6 HA LEU 48 - QD1 LEU 49 far 0 100 0 - 5.6-6.1 HA CYS 45 - QD1 LEU 49 far 0 92 0 - 5.7-7.1 HA ALA 52 - QD1 LEU 49 far 0 71 0 - 6.0-7.3 HA LEU 48 - QD1 LEU 123 far 0 53 0 - 6.6-9.4 HA3 GLY 114 - QG2 VAL 63 far 0 46 0 - 6.9-12.5 HA CYS 45 - QD1 LEU 123 far 0 44 0 - 7.6-11.4 HA LEU 49 - QG2 VAL 63 far 0 58 0 - 7.6-11.2 HA3 GLY 114 - QD1 LEU 123 far 0 42 0 - 7.8-16.1 HA LEU 98 - QG2 VAL 63 far 0 58 0 - 9.1-11.0 HA ALA 52 - QG2 VAL 63 far 0 34 0 - 9.5-13.0 HA PHE 89 - QD1 LEU 49 far 0 81 0 - 9.6-12.3 HA3 GLY 114 - QD1 LEU 49 far 0 89 0 - 9.6-17.0 HA ILE 32 - QG2 VAL 63 far 0 58 0 - 9.9-16.3 Violated in 1 structures by 0.00 A. Peak 1582 from cnoeabs.peaks (1.50, 0.91, 23.35 ppm; 3.41 A): 5 out of 14 assignments used, quality = 1.00: * HB2 LEU 49 + QD1 LEU 49 OK 100 100 100 100 3.1-3.2 3.2=100 QB ALA 52 + QD1 LEU 49 OK 52 87 75 80 3.9-5.2 9231=22, 9247/4.7=19...(16) HG LEU 69 + QD1 LEU 49 OK 38 89 50 86 3.0-5.9 1574/2.1=29, ~11061=27...(24) HB2 LEU 53 + QD1 LEU 49 OK 32 73 50 88 3.5-6.4 3.0/1583=20, 3.1/1585=13...(36) HB2 LEU 49 + QD1 LEU 123 OK 23 53 45 96 3.3-7.6 1.8/1562=15, ~1560=13...(57) QB ALA 52 - QD1 LEU 123 poor 18 40 45 - 2.7-7.5 HB2 LEU 53 - QD1 LEU 123 poor 18 32 90 61 1.9-5.8 3.0/11727=12...(21) HG LEU 69 - QD1 LEU 123 far 0 42 0 - 4.9-9.6 QB ALA 52 - QG2 VAL 63 far 0 45 0 - 6.6-9.5 HB2 LEU 49 - QG2 VAL 63 far 0 58 0 - 6.7-10.4 HG LEU 42 - QD1 LEU 49 far 0 97 0 - 7.0-9.8 HB2 LEU 53 - QG2 VAL 63 far 0 36 0 - 7.4-12.7 HG LEU 69 - QG2 VAL 63 far 0 46 0 - 8.5-11.5 HG LEU 42 - QD1 LEU 123 far 0 48 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 1583 from cnoeabs.peaks (1.92, 0.91, 23.35 ppm; 4.10 A): 6 out of 20 assignments used, quality = 1.00: * HB3 LEU 49 + QD1 LEU 49 OK 100 100 100 100 2.0-2.3 3.2=100 HG LEU 53 + QD1 LEU 49 OK 80 83 100 97 2.0-5.6 1575/2.1=22, 2.1/1585=20...(38) HB3 LEU 123 + QD1 LEU 49 OK 47 53 90 99 3.0-6.0 3.2/3950=28, 1.8/3925=27...(50) HB3 LEU 49 + QD1 LEU 123 OK 37 53 70 99 1.8-6.5 1560/2.1=27, 1562=24...(61) HG LEU 53 + QD1 LEU 123 OK 28 38 95 78 1.6-6.1 4.3/11727=13, ~11422=12...(24) HB3 LEU 123 + QD1 LEU 123 OK 22 22 100 100 1.9-3.1 3.2=100 HB3 LEU 48 - QD1 LEU 49 far 4 78 5 - 5.4-6.8 HB2 PRO 113 - QG2 VAL 63 far 0 57 0 - 5.6-12.1 HB3 LEU 48 - QD1 LEU 123 far 0 35 0 - 6.4-10.3 HG2 PRO 113 - QG2 VAL 63 far 0 47 0 - 6.5-13.3 HB3 LEU 123 - QG2 VAL 63 far 0 25 0 - 7.2-11.7 HB3 LEU 49 - QG2 VAL 63 far 0 58 0 - 7.3-9.7 HG LEU 53 - QG2 VAL 63 far 0 42 0 - 7.5-12.7 HB2 PRO 113 - QD1 LEU 123 far 0 52 0 - 7.9-16.0 HB2 LYS 95 - QD1 LEU 123 far 0 36 0 - 9.1-11.6 HB3 LYS 95 - QD1 LEU 123 far 0 32 0 - 9.2-12.2 HB2 LYS 95 - QD1 LEU 49 far 0 81 0 - 9.4-11.6 HB3 LEU 48 - QG2 VAL 63 far 0 39 0 - 9.4-14.5 HG2 PRO 113 - QD1 LEU 123 far 0 43 0 - 9.4-17.1 HB3 LYS 95 - QD1 LEU 49 far 0 73 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1584 from cnoeabs.peaks (1.57, 0.91, 23.35 ppm; 3.43 A): 6 out of 19 assignments used, quality = 1.00: * HG LEU 49 + QD1 LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 123 + QD1 LEU 49 OK 81 100 85 96 3.1-5.5 2.1/3950=29, 3.0/3934=19...(40) HG LEU 123 + QD1 LEU 123 OK 52 52 100 100 2.1-2.1 2.1=100 HB2 LEU 103 + QG2 VAL 63 OK 50 57 90 97 4.0-5.3 3.1/11822=26...(34) HG LEU 103 + QG2 VAL 63 OK 46 47 100 97 1.9-3.2 2.1/11822=34, ~11832=22...(31) HG LEU 49 + QD1 LEU 123 OK 23 53 45 97 3.8-6.5 3948/2.1=35, ~3950=16...(47) HB2 LEU 119 - QD1 LEU 123 poor 10 28 35 - 3.1-7.4 HB2 LEU 119 - QG2 VAL 63 far 0 31 0 - 5.4-9.7 HB2 LEU 119 - QD1 LEU 49 far 0 65 0 - 5.9-9.9 HG LEU 123 - QG2 VAL 63 far 0 57 0 - 6.0-11.5 HB3 LEU 42 - QD1 LEU 49 far 0 63 0 - 7.3-10.2 HG LEU 103 - QD1 LEU 123 far 0 43 0 - 8.2-12.1 HB3 LEU 42 - QD1 LEU 123 far 0 27 0 - 8.6-13.4 HG LEU 49 - QG2 VAL 63 far 0 58 0 - 8.8-11.6 HG13 ILE 37 - QD1 LEU 49 far 0 97 0 - 9.1-15.1 HB2 LEU 103 - QD1 LEU 123 far 0 52 0 - 9.1-12.1 HG LEU 103 - QD1 LEU 49 far 0 90 0 - 9.4-12.7 HB2 LEU 103 - QD1 LEU 49 far 0 100 0 - 9.4-13.2 HG2 ARG 23 - QG2 VAL 63 far 0 58 0 - 9.6-25.5 Violated in 0 structures by 0.00 A. Peak 1585 from cnoeabs.peaks (0.80, 0.91, 23.35 ppm; 2.57 A): 5 out of 35 assignments used, quality = 1.00: * QD2 LEU 49 + QD1 LEU 49 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 53 + QD1 LEU 49 OK 56 100 90 62 1.7-4.5 2.1/1583=13, 1674/3.2=9...(22) QG1 VAL 63 + QG2 VAL 63 OK 50 50 100 100 1.9-2.1 2.1=100 QD1 LEU 103 + QG2 VAL 63 OK 43 49 100 89 1.7-4.1 2.1/11822=22...(39) QD1 LEU 53 + QD1 LEU 123 OK 22 53 90 46 1.8-4.3 11422/2.1=10...(19) QD2 LEU 49 - QD1 LEU 123 poor 18 53 40 83 3.4-5.7 11422/2.1=19, 1578=14...(39) QD2 LEU 119 - QG2 VAL 63 poor 17 58 30 - 2.9-8.7 QD2 LEU 122 - QG2 VAL 63 poor 13 54 25 - 3.0-6.9 QD1 LEU 122 - QG2 VAL 63 poor 11 54 20 - 3.0-6.9 QD1 LEU 122 - QD1 LEU 123 poor 10 49 20 - 3.8-5.5 QD2 LEU 119 - QD1 LEU 123 far 8 52 15 - 2.9-8.4 QD1 LEU 122 - QD1 LEU 49 lone 7 97 45 16 2.8-5.5 1561/3.2=3, 1552/3.2=2...(8) QD2 LEU 122 - QD1 LEU 123 far 5 49 10 - 3.3-5.9 QD2 LEU 122 - QD1 LEU 49 lone 4 97 30 13 3.0-6.5 ~1561=2, 11571/3925=2...(7) QD1 LEU 70 - QD1 LEU 49 far 0 78 0 - 4.8-9.1 QD2 LEU 119 - QD1 LEU 49 far 0 100 0 - 5.0-10.6 QD1 LEU 96 - QD1 LEU 49 far 0 71 0 - 5.2-7.7 QD1 ILE 32 - QG2 VAL 63 far 0 42 0 - 5.3-11.3 QD1 LEU 70 - QG2 VAL 63 far 0 39 0 - 5.4-8.1 QD1 LEU 53 - QG2 VAL 63 far 0 58 0 - 5.6-10.4 QG2 ILE 129 - QD1 LEU 49 far 0 71 0 - 5.9-8.2 QD1 ILE 32 - QD1 LEU 49 far 0 83 0 - 5.9-11.2 QD1 LEU 70 - QD1 LEU 123 far 0 35 0 - 6.1-10.4 QD2 LEU 49 - QG2 VAL 63 far 0 58 0 - 6.1-8.3 QD1 ILE 37 - QD1 LEU 49 far 0 87 0 - 6.3-11.8 QD1 LEU 96 - QG2 VAL 63 far 0 34 0 - 6.4-9.3 QD1 LEU 96 - QD1 LEU 123 far 0 31 0 - 6.9-9.4 QD1 ILE 37 - QD1 LEU 123 far 0 40 0 - 7.4-14.5 QG1 VAL 63 - QD1 LEU 123 far 0 45 0 - 7.6-11.7 QG1 VAL 63 - QD1 LEU 49 far 0 93 0 - 7.7-9.3 QD1 ILE 32 - QD1 LEU 123 far 0 38 0 - 7.8-13.5 QG2 ILE 129 - QD1 LEU 123 far 0 31 0 - 7.9-10.9 QD1 LEU 103 - QD1 LEU 123 far 0 44 0 - 8.0-10.2 QD1 LEU 103 - QD1 LEU 49 far 0 92 0 - 8.5-11.4 QD1 ILE 37 - QG2 VAL 63 far 0 45 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 1586 from cnoeabs.peaks (0.91, 0.91, 23.35 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 49 + QD1 LEU 49 OK 100 100 - 100 QG2 VAL 63 + QG2 VAL 63 OK 58 58 - 100 QD1 LEU 123 + QD1 LEU 123 OK 44 44 - 100 Peak 1587 from cnoeabs.peaks (8.66, 0.91, 23.35 ppm; 4.82 A): 4 out of 7 assignments used, quality = 1.00: * H SER 50 + QD1 LEU 49 OK 100 100 100 100 1.9-2.7 3.6/1581=61, 6619/3.2=52...(41) H SER 60 + QG2 VAL 63 OK 56 56 100 100 4.2-5.6 ~10978=56, ~2020=55...(21) H HIS 67 + QG2 VAL 63 OK 54 58 100 93 4.5-5.4 6860/3.2=44, 9460/2.1=29...(13) H SER 50 + QD1 LEU 123 OK 52 53 100 98 3.2-6.0 ~11636=36, 2.9/11874=34...(32) H HIS 67 - QD1 LEU 49 far 0 100 0 - 6.3-8.8 H HIS 67 - QD1 LEU 123 far 0 53 0 - 7.5-11.3 H SER 60 - QD1 LEU 123 far 0 51 0 - 8.9-15.2 Violated in 0 structures by 0.00 A. Peak 1588 from cnoeabs.peaks (8.66, 4.00, 62.52 ppm; 3.98 A): 2 out of 9 assignments used, quality = 1.00: * H SER 50 + HA SER 50 OK 100 100 100 100 2.8-2.8 2.9=100 H SER 50 + HB3 SER 51 OK 67 71 100 94 4.5-5.4 ~1616=40, 6645/4.6=30...(19) H HIS 8 - HB3 SER 51 far 0 71 0 - 6.5-52.5 H SER 60 - HA VAL 20 far 0 92 0 - 7.7-33.1 H SER 50 - HA VAL 20 far 0 95 0 - 8.4-31.7 H HIS 8 - HA VAL 20 far 0 94 0 - 8.9-31.0 H LYS 39 - HA VAL 20 far 0 57 0 - 9.2-32.4 H SER 50 - HB2 SER 124 far 0 100 0 - 9.7-12.8 H HIS 67 - HA SER 50 far 0 100 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 1589 from cnoeabs.peaks (4.00, 4.00, 62.52 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA SER 50 + HA SER 50 OK 100 100 - 100 HB2 SER 124 + HB2 SER 124 OK 100 100 - 100 HA VAL 20 + HA VAL 20 OK 93 93 - 100 HB3 SER 51 + HB3 SER 51 OK 60 60 - 100 Peak 1590 from cnoeabs.peaks (3.84, 4.00, 62.52 ppm; 3.53 A): 1 out of 14 assignments used, quality = 1.00: * HB2 SER 50 + HA SER 50 OK 100 100 100 100 2.2-2.6 3.0=100 HA LEU 123 - HA SER 50 poor 19 97 20 - 4.6-6.4 HB2 SER 50 - HB3 SER 51 far 0 71 0 - 5.5-6.9 HA LEU 123 - HB2 SER 124 far 0 97 0 - 6.0-6.4 HD3 PRO 58 - HA VAL 20 far 0 78 0 - 6.8-33.9 HB2 SER 130 - HA SER 50 far 0 90 0 - 6.9-10.1 HB3 SER 33 - HA VAL 20 far 0 85 0 - 7.5-27.7 HA VAL 118 - HB2 SER 124 far 0 78 0 - 7.8-8.7 HA LEU 62 - HA SER 50 far 0 99 0 - 7.8-9.6 HB2 SER 50 - HB2 SER 124 far 0 100 0 - 8.2-11.2 HA LEU 62 - HA VAL 20 far 0 92 0 - 8.7-30.3 HA LEU 62 - HB3 SER 51 far 0 68 0 - 8.9-12.4 HB2 SER 130 - HB3 SER 51 far 0 59 0 - 9.6-13.1 HA LEU 123 - HB3 SER 51 far 0 66 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1591 from cnoeabs.peaks (3.89, 4.00, 62.52 ppm; 3.91 A): 2 out of 14 assignments used, quality = 1.00: * HB3 SER 50 + HA SER 50 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 SER 50 + HB3 SER 51 OK 45 71 80 79 3.9-6.2 1607/3.8=28, 1604=24...(14) HA ALA 46 - HA SER 50 poor 20 99 20 - 5.2-7.0 HA2 GLY 2 - HA SER 50 far 5 100 5 - 4.8-71.1 HA2 GLY 2 - HB3 SER 51 far 4 70 5 - 5.1-70.8 HA3 GLY 2 - HB3 SER 51 far 0 70 0 - 6.1-71.1 HA3 GLY 2 - HA SER 50 far 0 100 0 - 6.4-71.4 HB2 SER 33 - HA VAL 20 far 0 67 0 - 7.3-26.8 HB3 SER 60 - HA VAL 20 far 0 74 0 - 7.5-31.6 HB2 SER 60 - HA VAL 20 far 0 74 0 - 7.7-32.3 HA ALA 46 - HB3 SER 51 far 0 69 0 - 7.9-9.2 HB3 SER 50 - HB2 SER 124 far 0 100 0 - 9.4-12.3 HA ALA 46 - HB2 SER 124 far 0 99 0 - 9.6-13.3 HB3 SER 50 - HA VAL 20 far 0 95 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 1592 from cnoeabs.peaks (7.98, 4.00, 62.52 ppm; 4.69 A): 3 out of 11 assignments used, quality = 1.00: * H SER 51 + HA SER 50 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 51 + HB3 SER 51 OK 71 71 100 100 2.1-3.0 3.8=100 H THR 18 + HA VAL 20 OK 31 89 60 58 5.1-8.4 6144/10699=23, ~10685=22...(7) H THR 18 - HB3 SER 51 far 3 65 5 - 3.7-35.3 H ILE 129 - HB2 SER 124 far 0 84 0 - 7.0-8.7 H SER 51 - HA VAL 20 far 0 95 0 - 7.4-33.2 H SER 38 - HA VAL 20 far 0 94 0 - 7.8-29.2 H ILE 129 - HA SER 50 far 0 85 0 - 8.2-11.0 H THR 18 - HA SER 50 far 0 97 0 - 9.0-36.6 H LYS 36 - HA VAL 20 far 0 88 0 - 9.2-28.8 H ILE 37 - HA VAL 20 far 0 80 0 - 9.6-28.0 Violated in 0 structures by 0.00 A. Peak 1594 from cnoeabs.peaks (1.52, 4.00, 62.52 ppm; 6.01 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 53 + HA SER 50 OK 100 100 100 100 4.0-4.9 1.8/1653=76, 1644=75...(17) HB2 LEU 49 + HA SER 50 OK 73 73 100 100 5.5-5.7 ~6619=54, 3.2/9218=45...(41) HB2 LEU 22 + HA VAL 20 OK 63 67 95 99 3.8-8.9 3.1/10690=79...(11) HB2 LEU 53 - HB2 SER 124 poor 18 100 30 58 5.4-11.5 ~10373=21, ~10373=11...(12) HB2 LEU 49 - HB3 SER 51 poor 16 45 35 - 7.3-8.0 HG LEU 69 - HA SER 50 far 10 99 10 - 7.3-10.4 HB2 LEU 119 - HA SER 50 poor 9 73 35 35 6.0-13.0 1656/1653=12...(5) HB2 LEU 53 - HB3 SER 51 far 0 71 0 - 7.8-8.8 HB2 LEU 119 - HB2 SER 124 far 0 73 0 - 8.3-10.7 HB2 LEU 49 - HA VAL 20 far 0 65 0 - 8.7-27.9 HB2 LEU 22 - HB3 SER 51 far 0 47 0 - 8.8-31.5 HB2 LEU 119 - HB3 SER 51 far 0 45 0 - 9.8-17.8 Violated in 0 structures by 0.00 A. Peak 1595 from cnoeabs.peaks (1.99, 4.00, 62.52 ppm; 4.24 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LEU 53 + HA SER 50 OK 97 100 100 97 2.5-4.3 1.8/1644=54, 1653=50...(18) HB VAL 20 + HA VAL 20 OK 92 92 100 100 2.4-3.0 3.0=100 HB2 GLU 55 - HA VAL 20 far 5 94 5 - 5.5-35.6 HB VAL 20 - HB3 SER 51 far 3 68 5 - 5.7-32.0 HB2 GLN 27 - HA VAL 20 far 3 52 5 - 5.0-18.7 HB3 LEU 53 - HB2 SER 124 far 0 100 0 - 5.8-12.1 HB2 GLU 55 - HB3 SER 51 far 0 71 0 - 6.0-9.6 HB3 MET 11 - HA VAL 20 far 0 52 0 - 6.3-22.6 HB3 GLU 30 - HA VAL 20 far 0 60 0 - 6.4-20.7 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.4-7.8 HB2 GLN 27 - HB3 SER 51 far 0 36 0 - 6.6-29.1 HB2 GLU 55 - HA SER 50 far 0 100 0 - 7.7-10.6 HG2 PRO 56 - HA VAL 20 far 0 85 0 - 8.3-37.8 HB ILE 37 - HA VAL 20 far 0 60 0 - 8.5-28.9 HB ILE 129 - HB2 SER 124 far 0 98 0 - 8.6-10.8 HB3 PRO 117 - HB2 SER 124 far 0 91 0 - 8.6-11.0 HB ILE 129 - HA SER 50 far 0 98 0 - 8.9-11.8 HB2 GLN 27 - HA SER 50 far 0 60 0 - 8.9-27.4 HG3 PRO 56 - HA VAL 20 far 0 85 0 - 9.0-38.8 HB VAL 20 - HA SER 50 far 0 99 0 - 9.2-32.6 Violated in 0 structures by 0.00 A. Peak 1596 from cnoeabs.peaks (4.34, 3.84, 62.56 ppm; 4.89 A): 2 out of 7 assignments used, quality = 0.99: * HA ASP 47 + HB2 SER 50 OK 99 100 100 99 2.6-4.2 1602/1.8=82, 1469=52...(12) HA ASP 47 + HB2 SER 130 OK 29 73 60 67 3.8-7.9 ~10496=17, 1469=16...(9) HA LEU 69 - HB2 SER 130 far 0 65 0 - 6.6-9.7 HA GLN 134 - HB2 SER 130 far 0 67 0 - 7.8-9.2 HA CYS 125 - HB2 SER 130 far 0 65 0 - 8.0-9.1 HA CYS 125 - HB2 SER 50 far 0 96 0 - 8.5-10.7 HA LEU 69 - HB2 SER 50 far 0 96 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 1597 from cnoeabs.peaks (8.66, 3.84, 62.56 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * H SER 50 + HB2 SER 50 OK 100 100 100 100 2.3-3.5 3.9=100 H SER 50 - HB2 SER 130 far 0 73 0 - 6.1-9.1 H LYS 39 - HB2 SER 130 far 0 40 0 - 8.7-12.6 H HIS 8 - HB2 SER 50 far 0 100 0 - 9.5-53.6 Violated in 0 structures by 0.00 A. Peak 1598 from cnoeabs.peaks (4.00, 3.84, 62.56 ppm; 3.35 A): 3 out of 11 assignments used, quality = 1.00: * HA SER 50 + HB2 SER 50 OK 100 100 100 100 2.2-2.6 3.0=100 HA GLN 127 + HB2 SER 50 OK 31 65 75 64 2.7-6.4 3.0/1870=11...(17) HA GLN 127 + HB2 SER 130 OK 31 40 100 77 2.8-3.8 4181/1.8=40, 7878/3.9=19...(16) HB3 SER 51 - HB2 SER 50 far 0 92 0 - 5.5-6.9 HA SER 50 - HB2 SER 130 far 0 73 0 - 6.9-10.1 HA LEU 119 - HB2 SER 50 far 0 60 0 - 7.8-14.0 HB2 SER 124 - HB2 SER 50 far 0 100 0 - 8.2-11.2 HA ILE 37 - HB2 SER 130 far 0 46 0 - 8.5-14.6 HB3 SER 51 - HB2 SER 130 far 0 61 0 - 9.6-13.1 HA THR 65 - HB2 SER 50 far 0 68 0 - 9.7-13.1 HA ARG 135 - HB2 SER 130 far 0 51 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1599 from cnoeabs.peaks (3.84, 3.84, 62.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 50 + HB2 SER 50 OK 100 100 - 100 HB2 SER 130 + HB2 SER 130 OK 60 60 - 100 Peak 1600 from cnoeabs.peaks (3.89, 3.84, 62.56 ppm; 3.87 A): 3 out of 10 assignments used, quality = 1.00: * HB3 SER 50 + HB2 SER 50 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 46 + HB2 SER 130 OK 51 70 80 90 4.3-6.0 ~10508=43, ~10508=33...(14) HA ALA 46 + HB2 SER 50 OK 43 99 60 73 4.3-7.0 2.1/11718=25...(16) HA2 GLY 2 - HB2 SER 50 far 5 100 5 - 3.8-72.2 HB3 SER 50 - HB2 SER 130 far 4 73 5 - 4.9-8.8 HA3 GLY 2 - HB2 SER 50 far 0 100 0 - 5.5-72.5 HA LEU 70 - HB2 SER 130 far 0 70 0 - 7.4-10.1 HA ALA 41 - HB2 SER 130 far 0 51 0 - 8.5-10.6 HA3 GLY 2 - HB2 SER 130 far 0 71 0 - 9.0-71.9 HA2 GLY 2 - HB2 SER 130 far 0 71 0 - 9.3-71.4 Violated in 0 structures by 0.00 A. Peak 1601 from cnoeabs.peaks (7.98, 3.84, 62.56 ppm; 4.34 A): 2 out of 5 assignments used, quality = 0.99: * H SER 51 + HB2 SER 50 OK 99 100 100 99 3.8-4.2 4.7=81, 1607/1.8=51...(19) H ILE 129 + HB2 SER 130 OK 46 55 100 85 4.4-5.3 3.6/7889=55, 7896/4.6=35...(11) H ILE 129 - HB2 SER 50 far 0 85 0 - 6.8-10.1 H SER 51 - HB2 SER 130 far 0 73 0 - 7.9-11.5 H THR 18 - HB2 SER 50 far 0 97 0 - 9.3-36.1 Violated in 0 structures by 0.00 A. Peak 1602 from cnoeabs.peaks (4.34, 3.89, 62.56 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.98: * HA ASP 47 + HB3 SER 50 OK 98 100 100 98 2.2-4.1 1596/1.8=60, 1470=49...(11) HA LYS 24 - HB2 SER 94 far 0 70 0 - 8.3-34.6 HA CYS 125 - HB2 SER 94 far 0 66 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 1603 from cnoeabs.peaks (8.66, 3.89, 62.56 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: * H SER 50 + HB3 SER 50 OK 100 100 100 100 2.1-3.5 3.9=100 H HIS 8 - HB3 SER 50 far 0 100 0 - 8.1-54.6 H PHE 89 - HB2 SER 94 far 0 41 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 1604 from cnoeabs.peaks (4.00, 3.89, 62.56 ppm; 3.96 A): 5 out of 10 assignments used, quality = 1.00: * HA SER 50 + HB3 SER 50 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 SER 51 + HB3 SER 50 OK 67 92 90 81 3.9-6.2 1591=31, 3.8/1607=28...(14) HB3 SER 94 + HB2 SER 94 OK 46 46 100 100 1.8-1.8 1.8=100 HA GLU 91 + HB2 SER 94 OK 42 60 100 70 3.1-4.5 2858=30, 2857/3.6=23...(6) HA GLN 127 + HB3 SER 50 OK 22 65 50 67 4.0-6.7 1598/1.8=17, 2858=14...(12) HA LYS 95 - HB2 SER 94 far 0 48 0 - 5.5-5.7 HA LEU 119 - HB3 SER 50 far 0 60 0 - 8.7-15.2 HB2 SER 124 - HB3 SER 50 far 0 100 0 - 9.4-12.3 HB3 SER 99 - HB2 SER 94 far 0 69 0 - 9.7-12.3 HA VAL 20 - HB3 SER 50 far 0 99 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 1605 from cnoeabs.peaks (3.84, 3.89, 62.56 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 50 + HB3 SER 50 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 130 - HB3 SER 50 far 5 90 5 - 4.9-8.8 HA LEU 123 - HB3 SER 50 far 0 97 0 - 5.8-8.8 HA LEU 62 - HB3 SER 50 far 0 99 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 1606 from cnoeabs.peaks (3.89, 3.89, 62.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 50 + HB3 SER 50 OK 100 100 - 100 HB2 SER 94 + HB2 SER 94 OK 63 63 - 100 Peak 1607 from cnoeabs.peaks (7.98, 3.89, 62.56 ppm; 3.90 A): 2 out of 4 assignments used, quality = 0.99: * H SER 51 + HB3 SER 50 OK 97 100 100 97 2.6-3.7 4.7=59, 1601/1.8=43...(24) H SER 94 + HB2 SER 94 OK 70 70 100 100 2.2-3.0 3.6=100 H ILE 129 - HB3 SER 50 far 0 85 0 - 8.2-10.6 H THR 18 - HB3 SER 50 far 0 97 0 - 8.7-37.0 Violated in 0 structures by 0.00 A. Peak 1608 from cnoeabs.peaks (7.98, 4.22, 61.16 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * H SER 51 + HA SER 51 OK 100 100 100 100 2.8-2.9 3.0=100 H THR 18 - HA SER 51 far 5 97 5 - 5.0-36.7 Violated in 0 structures by 0.00 A. Peak 1609 from cnoeabs.peaks (4.22, 4.22, 61.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 51 + HA SER 51 OK 100 100 - 100 Peak 1610 from cnoeabs.peaks (3.94, 4.22, 61.16 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 51 + HA SER 51 OK 100 100 100 100 2.5-2.9 2.9=100 HA2 GLY 17 - HA SER 51 far 4 85 5 - 4.4-35.7 HA3 GLY 17 - HA SER 51 far 4 85 5 - 5.4-36.3 HA GLN 127 - HA SER 51 far 0 65 0 - 8.2-11.4 HA3 GLY 14 - HA SER 51 far 0 76 0 - 9.7-39.8 Violated in 0 structures by 0.00 A. Peak 1611 from cnoeabs.peaks (3.98, 4.22, 61.16 ppm; 4.02 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 51 + HA SER 51 OK 100 100 100 100 2.7-3.0 2.9=100 HA SER 50 + HA SER 51 OK 87 92 100 94 4.6-4.7 4.9=55, 6650/3.6=22...(18) HA2 GLY 17 - HA SER 51 far 4 83 5 - 4.4-35.7 HA3 GLY 17 - HA SER 51 far 4 83 5 - 5.4-36.3 HA GLN 127 - HA SER 51 far 0 96 0 - 8.2-11.4 HA VAL 20 - HA SER 51 far 0 98 0 - 8.3-35.2 HB2 SER 124 - HA SER 51 far 0 93 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 1612 from cnoeabs.peaks (8.03, 4.22, 61.16 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 52 + HA SER 51 OK 100 100 100 100 3.4-3.5 3.6=100 H ALA 16 - HA SER 51 far 5 100 5 - 5.3-38.0 H LEU 48 - HA SER 51 far 0 89 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 1613 from cnoeabs.peaks (7.55, 4.22, 61.16 ppm; 6.64 A): 1 out of 3 assignments used, quality = 1.00: * H THR 54 + HA SER 51 OK 100 100 100 100 3.5-4.5 6672=100, 4.0/1691=93...(5) HE22 GLN 27 - HA SER 51 far 9 92 10 - 5.9-33.1 HE22 GLN 61 - HA SER 51 far 0 97 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. Peak 1614 from cnoeabs.peaks (4.46, 4.22, 61.16 ppm; 6.35 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 54 + HA SER 51 OK 100 100 100 100 3.2-6.4 1691=100, 4.0/6672=79, ~9223=29 Violated in 1 structures by 0.00 A. Peak 1615 from cnoeabs.peaks (4.11, 3.94, 62.66 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 48 + HB2 SER 51 OK 99 100 100 99 3.2-4.8 1492=95, 1493/1.8=51...(11) HA ALA 52 + HB2 SER 51 OK 52 76 75 91 4.0-5.6 2.9/1620=61, 3.6/9219=46...(8) HA LEU 49 - HB2 SER 51 far 0 100 0 - 5.5-6.5 HA CYS 45 - HB2 SER 51 far 0 95 0 - 8.6-10.5 Violated in 3 structures by 0.02 A. Peak 1616 from cnoeabs.peaks (7.98, 3.94, 62.66 ppm; 3.49 A): 1 out of 3 assignments used, quality = 0.96: * H SER 51 + HB2 SER 51 OK 96 100 100 96 2.2-3.2 3.8=74, 3.1/1620=46...(12) H THR 18 - HB2 SER 51 far 5 97 5 - 2.9-36.8 H VAL 57 - HB2 SER 51 far 0 76 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 1617 from cnoeabs.peaks (4.22, 3.94, 62.66 ppm; 3.36 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 51 + HB2 SER 51 OK 100 100 100 100 2.5-2.9 2.9=100 HB THR 25 - HB2 SER 51 far 0 92 0 - 4.9-29.4 HB THR 18 - HB2 SER 51 far 0 76 0 - 5.0-38.7 HA GLN 27 - HB2 SER 51 far 0 65 0 - 6.0-28.9 HA ALA 28 - HB2 SER 51 far 0 81 0 - 7.5-26.6 Violated in 0 structures by 0.00 A. Peak 1618 from cnoeabs.peaks (3.94, 3.94, 62.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 51 + HB2 SER 51 OK 100 100 - 100 Peak 1619 from cnoeabs.peaks (3.98, 3.94, 62.66 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 51 + HB2 SER 51 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 17 - HB2 SER 51 far 4 83 5 - 2.4-34.1 HA3 GLY 17 - HB2 SER 51 far 4 83 5 - 4.0-34.7 HA SER 50 - HB2 SER 51 far 0 92 0 - 5.6-6.4 HA VAL 20 - HB2 SER 51 far 0 98 0 - 6.0-35.2 HA GLN 127 - HB2 SER 51 far 0 96 0 - 8.5-12.6 HA THR 65 - HB2 SER 51 far 0 97 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1620 from cnoeabs.peaks (8.03, 3.94, 62.66 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.99: * H ALA 52 + HB2 SER 51 OK 99 100 100 99 2.8-3.9 6649=80, 3.1/1616=61...(15) H LEU 48 - HB2 SER 51 far 9 89 10 - 5.1-7.2 H ALA 16 - HB2 SER 51 far 5 100 5 - 5.1-37.6 H VAL 57 - HB2 SER 51 far 0 78 0 - 9.4-12.8 Violated in 2 structures by 0.00 A. Peak 1621 from cnoeabs.peaks (4.11, 3.98, 62.66 ppm; 3.92 A): 3 out of 16 assignments used, quality = 0.99: * HA LEU 48 + HB3 SER 51 OK 96 100 100 96 3.3-3.8 1492/1.8=73, 1493=64...(12) HA LEU 49 + HA SER 50 OK 67 71 100 94 4.7-4.9 4.8=53, 1491/3.6=17...(21) HA ALA 52 + HB3 SER 51 OK 61 76 95 85 4.1-5.4 ~1620=39, ~6649=36...(7) HA LEU 49 - HB3 SER 51 far 10 100 10 - 5.3-6.1 HA LEU 48 - HA VAL 20 far 4 74 5 - 4.7-32.3 HA ILE 32 - HA VAL 20 far 4 74 5 - 5.4-23.3 HA LEU 48 - HA SER 50 far 0 71 0 - 6.4-6.8 HA ALA 52 - HA SER 50 far 0 47 0 - 6.5-6.9 HA LEU 98 - HB3 SER 94 far 0 93 0 - 7.1-9.1 HA ALA 52 - HA VAL 20 far 0 49 0 - 7.2-32.0 HA LEU 49 - HA VAL 20 far 0 74 0 - 7.5-29.1 HA CYS 45 - HA VAL 20 far 0 65 0 - 7.9-28.3 HA PHE 89 - HB3 SER 94 far 0 65 0 - 8.0-9.6 HA CYS 45 - HA SER 50 far 0 63 0 - 8.6-10.1 HA CYS 45 - HB3 SER 51 far 0 95 0 - 8.7-9.5 HA LEU 98 - HA VAL 20 far 0 73 0 - 8.9-39.9 Violated in 0 structures by 0.00 A. Peak 1622 from cnoeabs.peaks (7.98, 3.98, 62.66 ppm; 4.48 A): 3 out of 13 assignments used, quality = 1.00: * H SER 51 + HB3 SER 51 OK 100 100 100 100 2.1-3.0 3.8=100 H SER 94 + HB3 SER 94 OK 90 90 100 100 2.2-3.0 3.6=100 H SER 51 + HA SER 50 OK 71 71 100 100 3.5-3.5 3.6=100 H THR 18 - HA VAL 20 poor 13 68 35 56 5.1-8.4 6144/10699=27, ~10685=20...(7) H THR 18 - HB3 SER 51 far 5 97 5 - 3.7-35.3 H ILE 129 - HB2 SER 124 far 0 59 0 - 7.0-8.7 H SER 51 - HA VAL 20 far 0 74 0 - 7.4-33.2 H SER 38 - HA VAL 20 far 0 74 0 - 7.8-29.2 H ILE 129 - HA SER 50 far 0 54 0 - 8.2-11.0 H THR 18 - HA SER 50 far 0 65 0 - 9.0-36.6 H LYS 36 - HA VAL 20 far 0 66 0 - 9.2-28.8 H ILE 37 - HA VAL 20 far 0 59 0 - 9.6-28.0 H ILE 129 - HB3 SER 94 far 0 74 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 1623 from cnoeabs.peaks (4.22, 3.98, 62.66 ppm; 3.87 A): 4 out of 30 assignments used, quality = 1.00: * HA SER 51 + HB3 SER 51 OK 100 100 100 100 2.7-3.0 2.9=100 HA SER 94 + HB3 SER 94 OK 80 80 100 100 3.0-3.0 3.0=100 HA SER 51 + HA SER 50 OK 66 71 100 92 4.6-4.7 4.9=49, 3.6/6650=20...(18) HA SER 124 + HB2 SER 124 OK 50 50 100 100 2.2-3.0 3.0=100 HA SER 124 - HA SER 50 far 7 45 15 - 4.5-8.1 HB THR 25 - HB3 SER 51 far 5 92 5 - 4.7-29.5 HB THR 18 - HB3 SER 51 far 4 76 5 - 5.3-37.2 HA ALA 28 - HA VAL 20 far 3 52 5 - 2.3-19.2 HB THR 18 - HA VAL 20 far 2 49 5 - 5.3-7.9 HB THR 25 - HA VAL 20 far 0 62 0 - 6.0-15.3 HA GLN 27 - HB3 SER 51 far 0 65 0 - 6.0-28.3 HA ALA 28 - HB3 SER 94 far 0 70 0 - 6.4-27.5 HA GLU 128 - HB2 SER 124 far 0 57 0 - 6.7-8.1 HA GLN 27 - HA VAL 20 far 0 41 0 - 6.9-17.6 HB3 SER 38 - HA VAL 20 far 0 72 0 - 6.9-31.9 HA ALA 28 - HB3 SER 51 far 0 81 0 - 7.1-26.2 HA ALA 29 - HA VAL 20 far 0 66 0 - 7.3-18.3 HA GLU 128 - HA SER 50 far 0 52 0 - 7.5-11.1 HA ALA 88 - HB3 SER 94 far 0 84 0 - 7.7-9.2 HA GLN 27 - HA SER 50 far 0 39 0 - 8.2-27.2 HA SER 51 - HA VAL 20 far 0 74 0 - 8.3-35.2 HB THR 25 - HA SER 50 far 0 60 0 - 8.7-26.3 HA GLU 30 - HA VAL 20 far 0 70 0 - 8.7-20.5 HA ALA 28 - HA SER 50 far 0 50 0 - 9.1-24.6 HB THR 25 - HB3 SER 94 far 0 81 0 - 9.2-31.5 HA ALA 29 - HB3 SER 51 far 0 96 0 - 9.3-24.5 HA ALA 29 - HA SER 50 far 0 64 0 - 9.7-21.5 HA SER 51 - HB2 SER 124 far 0 78 0 - 9.7-14.5 HA GLN 27 - HB3 SER 94 far 0 56 0 - 9.8-30.1 HA GLU 30 - HB3 SER 94 far 0 89 0 - 9.8-27.0 Violated in 0 structures by 0.00 A. Peak 1624 from cnoeabs.peaks (3.94, 3.98, 62.66 ppm; 2.50 A): 1 out of 20 assignments used, quality = 1.00: * HB2 SER 51 + HB3 SER 51 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 17 - HB3 SER 51 far 0 85 0 - 4.1-33.0 HA GLN 127 - HA SER 50 far 0 39 0 - 4.3-7.5 HA2 GLY 17 - HA VAL 20 far 0 56 0 - 4.8-11.1 HA3 GLY 14 - HA VAL 20 far 0 49 0 - 5.1-17.5 HA3 GLY 17 - HA VAL 20 far 0 56 0 - 5.2-11.0 HB2 SER 51 - HA SER 50 far 0 71 0 - 5.6-6.4 HA3 GLY 17 - HB3 SER 51 far 0 85 0 - 5.6-33.7 HB2 SER 51 - HA VAL 20 far 0 74 0 - 6.0-35.2 HB2 SER 106 - HA VAL 20 far 0 47 0 - 6.0-44.0 HA2 GLY 14 - HA VAL 20 far 0 47 0 - 6.2-16.3 HA THR 65 - HA VAL 20 far 0 39 0 - 7.4-25.4 HA GLN 127 - HB2 SER 124 far 0 44 0 - 7.6-8.3 HA2 GLY 17 - HA SER 50 far 0 54 0 - 8.2-36.6 HA GLN 127 - HB3 SER 51 far 0 65 0 - 8.4-11.7 HA2 GLY 111 - HA VAL 20 far 0 68 0 - 8.8-43.4 HA3 GLY 111 - HA VAL 20 far 0 73 0 - 9.0-44.4 HA THR 65 - HA SER 50 far 0 38 0 - 9.2-12.0 HA3 GLY 17 - HA SER 50 far 0 54 0 - 9.4-35.2 HA THR 65 - HB3 SER 51 far 0 63 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 1625 from cnoeabs.peaks (3.98, 3.98, 62.66 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 SER 51 + HB3 SER 51 OK 100 100 - 100 HB3 SER 94 + HB3 SER 94 OK 89 89 - 100 HA VAL 20 + HA VAL 20 OK 70 70 - 100 HB2 SER 124 + HB2 SER 124 OK 67 67 - 100 HA SER 50 + HA SER 50 OK 60 60 - 100 Peak 1626 from cnoeabs.peaks (8.03, 3.98, 62.66 ppm; 4.25 A): 4 out of 18 assignments used, quality = 1.00: * H ALA 52 + HB3 SER 51 OK 100 100 100 100 2.7-3.6 1620/1.8=87, 4.6=78...(17) H ALA 52 + HA SER 50 OK 70 71 100 98 4.0-4.6 6645/2.9=47, 6650=41...(21) H CYS 125 + HB2 SER 124 OK 65 66 100 99 2.5-4.1 4.5=83, 3.4/7769=61...(15) H LEU 48 + HB3 SER 51 OK 56 89 65 97 5.3-6.1 2.9/1493=46, ~1492=45...(14) H ALA 16 - HB3 SER 51 far 5 100 5 - 5.4-36.1 H ALA 16 - HA VAL 20 far 0 74 0 - 5.9-12.2 H LEU 48 - HA SER 50 far 0 57 0 - 6.6-6.8 H LEU 48 - HA VAL 20 far 0 59 0 - 6.6-31.4 H ALA 52 - HA VAL 20 far 0 74 0 - 7.0-31.8 H ILE 129 - HB2 SER 124 far 0 46 0 - 7.0-8.7 H CYS 125 - HA SER 50 far 0 60 0 - 7.6-9.3 H SER 130 - HA SER 50 far 0 69 0 - 7.8-10.8 H ILE 129 - HA SER 50 far 0 41 0 - 8.2-11.0 H SER 130 - HB2 SER 124 far 0 75 0 - 9.4-10.5 H CYS 125 - HB3 SER 94 far 0 81 0 - 9.7-11.5 H ALA 16 - HA SER 50 far 0 71 0 - 9.8-37.0 H ALA 52 - HB2 SER 124 far 0 78 0 - 9.9-14.7 H ILE 129 - HB3 SER 94 far 0 58 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 1627 from cnoeabs.peaks (8.03, 4.13, 54.53 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 52 + HA ALA 52 OK 100 100 100 100 2.9-2.9 2.9=100 H VAL 57 - HA ALA 52 far 0 78 0 - 5.7-7.8 H ALA 16 - HA ALA 52 far 0 100 0 - 8.0-38.1 H LEU 48 - HA ALA 52 far 0 89 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 1628 from cnoeabs.peaks (4.13, 4.13, 54.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 52 + HA ALA 52 OK 100 100 - 100 Peak 1629 from cnoeabs.peaks (1.48, 4.13, 54.53 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 52 + HA ALA 52 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 49 - HA ALA 52 far 0 87 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 1630 from cnoeabs.peaks (7.71, 4.13, 54.53 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + HA ALA 52 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1631 from cnoeabs.peaks (4.11, 1.48, 18.03 ppm; 3.60 A): 3 out of 6 assignments used, quality = 0.99: * HA LEU 49 + QB ALA 52 OK 93 100 100 93 2.2-2.7 2.9/9247=40, 1545=30...(21) HA LEU 48 + QB ALA 52 OK 72 100 85 84 4.2-5.3 3.6/9247=36, 3.8/9231=20...(15) HA ALA 52 + QB ALA 52 OK 71 71 100 100 2.1-2.1 2.1=100 HA CYS 45 - QB ALA 52 far 0 92 0 - 7.3-8.6 HA3 GLY 114 - QB ALA 52 far 0 89 0 - 7.4-14.4 HA ILE 32 - QB ALA 52 far 0 100 0 - 9.6-19.3 Violated in 0 structures by 0.00 A. Peak 1632 from cnoeabs.peaks (8.03, 1.48, 18.03 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 52 + QB ALA 52 OK 100 100 100 100 2.1-2.3 2.9=100 H VAL 57 - QB ALA 52 far 4 78 5 - 4.6-7.3 H LEU 48 - QB ALA 52 far 0 89 0 - 5.8-6.7 H ALA 16 - QB ALA 52 far 0 100 0 - 8.1-30.4 H CYS 125 - QB ALA 52 far 0 92 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 1633 from cnoeabs.peaks (4.13, 1.48, 18.03 ppm; 3.31 A): 3 out of 6 assignments used, quality = 1.00: * HA ALA 52 + QB ALA 52 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 49 + QB ALA 52 OK 60 71 100 84 2.2-2.7 2.9/9247=33, 3.0/9240=22...(18) HA LEU 48 + QB ALA 52 OK 31 76 55 74 4.2-5.3 3.6/9247=29, 3.8/9231=17...(14) HA CYS 45 - QB ALA 52 far 0 97 0 - 7.3-8.6 HA3 GLY 114 - QB ALA 52 far 0 99 0 - 7.4-14.4 HA ILE 32 - QB ALA 52 far 0 76 0 - 9.6-19.3 Violated in 0 structures by 0.00 A. Peak 1634 from cnoeabs.peaks (1.48, 1.48, 18.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 52 + QB ALA 52 OK 100 100 - 100 Peak 1635 from cnoeabs.peaks (7.71, 1.48, 18.03 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 53 + QB ALA 52 OK 100 100 100 100 2.5-3.1 3.7=100 H CYS 45 - QB ALA 52 far 0 65 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 1636 from cnoeabs.peaks (7.71, 4.18, 56.53 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + HA LEU 53 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1637 from cnoeabs.peaks (4.18, 4.18, 56.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 53 + HA LEU 53 OK 100 100 - 100 Peak 1638 from cnoeabs.peaks (1.52, 4.18, 56.53 ppm; 4.03 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 53 + HA LEU 53 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 LEU 119 + HA LEU 53 OK 58 73 85 94 2.1-10.9 3.1/11621=54...(33) HB2 LEU 49 - HA LEU 53 far 0 73 0 - 6.4-8.1 Violated in 0 structures by 0.00 A. Peak 1639 from cnoeabs.peaks (1.99, 4.18, 56.53 ppm; 4.13 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 53 + HA LEU 53 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 55 - HA LEU 53 poor 15 100 30 49 5.2-7.1 6678/3.6=22...(5) HB2 GLN 27 - HA LEU 53 far 0 60 0 - 7.8-28.7 HB3 PRO 56 - HA LEU 53 far 0 99 0 - 8.3-10.1 HG2 PRO 56 - HA LEU 53 far 0 93 0 - 8.3-10.3 HB VAL 20 - HA LEU 53 far 0 99 0 - 8.7-35.1 HG3 PRO 56 - HA LEU 53 far 0 93 0 - 8.8-10.4 HB VAL 63 - HA LEU 53 far 0 63 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 1640 from cnoeabs.peaks (1.94, 4.18, 56.53 ppm; 4.29 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 53 + HA LEU 53 OK 100 100 100 100 2.5-3.8 4.3=100 HB3 LEU 49 + HA LEU 53 OK 55 83 70 94 5.1-6.7 6666/3.0=30...(22) HB2 PRO 113 - HA LEU 53 far 3 68 5 - 5.3-14.9 HG2 PRO 113 - HA LEU 53 far 0 100 0 - 7.0-16.5 HB2 GLN 27 - HA LEU 53 far 0 60 0 - 7.8-28.7 HB2 PRO 58 - HA LEU 53 far 0 95 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 1641 from cnoeabs.peaks (0.79, 4.18, 56.53 ppm; 4.01 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 53 + HA LEU 53 OK 100 100 100 100 2.0-4.1 3.8=100 QD2 LEU 119 + HA LEU 53 OK 73 99 75 99 1.9-12.1 11621=87, 3.1/1638=21...(28) QD2 LEU 122 - HA LEU 53 far 5 99 5 - 4.9-8.6 QD1 LEU 122 - HA LEU 53 far 0 95 0 - 5.6-8.3 QD2 LEU 49 - HA LEU 53 far 0 100 0 - 6.4-8.1 QD1 LEU 103 - HA LEU 53 far 0 96 0 - 6.9-12.5 QD1 ILE 32 - HA LEU 53 far 0 89 0 - 8.7-17.9 QD1 LEU 70 - HA LEU 53 far 0 71 0 - 8.8-14.0 QG1 VAL 63 - HA LEU 53 far 0 97 0 - 9.1-12.1 QD1 LEU 96 - HA LEU 53 far 0 78 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 1642 from cnoeabs.peaks (0.97, 4.18, 56.53 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 53 + HA LEU 53 OK 100 100 100 100 1.8-3.8 1679=100, 2.1/1671=54...(15) QD1 LEU 119 + HA LEU 53 OK 22 71 40 79 2.7-11.0 2.1/11621=50...(16) QG1 VAL 57 - HA LEU 53 poor 17 87 20 - 4.1-7.7 QG2 VAL 126 - HA LEU 53 far 0 100 0 - 6.4-9.8 QG1 VAL 126 - HA LEU 53 far 0 97 0 - 6.4-9.6 QG1 VAL 112 - HA LEU 53 far 0 100 0 - 8.4-13.8 Violated in 2 structures by 0.03 A. Peak 1643 from cnoeabs.peaks (7.55, 4.18, 56.53 ppm; 5.12 A): 2 out of 4 assignments used, quality = 1.00: * H THR 54 + HA LEU 53 OK 100 100 100 100 3.3-3.6 3.6=100 H LEU 119 + HA LEU 53 OK 28 99 30 93 5.3-13.9 4.6/11621=60...(15) HE22 GLN 61 - HA LEU 53 poor 14 97 45 32 4.6-9.0 6654/9248=13...(6) HE22 GLN 27 - HA LEU 53 far 0 92 0 - 9.9-31.7 Violated in 0 structures by 0.00 A. Peak 1644 from cnoeabs.peaks (4.00, 1.52, 42.44 ppm; 6.40 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 50 + HB2 LEU 53 OK 100 100 100 100 4.0-4.9 1653/1.8=77, ~11816=58...(18) HA LEU 119 + HB2 LEU 53 OK 42 60 70 100 2.0-9.8 11001/11809=44...(36) HB2 SER 124 - HB2 LEU 53 poor 18 100 30 61 5.4-11.5 ~10373=23, ~10373=12...(13) HB3 SER 51 - HB2 LEU 53 far 14 92 15 - 7.8-8.8 HA GLN 127 - HB2 LEU 53 far 10 65 15 - 7.4-11.2 HA THR 65 - HB2 LEU 53 far 0 68 0 - 8.1-14.9 HB3 SER 99 - HB2 LEU 53 far 0 98 0 - 8.1-14.0 Violated in 0 structures by 0.00 A. Peak 1645 from cnoeabs.peaks (7.71, 1.52, 42.44 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + HB2 LEU 53 OK 100 100 100 100 3.2-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 1646 from cnoeabs.peaks (4.18, 1.52, 42.44 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 128 - HB2 LEU 53 far 0 87 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 1647 from cnoeabs.peaks (1.52, 1.52, 42.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + HB2 LEU 53 OK 100 100 - 100 Peak 1648 from cnoeabs.peaks (1.99, 1.52, 42.44 ppm; 4.07 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 53 + HB2 LEU 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 LEU 53 far 0 100 0 - 6.4-8.8 HB3 PRO 117 - HB2 LEU 53 far 0 92 0 - 9.3-15.8 HB2 GLN 27 - HB2 LEU 53 far 0 60 0 - 9.4-30.6 HB VAL 63 - HB2 LEU 53 far 0 63 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (1.94, 1.52, 42.44 ppm; 4.66 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LEU 49 + HB2 LEU 53 OK 58 83 70 99 4.3-7.7 1658/1.8=34...(43) HB2 PRO 113 - HB2 LEU 53 far 0 68 0 - 7.0-16.7 HG2 PRO 113 - HB2 LEU 53 far 0 100 0 - 8.7-18.2 HB2 GLN 27 - HB2 LEU 53 far 0 60 0 - 9.4-30.6 Violated in 0 structures by 0.00 A. Peak 1650 from cnoeabs.peaks (0.79, 1.52, 42.44 ppm; 4.02 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 53 + HB2 LEU 53 OK 100 100 100 100 1.9-2.6 3.1=100 QD2 LEU 119 + HB2 LEU 53 OK 48 99 50 98 1.8-10.9 11621/3.0=58...(40) QD1 LEU 122 - HB2 LEU 53 poor 19 95 50 39 3.9-9.5 1659/1.8=6, 1667/3.0=6...(19) QD2 LEU 122 - HB2 LEU 53 poor 10 99 25 38 4.3-9.8 ~1659=4, ~1659=4...(20) QD2 LEU 49 - HB2 LEU 53 far 5 100 5 - 5.4-8.5 QD1 LEU 70 - HB2 LEU 53 far 0 71 0 - 7.4-14.8 QD1 LEU 103 - HB2 LEU 53 far 0 96 0 - 7.4-14.1 QD1 LEU 96 - HB2 LEU 53 far 0 78 0 - 8.2-13.0 QG1 VAL 63 - HB2 LEU 53 far 0 97 0 - 8.6-14.0 QD1 ILE 32 - HB2 LEU 53 far 0 89 0 - 9.2-19.3 Violated in 0 structures by 0.00 A. Peak 1651 from cnoeabs.peaks (0.97, 1.52, 42.44 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.1-2.9 3.1=100 QD1 LEU 119 + HB2 LEU 53 OK 28 71 40 98 3.6-9.9 ~11621=43, 2.1/1650=22...(41) QG1 VAL 126 - HB2 LEU 53 poor 15 97 25 62 4.6-9.8 1660/1.8=14...(14) QG2 VAL 126 - HB2 LEU 53 far 10 100 10 - 4.8-9.6 QG1 VAL 57 - HB2 LEU 53 far 0 87 0 - 6.3-9.3 Violated in 0 structures by 0.00 A. Peak 1652 from cnoeabs.peaks (7.55, 1.52, 42.44 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H THR 54 + HB2 LEU 53 OK 100 100 100 100 2.5-4.3 4.6=100 H LEU 119 + HB2 LEU 53 OK 54 99 55 99 4.5-12.2 ~11845=43, 1685/3.1=28...(26) HE22 GLN 61 - HB2 LEU 53 poor 13 97 30 43 6.8-11.3 1685/3.1=16, 1661/1.8=11...(5) Violated in 0 structures by 0.00 A. Peak 1653 from cnoeabs.peaks (4.00, 1.99, 42.44 ppm; 6.03 A): 3 out of 7 assignments used, quality = 1.00: * HA SER 50 + HB3 LEU 53 OK 100 100 100 100 2.5-4.3 1644/1.8=75, ~11816=52...(19) HB3 SER 51 + HB3 LEU 53 OK 42 92 95 48 6.4-7.8 6657/4.0=39, 1621/9238=7...(4) HA LEU 119 + HB3 LEU 53 OK 36 60 60 99 3.7-11.2 11845/3.1=33...(33) HB2 SER 124 - HB3 LEU 53 far 15 100 15 - 5.8-12.1 HA GLN 127 - HB3 LEU 53 poor 6 65 35 27 6.6-10.7 10394/1660=16...(3) HA THR 65 - HB3 LEU 53 far 0 68 0 - 8.0-13.5 HB3 SER 99 - HB3 LEU 53 far 0 98 0 - 9.2-15.1 Violated in 0 structures by 0.00 A. Peak 1654 from cnoeabs.peaks (7.71, 1.99, 42.44 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.0-2.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 1655 from cnoeabs.peaks (4.18, 1.99, 42.44 ppm; 5.13 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 128 - HB3 LEU 53 far 0 87 0 - 9.4-14.5 HB THR 25 - HB3 LEU 53 far 0 76 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 1656 from cnoeabs.peaks (1.52, 1.99, 42.44 ppm; 4.19 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 53 + HB3 LEU 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 119 + HB3 LEU 53 OK 25 73 35 99 3.4-11.2 ~11621=28, 1638/3.0=24...(54) HB2 LEU 49 + HB3 LEU 53 OK 22 73 30 98 5.1-7.9 1.8/1658=28, ~1649=18...(41) HG LEU 69 - HB3 LEU 53 far 0 99 0 - 8.4-12.5 Violated in 0 structures by 0.00 A. Peak 1657 from cnoeabs.peaks (1.99, 1.99, 42.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + HB3 LEU 53 OK 100 100 - 100 Peak 1658 from cnoeabs.peaks (1.94, 1.99, 42.44 ppm; 4.61 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 LEU 49 + HB3 LEU 53 OK 74 83 90 99 3.5-6.5 1649/1.8=28, 1674/3.1=27...(41) HB2 PRO 113 - HB3 LEU 53 far 0 68 0 - 7.9-17.1 HB2 GLN 27 - HB3 LEU 53 far 0 60 0 - 8.3-29.6 HG2 PRO 113 - HB3 LEU 53 far 0 100 0 - 9.5-18.6 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (0.79, 1.99, 42.44 ppm; 4.37 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 119 + HB3 LEU 53 OK 39 99 40 99 2.9-12.3 11621/3.0=67...(42) QD2 LEU 49 + HB3 LEU 53 OK 39 100 40 98 4.8-7.8 3.2/1658=24, 1575/3.0=20...(43) QD1 LEU 122 - HB3 LEU 53 poor 20 95 45 47 4.3-9.8 1650/1.8=9, 1667/3.0=7...(21) QD2 LEU 122 - HB3 LEU 53 poor 11 99 25 46 4.8-9.9 ~1650=6, ~1650=6...(21) QD1 LEU 70 - HB3 LEU 53 far 0 71 0 - 7.7-14.9 QD1 LEU 103 - HB3 LEU 53 far 0 96 0 - 7.7-14.8 QG1 VAL 63 - HB3 LEU 53 far 0 97 0 - 8.2-13.6 QD1 LEU 96 - HB3 LEU 53 far 0 78 0 - 8.3-12.5 QD1 ILE 32 - HB3 LEU 53 far 0 89 0 - 8.8-18.3 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (0.97, 1.99, 42.44 ppm; 4.46 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.2-3.2 3.1=100 QG1 VAL 126 + HB3 LEU 53 OK 29 97 45 66 4.4-9.2 11691=14, 10394/1653=13...(16) QD1 LEU 119 + HB3 LEU 53 OK 25 71 35 99 4.9-11.1 ~11621=44, ~1641=19...(45) QG2 VAL 126 - HB3 LEU 53 poor 20 100 20 - 4.6-9.0 QG1 VAL 57 - HB3 LEU 53 far 0 87 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 1661 from cnoeabs.peaks (7.55, 1.99, 42.44 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * H THR 54 + HB3 LEU 53 OK 100 100 100 100 2.4-4.3 4.6=100 H LEU 119 + HB3 LEU 53 OK 34 99 35 99 6.0-13.6 ~11845=43, 1685/3.1=28...(24) HE22 GLN 61 + HB3 LEU 53 OK 21 97 45 47 6.6-11.3 1685/3.1=16...(6) HE22 GLN 27 - HB3 LEU 53 far 0 92 0 - 9.2-32.2 Violated in 0 structures by 0.00 A. Peak 1662 from cnoeabs.peaks (7.71, 1.94, 27.00 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + HG LEU 53 OK 100 100 100 100 2.1-3.7 6668/2.1=94, 1670/2.1=86...(24) Violated in 0 structures by 0.00 A. Peak 1663 from cnoeabs.peaks (4.18, 1.94, 27.00 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 53 + HG LEU 53 OK 100 100 100 100 2.5-3.8 4.3=100 HA GLU 128 - HG LEU 53 far 0 87 0 - 8.5-13.2 HB THR 25 - HG LEU 53 far 0 76 0 - 9.5-24.5 Violated in 0 structures by 0.00 A. Peak 1664 from cnoeabs.peaks (1.52, 1.94, 27.00 ppm; 5.23 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 53 + HG LEU 53 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 LEU 49 + HG LEU 53 OK 55 73 75 100 3.1-8.5 ~1561=28, ~1674=27...(40) HB2 LEU 119 + HG LEU 53 OK 44 73 60 100 4.4-11.4 ~11845=35, 1638/4.3=26...(50) HG LEU 69 - HG LEU 53 far 0 99 0 - 6.9-13.3 Violated in 0 structures by 0.00 A. Peak 1665 from cnoeabs.peaks (1.99, 1.94, 27.00 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 53 + HG LEU 53 OK 100 100 100 100 2.2-2.6 3.0=100 HB2 GLU 55 - HG LEU 53 far 0 100 0 - 6.2-9.8 HB2 GLN 27 - HG LEU 53 far 0 60 0 - 7.0-27.6 HB VAL 20 - HG LEU 53 far 0 99 0 - 8.6-33.8 HB VAL 63 - HG LEU 53 far 0 63 0 - 9.5-15.4 Violated in 0 structures by 0.00 A. Peak 1666 from cnoeabs.peaks (1.94, 1.94, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + HG LEU 53 OK 100 100 - 100 Peak 1667 from cnoeabs.peaks (0.79, 1.94, 27.00 ppm; 4.11 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 53 + HG LEU 53 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 49 + HG LEU 53 OK 54 100 55 97 3.7-8.0 2.1/1583=23, 1575=21...(43) QD2 LEU 119 + HG LEU 53 OK 33 99 35 96 2.3-12.5 11621/4.3=45...(35) QD2 LEU 122 - HG LEU 53 poor 20 99 20 - 3.5-9.8 QD1 LEU 122 - HG LEU 53 poor 20 95 45 46 3.7-9.5 1650/3.0=7, 1659/3.0=5...(19) QD1 LEU 70 - HG LEU 53 far 0 71 0 - 6.6-14.6 QD1 ILE 32 - HG LEU 53 far 0 89 0 - 7.0-16.9 QD1 LEU 103 - HG LEU 53 far 0 96 0 - 7.2-15.1 QD1 LEU 96 - HG LEU 53 far 0 78 0 - 7.8-13.8 QG1 VAL 63 - HG LEU 53 far 0 97 0 - 8.5-14.2 Violated in 0 structures by 0.00 A. Peak 1668 from cnoeabs.peaks (0.97, 1.94, 27.00 ppm; 3.94 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + HG LEU 53 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 126 + HG LEU 53 OK 24 97 40 61 4.5-9.8 2.1/11679=20...(17) QG2 VAL 126 - HG LEU 53 poor 19 100 30 63 4.1-10.2 11679=28, 11681/2.1=6...(18) QD1 LEU 119 - HG LEU 53 far 11 71 15 - 4.4-11.0 QG1 VAL 57 - HG LEU 53 far 0 87 0 - 6.1-8.9 Violated in 0 structures by 0.00 A. Peak 1670 from cnoeabs.peaks (7.71, 0.79, 26.18 ppm; 4.29 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 53 + QD1 LEU 53 OK 100 100 100 100 3.4-4.3 4.3=97, 6668/2.1=83...(23) H LEU 98 - QD2 LEU 122 far 7 68 10 - 5.6-9.1 H LEU 53 - QD2 LEU 122 far 0 93 0 - 5.9-9.8 H LYS 95 - QD2 LEU 122 far 0 89 0 - 5.9-9.6 H CYS 45 - QD1 LEU 53 far 0 65 0 - 9.2-12.4 H LEU 98 - QD1 LEU 53 far 0 78 0 - 9.4-14.6 H CYS 45 - QD2 LEU 122 far 0 56 0 - 9.5-13.1 H LYS 95 - QD1 LEU 53 far 0 98 0 - 9.8-13.2 Violated in 1 structures by 0.00 A. Peak 1671 from cnoeabs.peaks (4.18, 0.79, 26.18 ppm; 4.39 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.0-4.1 3.8=100 HA LEU 53 - QD2 LEU 122 far 9 93 10 - 4.9-8.6 HA GLU 128 - QD1 LEU 53 far 4 87 5 - 5.9-10.6 HA GLU 128 - QD2 LEU 122 far 0 76 0 - 8.3-12.1 HA VAL 105 - QD2 LEU 122 far 0 86 0 - 8.5-12.8 HB THR 25 - QD1 LEU 53 far 0 76 0 - 9.7-21.9 Violated in 0 structures by 0.00 A. Peak 1672 from cnoeabs.peaks (1.52, 0.79, 26.18 ppm; 3.39 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 53 + QD1 LEU 53 OK 100 100 100 100 1.9-2.6 3.1=100 HB2 LEU 49 + QD1 LEU 53 OK 30 73 45 92 3.3-7.5 1.8/1674=23, 3.0/1541=15...(32) HB2 LEU 119 + QD1 LEU 53 OK 29 73 45 87 2.9-8.0 1680/2.1=16, ~11845=14...(34) HB2 LEU 119 - QD2 LEU 122 far 10 63 15 - 3.7-8.0 HB2 LEU 53 - QD2 LEU 122 far 9 93 10 - 4.3-9.8 HG LEU 69 - QD2 LEU 122 far 9 91 10 - 4.5-8.9 HB2 LEU 49 - QD2 LEU 122 far 6 63 10 - 4.6-8.6 HG LEU 69 - QD1 LEU 53 far 0 99 0 - 5.6-10.1 HB3 LEU 42 - QD2 LEU 122 far 0 66 0 - 8.8-14.6 Violated in 0 structures by 0.00 A. Peak 1673 from cnoeabs.peaks (1.99, 0.79, 26.18 ppm; 3.69 A): 1 out of 16 assignments used, quality = 1.00: * HB3 LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 53 - QD2 LEU 122 far 5 93 5 - 4.8-9.9 HB VAL 63 - QD2 LEU 122 far 3 54 5 - 4.9-9.2 HB ILE 129 - QD2 LEU 122 far 0 89 0 - 6.1-10.2 HB3 PRO 117 - QD2 LEU 122 far 0 82 0 - 6.5-10.2 HB VAL 63 - QD1 LEU 53 far 0 63 0 - 6.9-13.1 HB2 GLU 55 - QD1 LEU 53 far 0 100 0 - 7.1-9.2 HB2 GLN 27 - QD1 LEU 53 far 0 60 0 - 7.8-24.3 HB ILE 129 - QD1 LEU 53 far 0 98 0 - 7.8-10.1 HB3 PRO 117 - QD1 LEU 53 far 0 92 0 - 8.0-13.1 HB2 GLN 27 - QD2 LEU 122 far 0 51 0 - 8.5-17.0 HB VAL 20 - QD1 LEU 53 far 0 99 0 - 8.8-29.9 HB3 GLU 30 - QD1 LEU 53 far 0 68 0 - 9.3-23.1 HB3 PRO 56 - QD1 LEU 53 far 0 99 0 - 9.7-11.9 HB ILE 37 - QD2 LEU 122 far 0 59 0 - 9.8-17.6 HB2 GLU 91 - QD2 LEU 122 far 0 93 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 1674 from cnoeabs.peaks (1.94, 0.79, 26.18 ppm; 3.33 A): 2 out of 17 assignments used, quality = 1.00: * HG LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 49 + QD1 LEU 53 OK 46 83 60 93 1.8-6.1 1682/2.1=17, 1.8/1552=17...(37) HB3 LEU 49 - QD2 LEU 122 far 11 72 15 - 3.7-7.6 HG LEU 53 - QD2 LEU 122 far 5 93 5 - 3.5-9.8 HB3 LYS 95 - QD2 LEU 122 far 0 93 0 - 5.3-9.6 HB2 LYS 95 - QD2 LEU 122 far 0 93 0 - 5.8-9.2 HB2 PRO 113 - QD1 LEU 53 far 0 68 0 - 7.4-15.7 HB2 GLN 27 - QD1 LEU 53 far 0 60 0 - 7.8-24.3 HB2 PRO 113 - QD2 LEU 122 far 0 59 0 - 8.0-14.4 HB2 GLN 27 - QD2 LEU 122 far 0 51 0 - 8.5-17.0 HB2 LYS 95 - QD1 LEU 53 far 0 100 0 - 8.8-12.1 HB3 LYS 95 - QD1 LEU 53 far 0 100 0 - 8.9-12.3 HB2 PRO 58 - QD1 LEU 53 far 0 95 0 - 9.0-13.8 HG2 PRO 113 - QD1 LEU 53 far 0 100 0 - 9.0-16.7 HB2 PRO 58 - QD2 LEU 122 far 0 85 0 - 9.1-13.4 HB2 GLU 30 - QD1 LEU 53 far 0 83 0 - 9.4-22.2 HG2 PRO 113 - QD2 LEU 122 far 0 93 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 1675 from cnoeabs.peaks (0.79, 0.79, 26.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 53 + QD1 LEU 53 OK 100 100 - 100 QD2 LEU 122 + QD2 LEU 122 OK 91 91 - 100 Peak 1676 from cnoeabs.peaks (0.97, 0.79, 26.18 ppm; 2.68 A): 3 out of 13 assignments used, quality = 1.00: * QD2 LEU 53 + QD1 LEU 53 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 126 + QD2 LEU 122 OK 55 88 80 78 1.5-4.8 11676/2.1=16, 11613=14...(25) QG2 VAL 126 + QD2 LEU 122 OK 54 93 70 83 1.7-5.6 11681=22, 11678/3.1=17...(25) QG2 VAL 126 - QD1 LEU 53 poor 15 100 40 37 3.1-7.3 11679/2.1=8, 11681=6...(13) QG1 VAL 126 - QD1 LEU 53 poor 12 97 30 40 2.5-7.0 11601/6621=7, 11613=6...(16) QD1 LEU 119 - QD1 LEU 53 far 7 71 10 - 4.1-8.4 QD2 LEU 53 - QD2 LEU 122 far 5 93 5 - 1.9-8.0 QD1 LEU 119 - QD2 LEU 122 far 0 61 0 - 4.2-8.0 QG1 VAL 57 - QD1 LEU 53 far 0 87 0 - 6.2-8.9 QG1 VAL 105 - QD2 LEU 122 far 0 91 0 - 7.1-11.2 QG1 VAL 57 - QD2 LEU 122 far 0 76 0 - 7.3-10.8 QG1 VAL 112 - QD2 LEU 122 far 0 93 0 - 7.6-13.7 QG1 VAL 112 - QD1 LEU 53 far 0 100 0 - 9.2-13.8 Violated in 0 structures by 0.00 A. Peak 1677 from cnoeabs.peaks (7.55, 0.79, 26.18 ppm; 5.88 A): 3 out of 8 assignments used, quality = 1.00: * H THR 54 + QD1 LEU 53 OK 100 100 100 100 3.8-5.1 4.6=100 H LEU 119 + QD2 LEU 122 OK 91 91 100 100 3.2-7.4 ~3764=60, ~11702=36...(38) H LEU 119 + QD1 LEU 53 OK 63 99 65 97 3.4-9.9 ~11845=42, 1685/2.1=27...(25) HE22 GLN 61 - QD1 LEU 53 poor 17 97 35 49 5.7-10.4 6654/10963=19...(6) H THR 54 - QD2 LEU 122 far 9 93 10 - 6.8-11.2 HE22 GLN 27 - QD2 LEU 122 far 8 82 10 - 7.0-19.2 HE22 GLN 61 - QD2 LEU 122 far 4 88 5 - 6.0-13.2 HE22 GLN 27 - QD1 LEU 53 far 0 92 0 - 9.5-26.4 Violated in 0 structures by 0.00 A. Peak 1678 from cnoeabs.peaks (7.71, 0.97, 25.20 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.2-4.2 4.3=100 H CYS 45 - QD2 LEU 53 far 0 65 0 - 9.5-13.9 H LEU 98 - QD2 LEU 53 far 0 78 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 1679 from cnoeabs.peaks (4.18, 0.97, 25.20 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 53 + QD2 LEU 53 OK 100 100 100 100 1.8-3.8 3.8=86, 1671/2.1=57...(15) HA GLU 128 - QD2 LEU 53 far 0 87 0 - 5.6-12.3 HB THR 25 - QD2 LEU 53 far 0 76 0 - 7.9-21.4 HB THR 18 - QD2 LEU 53 far 0 92 0 - 8.6-33.7 Violated in 2 structures by 0.02 A. Peak 1680 from cnoeabs.peaks (1.52, 0.97, 25.20 ppm; 3.50 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.1-2.9 3.1=100 HB2 LEU 119 + QD2 LEU 53 OK 42 73 65 89 1.9-8.1 2.9/11845=29...(33) HB2 LEU 49 + QD2 LEU 53 OK 27 73 40 94 3.5-8.5 1.8/1682=20, ~1674=14...(37) HG LEU 69 - QD2 LEU 53 far 0 99 0 - 7.2-11.9 Violated in 0 structures by 0.00 A. Peak 1681 from cnoeabs.peaks (1.99, 0.97, 25.20 ppm; 3.91 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.2-3.2 3.1=100 HB2 GLU 55 - QD2 LEU 53 far 0 100 0 - 6.0-8.8 HB2 GLN 27 - QD2 LEU 53 far 0 60 0 - 6.1-23.6 HB VAL 63 - QD2 LEU 53 far 0 63 0 - 6.4-13.0 HB3 PRO 117 - QD2 LEU 53 far 0 92 0 - 7.4-14.0 HB3 PRO 56 - QD2 LEU 53 far 0 99 0 - 7.6-12.0 HB VAL 20 - QD2 LEU 53 far 0 99 0 - 7.8-30.0 HG3 PRO 56 - QD2 LEU 53 far 0 93 0 - 8.2-12.0 HB ILE 129 - QD2 LEU 53 far 0 98 0 - 8.2-12.2 HG2 PRO 56 - QD2 LEU 53 far 0 93 0 - 8.2-11.6 HB3 GLU 30 - QD2 LEU 53 far 0 68 0 - 8.3-23.8 Violated in 0 structures by 0.00 A. Peak 1682 from cnoeabs.peaks (1.94, 0.97, 25.20 ppm; 3.56 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 49 + QD2 LEU 53 OK 40 83 50 96 2.3-7.2 1674/2.1=23...(39) HB2 PRO 113 - QD2 LEU 53 far 3 68 5 - 4.8-15.7 HB2 GLN 27 - QD2 LEU 53 far 0 60 0 - 6.1-23.6 HG2 PRO 113 - QD2 LEU 53 far 0 100 0 - 6.6-16.8 HB2 PRO 58 - QD2 LEU 53 far 0 95 0 - 7.2-14.0 HB2 GLU 30 - QD2 LEU 53 far 0 83 0 - 7.6-22.8 HB3 LYS 95 - QD2 LEU 53 far 0 100 0 - 9.1-13.3 HB2 LYS 95 - QD2 LEU 53 far 0 100 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 1683 from cnoeabs.peaks (0.79, 0.97, 25.20 ppm; 2.75 A): 2 out of 12 assignments used, quality = 1.00: * QD1 LEU 53 + QD2 LEU 53 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 119 + QD2 LEU 53 OK 33 99 50 67 1.9-9.1 11621/1679=22...(17) QD2 LEU 49 - QD2 LEU 53 far 15 100 15 - 3.9-7.7 QD1 LEU 122 - QD2 LEU 53 poor 8 95 35 23 3.6-8.1 3899/11818=5...(5) QD2 LEU 122 - QD2 LEU 53 far 5 99 5 - 1.9-8.0 QD1 LEU 103 - QD2 LEU 53 far 0 96 0 - 4.8-12.2 QD1 ILE 32 - QD2 LEU 53 far 0 89 0 - 5.5-14.9 QD1 LEU 70 - QD2 LEU 53 far 0 71 0 - 5.7-12.3 QG1 VAL 63 - QD2 LEU 53 far 0 97 0 - 6.1-12.0 QD1 LEU 96 - QD2 LEU 53 far 0 78 0 - 6.5-11.5 QG2 ILE 129 - QD2 LEU 53 far 0 63 0 - 8.5-11.9 QD1 ILE 37 - QD2 LEU 53 far 0 92 0 - 9.7-17.2 Violated in 0 structures by 0.00 A. Peak 1684 from cnoeabs.peaks (0.97, 0.97, 25.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 53 + QD2 LEU 53 OK 100 100 - 100 Peak 1685 from cnoeabs.peaks (7.55, 0.97, 25.20 ppm; 5.33 A): 3 out of 4 assignments used, quality = 1.00: * H THR 54 + QD2 LEU 53 OK 100 100 100 100 2.7-4.7 4.6=100 H LEU 119 + QD2 LEU 53 OK 57 99 60 96 3.2-10.3 2.8/11845=51...(25) HE22 GLN 61 + QD2 LEU 53 OK 33 97 40 85 3.2-10.3 3.5/9256=71...(11) HE22 GLN 27 - QD2 LEU 53 far 0 92 0 - 7.5-26.0 Violated in 0 structures by 0.00 A. Peak 1686 from cnoeabs.peaks (7.55, 4.42, 61.58 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * H THR 54 + HA THR 54 OK 100 100 100 100 2.7-2.9 3.0=100 H LEU 119 - HA THR 54 far 0 99 0 - 6.4-14.5 HE22 GLN 61 - HA THR 54 far 0 97 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 1687 from cnoeabs.peaks (4.42, 4.42, 61.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 54 + HA THR 54 OK 100 100 - 100 Peak 1688 from cnoeabs.peaks (4.46, 4.42, 61.58 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 54 + HA THR 54 OK 100 100 100 100 2.4-2.9 3.0=100 HA ASN 121 - HA THR 54 far 0 73 0 - 7.8-13.6 Violated in 0 structures by 0.00 A. Peak 1689 from cnoeabs.peaks (1.24, 4.42, 61.58 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 54 + HA THR 54 OK 100 100 100 100 1.9-3.2 1698=100, 6684/3.0=44...(5) QG2 THR 65 - HA THR 54 far 0 96 0 - 8.3-11.3 Violated in 9 structures by 0.04 A. Peak 1690 from cnoeabs.peaks (7.75, 4.42, 61.58 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 55 + HA THR 54 OK 100 100 100 100 2.8-3.5 3.6=100 H VAL 118 - HA THR 54 far 0 100 0 - 8.8-16.4 Violated in 0 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (4.22, 4.46, 69.33 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.76: * HA SER 51 + HB THR 54 OK 76 100 80 95 3.2-6.4 1614=91, 6672/4.0=41, ~9223=13 HA SER 124 - HB THR 54 far 4 73 5 - 5.9-12.7 HA GLU 128 - HB THR 54 far 0 83 0 - 9.7-16.2 Violated in 15 structures by 0.66 A. Peak 1692 from cnoeabs.peaks (7.55, 4.46, 69.33 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * H THR 54 + HB THR 54 OK 100 100 100 100 2.4-3.6 4.0=100 H LEU 119 - HB THR 54 far 0 99 0 - 8.6-16.5 HE22 GLN 61 - HB THR 54 far 0 97 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 1693 from cnoeabs.peaks (4.42, 4.46, 69.33 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 54 + HB THR 54 OK 100 100 100 100 2.4-2.9 3.0=100 HA ASN 120 - HB THR 54 far 5 100 5 - 5.7-11.3 HA HIS 5 - HB THR 54 far 0 95 0 - 7.0-65.2 Violated in 0 structures by 0.00 A. Peak 1694 from cnoeabs.peaks (4.46, 4.46, 69.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 54 + HB THR 54 OK 100 100 - 100 Peak 1695 from cnoeabs.peaks (1.24, 4.46, 69.33 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 54 + HB THR 54 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 65 - HB THR 54 far 0 96 0 - 8.2-12.4 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (7.75, 4.46, 69.33 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 55 + HB THR 54 OK 99 100 100 99 4.0-4.6 4.6=87, 6690/2.1=80, 6687/4.0=68 Violated in 6 structures by 0.03 A. Peak 1697 from cnoeabs.peaks (7.55, 1.24, 21.56 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * H THR 54 + QG2 THR 54 OK 100 100 100 100 2.1-3.6 6684=100, 3.0/1698=64...(10) H LEU 119 - QG2 THR 54 far 0 99 0 - 6.1-15.1 HE22 GLN 61 - QG2 THR 54 far 0 97 0 - 7.1-12.1 HE22 GLN 27 - QG2 THR 54 far 0 92 0 - 7.9-30.3 Violated in 1 structures by 0.01 A. Peak 1698 from cnoeabs.peaks (4.42, 1.24, 21.56 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 54 + QG2 THR 54 OK 100 100 100 100 1.9-3.2 3.2=100 HA ASN 120 - QG2 THR 54 far 10 100 10 - 4.4-10.9 HA HIS 5 - QG2 THR 54 far 0 95 0 - 6.1-53.9 Violated in 0 structures by 0.00 A. Peak 1699 from cnoeabs.peaks (4.46, 1.24, 21.56 ppm; 2.82 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 54 + QG2 THR 54 OK 100 100 100 100 2.1-2.1 2.1=100 HA ASN 121 - QG2 THR 54 far 0 73 0 - 8.3-13.5 Violated in 0 structures by 0.00 A. Peak 1700 from cnoeabs.peaks (1.24, 1.24, 21.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 54 + QG2 THR 54 OK 100 100 - 100 Peak 1701 from cnoeabs.peaks (7.75, 1.24, 21.56 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 55 + QG2 THR 54 OK 100 100 100 100 2.0-4.5 6690=100, 6687/6684=74...(13) H VAL 118 - QG2 THR 54 far 0 100 0 - 8.3-16.8 HD22 ASN 121 - QG2 THR 54 far 0 63 0 - 9.3-16.4 Violated in 9 structures by 0.07 A. Peak 1702 from cnoeabs.peaks (7.75, 4.76, 53.40 ppm; 6.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HA GLU 55 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1703 from cnoeabs.peaks (4.76, 4.76, 53.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HA GLU 55 OK 100 100 - 100 Peak 1704 from cnoeabs.peaks (1.99, 4.76, 53.40 ppm; 5.58 A): 4 out of 6 assignments used, quality = 1.00: * HB2 GLU 55 + HA GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 PRO 56 + HA GLU 55 OK 97 97 100 99 5.5-5.8 3.0/1734=51, 3.0/1732=51...(27) HG3 PRO 56 + HA GLU 55 OK 88 89 100 100 4.3-4.7 2.3/1734=53, 2.3/1732=53...(24) HG2 PRO 56 + HA GLU 55 OK 88 89 100 99 4.2-4.8 2.3/1734=53, 2.3/1732=53...(21) HB VAL 20 - HA GLU 55 far 5 97 5 - 7.0-38.3 HB3 LEU 53 - HA GLU 55 far 0 100 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 1705 from cnoeabs.peaks (2.04, 4.76, 53.40 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 55 + HA GLU 55 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 PRO 113 - HA GLU 55 far 8 85 10 - 4.8-18.5 HB2 LEU 62 - HA GLU 55 far 0 92 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 1706 from cnoeabs.peaks (2.47, 4.76, 53.40 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 55 + HA GLU 55 OK 100 100 100 100 2.1-3.8 3.9=100 HG3 GLN 127 - HA GLU 55 far 0 81 0 - 9.5-15.5 Violated in 0 structures by 0.00 A. Peak 1707 from cnoeabs.peaks (2.40, 4.76, 53.40 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HA GLU 55 OK 100 100 100 100 2.1-3.8 3.9=100 HG3 GLN 61 - HA GLU 55 far 0 89 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1708 from cnoeabs.peaks (7.75, 1.99, 30.10 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HB2 GLU 55 OK 100 100 100 100 2.3-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 1709 from cnoeabs.peaks (4.76, 1.99, 30.10 ppm; 6.51 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HB2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1710 from cnoeabs.peaks (1.99, 1.99, 30.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 55 + HB2 GLU 55 OK 100 100 - 100 Peak 1711 from cnoeabs.peaks (2.04, 1.99, 30.10 ppm; 2.66 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 55 + HB2 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 113 - HB2 GLU 55 far 0 85 0 - 5.6-19.7 HB3 GLN 27 - HB2 GLU 55 far 0 85 0 - 7.9-32.2 HB2 LEU 62 - HB2 GLU 55 far 0 92 0 - 8.4-10.9 HG2 PRO 58 - HB2 GLU 55 far 0 92 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 1712 from cnoeabs.peaks (2.47, 1.99, 30.10 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 55 + HB2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 127 - HB2 GLU 55 far 0 81 0 - 9.4-14.4 Violated in 0 structures by 0.00 A. Peak 1713 from cnoeabs.peaks (2.40, 1.99, 30.10 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HB2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 61 - HB2 GLU 55 far 0 89 0 - 7.7-11.1 Violated in 0 structures by 0.00 A. Peak 1714 from cnoeabs.peaks (7.75, 2.04, 30.10 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.4-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 1715 from cnoeabs.peaks (4.76, 2.04, 30.10 ppm; 6.51 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1716 from cnoeabs.peaks (1.99, 2.04, 30.10 ppm; 2.50 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 55 + HB3 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 56 + HB3 GLU 55 OK 51 89 75 77 3.5-6.2 2491=27, 2.3/9282=11...(30) HG3 PRO 56 - HB3 GLU 55 far 0 89 0 - 4.4-6.9 HB VAL 20 - HB3 GLU 55 far 0 97 0 - 4.8-36.6 HB3 PRO 56 - HB3 GLU 55 far 0 97 0 - 5.1-7.3 HB3 LEU 53 - HB3 GLU 55 far 0 100 0 - 5.8-8.6 HB2 GLN 27 - HB3 GLU 55 far 0 68 0 - 9.9-32.7 Violated in 0 structures by 0.00 A. Peak 1717 from cnoeabs.peaks (2.04, 2.04, 30.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 55 + HB3 GLU 55 OK 100 100 - 100 Peak 1718 from cnoeabs.peaks (2.47, 2.04, 30.10 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1719 from cnoeabs.peaks (2.40, 2.04, 30.10 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 61 - HB3 GLU 55 far 0 89 0 - 7.5-10.7 Violated in 0 structures by 0.00 A. Peak 1720 from cnoeabs.peaks (7.75, 2.47, 33.76 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HG2 GLU 55 OK 100 100 100 100 1.9-4.1 6694=100, 6695/1.8=78...(10) Violated in 0 structures by 0.00 A. Peak 1721 from cnoeabs.peaks (4.76, 2.47, 33.76 ppm; 6.51 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.1-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1722 from cnoeabs.peaks (1.99, 2.47, 33.76 ppm; 3.51 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 PRO 81 + HG3 GLN 82 OK 28 61 60 76 3.6-7.7 11914/5.1=23, ~11247=21...(15) HG2 PRO 56 - HG2 GLU 55 far 4 89 5 - 4.6-6.8 HB VAL 20 - HG2 GLU 55 far 0 97 0 - 5.2-35.3 HB3 LEU 53 - HG2 GLU 55 far 0 100 0 - 5.5-8.7 HG3 PRO 56 - HG2 GLU 55 far 0 89 0 - 5.5-7.5 HB3 PRO 56 - HG2 GLU 55 far 0 97 0 - 5.7-8.2 HB2 GLN 27 - HG2 GLU 55 far 0 68 0 - 7.9-29.7 Violated in 0 structures by 0.00 A. Peak 1723 from cnoeabs.peaks (2.04, 2.47, 33.76 ppm; 3.11 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 PRO 81 - HG3 GLN 82 far 6 60 10 - 4.4-7.9 HG3 ARG 135 - HG3 GLN 82 far 0 60 0 - 6.3-14.1 HB2 LEU 62 - HG2 GLU 55 far 0 92 0 - 7.3-12.1 HG3 PRO 113 - HG2 GLU 55 far 0 85 0 - 7.3-21.5 HB3 GLN 27 - HG2 GLU 55 far 0 85 0 - 7.5-30.5 HG2 PRO 58 - HG2 GLU 55 far 0 92 0 - 8.9-12.9 HB2 GLN 134 - HG3 GLN 82 far 0 45 0 - 9.0-17.9 HG2 ARG 90 - HG3 GLN 82 far 0 48 0 - 9.5-15.4 Violated in 0 structures by 0.00 A. Peak 1724 from cnoeabs.peaks (2.47, 2.47, 33.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 55 + HG2 GLU 55 OK 100 100 - 100 HG3 GLN 82 + HG3 GLN 82 OK 51 51 - 100 Peak 1725 from cnoeabs.peaks (2.40, 2.47, 33.76 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 55 + HG2 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 61 - HG2 GLU 55 far 0 89 0 - 7.3-13.1 HB3 PRO 58 - HG2 GLU 55 far 0 92 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 1726 from cnoeabs.peaks (7.75, 2.40, 33.76 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.5-4.1 6695=100, 6694/1.8=81...(12) H GLU 55 - HG3 GLN 61 far 0 67 0 - 8.1-11.6 HE22 GLN 68 - HG3 GLN 61 far 0 64 0 - 8.3-14.7 Violated in 0 structures by 0.00 A. Peak 1727 from cnoeabs.peaks (4.76, 2.40, 33.76 ppm; 6.51 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.1-3.8 3.9=100 HA GLU 55 - HG3 GLN 61 far 0 67 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1728 from cnoeabs.peaks (1.99, 2.40, 33.76 ppm; 3.73 A): 1 out of 14 assignments used, quality = 1.00: * HB2 GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 PRO 56 - HG3 GLU 55 far 13 89 15 - 2.9-7.2 HG3 PRO 56 - HG3 GLU 55 far 9 89 10 - 4.2-7.7 HB3 PRO 56 - HG3 GLU 55 far 5 97 5 - 4.3-8.2 HB VAL 20 - HG3 GLU 55 far 5 97 5 - 4.4-35.3 HB VAL 20 - HG3 GLN 61 far 0 61 0 - 5.6-32.5 HB3 LEU 53 - HG3 GLU 55 far 0 100 0 - 5.9-8.8 HB3 GLU 30 - HG3 GLN 61 far 0 33 0 - 6.3-24.3 HB2 GLU 55 - HG3 GLN 61 far 0 67 0 - 7.7-11.1 HB2 GLN 27 - HG3 GLN 61 far 0 39 0 - 8.2-23.2 HB3 LEU 53 - HG3 GLN 61 far 0 67 0 - 8.2-12.5 HB3 PRO 56 - HG3 GLN 61 far 0 62 0 - 8.6-10.4 HB2 GLN 27 - HG3 GLU 55 far 0 68 0 - 9.2-31.0 HG2 PRO 56 - HG3 GLN 61 far 0 54 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 1729 from cnoeabs.peaks (2.04, 2.40, 33.76 ppm; 3.87 A): 3 out of 16 assignments used, quality = 1.00: * HB3 GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 PRO 58 + HG3 GLN 61 OK 30 57 55 95 3.5-6.6 ~10934=32, 2.3/10935=30...(22) HB2 LEU 62 + HG3 GLN 61 OK 26 57 95 48 3.1-6.5 3.1/10033=19...(8) HB3 GLU 30 - HG3 GLN 61 far 0 46 0 - 6.3-24.3 HB VAL 63 - HG3 GLN 61 far 0 49 0 - 6.5-7.4 HB3 GLN 27 - HG3 GLN 61 far 0 51 0 - 6.7-23.8 HG3 PRO 113 - HG3 GLU 55 far 0 85 0 - 6.8-20.6 QE MET 11 - HG3 GLN 61 far 0 67 0 - 7.0-36.2 HB2 LEU 62 - HG3 GLU 55 far 0 92 0 - 7.5-12.1 HB3 GLU 55 - HG3 GLN 61 far 0 67 0 - 7.5-10.7 HG3 PRO 113 - HG3 GLN 61 far 0 51 0 - 8.6-17.2 HG2 PRO 58 - HG3 GLU 55 far 0 92 0 - 8.9-12.7 HB3 GLN 27 - HG3 GLU 55 far 0 85 0 - 9.0-31.8 HB3 MET 11 - HG3 GLN 61 far 0 51 0 - 9.3-43.7 HB VAL 118 - HG3 GLN 61 far 0 57 0 - 9.6-18.1 QE MET 11 - HG3 GLU 55 far 0 100 0 - 10.0-36.5 Violated in 0 structures by 0.00 A. Peak 1730 from cnoeabs.peaks (2.47, 2.40, 33.76 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 55 + HG3 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 55 - HG3 GLN 61 far 0 67 0 - 7.3-13.1 HG2 MET 11 - HG3 GLN 61 far 0 67 0 - 8.6-44.5 HG3 GLN 127 - HG3 GLU 55 far 0 81 0 - 9.5-16.0 HG3 GLN 104 - HG3 GLN 61 far 0 65 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 1731 from cnoeabs.peaks (2.40, 2.40, 33.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HG3 GLU 55 OK 100 100 - 100 HG3 GLN 61 + HG3 GLN 61 OK 54 54 - 100 Peak 1732 from cnoeabs.peaks (4.76, 3.66, 49.73 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 55 + HD2 PRO 56 OK 100 100 100 100 2.1-2.7 3.8=100 HA GLU 55 + HD3 PRO 56 OK 96 96 100 100 2.3-2.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 1733 from cnoeabs.peaks (3.66, 4.76, 53.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HA GLU 55 OK 100 100 100 100 2.1-2.7 3.8=100 HD3 PRO 56 + HA GLU 55 OK 99 99 100 100 2.3-2.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 1734 from cnoeabs.peaks (4.76, 3.65, 49.73 ppm; 3.83 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 55 + HD3 PRO 56 OK 100 100 100 100 2.3-2.5 3.8=100 HA GLU 55 + HD2 PRO 56 OK 96 96 100 100 2.1-2.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 1735 from cnoeabs.peaks (3.65, 4.76, 53.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HA GLU 55 OK 100 100 100 100 2.3-2.5 3.8=100 HD2 PRO 56 + HA GLU 55 OK 99 99 100 100 2.1-2.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 1737 from cnoeabs.peaks (2.13, 3.66, 49.73 ppm; 5.29 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 PRO 56 + HD3 PRO 56 OK 96 96 100 100 3.0-3.0 3.0=100 HB VAL 112 - HD3 PRO 56 far 0 79 0 - 9.5-18.1 Violated in 0 structures by 0.00 A. Peak 1738 from cnoeabs.peaks (2.00, 3.66, 49.73 ppm; 4.35 A): 8 out of 12 assignments used, quality = 1.00: * HB3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 4.0-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.7-2.7 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 97 97 100 100 2.0-4.0 4.8=75, 1.8/9282=42...(31) HB3 PRO 56 + HD3 PRO 56 OK 96 96 100 100 3.9-3.9 3.0=100 HG3 PRO 56 + HD3 PRO 56 OK 93 93 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 93 93 100 100 3.0-3.0 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 91 91 100 100 3.1-4.9 4.8=75, 1.8/9282=42...(31) HB VAL 20 - HD2 PRO 56 far 0 100 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 96 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 99 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1739 from cnoeabs.peaks (2.01, 3.66, 49.73 ppm; 4.36 A): 8 out of 12 assignments used, quality = 1.00: * HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 99 99 100 100 4.0-4.0 3.0=100 HG3 PRO 56 + HD3 PRO 56 OK 96 96 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 96 96 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 93 93 100 100 3.9-3.9 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 89 89 100 100 2.0-4.0 4.8=75, 1.8/9282=42...(31) HB2 GLU 55 + HD3 PRO 56 OK 81 81 100 100 3.1-4.9 4.8=75, 1.8/9282=42...(31) HB VAL 20 - HD2 PRO 56 far 0 99 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 94 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 86 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1740 from cnoeabs.peaks (2.01, 3.66, 49.73 ppm; 4.36 A): 8 out of 12 assignments used, quality = 1.00: HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 99 99 100 100 4.0-4.0 3.0=100 HG3 PRO 56 + HD3 PRO 56 OK 96 96 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 96 96 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 93 93 100 100 3.9-3.9 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 89 89 100 100 2.0-4.0 4.8=75, 1.8/9282=42...(31) HB2 GLU 55 + HD3 PRO 56 OK 81 81 100 100 3.1-4.9 4.8=75, 1.8/9282=42...(31) HB VAL 20 - HD2 PRO 56 far 0 99 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 94 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 86 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1741 from cnoeabs.peaks (3.66, 3.66, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 HD3 PRO 56 + HD3 PRO 56 OK 93 93 - 100 Peak 1742 from cnoeabs.peaks (3.65, 3.66, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HD2 PRO 56 OK 99 99 - 100 HD3 PRO 56 + HD3 PRO 56 OK 96 96 - 100 Reference assignment not found: HD3 PRO 56 - HD2 PRO 56 Peak 1745 from cnoeabs.peaks (2.13, 3.65, 49.73 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PRO 56 + HD2 PRO 56 OK 96 96 100 100 3.9-3.9 3.0=100 HB VAL 112 - HD3 PRO 56 far 0 87 0 - 9.5-18.1 Violated in 0 structures by 0.00 A. Peak 1746 from cnoeabs.peaks (2.00, 3.65, 49.73 ppm; 4.25 A): 8 out of 12 assignments used, quality = 1.00: * HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HG3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.0-3.0 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 97 97 100 100 3.1-4.9 4.8=69, 1.8/9282=40...(31) HB3 PRO 56 + HD2 PRO 56 OK 96 96 100 100 4.0-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 93 93 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 93 93 100 100 2.7-2.7 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 91 91 100 100 2.0-4.0 4.8=69, 1.8/9282=40...(31) HB VAL 20 - HD2 PRO 56 far 0 96 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 100 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 99 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1747 from cnoeabs.peaks (2.01, 3.65, 49.73 ppm; 4.26 A): 8 out of 12 assignments used, quality = 1.00: HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.9-3.9 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 96 96 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 96 96 100 100 2.7-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 93 93 100 100 4.0-4.0 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 89 89 100 100 3.1-4.9 4.8=70, 1.8/9282=40...(31) HB2 GLU 55 + HD2 PRO 56 OK 81 81 100 100 2.0-4.0 4.8=70, 1.8/9282=40...(31) HB VAL 20 - HD2 PRO 56 far 0 94 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 99 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 86 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1748 from cnoeabs.peaks (2.01, 3.65, 49.73 ppm; 4.26 A): 8 out of 12 assignments used, quality = 1.00: * HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.9-3.9 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 96 96 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 96 96 100 100 2.7-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 93 93 100 100 4.0-4.0 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 89 89 100 100 3.1-4.9 4.8=70, 1.8/9282=40...(31) HB2 GLU 55 + HD2 PRO 56 OK 81 81 100 100 2.0-4.0 4.8=70, 1.8/9282=40...(31) HB VAL 20 - HD2 PRO 56 far 0 94 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 99 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 86 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1749 from cnoeabs.peaks (3.66, 3.65, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HD3 PRO 56 OK 99 99 - 100 HD2 PRO 56 + HD2 PRO 56 OK 96 96 - 100 Reference assignment not found: HD2 PRO 56 - HD3 PRO 56 Peak 1750 from cnoeabs.peaks (3.65, 3.65, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 HD2 PRO 56 + HD2 PRO 56 OK 93 93 - 100 Peak 1752 from cnoeabs.peaks (4.67, 4.67, 62.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 56 + HA PRO 56 OK 100 100 - 100 Peak 1753 from cnoeabs.peaks (2.13, 4.67, 62.91 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HA PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 112 - HA PRO 56 poor 17 87 20 - 6.4-14.8 Violated in 0 structures by 0.00 A. Peak 1754 from cnoeabs.peaks (2.00, 4.67, 62.91 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 56 + HA PRO 56 OK 99 99 100 100 3.9-3.9 3.8=100 HG3 PRO 56 + HA PRO 56 OK 99 99 100 100 4.0-4.0 3.8=100 HB2 GLU 55 + HA PRO 56 OK 90 97 100 92 4.8-6.0 9281/3.6=47, 9281/3.6=47...(7) HG2 PRO 58 - HA PRO 56 far 3 68 5 - 8.0-8.8 HB3 LEU 53 - HA PRO 56 far 0 99 0 - 8.3-9.8 HB3 PRO 117 - HA PRO 56 far 0 99 0 - 8.9-18.7 HB VAL 20 - HA PRO 56 far 0 100 0 - 9.3-39.3 Violated in 0 structures by 0.00 A. Peak 1755 from cnoeabs.peaks (2.01, 4.67, 62.91 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: * HG2 PRO 56 + HA PRO 56 OK 100 100 100 100 3.9-3.9 3.8=100 HG3 PRO 56 + HA PRO 56 OK 100 100 100 100 4.0-4.0 3.8=100 HB3 PRO 56 + HA PRO 56 OK 99 99 100 100 2.7-2.7 2.3=100 HB2 GLU 55 + HA PRO 56 OK 78 89 100 88 4.8-6.0 9281/3.6=41, 9281/3.6=41...(7) HG2 PRO 58 - HA PRO 56 far 4 85 5 - 8.0-8.8 HB3 LEU 53 - HA PRO 56 far 0 93 0 - 8.3-9.8 HB3 PRO 117 - HA PRO 56 far 0 100 0 - 8.9-18.7 HB VAL 20 - HA PRO 56 far 0 99 0 - 9.3-39.3 Violated in 0 structures by 0.00 A. Peak 1756 from cnoeabs.peaks (2.01, 4.67, 62.91 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: HG2 PRO 56 + HA PRO 56 OK 100 100 100 100 3.9-3.9 3.8=100 * HG3 PRO 56 + HA PRO 56 OK 100 100 100 100 4.0-4.0 3.8=100 HB3 PRO 56 + HA PRO 56 OK 99 99 100 100 2.7-2.7 2.3=100 HB2 GLU 55 + HA PRO 56 OK 78 89 100 88 4.8-6.0 9281/3.6=41, 9281/3.6=41...(7) HG2 PRO 58 - HA PRO 56 far 4 85 5 - 8.0-8.8 HB3 LEU 53 - HA PRO 56 far 0 93 0 - 8.3-9.8 HB3 PRO 117 - HA PRO 56 far 0 100 0 - 8.9-18.7 HB VAL 20 - HA PRO 56 far 0 99 0 - 9.3-39.3 Violated in 0 structures by 0.00 A. Peak 1757 from cnoeabs.peaks (3.66, 4.67, 62.91 ppm; 5.17 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HA PRO 56 OK 100 100 100 100 4.1-4.1 3.6=100 HD3 PRO 56 + HA PRO 56 OK 99 99 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1758 from cnoeabs.peaks (3.65, 4.67, 62.91 ppm; 5.17 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HA PRO 56 OK 100 100 100 100 3.6-3.6 3.6=100 HD2 PRO 56 + HA PRO 56 OK 99 99 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 1760 from cnoeabs.peaks (4.67, 2.13, 29.23 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HA ASN 13 - HB2 PRO 56 far 0 99 0 - 8.0-44.9 Violated in 0 structures by 0.00 A. Peak 1761 from cnoeabs.peaks (2.13, 2.13, 29.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 Peak 1762 from cnoeabs.peaks (2.00, 2.13, 29.23 ppm; 2.91 A): 3 out of 7 assignments used, quality = 1.00: * HB3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HB2 PRO 56 OK 99 99 100 100 3.0-3.0 2.3=100 HB2 GLU 55 - HB2 PRO 56 far 0 97 0 - 5.5-6.8 HG2 PRO 58 - HB2 PRO 56 far 0 68 0 - 8.7-10.1 HB VAL 20 - HB2 PRO 56 far 0 100 0 - 9.8-41.0 HB3 PRO 117 - HB2 PRO 56 far 0 99 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 1763 from cnoeabs.peaks (2.01, 2.13, 29.23 ppm; 3.51 A): 3 out of 7 assignments used, quality = 1.00: HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 PRO 56 far 0 89 0 - 5.5-6.8 HG2 PRO 58 - HB2 PRO 56 far 0 85 0 - 8.7-10.1 HB VAL 20 - HB2 PRO 56 far 0 99 0 - 9.8-41.0 HB3 PRO 117 - HB2 PRO 56 far 0 100 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 1764 from cnoeabs.peaks (2.01, 2.13, 29.23 ppm; 3.51 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 PRO 56 far 0 89 0 - 5.5-6.8 HG2 PRO 58 - HB2 PRO 56 far 0 85 0 - 8.7-10.1 HB VAL 20 - HB2 PRO 56 far 0 99 0 - 9.8-41.0 HB3 PRO 117 - HB2 PRO 56 far 0 100 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 1765 from cnoeabs.peaks (3.66, 2.13, 29.23 ppm; 4.96 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HD3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1766 from cnoeabs.peaks (3.65, 2.13, 29.23 ppm; 4.96 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 PRO 56 + HB2 PRO 56 OK 99 99 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1767 from cnoeabs.peaks (8.01, 2.13, 29.23 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 57 + HB2 PRO 56 OK 100 100 100 100 4.1-4.3 3.9=100 H ALA 16 - HB2 PRO 56 far 4 73 5 - 5.4-44.4 Violated in 0 structures by 0.00 A. Peak 1768 from cnoeabs.peaks (4.67, 2.00, 29.23 ppm; 4.25 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HA ASN 13 - HB3 GLU 30 far 2 42 5 - 4.6-28.7 HA ASN 13 - HB3 PRO 56 far 0 99 0 - 6.4-44.7 HA HIS 4 - HB3 GLU 30 far 0 27 0 - 7.9-51.6 HA HIS 7 - HB3 GLU 30 far 0 34 0 - 7.9-43.9 HA HIS 6 - HB3 GLU 30 far 0 25 0 - 8.4-47.7 Violated in 0 structures by 0.00 A. Peak 1769 from cnoeabs.peaks (2.13, 2.00, 29.23 ppm; 3.18 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 91 + HB2 GLU 91 OK 30 30 100 100 2.2-2.3 3.0=100 HB VAL 112 - HB3 PRO 56 far 0 87 0 - 6.3-16.3 HB2 GLU 97 - HB3 GLU 30 far 0 43 0 - 8.7-23.5 HB3 LEU 69 - HB3 GLU 30 far 0 20 0 - 9.6-18.8 Violated in 0 structures by 0.00 A. Peak 1770 from cnoeabs.peaks (2.00, 2.00, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 PRO 56 + HB3 PRO 56 OK 100 100 - 100 HB2 GLU 91 + HB2 GLU 91 OK 55 55 - 100 HB3 GLU 30 + HB3 GLU 30 OK 32 32 - 100 Peak 1771 from cnoeabs.peaks (2.01, 2.00, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 PRO 56 + HB3 PRO 56 OK 99 99 - 100 HB2 GLU 91 + HB2 GLU 91 OK 49 49 - 100 HB3 GLU 30 + HB3 GLU 30 OK 38 38 - 100 Reference assignment not found: HG2 PRO 56 - HB3 PRO 56 Peak 1772 from cnoeabs.peaks (2.01, 2.00, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 PRO 56 + HB3 PRO 56 OK 99 99 - 100 HB2 GLU 91 + HB2 GLU 91 OK 49 49 - 100 HB3 GLU 30 + HB3 GLU 30 OK 38 38 - 100 Reference assignment not found: HG3 PRO 56 - HB3 PRO 56 Peak 1773 from cnoeabs.peaks (3.66, 2.00, 29.23 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 4.0-4.0 3.0=100 HD3 PRO 56 + HB3 PRO 56 OK 99 99 100 100 3.9-3.9 3.0=100 HA2 GLY 66 - HB3 GLU 30 far 0 20 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 1774 from cnoeabs.peaks (3.65, 2.00, 29.23 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HD2 PRO 56 + HB3 PRO 56 OK 99 99 100 100 4.0-4.0 3.0=100 HA2 GLY 66 - HB3 GLU 30 far 0 29 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 1775 from cnoeabs.peaks (8.01, 2.00, 29.23 ppm; 5.27 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 57 + HB3 PRO 56 OK 100 100 100 100 3.7-3.9 3.9=100 H SER 94 + HB2 GLU 91 OK 45 47 100 97 5.3-5.9 7259/7252=69...(12) H ALA 16 - HB3 PRO 56 far 7 73 10 - 3.7-43.7 H ALA 16 - HB3 GLU 30 far 4 26 15 - 5.7-27.4 H ILE 129 - HB2 GLU 91 far 0 56 0 - 8.0-10.4 H SER 94 - HB3 GLU 30 far 0 36 0 - 8.7-26.5 Violated in 0 structures by 0.00 A. Peak 1776 from cnoeabs.peaks (4.67, 2.01, 27.58 ppm; 5.89 A): 2 out of 8 assignments used, quality = 1.00: * HA PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 56 + HG3 PRO 56 OK 100 100 100 100 4.0-4.0 3.8=100 HA ASN 13 - HG2 PRO 56 far 10 99 10 - 6.0-45.9 HA ASN 13 - HG3 PRO 56 far 5 99 5 - 7.2-46.7 HA HIS 6 - HG2 PRO 81 far 0 43 0 - 7.4-64.9 HA ASN 13 - HG2 PRO 58 far 0 49 0 - 7.6-40.7 HA PRO 56 - HG2 PRO 58 far 0 51 0 - 8.0-8.8 HA HIS 4 - HG2 PRO 81 far 0 47 0 - 8.0-70.7 Violated in 0 structures by 0.00 A. Peak 1777 from cnoeabs.peaks (2.13, 2.01, 27.58 ppm; 3.72 A): 2 out of 6 assignments used, quality = 1.00: HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB VAL 112 - HG2 PRO 58 far 0 38 0 - 7.3-19.8 HB VAL 112 - HG3 PRO 56 far 0 87 0 - 8.2-18.0 HB VAL 112 - HG2 PRO 56 far 0 87 0 - 8.4-18.2 HB2 PRO 56 - HG2 PRO 58 far 0 51 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 1778 from cnoeabs.peaks (2.00, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 99 99 - 100 HG2 PRO 56 + HG2 PRO 56 OK 99 99 - 100 HG2 PRO 81 + HG2 PRO 81 OK 71 71 - 100 HG2 PRO 58 + HG2 PRO 58 OK 28 28 - 100 Reference assignment not found: HB3 PRO 56 - HG2 PRO 56 Peak 1779 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 * HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 67 67 - 100 HG2 PRO 58 + HG2 PRO 58 OK 37 37 - 100 Peak 1780 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 67 67 - 100 HG2 PRO 58 + HG2 PRO 58 OK 37 37 - 100 Reference assignment not found: HG3 PRO 56 - HG2 PRO 56 Peak 1781 from cnoeabs.peaks (3.66, 2.01, 27.58 ppm; 4.27 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 99 99 100 100 3.0-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 1782 from cnoeabs.peaks (3.65, 2.01, 27.58 ppm; 4.28 A): 4 out of 4 assignments used, quality = 1.00: HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HD3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 99 99 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1783 from cnoeabs.peaks (8.01, 2.01, 27.58 ppm; 6.76 A): 3 out of 8 assignments used, quality = 1.00: * H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(10) H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.7-5.8 6697/3.8=100...(7) H VAL 57 + HG2 PRO 58 OK 42 51 100 84 6.5-7.0 ~1794=43, ~1794=37...(4) H ALA 16 - HG2 PRO 56 far 11 73 15 - 4.9-42.7 H ALA 16 - HG3 PRO 56 far 7 73 10 - 5.9-44.3 H ALA 16 - HG2 PRO 58 far 3 31 10 - 7.2-39.1 H SER 130 - HG2 PRO 81 far 0 36 0 - 9.4-12.9 H ALA 52 - HG2 PRO 56 far 0 78 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1784 from cnoeabs.peaks (4.67, 2.01, 27.58 ppm; 5.89 A): 2 out of 8 assignments used, quality = 1.00: HA PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.9-3.9 3.8=100 * HA PRO 56 + HG3 PRO 56 OK 100 100 100 100 4.0-4.0 3.8=100 HA ASN 13 - HG2 PRO 56 far 10 99 10 - 6.0-45.9 HA ASN 13 - HG3 PRO 56 far 5 99 5 - 7.2-46.7 HA HIS 6 - HG2 PRO 81 far 0 43 0 - 7.4-64.9 HA ASN 13 - HG2 PRO 58 far 0 49 0 - 7.6-40.7 HA PRO 56 - HG2 PRO 58 far 0 51 0 - 8.0-8.8 HA HIS 4 - HG2 PRO 81 far 0 47 0 - 8.0-70.7 Violated in 0 structures by 0.00 A. Peak 1785 from cnoeabs.peaks (2.13, 2.01, 27.58 ppm; 3.72 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB VAL 112 - HG2 PRO 58 far 0 38 0 - 7.3-19.8 HB VAL 112 - HG3 PRO 56 far 0 87 0 - 8.2-18.0 HB VAL 112 - HG2 PRO 56 far 0 87 0 - 8.4-18.2 HB2 PRO 56 - HG2 PRO 58 far 0 51 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 1786 from cnoeabs.peaks (2.00, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 99 99 - 100 HG2 PRO 56 + HG2 PRO 56 OK 99 99 - 100 HG2 PRO 81 + HG2 PRO 81 OK 71 71 - 100 HG2 PRO 58 + HG2 PRO 58 OK 28 28 - 100 Reference assignment not found: HB3 PRO 56 - HG3 PRO 56 Peak 1787 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 67 67 - 100 HG2 PRO 58 + HG2 PRO 58 OK 37 37 - 100 Reference assignment not found: HG2 PRO 56 - HG3 PRO 56 Peak 1788 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 67 67 - 100 HG2 PRO 58 + HG2 PRO 58 OK 37 37 - 100 Peak 1789 from cnoeabs.peaks (3.66, 2.01, 27.58 ppm; 4.27 A): 4 out of 4 assignments used, quality = 1.00: HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 99 99 100 100 3.0-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 1790 from cnoeabs.peaks (3.65, 2.01, 27.58 ppm; 4.28 A): 4 out of 4 assignments used, quality = 1.00: * HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 99 99 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1791 from cnoeabs.peaks (8.01, 2.01, 27.58 ppm; 6.76 A): 3 out of 8 assignments used, quality = 1.00: H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(10) * H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.7-5.8 6697/3.8=100...(7) H VAL 57 + HG2 PRO 58 OK 42 51 100 84 6.5-7.0 ~1794=43, ~1794=37...(4) H ALA 16 - HG2 PRO 56 far 11 73 15 - 4.9-42.7 H ALA 16 - HG3 PRO 56 far 7 73 10 - 5.9-44.3 H ALA 16 - HG2 PRO 58 far 3 31 10 - 7.2-39.1 H SER 130 - HG2 PRO 81 far 0 36 0 - 9.4-12.9 H ALA 52 - HG2 PRO 56 far 0 78 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1792 from cnoeabs.peaks (8.01, 4.59, 58.62 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 57 + HA VAL 57 OK 100 100 100 100 2.9-2.9 3.0=100 H ALA 16 - HA VAL 57 far 4 73 5 - 3.8-40.4 H ALA 52 - HA VAL 57 far 0 78 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 1793 from cnoeabs.peaks (4.59, 4.59, 58.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HA VAL 57 OK 100 100 - 100 Peak 1794 from cnoeabs.peaks (2.09, 4.59, 58.62 ppm; 3.79 A): 2 out of 6 assignments used, quality = 1.00: * HB VAL 57 + HA VAL 57 OK 100 100 100 100 2.5-2.8 3.0=100 HG3 PRO 58 + HA VAL 57 OK 86 87 100 99 4.2-4.7 ~9309=29, ~9308=29...(26) HB3 GLN 61 - HA VAL 57 far 14 97 15 - 4.6-7.4 HG3 PRO 113 - HA VAL 57 far 0 60 0 - 5.3-16.1 HB2 GLN 61 - HA VAL 57 far 0 99 0 - 5.4-7.9 HB VAL 112 - HA VAL 57 far 0 63 0 - 7.3-17.6 Violated in 0 structures by 0.00 A. Peak 1795 from cnoeabs.peaks (0.86, 4.59, 58.62 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 57 + HA VAL 57 OK 100 100 100 100 3.0-3.2 3.2=100 QG2 VAL 20 - HA VAL 57 far 0 60 0 - 7.4-29.2 QD2 LEU 123 - HA VAL 57 far 0 78 0 - 7.9-12.0 QD2 LEU 22 - HA VAL 57 far 0 81 0 - 8.2-28.9 Violated in 0 structures by 0.00 A. Peak 1796 from cnoeabs.peaks (0.95, 4.59, 58.62 ppm; 3.96 A): 1 out of 7 assignments used, quality = 1.00: * QG1 VAL 57 + HA VAL 57 OK 100 100 100 100 1.9-2.3 3.2=100 QD1 LEU 119 - HA VAL 57 far 15 99 15 - 5.0-13.2 QG2 VAL 112 - HA VAL 57 far 4 71 5 - 4.8-15.5 QD2 LEU 53 - HA VAL 57 far 0 87 0 - 6.1-11.6 QG1 VAL 112 - HA VAL 57 far 0 85 0 - 6.5-13.4 QD1 LEU 123 - HA VAL 57 far 0 81 0 - 6.9-13.3 QD1 LEU 48 - HA VAL 57 far 0 71 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 1797 from cnoeabs.peaks (8.01, 2.09, 32.84 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 57 + HB VAL 57 OK 100 100 100 100 3.5-3.8 4.0=100 H ALA 16 - HB VAL 57 far 0 73 0 - 6.5-38.2 H ALA 52 - HB VAL 57 far 0 78 0 - 7.3-8.5 H SER 51 - HB VAL 57 far 0 76 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1798 from cnoeabs.peaks (4.59, 2.09, 32.84 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HB VAL 57 OK 100 100 100 100 2.5-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1799 from cnoeabs.peaks (2.09, 2.09, 32.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 57 + HB VAL 57 OK 100 100 - 100 Peak 1800 from cnoeabs.peaks (0.86, 2.09, 32.84 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 57 + HB VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 123 - HB VAL 57 far 0 78 0 - 5.8-10.4 QG2 VAL 20 - HB VAL 57 far 0 60 0 - 6.6-27.4 QD2 LEU 22 - HB VAL 57 far 0 81 0 - 7.2-26.8 QG2 ILE 32 - HB VAL 57 far 0 99 0 - 9.4-18.8 QD2 LEU 69 - HB VAL 57 far 0 99 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 1801 from cnoeabs.peaks (0.95, 2.09, 32.84 ppm; 3.15 A): 1 out of 9 assignments used, quality = 1.00: * QG1 VAL 57 + HB VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 53 - HB VAL 57 poor 17 87 20 - 4.1-10.5 QD1 LEU 119 - HB VAL 57 far 0 99 0 - 4.7-12.3 QD1 LEU 123 - HB VAL 57 far 0 81 0 - 5.1-12.1 QG2 VAL 112 - HB VAL 57 far 0 71 0 - 6.4-15.5 QG1 VAL 112 - HB VAL 57 far 0 85 0 - 7.5-13.5 QD1 LEU 48 - HB VAL 57 far 0 71 0 - 7.6-12.7 QG2 VAL 126 - HB VAL 57 far 0 92 0 - 9.2-12.9 QG1 VAL 126 - HB VAL 57 far 0 99 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 1802 from cnoeabs.peaks (8.01, 0.86, 19.35 ppm; 3.13 A): 1 out of 4 assignments used, quality = 0.99: * H VAL 57 + QG2 VAL 57 OK 99 100 100 99 2.0-2.3 6706=94, 6705/2.1=45...(13) H ALA 52 - QG2 VAL 57 far 0 78 0 - 4.7-5.9 H ALA 16 - QG2 VAL 57 far 0 73 0 - 6.0-31.9 H SER 51 - QG2 VAL 57 far 0 76 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 1803 from cnoeabs.peaks (4.59, 0.86, 19.35 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + QG2 VAL 57 OK 100 100 100 100 3.0-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 1804 from cnoeabs.peaks (2.09, 0.86, 19.35 ppm; 2.86 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 57 + QG2 VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 PRO 113 - QG2 VAL 57 far 3 60 5 - 3.4-13.5 HB2 GLN 61 - QG2 VAL 57 far 0 99 0 - 4.4-6.4 HB3 GLN 61 - QG2 VAL 57 far 0 97 0 - 4.8-6.4 HG3 PRO 58 - QG2 VAL 57 far 0 87 0 - 4.9-5.9 HB VAL 112 - QG2 VAL 57 far 0 63 0 - 7.0-13.8 HB3 GLN 27 - QG2 VAL 57 far 0 60 0 - 7.0-22.3 HB VAL 126 - QG2 VAL 57 far 0 92 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1805 from cnoeabs.peaks (0.86, 0.86, 19.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 57 + QG2 VAL 57 OK 100 100 - 100 Peak 1806 from cnoeabs.peaks (0.95, 0.86, 19.35 ppm; 2.55 A): 1 out of 10 assignments used, quality = 1.00: * QG1 VAL 57 + QG2 VAL 57 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 53 - QG2 VAL 57 poor 12 87 40 34 2.6-7.2 10338/9319=22...(3) QD1 LEU 123 - QG2 VAL 57 poor 4 81 25 22 3.2-8.6 10347/9319=15...(3) QD1 LEU 119 - QG2 VAL 57 lone 4 99 35 12 2.7-9.7 6707/1802=6, 3801/9316=4 QG2 VAL 112 - QG2 VAL 57 far 0 71 0 - 5.3-12.5 QG1 VAL 112 - QG2 VAL 57 far 0 85 0 - 5.8-10.8 QD1 LEU 48 - QG2 VAL 57 far 0 71 0 - 5.9-9.8 QG1 VAL 126 - QG2 VAL 57 far 0 99 0 - 7.1-10.0 QG2 VAL 126 - QG2 VAL 57 far 0 92 0 - 7.1-10.3 QG2 ILE 37 - QG2 VAL 57 far 0 95 0 - 9.6-17.9 Violated in 0 structures by 0.00 A. Peak 1807 from cnoeabs.peaks (8.01, 0.95, 21.50 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 57 + QG1 VAL 57 OK 100 100 100 100 3.3-3.8 4.1=92, 1802/2.1=89...(14) H ALA 52 - QG1 VAL 57 far 4 78 5 - 5.4-6.7 H ALA 16 - QG1 VAL 57 far 4 73 5 - 4.7-31.6 H SER 51 - QG1 VAL 57 far 0 76 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 1808 from cnoeabs.peaks (4.59, 0.95, 21.50 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + QG1 VAL 57 OK 100 100 100 100 1.9-2.3 3.2=100 Violated in 0 structures by 0.00 A. Peak 1809 from cnoeabs.peaks (2.09, 0.95, 21.50 ppm; 3.20 A): 4 out of 7 assignments used, quality = 1.00: * HB VAL 57 + QG1 VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 PRO 58 + QG1 VAL 57 OK 86 87 100 99 3.6-4.6 2.3/9309=56, 2.3/9308=55...(30) HB3 GLN 61 + QG1 VAL 57 OK 67 97 70 99 3.5-5.2 9378/2.1=47, 3.0/9377=36...(29) HB2 GLN 61 + QG1 VAL 57 OK 49 99 50 98 3.3-5.2 3.0/9377=36, ~9378=32...(27) HG3 PRO 113 - QG1 VAL 57 far 0 60 0 - 5.6-15.1 HB3 GLN 27 - QG1 VAL 57 far 0 60 0 - 6.5-23.2 HB VAL 112 - QG1 VAL 57 far 0 63 0 - 7.9-16.0 Violated in 0 structures by 0.00 A. Peak 1810 from cnoeabs.peaks (0.86, 0.95, 21.50 ppm; 2.79 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 57 + QG1 VAL 57 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 20 - QG1 VAL 57 far 0 60 0 - 5.1-22.8 QD2 LEU 123 - QG1 VAL 57 far 0 78 0 - 5.1-9.2 QD2 LEU 22 - QG1 VAL 57 far 0 81 0 - 5.7-22.9 QG2 ILE 32 - QG1 VAL 57 far 0 99 0 - 7.3-16.8 QD2 LEU 69 - QG1 VAL 57 far 0 99 0 - 8.1-13.0 Violated in 0 structures by 0.00 A. Peak 1811 from cnoeabs.peaks (0.95, 0.95, 21.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 57 + QG1 VAL 57 OK 100 100 - 100 Peak 1812 from cnoeabs.peaks (4.59, 3.62, 50.62 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HD2 PRO 58 OK 100 100 100 100 2.1-2.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1813 from cnoeabs.peaks (3.62, 4.59, 58.62 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 58 + HA VAL 57 OK 100 100 100 100 2.1-2.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1814 from cnoeabs.peaks (4.59, 3.82, 50.62 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HD3 PRO 58 OK 100 100 100 100 2.3-2.4 3.8=100 Violated in 0 structures by 0.00 A. Peak 1815 from cnoeabs.peaks (3.82, 4.59, 58.62 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 58 + HA VAL 57 OK 100 100 100 100 2.3-2.4 3.8=100 HA LEU 62 - HA VAL 57 far 0 68 0 - 7.0-8.6 HB2 SER 9 - HA VAL 57 far 0 90 0 - 9.4-53.4 HB3 SER 9 - HA VAL 57 far 0 92 0 - 9.4-51.8 Violated in 0 structures by 0.00 A. Peak 1816 from cnoeabs.peaks (4.45, 3.62, 50.62 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HD2 PRO 58 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 1817 from cnoeabs.peaks (1.95, 3.62, 50.62 ppm; 4.83 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HB2 GLU 30 - HD2 PRO 58 far 0 99 0 - 7.3-28.1 HG2 PRO 113 - HD2 PRO 58 far 0 89 0 - 7.6-16.7 HG LEU 53 - HD2 PRO 58 far 0 95 0 - 8.3-12.5 HB2 GLN 27 - HD2 PRO 58 far 0 90 0 - 9.3-25.7 HB2 MET 11 - HD2 PRO 58 far 0 68 0 - 9.4-46.9 Violated in 0 structures by 0.00 A. Peak 1818 from cnoeabs.peaks (2.41, 3.62, 50.62 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HG3 GLN 61 + HD2 PRO 58 OK 100 100 100 100 2.7-5.0 10935=98, 1.8/10934=74...(25) HG3 GLU 55 - HD2 PRO 58 far 5 92 5 - 6.5-10.2 Violated in 0 structures by 0.00 A. Peak 1819 from cnoeabs.peaks (2.03, 3.62, 50.62 ppm; 3.96 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 QE MET 11 - HD2 PRO 58 far 0 93 0 - 5.8-37.2 HB3 PRO 56 - HD2 PRO 58 far 0 68 0 - 6.0-6.9 HG2 PRO 56 - HD2 PRO 58 far 0 85 0 - 6.8-7.5 HB3 GLU 30 - HD2 PRO 58 far 0 99 0 - 6.9-27.4 HB VAL 20 - HD2 PRO 58 far 0 71 0 - 7.1-34.5 HB3 GLU 55 - HD2 PRO 58 far 0 92 0 - 7.2-9.1 HG3 PRO 56 - HD2 PRO 58 far 0 85 0 - 8.3-9.0 HB3 MET 11 - HD2 PRO 58 far 0 100 0 - 8.7-45.2 HB VAL 63 - HD2 PRO 58 far 0 100 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 1820 from cnoeabs.peaks (2.07, 3.62, 50.62 ppm; 3.80 A): 5 out of 7 assignments used, quality = 1.00: * HG3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB VAL 57 + HD2 PRO 58 OK 87 87 100 100 1.8-3.1 2.1/9309=78, 9302=72...(26) HB2 GLN 61 + HD2 PRO 58 OK 54 68 85 94 3.9-5.5 3.0/10935=38...(27) HB3 GLN 61 + HD2 PRO 58 OK 54 60 95 94 2.5-5.6 3.0/10935=38...(26) HB2 LEU 62 + HD2 PRO 58 OK 22 92 50 49 4.5-7.2 ~1983=11, 1973/1.8=9...(10) HG3 PRO 113 - HD2 PRO 58 far 0 97 0 - 6.3-16.7 HB3 GLN 27 - HD2 PRO 58 far 0 97 0 - 9.4-26.3 Violated in 0 structures by 0.00 A. Peak 1821 from cnoeabs.peaks (3.62, 3.62, 50.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 58 + HD2 PRO 58 OK 100 100 - 100 Peak 1822 from cnoeabs.peaks (3.82, 3.62, 50.62 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 62 - HD2 PRO 58 far 0 68 0 - 5.9-7.4 HB3 SER 9 - HD2 PRO 58 far 0 92 0 - 8.8-49.9 HB2 SER 9 - HD2 PRO 58 far 0 90 0 - 9.1-51.5 Violated in 0 structures by 0.00 A. Peak 1824 from cnoeabs.peaks (4.45, 3.82, 50.62 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1825 from cnoeabs.peaks (1.95, 3.82, 50.62 ppm; 4.53 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HG2 PRO 113 - HD3 PRO 58 far 0 89 0 - 7.1-16.2 HB2 GLU 30 - HD3 PRO 58 far 0 99 0 - 8.1-29.5 HB2 MET 11 - HD3 PRO 58 far 0 68 0 - 9.1-48.3 HG LEU 53 - HD3 PRO 58 far 0 95 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1826 from cnoeabs.peaks (2.41, 3.82, 50.62 ppm; 4.85 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HG3 GLN 61 + HD3 PRO 58 OK 90 100 90 100 4.2-6.7 10935/1.8=77...(23) HG3 GLU 55 - HD3 PRO 58 far 0 92 0 - 6.9-10.7 Violated in 0 structures by 0.00 A. Peak 1827 from cnoeabs.peaks (2.03, 3.82, 50.62 ppm; 3.67 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 QE MET 11 - HD3 PRO 58 far 5 93 5 - 5.0-38.4 HB3 PRO 56 - HD3 PRO 58 far 3 68 5 - 5.0-6.3 HG2 PRO 56 - HD3 PRO 58 far 0 85 0 - 6.3-7.2 HB3 GLU 30 - HD3 PRO 58 far 0 99 0 - 7.2-28.9 HG3 PRO 56 - HD3 PRO 58 far 0 85 0 - 7.5-8.6 HB3 GLU 55 - HD3 PRO 58 far 0 92 0 - 7.7-9.3 HB VAL 20 - HD3 PRO 58 far 0 71 0 - 8.0-35.9 HB3 MET 11 - HD3 PRO 58 far 0 100 0 - 8.4-46.6 HB VAL 63 - HD3 PRO 58 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1828 from cnoeabs.peaks (2.07, 3.82, 50.62 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 57 + HD3 PRO 58 OK 87 87 100 100 3.3-4.3 2.1/9308=71, 9302/1.8=52...(24) HB3 GLN 61 - HD3 PRO 58 poor 20 60 35 95 4.1-7.3 ~10935=24, ~10934=23...(30) HB2 GLN 61 - HD3 PRO 58 far 0 68 0 - 5.4-7.2 HG3 PRO 113 - HD3 PRO 58 far 0 97 0 - 5.5-16.4 HB2 LEU 62 - HD3 PRO 58 far 0 92 0 - 5.8-8.4 Violated in 0 structures by 0.00 A. Peak 1829 from cnoeabs.peaks (3.62, 3.82, 50.62 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1830 from cnoeabs.peaks (3.82, 3.82, 50.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 58 + HD3 PRO 58 OK 100 100 - 100 Peak 1832 from cnoeabs.peaks (4.45, 4.45, 62.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HA PRO 58 OK 100 100 - 100 Peak 1833 from cnoeabs.peaks (1.95, 4.45, 62.57 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 58 + HA PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 113 - HA PRO 58 poor 18 89 20 - 3.9-13.0 HB2 GLU 30 - HA PRO 58 far 0 99 0 - 9.6-28.0 Violated in 0 structures by 0.00 A. Peak 1834 from cnoeabs.peaks (2.41, 4.45, 62.57 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HA PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HG3 GLN 61 + HA PRO 58 OK 25 100 30 85 4.7-7.3 10935/3.6=35...(16) HG3 GLU 55 - HA PRO 58 far 0 92 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 1835 from cnoeabs.peaks (2.03, 4.45, 62.57 ppm; 4.07 A): 1 out of 9 assignments used, quality = 1.00: * HG2 PRO 58 + HA PRO 58 OK 100 100 100 100 3.9-4.0 3.8=100 HB3 PRO 56 - HA PRO 58 far 0 68 0 - 6.5-7.4 QE MET 11 - HA PRO 58 far 0 93 0 - 6.6-40.3 HB VAL 63 - HA PRO 58 far 0 100 0 - 7.8-8.9 HG2 PRO 56 - HA PRO 58 far 0 85 0 - 8.1-9.0 HB VAL 20 - HA PRO 58 far 0 71 0 - 8.6-37.5 HB3 GLU 30 - HA PRO 58 far 0 99 0 - 8.8-27.5 HG3 PRO 56 - HA PRO 58 far 0 85 0 - 9.1-10.0 HB3 GLU 55 - HA PRO 58 far 0 92 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 1836 from cnoeabs.peaks (2.07, 4.45, 62.57 ppm; 4.80 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 58 + HA PRO 58 OK 100 100 100 100 3.9-4.0 3.8=100 HB VAL 57 + HA PRO 58 OK 85 87 100 98 4.6-4.9 9302/3.6=58, ~10929=49...(12) HB2 LEU 62 + HA PRO 58 OK 47 92 85 60 4.8-6.6 6713/6709=22...(9) HB3 GLN 61 - HA PRO 58 poor 18 60 40 74 5.3-8.3 1844/2.3=24, 3.0/1834=17...(11) HG3 PRO 113 - HA PRO 58 lone 4 97 25 14 2.4-13.0 2.3/11566=6, 1864=5, 2.3/11508=2 HB2 GLN 61 - HA PRO 58 far 0 68 0 - 6.9-8.1 HB VAL 118 - HA PRO 58 far 0 92 0 - 9.3-17.7 Violated in 0 structures by 0.00 A. Peak 1837 from cnoeabs.peaks (3.62, 4.45, 62.57 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 58 + HA PRO 58 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 1838 from cnoeabs.peaks (3.82, 4.45, 62.57 ppm; 5.68 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 58 + HA PRO 58 OK 100 100 100 100 3.6-3.6 3.6=100 HA LEU 62 - HA PRO 58 far 3 68 5 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 1839 from cnoeabs.peaks (8.89, 4.45, 62.57 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 59 + HA PRO 58 OK 100 100 100 100 2.3-2.6 6709=100, 6710/2.3=47...(9) Violated in 0 structures by 0.00 A. Peak 1840 from cnoeabs.peaks (4.45, 1.95, 32.16 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * HA PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HA ASN 120 - HB3 LYS 95 far 0 42 0 - 8.4-12.5 HA SER 106 - HB2 PRO 58 far 0 100 0 - 9.1-17.9 HA ASP 64 - HB2 PRO 58 far 0 100 0 - 9.8-12.0 HA ASN 120 - HB2 LYS 95 far 0 37 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 1841 from cnoeabs.peaks (1.95, 1.95, 32.16 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 PRO 58 + HB2 PRO 58 OK 100 100 - 100 HB3 LYS 95 + HB3 LYS 95 OK 80 80 - 100 HB2 LYS 95 + HB2 LYS 95 OK 70 70 - 100 Peak 1842 from cnoeabs.peaks (2.41, 1.95, 32.16 ppm; 3.19 A): 2 out of 8 assignments used, quality = 1.00: * HB3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 61 + HB2 PRO 58 OK 31 100 35 87 3.7-6.9 10935/3.0=25...(21) HG3 GLU 97 - HB2 LYS 95 far 0 73 0 - 5.8-8.8 HG3 GLU 97 - HB3 LYS 95 far 0 80 0 - 6.3-9.3 HG3 GLU 128 - HB2 LYS 95 far 0 72 0 - 7.0-10.8 HG3 GLU 128 - HB3 LYS 95 far 0 79 0 - 7.9-12.2 HG2 GLN 101 - HB3 LYS 95 far 0 77 0 - 8.2-10.4 HG2 GLN 101 - HB2 LYS 95 far 0 70 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 1843 from cnoeabs.peaks (2.03, 1.95, 32.16 ppm; 4.35 A): 1 out of 18 assignments used, quality = 1.00: * HG2 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 GLU 91 - HB2 LYS 95 far 8 75 10 - 5.4-7.4 QE MET 11 - HB2 PRO 58 far 5 93 5 - 5.5-38.9 HB3 GLU 91 - HB3 LYS 95 far 4 83 5 - 5.5-8.8 HB3 GLU 30 - HB2 PRO 58 far 0 99 0 - 6.4-27.0 HB VAL 63 - HB2 PRO 58 far 0 100 0 - 6.9-8.8 HB3 PRO 56 - HB2 PRO 58 far 0 68 0 - 7.5-9.5 HB ILE 129 - HB2 LYS 95 far 0 49 0 - 7.6-10.1 HB3 PRO 117 - HB3 LYS 95 far 0 68 0 - 7.7-12.9 HB VAL 20 - HB2 PRO 58 far 0 71 0 - 8.0-35.4 HG2 PRO 117 - HB3 LYS 95 far 0 49 0 - 8.2-14.1 HG2 ARG 90 - HB2 LYS 95 far 0 76 0 - 8.3-12.5 HB ILE 129 - HB3 LYS 95 far 0 55 0 - 8.6-11.2 HB3 MET 11 - HB2 PRO 58 far 0 100 0 - 9.0-47.0 HG2 PRO 56 - HB2 PRO 58 far 0 85 0 - 9.1-10.7 HB3 PRO 117 - HB2 LYS 95 far 0 61 0 - 9.2-14.4 HG3 PRO 117 - HB3 LYS 95 far 0 55 0 - 9.2-14.2 HG2 PRO 117 - HB2 LYS 95 far 0 43 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 1844 from cnoeabs.peaks (2.07, 1.95, 32.16 ppm; 3.32 A): 2 out of 18 assignments used, quality = 1.00: * HG3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 GLN 61 + HB2 PRO 58 OK 32 60 60 89 3.9-7.5 4.0/10981=15, ~10935=14...(32) HG3 PRO 113 - HB2 PRO 58 far 5 97 5 - 4.1-14.8 HB VAL 57 - HB2 PRO 58 far 0 87 0 - 5.1-5.8 HB2 LEU 62 - HB2 PRO 58 far 0 92 0 - 5.3-7.5 HB2 GLN 61 - HB2 PRO 58 far 0 68 0 - 5.4-7.1 HB2 GLU 128 - HB2 LYS 95 far 0 73 0 - 6.7-9.1 HB VAL 118 - HB3 LYS 95 far 0 73 0 - 6.8-11.8 HB2 GLU 128 - HB3 LYS 95 far 0 80 0 - 7.2-10.1 HG2 PRO 117 - HB3 LYS 95 far 0 68 0 - 8.2-14.1 HB VAL 118 - HB2 LYS 95 far 0 65 0 - 8.5-13.0 HB2 GLU 102 - HB3 LYS 95 far 0 79 0 - 8.9-12.5 HG3 PRO 117 - HB3 LYS 95 far 0 62 0 - 9.2-14.2 HB2 GLN 127 - HB2 LYS 95 far 0 65 0 - 9.2-12.8 HB3 GLN 27 - HB2 PRO 58 far 0 97 0 - 9.3-24.1 HB3 GLN 27 - HB3 LYS 95 far 0 78 0 - 9.5-29.1 HB3 GLN 27 - HB2 LYS 95 far 0 71 0 - 9.6-28.3 HG2 PRO 117 - HB2 LYS 95 far 0 61 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 1845 from cnoeabs.peaks (3.62, 1.95, 32.16 ppm; 5.62 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 58 + HB2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HA3 GLY 66 - HB3 LYS 95 far 0 73 0 - 9.8-13.1 HA2 GLY 66 - HB3 LYS 95 far 0 79 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 1846 from cnoeabs.peaks (3.82, 1.95, 32.16 ppm; 5.04 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HA VAL 118 - HB3 LYS 95 far 8 84 10 - 4.6-10.0 HA VAL 118 - HB2 LYS 95 far 4 76 5 - 6.3-11.2 HA LEU 62 - HB2 PRO 58 far 0 68 0 - 7.0-8.6 HA ARG 90 - HB2 LYS 95 far 0 45 0 - 8.0-9.7 HA LEU 123 - HB2 LYS 95 far 0 41 0 - 8.4-11.2 HA LEU 123 - HB3 LYS 95 far 0 47 0 - 8.5-11.3 HA ARG 90 - HB3 LYS 95 far 0 51 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 1847 from cnoeabs.peaks (8.89, 1.95, 32.16 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB2 PRO 58 OK 100 100 100 100 2.2-3.4 4.3=100 H GLY 66 - HB2 PRO 58 far 0 99 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 1848 from cnoeabs.peaks (4.45, 2.41, 32.16 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HB3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1849 from cnoeabs.peaks (1.95, 2.41, 32.16 ppm; 3.10 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 113 - HB3 PRO 58 far 0 89 0 - 5.9-14.8 HB2 GLU 30 - HB3 PRO 58 far 0 99 0 - 8.4-29.1 HB2 GLN 27 - HB3 PRO 58 far 0 90 0 - 9.1-25.4 HB2 MET 11 - HB3 PRO 58 far 0 68 0 - 9.8-49.7 Violated in 0 structures by 0.00 A. Peak 1850 from cnoeabs.peaks (2.41, 2.41, 32.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 58 + HB3 PRO 58 OK 100 100 - 100 Peak 1851 from cnoeabs.peaks (2.03, 2.41, 32.16 ppm; 3.40 A): 1 out of 9 assignments used, quality = 1.00: * HG2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 QE MET 11 - HB3 PRO 58 far 5 93 5 - 4.8-39.6 HB VAL 20 - HB3 PRO 58 far 0 71 0 - 6.7-36.6 HB3 GLU 30 - HB3 PRO 58 far 0 99 0 - 6.9-28.6 HB VAL 63 - HB3 PRO 58 far 0 100 0 - 7.1-9.4 HB3 PRO 56 - HB3 PRO 58 far 0 68 0 - 7.2-8.8 HB3 MET 11 - HB3 PRO 58 far 0 100 0 - 8.7-48.0 HG2 PRO 56 - HB3 PRO 58 far 0 85 0 - 8.8-10.2 HG3 PRO 56 - HB3 PRO 58 far 0 85 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 1852 from cnoeabs.peaks (2.07, 2.41, 32.16 ppm; 3.74 A): 2 out of 7 assignments used, quality = 1.00: * HG3 PRO 58 + HB3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 57 + HB3 PRO 58 OK 22 87 25 99 5.2-6.0 2.1/10929=45...(26) HB3 GLN 61 - HB3 PRO 58 poor 18 60 30 - 4.3-8.5 HG3 PRO 113 - HB3 PRO 58 far 5 97 5 - 4.7-14.8 HB2 GLN 61 - HB3 PRO 58 far 0 68 0 - 5.7-8.2 HB2 LEU 62 - HB3 PRO 58 far 0 92 0 - 6.1-8.1 HB3 GLN 27 - HB3 PRO 58 far 0 97 0 - 9.5-25.9 Violated in 0 structures by 0.00 A. Peak 1853 from cnoeabs.peaks (3.62, 2.41, 32.16 ppm; 5.40 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1854 from cnoeabs.peaks (3.82, 2.41, 32.16 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 58 + HB3 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HA LEU 62 - HB3 PRO 58 far 0 68 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 1855 from cnoeabs.peaks (8.89, 2.41, 32.16 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 59 + HB3 PRO 58 OK 100 100 100 100 2.4-3.6 4.3=100 Violated in 0 structures by 0.00 A. Peak 1856 from cnoeabs.peaks (4.45, 2.03, 27.78 ppm; 4.86 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 58 + HG2 PRO 58 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 58 - HG2 PRO 56 far 0 51 0 - 8.1-9.0 HB THR 54 - HG3 PRO 56 far 0 47 0 - 8.5-10.6 HB THR 54 - HG2 PRO 56 far 0 47 0 - 8.8-10.3 HA PRO 58 - HG3 PRO 56 far 0 51 0 - 9.1-10.0 HA ASP 64 - HG2 PRO 58 far 0 100 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1857 from cnoeabs.peaks (1.95, 2.03, 27.78 ppm; 4.35 A): 3 out of 12 assignments used, quality = 1.00: * HB2 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 ARG 90 + HG2 ARG 90 OK 61 61 100 100 2.2-3.0 2.9=100 HB3 LYS 86 + HG2 ARG 90 OK 31 60 55 94 3.5-8.2 9823/9662=35...(21) HG2 PRO 113 - HG3 PRO 56 far 2 40 5 - 5.1-16.6 HB2 GLU 30 - HG2 PRO 58 far 0 99 0 - 6.1-29.0 HG2 PRO 113 - HG2 PRO 56 far 0 40 0 - 6.4-17.1 HG2 PRO 113 - HG2 PRO 58 far 0 89 0 - 7.8-17.0 HB2 MET 11 - HG2 PRO 58 far 0 68 0 - 8.0-47.6 HB2 LYS 95 - HG2 ARG 90 far 0 55 0 - 8.3-12.5 HB2 PRO 58 - HG2 PRO 56 far 0 51 0 - 9.1-10.7 HB2 GLU 30 - HG2 ARG 90 far 0 59 0 - 9.9-31.6 HB3 PRO 81 - HG2 ARG 90 far 0 61 0 - 10.0-15.1 Violated in 0 structures by 0.00 A. Peak 1858 from cnoeabs.peaks (2.41, 2.03, 27.78 ppm; 3.58 A): 2 out of 10 assignments used, quality = 1.00: * HB3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 GLN 61 + HG2 PRO 58 OK 46 100 50 91 3.5-6.6 10935/2.3=36, ~10934=27...(18) HG3 GLU 55 - HG2 PRO 56 far 4 42 10 - 2.9-7.2 HG3 GLU 55 - HG3 PRO 56 far 4 42 10 - 4.2-7.7 HB3 PRO 58 - HG2 PRO 56 far 0 51 0 - 8.8-10.2 HG3 GLU 97 - HG2 ARG 90 far 0 57 0 - 8.8-13.8 HG3 GLU 55 - HG2 PRO 58 far 0 92 0 - 8.9-12.7 HG3 GLU 128 - HG2 ARG 90 far 0 57 0 - 9.2-14.9 HG3 GLN 61 - HG2 PRO 56 far 0 50 0 - 9.3-10.6 HB3 PRO 58 - HG3 PRO 56 far 0 51 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 1859 from cnoeabs.peaks (2.03, 2.03, 27.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 PRO 58 + HG2 PRO 58 OK 100 100 - 100 HG2 ARG 90 + HG2 ARG 90 OK 61 61 - 100 HG2 PRO 56 + HG2 PRO 56 OK 37 37 - 100 HG3 PRO 56 + HG3 PRO 56 OK 37 37 - 100 Peak 1860 from cnoeabs.peaks (2.07, 2.03, 27.78 ppm; 2.50 A): 1 out of 16 assignments used, quality = 1.00: * HG3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 61 - HG2 PRO 58 poor 18 60 30 - 3.4-7.2 HB VAL 57 - HG2 PRO 58 far 4 87 5 - 3.7-5.6 HG3 PRO 113 - HG3 PRO 56 far 2 46 5 - 3.4-17.6 HB2 GLN 61 - HG2 PRO 58 far 0 68 0 - 4.6-6.4 HG3 PRO 113 - HG2 PRO 56 far 0 46 0 - 4.8-18.0 HB2 LEU 62 - HG2 PRO 58 far 0 92 0 - 6.1-8.5 HG3 PRO 113 - HG2 PRO 58 far 0 97 0 - 6.2-16.9 HB VAL 57 - HG2 PRO 56 far 0 38 0 - 7.0-7.4 HB VAL 57 - HG3 PRO 56 far 0 38 0 - 8.4-8.6 HG3 PRO 58 - HG2 PRO 56 far 0 51 0 - 9.0-9.7 HG3 PRO 81 - HG2 ARG 90 far 0 44 0 - 9.2-14.1 HB3 GLN 61 - HG2 PRO 56 far 0 24 0 - 9.4-12.1 HB2 LEU 62 - HG2 PRO 56 far 0 42 0 - 9.6-11.9 HB2 GLU 128 - HG2 ARG 90 far 0 57 0 - 9.7-12.8 HB2 GLN 61 - HG2 PRO 56 far 0 28 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1861 from cnoeabs.peaks (3.62, 2.03, 27.78 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 0 51 0 - 6.8-7.5 HD2 PRO 58 - HG3 PRO 56 far 0 51 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1862 from cnoeabs.peaks (3.82, 2.03, 27.78 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 90 + HG2 ARG 90 OK 35 35 100 100 3.1-4.0 3.8=94, 2824/1.8=49...(24) HD3 PRO 58 - HG2 PRO 56 far 0 51 0 - 6.3-7.2 HA LEU 62 - HG2 PRO 58 far 0 68 0 - 6.9-8.9 HD3 PRO 58 - HG3 PRO 56 far 0 51 0 - 7.5-8.6 HB3 SER 9 - HG2 PRO 58 far 0 92 0 - 8.8-50.3 HB2 SER 9 - HG2 PRO 58 far 0 90 0 - 9.6-51.8 HB2 SER 9 - HG2 PRO 56 far 0 41 0 - 9.9-55.4 Violated in 0 structures by 0.00 A. Peak 1863 from cnoeabs.peaks (8.89, 2.03, 27.78 ppm; 5.18 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 59 + HG2 PRO 58 OK 100 100 100 100 4.3-5.3 6710/2.3=92, 6709/3.8=87...(10) H THR 83 - HG2 ARG 90 far 0 56 0 - 9.2-12.4 H GLY 66 - HG2 PRO 58 far 0 99 0 - 9.9-12.1 Violated in 4 structures by 0.01 A. Peak 1864 from cnoeabs.peaks (4.45, 2.07, 27.78 ppm; 4.83 A): 1 out of 8 assignments used, quality = 1.00: * HA PRO 58 + HG3 PRO 58 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 58 - HG3 PRO 113 poor 15 60 25 - 2.4-13.0 HB THR 54 - HB2 GLN 127 far 4 73 5 - 6.0-12.5 HA SER 106 - HG3 PRO 113 far 0 59 0 - 6.8-20.2 HA ASN 120 - HB2 GLN 127 far 0 37 0 - 6.9-9.8 HB THR 54 - HG3 PRO 113 far 0 56 0 - 8.2-21.4 HA ASP 64 - HG3 PRO 58 far 0 100 0 - 9.4-11.6 HA ASN 120 - HG3 PRO 113 far 0 28 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 1865 from cnoeabs.peaks (1.95, 2.07, 27.78 ppm; 3.19 A): 2 out of 11 assignments used, quality = 1.00: * HB2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 113 + HG3 PRO 113 OK 47 47 100 100 1.8-1.8 1.8=100 HB2 PRO 58 - HG3 PRO 113 far 3 60 5 - 4.1-14.8 HG LEU 53 - HB2 GLN 127 far 0 68 0 - 5.1-9.1 HB2 GLU 30 - HG3 PRO 58 far 0 99 0 - 6.6-27.3 HG2 PRO 113 - HG3 PRO 58 far 0 89 0 - 7.6-16.6 HG LEU 53 - HG3 PRO 113 far 0 52 0 - 8.3-20.4 HG LEU 53 - HG3 PRO 58 far 0 95 0 - 9.1-14.2 HB2 MET 11 - HG3 PRO 58 far 0 68 0 - 9.1-46.8 HB2 LYS 95 - HB2 GLN 127 far 0 69 0 - 9.2-12.8 HB2 GLN 27 - HG3 PRO 58 far 0 90 0 - 9.5-24.0 Violated in 0 structures by 0.00 A. Peak 1866 from cnoeabs.peaks (2.41, 2.07, 27.78 ppm; 4.52 A): 3 out of 7 assignments used, quality = 1.00: * HB3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 GLN 61 + HG3 PRO 58 OK 98 100 100 98 2.0-5.1 10935/2.3=63, ~10934=45...(21) HG3 GLU 128 + HB2 GLN 127 OK 23 72 35 93 4.6-7.3 4110/4.7=50...(14) HB3 PRO 58 - HG3 PRO 113 poor 12 60 20 - 4.7-14.8 HG3 GLU 55 - HG3 PRO 113 far 0 50 0 - 6.8-20.6 HG3 GLN 61 - HG3 PRO 113 far 0 60 0 - 8.6-17.2 HG3 GLU 55 - HG3 PRO 58 far 0 92 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 1867 from cnoeabs.peaks (2.03, 2.07, 27.78 ppm; 2.50 A): 1 out of 19 assignments used, quality = 1.00: * HG2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 56 - HG3 PRO 113 far 2 44 5 - 3.4-17.6 HB3 PRO 56 - HG3 PRO 113 far 2 34 5 - 3.7-15.7 HG2 PRO 56 - HG3 PRO 113 far 0 44 0 - 4.8-18.0 QE MET 11 - HG3 PRO 58 far 0 93 0 - 5.3-37.2 HB3 GLU 30 - HG3 PRO 58 far 0 99 0 - 5.4-26.7 HB3 GLU 55 - HG3 PRO 113 far 0 50 0 - 5.5-19.4 HG2 PRO 58 - HG3 PRO 113 far 0 60 0 - 6.2-16.9 HB ILE 129 - HB2 GLN 127 far 0 49 0 - 6.3-7.0 HB VAL 63 - HG3 PRO 58 far 0 100 0 - 7.2-9.2 HG2 PRO 117 - HG3 PRO 113 far 0 32 0 - 7.4-15.2 HB VAL 63 - HG3 PRO 113 far 0 59 0 - 7.5-16.6 HB3 PRO 56 - HG3 PRO 58 far 0 68 0 - 7.9-8.9 HB3 MET 11 - HG3 PRO 58 far 0 100 0 - 8.0-45.1 QE MET 11 - HG3 PRO 113 far 0 51 0 - 8.2-44.5 HG3 PRO 117 - HG3 PRO 113 far 0 37 0 - 8.3-15.3 HB VAL 20 - HG3 PRO 58 far 0 71 0 - 8.5-33.8 HG2 PRO 56 - HG3 PRO 58 far 0 85 0 - 9.0-9.7 HB3 GLU 55 - HG3 PRO 58 far 0 92 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 1868 from cnoeabs.peaks (2.07, 2.07, 27.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 PRO 58 + HG3 PRO 58 OK 100 100 - 100 HB2 GLN 127 + HB2 GLN 127 OK 65 65 - 100 HG3 PRO 113 + HG3 PRO 113 OK 54 54 - 100 Peak 1869 from cnoeabs.peaks (3.62, 2.07, 27.78 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 58 - HG3 PRO 113 far 0 60 0 - 6.3-16.7 HA2 GLY 66 - HB2 GLN 127 far 0 72 0 - 8.4-11.5 HA3 GLY 66 - HB2 GLN 127 far 0 65 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 1870 from cnoeabs.peaks (3.82, 2.07, 27.78 ppm; 4.25 A): 4 out of 8 assignments used, quality = 1.00: * HD3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 SER 50 + HB2 GLN 127 OK 51 60 95 88 2.2-6.0 4037/3.0=19, ~11498=18...(20) HA LEU 123 + HB2 GLN 127 OK 23 41 65 85 4.3-6.7 4.9/3966=37...(14) HB2 SER 130 + HB2 GLN 127 OK 21 77 30 92 4.7-6.6 ~4181=46, ~4181=40...(13) HD3 PRO 58 - HG3 PRO 113 far 3 60 5 - 5.5-16.4 HA LEU 62 - HG3 PRO 58 far 0 68 0 - 5.8-8.6 HA LEU 62 - HG3 PRO 113 far 0 34 0 - 8.4-16.7 HB3 SER 9 - HG3 PRO 58 far 0 92 0 - 9.7-49.5 Violated in 0 structures by 0.00 A. Peak 1872 from cnoeabs.peaks (8.89, 4.33, 56.25 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 59 + HA ASN 59 OK 100 100 100 100 2.8-2.9 2.9=100 H GLY 66 - HA ASN 59 far 0 99 0 - 6.9-7.9 H GLY 66 - HA LYS 24 far 0 91 0 - 9.4-23.2 Violated in 0 structures by 0.00 A. Peak 1873 from cnoeabs.peaks (4.33, 4.33, 56.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ASN 59 + HA ASN 59 OK 100 100 - 100 HA LYS 24 + HA LYS 24 OK 94 94 - 100 HA ASP 47 + HA ASP 47 OK 49 49 - 100 Peak 1874 from cnoeabs.peaks (2.62, 4.33, 56.25 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 59 + HA ASN 59 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLN 134 - HA ASP 47 far 0 24 0 - 7.7-12.3 HB2 ASP 71 - HA LYS 24 far 0 90 0 - 8.4-23.3 Violated in 0 structures by 0.00 A. Peak 1875 from cnoeabs.peaks (2.87, 4.33, 56.25 ppm; 4.68 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 59 + HA ASN 59 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 poor 15 73 45 46 4.1-14.7 11830/10350=19...(7) HE2 LYS 95 - HA LYS 24 far 0 93 0 - 6.4-35.1 HB3 ASP 131 - HA ASP 47 far 0 49 0 - 7.1-10.7 HE3 LYS 95 - HA LYS 24 far 0 93 0 - 8.1-34.4 HB2 ASN 116 - HA LYS 24 far 0 64 0 - 9.3-33.6 Violated in 0 structures by 0.00 A. Peak 1878 from cnoeabs.peaks (8.66, 4.33, 56.25 ppm; 5.30 A): 2 out of 11 assignments used, quality = 1.00: * H SER 60 + HA ASN 59 OK 100 100 100 100 3.4-3.5 3.6=100 H SER 50 + HA ASP 47 OK 51 51 100 100 3.1-3.9 6590/3.6=70, 3.1/6629=65...(18) H HIS 7 - HA ASP 47 far 1 27 5 - 5.4-57.6 H LYS 39 - HA LYS 24 far 0 73 0 - 7.1-30.5 H HIS 8 - HA ASP 47 far 0 49 0 - 7.2-53.4 H HIS 67 - HA LYS 24 far 0 89 0 - 7.8-23.6 H HIS 67 - HA ASN 59 far 0 97 0 - 7.9-9.2 H HIS 7 - HA LYS 24 far 0 54 0 - 7.9-33.6 H HIS 8 - HA LYS 24 far 0 90 0 - 8.9-30.3 H SER 50 - HA LYS 24 far 0 92 0 - 8.9-28.7 H SER 60 - HA LYS 24 far 0 94 0 - 9.6-29.3 Violated in 0 structures by 0.00 A. Peak 1879 from cnoeabs.peaks (7.43, 4.33, 56.25 ppm; 4.79 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 62 + HA ASN 59 OK 100 100 100 100 3.1-3.6 6780=100, 3.9/1880=73...(17) H GLN 61 + HA ASN 59 OK 93 95 100 99 4.1-4.7 3.9/6780=58, 6750/3.6=57...(15) HE22 GLN 104 - HA ASN 59 far 15 99 15 - 5.0-9.6 H GLN 61 - HA LYS 24 far 0 86 0 - 7.5-26.7 HE22 GLN 104 - HA LYS 24 far 0 92 0 - 8.1-30.7 H LEU 62 - HA LYS 24 far 0 94 0 - 9.2-26.4 Violated in 0 structures by 0.00 A. Peak 1880 from cnoeabs.peaks (2.06, 4.33, 56.25 ppm; 4.30 A): 2 out of 22 assignments used, quality = 1.00: * HB2 LEU 62 + HA ASN 59 OK 100 100 100 100 2.5-4.1 3.2/9388=69, 1.8/9360=58...(26) HG3 PRO 58 + HA ASN 59 OK 84 92 95 97 5.3-6.7 2.3/11279=39, ~6710=38...(21) HG3 PRO 113 - HA ASN 59 far 10 100 10 - 3.6-12.6 HB2 GLN 127 - HA ASP 47 far 5 53 10 - 5.0-8.3 HB3 GLU 40 - HA LYS 24 far 4 71 5 - 3.8-34.1 HB3 GLN 27 - HA ASP 47 far 3 52 5 - 5.5-27.4 HB3 GLN 27 - HA LYS 24 far 0 93 0 - 6.0-12.9 HB VAL 118 - HA ASN 59 far 0 100 0 - 6.2-14.5 HB VAL 118 - HA LYS 24 far 0 94 0 - 6.7-31.9 HB3 GLU 44 - HA LYS 24 far 0 71 0 - 6.8-29.9 HB3 GLU 55 - HA LYS 24 far 0 83 0 - 7.0-31.7 HB3 GLU 44 - HA ASP 47 far 0 36 0 - 7.1-8.0 HB3 GLN 27 - HA ASN 59 far 0 100 0 - 7.3-22.1 HG3 GLN 134 - HA ASP 47 far 0 31 0 - 7.4-10.8 HG3 PRO 58 - HA LYS 24 far 0 83 0 - 7.4-28.3 HB2 GLU 102 - HA LYS 24 far 0 62 0 - 8.2-35.5 HG2 PRO 117 - HA LYS 24 far 0 94 0 - 8.8-36.7 HB3 LYS 39 - HA LYS 24 far 0 69 0 - 9.0-32.3 QE MET 11 - HA ASN 59 far 0 90 0 - 9.3-39.4 QE MET 11 - HA LYS 24 far 0 81 0 - 9.4-18.2 HG3 PRO 117 - HA ASN 59 far 0 99 0 - 9.5-19.9 HG2 PRO 117 - HA ASN 59 far 0 100 0 - 9.5-18.7 Violated in 0 structures by 0.00 A. Peak 1881 from cnoeabs.peaks (1.14, 4.33, 56.25 ppm; 6.80 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 62 + HA ASN 59 OK 100 100 100 100 1.8-3.1 1980=100, 1.8/1880=100...(28) QG2 THR 115 + HA ASN 59 OK 47 97 70 69 5.2-11.5 10195/11837=36...(4) QG2 THR 18 - HA LYS 24 poor 20 57 35 - 2.4-12.9 QB ALA 41 - HA LYS 24 far 9 59 15 - 4.3-23.3 HG3 LYS 39 - HA LYS 24 far 4 87 5 - 7.0-33.4 QG2 THR 18 - HA ASN 59 far 3 65 5 - 7.7-33.1 HG12 ILE 32 - HA LYS 24 lone 1 77 30 3 4.5-15.8 QG2 VAL 132 - HA ASP 47 far 0 51 0 - 8.5-12.3 QG2 THR 18 - HA ASP 47 far 0 28 0 - 8.5-33.1 HG2 LYS 39 - HA LYS 24 far 0 89 0 - 8.8-32.5 QB ALA 41 - HA ASP 47 far 0 29 0 - 9.2-10.1 QG1 VAL 132 - HA ASP 47 far 0 45 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 1882 from cnoeabs.peaks (8.89, 2.62, 38.37 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB2 ASN 59 OK 100 100 100 100 2.1-2.6 4.0=100 H GLY 66 - HB2 ASN 59 far 0 99 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 1883 from cnoeabs.peaks (4.33, 2.62, 38.37 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB2 ASN 59 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1884 from cnoeabs.peaks (2.62, 2.62, 38.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HB2 ASN 59 OK 100 100 - 100 Peak 1885 from cnoeabs.peaks (2.87, 2.62, 38.37 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 59 + HB2 ASN 59 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 116 - HB2 ASN 59 poor 15 73 20 - 3.4-15.1 Violated in 0 structures by 0.00 A. Peak 1886 from cnoeabs.peaks (6.60, 2.62, 38.37 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HB2 ASN 59 OK 100 100 100 100 2.6-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 1887 from cnoeabs.peaks (7.79, 2.62, 38.37 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + HB2 ASN 59 OK 100 100 100 100 2.1-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 1888 from cnoeabs.peaks (8.66, 2.62, 38.37 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * H SER 60 + HB2 ASN 59 OK 100 100 100 100 2.8-3.8 4.5=100 H HIS 67 - HB2 ASN 59 far 0 97 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1889 from cnoeabs.peaks (8.89, 2.87, 38.37 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.6-3.6 4.0=100 H GLY 66 - HB3 ASN 59 far 0 99 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 1890 from cnoeabs.peaks (4.33, 2.87, 38.37 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1891 from cnoeabs.peaks (2.62, 2.87, 38.37 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HB3 ASN 59 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1892 from cnoeabs.peaks (2.87, 2.87, 38.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 59 + HB3 ASN 59 OK 100 100 - 100 Peak 1893 from cnoeabs.peaks (6.60, 2.87, 38.37 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.1-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 1894 from cnoeabs.peaks (7.79, 2.87, 38.37 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.1-3.7 3.5=100 HD22 ASN 121 - HB3 ASN 59 far 0 92 0 - 9.4-17.8 Violated in 0 structures by 0.00 A. Peak 1895 from cnoeabs.peaks (8.66, 2.87, 38.37 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H SER 60 + HB3 ASN 59 OK 100 100 100 100 2.9-4.4 4.5=100 H HIS 67 - HB3 ASN 59 far 0 97 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 1896 from cnoeabs.peaks (8.66, 4.01, 60.84 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H SER 60 + HA SER 60 OK 100 100 100 100 2.8-2.9 2.8=100 H HIS 67 - HA SER 60 far 0 97 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 1897 from cnoeabs.peaks (4.01, 4.01, 60.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 60 + HA SER 60 OK 100 100 - 100 Peak 1898 from cnoeabs.peaks (3.91, 4.01, 60.84 ppm; 3.85 A): 2 out of 8 assignments used, quality = 1.00: HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 111 - HA SER 60 lone 0 76 35 1 2.1-19.2 HB2 SER 107 - HA SER 60 far 0 93 0 - 5.6-14.1 HA2 GLY 114 - HA SER 60 far 0 68 0 - 6.8-16.8 HD3 PRO 113 - HA SER 60 far 0 60 0 - 6.8-16.1 HA2 GLY 14 - HA SER 60 far 0 97 0 - 8.0-37.8 HA3 GLY 14 - HA SER 60 far 0 97 0 - 8.3-36.8 Violated in 0 structures by 0.00 A. Peak 1899 from cnoeabs.peaks (3.91, 4.01, 60.84 ppm; 3.85 A): 2 out of 8 assignments used, quality = 1.00: * HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 111 - HA SER 60 lone 0 76 35 1 2.1-19.2 HB2 SER 107 - HA SER 60 far 0 93 0 - 5.6-14.1 HA2 GLY 114 - HA SER 60 far 0 68 0 - 6.8-16.8 HD3 PRO 113 - HA SER 60 far 0 60 0 - 6.8-16.1 HA2 GLY 14 - HA SER 60 far 0 97 0 - 8.0-37.8 HA3 GLY 14 - HA SER 60 far 0 97 0 - 8.3-36.8 Violated in 0 structures by 0.00 A. Peak 1900 from cnoeabs.peaks (7.42, 4.01, 60.84 ppm; 4.61 A): 3 out of 3 assignments used, quality = 1.00: * H GLN 61 + HA SER 60 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 62 + HA SER 60 OK 83 95 100 88 4.5-5.0 4.2/1901=47, 6746/2.8=36...(11) HE22 GLN 104 + HA SER 60 OK 20 99 35 58 4.9-8.5 10078/10978=48...(5) Violated in 0 structures by 0.00 A. Peak 1901 from cnoeabs.peaks (8.20, 4.01, 60.84 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 63 + HA SER 60 OK 100 100 100 100 3.7-4.6 6801=88, 6812/2020=76...(11) Violated in 0 structures by 0.00 A. Peak 1902 from cnoeabs.peaks (2.02, 4.01, 60.84 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 63 + HA SER 60 OK 100 100 100 100 3.1-4.0 2020=100, 2.1/10978=72...(13) HB3 GLU 30 - HA SER 60 far 5 100 5 - 4.7-23.4 HG2 PRO 58 - HA SER 60 far 5 100 5 - 5.3-7.0 QE MET 11 - HA SER 60 far 0 85 0 - 8.0-38.0 Violated in 1 structures by 0.00 A. Peak 1903 from cnoeabs.peaks (8.66, 3.91, 61.50 ppm; 4.97 A): 2 out of 4 assignments used, quality = 1.00: * H SER 60 + HB2 SER 60 OK 100 100 100 100 2.1-3.6 4.0=100 H SER 60 + HB3 SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 H HIS 67 - HB3 SER 60 far 0 97 0 - 9.9-11.2 H HIS 67 - HB2 SER 60 far 0 97 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 1904 from cnoeabs.peaks (4.01, 3.91, 61.50 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.2-3.0 3.0=100 * HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 20 - HB3 SER 60 far 0 85 0 - 7.5-31.6 HA VAL 20 - HB2 SER 60 far 0 85 0 - 7.7-32.3 HA LEU 119 - HB3 SER 60 far 0 90 0 - 10.0-16.8 Violated in 0 structures by 0.00 A. Peak 1905 from cnoeabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 * HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 1906 from cnoeabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB3 SER 60 - HB2 SER 60 Peak 1907 from cnoeabs.peaks (7.42, 3.91, 61.50 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * H GLN 61 + HB2 SER 60 OK 100 100 100 100 2.2-4.0 4.6=100 H GLN 61 + HB3 SER 60 OK 100 100 100 100 2.3-4.0 4.6=100 H LEU 62 + HB3 SER 60 OK 74 95 100 78 4.7-6.1 6746/4.0=46, 1900/3.0=40...(8) H LEU 62 + HB2 SER 60 OK 74 95 100 78 4.6-6.1 6746/4.0=46, 1900/3.0=40...(8) HE22 GLN 104 - HB3 SER 60 poor 14 99 40 35 6.2-10.6 10077/10977=26, 1900/3.0=10 HE22 GLN 104 - HB2 SER 60 poor 9 99 25 35 6.4-11.4 10077/10977=26, 1900/3.0=10 Violated in 0 structures by 0.00 A. Peak 1908 from cnoeabs.peaks (8.66, 3.91, 61.50 ppm; 4.97 A): 2 out of 4 assignments used, quality = 1.00: H SER 60 + HB2 SER 60 OK 100 100 100 100 2.1-3.6 4.0=100 * H SER 60 + HB3 SER 60 OK 100 100 100 100 2.2-3.6 4.0=100 H HIS 67 - HB3 SER 60 far 0 97 0 - 9.9-11.2 H HIS 67 - HB2 SER 60 far 0 97 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 1909 from cnoeabs.peaks (4.01, 3.91, 61.50 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 20 - HB3 SER 60 far 0 85 0 - 7.5-31.6 HA VAL 20 - HB2 SER 60 far 0 85 0 - 7.7-32.3 HA LEU 119 - HB3 SER 60 far 0 90 0 - 10.0-16.8 Violated in 0 structures by 0.00 A. Peak 1910 from cnoeabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB2 SER 60 - HB3 SER 60 Peak 1911 from cnoeabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 1912 from cnoeabs.peaks (7.42, 3.91, 61.50 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: H GLN 61 + HB2 SER 60 OK 100 100 100 100 2.2-4.0 4.6=100 * H GLN 61 + HB3 SER 60 OK 100 100 100 100 2.3-4.0 4.6=100 H LEU 62 + HB3 SER 60 OK 74 95 100 78 4.7-6.1 6746/4.0=46, 1900/3.0=40...(8) H LEU 62 + HB2 SER 60 OK 74 95 100 78 4.6-6.1 6746/4.0=46, 1900/3.0=40...(8) HE22 GLN 104 - HB3 SER 60 poor 14 99 40 35 6.2-10.6 10077/10977=26, 1900/3.0=10 HE22 GLN 104 - HB2 SER 60 poor 9 99 25 35 6.4-11.4 10077/10977=26, 1900/3.0=10 Violated in 0 structures by 0.00 A. Peak 1913 from cnoeabs.peaks (7.42, 4.28, 57.87 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 61 + HA GLN 61 OK 100 100 100 100 2.8-2.9 2.8=100 H LEU 62 + HA GLN 61 OK 95 95 100 100 3.5-3.6 3.6=100 HE22 GLN 104 - HA GLN 61 far 0 99 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 1914 from cnoeabs.peaks (4.28, 4.28, 57.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 61 + HA GLN 61 OK 100 100 - 100 Peak 1915 from cnoeabs.peaks (2.10, 4.28, 57.87 ppm; 3.73 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 PRO 58 + HA GLN 61 OK 46 68 90 75 4.4-7.1 ~10981=24, ~6758=13...(18) HB VAL 57 - HA GLN 61 far 0 99 0 - 5.8-6.9 HB VAL 112 - HA GLN 61 far 0 83 0 - 9.0-21.1 Violated in 0 structures by 0.00 A. Peak 1916 from cnoeabs.peaks (2.10, 4.28, 57.87 ppm; 3.73 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 PRO 58 + HA GLN 61 OK 40 60 90 74 4.4-7.1 ~10981=24, ~6758=13...(18) HB VAL 57 - HA GLN 61 far 0 97 0 - 5.8-6.9 HB VAL 112 - HA GLN 61 far 0 89 0 - 9.0-21.1 Violated in 0 structures by 0.00 A. Peak 1917 from cnoeabs.peaks (2.28, 4.28, 57.87 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 100 100 3.0-4.2 3.8=100 HG2 GLU 30 - HA GLN 61 far 5 99 5 - 5.3-21.8 HB3 PRO 113 - HA GLN 61 far 0 99 0 - 9.6-16.5 Violated in 3 structures by 0.04 A. Peak 1918 from cnoeabs.peaks (2.41, 4.28, 57.87 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.9-3.8 3.8=100 HB3 PRO 58 - HA GLN 61 far 0 100 0 - 6.1-8.4 Violated in 0 structures by 0.00 A. Peak 1921 from cnoeabs.peaks (7.43, 4.28, 57.87 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 62 + HA GLN 61 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 61 + HA GLN 61 OK 95 95 100 100 2.8-2.9 2.8=100 HE22 GLN 104 - HA GLN 61 far 0 99 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 1922 from cnoeabs.peaks (7.96, 4.28, 57.87 ppm; 6.04 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 64 + HA GLN 61 OK 100 100 100 100 3.5-4.0 3.9/2053=93...(9) H VAL 112 - HA GLN 61 far 0 73 0 - 7.7-19.4 H THR 18 - HA GLN 61 far 0 93 0 - 9.2-34.3 Violated in 0 structures by 0.00 A. Peak 1923 from cnoeabs.peaks (2.75, 4.28, 57.87 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 64 + HA GLN 61 OK 100 100 100 100 2.2-3.5 2047=100, 1.8/2053=95...(6) HB3 ASN 13 - HA GLN 61 far 0 83 0 - 7.8-35.0 Violated in 0 structures by 0.00 A. Peak 1924 from cnoeabs.peaks (2.80, 4.28, 57.87 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 64 + HA GLN 61 OK 100 100 100 100 2.7-4.5 2053=100, 1.8/2047=79...(7) HB2 ASN 13 - HA GLN 61 far 0 96 0 - 8.7-33.9 Violated in 2 structures by 0.02 A. Peak 1925 from cnoeabs.peaks (7.42, 2.10, 28.56 ppm; 5.06 A): 4 out of 8 assignments used, quality = 1.00: * H GLN 61 + HB2 GLN 61 OK 100 100 100 100 3.0-3.6 4.0=100 H GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.1-3.6 4.0=100 H LEU 62 + HB2 GLN 61 OK 95 95 100 100 2.8-4.1 4.6=100 H LEU 62 + HB3 GLN 61 OK 94 94 100 100 2.8-4.1 4.6=100 HE22 GLN 104 - HB2 GLU 102 far 4 71 5 - 5.5-11.0 QE PHE 89 - HB2 GLU 128 far 0 45 0 - 7.9-9.7 QE PHE 89 - HB3 GLN 82 far 0 66 0 - 9.1-11.7 HE22 GLN 104 - HB3 GLN 61 far 0 98 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 1926 from cnoeabs.peaks (4.28, 2.10, 28.56 ppm; 4.30 A): 2 out of 37 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 108 - HB2 GLU 102 poor 14 72 20 - 4.6-15.8 HA ALA 12 - HB2 GLN 61 far 5 100 5 - 4.4-38.1 HA ALA 12 - HB3 GLN 61 far 5 99 5 - 3.6-39.0 HA ALA 21 - HB2 GLN 61 far 5 98 5 - 4.3-28.5 HA THR 25 - HB2 GLN 61 far 5 97 5 - 5.7-26.3 HA ALA 21 - HB3 GLN 61 far 5 97 5 - 5.5-29.4 HA THR 25 - HB3 GLN 61 far 5 97 5 - 5.7-26.2 HA THR 18 - HB3 GLN 61 far 5 96 5 - 5.0-33.4 HA THR 18 - HB2 GLN 61 far 0 97 0 - 5.9-32.6 HA ALA 21 - HB2 GLU 102 far 0 69 0 - 6.0-41.5 HA LYS 26 - HB3 GLN 61 far 0 95 0 - 6.1-26.8 HA LYS 19 - HB3 GLN 61 far 0 92 0 - 6.6-32.2 HA LYS 26 - HB2 GLN 61 far 0 96 0 - 6.6-26.9 HA LEU 22 - HB2 GLN 61 far 0 95 0 - 6.8-26.8 HA ALA 110 - HB3 GLN 61 far 0 100 0 - 7.0-23.1 HA LYS 31 - HB2 GLN 61 far 0 100 0 - 7.0-25.8 HA LYS 19 - HB2 GLN 61 far 0 93 0 - 7.0-30.9 HA LYS 31 - HB3 GLN 61 far 0 99 0 - 7.0-26.5 HA ALA 109 - HB3 GLN 61 far 0 99 0 - 7.0-21.7 HA ASP 131 - HB2 GLU 128 far 0 34 0 - 7.1-8.0 HA ALA 108 - HB3 GLN 61 far 0 99 0 - 7.3-21.3 HA LEU 22 - HB3 GLN 61 far 0 94 0 - 7.5-28.1 HA ALA 109 - HB2 GLU 102 far 0 72 0 - 7.9-15.8 HA ARG 23 - HB3 GLN 61 far 0 99 0 - 8.0-25.6 HA ALA 110 - HB2 GLN 61 far 0 100 0 - 8.2-24.2 HA LYS 26 - HB2 GLU 102 far 0 66 0 - 8.2-29.9 HA ALA 109 - HB2 GLN 61 far 0 100 0 - 8.3-22.0 HA ARG 23 - HB2 GLN 61 far 0 100 0 - 8.3-26.0 HA ALA 108 - HB2 GLN 61 far 0 100 0 - 8.5-21.4 HA ARG 23 - HB2 GLU 102 far 0 72 0 - 8.5-35.7 HA ALA 15 - HB2 GLU 102 far 0 72 0 - 8.6-48.6 HA PHE 87 - HB3 GLN 82 far 0 74 0 - 9.2-11.2 HA ALA 110 - HB2 GLU 102 far 0 73 0 - 9.4-19.8 HA LEU 22 - HB2 GLU 102 far 0 65 0 - 9.4-38.9 HA ALA 16 - HB3 GLN 61 far 0 99 0 - 9.6-34.8 Violated in 0 structures by 0.00 A. Peak 1927 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 85 85 - 100 HB2 GLU 102 + HB2 GLU 102 OK 60 60 - 100 HB2 GLU 128 + HB2 GLU 128 OK 50 50 - 100 Peak 1928 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 83 83 - 100 HB2 GLU 102 + HB2 GLU 102 OK 55 55 - 100 HB2 GLU 128 + HB2 GLU 128 OK 45 45 - 100 Reference assignment not found: HB3 GLN 61 - HB2 GLN 61 Peak 1929 from cnoeabs.peaks (2.28, 2.10, 28.56 ppm; 3.86 A): 2 out of 13 assignments used, quality = 1.00: * HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 105 - HB2 GLU 102 poor 18 60 30 - 4.5-9.8 HB2 PRO 81 - HB3 GLN 82 far 5 53 10 - 3.5-6.9 HG2 GLU 30 - HB3 GLN 61 far 0 99 0 - 5.5-24.0 HB3 GLN 101 - HB2 GLU 102 far 0 55 0 - 5.5-7.1 HG2 GLU 30 - HB2 GLN 61 far 0 99 0 - 5.6-23.4 HB VAL 132 - HB2 GLU 128 far 0 63 0 - 6.2-8.5 HB VAL 132 - HB3 GLN 82 far 0 87 0 - 7.0-10.8 HB3 PRO 113 - HB3 GLN 61 far 0 98 0 - 8.1-15.0 HG2 GLU 97 - HB2 GLU 102 far 0 68 0 - 8.2-11.4 HB3 PRO 113 - HB2 GLU 102 far 0 71 0 - 9.0-19.6 HB3 PRO 113 - HB2 GLN 61 far 0 99 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 1930 from cnoeabs.peaks (2.41, 2.10, 28.56 ppm; 4.00 A): 6 out of 10 assignments used, quality = 1.00: * HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 128 + HB2 GLU 128 OK 60 60 100 100 2.2-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 51 51 100 100 2.2-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 102 OK 32 68 55 86 3.1-6.2 7450/3.8=43, 4101/1.8=16...(17) HB3 PRO 58 + HB3 GLN 61 OK 29 100 30 96 4.3-8.5 ~10935=23, ~10934=22...(31) HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 5.7-8.2 HG3 GLU 97 - HB2 GLU 102 far 0 71 0 - 8.3-11.0 HG3 GLU 55 - HB3 GLN 61 far 0 88 0 - 8.7-13.3 HG3 GLU 55 - HB2 GLN 61 far 0 89 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 1932 from cnoeabs.peaks (7.56, 2.10, 28.56 ppm; 5.13 A): 3 out of 8 assignments used, quality = 1.00: * HE22 GLN 61 + HB2 GLN 61 OK 100 100 100 100 1.9-4.6 4.4=100 HE22 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.2-5.4 4.4=100 H GLN 82 + HB3 GLN 82 OK 86 86 100 100 2.1-3.9 4.0=100 HE22 GLN 27 - HB2 GLU 102 far 2 45 5 - 6.2-30.8 HE22 GLN 27 - HB3 GLN 61 far 0 70 0 - 7.4-26.4 HE22 GLN 27 - HB2 GLN 61 far 0 71 0 - 7.9-25.8 H LEU 119 - HB2 GLU 102 far 0 59 0 - 9.0-12.4 H THR 54 - HB2 GLN 61 far 0 97 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 1933 from cnoeabs.peaks (7.43, 2.10, 28.56 ppm; 5.06 A): 4 out of 6 assignments used, quality = 1.00: * H LEU 62 + HB2 GLN 61 OK 100 100 100 100 2.8-4.1 4.6=100 H LEU 62 + HB3 GLN 61 OK 100 100 100 100 2.8-4.1 4.6=100 H GLN 61 + HB2 GLN 61 OK 95 95 100 100 3.0-3.6 4.0=100 H GLN 61 + HB3 GLN 61 OK 94 94 100 100 2.1-3.6 4.0=100 HE22 GLN 104 - HB2 GLU 102 far 4 71 5 - 5.5-11.0 HE22 GLN 104 - HB3 GLN 61 far 0 99 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 1934 from cnoeabs.peaks (7.42, 2.10, 28.56 ppm; 4.95 A): 4 out of 7 assignments used, quality = 1.00: * H GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.1-3.6 4.0=100 H GLN 61 + HB2 GLN 61 OK 100 100 100 100 3.0-3.6 4.0=100 H LEU 62 + HB3 GLN 61 OK 95 95 100 100 2.8-4.1 4.6=100 H LEU 62 + HB2 GLN 61 OK 94 94 100 100 2.8-4.1 4.6=100 HE22 GLN 104 - HB2 GLU 102 far 3 59 5 - 5.5-11.0 QE PHE 89 - HB3 GLN 82 far 0 61 0 - 9.1-11.7 HE22 GLN 104 - HB3 GLN 61 far 0 99 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 1935 from cnoeabs.peaks (4.28, 2.10, 28.56 ppm; 4.31 A): 2 out of 36 assignments used, quality = 1.00: * HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HA ALA 108 - HB2 GLU 102 poor 12 61 20 - 4.6-15.8 HA ALA 12 - HB3 GLN 61 far 5 100 5 - 3.6-39.0 HA ALA 12 - HB2 GLN 61 far 5 99 5 - 4.4-38.1 HA ALA 21 - HB3 GLN 61 far 5 98 5 - 5.5-29.4 HA ALA 21 - HB2 GLN 61 far 5 97 5 - 4.3-28.5 HA THR 25 - HB3 GLN 61 far 5 97 5 - 5.7-26.2 HA THR 18 - HB3 GLN 61 far 5 97 5 - 5.0-33.4 HA THR 25 - HB2 GLN 61 far 5 97 5 - 5.7-26.3 HA THR 18 - HB2 GLN 61 far 0 96 0 - 5.9-32.6 HA ALA 21 - HB2 GLU 102 far 0 57 0 - 6.0-41.5 HA LYS 26 - HB3 GLN 61 far 0 96 0 - 6.1-26.8 HA LYS 19 - HB3 GLN 61 far 0 93 0 - 6.6-32.2 HA LYS 26 - HB2 GLN 61 far 0 95 0 - 6.6-26.9 HA LEU 22 - HB2 GLN 61 far 0 94 0 - 6.8-26.8 HA ALA 110 - HB3 GLN 61 far 0 100 0 - 7.0-23.1 HA LYS 31 - HB2 GLN 61 far 0 99 0 - 7.0-25.8 HA LYS 19 - HB2 GLN 61 far 0 92 0 - 7.0-30.9 HA LYS 31 - HB3 GLN 61 far 0 100 0 - 7.0-26.5 HA ALA 109 - HB3 GLN 61 far 0 100 0 - 7.0-21.7 HA ALA 108 - HB3 GLN 61 far 0 100 0 - 7.3-21.3 HA LEU 22 - HB3 GLN 61 far 0 95 0 - 7.5-28.1 HA ALA 109 - HB2 GLU 102 far 0 61 0 - 7.9-15.8 HA ARG 23 - HB3 GLN 61 far 0 100 0 - 8.0-25.6 HA ALA 110 - HB2 GLN 61 far 0 100 0 - 8.2-24.2 HA LYS 26 - HB2 GLU 102 far 0 55 0 - 8.2-29.9 HA ALA 109 - HB2 GLN 61 far 0 99 0 - 8.3-22.0 HA ARG 23 - HB2 GLN 61 far 0 99 0 - 8.3-26.0 HA ALA 108 - HB2 GLN 61 far 0 99 0 - 8.5-21.4 HA ARG 23 - HB2 GLU 102 far 0 60 0 - 8.5-35.7 HA ALA 15 - HB2 GLU 102 far 0 61 0 - 8.6-48.6 HA PHE 87 - HB3 GLN 82 far 0 68 0 - 9.2-11.2 HA ALA 110 - HB2 GLU 102 far 0 61 0 - 9.4-19.8 HA LEU 22 - HB2 GLU 102 far 0 54 0 - 9.4-38.9 HA ALA 16 - HB3 GLN 61 far 0 100 0 - 9.6-34.8 Violated in 0 structures by 0.00 A. Peak 1936 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 80 80 - 100 HB2 GLU 102 + HB2 GLU 102 OK 50 50 - 100 Reference assignment not found: HB2 GLN 61 - HB3 GLN 61 Peak 1937 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 78 78 - 100 HB2 GLU 102 + HB2 GLU 102 OK 46 46 - 100 Peak 1938 from cnoeabs.peaks (2.28, 2.10, 28.56 ppm; 3.80 A): 2 out of 12 assignments used, quality = 1.00: * HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 105 - HB2 GLU 102 poor 15 50 30 - 4.5-9.8 HB2 PRO 81 - HB3 GLN 82 far 5 49 10 - 3.5-6.9 HG2 GLU 30 - HB3 GLN 61 far 0 99 0 - 5.5-24.0 HB3 GLN 101 - HB2 GLU 102 far 0 46 0 - 5.5-7.1 HG2 GLU 30 - HB2 GLN 61 far 0 99 0 - 5.6-23.4 HB VAL 132 - HB3 GLN 82 far 0 82 0 - 7.0-10.8 HB3 PRO 113 - HB3 GLN 61 far 0 99 0 - 8.1-15.0 HG2 GLU 97 - HB2 GLU 102 far 0 57 0 - 8.2-11.4 HB3 PRO 113 - HB2 GLU 102 far 0 59 0 - 9.0-19.6 HB3 PRO 113 - HB2 GLN 61 far 0 98 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 1939 from cnoeabs.peaks (2.41, 2.10, 28.56 ppm; 4.06 A): 5 out of 9 assignments used, quality = 1.00: * HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 47 47 100 100 2.2-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 102 OK 30 57 60 87 3.1-6.2 7450/3.8=45, 4101/1.8=17...(17) HB3 PRO 58 + HB3 GLN 61 OK 29 100 30 96 4.3-8.5 ~10935=24, ~10934=23...(31) HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 5.7-8.2 HG3 GLU 97 - HB2 GLU 102 far 0 59 0 - 8.3-11.0 HG3 GLU 55 - HB3 GLN 61 far 0 89 0 - 8.7-13.3 HG3 GLU 55 - HB2 GLN 61 far 0 88 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 1941 from cnoeabs.peaks (7.56, 2.10, 28.56 ppm; 5.56 A): 3 out of 8 assignments used, quality = 1.00: * HE22 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.2-5.4 4.4=100 HE22 GLN 61 + HB2 GLN 61 OK 100 100 100 100 1.9-4.6 4.4=100 H GLN 82 + HB3 GLN 82 OK 81 81 100 100 2.1-3.9 4.0=100 HE22 GLN 27 - HB2 GLU 102 far 2 36 5 - 6.2-30.8 HE22 GLN 27 - HB3 GLN 61 far 0 71 0 - 7.4-26.4 HE22 GLN 27 - HB2 GLN 61 far 0 70 0 - 7.9-25.8 H LEU 119 - HB2 GLU 102 far 0 48 0 - 9.0-12.4 H THR 54 - HB2 GLN 61 far 0 97 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 1942 from cnoeabs.peaks (7.43, 2.10, 28.56 ppm; 4.95 A): 4 out of 6 assignments used, quality = 1.00: * H LEU 62 + HB3 GLN 61 OK 100 100 100 100 2.8-4.1 4.6=100 H LEU 62 + HB2 GLN 61 OK 100 100 100 100 2.8-4.1 4.6=100 H GLN 61 + HB3 GLN 61 OK 95 95 100 100 2.1-3.6 4.0=100 H GLN 61 + HB2 GLN 61 OK 94 94 100 100 3.0-3.6 4.0=100 HE22 GLN 104 - HB2 GLU 102 far 3 60 5 - 5.5-11.0 HE22 GLN 104 - HB3 GLN 61 far 0 99 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 1943 from cnoeabs.peaks (7.42, 2.28, 33.67 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.0-4.4 4.5=100 H LEU 62 + HG2 GLN 61 OK 93 95 100 98 1.9-4.1 3.6/1944=75, 6787=61...(10) Violated in 0 structures by 0.00 A. Peak 1944 from cnoeabs.peaks (4.28, 2.28, 33.67 ppm; 3.85 A): 1 out of 15 assignments used, quality = 1.00: * HA GLN 61 + HG2 GLN 61 OK 100 100 100 100 3.0-4.2 3.8=100 HA THR 18 - HG2 GLN 61 far 5 97 5 - 5.0-34.6 HA ALA 109 - HG2 GLN 61 far 0 100 0 - 5.8-20.6 HA ALA 12 - HG2 GLN 61 far 0 100 0 - 6.3-39.1 HA ALA 21 - HG2 GLN 61 far 0 98 0 - 6.7-30.6 HA ALA 110 - HG2 GLN 61 far 0 100 0 - 7.0-23.1 HA THR 25 - HG2 GLN 61 far 0 97 0 - 7.7-24.7 HA LYS 19 - HG2 GLN 61 far 0 93 0 - 8.0-32.3 HA ALA 108 - HG2 GLN 61 far 0 100 0 - 8.4-20.3 HA ALA 16 - HG2 GLN 61 far 0 100 0 - 8.8-36.1 HA LYS 26 - HG2 GLN 61 far 0 96 0 - 8.9-25.7 HA ALA 15 - HG2 GLN 61 far 0 100 0 - 9.1-38.8 HA LYS 31 - HG2 GLN 61 far 0 100 0 - 9.2-25.1 HA ARG 23 - HG2 GLN 61 far 0 100 0 - 9.3-24.7 HA LEU 22 - HG2 GLN 61 far 0 95 0 - 9.5-27.2 Violated in 4 structures by 0.05 A. Peak 1945 from cnoeabs.peaks (2.10, 2.28, 33.67 ppm; 3.44 A): 4 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 57 + HG2 GLN 61 OK 98 99 100 99 2.4-4.8 2.1/10938=53...(24) HG3 PRO 58 + HG2 GLN 61 OK 60 68 95 93 2.2-5.3 2.3/10934=30, ~10935=25...(27) HB VAL 112 - HG2 GLN 61 far 0 83 0 - 8.6-20.3 Violated in 0 structures by 0.00 A. Peak 1946 from cnoeabs.peaks (2.10, 2.28, 33.67 ppm; 3.44 A): 4 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 57 + HG2 GLN 61 OK 96 97 100 99 2.4-4.8 2.1/10938=53...(24) HG3 PRO 58 + HG2 GLN 61 OK 53 60 95 92 2.2-5.3 2.3/10934=30, ~10935=25...(27) HB VAL 112 - HG2 GLN 61 far 0 89 0 - 8.6-20.3 Violated in 0 structures by 0.00 A. Peak 1947 from cnoeabs.peaks (2.28, 2.28, 33.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 61 + HG2 GLN 61 OK 100 100 - 100 Peak 1948 from cnoeabs.peaks (2.41, 2.28, 33.67 ppm; 2.55 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 58 - HG2 GLN 61 far 0 100 0 - 4.9-8.1 HG3 GLU 55 - HG2 GLN 61 far 0 89 0 - 7.7-11.8 Violated in 0 structures by 0.00 A. Peak 1949 from cnoeabs.peaks (6.88, 2.28, 33.67 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.5-4.1 3.5=100 HD22 ASN 13 - HG2 GLN 61 far 0 76 0 - 6.9-35.8 HE21 GLN 68 - HG2 GLN 61 far 0 78 0 - 8.1-14.5 Violated in 0 structures by 0.00 A. Peak 1950 from cnoeabs.peaks (7.56, 2.28, 33.67 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.1-3.8 3.5=100 HE22 GLN 27 - HG2 GLN 61 far 0 71 0 - 8.0-25.9 H THR 54 - HG2 GLN 61 far 0 97 0 - 8.2-11.7 H LEU 119 - HG2 GLN 61 far 0 89 0 - 9.1-17.4 Violated in 0 structures by 0.00 A. Peak 1951 from cnoeabs.peaks (7.43, 2.28, 33.67 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 62 + HG2 GLN 61 OK 99 100 100 99 1.9-4.1 3.6/1944=75, 6787=66...(10) H GLN 61 + HG2 GLN 61 OK 95 95 100 100 2.0-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 1952 from cnoeabs.peaks (7.42, 2.41, 33.67 ppm; 4.42 A): 2 out of 5 assignments used, quality = 1.00: * H GLN 61 + HG3 GLN 61 OK 100 100 100 100 1.9-3.9 4.5=94, 2.8/1953=83...(12) H LEU 62 + HG3 GLN 61 OK 92 95 100 97 1.8-4.2 3.6/1953=71, 6787/1.8=50...(16) HE22 GLN 104 - HG2 GLN 101 far 0 85 0 - 7.1-12.9 H LEU 62 - HG3 GLU 55 far 0 59 0 - 8.8-12.8 HE22 GLN 104 - HG3 GLN 61 far 0 99 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 1953 from cnoeabs.peaks (4.28, 2.41, 33.67 ppm; 3.70 A): 1 out of 28 assignments used, quality = 0.99: * HA GLN 61 + HG3 GLN 61 OK 99 100 100 99 2.9-3.8 3.8=91, 1944/1.8=78...(5) HA ALA 16 - HG3 GLU 55 far 3 66 5 - 4.3-40.8 HA ALA 110 - HG3 GLN 61 far 0 100 0 - 5.5-21.9 HA ALA 12 - HG3 GLN 61 far 0 100 0 - 5.8-40.1 HA ALA 21 - HG3 GLN 61 far 0 98 0 - 5.8-31.5 HA THR 18 - HG3 GLN 61 far 0 97 0 - 6.1-35.5 HA ARG 23 - HG3 GLU 55 far 0 66 0 - 6.3-31.0 HA ALA 109 - HG3 GLN 61 far 0 100 0 - 6.4-19.6 HA LYS 26 - HG2 GLN 101 far 0 79 0 - 7.6-26.8 HA THR 25 - HG3 GLN 61 far 0 97 0 - 7.7-24.6 HA THR 25 - HG3 GLU 55 far 0 62 0 - 7.8-29.9 HA ALA 108 - HG2 GLN 101 far 0 86 0 - 7.8-17.3 HA LYS 26 - HG3 GLN 61 far 0 96 0 - 8.0-25.6 HA ALA 108 - HG3 GLN 61 far 0 100 0 - 8.0-19.4 HA ALA 15 - HG3 GLU 55 far 0 67 0 - 8.4-41.0 HA LYS 19 - HG3 GLN 61 far 0 93 0 - 8.5-33.1 HA ARG 23 - HG2 GLN 101 far 0 86 0 - 8.6-32.1 HA THR 25 - HG2 GLN 101 far 0 82 0 - 8.6-27.9 HA ALA 21 - HG3 GLU 55 far 0 63 0 - 8.7-35.6 HA LEU 22 - HG3 GLN 61 far 0 95 0 - 9.1-27.8 HA LYS 31 - HG3 GLN 61 far 0 100 0 - 9.2-25.7 HA THR 18 - HG3 GLU 55 far 0 61 0 - 9.2-37.9 HA ALA 16 - HG3 GLN 61 far 0 100 0 - 9.4-37.0 HA LYS 19 - HG3 GLU 55 far 0 58 0 - 9.5-38.4 HA ALA 15 - HG3 GLN 61 far 0 100 0 - 9.5-39.8 HA ALA 21 - HG2 GLN 101 far 0 83 0 - 9.6-37.5 HA SER 74 - HG2 GLN 101 far 0 82 0 - 9.6-14.2 HA LEU 22 - HG3 GLU 55 far 0 59 0 - 9.6-35.8 Violated in 9 structures by 0.02 A. Peak 1954 from cnoeabs.peaks (2.10, 2.41, 33.67 ppm; 3.29 A): 5 out of 11 assignments used, quality = 1.00: * HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 57 + HG3 GLN 61 OK 93 99 95 99 2.5-5.1 2.1/10936=50...(24) HG3 PRO 58 + HG3 GLN 61 OK 54 68 90 89 2.0-5.1 2.3/10935=29, ~10934=22...(24) HB2 GLU 102 + HG2 GLN 101 OK 28 73 55 70 3.1-6.2 7455/7450=28...(15) HB VAL 57 - HG3 GLU 55 far 0 64 0 - 5.4-9.0 HB VAL 112 - HG3 GLN 61 far 0 83 0 - 7.7-18.7 HB3 GLN 61 - HG3 GLU 55 far 0 67 0 - 8.7-13.3 HG3 PRO 58 - HG3 GLU 55 far 0 39 0 - 8.8-12.7 HB2 GLN 61 - HG3 GLU 55 far 0 67 0 - 8.9-12.7 HB VAL 126 - HG2 GLN 101 far 0 85 0 - 9.7-14.8 Violated in 0 structures by 0.00 A. Peak 1955 from cnoeabs.peaks (2.10, 2.41, 33.67 ppm; 3.29 A): 5 out of 11 assignments used, quality = 1.00: * HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 57 + HG3 GLN 61 OK 91 97 95 99 2.5-5.1 2.1/10936=50...(24) HG3 PRO 58 + HG3 GLN 61 OK 48 60 90 88 2.0-5.1 2.3/10935=29, ~10934=22...(23) HB2 GLU 102 + HG2 GLN 101 OK 26 68 55 70 3.1-6.2 3.8/7450=28, 1.8/4101=11...(15) HB VAL 57 - HG3 GLU 55 far 0 61 0 - 5.4-9.0 HB VAL 112 - HG3 GLN 61 far 0 89 0 - 7.7-18.7 HB3 GLN 61 - HG3 GLU 55 far 0 67 0 - 8.7-13.3 HG3 PRO 58 - HG3 GLU 55 far 0 33 0 - 8.8-12.7 HB2 GLN 61 - HG3 GLU 55 far 0 67 0 - 8.9-12.7 HB VAL 126 - HG2 GLN 101 far 0 86 0 - 9.7-14.8 Violated in 0 structures by 0.00 A. Peak 1956 from cnoeabs.peaks (2.28, 2.41, 33.67 ppm; 2.50 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 101 + HG2 GLN 101 OK 61 68 100 90 2.2-3.0 2.9=62, 3.0/3277=25...(15) HG2 GLU 97 - HG2 GLN 101 far 12 82 15 - 2.9-7.4 HB VAL 105 - HG2 GLN 101 far 0 73 0 - 6.1-10.6 HB3 PRO 113 - HG3 GLU 55 far 0 65 0 - 7.2-18.7 HG2 GLN 61 - HG3 GLU 55 far 0 67 0 - 7.7-11.8 HG2 GLU 30 - HG3 GLN 61 far 0 99 0 - 7.9-22.7 HB3 PRO 113 - HG3 GLN 61 far 0 99 0 - 8.1-14.9 HG2 GLU 30 - HG2 GLN 101 far 0 85 0 - 9.2-26.1 Violated in 0 structures by 0.00 A. Peak 1957 from cnoeabs.peaks (2.41, 2.41, 33.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 61 + HG3 GLN 61 OK 100 100 - 100 HG2 GLN 101 + HG2 GLN 101 OK 82 82 - 100 HG3 GLU 55 + HG3 GLU 55 OK 54 54 - 100 Peak 1958 from cnoeabs.peaks (6.88, 2.41, 33.67 ppm; 4.39 A): 1 out of 6 assignments used, quality = 1.00: * HE21 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.2-4.1 3.5=100 HE21 GLN 61 - HG3 GLU 55 far 7 67 10 - 5.0-10.1 HD21 ASN 121 - HG2 GLN 101 far 0 87 0 - 6.6-13.6 HD22 ASN 13 - HG3 GLN 61 far 0 76 0 - 7.4-35.3 HE21 GLN 68 - HG3 GLN 61 far 0 78 0 - 8.6-13.9 HD22 ASN 13 - HG3 GLU 55 far 0 44 0 - 8.9-43.8 Violated in 0 structures by 0.00 A. Peak 1959 from cnoeabs.peaks (7.56, 2.41, 33.67 ppm; 3.79 A): 2 out of 8 assignments used, quality = 1.00: * HE22 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.1-3.6 3.5=100 H THR 54 + HG3 GLU 55 OK 41 62 75 89 3.4-6.7 6687/6695=43...(8) HE22 GLN 27 - HG2 GLN 101 far 3 55 5 - 3.8-29.6 HE22 GLN 61 - HG3 GLU 55 far 0 67 0 - 5.4-11.0 HE22 GLN 27 - HG3 GLN 61 far 0 71 0 - 7.3-26.7 H THR 54 - HG3 GLN 61 far 0 97 0 - 8.5-13.2 HE22 GLN 27 - HG3 GLU 55 far 0 40 0 - 8.5-34.0 H LEU 119 - HG3 GLN 61 far 0 89 0 - 8.8-16.6 Violated in 0 structures by 0.00 A. Peak 1960 from cnoeabs.peaks (7.43, 2.41, 33.67 ppm; 4.37 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 62 + HG3 GLN 61 OK 98 100 100 98 1.8-4.2 3.6/1953=70, 6787/1.8=52...(16) H GLN 61 + HG3 GLN 61 OK 94 95 100 100 1.9-3.9 4.5=90, 2.8/1953=82...(13) HE22 GLN 104 - HG2 GLN 101 far 0 85 0 - 7.1-12.9 H LEU 62 - HG3 GLU 55 far 0 67 0 - 8.8-12.8 HE22 GLN 104 - HG3 GLN 61 far 0 99 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (7.43, 3.85, 57.95 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 62 + HA LEU 62 OK 100 100 100 100 2.8-2.8 2.9=100 H GLN 61 + HA LEU 62 OK 82 95 100 87 5.0-5.3 10983/3.7=28...(15) HE22 GLN 104 - HA LEU 62 far 0 99 0 - 8.1-12.1 Violated in 0 structures by 0.00 A. Peak 1962 from cnoeabs.peaks (3.85, 3.85, 57.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + HA LEU 62 OK 100 100 - 100 Peak 1963 from cnoeabs.peaks (2.06, 3.85, 57.95 ppm; 4.19 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 PRO 58 - HA LEU 62 far 0 92 0 - 5.8-8.6 HB VAL 118 - HA LEU 62 far 0 100 0 - 7.3-15.8 HB3 GLN 27 - HA LEU 62 far 0 100 0 - 7.8-22.4 HB3 GLU 55 - HA LEU 62 far 0 92 0 - 7.9-11.3 HG3 PRO 113 - HA LEU 62 far 0 100 0 - 8.4-16.7 Violated in 0 structures by 0.00 A. Peak 1964 from cnoeabs.peaks (1.14, 3.85, 57.95 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 100 100 2.8-3.0 3.0=100 HG12 ILE 32 - HA LEU 62 far 0 87 0 - 7.2-18.3 QG2 THR 18 - HA LEU 62 far 0 65 0 - 7.4-29.7 QG2 THR 115 - HA LEU 62 far 0 97 0 - 8.7-14.3 Violated in 0 structures by 0.00 A. Peak 1965 from cnoeabs.peaks (1.65, 3.85, 57.95 ppm; 4.28 A): 1 out of 12 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 100 100 2.4-4.0 3.7=100 HB2 LEU 123 - HA LEU 62 far 10 100 10 - 4.8-9.7 HG LEU 119 - HA LEU 62 far 3 68 5 - 5.4-13.0 HB2 LEU 69 - HA LEU 62 far 0 81 0 - 7.9-10.5 HD2 LYS 31 - HA LEU 62 far 0 95 0 - 8.2-24.2 HD3 LYS 31 - HA LEU 62 far 0 96 0 - 8.4-23.4 HD3 LYS 24 - HA LEU 62 far 0 96 0 - 8.5-26.7 HD2 LYS 26 - HA LEU 62 far 0 96 0 - 8.6-24.7 HD3 LYS 26 - HA LEU 62 far 0 97 0 - 9.0-24.2 HD2 LYS 24 - HA LEU 62 far 0 95 0 - 9.3-27.5 HG3 ARG 23 - HA LEU 62 far 0 78 0 - 9.4-28.4 HD2 LYS 36 - HA LEU 62 far 0 78 0 - 9.5-19.7 Violated in 0 structures by 0.00 A. Peak 1966 from cnoeabs.peaks (0.68, 3.85, 57.95 ppm; 3.54 A): 1 out of 2 assignments used, quality = 0.99: * QD2 LEU 62 + HA LEU 62 OK 99 100 100 99 1.9-2.9 3.9=74, 6795/2.9=48...(23) QD2 LEU 100 - HA LEU 62 poor 19 100 25 77 4.5-9.2 1986/3.0=17, 2010/4.1=16...(14) Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (0.91, 3.85, 57.95 ppm; 3.63 A): 2 out of 14 assignments used, quality = 1.00: * QD1 LEU 62 + HA LEU 62 OK 99 100 100 99 3.4-3.8 4.1=69, 2.1/1966=59...(21) QG2 VAL 63 + HA LEU 62 OK 57 100 60 96 4.9-5.5 11012/3.0=50...(21) QD1 LEU 123 - HA LEU 62 poor 19 93 30 67 3.9-10.3 10347/3.9=36...(12) QD2 LEU 123 - HA LEU 62 poor 15 60 45 56 3.1-7.9 10348/3.9=12...(17) QD2 LEU 48 - HA LEU 62 far 15 100 15 - 3.5-10.1 QD1 LEU 48 - HA LEU 62 far 10 97 10 - 4.1-11.4 QD1 LEU 49 - HA LEU 62 far 5 100 5 - 4.8-7.3 QG2 VAL 20 - HA LEU 62 far 4 78 5 - 5.0-25.3 QG1 VAL 118 - HA LEU 62 far 0 93 0 - 5.3-12.1 QD1 LEU 119 - HA LEU 62 far 0 63 0 - 5.5-10.8 QG1 VAL 20 - HA LEU 62 far 0 99 0 - 5.8-27.7 QG2 ILE 37 - HA LEU 62 far 0 78 0 - 7.8-17.6 QG2 VAL 112 - HA LEU 62 far 0 97 0 - 8.5-15.8 QD1 LEU 22 - HA LEU 62 far 0 85 0 - 8.8-24.2 Violated in 10 structures by 0.03 A. Peak 1968 from cnoeabs.peaks (8.20, 3.85, 57.95 ppm; 4.99 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 63 + HA LEU 62 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 122 - HA LEU 62 far 0 87 0 - 7.8-12.5 H GLN 127 - HA LEU 62 far 0 100 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 1969 from cnoeabs.peaks (8.38, 3.85, 57.95 ppm; 5.84 A): 1 out of 3 assignments used, quality = 1.00: * H THR 65 + HA LEU 62 OK 100 100 100 100 3.5-4.1 6835/3.6=87...(15) H GLN 27 - HA LEU 62 far 0 99 0 - 8.3-20.3 H LYS 26 - HA LEU 62 far 0 97 0 - 9.1-21.4 Violated in 0 structures by 0.00 A. Peak 1970 from cnoeabs.peaks (4.07, 3.85, 57.95 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.99: * HB THR 65 + HA LEU 62 OK 99 100 100 99 2.6-4.7 2067=74, 2.1/10993=66...(14) HA GLN 104 - HA LEU 62 far 0 76 0 - 8.1-12.9 HA LEU 122 - HA LEU 62 far 0 90 0 - 8.7-12.3 Violated in 2 structures by 0.01 A. Peak 1971 from cnoeabs.peaks (4.33, 2.06, 42.10 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB2 LEU 62 OK 100 100 100 100 2.5-4.1 1880=100, 9388/3.2=100...(27) Violated in 0 structures by 0.00 A. Peak 1972 from cnoeabs.peaks (7.43, 2.06, 42.10 ppm; 4.85 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.1-3.2 3.9=100 H GLN 61 + HB2 LEU 62 OK 89 95 100 94 4.4-5.4 10983/3.0=39...(12) HE22 GLN 104 - HB2 LEU 62 far 0 99 0 - 7.4-12.0 Violated in 0 structures by 0.00 A. Peak 1973 from cnoeabs.peaks (3.85, 2.06, 42.10 ppm; 5.01 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.2-2.9 3.0=100 HD3 PRO 58 - HB2 LEU 62 poor 19 68 40 70 5.8-8.4 1.8/1820=20, ~1983=19...(10) HA LEU 123 - HB2 LEU 62 far 5 100 5 - 6.4-11.5 HD2 PRO 117 - HB2 LEU 62 far 0 93 0 - 9.4-18.0 Violated in 0 structures by 0.00 A. Peak 1974 from cnoeabs.peaks (2.06, 2.06, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + HB2 LEU 62 OK 100 100 - 100 Peak 1975 from cnoeabs.peaks (1.14, 2.06, 42.10 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + HB2 LEU 62 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 115 - HB2 LEU 62 far 0 97 0 - 6.7-12.7 QG2 THR 18 - HB2 LEU 62 far 0 65 0 - 7.5-31.6 HG12 ILE 32 - HB2 LEU 62 far 0 87 0 - 9.1-19.6 Violated in 0 structures by 0.00 A. Peak 1976 from cnoeabs.peaks (1.65, 2.06, 42.10 ppm; 4.81 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 119 + HB2 LEU 62 OK 54 68 80 100 3.5-11.3 2.9/10951=44...(35) HB2 LEU 123 - HB2 LEU 62 poor 20 100 20 - 4.5-10.5 HD2 LYS 19 - HB2 LEU 62 far 0 100 0 - 9.5-37.1 HB2 LEU 69 - HB2 LEU 62 far 0 81 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 1977 from cnoeabs.peaks (0.68, 2.06, 42.10 ppm; 4.65 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.4-3.2 3.1=100 QD2 LEU 100 + HB2 LEU 62 OK 47 100 50 94 4.3-9.7 1986/1.8=35, 2010/3.2=32...(17) Violated in 0 structures by 0.00 A. Peak 1978 from cnoeabs.peaks (0.91, 2.06, 42.10 ppm; 4.01 A): 5 out of 14 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 VAL 63 + HB2 LEU 62 OK 99 100 100 100 3.2-5.5 11012/1.8=77...(30) QD1 LEU 119 + HB2 LEU 62 OK 40 63 65 99 3.9-9.6 2.1/9395=30...(41) QD2 LEU 123 + HB2 LEU 62 OK 28 60 50 93 4.1-9.1 ~10347=34, ~10347=22...(44) QD1 LEU 123 + HB2 LEU 62 OK 23 93 25 96 3.7-11.3 10347/3.1=53, ~10348=22...(42) QD2 LEU 48 - HB2 LEU 62 far 5 100 5 - 5.3-11.5 QG1 VAL 118 - HB2 LEU 62 far 5 93 5 - 5.0-11.4 QD1 LEU 49 - HB2 LEU 62 far 0 100 0 - 5.6-8.9 QD1 LEU 48 - HB2 LEU 62 far 0 97 0 - 6.4-12.4 QG2 VAL 20 - HB2 LEU 62 far 0 78 0 - 6.8-27.2 QG2 VAL 112 - HB2 LEU 62 far 0 97 0 - 6.9-13.9 QG1 VAL 20 - HB2 LEU 62 far 0 99 0 - 7.7-29.5 QD1 LEU 22 - HB2 LEU 62 far 0 85 0 - 8.4-26.1 QG2 ILE 37 - HB2 LEU 62 far 0 78 0 - 9.9-19.5 Violated in 0 structures by 0.00 A. Peak 1979 from cnoeabs.peaks (8.20, 2.06, 42.10 ppm; 5.71 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 63 + HB2 LEU 62 OK 100 100 100 100 2.4-4.1 4.5=100 H LEU 122 - HB2 LEU 62 far 0 87 0 - 7.5-11.9 Violated in 0 structures by 0.00 A. Peak 1980 from cnoeabs.peaks (4.33, 1.14, 42.10 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB3 LEU 62 OK 100 100 100 100 1.8-3.1 1880/1.8=100...(27) Violated in 0 structures by 0.00 A. Peak 1982 from cnoeabs.peaks (3.85, 1.14, 42.10 ppm; 4.79 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 PRO 58 - HB3 LEU 62 far 0 68 0 - 6.6-9.0 HA LEU 123 - HB3 LEU 62 far 0 100 0 - 6.7-10.9 HD2 PRO 117 - HB3 LEU 62 far 0 93 0 - 9.5-18.2 Violated in 0 structures by 0.00 A. Peak 1983 from cnoeabs.peaks (2.06, 1.14, 42.10 ppm; 4.15 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 58 + HB3 LEU 62 OK 22 92 40 61 5.1-7.3 6792/3.9=20...(10) HB VAL 118 - HB3 LEU 62 far 5 100 5 - 5.5-14.8 HG3 PRO 113 - HB3 LEU 62 far 0 100 0 - 5.8-13.9 HB3 GLN 27 - HB3 LEU 62 far 0 100 0 - 7.8-22.5 HB3 GLU 55 - HB3 LEU 62 far 0 92 0 - 8.5-12.0 HG2 PRO 117 - HB3 LEU 62 far 0 100 0 - 9.6-18.8 QE MET 11 - HB3 LEU 62 far 0 90 0 - 9.8-38.1 HG3 PRO 117 - HB3 LEU 62 far 0 99 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 1984 from cnoeabs.peaks (1.14, 1.14, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 62 + HB3 LEU 62 OK 100 100 - 100 Peak 1985 from cnoeabs.peaks (1.65, 1.14, 42.10 ppm; 4.87 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 119 + HB3 LEU 62 OK 54 68 80 100 3.5-11.2 ~10951=33, ~9395=31...(34) HB2 LEU 123 - HB3 LEU 62 far 15 100 15 - 5.0-10.1 HD3 LYS 26 - HB3 LEU 62 far 0 97 0 - 9.4-24.0 HD2 LYS 26 - HB3 LEU 62 far 0 96 0 - 9.5-24.4 HB2 LEU 69 - HB3 LEU 62 far 0 81 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 1986 from cnoeabs.peaks (0.68, 1.14, 42.10 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.2-3.2 3.1=100 QD2 LEU 100 + HB3 LEU 62 OK 70 100 75 94 3.7-9.1 2010/3.2=30, 2000=28...(17) Violated in 0 structures by 0.00 A. Peak 1987 from cnoeabs.peaks (0.91, 1.14, 42.10 ppm; 3.90 A): 4 out of 14 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.0-2.6 3.2=100 QG2 VAL 63 + HB3 LEU 62 OK 100 100 100 100 2.7-4.2 11012=96, 2033/4.5=30...(26) QD1 LEU 119 + HB3 LEU 62 OK 37 63 60 98 4.4-9.6 ~9395=20, ~10951=20...(37) QD2 LEU 123 + HB3 LEU 62 OK 22 60 40 92 4.5-8.9 ~10347=32, ~10347=20...(41) QG1 VAL 118 - HB3 LEU 62 poor 16 93 25 67 4.7-11.6 11822/11823=19, ~2007=11...(19) QD1 LEU 123 - HB3 LEU 62 far 14 93 15 - 4.9-11.1 QD2 LEU 48 - HB3 LEU 62 far 0 100 0 - 5.8-12.6 QD1 LEU 48 - HB3 LEU 62 far 0 97 0 - 6.3-13.7 QG2 VAL 112 - HB3 LEU 62 far 0 97 0 - 6.5-13.7 QD1 LEU 49 - HB3 LEU 62 far 0 100 0 - 6.7-8.5 QG2 VAL 20 - HB3 LEU 62 far 0 78 0 - 7.4-27.4 QG1 VAL 20 - HB3 LEU 62 far 0 99 0 - 8.3-29.8 QD1 LEU 22 - HB3 LEU 62 far 0 85 0 - 9.6-26.5 QG2 ILE 37 - HB3 LEU 62 far 0 78 0 - 9.8-18.8 Violated in 0 structures by 0.00 A. Peak 1989 from cnoeabs.peaks (7.43, 1.65, 26.14 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 62 + HG LEU 62 OK 100 100 100 100 3.8-4.6 4.8=100 H GLN 61 - HG LEU 62 far 14 95 15 - 6.1-7.1 HE22 GLN 104 - HG LEU 62 far 0 99 0 - 8.2-12.0 Violated in 0 structures by 0.00 A. Peak 1990 from cnoeabs.peaks (3.85, 1.65, 26.14 ppm; 5.21 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 62 + HG LEU 62 OK 100 100 100 100 2.4-4.0 3.7=100 HA LEU 123 + HG LEU 62 OK 30 100 30 99 5.8-9.7 2.9/10956=66...(23) HD3 PRO 58 - HG LEU 62 far 0 68 0 - 7.2-9.1 HD2 PRO 117 - HG LEU 62 far 0 93 0 - 7.5-15.8 HB2 SER 50 - HG LEU 62 far 0 99 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 1991 from cnoeabs.peaks (2.06, 1.65, 26.14 ppm; 4.53 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 62 + HG LEU 62 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 118 + HG LEU 62 OK 27 100 40 67 4.3-12.4 2007/2.1=32, 2.1/1995=10...(14) HB3 GLU 55 - HG LEU 62 far 0 92 0 - 6.4-11.1 HG3 PRO 58 - HG LEU 62 far 0 92 0 - 6.6-9.2 HG3 PRO 113 - HG LEU 62 far 0 100 0 - 6.7-14.8 HG2 PRO 117 - HG LEU 62 far 0 100 0 - 7.3-16.3 HG3 PRO 117 - HG LEU 62 far 0 99 0 - 8.6-17.6 HB3 GLN 27 - HG LEU 62 far 0 100 0 - 9.6-23.9 Violated in 0 structures by 0.00 A. Peak 1992 from cnoeabs.peaks (1.14, 1.65, 26.14 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 62 + HG LEU 62 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 THR 115 - HG LEU 62 far 0 97 0 - 6.6-11.0 QG2 THR 18 - HG LEU 62 far 0 65 0 - 9.3-31.7 Violated in 0 structures by 0.00 A. Peak 1993 from cnoeabs.peaks (1.65, 1.65, 26.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 62 + HG LEU 62 OK 100 100 - 100 Peak 1994 from cnoeabs.peaks (0.68, 1.65, 26.14 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 100 + HG LEU 62 OK 38 100 45 85 4.2-9.7 2010/2.1=30, 1986/3.0=19...(16) Violated in 0 structures by 0.00 A. Peak 1995 from cnoeabs.peaks (0.91, 1.65, 26.14 ppm; 3.35 A): 6 out of 13 assignments used, quality = 1.00: * QD1 LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 63 + HG LEU 62 OK 43 100 45 95 4.0-6.3 11012/3.0=42...(24) QD2 LEU 123 + HG LEU 62 OK 33 60 60 91 3.8-7.4 ~10347=31, ~10347=20...(34) QD1 LEU 119 + HG LEU 62 OK 29 63 50 93 3.7-7.7 2.1/10992=33, ~3795=12...(35) QD1 LEU 123 + HG LEU 62 OK 26 93 30 94 3.0-9.5 10347/2.1=47...(32) QG1 VAL 118 + HG LEU 62 OK 21 93 40 55 3.4-9.6 ~2007=11, ~2007=11...(15) QD2 LEU 48 - HG LEU 62 far 5 100 5 - 4.2-12.2 QD1 LEU 48 - HG LEU 62 far 0 97 0 - 5.3-13.1 QD1 LEU 49 - HG LEU 62 far 0 100 0 - 5.5-7.8 QG2 VAL 20 - HG LEU 62 far 0 78 0 - 6.6-27.6 QG1 VAL 20 - HG LEU 62 far 0 99 0 - 6.8-29.9 QG2 VAL 112 - HG LEU 62 far 0 97 0 - 8.5-13.8 QD1 LEU 22 - HG LEU 62 far 0 85 0 - 9.2-26.5 Violated in 0 structures by 0.00 A. Peak 1997 from cnoeabs.peaks (7.43, 0.68, 23.19 ppm; 3.94 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 62 + QD2 LEU 62 OK 100 100 100 100 4.0-4.3 6795=95, 6794/2.1=77...(16) HE22 GLN 104 - QD2 LEU 100 poor 18 65 50 57 2.7-8.0 10078/10974=29...(6) H LEU 62 - QD2 LEU 100 far 0 66 0 - 5.7-10.2 H GLN 61 - QD2 LEU 62 far 0 95 0 - 6.0-6.4 HE22 GLN 104 - QD2 LEU 62 far 0 99 0 - 6.4-10.3 H GLN 61 - QD2 LEU 100 far 0 58 0 - 7.4-11.6 Violated in 20 structures by 0.16 A. Peak 1998 from cnoeabs.peaks (3.85, 0.68, 23.19 ppm; 3.22 A): 2 out of 10 assignments used, quality = 0.99: * HA LEU 62 + QD2 LEU 62 OK 98 100 100 98 1.9-2.9 1966=63, 2.9/6795=39...(21) HA LEU 123 + QD2 LEU 62 OK 49 100 55 88 3.2-6.6 4.0/10347=29...(23) HA LEU 62 - QD2 LEU 100 far 10 66 15 - 4.5-9.2 HA LEU 123 - QD2 LEU 100 far 0 66 0 - 5.6-8.4 HB2 SER 50 - QD2 LEU 62 far 0 99 0 - 6.4-9.0 HD2 PRO 117 - QD2 LEU 62 far 0 93 0 - 7.6-13.5 HD3 PRO 58 - QD2 LEU 62 far 0 68 0 - 7.6-8.8 HD2 PRO 117 - QD2 LEU 100 far 0 57 0 - 7.7-12.9 HB2 SER 50 - QD2 LEU 100 far 0 63 0 - 8.6-13.2 HB2 SER 130 - QD2 LEU 62 far 0 73 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 1999 from cnoeabs.peaks (2.06, 0.68, 23.19 ppm; 3.42 A): 2 out of 22 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.4-3.2 3.1=100 HB VAL 118 + QD2 LEU 100 OK 40 66 65 92 3.5-9.4 10259/3.2=37...(16) HB VAL 118 - QD2 LEU 62 poor 13 100 25 51 3.6-10.3 2007/2.1=21...(11) HB2 LEU 62 - QD2 LEU 100 far 3 66 5 - 4.3-9.7 HB3 GLN 27 - QD2 LEU 100 far 3 66 5 - 3.2-17.7 HB2 GLU 102 - QD2 LEU 100 far 0 40 0 - 5.6-8.0 HB3 GLU 55 - QD2 LEU 62 far 0 92 0 - 6.3-9.5 HG3 PRO 58 - QD2 LEU 62 far 0 92 0 - 6.8-8.8 HG2 PRO 117 - QD2 LEU 62 far 0 100 0 - 6.8-13.7 HG3 PRO 113 - QD2 LEU 62 far 0 100 0 - 7.1-13.3 HG2 PRO 117 - QD2 LEU 100 far 0 66 0 - 7.2-13.1 HB2 GLN 127 - QD2 LEU 62 far 0 100 0 - 7.4-10.0 HG3 PRO 113 - QD2 LEU 100 far 0 66 0 - 7.4-16.2 HG3 PRO 117 - QD2 LEU 100 far 0 65 0 - 7.7-14.4 QE MET 11 - QD2 LEU 100 far 0 54 0 - 7.8-32.3 HB3 GLN 27 - QD2 LEU 62 far 0 100 0 - 8.0-19.0 HG3 PRO 117 - QD2 LEU 62 far 0 99 0 - 8.1-14.8 HG3 PRO 58 - QD2 LEU 100 far 0 56 0 - 9.0-13.2 HB2 GLU 102 - QD2 LEU 62 far 0 71 0 - 9.2-13.4 HB3 GLU 55 - QD2 LEU 100 far 0 56 0 - 9.4-16.8 HB2 GLN 127 - QD2 LEU 100 far 0 66 0 - 9.6-12.4 QE MET 11 - QD2 LEU 62 far 0 90 0 - 9.7-30.7 Violated in 0 structures by 0.00 A. Peak 2000 from cnoeabs.peaks (1.14, 0.68, 23.19 ppm; 3.47 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.2-3.2 3.1=100 HB3 LEU 62 - QD2 LEU 100 poor 19 66 35 81 3.7-9.1 3.2/2010=21, 1986=20...(15) QG2 THR 115 - QD2 LEU 100 far 0 62 0 - 6.9-11.1 QG2 THR 115 - QD2 LEU 62 far 0 97 0 - 7.2-10.3 HG12 ILE 32 - QD2 LEU 62 far 0 87 0 - 7.6-14.4 HG12 ILE 32 - QD2 LEU 100 far 0 51 0 - 8.0-14.5 QG2 THR 18 - QD2 LEU 62 far 0 65 0 - 8.1-25.8 Violated in 0 structures by 0.00 A. Peak 2001 from cnoeabs.peaks (1.65, 0.68, 23.19 ppm; 3.16 A): 3 out of 25 assignments used, quality = 1.00: * HG LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 123 + QD2 LEU 62 OK 64 100 75 85 1.8-5.9 3.2/10347=35...(24) HG LEU 119 + QD2 LEU 62 OK 43 68 70 89 3.7-8.4 2009/2.1=20, ~10992=16...(30) HG LEU 62 - QD2 LEU 100 far 3 66 5 - 4.2-9.7 HG LEU 119 - QD2 LEU 100 far 2 38 5 - 4.4-9.1 HB2 LEU 69 - QD2 LEU 100 far 0 47 0 - 5.5-8.2 HB2 LEU 69 - QD2 LEU 62 far 0 81 0 - 5.8-8.5 HB2 LEU 123 - QD2 LEU 100 far 0 66 0 - 5.9-9.7 HB2 LEU 98 - QD2 LEU 100 far 0 66 0 - 6.7-9.2 HD3 LYS 26 - QD2 LEU 100 far 0 62 0 - 7.9-20.3 HD3 LYS 95 - QD2 LEU 100 far 0 61 0 - 8.3-12.7 HD2 LYS 31 - QD2 LEU 62 far 0 95 0 - 8.3-19.9 HD2 LYS 31 - QD2 LEU 100 far 0 58 0 - 8.4-17.7 HD3 LYS 31 - QD2 LEU 100 far 0 59 0 - 8.4-17.8 HD3 LYS 31 - QD2 LEU 62 far 0 96 0 - 8.7-19.1 HD2 LYS 26 - QD2 LEU 100 far 0 59 0 - 8.8-19.1 HD3 LYS 24 - QD2 LEU 62 far 0 96 0 - 8.8-23.2 HD2 LYS 36 - QD2 LEU 62 far 0 78 0 - 8.9-16.3 HD2 LYS 26 - QD2 LEU 62 far 0 96 0 - 9.1-18.1 HG3 ARG 23 - QD2 LEU 100 far 0 45 0 - 9.2-26.0 HD2 LYS 95 - QD2 LEU 100 far 0 65 0 - 9.5-12.6 HD3 LYS 26 - QD2 LEU 62 far 0 97 0 - 9.6-17.8 HD3 LYS 36 - QD2 LEU 100 far 0 45 0 - 9.6-15.4 HD2 LYS 24 - QD2 LEU 62 far 0 95 0 - 9.6-23.8 HG3 ARG 23 - QD2 LEU 62 far 0 78 0 - 9.6-24.9 Violated in 0 structures by 0.00 A. Peak 2002 from cnoeabs.peaks (0.68, 0.68, 23.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + QD2 LEU 62 OK 100 100 - 100 QD2 LEU 100 + QD2 LEU 100 OK 66 66 - 100 Peak 2003 from cnoeabs.peaks (0.91, 0.68, 23.19 ppm; 2.50 A): 7 out of 27 assignments used, quality = 1.00: * QD1 LEU 62 + QD2 LEU 62 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 63 + QD2 LEU 100 OK 44 66 80 83 1.8-5.3 2.1/10974=24, ~10973=16...(26) QD1 LEU 123 + QD2 LEU 62 OK 34 93 50 73 2.0-7.0 10347=23, 2.1/10348=14...(23) QD2 LEU 123 + QD2 LEU 62 OK 32 60 80 66 1.7-5.2 2.1/10347=25, 3.2/2001=9...(22) QG2 VAL 63 + QD2 LEU 62 OK 30 100 40 75 3.2-4.7 11012/3.1=21...(21) QG1 VAL 118 + QD2 LEU 100 OK 28 57 75 66 1.8-6.8 10262/3.2=21, ~11494=11...(12) QD1 LEU 62 + QD2 LEU 100 OK 24 66 60 61 2.4-7.8 2010=19, 2.1/1994=8...(17) QG1 VAL 118 - QD2 LEU 62 poor 18 93 55 35 2.0-7.7 10262/3246=6, ~2007=6...(11) QD1 LEU 49 - QD2 LEU 62 poor 13 100 25 52 3.2-5.1 3.2/10944=10...(15) QD2 LEU 48 - QD2 LEU 62 far 5 100 5 - 3.4-8.7 QD1 LEU 48 - QD2 LEU 62 far 5 97 5 - 3.6-9.8 QD2 LEU 123 - QD2 LEU 100 far 0 33 0 - 4.0-8.4 QD1 LEU 119 - QD2 LEU 62 far 0 63 0 - 4.2-6.7 QD1 LEU 119 - QD2 LEU 100 far 0 35 0 - 5.0-9.2 QD1 LEU 49 - QD2 LEU 100 far 0 66 0 - 5.1-8.6 QG2 VAL 20 - QD2 LEU 62 far 0 78 0 - 5.1-22.1 QG1 VAL 20 - QD2 LEU 62 far 0 99 0 - 5.2-24.1 QD1 LEU 123 - QD2 LEU 100 far 0 57 0 - 5.9-9.7 QD1 LEU 48 - QD2 LEU 100 far 0 62 0 - 6.3-14.2 QG2 ILE 37 - QD2 LEU 62 far 0 78 0 - 6.8-14.4 QD2 LEU 48 - QD2 LEU 100 far 0 65 0 - 6.9-12.6 QG2 VAL 112 - QD2 LEU 100 far 0 62 0 - 7.0-13.2 QG2 VAL 20 - QD2 LEU 100 far 0 45 0 - 7.3-23.1 QG2 ILE 37 - QD2 LEU 100 far 0 45 0 - 7.3-13.2 QG2 VAL 112 - QD2 LEU 62 far 0 97 0 - 7.5-12.2 QG1 VAL 20 - QD2 LEU 100 far 0 65 0 - 7.5-25.1 QD1 LEU 22 - QD2 LEU 62 far 0 85 0 - 8.9-20.6 Violated in 0 structures by 0.00 A. Peak 2004 from cnoeabs.peaks (8.20, 0.68, 23.19 ppm; 4.32 A): 4 out of 6 assignments used, quality = 1.00: * H VAL 63 + QD2 LEU 62 OK 100 100 100 100 3.3-4.1 6806/3.1=62, 6808/2.1=57...(15) H VAL 63 + QD2 LEU 100 OK 53 66 80 99 3.8-8.0 2027/10974=45, 6809=41...(19) H LEU 122 + QD2 LEU 62 OK 26 87 40 75 3.8-7.7 ~10956=29, 3.3/11483=24...(16) H LEU 122 + QD2 LEU 100 OK 20 51 45 88 4.8-7.7 3.5/3261=13...(32) H GLN 127 - QD2 LEU 62 far 0 100 0 - 6.4-9.0 H GLN 127 - QD2 LEU 100 far 0 66 0 - 7.8-10.2 Violated in 0 structures by 0.00 A. Peak 2005 from cnoeabs.peaks (7.43, 0.91, 26.02 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 62 + QD1 LEU 62 OK 100 100 100 100 3.1-4.3 6794/2.1=85, 4.6=78...(18) H GLN 61 + QD1 LEU 62 OK 35 95 40 91 4.6-6.3 3.9/6796=33...(15) HE22 GLN 104 - QD1 LEU 62 far 10 99 10 - 5.0-9.9 Violated in 2 structures by 0.00 A. Peak 2006 from cnoeabs.peaks (3.85, 0.91, 26.02 ppm; 4.36 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 62 + QD1 LEU 62 OK 100 100 100 100 3.4-3.8 4.1=100 HA LEU 123 + QD1 LEU 62 OK 32 100 35 91 4.7-7.7 ~10956=32, 1998/2.1=31...(16) HD3 PRO 58 - QD1 LEU 62 far 0 68 0 - 5.9-8.4 HD2 PRO 117 - QD1 LEU 62 far 0 93 0 - 6.7-13.6 HB2 SER 50 - QD1 LEU 62 far 0 99 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 2007 from cnoeabs.peaks (2.06, 0.91, 26.02 ppm; 3.67 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.2-3.2 3.2=100 HB VAL 118 + QD1 LEU 62 OK 54 100 80 67 2.6-10.5 3739=23, 1991/2.1=11...(17) HG3 PRO 113 - QD1 LEU 62 far 5 100 5 - 4.8-11.3 HG3 PRO 58 - QD1 LEU 62 far 0 92 0 - 5.6-7.7 HG2 PRO 117 - QD1 LEU 62 far 0 100 0 - 6.2-14.1 HB3 GLN 27 - QD1 LEU 62 far 0 100 0 - 6.2-18.0 HB3 GLU 55 - QD1 LEU 62 far 0 92 0 - 6.3-11.2 HG3 PRO 117 - QD1 LEU 62 far 0 99 0 - 6.3-15.2 HB2 GLU 102 - QD1 LEU 62 far 0 71 0 - 7.8-12.7 QE MET 11 - QD1 LEU 62 far 0 90 0 - 8.2-32.7 HB2 GLN 127 - QD1 LEU 62 far 0 100 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 2008 from cnoeabs.peaks (1.14, 0.91, 26.02 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.0-2.6 3.2=100 QG2 THR 115 - QD1 LEU 62 far 0 97 0 - 5.6-9.5 QG2 THR 18 - QD1 LEU 62 far 0 65 0 - 7.8-27.8 HG12 ILE 32 - QD1 LEU 62 far 0 87 0 - 9.2-15.3 Violated in 0 structures by 0.00 A. Peak 2009 from cnoeabs.peaks (1.65, 0.91, 26.02 ppm; 3.30 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 119 + QD1 LEU 62 OK 57 68 90 93 2.2-7.9 3.7/10954=19, ~10992=17...(34) HB2 LEU 123 + QD1 LEU 62 OK 31 100 35 89 2.5-7.4 2001/2.1=21, ~10347=21...(30) HB2 LEU 69 - QD1 LEU 62 far 0 81 0 - 7.2-10.3 HD3 LYS 26 - QD1 LEU 62 far 0 97 0 - 8.7-19.0 HD2 LYS 26 - QD1 LEU 62 far 0 96 0 - 8.8-19.3 HD2 LYS 19 - QD1 LEU 62 far 0 100 0 - 9.8-32.9 Violated in 0 structures by 0.00 A. Peak 2010 from cnoeabs.peaks (0.68, 0.91, 26.02 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 100 + QD1 LEU 62 OK 52 100 70 74 2.4-7.8 1994/2.1=13, 1986/3.2=11...(19) Violated in 0 structures by 0.00 A. Peak 2011 from cnoeabs.peaks (0.91, 0.91, 26.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + QD1 LEU 62 OK 100 100 - 100 Peak 2012 from cnoeabs.peaks (8.20, 0.91, 26.02 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 63 + QD1 LEU 62 OK 100 100 100 100 1.9-4.5 6806/3.2=99, 6797/4.6=92...(23) H LEU 122 + QD1 LEU 62 OK 81 87 95 98 4.1-9.0 ~10956=70, ~11483=42...(22) H GLN 127 - QD1 LEU 62 far 15 100 15 - 7.6-10.4 Violated in 0 structures by 0.00 A. Peak 2013 from cnoeabs.peaks (8.20, 3.37, 66.55 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 63 + HA VAL 63 OK 100 100 100 100 2.7-2.9 2.9=100 H LEU 122 - HA VAL 63 far 0 87 0 - 6.1-11.5 Violated in 0 structures by 0.00 A. Peak 2014 from cnoeabs.peaks (3.37, 3.37, 66.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + HA VAL 63 OK 100 100 - 100 Peak 2015 from cnoeabs.peaks (2.02, 3.37, 66.55 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 63 + HA VAL 63 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 LEU 53 - HA VAL 63 far 0 63 0 - 6.9-13.3 HB3 GLU 30 - HA VAL 63 far 0 100 0 - 8.9-18.2 QE MET 11 - HA VAL 63 far 0 85 0 - 9.0-37.6 HG2 PRO 58 - HA VAL 63 far 0 100 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 2016 from cnoeabs.peaks (0.78, 3.37, 66.55 ppm; 3.24 A): 1 out of 10 assignments used, quality = 1.00: * QG1 VAL 63 + HA VAL 63 OK 100 100 100 100 2.4-2.8 3.2=100 QD2 LEU 122 - HA VAL 63 poor 17 100 40 42 2.5-6.7 11388/10958=11...(14) QD1 LEU 103 - HA VAL 63 far 10 100 10 - 2.9-7.0 QD1 LEU 122 - HA VAL 63 poor 8 73 40 28 1.7-6.7 ~10972=5, 11492/10958=4...(12) QD2 LEU 119 - HA VAL 63 far 4 87 5 - 4.1-11.4 QD1 LEU 53 - HA VAL 63 far 0 97 0 - 4.8-11.3 QD2 LEU 49 - HA VAL 63 far 0 93 0 - 5.1-7.8 QD1 ILE 32 - HA VAL 63 far 0 99 0 - 5.7-11.9 QD1 LEU 96 - HA VAL 63 far 0 97 0 - 6.3-9.3 QD1 ILE 37 - HA VAL 63 far 0 100 0 - 8.3-15.2 Violated in 0 structures by 0.00 A. Peak 2017 from cnoeabs.peaks (0.91, 3.37, 66.55 ppm; 3.32 A): 2 out of 12 assignments used, quality = 1.00: * QG2 VAL 63 + HA VAL 63 OK 100 100 100 100 2.0-2.5 3.2=100 QD1 LEU 62 + HA VAL 63 OK 72 100 75 95 2.0-5.3 2.1/9386=42, 6814/2.9=24...(31) QG1 VAL 118 - HA VAL 63 poor 19 97 20 - 3.9-10.1 QD2 LEU 123 - HA VAL 63 far 3 68 5 - 4.7-9.3 QD1 LEU 123 - HA VAL 63 far 0 89 0 - 6.5-11.6 QD1 LEU 48 - HA VAL 63 far 0 95 0 - 6.9-14.5 QD1 LEU 49 - HA VAL 63 far 0 100 0 - 7.1-8.8 QD2 LEU 48 - HA VAL 63 far 0 100 0 - 7.1-12.8 QG2 VAL 112 - HA VAL 63 far 0 95 0 - 7.7-15.2 QG2 ILE 37 - HA VAL 63 far 0 71 0 - 8.0-15.9 QG2 VAL 20 - HA VAL 63 far 0 85 0 - 8.1-26.2 QG1 VAL 20 - HA VAL 63 far 0 100 0 - 9.2-28.7 Violated in 0 structures by 0.00 A. Peak 2018 from cnoeabs.peaks (7.96, 3.37, 66.55 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 64 + HA VAL 63 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 112 - HA VAL 63 far 0 73 0 - 8.4-15.1 H SER 124 - HA VAL 63 far 0 95 0 - 8.8-13.4 Violated in 0 structures by 0.00 A. Peak 2019 from cnoeabs.peaks (8.90, 3.37, 66.55 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + HA VAL 63 OK 100 100 100 100 3.2-4.1 6848=59, 10045/11009=50...(27) H ASN 59 - HA VAL 63 far 0 99 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 2020 from cnoeabs.peaks (4.01, 2.02, 31.71 ppm; 4.19 A): 1 out of 10 assignments used, quality = 1.00: * HA SER 60 + HB VAL 63 OK 100 100 100 100 3.1-4.0 1902=100, 10978/2.1=79...(13) HB3 SER 99 - HB3 PRO 117 far 0 43 0 - 5.9-9.0 HA LEU 119 - HB VAL 63 far 0 90 0 - 6.6-12.2 HA LEU 103 - HB VAL 63 far 0 99 0 - 6.8-9.4 HA LEU 119 - HB3 PRO 117 far 0 35 0 - 7.4-8.2 HB3 SER 124 - HB3 PRO 117 far 0 30 0 - 7.9-10.3 HA LEU 103 - HB3 PRO 117 far 0 41 0 - 8.2-13.4 HB2 SER 124 - HB3 PRO 117 far 0 36 0 - 8.6-11.0 HA LYS 95 - HB3 PRO 117 far 0 40 0 - 9.1-13.9 HA GLN 68 - HB VAL 63 far 0 90 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 2021 from cnoeabs.peaks (8.20, 2.02, 31.71 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 63 + HB VAL 63 OK 100 100 100 100 2.1-2.6 6812=100, 2027/2.1=67...(10) H LEU 122 - HB3 PRO 117 far 0 33 0 - 5.6-8.2 H LEU 122 - HB VAL 63 far 0 87 0 - 8.8-14.0 Violated in 0 structures by 0.00 A. Peak 2022 from cnoeabs.peaks (3.37, 2.02, 31.71 ppm; 4.56 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 63 + HB VAL 63 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 HIS 67 + HB VAL 63 OK 36 73 60 81 4.9-7.0 2028/2.1=38, ~9468=20...(9) Violated in 0 structures by 0.00 A. Peak 2023 from cnoeabs.peaks (2.02, 2.02, 31.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 63 + HB VAL 63 OK 100 100 - 100 HB3 PRO 117 + HB3 PRO 117 OK 37 37 - 100 Peak 2024 from cnoeabs.peaks (0.78, 2.02, 31.71 ppm; 3.30 A): 1 out of 15 assignments used, quality = 1.00: * QG1 VAL 63 + HB VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 103 - HB VAL 63 poor 20 100 20 - 4.1-6.4 QD2 LEU 119 - HB VAL 63 far 4 87 5 - 4.7-12.5 QD1 LEU 122 - HB VAL 63 far 4 73 5 - 4.3-9.3 QD2 LEU 119 - HB3 PRO 117 far 2 33 5 - 4.2-8.2 QD2 LEU 122 - HB VAL 63 far 0 100 0 - 4.9-9.2 QD1 LEU 103 - HB3 PRO 117 far 0 43 0 - 5.3-12.1 QD1 ILE 32 - HB VAL 63 far 0 99 0 - 5.5-13.6 QD2 LEU 122 - HB3 PRO 117 far 0 43 0 - 6.5-10.2 QD1 LEU 122 - HB3 PRO 117 far 0 26 0 - 6.7-9.8 QD1 LEU 53 - HB VAL 63 far 0 97 0 - 6.9-13.1 QD2 LEU 49 - HB VAL 63 far 0 93 0 - 7.4-9.6 QD1 LEU 53 - HB3 PRO 117 far 0 39 0 - 8.0-13.1 QD1 LEU 96 - HB VAL 63 far 0 97 0 - 8.7-11.6 QD1 ILE 37 - HB VAL 63 far 0 100 0 - 9.1-16.5 Violated in 0 structures by 0.00 A. Peak 2025 from cnoeabs.peaks (0.91, 2.02, 31.71 ppm; 3.51 A): 2 out of 18 assignments used, quality = 1.00: * QG2 VAL 63 + HB VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 + HB VAL 63 OK 47 100 50 95 3.1-6.2 ~11012=24, 2017/3.0=24...(26) QG1 VAL 118 - HB VAL 63 far 0 97 0 - 5.3-11.8 QG1 VAL 118 - HB3 PRO 117 far 0 39 0 - 5.7-6.7 QG2 VAL 112 - HB VAL 63 far 0 95 0 - 5.9-15.9 QD2 LEU 123 - HB VAL 63 far 0 68 0 - 7.0-11.6 QG2 VAL 112 - HB3 PRO 117 far 0 37 0 - 7.1-13.4 QD1 LEU 62 - HB3 PRO 117 far 0 43 0 - 7.2-14.2 QD2 LEU 123 - HB3 PRO 117 far 0 24 0 - 7.4-11.3 QD2 LEU 48 - HB VAL 63 far 0 100 0 - 7.9-13.8 QD1 LEU 123 - HB VAL 63 far 0 89 0 - 8.2-13.9 QD1 LEU 48 - HB VAL 63 far 0 95 0 - 8.3-15.5 QG2 VAL 20 - HB VAL 63 far 0 85 0 - 8.6-26.2 QD1 LEU 123 - HB3 PRO 117 far 0 34 0 - 8.7-11.3 QG2 VAL 63 - HB3 PRO 117 far 0 43 0 - 9.0-14.9 QD1 LEU 49 - HB VAL 63 far 0 100 0 - 9.1-10.6 QG2 ILE 37 - HB VAL 63 far 0 71 0 - 9.3-17.3 QD1 LEU 22 - HB VAL 63 far 0 90 0 - 9.4-25.9 Violated in 0 structures by 0.00 A. Peak 2026 from cnoeabs.peaks (7.96, 2.02, 31.71 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 64 + HB VAL 63 OK 100 100 100 100 2.4-2.9 6824=100, 6825/2.1=66...(19) H VAL 112 - HB3 PRO 117 far 1 26 5 - 4.9-16.5 H VAL 112 - HB VAL 63 far 0 73 0 - 5.6-16.4 H SER 124 - HB3 PRO 117 far 0 37 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 2027 from cnoeabs.peaks (8.20, 0.78, 21.57 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 63 + QG1 VAL 63 OK 100 100 100 100 3.5-3.8 4.0=99, 6812/2.1=80...(15) H LEU 122 - QG1 VAL 63 far 0 87 0 - 7.5-11.4 Violated in 0 structures by 0.00 A. Peak 2028 from cnoeabs.peaks (3.37, 0.78, 21.57 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.4-2.8 3.2=100 HB2 HIS 67 + QG1 VAL 63 OK 61 73 100 83 2.5-4.2 4.0/9406=39...(16) Violated in 0 structures by 0.00 A. Peak 2029 from cnoeabs.peaks (2.02, 0.78, 21.57 ppm; 3.16 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QE MET 11 - QG1 VAL 63 far 0 85 0 - 5.4-32.2 HB3 GLU 30 - QG1 VAL 63 far 0 100 0 - 6.0-15.3 HB3 LEU 53 - QG1 VAL 63 far 0 63 0 - 8.2-13.6 HG2 PRO 58 - QG1 VAL 63 far 0 100 0 - 8.4-10.1 HB3 MET 11 - QG1 VAL 63 far 0 100 0 - 9.8-38.1 Violated in 0 structures by 0.00 A. Peak 2030 from cnoeabs.peaks (0.78, 0.78, 21.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 63 + QG1 VAL 63 OK 100 100 - 100 Peak 2031 from cnoeabs.peaks (0.91, 0.78, 21.57 ppm; 2.65 A): 2 out of 13 assignments used, quality = 1.00: * QG2 VAL 63 + QG1 VAL 63 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 + QG1 VAL 63 OK 37 100 45 82 3.6-6.4 2025/2.1=14, 2017/3.2=13...(30) QG1 VAL 118 - QG1 VAL 63 far 0 97 0 - 4.5-9.3 QG2 VAL 112 - QG1 VAL 63 far 0 95 0 - 5.3-13.4 QD2 LEU 123 - QG1 VAL 63 far 0 68 0 - 5.8-9.8 QG2 ILE 37 - QG1 VAL 63 far 0 71 0 - 7.2-13.5 QD1 LEU 48 - QG1 VAL 63 far 0 95 0 - 7.4-13.5 QD2 LEU 48 - QG1 VAL 63 far 0 100 0 - 7.4-12.0 QD1 LEU 123 - QG1 VAL 63 far 0 89 0 - 7.6-11.7 QD1 LEU 49 - QG1 VAL 63 far 0 100 0 - 7.7-9.3 QD1 LEU 22 - QG1 VAL 63 far 0 90 0 - 7.7-21.8 QG2 VAL 20 - QG1 VAL 63 far 0 85 0 - 8.0-22.1 QG1 VAL 20 - QG1 VAL 63 far 0 100 0 - 9.3-24.2 Violated in 0 structures by 0.00 A. Peak 2032 from cnoeabs.peaks (7.96, 0.78, 21.57 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 64 + QG1 VAL 63 OK 100 100 100 100 2.2-3.6 4.3=100 H VAL 112 - QG1 VAL 63 far 4 73 5 - 5.8-13.7 H SER 124 - QG1 VAL 63 far 0 95 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 2033 from cnoeabs.peaks (8.20, 0.91, 22.96 ppm; 3.66 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 63 + QG2 VAL 63 OK 100 100 100 100 1.9-3.0 3.7=94, 6812/2.1=70...(19) H GLN 127 + QD1 LEU 49 OK 40 58 100 70 2.9-4.7 4068/10437=22...(13) H LEU 122 - QG2 VAL 63 far 0 87 0 - 5.9-9.9 H LEU 122 - QD1 LEU 49 far 0 45 0 - 6.3-8.8 H VAL 63 - QD1 LEU 49 far 0 58 0 - 7.4-9.3 Violated in 0 structures by 0.00 A. Peak 2034 from cnoeabs.peaks (3.37, 0.91, 22.96 ppm; 3.46 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 63 + QG2 VAL 63 OK 100 100 100 100 2.0-2.5 3.2=100 HB2 HIS 67 - QG2 VAL 63 poor 18 73 25 - 4.4-6.6 HA VAL 63 - QD1 LEU 49 far 0 58 0 - 7.1-8.8 HB3 TYR 72 - QD1 LEU 49 far 0 33 0 - 7.3-11.1 HB2 HIS 67 - QD1 LEU 49 far 0 36 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 2035 from cnoeabs.peaks (2.02, 0.91, 22.96 ppm; 3.43 A): 2 out of 14 assignments used, quality = 1.00: * HB VAL 63 + QG2 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 53 + QD1 LEU 49 OK 23 30 90 86 2.4-5.6 4.0/11726=13...(35) HB ILE 129 - QD1 LEU 49 far 0 43 0 - 5.5-7.9 QE MET 11 - QG2 VAL 63 far 0 85 0 - 6.2-33.0 HB3 LEU 53 - QG2 VAL 63 far 0 63 0 - 6.9-12.5 HG2 PRO 58 - QG2 VAL 63 far 0 100 0 - 7.1-9.3 HB3 GLU 55 - QD1 LEU 49 far 0 42 0 - 7.4-11.0 HB3 GLU 30 - QG2 VAL 63 far 0 100 0 - 7.6-16.5 HB VAL 20 - QD1 LEU 49 far 0 42 0 - 8.3-25.8 HG3 PRO 117 - QG2 VAL 63 far 0 60 0 - 8.4-15.8 HB2 GLU 44 - QD1 LEU 49 far 0 58 0 - 8.4-10.1 HB3 PRO 117 - QG2 VAL 63 far 0 95 0 - 9.0-14.9 HB VAL 63 - QD1 LEU 49 far 0 58 0 - 9.1-10.6 HB3 GLU 30 - QD1 LEU 49 far 0 58 0 - 9.9-19.5 Violated in 0 structures by 0.00 A. Peak 2036 from cnoeabs.peaks (0.78, 0.91, 22.96 ppm; 2.74 A): 4 out of 21 assignments used, quality = 1.00: * QG1 VAL 63 + QG2 VAL 63 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 103 + QG2 VAL 63 OK 94 100 100 94 1.7-4.1 2.1/11822=25...(42) QD2 LEU 49 + QD1 LEU 49 OK 50 50 100 100 1.9-2.1 2.1=100 QD1 LEU 53 + QD1 LEU 49 OK 34 53 90 71 1.7-4.5 1674/3.2=10, 2.1/1583=9...(29) QD1 LEU 122 - QD1 LEU 49 poor 18 36 50 - 2.8-5.5 QD2 LEU 119 - QG2 VAL 63 poor 7 87 30 25 2.9-8.7 10940/11012=5...(8) QD2 LEU 122 - QG2 VAL 63 lone 6 100 30 20 3.0-6.9 2016/2034=5, ~10972=5...(8) QD2 LEU 122 - QD1 LEU 49 lone 4 58 45 14 3.0-6.5 11571/3925=2, ~1561=2...(7) QD1 LEU 122 - QG2 VAL 63 lone 3 73 30 15 3.0-6.9 ~10972=5, 2016/2034=2...(6) QD2 LEU 119 - QD1 LEU 49 far 0 45 0 - 5.0-10.6 QD1 LEU 96 - QD1 LEU 49 far 0 53 0 - 5.2-7.7 QD1 ILE 32 - QG2 VAL 63 far 0 99 0 - 5.3-11.3 QD1 LEU 53 - QG2 VAL 63 far 0 97 0 - 5.6-10.4 QD2 LEU 43 - QD1 LEU 49 far 0 30 0 - 5.6-8.2 QD1 ILE 32 - QD1 LEU 49 far 0 57 0 - 5.9-11.2 QD2 LEU 49 - QG2 VAL 63 far 0 93 0 - 6.1-8.3 QD1 ILE 37 - QD1 LEU 49 far 0 58 0 - 6.3-11.8 QD1 LEU 96 - QG2 VAL 63 far 0 97 0 - 6.4-9.3 QG1 VAL 63 - QD1 LEU 49 far 0 58 0 - 7.7-9.3 QD1 LEU 103 - QD1 LEU 49 far 0 58 0 - 8.5-11.4 QD1 ILE 37 - QG2 VAL 63 far 0 100 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 2037 from cnoeabs.peaks (0.91, 0.91, 22.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 63 + QG2 VAL 63 OK 100 100 - 100 QD1 LEU 49 + QD1 LEU 49 OK 58 58 - 100 Peak 2038 from cnoeabs.peaks (7.96, 0.91, 22.96 ppm; 4.93 A): 3 out of 7 assignments used, quality = 1.00: * H ASP 64 + QG2 VAL 63 OK 100 100 100 100 3.7-4.1 4.4=100 H SER 124 + QD1 LEU 49 OK 38 51 90 82 4.6-7.3 4.6/3934=25, 3.6/3914=22...(13) H SER 51 + QD1 LEU 49 OK 34 34 100 99 4.0-4.5 6610/4.7=39, ~1579=32...(24) H VAL 112 - QG2 VAL 63 lone 2 73 35 9 4.7-11.7 10136/10971=6, 7583/11478=2 H ASP 64 - QD1 LEU 49 far 0 58 0 - 8.0-9.7 H SER 124 - QG2 VAL 63 far 0 95 0 - 8.5-12.4 H THR 18 - QD1 LEU 49 far 0 50 0 - 9.1-29.3 Violated in 0 structures by 0.00 A. Peak 2039 from cnoeabs.peaks (7.96, 4.46, 57.70 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 64 + HA ASP 64 OK 100 100 100 100 2.7-2.8 2.9=100 H VAL 112 - HA ASP 64 far 0 73 0 - 8.8-19.9 H ILE 37 - HA ASP 64 far 0 99 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 2040 from cnoeabs.peaks (4.46, 4.46, 57.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 64 + HA ASP 64 OK 100 100 - 100 Peak 2041 from cnoeabs.peaks (2.75, 4.46, 57.70 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 64 + HA ASP 64 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2042 from cnoeabs.peaks (2.80, 4.46, 57.70 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 64 + HA ASP 64 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 ASP 71 - HA ASP 64 far 0 96 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 2043 from cnoeabs.peaks (8.38, 4.46, 57.70 ppm; 5.37 A): 1 out of 4 assignments used, quality = 1.00: * H THR 65 + HA ASP 64 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 27 - HA ASP 64 far 10 99 10 - 5.1-17.5 H LYS 26 - HA ASP 64 far 5 97 5 - 5.6-20.1 H LYS 24 - HA ASP 64 far 5 97 5 - 6.5-22.8 Violated in 0 structures by 0.00 A. Peak 2044 from cnoeabs.peaks (8.65, 4.46, 57.70 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 67 + HA ASP 64 OK 100 100 100 100 3.8-4.3 6861=71, 3.8/2046=61...(10) H SER 60 - HA ASP 64 far 0 97 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 2045 from cnoeabs.peaks (3.34, 4.46, 57.70 ppm; 4.56 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 67 + HA ASP 64 OK 100 100 100 100 2.9-5.1 2102=100, 1.8/2046=89...(9) HA VAL 63 + HA ASP 64 OK 73 73 100 100 4.8-4.9 4.9=79, 3.2/10980=70...(27) Violated in 0 structures by 0.00 A. Peak 2046 from cnoeabs.peaks (3.41, 4.46, 57.70 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HA ASP 64 OK 100 100 100 100 2.6-4.5 2110=99, 1.8/2102=80...(9) Violated in 2 structures by 0.01 A. Peak 2047 from cnoeabs.peaks (4.28, 2.75, 39.83 ppm; 4.28 A): 2 out of 29 assignments used, quality = 1.00: * HA GLN 61 + HB2 ASP 64 OK 100 100 100 100 2.2-3.5 1923=97, 2053/1.8=89...(6) HA LYS 36 + HB3 ASP 35 OK 63 64 100 98 4.2-5.6 3.0/6390=69, ~6389=47...(11) HA THR 25 - HB2 ASP 64 far 5 97 5 - 3.3-23.3 HA LYS 26 - HB2 ASP 64 far 5 96 5 - 4.9-23.3 HA ARG 23 - HB3 ASP 35 far 3 64 5 - 4.7-28.7 HA ALA 21 - HB3 ASP 35 far 3 62 5 - 4.6-30.5 HA THR 25 - HB3 ASP 35 far 3 61 5 - 3.3-23.4 HA LYS 26 - HB3 ASP 35 far 3 59 5 - 4.6-23.3 HA LYS 31 - HB3 ASP 35 far 0 65 0 - 5.8-11.8 HA LYS 31 - HB2 ASP 64 far 0 100 0 - 5.8-21.6 HA SER 74 - HB3 ASP 78 far 0 78 0 - 5.9-8.5 HA LEU 22 - HB3 ASP 35 far 0 57 0 - 5.9-30.4 HA THR 18 - HB3 ASP 35 far 0 60 0 - 6.0-36.0 HA ALA 108 - HB2 ASP 64 far 0 100 0 - 6.0-20.2 HA ALA 16 - HB3 ASP 35 far 0 64 0 - 6.1-35.5 HA ALA 12 - HB3 ASP 78 far 0 83 0 - 6.8-45.4 HA LEU 22 - HB2 ASP 64 far 0 95 0 - 6.9-25.1 HA ALA 21 - HB2 ASP 64 far 0 98 0 - 7.1-28.3 HA ALA 16 - HB3 ASP 78 far 0 82 0 - 7.4-45.0 HA LYS 31 - HB3 ASP 78 far 0 83 0 - 7.5-27.5 HA ALA 15 - HB3 ASP 35 far 0 65 0 - 7.8-33.2 HA ALA 109 - HB2 ASP 64 far 0 100 0 - 7.8-20.6 HA ALA 16 - HB2 ASP 64 far 0 100 0 - 8.1-33.2 HA ALA 12 - HB2 ASP 64 far 0 100 0 - 8.2-37.4 HA ALA 110 - HB2 ASP 64 far 0 100 0 - 8.4-22.7 HA LYS 19 - HB3 ASP 35 far 0 56 0 - 8.8-36.6 HA ARG 23 - HB2 ASP 64 far 0 100 0 - 8.9-22.8 HA ALA 15 - HB3 ASP 78 far 0 83 0 - 9.8-45.7 HA SER 74 - HB3 ASP 35 far 0 61 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 2048 from cnoeabs.peaks (7.96, 2.75, 39.83 ppm; 3.74 A): 1 out of 7 assignments used, quality = 0.97: * H ASP 64 + HB2 ASP 64 OK 97 100 100 97 2.1-3.1 3.9=91, 6819/2047=28...(7) H ILE 37 - HB3 ASP 35 far 0 62 0 - 5.3-6.0 H THR 18 - HB3 ASP 35 far 0 56 0 - 5.6-34.6 H SER 38 - HB3 ASP 35 far 0 42 0 - 5.8-8.9 H VAL 112 - HB2 ASP 64 far 0 73 0 - 8.3-20.2 H ILE 37 - HB2 ASP 64 far 0 99 0 - 9.2-18.2 H SER 38 - HB3 ASP 78 far 0 57 0 - 9.9-17.1 Violated in 0 structures by 0.00 A. Peak 2049 from cnoeabs.peaks (4.46, 2.75, 39.83 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + HB2 ASP 64 OK 100 100 100 100 2.9-3.0 3.0=100 HA PRO 58 - HB2 ASP 64 far 0 100 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 2050 from cnoeabs.peaks (2.75, 2.75, 39.83 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ASP 64 + HB2 ASP 64 OK 100 100 - 100 HB3 ASP 78 + HB3 ASP 78 OK 74 74 - 100 HB3 ASP 35 + HB3 ASP 35 OK 66 66 - 100 Peak 2051 from cnoeabs.peaks (2.80, 2.75, 39.83 ppm; 2.88 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 64 + HB2 ASP 64 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 13 - HB3 ASP 35 far 0 59 0 - 6.1-38.2 HB3 ASP 71 - HB3 ASP 35 far 0 59 0 - 8.3-15.3 Violated in 0 structures by 0.00 A. Peak 2052 from cnoeabs.peaks (8.38, 2.75, 39.83 ppm; 3.73 A): 2 out of 14 assignments used, quality = 0.98: * H THR 65 + HB2 ASP 64 OK 95 100 100 95 2.2-2.9 6840/1.8=63, 4.6=53...(10) H ASP 35 + HB3 ASP 35 OK 64 64 100 100 2.1-3.4 6383/1.8=90, 4.0=78...(8) H GLN 27 - HB2 ASP 64 far 5 99 5 - 5.0-20.0 H LYS 26 - HB2 ASP 64 far 5 97 5 - 4.0-22.5 H LYS 26 - HB3 ASP 35 far 3 61 5 - 4.1-24.1 H LYS 24 - HB3 ASP 35 far 3 60 5 - 4.8-28.1 H GLN 27 - HB3 ASP 35 far 0 62 0 - 6.7-22.3 H ASP 35 - HB3 ASP 78 far 0 82 0 - 6.7-20.9 H SER 74 - HB3 ASP 78 far 0 48 0 - 7.6-9.9 H LYS 24 - HB2 ASP 64 far 0 97 0 - 8.0-23.0 H GLY 14 - HB2 ASP 64 far 0 93 0 - 8.8-34.5 H SER 74 - HB3 ASP 35 far 0 36 0 - 9.4-17.2 H GLY 14 - HB3 ASP 35 far 0 56 0 - 9.4-35.2 H ASP 35 - HB2 ASP 64 far 0 99 0 - 9.9-20.6 Violated in 0 structures by 0.00 A. Peak 2053 from cnoeabs.peaks (4.28, 2.80, 39.83 ppm; 4.52 A): 1 out of 13 assignments used, quality = 1.00: * HA GLN 61 + HB3 ASP 64 OK 100 100 100 100 2.7-4.5 1924=100, 2047/1.8=88...(7) HA ALA 108 - HB3 ASP 64 far 10 100 10 - 4.7-20.3 HA LYS 31 - HB3 ASP 64 far 10 100 10 - 5.2-20.7 HA LYS 26 - HB3 ASP 64 far 10 96 10 - 3.9-23.2 HA THR 25 - HB3 ASP 64 far 5 97 5 - 3.8-23.4 HA LEU 22 - HB3 ASP 64 far 5 95 5 - 5.4-25.0 HA ALA 109 - HB3 ASP 64 far 0 100 0 - 6.2-21.9 HA ALA 21 - HB3 ASP 64 far 0 98 0 - 6.2-26.8 HA ALA 110 - HB3 ASP 64 far 0 100 0 - 6.7-23.8 HA ALA 16 - HB3 ASP 64 far 0 100 0 - 7.5-31.5 HA ARG 23 - HB3 ASP 64 far 0 100 0 - 8.1-23.1 HA ALA 12 - HB3 ASP 64 far 0 100 0 - 8.4-36.0 HA THR 18 - HB3 ASP 64 far 0 97 0 - 9.2-31.2 Violated in 0 structures by 0.00 A. Peak 2054 from cnoeabs.peaks (7.96, 2.80, 39.83 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 64 + HB3 ASP 64 OK 100 100 100 100 2.1-3.6 3.9=100 H VAL 112 - HB3 ASP 64 far 0 73 0 - 8.5-20.2 Violated in 0 structures by 0.00 A. Peak 2055 from cnoeabs.peaks (4.46, 2.80, 39.83 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 64 + HB3 ASP 64 OK 100 100 100 100 2.4-2.7 3.0=100 HA PRO 58 - HB3 ASP 64 far 0 100 0 - 9.7-11.9 HA SER 106 - HB3 ASP 64 far 0 100 0 - 9.7-17.8 Violated in 0 structures by 0.00 A. Peak 2056 from cnoeabs.peaks (2.75, 2.80, 39.83 ppm; 2.95 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 64 + HB3 ASP 64 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 13 - HB3 ASP 64 far 0 83 0 - 9.2-33.4 Violated in 0 structures by 0.00 A. Peak 2057 from cnoeabs.peaks (2.80, 2.80, 39.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 64 + HB3 ASP 64 OK 100 100 - 100 Peak 2058 from cnoeabs.peaks (8.38, 2.80, 39.83 ppm; 4.18 A): 1 out of 5 assignments used, quality = 1.00: * H THR 65 + HB3 ASP 64 OK 100 100 100 100 3.0-3.8 6840=100, 2052/1.8=52...(9) H GLN 27 - HB3 ASP 64 far 10 99 10 - 3.4-20.1 H LYS 26 - HB3 ASP 64 far 10 97 10 - 3.5-22.6 H LYS 24 - HB3 ASP 64 far 0 97 0 - 6.5-23.4 H GLY 14 - HB3 ASP 64 far 0 93 0 - 8.4-33.0 Violated in 0 structures by 0.00 A. Peak 2059 from cnoeabs.peaks (8.38, 3.97, 66.53 ppm; 4.66 A): 1 out of 5 assignments used, quality = 1.00: * H THR 65 + HA THR 65 OK 100 100 100 100 2.8-2.9 2.9=100 H LYS 26 - HA THR 65 far 0 97 0 - 7.4-21.6 H GLN 27 - HA THR 65 far 0 99 0 - 7.8-19.2 H LYS 24 - HA THR 65 far 0 97 0 - 8.6-22.5 H ASP 35 - HA THR 65 far 0 99 0 - 9.1-16.8 Violated in 0 structures by 0.00 A. Peak 2060 from cnoeabs.peaks (3.97, 3.97, 66.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 65 + HA THR 65 OK 100 100 - 100 Peak 2061 from cnoeabs.peaks (4.07, 3.97, 66.53 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 65 + HA THR 65 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 104 - HA THR 65 far 0 76 0 - 9.0-14.8 HA LEU 122 - HA THR 65 far 0 90 0 - 9.3-14.0 HA GLU 44 - HA THR 65 far 0 89 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 2062 from cnoeabs.peaks (1.23, 3.97, 66.53 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + HA THR 65 OK 100 100 100 100 2.1-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 2063 from cnoeabs.peaks (8.90, 3.97, 66.53 ppm; 5.98 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 66 + HA THR 65 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2064 from cnoeabs.peaks (7.86, 3.97, 66.53 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 68 + HA THR 65 OK 100 100 100 100 3.6-4.1 3.7/2140=64, 6877/3.6=61...(17) Violated in 0 structures by 0.00 A. Peak 2065 from cnoeabs.peaks (2.22, 3.97, 66.53 ppm; 4.18 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 68 + HA THR 65 OK 99 100 100 99 2.7-4.3 1.8/2140=59...(20) HG2 GLN 68 + HA THR 65 OK 90 96 95 99 2.3-5.8 1.8/11023=57...(20) HB3 GLN 104 - HA THR 65 far 0 100 0 - 8.1-13.3 HB2 GLN 104 - HA THR 65 far 0 57 0 - 8.4-12.8 HB3 LEU 96 - HA THR 65 far 0 89 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 2066 from cnoeabs.peaks (2.18, 3.97, 66.53 ppm; 4.58 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 68 + HA THR 65 OK 100 100 100 100 4.1-5.3 2140=84, 3.0/11023=58...(20) HB3 LEU 69 + HA THR 65 OK 79 95 85 98 4.2-7.0 9443/2074=79, ~11055=32...(17) HB2 GLN 104 - HA THR 65 far 0 97 0 - 8.4-12.8 Violated in 1 structures by 0.03 A. Peak 2067 from cnoeabs.peaks (3.85, 4.07, 67.84 ppm; 5.22 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 62 + HB THR 65 OK 100 100 100 100 2.6-4.7 1970=100, 10997/2.1=82...(16) HA LEU 123 - HB THR 65 far 10 100 10 - 5.1-10.9 HB2 SER 50 - HB THR 65 far 0 99 0 - 7.7-11.8 HB2 SER 130 - HB THR 65 far 0 73 0 - 9.5-13.0 HD3 PRO 58 - HB THR 65 far 0 68 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2068 from cnoeabs.peaks (8.38, 4.07, 67.84 ppm; 4.69 A): 1 out of 4 assignments used, quality = 1.00: * H THR 65 + HB THR 65 OK 100 100 100 100 2.2-3.3 4.0=100 H LYS 26 - HB THR 65 far 0 97 0 - 7.1-22.6 H LYS 24 - HB THR 65 far 0 97 0 - 8.5-23.0 H GLN 27 - HB THR 65 far 0 99 0 - 8.7-20.3 Violated in 0 structures by 0.00 A. Peak 2069 from cnoeabs.peaks (3.97, 4.07, 67.84 ppm; 4.35 A): 1 out of 11 assignments used, quality = 1.00: * HA THR 65 + HB THR 65 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 50 - HB THR 65 far 0 68 0 - 6.7-10.7 HA VAL 20 - HB THR 65 far 0 83 0 - 7.5-27.5 HA GLN 68 - HB THR 65 far 0 76 0 - 7.7-8.5 HB3 SER 51 - HB THR 65 far 0 97 0 - 8.0-11.9 HB2 SER 51 - HB THR 65 far 0 63 0 - 8.2-12.2 HA GLN 127 - HB THR 65 far 0 100 0 - 8.5-12.4 HA LEU 100 - HB THR 65 far 0 98 0 - 8.7-12.6 HB3 SER 107 - HB THR 65 far 0 97 0 - 8.7-16.0 HA2 GLY 17 - HB THR 65 far 0 98 0 - 8.7-33.3 HA3 GLY 17 - HB THR 65 far 0 98 0 - 9.8-31.7 Violated in 0 structures by 0.00 A. Peak 2070 from cnoeabs.peaks (4.07, 4.07, 67.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 65 + HB THR 65 OK 100 100 - 100 Peak 2071 from cnoeabs.peaks (1.23, 4.07, 67.84 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 65 + HB THR 65 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 54 - HB THR 65 far 0 96 0 - 8.4-12.9 Violated in 0 structures by 0.00 A. Peak 2072 from cnoeabs.peaks (8.90, 4.07, 67.84 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + HB THR 65 OK 100 100 100 100 2.1-4.0 4.5=100 H ASN 59 - HB THR 65 far 0 99 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2073 from cnoeabs.peaks (8.38, 1.23, 22.77 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: * H THR 65 + QG2 THR 65 OK 100 100 100 100 1.9-3.8 4.0=100 H GLN 27 - QG2 THR 65 far 5 99 5 - 5.5-16.0 H LYS 26 - QG2 THR 65 far 0 97 0 - 6.8-17.8 H LYS 24 - QG2 THR 65 far 0 97 0 - 8.4-18.1 H ASP 35 - QG2 THR 65 far 0 99 0 - 9.2-16.1 H SER 74 - QG2 THR 65 far 0 65 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 2074 from cnoeabs.peaks (3.97, 1.23, 22.77 ppm; 3.27 A): 1 out of 14 assignments used, quality = 1.00: * HA THR 65 + QG2 THR 65 OK 100 100 100 100 2.1-3.2 3.2=100 HA VAL 20 - QG2 THR 65 far 0 83 0 - 5.0-21.7 HA SER 50 - QG2 THR 65 far 0 68 0 - 5.6-7.2 HB3 SER 51 - QG2 THR 65 far 0 97 0 - 5.8-9.0 HB2 SER 51 - QG2 THR 65 far 0 63 0 - 6.0-9.5 HA GLN 127 - QG2 THR 65 far 0 100 0 - 6.4-9.2 HA GLN 68 - QG2 THR 65 far 0 76 0 - 6.4-7.5 HA2 GLY 17 - QG2 THR 65 far 0 98 0 - 6.8-25.8 HA LEU 100 - QG2 THR 65 far 0 98 0 - 7.2-10.7 HA3 GLY 17 - QG2 THR 65 far 0 98 0 - 8.1-25.1 HB3 SER 107 - QG2 THR 65 far 0 97 0 - 8.3-13.1 HB2 SER 124 - QG2 THR 65 far 0 71 0 - 8.8-13.5 HB2 SER 106 - QG2 THR 65 far 0 100 0 - 9.1-17.0 HB3 SER 106 - QG2 THR 65 far 0 99 0 - 9.8-17.4 Violated in 0 structures by 0.00 A. Peak 2075 from cnoeabs.peaks (4.07, 1.23, 22.77 ppm; 3.21 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 65 + QG2 THR 65 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 122 - QG2 THR 65 far 0 90 0 - 6.4-11.5 HA GLU 44 - QG2 THR 65 far 0 89 0 - 7.2-9.6 HA GLN 104 - QG2 THR 65 far 0 76 0 - 7.8-13.0 HA LEU 96 - QG2 THR 65 far 0 73 0 - 8.3-11.7 Violated in 0 structures by 0.00 A. Peak 2076 from cnoeabs.peaks (1.23, 1.23, 22.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + QG2 THR 65 OK 100 100 - 100 Peak 2077 from cnoeabs.peaks (8.90, 1.23, 22.77 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + QG2 THR 65 OK 100 100 100 100 1.8-4.0 4.4=100 H ASN 59 - QG2 THR 65 far 0 99 0 - 8.1-10.8 Violated in 0 structures by 0.00 A. Peak 2078 from cnoeabs.peaks (8.90, 3.63, 47.55 ppm; 5.96 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 66 + HA2 GLY 66 OK 100 100 100 100 2.3-2.9 2.9=100 H GLY 66 + HA3 GLY 66 OK 99 99 100 100 2.3-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 2079 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + HA2 GLY 66 OK 100 100 - 100 HA3 GLY 66 + HA3 GLY 66 OK 98 98 - 100 Peak 2080 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA2 GLY 66 + HA2 GLY 66 OK 100 100 - 100 HA3 GLY 66 + HA3 GLY 66 OK 99 99 - 100 Reference assignment not found: HA3 GLY 66 - HA2 GLY 66 Peak 2081 from cnoeabs.peaks (8.65, 3.63, 47.55 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * H HIS 67 + HA2 GLY 66 OK 100 100 100 100 2.6-3.6 3.6=100 H HIS 67 + HA3 GLY 66 OK 99 99 100 100 2.5-3.6 3.6=100 H SER 50 + HA2 GLY 66 OK 58 100 85 68 6.0-10.3 1579/9208=37...(5) H SER 50 - HA3 GLY 66 poor 19 99 30 64 7.0-11.1 1579/9208=35...(5) H SER 60 - HA3 GLY 66 far 0 95 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 2085 from cnoeabs.peaks (8.90, 3.63, 47.55 ppm; 5.96 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 66 + HA3 GLY 66 OK 100 100 100 100 2.3-2.8 2.9=100 H GLY 66 + HA2 GLY 66 OK 99 99 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2086 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 66 + HA3 GLY 66 OK 100 100 - 100 HA2 GLY 66 + HA2 GLY 66 OK 99 99 - 100 Reference assignment not found: HA2 GLY 66 - HA3 GLY 66 Peak 2087 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + HA3 GLY 66 OK 100 100 - 100 HA2 GLY 66 + HA2 GLY 66 OK 98 98 - 100 Peak 2088 from cnoeabs.peaks (8.65, 3.63, 47.55 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * H HIS 67 + HA3 GLY 66 OK 100 100 100 100 2.5-3.6 3.6=100 H HIS 67 + HA2 GLY 66 OK 99 99 100 100 2.6-3.6 3.6=100 H SER 50 + HA2 GLY 66 OK 57 99 85 67 6.0-10.3 1579/9208=37...(5) H SER 50 - HA3 GLY 66 poor 19 100 30 64 7.0-11.1 1579/9208=35...(5) H SER 60 - HA3 GLY 66 far 0 97 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 2092 from cnoeabs.peaks (8.65, 4.22, 58.98 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 67 + HA HIS 67 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2093 from cnoeabs.peaks (4.22, 4.22, 58.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 67 + HA HIS 67 OK 100 100 - 100 Peak 2094 from cnoeabs.peaks (3.34, 4.22, 58.98 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HB2 HIS 67 + HA HIS 67 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 63 + HA HIS 67 OK 46 73 70 89 4.9-5.8 6860/2.9=26...(18) HB3 CYS 73 - HA HIS 67 far 0 81 0 - 7.7-10.2 HB3 TYR 72 - HA HIS 67 far 0 100 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 2095 from cnoeabs.peaks (3.41, 4.22, 58.98 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + HA HIS 67 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 126 - HA HIS 67 far 0 63 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 2096 from cnoeabs.peaks (7.15, 4.22, 58.98 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HA HIS 67 OK 100 100 100 100 2.1-4.7 5501=87, 6870/2.9=56...(10) QD TYR 72 - HA HIS 67 far 0 100 0 - 7.4-8.1 Violated in 3 structures by 0.03 A. Peak 2098 from cnoeabs.peaks (7.86, 4.22, 58.98 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HA HIS 67 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 102 - HA HIS 67 far 0 95 0 - 7.4-9.8 Violated in 0 structures by 0.00 A. Peak 2099 from cnoeabs.peaks (8.46, 4.22, 58.98 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA HIS 67 OK 100 100 100 100 3.4-4.1 6936=100, 3.6/6916=59...(20) H LEU 100 - HA HIS 67 far 0 78 0 - 6.4-8.0 Violated in 0 structures by 0.00 A. Peak 2100 from cnoeabs.peaks (1.71, 4.22, 58.98 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 70 + HA HIS 67 OK 100 100 100 100 2.2-4.9 3.2/9462=69...(26) HB3 LEU 70 + HA HIS 67 OK 100 100 100 100 2.1-4.9 3.2/9462=69...(26) Violated in 0 structures by 0.00 A. Peak 2101 from cnoeabs.peaks (1.71, 4.22, 58.98 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 70 + HA HIS 67 OK 100 100 100 100 2.1-4.9 3.2/9462=69...(26) HB2 LEU 70 + HA HIS 67 OK 100 100 100 100 2.2-4.9 3.2/9462=69...(26) Violated in 0 structures by 0.00 A. Peak 2102 from cnoeabs.peaks (4.46, 3.34, 27.78 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + HB2 HIS 67 OK 100 100 100 100 2.9-5.1 2046/1.8=99, 2044/3.8=72...(10) HA SER 106 - HB2 HIS 67 far 10 100 10 - 4.4-16.3 Violated in 0 structures by 0.00 A. Peak 2103 from cnoeabs.peaks (8.65, 3.34, 27.78 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.1-3.2 3.8=100 H SER 60 - HB2 HIS 67 far 0 97 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2104 from cnoeabs.peaks (4.22, 3.34, 27.78 ppm; 4.31 A): 1 out of 8 assignments used, quality = 1.00: * HA HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 29 - HB2 HIS 67 poor 19 97 20 - 4.1-12.0 HA GLU 30 - HB2 HIS 67 far 5 99 5 - 5.0-13.0 HA GLN 27 - HB2 HIS 67 far 3 68 5 - 5.2-18.4 HA ALA 28 - HB2 HIS 67 far 0 83 0 - 6.2-15.4 HA VAL 105 - HB2 HIS 67 far 0 65 0 - 7.0-13.9 HA ALA 34 - HB2 HIS 67 far 0 99 0 - 7.4-16.7 HB THR 25 - HB2 HIS 67 far 0 90 0 - 9.7-20.3 Violated in 0 structures by 0.00 A. Peak 2105 from cnoeabs.peaks (3.34, 3.34, 27.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 67 + HB2 HIS 67 OK 100 100 - 100 Peak 2106 from cnoeabs.peaks (3.41, 3.34, 27.78 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HB2 HIS 67 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2107 from cnoeabs.peaks (7.15, 3.34, 27.78 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.8-4.0 4.0=100 QD TYR 72 - HB2 HIS 67 far 0 100 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. Peak 2109 from cnoeabs.peaks (7.86, 3.34, 27.78 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB2 HIS 67 OK 100 100 100 100 2.2-4.0 4.4=100 H GLU 102 - HB2 HIS 67 far 0 95 0 - 7.7-11.6 Violated in 0 structures by 0.00 A. Peak 2110 from cnoeabs.peaks (4.46, 3.41, 27.78 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + HB3 HIS 67 OK 100 100 100 100 2.6-4.5 2046=100, 2102/1.8=96...(10) HA SER 106 - HB3 HIS 67 far 5 100 5 - 5.1-15.1 Violated in 0 structures by 0.00 A. Peak 2111 from cnoeabs.peaks (8.65, 3.41, 27.78 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.1-3.6 3.8=100 H SER 60 - HB3 HIS 67 far 0 97 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 2112 from cnoeabs.peaks (4.22, 3.41, 27.78 ppm; 4.36 A): 1 out of 7 assignments used, quality = 1.00: * HA HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 29 - HB3 HIS 67 poor 19 97 20 - 4.8-13.5 HA GLU 30 - HB3 HIS 67 far 5 99 5 - 5.3-13.9 HA GLN 27 - HB3 HIS 67 far 3 68 5 - 4.8-19.4 HA ALA 28 - HB3 HIS 67 far 0 83 0 - 6.2-16.7 HA VAL 105 - HB3 HIS 67 far 0 65 0 - 6.7-12.6 HA ALA 34 - HB3 HIS 67 far 0 99 0 - 8.9-17.7 Violated in 0 structures by 0.00 A. Peak 2113 from cnoeabs.peaks (3.34, 3.41, 27.78 ppm; 3.33 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 67 + HB3 HIS 67 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 63 + HB3 HIS 67 OK 34 73 65 71 3.6-6.3 4.9/2046=24, 6860/3.8=14...(11) HB3 TYR 72 - HB3 HIS 67 far 0 100 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 2114 from cnoeabs.peaks (3.41, 3.41, 27.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HB3 HIS 67 OK 100 100 - 100 Peak 2115 from cnoeabs.peaks (7.15, 3.41, 27.78 ppm; 6.72 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.7-4.0 4.0=100 QD TYR 72 - HB3 HIS 67 poor 13 100 30 43 7.6-9.6 9481/9457=16, ~11130=14...(6) Violated in 0 structures by 0.00 A. Peak 2117 from cnoeabs.peaks (7.86, 3.41, 27.78 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB3 HIS 67 OK 100 100 100 100 2.2-3.8 4.4=100 H GLU 102 - HB3 HIS 67 far 0 95 0 - 7.6-11.4 Violated in 0 structures by 0.00 A. Peak 2118 from cnoeabs.peaks (7.86, 3.99, 58.83 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HA GLN 68 OK 100 100 100 100 2.7-2.8 2.9=100 H ALA 88 - HA GLU 91 far 0 79 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 2119 from cnoeabs.peaks (3.99, 3.99, 58.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 68 + HA GLN 68 OK 100 100 - 100 HA GLU 91 + HA GLU 91 OK 72 72 - 100 Peak 2120 from cnoeabs.peaks (2.22, 3.99, 58.83 ppm; 3.86 A): 3 out of 11 assignments used, quality = 1.00: * HB2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 68 + HA GLN 68 OK 96 96 100 100 2.0-3.9 3.7=100 HG2 GLU 91 + HA GLU 91 OK 78 78 100 100 2.0-3.4 3.9=100 HB3 LEU 96 - HA GLU 91 far 0 66 0 - 7.4-10.3 HB2 GLN 104 - HA GLN 68 far 0 57 0 - 7.9-12.6 HB3 GLU 128 - HA GLU 91 far 0 79 0 - 8.0-12.2 HB3 GLN 104 - HA GLN 68 far 0 100 0 - 8.2-13.4 HB3 LEU 96 - HA GLN 68 far 0 89 0 - 9.3-12.4 HB2 GLN 101 - HA GLN 68 far 0 95 0 - 9.3-12.7 HB3 GLU 97 - HA GLU 91 far 0 81 0 - 9.7-11.9 HB3 GLU 97 - HA GLN 68 far 0 100 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2121 from cnoeabs.peaks (2.18, 3.99, 58.83 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 68 + HA GLN 68 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 LEU 69 + HA GLN 68 OK 32 95 35 96 5.5-6.6 4.4/6938=46...(26) HB2 GLN 104 - HA GLN 68 far 0 97 0 - 7.9-12.6 HB2 GLN 101 - HA GLN 68 far 0 63 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 2122 from cnoeabs.peaks (2.23, 3.99, 58.83 ppm; 3.84 A): 3 out of 10 assignments used, quality = 1.00: * HG2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.0-3.9 3.7=100 HB2 GLN 68 + HA GLN 68 OK 96 96 100 100 2.4-3.0 3.0=100 HG2 GLU 91 + HA GLU 91 OK 80 80 100 100 2.0-3.4 3.9=98, 1.8/2884=74...(18) HB3 LEU 96 - HA GLU 91 far 0 80 0 - 7.4-10.3 HB3 GLU 128 - HA GLU 91 far 0 79 0 - 8.0-12.2 HB3 GLN 104 - HA GLN 68 far 0 98 0 - 8.2-13.4 HB3 LEU 96 - HA GLN 68 far 0 100 0 - 9.3-12.4 HB2 GLN 101 - HA GLN 68 far 0 71 0 - 9.3-12.7 HB3 GLU 97 - HA GLU 91 far 0 69 0 - 9.7-11.9 HB3 GLU 97 - HA GLN 68 far 0 92 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2123 from cnoeabs.peaks (2.32, 3.99, 58.83 ppm; 3.78 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 68 + HA GLN 68 OK 100 100 100 100 2.7-4.1 3.7=100 HG3 GLU 30 - HA GLN 68 far 0 99 0 - 7.9-15.7 HB VAL 77 - HA GLU 91 far 0 75 0 - 7.9-9.5 HG2 GLN 27 - HA GLN 68 far 0 60 0 - 9.0-18.7 HB3 GLN 101 - HA GLN 68 far 0 76 0 - 9.2-13.5 HG3 GLU 30 - HA GLU 91 far 0 78 0 - 9.3-28.9 Violated in 1 structures by 0.02 A. Peak 2124 from cnoeabs.peaks (6.86, 3.99, 58.83 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HA GLN 68 OK 100 100 100 100 1.8-5.5 5.2=100 HE21 GLN 27 - HA GLU 91 far 0 78 0 - 8.8-32.3 Violated in 0 structures by 0.00 A. Peak 2126 from cnoeabs.peaks (8.30, 3.99, 58.83 ppm; 4.35 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 69 + HA GLN 68 OK 100 100 100 100 3.5-3.6 3.6=100 H TYR 72 + HA GLN 68 OK 75 76 100 99 4.4-4.9 3.4/6956=59, 4.6/2129=50...(17) H LEU 96 - HA GLU 91 far 0 52 0 - 6.4-7.4 H ALA 28 - HA GLN 68 far 0 63 0 - 8.4-16.5 H ALA 28 - HA GLU 91 far 0 44 0 - 9.3-29.6 H LEU 49 - HA GLN 68 far 0 100 0 - 9.4-13.1 H VAL 126 - HA GLU 91 far 0 78 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2127 from cnoeabs.peaks (8.14, 3.99, 58.83 ppm; 3.99 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 71 + HA GLN 68 OK 100 100 100 100 3.5-4.0 6956=82, 6968/2129=56...(21) H GLU 91 + HA GLU 91 OK 73 73 100 100 2.7-2.8 2.9=100 H ILE 32 - HA GLN 68 far 5 100 5 - 5.5-10.9 H PHE 87 - HA GLU 91 far 0 59 0 - 8.2-8.9 H LEU 22 - HA GLN 68 far 0 97 0 - 8.8-24.7 Violated in 0 structures by 0.00 A. Peak 2128 from cnoeabs.peaks (2.63, 3.99, 58.83 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HA GLN 68 OK 100 100 100 100 3.3-4.3 2284=100, 1.8/2129=89...(15) Violated in 0 structures by 0.00 A. Peak 2129 from cnoeabs.peaks (2.81, 3.99, 58.83 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 71 + HA GLN 68 OK 100 100 100 100 2.5-5.4 2290=91, 1.8/2128=76...(15) HB3 ASP 64 - HA GLN 68 far 0 96 0 - 6.9-9.1 HB2 ASN 121 - HA GLU 91 far 0 69 0 - 9.0-17.0 HB2 ASN 13 - HA GLN 68 far 0 100 0 - 9.8-33.1 Violated in 1 structures by 0.07 A. Peak 2130 from cnoeabs.peaks (3.97, 2.22, 28.25 ppm; 4.32 A): 5 out of 27 assignments used, quality = 1.00: * HA THR 65 + HB2 GLN 68 OK 100 100 100 100 2.7-4.3 2065=52, 11023/3.0=51...(20) HA GLN 127 + HB3 GLU 128 OK 79 92 90 96 5.5-6.5 2.9/7814=35, 3.6/7852=33...(22) HA GLN 68 + HB2 GLN 68 OK 76 76 100 100 2.4-3.0 3.0=100 HA LEU 100 + HB3 GLU 102 OK 31 57 60 91 5.4-6.8 7445/3.8=41, 4.9/3207=39...(14) HB2 SER 124 + HB3 GLU 128 OK 25 60 75 56 4.6-7.2 3.0/3967=21...(6) HB3 SER 106 - HB3 GLU 102 poor 17 58 30 - 4.0-12.4 HB3 SER 107 - HB3 GLU 102 poor 17 56 30 - 3.5-14.6 HA LEU 100 - HB2 GLN 101 poor 10 48 20 - 5.7-6.6 HB2 SER 106 - HB2 GLN 101 far 8 50 15 - 5.2-12.9 HB3 SER 106 - HB2 GLN 101 far 7 48 15 - 5.1-13.5 HB3 SER 107 - HB2 GLN 68 far 5 97 5 - 5.1-15.7 HB2 SER 106 - HB3 GLU 102 lone 3 60 35 16 3.9-11.3 10105/11507=6...(5) HB3 SER 107 - HB2 GLN 101 far 2 47 5 - 5.8-13.6 HD3 PRO 117 - HB3 GLU 102 far 0 47 0 - 6.5-12.9 HB3 SER 106 - HB2 GLN 68 far 0 99 0 - 7.6-19.7 HA SER 50 - HB3 GLU 128 far 0 57 0 - 7.7-12.1 HA VAL 20 - HB3 GLU 102 far 0 44 0 - 7.9-40.6 HA3 GLY 17 - HB3 GLU 102 far 0 57 0 - 7.9-44.3 HA GLU 91 - HB3 GLU 128 far 0 87 0 - 8.0-12.2 HA2 GLY 17 - HB3 GLU 102 far 0 57 0 - 8.0-46.0 HA3 GLY 111 - HB3 GLU 102 far 0 36 0 - 8.6-19.5 HA2 GLY 17 - HB2 GLN 68 far 0 98 0 - 8.7-30.4 HB2 SER 106 - HB2 GLN 68 far 0 100 0 - 9.1-20.0 HB3 SER 94 - HB3 GLU 128 far 0 92 0 - 9.3-12.2 HA VAL 20 - HB2 GLN 68 far 0 83 0 - 9.3-25.0 HA GLN 68 - HB2 GLN 101 far 0 32 0 - 9.3-12.7 HB3 SER 94 - HB2 GLN 101 far 0 51 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 2131 from cnoeabs.peaks (7.86, 2.22, 28.25 ppm; 4.00 A): 4 out of 7 assignments used, quality = 1.00: * H GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.1-2.6 3.7=100 H GLU 128 + HB3 GLU 128 OK 69 69 100 100 2.1-3.5 3.6=100 H GLU 102 + HB3 GLU 102 OK 53 53 100 100 2.2-3.6 3.8=100 H GLU 102 + HB2 GLN 101 OK 44 44 100 100 3.6-4.2 7449/1.8=79, 4.7=64...(22) H ALA 88 - HB3 GLU 128 far 0 90 0 - 8.7-12.3 H GLN 68 - HB2 GLN 101 far 0 51 0 - 9.0-11.9 H ALA 41 - HB2 GLN 68 far 0 65 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 2132 from cnoeabs.peaks (3.99, 2.22, 28.25 ppm; 4.24 A): 5 out of 27 assignments used, quality = 1.00: * HA GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 65 + HB2 GLN 68 OK 74 76 100 98 2.7-4.3 2065=34, 11023/3.0=32...(19) HA GLN 127 + HB3 GLU 128 OK 52 62 90 94 5.5-6.5 2.9/7814=34, 3.6/7852=32...(21) HB2 SER 124 + HB3 GLU 128 OK 40 92 75 58 4.6-7.2 7780/10359=20...(6) HA LEU 103 + HB3 GLU 102 OK 38 39 100 98 4.1-5.4 3.0/7469=64, ~7468=33...(24) HB3 SER 106 - HB3 GLU 102 poor 15 51 30 - 4.0-12.4 HB2 SER 106 - HB3 GLU 102 poor 11 33 35 - 3.9-11.3 HB3 SER 106 - HB2 GLN 101 far 4 42 10 - 5.1-13.5 HB2 SER 106 - HB2 GLN 101 far 4 27 15 - 5.2-12.9 HA ILE 37 - HB2 GLN 68 far 3 65 5 - 5.4-12.1 HB3 SER 99 - HB3 GLU 102 far 0 54 0 - 6.0-7.8 HB3 SER 99 - HB2 GLN 101 far 0 45 0 - 6.8-8.9 HA LYS 95 - HB2 GLN 101 far 0 28 0 - 6.9-9.5 HB3 SER 106 - HB2 GLN 68 far 0 92 0 - 7.6-19.7 HA SER 50 - HB3 GLU 128 far 0 91 0 - 7.7-12.1 HA VAL 20 - HB3 GLU 102 far 0 60 0 - 7.9-40.6 HA LEU 103 - HB2 GLN 101 far 0 32 0 - 7.9-8.4 HA LYS 95 - HB3 GLU 102 far 0 34 0 - 7.9-10.8 HA GLU 91 - HB3 GLU 128 far 0 83 0 - 8.0-12.2 HB2 SER 38 - HB2 GLN 68 far 0 81 0 - 9.1-16.1 HB2 SER 106 - HB2 GLN 68 far 0 65 0 - 9.1-20.0 HB3 SER 94 - HB3 GLU 128 far 0 69 0 - 9.3-12.2 HA LYS 95 - HB3 GLU 128 far 0 57 0 - 9.3-11.6 HA VAL 20 - HB2 GLN 68 far 0 100 0 - 9.3-25.0 HA GLN 68 - HB2 GLN 101 far 0 51 0 - 9.3-12.7 HB3 SER 94 - HB2 GLN 101 far 0 35 0 - 9.4-11.7 HA SER 60 - HB2 GLN 68 far 0 90 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2133 from cnoeabs.peaks (2.22, 2.22, 28.25 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 68 + HB2 GLN 68 OK 100 100 - 100 HB3 GLU 128 + HB3 GLU 128 OK 90 90 - 100 HB3 GLU 102 + HB3 GLU 102 OK 56 56 - 100 HB2 GLN 101 + HB2 GLN 101 OK 44 44 - 100 Peak 2134 from cnoeabs.peaks (2.18, 2.22, 28.25 ppm; 2.72 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 68 + HB2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 69 - HB2 GLN 68 far 9 95 10 - 4.2-7.0 HB2 GLN 101 - HB3 GLU 102 far 0 31 0 - 5.1-7.1 HB2 GLN 104 - HB2 GLN 101 far 0 46 0 - 5.2-8.9 HB2 GLN 104 - HB3 GLU 102 far 0 55 0 - 6.7-9.6 HB2 GLN 104 - HB2 GLN 68 far 0 97 0 - 8.2-12.8 HB3 LEU 69 - HB3 GLU 128 far 0 83 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 2135 from cnoeabs.peaks (2.23, 2.22, 28.25 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLN 68 + HB2 GLN 68 OK 96 96 - 100 HB3 GLU 128 + HB3 GLU 128 OK 90 90 - 100 HB3 GLU 102 + HB3 GLU 102 OK 61 61 - 100 HB2 GLN 101 + HB2 GLN 101 OK 30 30 - 100 Reference assignment not found: HG2 GLN 68 - HB2 GLN 68 Peak 2136 from cnoeabs.peaks (2.32, 2.22, 28.25 ppm; 3.43 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 101 + HB2 GLN 101 OK 32 32 100 100 1.8-1.8 1.8=100 HG2 GLN 27 - HB2 GLN 101 far 1 24 5 - 4.5-27.3 HB3 GLN 101 - HB3 GLU 102 far 0 39 0 - 5.2-7.1 HG3 GLU 30 - HB2 GLN 68 far 0 99 0 - 5.2-16.8 HG2 GLN 27 - HB3 GLU 102 far 0 30 0 - 5.6-29.6 HG3 GLU 30 - HB2 GLN 101 far 0 48 0 - 8.3-24.0 HG2 GLU 44 - HB2 GLN 68 far 0 93 0 - 8.5-14.9 HG2 GLN 27 - HB2 GLN 68 far 0 60 0 - 9.3-16.1 Violated in 0 structures by 0.00 A. Peak 2137 from cnoeabs.peaks (6.86, 2.22, 28.25 ppm; 6.52 A): 1 out of 8 assignments used, quality = 1.00: * HE21 GLN 68 + HB2 GLN 68 OK 100 100 100 100 1.8-3.8 4.6=100 HE21 GLN 27 - HB3 GLU 102 far 3 58 5 - 7.7-30.2 HE21 GLN 27 - HB2 GLN 101 far 2 48 5 - 3.8-29.0 HD21 ASN 121 - HB3 GLU 102 far 2 45 5 - 7.7-13.3 HD21 ASN 121 - HB2 GLN 101 far 2 37 5 - 7.6-15.9 HE21 GLN 27 - HB2 GLN 68 far 0 99 0 - 9.1-18.7 HD21 ASN 121 - HB3 GLU 128 far 0 73 0 - 9.2-14.1 HE21 GLN 61 - HB2 GLN 68 far 0 78 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 2138 from cnoeabs.peaks (7.76, 2.22, 28.25 ppm; 4.64 A): 2 out of 7 assignments used, quality = 1.00: * HE22 GLN 68 + HB2 GLN 68 OK 100 100 100 100 3.3-4.9 4.6=100 H LEU 98 + HB2 GLN 101 OK 31 31 100 100 3.5-5.6 ~3157=54, ~3157=43...(20) H LEU 98 - HB3 GLU 102 poor 11 37 30 - 5.6-8.5 H VAL 118 - HB3 GLU 102 far 0 60 0 - 6.7-9.9 HD22 ASN 121 - HB3 GLU 102 far 0 44 0 - 6.9-11.6 HD22 ASN 121 - HB2 GLN 101 far 0 36 0 - 8.3-14.2 HD22 ASN 121 - HB3 GLU 128 far 0 71 0 - 9.1-13.6 Violated in 0 structures by 0.00 A. Peak 2139 from cnoeabs.peaks (8.30, 2.22, 28.25 ppm; 4.15 A): 3 out of 19 assignments used, quality = 1.00: * H LEU 69 + HB2 GLN 68 OK 100 100 100 100 2.4-4.0 4.4=82, 6893/3.7=57...(23) H VAL 126 + HB3 GLU 128 OK 69 89 85 92 4.8-7.0 3.6/3987=37, 3.5/7814=28...(15) H SER 99 + HB3 GLU 102 OK 40 58 70 97 5.1-7.3 2.9/3207=58, ~3332=44...(18) H ASP 131 - HB3 GLU 128 poor 16 52 30 - 5.2-5.9 H SER 99 - HB2 GLN 101 poor 10 49 20 - 4.9-6.9 H TYR 72 - HB2 GLN 68 far 0 76 0 - 6.2-6.9 H ALA 110 - HB3 GLU 102 far 0 61 0 - 6.3-16.8 H LEU 49 - HB2 GLN 68 far 0 100 0 - 6.7-11.0 H ALA 28 - HB2 GLN 101 far 0 26 0 - 7.2-24.0 H LEU 96 - HB3 GLU 128 far 0 62 0 - 7.3-8.8 H LEU 96 - HB2 GLN 101 far 0 31 0 - 7.4-9.6 H ALA 21 - HB3 GLU 102 far 0 57 0 - 8.2-42.0 H ALA 21 - HB2 GLN 68 far 0 98 0 - 8.3-26.3 H GLY 111 - HB3 GLU 102 far 0 60 0 - 8.3-17.3 H ALA 28 - HB2 GLN 68 far 0 63 0 - 8.3-16.6 H TYR 72 - HB2 GLN 101 far 0 32 0 - 9.3-12.6 H LEU 69 - HB2 GLN 101 far 0 51 0 - 9.4-12.3 H ALA 28 - HB3 GLU 102 far 0 31 0 - 9.6-26.7 H LEU 96 - HB3 GLU 102 far 0 37 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 2140 from cnoeabs.peaks (3.97, 2.18, 28.25 ppm; 4.48 A): 2 out of 8 assignments used, quality = 1.00: * HA THR 65 + HB3 GLN 68 OK 100 100 100 100 4.1-5.3 11023/3.0=55, 2066=52...(20) HA GLN 68 + HB3 GLN 68 OK 76 76 100 100 2.2-2.8 3.0=100 HB3 SER 107 - HB3 GLN 68 far 0 97 0 - 6.3-17.1 HA2 GLY 17 - HB3 GLN 68 far 0 98 0 - 7.6-29.2 HB3 SER 106 - HB3 GLN 68 far 0 99 0 - 8.1-21.0 HA VAL 20 - HB3 GLN 68 far 0 83 0 - 8.5-24.0 HA3 GLY 17 - HB3 GLN 68 far 0 98 0 - 9.1-27.6 HB2 SER 106 - HB3 GLN 68 far 0 100 0 - 9.6-21.3 Violated in 0 structures by 0.00 A. Peak 2141 from cnoeabs.peaks (7.86, 2.18, 28.25 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB3 GLN 68 OK 100 100 100 100 3.3-3.6 3.7=100 H ALA 41 - HB3 GLN 68 far 0 65 0 - 8.4-13.8 Violated in 0 structures by 0.00 A. Peak 2142 from cnoeabs.peaks (3.99, 2.18, 28.25 ppm; 4.42 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.2-2.8 3.0=100 HA THR 65 + HB3 GLN 68 OK 75 76 100 99 4.1-5.3 11023/3.0=35, 2066=33...(20) HA ILE 37 - HB3 GLN 68 far 10 65 15 - 4.3-10.4 HB2 SER 38 - HB3 GLN 68 far 0 81 0 - 7.4-14.8 HB3 SER 106 - HB3 GLN 68 far 0 92 0 - 8.1-21.0 HA VAL 20 - HB3 GLN 68 far 0 100 0 - 8.5-24.0 HB2 SER 106 - HB3 GLN 68 far 0 65 0 - 9.6-21.3 Violated in 0 structures by 0.00 A. Peak 2143 from cnoeabs.peaks (2.22, 2.18, 28.25 ppm; 2.74 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 68 + HB3 GLN 68 OK 93 96 100 97 2.4-3.0 3.0=76, 2151/3.0=29...(19) HB3 GLN 104 - HB3 GLN 68 far 0 100 0 - 9.2-14.6 HB2 GLN 104 - HB3 GLN 68 far 0 57 0 - 9.5-14.1 HB3 LEU 96 - HB3 GLN 68 far 0 89 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 2144 from cnoeabs.peaks (2.18, 2.18, 28.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 68 + HB3 GLN 68 OK 100 100 - 100 Peak 2145 from cnoeabs.peaks (2.23, 2.18, 28.25 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 68 + HB3 GLN 68 OK 96 96 100 100 1.8-1.8 1.8=100 HB3 GLN 104 - HB3 GLN 68 far 0 98 0 - 9.2-14.6 HB3 LEU 96 - HB3 GLN 68 far 0 100 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 2146 from cnoeabs.peaks (2.32, 2.18, 28.25 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 30 - HB3 GLN 68 far 0 99 0 - 6.1-16.3 HG2 GLU 44 - HB3 GLN 68 far 0 93 0 - 8.1-14.4 HG2 GLN 27 - HB3 GLN 68 far 0 60 0 - 8.9-16.5 Violated in 0 structures by 0.00 A. Peak 2147 from cnoeabs.peaks (6.86, 2.18, 28.25 ppm; 6.45 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.8-4.5 4.6=100 HE21 GLN 27 - HB3 GLN 68 far 0 99 0 - 8.8-18.9 Violated in 0 structures by 0.00 A. Peak 2148 from cnoeabs.peaks (7.76, 2.18, 28.25 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 68 + HB3 GLN 68 OK 100 100 100 100 3.2-5.0 4.6=100 Violated in 0 structures by 0.00 A. Peak 2149 from cnoeabs.peaks (8.30, 2.18, 28.25 ppm; 4.54 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 69 + HB3 GLN 68 OK 100 100 100 100 2.4-4.1 4.4=100 H TYR 72 + HB3 GLN 68 OK 59 76 80 98 5.3-6.2 ~6956=31, 2126/3.0=29...(23) H LEU 49 - HB3 GLN 68 far 0 100 0 - 7.5-10.8 H ALA 21 - HB3 GLN 68 far 0 98 0 - 7.9-25.3 H ALA 28 - HB3 GLN 68 far 0 63 0 - 8.4-16.7 H LEU 43 - HB3 GLN 68 far 0 97 0 - 9.1-12.7 H GLU 40 - HB3 GLN 68 far 0 87 0 - 9.9-16.3 H GLY 17 - HB3 GLN 68 far 0 81 0 - 9.9-28.8 Violated in 0 structures by 0.00 A. Peak 2150 from cnoeabs.peaks (7.86, 2.23, 33.86 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.4-3.6 6890/1.8=80, 2.9/2151=66...(19) H ALA 41 - HG2 GLN 68 far 0 65 0 - 9.0-14.2 Violated in 0 structures by 0.00 A. Peak 2151 from cnoeabs.peaks (3.99, 2.23, 33.86 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.0-3.9 3.7=87, 2123/1.8=72...(25) HA THR 65 + HG2 GLN 68 OK 57 76 80 94 2.3-5.8 3.2/9479=32, 2160/1.8=26...(19) HA ILE 37 - HG2 GLN 68 far 3 65 5 - 4.5-11.7 HB2 SER 38 - HG2 GLN 68 far 0 81 0 - 8.6-16.8 HA GLN 127 - HG2 GLN 68 far 0 73 0 - 9.3-14.9 HA SER 50 - HG2 GLN 68 far 0 100 0 - 9.5-16.2 HB3 SER 106 - HG2 GLN 68 far 0 92 0 - 9.8-19.9 HA SER 60 - HG2 GLN 68 far 0 90 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 2152 from cnoeabs.peaks (2.22, 2.23, 33.86 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: HG2 GLN 68 + HG2 GLN 68 OK 96 96 - 100 Reference assignment not found: HB2 GLN 68 - HG2 GLN 68 Peak 2153 from cnoeabs.peaks (2.18, 2.23, 33.86 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 69 + HG2 GLN 68 OK 61 95 65 99 2.9-7.0 9443/9479=46...(36) HB2 GLN 104 - HG2 GLN 68 far 0 97 0 - 8.6-13.7 Violated in 0 structures by 0.00 A. Peak 2154 from cnoeabs.peaks (2.23, 2.23, 33.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 68 + HG2 GLN 68 OK 100 100 - 100 Peak 2155 from cnoeabs.peaks (2.32, 2.23, 33.86 ppm; 2.55 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 30 - HG2 GLN 68 far 0 99 0 - 5.0-16.5 HG2 GLU 44 - HG2 GLN 68 far 0 93 0 - 8.0-15.3 Violated in 0 structures by 0.00 A. Peak 2156 from cnoeabs.peaks (6.86, 2.23, 33.86 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 61 - HG2 GLN 68 far 0 78 0 - 9.6-14.8 Violated in 0 structures by 0.00 A. Peak 2157 from cnoeabs.peaks (7.76, 2.23, 33.86 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 68 + HG2 GLN 68 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2158 from cnoeabs.peaks (8.30, 2.23, 33.86 ppm; 4.58 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 69 + HG2 GLN 68 OK 100 100 100 100 1.7-4.8 6922/1.8=76, 3.6/2151=72...(24) H TYR 72 + HG2 GLN 68 OK 29 76 40 95 5.4-7.0 4.5/9481=46...(17) H LEU 49 - HG2 GLN 68 far 5 100 5 - 5.8-13.2 H ALA 21 - HG2 GLN 68 far 0 98 0 - 8.6-26.3 H VAL 126 - HG2 GLN 68 far 0 99 0 - 8.7-15.2 H ALA 28 - HG2 GLN 68 far 0 63 0 - 9.0-16.7 H LEU 43 - HG2 GLN 68 far 0 97 0 - 9.1-13.5 Violated in 5 structures by 0.01 A. Peak 2159 from cnoeabs.peaks (7.86, 2.32, 33.86 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.2-4.4 6890=100, 2150/1.8=75...(15) H ALA 41 - HG3 GLN 68 far 0 65 0 - 8.0-14.2 Violated in 12 structures by 0.15 A. Peak 2160 from cnoeabs.peaks (3.99, 2.32, 33.86 ppm; 3.66 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.7-4.1 2123=100, 2151/1.8=75...(20) HA THR 65 + HG3 GLN 68 OK 61 76 85 95 2.1-5.5 3.2/11016=40...(15) HA ILE 37 - HG3 GLN 68 far 3 65 5 - 3.5-11.0 HB2 SER 38 - HG3 GLN 68 far 0 81 0 - 7.4-15.8 HA VAL 20 - HG3 GLN 68 far 0 100 0 - 9.2-23.9 HA SER 60 - HG3 GLN 68 far 0 90 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 2161 from cnoeabs.peaks (2.22, 2.32, 33.86 ppm; 2.80 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 68 + HG3 GLN 68 OK 98 100 100 98 2.2-3.0 3.0=82, 3.0/2123=33...(16) HG2 GLN 68 + HG3 GLN 68 OK 96 96 100 100 1.8-1.8 1.8=100 HB2 GLN 104 - HG3 GLN 68 far 0 57 0 - 8.1-14.8 HB3 GLN 104 - HG3 GLN 68 far 0 100 0 - 8.1-15.8 HB3 LEU 96 - HG3 GLN 68 far 0 89 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2162 from cnoeabs.peaks (2.18, 2.32, 33.86 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 69 + HG3 GLN 68 OK 45 95 50 95 3.3-6.9 9443/11016=31...(32) HB2 GLN 104 - HG3 GLN 68 far 0 97 0 - 8.1-14.8 Violated in 0 structures by 0.00 A. Peak 2163 from cnoeabs.peaks (2.23, 2.32, 33.86 ppm; 2.50 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 68 + HG3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 68 + HG3 GLN 68 OK 86 96 100 90 2.2-3.0 3.0=58, 3.0/2123=25...(15) HB3 GLN 104 - HG3 GLN 68 far 0 98 0 - 8.1-15.8 HB3 LEU 96 - HG3 GLN 68 far 0 100 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2164 from cnoeabs.peaks (2.32, 2.32, 33.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 68 + HG3 GLN 68 OK 100 100 - 100 Peak 2165 from cnoeabs.peaks (6.86, 2.32, 33.86 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.3-3.6 3.5=100 HE21 GLN 27 - HG3 GLN 68 far 0 99 0 - 9.0-19.9 Violated in 0 structures by 0.00 A. Peak 2166 from cnoeabs.peaks (7.76, 2.32, 33.86 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 68 + HG3 GLN 68 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2167 from cnoeabs.peaks (8.30, 2.32, 33.86 ppm; 5.22 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 69 + HG3 GLN 68 OK 100 100 100 100 2.3-4.9 6922=100, 3.6/2123=86...(21) H TYR 72 + HG3 GLN 68 OK 48 76 65 98 4.8-7.9 4.5/9482=60...(13) H LEU 49 - HG3 GLN 68 far 0 100 0 - 6.8-12.2 H ALA 21 - HG3 GLN 68 far 0 98 0 - 8.0-24.9 H ALA 28 - HG3 GLN 68 far 0 63 0 - 8.6-17.7 H LEU 43 - HG3 GLN 68 far 0 97 0 - 8.8-13.4 H GLY 17 - HG3 GLN 68 far 0 81 0 - 9.3-28.4 H VAL 126 - HG3 GLN 68 far 0 99 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 2168 from cnoeabs.peaks (8.30, 4.33, 58.25 ppm; 5.80 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 69 + HA LEU 69 OK 100 100 100 100 2.8-2.9 2.9=100 H TYR 72 + HA LEU 69 OK 76 76 100 100 3.2-3.8 3.8/2178=78...(28) H LEU 43 - HA LEU 69 far 5 97 5 - 7.2-8.8 H LEU 49 - HA LEU 69 far 0 100 0 - 7.4-10.3 H VAL 126 - HA LEU 69 far 0 99 0 - 7.8-11.2 H GLU 40 - HA LEU 69 far 0 87 0 - 9.2-13.1 H ASP 131 - HA LEU 69 far 0 63 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 2169 from cnoeabs.peaks (4.33, 4.33, 58.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 69 + HA LEU 69 OK 100 100 - 100 Peak 2170 from cnoeabs.peaks (1.67, 4.33, 58.25 ppm; 5.12 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 - HA LEU 69 poor 11 100 35 33 4.0-9.1 11125/11028=10...(7) HD3 LYS 36 - HA LEU 69 poor 10 100 30 34 3.7-10.4 11125/11028=10...(7) HD2 LYS 31 - HA LEU 69 far 0 99 0 - 6.8-16.3 HD3 LYS 31 - HA LEU 69 far 0 98 0 - 8.3-16.6 HG LEU 43 - HA LEU 69 far 0 68 0 - 8.3-10.5 HD3 LYS 26 - HA LEU 69 far 0 97 0 - 9.0-21.9 HD2 LYS 26 - HA LEU 69 far 0 98 0 - 9.8-22.4 HD3 LYS 24 - HA LEU 69 far 0 98 0 - 9.9-24.3 Violated in 0 structures by 0.00 A. Peak 2171 from cnoeabs.peaks (2.16, 4.33, 58.25 ppm; 6.08 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 69 + HA LEU 69 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLN 68 + HA LEU 69 OK 95 95 100 100 3.8-5.2 ~6922=60, ~2158=48...(28) HB VAL 133 - HA LEU 69 far 0 71 0 - 9.1-11.9 HB2 GLU 97 - HA LEU 69 far 0 65 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 2172 from cnoeabs.peaks (1.51, 4.33, 58.25 ppm; 6.05 A): 3 out of 3 assignments used, quality = 1.00: * HG LEU 69 + HA LEU 69 OK 100 100 100 100 3.1-4.1 3.7=100 HG LEU 42 + HA LEU 69 OK 63 63 100 100 4.1-7.1 2.1/9100=99, 2.1/9102=48...(18) HB2 LEU 49 + HA LEU 69 OK 30 89 35 98 6.7-9.2 ~11056=33, 2185/3.0=31...(18) Violated in 0 structures by 0.00 A. Peak 2173 from cnoeabs.peaks (1.01, 4.33, 58.25 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + HA LEU 69 OK 100 100 100 100 1.4-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 2174 from cnoeabs.peaks (0.87, 4.33, 58.25 ppm; 5.22 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 69 + HA LEU 69 OK 100 100 100 100 1.8-4.1 3.9=100 QD2 LEU 70 + HA LEU 69 OK 75 95 80 99 4.1-7.1 2269/4.9=66, 2268/3.6=62...(18) QG2 ILE 32 + HA LEU 69 OK 42 92 55 83 4.4-8.7 3.0/10827=60, ~11056=18...(12) QD2 LEU 123 - HA LEU 69 far 0 92 0 - 7.0-11.4 QG2 VAL 20 - HA LEU 69 far 0 78 0 - 9.0-21.9 Violated in 0 structures by 0.00 A. Peak 2175 from cnoeabs.peaks (8.46, 4.33, 58.25 ppm; 5.65 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 69 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 47 - HA LEU 69 far 5 99 5 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 2176 from cnoeabs.peaks (8.32, 4.33, 58.25 ppm; 5.46 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 72 + HA LEU 69 OK 100 100 100 100 3.2-3.8 6973=100, 6974/3.6=77...(28) H LEU 69 + HA LEU 69 OK 76 76 100 100 2.8-2.9 2.9=100 H GLU 44 - HA LEU 69 far 0 97 0 - 7.3-9.0 H LEU 49 - HA LEU 69 far 0 85 0 - 7.4-10.3 Violated in 0 structures by 0.00 A. Peak 2178 from cnoeabs.peaks (3.34, 4.33, 58.25 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HB3 TYR 72 + HA LEU 69 OK 100 100 100 100 2.5-5.2 3.8/6973=100...(27) HB3 CYS 73 + HA LEU 69 OK 84 85 100 100 4.1-7.3 2233/4.9=74...(19) HB2 HIS 67 + HA LEU 69 OK 70 100 70 100 7.4-8.6 9464/3.0=86, ~6916=78...(14) HA VAL 63 - HA LEU 69 far 0 68 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 2181 from cnoeabs.peaks (8.30, 1.67, 40.48 ppm; 5.75 A): 4 out of 7 assignments used, quality = 1.00: * H LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.1-3.6 3.7=100 H TYR 72 + HB2 LEU 69 OK 76 76 100 100 4.9-5.8 6973/3.0=65, 9522/3.2=54...(23) H LEU 49 + HB2 LEU 69 OK 56 100 65 87 5.8-9.3 5.0/11034=27...(11) H VAL 126 + HB2 LEU 69 OK 47 99 50 96 5.2-9.2 ~11052=57, ~11077=38...(17) H LEU 43 - HB2 LEU 69 far 5 97 5 - 7.0-10.5 H LEU 96 - HB2 LEU 69 far 0 73 0 - 8.1-11.0 H ASP 131 - HB2 LEU 69 far 0 63 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (4.33, 1.67, 40.48 ppm; 6.67 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HA ASP 47 - HB2 LEU 69 far 14 96 15 - 7.5-10.9 HA CYS 125 - HB2 LEU 69 far 0 73 0 - 8.4-11.5 HA TYR 76 - HB2 LEU 69 far 0 85 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 2183 from cnoeabs.peaks (1.67, 1.67, 40.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 69 + HB2 LEU 69 OK 100 100 - 100 Peak 2184 from cnoeabs.peaks (2.16, 1.67, 40.48 ppm; 5.60 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 69 + HB2 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 68 + HB2 LEU 69 OK 94 95 100 100 4.9-7.1 3.0/11022=53...(27) HB2 GLU 97 - HB2 LEU 69 far 0 65 0 - 7.9-11.8 HB VAL 133 - HB2 LEU 69 far 0 71 0 - 8.4-13.1 HB2 GLN 104 - HB2 LEU 69 far 0 73 0 - 9.0-13.9 Violated in 0 structures by 0.00 A. Peak 2185 from cnoeabs.peaks (1.51, 1.67, 40.48 ppm; 5.14 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 49 + HB2 LEU 69 OK 79 89 90 100 4.4-7.9 ~11049=48, ~11048=47...(30) HG LEU 42 + HB2 LEU 69 OK 41 63 65 100 3.7-9.0 ~11039=61, ~11066=60...(36) HB2 LEU 53 - HB2 LEU 69 far 0 99 0 - 8.2-14.1 Violated in 0 structures by 0.00 A. Peak 2186 from cnoeabs.peaks (1.01, 1.67, 40.48 ppm; 5.57 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.0-3.2 3.2=100 QG2 VAL 118 - HB2 LEU 69 far 0 100 0 - 9.2-15.4 Violated in 0 structures by 0.00 A. Peak 2187 from cnoeabs.peaks (0.87, 1.67, 40.48 ppm; 6.40 A): 4 out of 6 assignments used, quality = 1.00: * QD2 LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.0-3.2 3.0=100 QD2 LEU 70 + HB2 LEU 69 OK 94 95 100 100 2.1-6.6 11115/11493=88...(25) QG2 ILE 32 + HB2 LEU 69 OK 50 92 60 90 6.1-9.8 ~10827=65, 2174/3.0=17...(11) QD2 LEU 123 + HB2 LEU 69 OK 38 92 90 46 5.0-9.2 11422/11034=12...(11) QG2 VAL 20 - HB2 LEU 69 far 0 78 0 - 8.3-23.3 QD2 LEU 98 - HB2 LEU 69 far 0 99 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 2188 from cnoeabs.peaks (8.46, 1.67, 40.48 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 69 OK 100 100 100 100 2.3-3.9 4.4=100 H ASP 47 + HB2 LEU 69 OK 83 99 85 98 5.5-9.2 3.7/9183=57, 2222/3.0=49...(11) H LEU 100 - HB2 LEU 69 far 0 78 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 2189 from cnoeabs.peaks (3.63, 2.16, 40.48 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + HB3 LEU 69 OK 100 100 100 100 2.4-6.0 11058/3.2=64...(23) HA3 GLY 66 + HB3 LEU 69 OK 100 100 100 100 4.1-6.9 ~11058=56, ~11053=49...(22) Violated in 0 structures by 0.00 A. Peak 2190 from cnoeabs.peaks (3.63, 2.16, 40.48 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + HB3 LEU 69 OK 100 100 100 100 4.1-6.9 ~11058=56, ~11053=49...(22) HA2 GLY 66 + HB3 LEU 69 OK 100 100 100 100 2.4-6.0 11058/3.2=66...(23) Violated in 0 structures by 0.00 A. Peak 2191 from cnoeabs.peaks (8.30, 2.16, 40.48 ppm; 5.88 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.0-3.6 3.7=100 H LEU 49 + HB3 LEU 69 OK 85 100 90 95 4.9-8.4 11703/9443=67...(14) H TYR 72 + HB3 LEU 69 OK 76 76 100 100 4.9-5.9 6973/3.0=65, 9522/3.2=56...(27) H VAL 126 - HB3 LEU 69 far 15 99 15 - 5.4-10.3 H LEU 43 - HB3 LEU 69 far 10 97 10 - 7.1-10.0 H ASP 131 - HB3 LEU 69 far 0 63 0 - 8.7-11.3 H ALA 28 - HB3 LEU 69 far 0 63 0 - 9.2-16.7 H LEU 96 - HB3 LEU 69 far 0 73 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 2192 from cnoeabs.peaks (4.33, 2.16, 40.48 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.2-2.9 3.0=100 HA ASP 47 + HB3 LEU 69 OK 37 96 40 98 7.0-10.5 2.9/2198=39, 2216/3.0=37...(12) HA CYS 125 - HB3 LEU 69 far 4 73 5 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 2193 from cnoeabs.peaks (1.67, 2.16, 40.48 ppm; 5.14 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 36 - HB3 LEU 69 far 15 100 15 - 5.7-12.2 HD2 LYS 36 - HB3 LEU 69 far 10 100 10 - 5.4-11.3 HD2 LYS 31 - HB3 LEU 69 far 5 99 5 - 6.5-18.5 HD3 LYS 31 - HB3 LEU 69 far 0 98 0 - 8.0-17.2 HG LEU 43 - HB3 LEU 69 far 0 68 0 - 8.2-11.5 HD3 LYS 26 - HB3 LEU 69 far 0 97 0 - 8.5-23.2 HB2 LEU 123 - HB3 LEU 69 far 0 85 0 - 8.6-13.7 HG LEU 62 - HB3 LEU 69 far 0 81 0 - 9.5-12.2 HD3 LYS 24 - HB3 LEU 69 far 0 98 0 - 9.7-23.2 HD2 LYS 26 - HB3 LEU 69 far 0 98 0 - 9.8-23.6 Violated in 0 structures by 0.00 A. Peak 2194 from cnoeabs.peaks (2.16, 2.16, 40.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + HB3 LEU 69 OK 100 100 - 100 Peak 2195 from cnoeabs.peaks (1.51, 2.16, 40.48 ppm; 6.26 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LEU 49 + HB3 LEU 69 OK 89 89 100 100 4.2-7.2 ~11049=69, ~11048=65...(30) HG LEU 42 + HB3 LEU 69 OK 56 63 90 100 4.8-8.2 ~11039=83, ~11066=82...(40) HB2 LEU 53 - HB3 LEU 69 far 0 99 0 - 8.5-14.2 Violated in 0 structures by 0.00 A. Peak 2196 from cnoeabs.peaks (1.01, 2.16, 40.48 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.1-3.2 3.2=100 QG2 VAL 118 - HB3 LEU 69 far 0 100 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 2197 from cnoeabs.peaks (0.87, 2.16, 40.48 ppm; 4.87 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 1.9-3.0 3.0=100 QD2 LEU 70 + HB3 LEU 69 OK 65 95 70 98 2.7-7.7 2268/4.4=48, 2187/1.8=34...(25) QG2 ILE 32 - HB3 LEU 69 poor 19 92 30 68 5.0-9.4 ~10827=38, 3.0/11035=13...(10) QD2 LEU 123 - HB3 LEU 69 poor 18 92 45 43 5.0-9.8 11510/9443=28...(5) QG2 VAL 20 - HB3 LEU 69 far 0 78 0 - 7.3-22.7 Violated in 0 structures by 0.00 A. Peak 2198 from cnoeabs.peaks (8.46, 2.16, 40.48 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 69 OK 100 100 100 100 2.8-4.3 4.4=100 H ASP 47 + HB3 LEU 69 OK 93 99 95 100 5.3-8.5 6547/9149=74...(15) H LEU 100 - HB3 LEU 69 far 0 78 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (8.30, 1.51, 27.00 ppm; 5.41 A): 4 out of 8 assignments used, quality = 1.00: * H LEU 69 + HG LEU 69 OK 100 100 100 100 2.2-4.6 5.2=100 H TYR 72 + HG LEU 69 OK 72 76 95 100 4.8-7.2 6973/3.7=60, 9522/2.1=58...(23) H VAL 126 + HG LEU 69 OK 72 99 75 97 5.0-8.7 ~11052=62...(14) H LEU 49 + HG LEU 69 OK 38 100 45 85 5.1-8.7 5.0/11036=38...(12) H LEU 43 - HG LEU 69 poor 19 97 20 - 6.5-9.8 H ASP 131 - HG LEU 69 far 0 63 0 - 7.4-11.1 H LEU 96 - HG LEU 69 far 0 73 0 - 8.1-11.6 H ALA 28 - HG LEU 69 far 0 63 0 - 9.8-18.4 Violated in 0 structures by 0.00 A. Peak 2200 from cnoeabs.peaks (4.33, 1.51, 27.00 ppm; 5.63 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 69 + HG LEU 69 OK 100 100 100 100 3.1-4.1 3.7=100 HA ASP 47 - HG LEU 69 poor 19 96 20 - 6.5-9.6 HA CYS 125 - HG LEU 69 far 0 73 0 - 8.3-11.6 HA TYR 76 - HG LEU 69 far 0 85 0 - 9.6-13.0 HA ASP 131 - HG LEU 69 far 0 76 0 - 9.7-13.2 HA2 GLY 75 - HG LEU 69 far 0 95 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 2201 from cnoeabs.peaks (1.67, 1.51, 27.00 ppm; 3.59 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HG LEU 69 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 36 - HG LEU 69 far 0 100 0 - 6.4-12.5 HD3 LYS 36 - HG LEU 69 far 0 100 0 - 7.1-13.0 HG LEU 43 - HG LEU 69 far 0 68 0 - 7.6-11.8 HB2 LEU 123 - HG LEU 69 far 0 85 0 - 7.7-11.7 HD2 LYS 31 - HG LEU 69 far 0 99 0 - 8.9-19.5 HG LEU 62 - HG LEU 69 far 0 81 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 2202 from cnoeabs.peaks (2.16, 1.51, 27.00 ppm; 6.51 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 69 + HG LEU 69 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLN 68 + HG LEU 69 OK 94 95 100 100 4.6-8.0 4.4/6928=59, ~11022=45...(22) HB VAL 133 - HG LEU 69 far 4 71 5 - 8.0-12.7 HB2 GLU 97 - HG LEU 69 far 0 65 0 - 8.3-12.9 HB2 GLN 104 - HG LEU 69 far 0 73 0 - 9.1-16.4 Violated in 0 structures by 0.00 A. Peak 2203 from cnoeabs.peaks (1.51, 1.51, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 69 + HG LEU 69 OK 100 100 - 100 Peak 2204 from cnoeabs.peaks (1.01, 1.51, 27.00 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + HG LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 118 - HG LEU 69 far 0 100 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 2205 from cnoeabs.peaks (0.87, 1.51, 27.00 ppm; 3.83 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 69 + HG LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 69 OK 41 95 50 86 1.6-7.9 4.9/6943=29, 2213/2.1=22...(21) QD2 LEU 123 - HG LEU 69 poor 6 92 25 25 4.0-9.2 11422/11036=10...(7) QG2 ILE 32 - HG LEU 69 far 0 92 0 - 6.9-9.9 QG2 VAL 20 - HG LEU 69 far 0 78 0 - 8.2-23.2 QD2 LEU 98 - HG LEU 69 far 0 99 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 2206 from cnoeabs.peaks (8.46, 1.51, 27.00 ppm; 6.78 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + HG LEU 69 OK 100 100 100 100 1.9-5.2 6943=100, 6941/2.9=100...(25) H ASP 47 + HG LEU 69 OK 98 99 100 99 4.7-8.3 3.7/9182=61, 2222/2.1=49...(14) H LEU 100 - HG LEU 69 far 0 78 0 - 8.5-12.6 H VAL 132 - HG LEU 69 far 0 99 0 - 8.7-12.3 Violated in 0 structures by 0.00 A. Peak 2207 from cnoeabs.peaks (8.30, 1.01, 23.30 ppm; 3.97 A): 4 out of 11 assignments used, quality = 1.00: * H LEU 69 + QD1 LEU 69 OK 99 100 100 99 2.9-4.3 4.3=79, 2.9/2208=67...(19) H TYR 72 + QD1 LEU 69 OK 75 76 100 99 4.0-5.0 6973/2208=41...(23) H LEU 43 + QD1 LEU 69 OK 32 97 35 95 4.2-9.1 6504/11039=45...(17) H VAL 126 + QD1 LEU 69 OK 31 99 35 91 4.2-7.4 3.7/11069=44, ~11052=33...(18) H LEU 49 - QD1 LEU 69 far 10 100 10 - 4.7-7.8 H ASP 131 - QD1 LEU 69 far 0 63 0 - 5.7-9.2 H LEU 96 - QD1 LEU 69 far 0 73 0 - 5.9-10.8 H GLU 40 - QD1 LEU 69 far 0 87 0 - 6.9-12.0 H SER 99 - QD1 LEU 69 far 0 99 0 - 7.3-12.9 H ALA 28 - QD1 LEU 69 far 0 63 0 - 7.7-14.8 H GLY 17 - QD1 LEU 69 far 0 81 0 - 9.6-27.9 Violated in 0 structures by 0.00 A. Peak 2208 from cnoeabs.peaks (4.33, 1.01, 23.30 ppm; 3.60 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 69 + QD1 LEU 69 OK 100 100 100 100 1.4-3.8 2173=90, 9100/11066=38...(25) HA ASP 47 - QD1 LEU 69 far 0 96 0 - 5.8-9.2 HA CYS 125 - QD1 LEU 69 far 0 73 0 - 6.5-9.5 HA TYR 76 - QD1 LEU 69 far 0 85 0 - 7.1-9.9 HA ASP 131 - QD1 LEU 69 far 0 76 0 - 7.4-11.4 HA2 GLY 75 - QD1 LEU 69 far 0 95 0 - 8.0-9.5 HA GLN 134 - QD1 LEU 69 far 0 78 0 - 8.4-12.6 Violated in 1 structures by 0.01 A. Peak 2209 from cnoeabs.peaks (1.67, 1.01, 23.30 ppm; 3.81 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.0-3.2 3.2=100 HD2 LYS 36 - QD1 LEU 69 far 10 100 10 - 3.4-11.0 HD3 LYS 36 - QD1 LEU 69 far 10 100 10 - 4.4-11.9 HG LEU 43 - QD1 LEU 69 far 3 68 5 - 5.3-10.1 HB2 LEU 123 - QD1 LEU 69 far 0 85 0 - 6.3-10.2 HD3 LYS 26 - QD1 LEU 69 far 0 97 0 - 7.4-18.9 HD2 LYS 31 - QD1 LEU 69 far 0 99 0 - 7.9-15.6 HD3 LYS 31 - QD1 LEU 69 far 0 98 0 - 8.4-16.2 HG LEU 62 - QD1 LEU 69 far 0 81 0 - 8.6-11.6 HD2 LYS 26 - QD1 LEU 69 far 0 98 0 - 8.6-17.7 HD2 LYS 39 - QD1 LEU 69 far 0 98 0 - 8.7-13.7 QB ALA 88 - QD1 LEU 69 far 0 99 0 - 8.8-11.7 HD3 LYS 95 - QD1 LEU 69 far 0 97 0 - 9.0-14.5 HB2 LEU 98 - QD1 LEU 69 far 0 89 0 - 9.7-15.8 Violated in 0 structures by 0.00 A. Peak 2210 from cnoeabs.peaks (2.16, 1.01, 23.30 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.1-3.2 3.2=100 HB3 GLN 68 - QD1 LEU 69 far 14 95 15 - 3.9-7.4 HB2 GLU 97 - QD1 LEU 69 far 0 65 0 - 5.9-11.2 HB VAL 133 - QD1 LEU 69 far 0 71 0 - 6.0-9.8 HB2 GLN 104 - QD1 LEU 69 far 0 73 0 - 7.4-13.8 Violated in 0 structures by 0.00 A. Peak 2211 from cnoeabs.peaks (1.51, 1.01, 23.30 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 42 + QD1 LEU 69 OK 52 63 85 98 1.8-6.8 2.1/11039=63...(33) HB2 LEU 49 - QD1 LEU 69 far 9 89 10 - 4.1-7.1 HB2 LEU 53 - QD1 LEU 69 far 0 99 0 - 7.7-12.4 Violated in 0 structures by 0.00 A. Peak 2212 from cnoeabs.peaks (1.01, 1.01, 23.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + QD1 LEU 69 OK 100 100 - 100 Peak 2213 from cnoeabs.peaks (0.87, 1.01, 23.30 ppm; 2.84 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 70 + QD1 LEU 69 OK 32 95 55 62 1.6-7.2 2269/11057=14...(13) QD2 LEU 123 - QD1 LEU 69 far 0 92 0 - 4.4-7.4 QG2 ILE 32 - QD1 LEU 69 far 0 92 0 - 4.6-9.3 QD2 LEU 98 - QD1 LEU 69 far 0 99 0 - 7.0-11.5 QG2 VAL 20 - QD1 LEU 69 far 0 78 0 - 8.0-20.4 QD1 LEU 98 - QD1 LEU 69 far 0 99 0 - 8.9-13.3 QG2 VAL 57 - QD1 LEU 69 far 0 99 0 - 9.0-11.6 QD2 LEU 22 - QD1 LEU 69 far 0 63 0 - 10.0-20.0 Violated in 0 structures by 0.00 A. Peak 2214 from cnoeabs.peaks (8.46, 1.01, 23.30 ppm; 5.05 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 69 OK 100 100 100 100 2.1-4.5 6944=100, 6941/3.2=86...(26) H ASP 47 + QD1 LEU 69 OK 89 99 90 100 4.7-8.0 3.7/11046=83...(18) H LEU 100 - QD1 LEU 69 far 4 78 5 - 5.9-11.4 H VAL 132 - QD1 LEU 69 far 0 99 0 - 6.8-10.1 Violated in 0 structures by 0.00 A. Peak 2215 from cnoeabs.peaks (8.30, 0.87, 28.07 ppm; 4.55 A): 5 out of 10 assignments used, quality = 1.00: * H LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.2-4.2 4.9=79, ~2208=51...(21) H LEU 49 + QD2 LEU 69 OK 71 100 75 95 3.0-7.1 11703/11044=48...(13) H TYR 72 + QD2 LEU 69 OK 57 76 75 99 3.5-6.3 6973/3.9=48, 9522/2.1=44...(25) H VAL 126 + QD2 LEU 69 OK 55 99 60 93 4.4-8.0 2.9/11052=69...(18) H LEU 43 + QD2 LEU 69 OK 49 97 55 92 4.5-8.4 6504/11042=50...(16) H ASP 131 - QD2 LEU 69 far 9 63 15 - 5.3-9.0 H LEU 96 - QD2 LEU 69 far 0 73 0 - 6.8-10.0 H ALA 28 - QD2 LEU 69 far 0 63 0 - 7.8-14.4 H GLU 40 - QD2 LEU 69 far 0 87 0 - 7.9-12.3 H SER 99 - QD2 LEU 69 far 0 99 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 2216 from cnoeabs.peaks (4.33, 0.87, 28.07 ppm; 5.31 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 69 + QD2 LEU 69 OK 100 100 100 100 1.8-4.1 3.9=100 HA ASP 47 + QD2 LEU 69 OK 64 96 70 96 5.1-7.5 2.9/2222=41...(17) HA ASP 131 - QD2 LEU 69 far 0 76 0 - 7.0-10.8 HA CYS 125 - QD2 LEU 69 far 0 73 0 - 7.0-9.9 HA TYR 76 - QD2 LEU 69 far 0 85 0 - 7.4-11.5 HA2 GLY 75 - QD2 LEU 69 far 0 95 0 - 7.5-11.2 HA GLN 134 - QD2 LEU 69 far 0 78 0 - 8.3-12.7 HA ASN 59 - QD2 LEU 69 far 0 100 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 2217 from cnoeabs.peaks (1.67, 0.87, 28.07 ppm; 3.75 A): 1 out of 16 assignments used, quality = 1.00: * HB2 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.0-3.2 3.0=100 HB2 LEU 123 - QD2 LEU 69 far 0 85 0 - 5.5-10.8 HD2 LYS 36 - QD2 LEU 69 far 0 100 0 - 5.7-11.5 HG LEU 43 - QD2 LEU 69 far 0 68 0 - 6.0-9.2 HD3 LYS 36 - QD2 LEU 69 far 0 100 0 - 6.2-11.8 HD2 LYS 31 - QD2 LEU 69 far 0 99 0 - 6.8-15.7 HG LEU 62 - QD2 LEU 69 far 0 81 0 - 7.1-12.1 HD3 LYS 26 - QD2 LEU 69 far 0 97 0 - 7.7-19.4 HD2 LYS 26 - QD2 LEU 69 far 0 98 0 - 7.9-19.7 HD3 LYS 31 - QD2 LEU 69 far 0 98 0 - 8.1-14.7 QB ALA 88 - QD2 LEU 69 far 0 99 0 - 8.7-12.4 HD3 LYS 24 - QD2 LEU 69 far 0 98 0 - 8.8-20.1 HD2 LYS 95 - QD2 LEU 69 far 0 92 0 - 8.9-15.0 HD2 LYS 39 - QD2 LEU 69 far 0 98 0 - 9.1-14.4 HD3 LYS 95 - QD2 LEU 69 far 0 97 0 - 9.6-14.3 HD2 LYS 24 - QD2 LEU 69 far 0 99 0 - 10.0-21.0 Violated in 0 structures by 0.00 A. Peak 2218 from cnoeabs.peaks (2.16, 0.87, 28.07 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 69 + QD2 LEU 69 OK 100 100 100 100 1.9-3.0 3.0=100 HB3 GLN 68 + QD2 LEU 69 OK 37 95 40 97 4.2-7.2 11048=27, 4.4/6930=25...(28) HB VAL 133 - QD2 LEU 69 far 0 71 0 - 5.9-11.1 HB2 GLU 97 - QD2 LEU 69 far 0 65 0 - 7.3-10.9 HB2 GLN 104 - QD2 LEU 69 far 0 73 0 - 7.8-14.4 Violated in 0 structures by 0.00 A. Peak 2219 from cnoeabs.peaks (1.51, 0.87, 28.07 ppm; 3.69 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 49 + QD2 LEU 69 OK 60 89 70 97 2.4-7.4 3.2/11061=44...(28) HG LEU 42 + QD2 LEU 69 OK 44 63 70 100 1.8-8.6 2.1/11042=53, ~11039=43...(34) HB2 LEU 53 - QD2 LEU 69 far 0 99 0 - 6.0-13.0 Violated in 0 structures by 0.00 A. Peak 2220 from cnoeabs.peaks (1.01, 0.87, 28.07 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 118 - QD2 LEU 69 far 0 100 0 - 7.3-12.6 Violated in 0 structures by 0.00 A. Peak 2221 from cnoeabs.peaks (0.87, 0.87, 28.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 69 + QD2 LEU 69 OK 100 100 - 100 Peak 2222 from cnoeabs.peaks (8.46, 0.87, 28.07 ppm; 6.40 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 69 OK 100 100 100 100 3.5-4.7 6941/3.0=100...(22) H ASP 47 + QD2 LEU 69 OK 99 99 100 100 4.1-6.0 3.7/11060=95...(16) H VAL 132 - QD2 LEU 69 far 15 99 15 - 6.9-10.7 H LEU 100 - QD2 LEU 69 far 8 78 10 - 7.1-10.9 Violated in 0 structures by 0.00 A. Peak 2223 from cnoeabs.peaks (8.46, 3.88, 58.34 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 100 100 2.7-2.8 2.9=100 H LEU 100 - HA LEU 70 far 0 78 0 - 7.5-8.7 H ASP 47 - HA LEU 70 far 0 99 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 2224 from cnoeabs.peaks (3.88, 3.88, 58.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HA LEU 70 OK 100 100 - 100 Peak 2225 from cnoeabs.peaks (1.71, 3.88, 58.34 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 98 - HA LEU 70 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 2226 from cnoeabs.peaks (1.71, 3.88, 58.34 ppm; 4.30 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 98 - HA LEU 70 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 2227 from cnoeabs.peaks (1.61, 3.88, 58.34 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 70 + HA LEU 70 OK 100 100 100 100 2.3-3.9 3.7=100 HB2 LEU 122 - HA LEU 70 far 0 100 0 - 6.3-10.2 HG LEU 122 - HA LEU 70 far 0 99 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 2228 from cnoeabs.peaks (0.82, 3.88, 58.34 ppm; 3.77 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 70 + HA LEU 70 OK 100 100 100 100 1.9-3.9 2261=100, 2.1/2269=84...(21) QG2 ILE 129 + HA LEU 70 OK 31 100 35 87 4.9-6.5 4163/11709=45...(15) QD2 LEU 49 - HA LEU 70 far 12 78 15 - 5.1-7.5 QD1 LEU 122 - HA LEU 70 far 10 96 10 - 4.4-8.4 QD1 LEU 53 - HA LEU 70 far 0 71 0 - 7.1-13.0 QG1 VAL 133 - HA LEU 70 far 0 87 0 - 7.5-9.0 QG2 ILE 80 - HA LEU 70 far 0 100 0 - 8.8-13.0 Violated in 2 structures by 0.00 A. Peak 2229 from cnoeabs.peaks (0.86, 3.88, 58.34 ppm; 3.62 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 1.8-3.9 2269=100, 2.1/2261=66...(20) QD2 LEU 69 + HA LEU 70 OK 64 95 70 97 3.3-5.8 11054=34, 2.1/11057=32...(24) QG2 ILE 32 - HA LEU 70 far 0 100 0 - 6.0-11.9 QD2 LEU 123 - HA LEU 70 far 0 63 0 - 6.8-10.2 QD2 LEU 98 - HA LEU 70 far 0 83 0 - 7.1-9.2 QG1 VAL 133 - HA LEU 70 far 0 83 0 - 7.5-9.0 QD1 LEU 98 - HA LEU 70 far 0 99 0 - 9.6-11.1 Violated in 2 structures by 0.01 A. Peak 2230 from cnoeabs.peaks (8.14, 3.88, 58.34 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HA LEU 70 OK 100 100 100 100 3.4-3.6 3.6=100 H ILE 32 - HA LEU 70 far 0 100 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 2231 from cnoeabs.peaks (8.85, 3.88, 58.34 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HA LEU 70 OK 100 100 100 100 3.0-3.9 6989=100, 3.8/2233=68...(25) Violated in 0 structures by 0.00 A. Peak 2232 from cnoeabs.peaks (2.75, 3.88, 58.34 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 73 + HA LEU 70 OK 100 100 100 100 1.9-5.0 1.8/2233=93...(21) HB2 CYS 125 - HA LEU 70 far 5 96 5 - 5.8-9.1 HB2 TYR 76 - HA LEU 70 far 0 97 0 - 7.2-10.1 Violated in 3 structures by 0.01 A. Peak 2233 from cnoeabs.peaks (3.32, 3.88, 58.34 ppm; 4.59 A): 2 out of 3 assignments used, quality = 1.00: * HB3 CYS 73 + HA LEU 70 OK 100 100 100 100 2.5-5.0 1.8/2232=82, 2330=69...(21) HB3 TYR 72 + HA LEU 70 OK 43 85 55 92 4.9-7.4 4.4/6989=48, 2178/4.9=35...(14) HB2 HIS 67 - HA LEU 70 far 0 81 0 - 7.3-8.3 Violated in 2 structures by 0.02 A. Peak 2234 from cnoeabs.peaks (4.22, 1.71, 41.52 ppm; 4.83 A): 2 out of 16 assignments used, quality = 1.00: * HA HIS 67 + HB2 LEU 70 OK 100 100 100 100 2.2-4.9 9462/3.2=82...(26) HA HIS 67 + HB3 LEU 70 OK 100 100 100 100 2.1-4.9 9462/3.2=82...(26) HA SER 94 - HB2 LEU 70 far 5 92 5 - 6.3-10.3 HA ALA 29 - HB3 LEU 70 far 0 96 0 - 6.8-14.2 HA SER 94 - HB3 LEU 70 far 0 91 0 - 6.9-9.9 HA GLU 30 - HB2 LEU 70 far 0 99 0 - 6.9-16.3 HA ALA 34 - HB3 LEU 70 far 0 98 0 - 7.6-15.9 HA GLU 30 - HB3 LEU 70 far 0 98 0 - 7.7-17.9 HA ALA 29 - HB2 LEU 70 far 0 97 0 - 8.2-15.2 HA ALA 34 - HB2 LEU 70 far 0 99 0 - 8.3-16.0 HA GLN 27 - HB3 LEU 70 far 0 67 0 - 8.7-19.8 HA GLN 27 - HB2 LEU 70 far 0 68 0 - 9.0-21.2 HA SER 99 - HB2 LEU 70 far 0 100 0 - 9.1-11.8 HA VAL 105 - HB3 LEU 70 far 0 64 0 - 9.8-14.8 HA SER 99 - HB3 LEU 70 far 0 100 0 - 9.8-11.2 HA ALA 28 - HB3 LEU 70 far 0 82 0 - 9.8-18.6 Violated in 0 structures by 0.00 A. Peak 2235 from cnoeabs.peaks (8.46, 1.71, 41.52 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.6 3.2=100 H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.1-3.6 3.2=100 H LEU 100 - HB2 LEU 70 far 4 78 5 - 5.6-8.2 H LEU 100 - HB3 LEU 70 far 0 77 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 2236 from cnoeabs.peaks (3.88, 1.71, 41.52 ppm; 4.75 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 46 - HB2 LEU 70 far 0 93 0 - 6.7-10.8 HA ALA 46 - HB3 LEU 70 far 0 92 0 - 7.4-10.9 HA3 GLY 75 - HB2 LEU 70 far 0 78 0 - 8.3-11.5 HB2 SER 94 - HB2 LEU 70 far 0 81 0 - 8.6-12.3 HB3 SER 33 - HB2 LEU 70 far 0 57 0 - 8.7-17.4 HA3 GLY 75 - HB3 LEU 70 far 0 77 0 - 8.8-11.5 HB2 SER 94 - HB3 LEU 70 far 0 80 0 - 8.9-12.1 HB3 SER 33 - HB3 LEU 70 far 0 56 0 - 8.9-17.6 Violated in 0 structures by 0.00 A. Peak 2237 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 Peak 2238 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 Reference assignment not found: HB3 LEU 70 - HB2 LEU 70 Peak 2239 from cnoeabs.peaks (1.61, 1.71, 41.52 ppm; 4.18 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 122 - HB2 LEU 70 far 10 100 10 - 4.3-9.8 HG LEU 122 - HB2 LEU 70 far 10 99 10 - 5.4-9.6 HB2 LEU 122 - HB3 LEU 70 far 5 100 5 - 5.0-10.0 HG LEU 122 - HB3 LEU 70 far 0 98 0 - 5.9-9.6 Violated in 0 structures by 0.00 A. Peak 2240 from cnoeabs.peaks (0.82, 1.71, 41.52 ppm; 4.14 A): 3 out of 13 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 LEU 122 + HB2 LEU 70 OK 27 96 30 94 3.9-8.2 2273/3.2=16, ~2272=13...(51) QD1 LEU 122 - HB3 LEU 70 poor 19 95 20 - 4.2-8.3 QD2 LEU 49 - HB3 LEU 70 far 8 77 10 - 5.2-8.2 QD2 LEU 49 - HB2 LEU 70 poor 7 78 30 29 4.5-8.5 11250/3.2=21...(5) QD1 LEU 53 - HB2 LEU 70 far 0 71 0 - 6.0-14.3 QG2 ILE 129 - HB3 LEU 70 far 0 100 0 - 6.3-8.9 QG2 ILE 129 - HB2 LEU 70 far 0 100 0 - 6.3-8.9 QD1 LEU 53 - HB3 LEU 70 far 0 70 0 - 6.8-14.4 QG1 VAL 133 - HB2 LEU 70 far 0 87 0 - 9.1-11.3 QD2 LEU 119 - HB2 LEU 70 far 0 87 0 - 9.2-12.9 QG1 VAL 133 - HB3 LEU 70 far 0 86 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2241 from cnoeabs.peaks (0.86, 1.71, 41.52 ppm; 4.00 A): 4 out of 14 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 QD2 LEU 69 + HB2 LEU 70 OK 32 95 35 98 4.6-7.2 ~6943=29, ~6944=28...(30) QD2 LEU 69 + HB3 LEU 70 OK 23 94 25 98 5.2-7.0 ~6943=29, ~6944=28...(29) QG2 ILE 32 - HB2 LEU 70 far 5 100 5 - 5.1-12.8 QG2 ILE 32 - HB3 LEU 70 far 5 100 5 - 5.0-12.6 QD2 LEU 98 - HB2 LEU 70 far 0 83 0 - 5.8-9.1 QD2 LEU 123 - HB2 LEU 70 far 0 63 0 - 6.1-10.4 QD2 LEU 98 - HB3 LEU 70 far 0 82 0 - 6.9-8.9 QD2 LEU 123 - HB3 LEU 70 far 0 62 0 - 7.1-10.9 QD1 LEU 98 - HB3 LEU 70 far 0 99 0 - 8.3-11.0 QD1 LEU 98 - HB2 LEU 70 far 0 99 0 - 8.4-11.3 QG1 VAL 133 - HB2 LEU 70 far 0 83 0 - 9.1-11.3 QG1 VAL 133 - HB3 LEU 70 far 0 82 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2242 from cnoeabs.peaks (8.14, 1.71, 41.52 ppm; 4.79 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 71 + HB2 LEU 70 OK 100 100 100 100 2.4-4.3 4.3=100 H ASP 71 + HB3 LEU 70 OK 100 100 100 100 2.4-4.3 4.3=100 H ILE 32 - HB2 LEU 70 far 0 100 0 - 8.6-15.0 H ILE 32 - HB3 LEU 70 far 0 100 0 - 8.7-15.9 H ASN 121 - HB2 LEU 70 far 0 90 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 2243 from cnoeabs.peaks (4.22, 1.71, 41.52 ppm; 4.87 A): 2 out of 16 assignments used, quality = 1.00: * HA HIS 67 + HB3 LEU 70 OK 100 100 100 100 2.1-4.9 9462/3.2=83...(26) HA HIS 67 + HB2 LEU 70 OK 100 100 100 100 2.2-4.9 9462/3.2=83...(26) HA SER 94 - HB2 LEU 70 far 5 91 5 - 6.3-10.3 HA ALA 29 - HB3 LEU 70 far 0 97 0 - 6.8-14.2 HA SER 94 - HB3 LEU 70 far 0 92 0 - 6.9-9.9 HA GLU 30 - HB2 LEU 70 far 0 98 0 - 6.9-16.3 HA ALA 34 - HB3 LEU 70 far 0 99 0 - 7.6-15.9 HA GLU 30 - HB3 LEU 70 far 0 99 0 - 7.7-17.9 HA ALA 29 - HB2 LEU 70 far 0 96 0 - 8.2-15.2 HA ALA 34 - HB2 LEU 70 far 0 98 0 - 8.3-16.0 HA GLN 27 - HB3 LEU 70 far 0 68 0 - 8.7-19.8 HA GLN 27 - HB2 LEU 70 far 0 67 0 - 9.0-21.2 HA SER 99 - HB2 LEU 70 far 0 100 0 - 9.1-11.8 HA VAL 105 - HB3 LEU 70 far 0 65 0 - 9.8-14.8 HA SER 99 - HB3 LEU 70 far 0 100 0 - 9.8-11.2 HA ALA 28 - HB3 LEU 70 far 0 83 0 - 9.8-18.6 Violated in 0 structures by 0.00 A. Peak 2244 from cnoeabs.peaks (8.46, 1.71, 41.52 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.1-3.6 3.2=100 H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.6 3.2=100 H LEU 100 - HB2 LEU 70 far 4 77 5 - 5.6-8.2 H LEU 100 - HB3 LEU 70 far 0 78 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 2245 from cnoeabs.peaks (3.88, 1.71, 41.52 ppm; 4.77 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HA ALA 46 - HB2 LEU 70 far 0 92 0 - 6.7-10.8 HA ALA 46 - HB3 LEU 70 far 0 93 0 - 7.4-10.9 HA3 GLY 75 - HB2 LEU 70 far 0 77 0 - 8.3-11.5 HB2 SER 94 - HB2 LEU 70 far 0 80 0 - 8.6-12.3 HB3 SER 33 - HB2 LEU 70 far 0 56 0 - 8.7-17.4 HA3 GLY 75 - HB3 LEU 70 far 0 78 0 - 8.8-11.5 HB2 SER 94 - HB3 LEU 70 far 0 81 0 - 8.9-12.1 HB3 SER 33 - HB3 LEU 70 far 0 57 0 - 8.9-17.6 Violated in 0 structures by 0.00 A. Peak 2246 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 Reference assignment not found: HB2 LEU 70 - HB3 LEU 70 Peak 2247 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 Peak 2248 from cnoeabs.peaks (1.61, 1.71, 41.52 ppm; 4.15 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 122 - HB2 LEU 70 far 10 100 10 - 4.3-9.8 HG LEU 122 - HB2 LEU 70 far 10 98 10 - 5.4-9.6 HB2 LEU 122 - HB3 LEU 70 far 5 100 5 - 5.0-10.0 HG LEU 122 - HB3 LEU 70 far 0 99 0 - 5.9-9.6 Violated in 0 structures by 0.00 A. Peak 2249 from cnoeabs.peaks (0.82, 1.71, 41.52 ppm; 3.97 A): 3 out of 13 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 QD1 LEU 122 + HB2 LEU 70 OK 26 95 30 92 3.9-8.2 2273/3.2=15, ~2272=12...(51) QD2 LEU 49 - HB2 LEU 70 poor 19 77 25 - 4.5-8.5 QD1 LEU 122 - HB3 LEU 70 poor 19 96 20 - 4.2-8.3 QD2 LEU 49 - HB3 LEU 70 far 8 78 10 - 5.2-8.2 QD1 LEU 53 - HB2 LEU 70 far 0 70 0 - 6.0-14.3 QG2 ILE 129 - HB3 LEU 70 far 0 100 0 - 6.3-8.9 QG2 ILE 129 - HB2 LEU 70 far 0 100 0 - 6.3-8.9 QD1 LEU 53 - HB3 LEU 70 far 0 71 0 - 6.8-14.4 QG1 VAL 133 - HB2 LEU 70 far 0 86 0 - 9.1-11.3 QD2 LEU 119 - HB2 LEU 70 far 0 86 0 - 9.2-12.9 QG1 VAL 133 - HB3 LEU 70 far 0 87 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2250 from cnoeabs.peaks (0.86, 1.71, 41.52 ppm; 4.04 A): 4 out of 14 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 69 + HB3 LEU 70 OK 32 95 35 98 5.2-7.0 ~6943=30, ~6944=29...(29) QD2 LEU 69 + HB2 LEU 70 OK 32 94 35 98 4.6-7.2 ~6943=30, ~6944=29...(30) QG2 ILE 32 - HB3 LEU 70 far 5 100 5 - 5.0-12.6 QG2 ILE 32 - HB2 LEU 70 far 5 100 5 - 5.1-12.8 QD2 LEU 98 - HB2 LEU 70 far 0 82 0 - 5.8-9.1 QD2 LEU 123 - HB2 LEU 70 far 0 62 0 - 6.1-10.4 QD2 LEU 98 - HB3 LEU 70 far 0 83 0 - 6.9-8.9 QD2 LEU 123 - HB3 LEU 70 far 0 63 0 - 7.1-10.9 QD1 LEU 98 - HB3 LEU 70 far 0 99 0 - 8.3-11.0 QD1 LEU 98 - HB2 LEU 70 far 0 99 0 - 8.4-11.3 QG1 VAL 133 - HB2 LEU 70 far 0 82 0 - 9.1-11.3 QG1 VAL 133 - HB3 LEU 70 far 0 83 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2251 from cnoeabs.peaks (8.14, 1.71, 41.52 ppm; 4.80 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 71 + HB3 LEU 70 OK 100 100 100 100 2.4-4.3 4.3=100 H ASP 71 + HB2 LEU 70 OK 100 100 100 100 2.4-4.3 4.3=100 H ILE 32 - HB2 LEU 70 far 0 100 0 - 8.6-15.0 H ILE 32 - HB3 LEU 70 far 0 100 0 - 8.7-15.9 H ASN 121 - HB2 LEU 70 far 0 89 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 2252 from cnoeabs.peaks (8.46, 1.61, 27.00 ppm; 6.80 A): 5 out of 12 assignments used, quality = 1.00: * H LEU 70 + HG LEU 70 OK 100 100 100 100 2.0-4.6 5.0=100 H LEU 100 + HG LEU 70 OK 77 78 100 98 5.1-7.2 2268/2.1=38, ~11097=32...(26) H ASN 116 + HG LEU 119 OK 73 73 100 100 4.1-6.3 4.0/11584=88...(15) H LEU 100 + HG LEU 122 OK 72 72 100 100 2.6-6.4 ~11398=43, 4.5/11473=41...(42) H LEU 70 + HG LEU 122 OK 70 97 85 84 6.4-8.7 4.9/2272=31...(14) H LEU 100 - HG LEU 119 far 7 66 10 - 8.3-11.3 H ALA 12 - HG LEU 22 far 6 64 10 - 3.0-20.1 H ASN 13 - HG LEU 22 far 2 46 5 - 5.4-18.6 H ALA 12 - HG3 ARG 23 far 0 58 0 - 8.8-19.6 H ASN 116 - HG LEU 122 far 0 79 0 - 9.0-12.0 H SER 9 - HG LEU 22 far 0 60 0 - 9.5-27.7 H ASN 13 - HG3 ARG 23 far 0 41 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 2253 from cnoeabs.peaks (3.88, 1.61, 27.00 ppm; 6.46 A): 4 out of 22 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-3.9 3.7=100 HA2 GLY 114 + HG LEU 119 OK 78 92 85 100 3.9-10.1 ~10160=85, ~10165=78...(10) HD2 PRO 117 + HG LEU 119 OK 66 66 100 100 5.8-7.6 4.8/11584=75...(12) HA LEU 70 + HG LEU 122 OK 39 97 50 81 7.0-9.0 2269/2272=32...(15) HA ALA 46 - HG LEU 70 poor 19 93 20 - 7.6-12.9 HA ALA 46 - HG LEU 122 far 13 88 15 - 7.5-10.6 HB2 SER 60 - HG LEU 22 far 3 51 5 - 6.7-31.8 HB3 SER 60 - HG LEU 22 far 3 51 5 - 7.6-32.9 HB3 SER 60 - HG3 ARG 23 far 2 46 5 - 7.3-29.0 HB2 SER 60 - HG3 ARG 23 far 2 46 5 - 7.9-30.6 HB3 SER 33 - HG3 ARG 23 far 2 39 5 - 7.8-27.1 HA ALA 41 - HG3 ARG 23 far 0 44 0 - 8.1-31.7 HB3 SER 50 - HG LEU 122 far 0 95 0 - 8.2-12.9 HB2 SER 94 - HG LEU 70 far 0 81 0 - 8.2-12.4 HA3 GLY 75 - HG LEU 70 far 0 78 0 - 8.4-12.4 HB3 SER 33 - HG LEU 22 far 0 44 0 - 8.7-29.3 HB2 SER 60 - HG LEU 119 far 0 55 0 - 8.8-16.5 HB3 SER 60 - HG LEU 119 far 0 55 0 - 8.9-16.6 HA2 GLY 114 - HG LEU 122 far 0 97 0 - 9.0-16.0 HD2 PRO 117 - HG LEU 122 far 0 72 0 - 9.3-11.8 HB3 SER 33 - HG LEU 70 far 0 57 0 - 9.9-18.4 HA3 GLY 2 - HG LEU 22 far 0 79 0 - 9.9-46.4 Violated in 0 structures by 0.00 A. Peak 2254 from cnoeabs.peaks (1.71, 1.61, 27.00 ppm; 4.08 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 70 - HG LEU 122 far 5 97 5 - 5.4-9.6 HB3 LEU 70 - HG LEU 122 far 0 97 0 - 5.9-9.6 HG LEU 48 - HG LEU 22 far 0 87 0 - 6.9-29.4 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.5-11.9 HG LEU 48 - HG3 ARG 23 far 0 80 0 - 7.5-28.2 HG LEU 98 - HG LEU 122 far 0 97 0 - 7.8-12.3 HG LEU 98 - HG3 ARG 23 far 0 80 0 - 8.5-37.8 HG LEU 48 - HG LEU 70 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 2255 from cnoeabs.peaks (1.71, 1.61, 27.00 ppm; 4.03 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 70 - HG LEU 122 far 5 97 5 - 5.4-9.6 HB3 LEU 70 - HG LEU 122 far 0 97 0 - 5.9-9.6 HB2 LYS 31 - HG3 ARG 23 far 0 41 0 - 6.2-21.9 HG LEU 48 - HG LEU 22 far 0 87 0 - 6.9-29.4 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.5-11.9 HG LEU 48 - HG3 ARG 23 far 0 80 0 - 7.5-28.2 HG LEU 98 - HG LEU 122 far 0 96 0 - 7.8-12.3 HB2 LYS 31 - HG LEU 22 far 0 46 0 - 8.0-23.5 HG LEU 98 - HG3 ARG 23 far 0 79 0 - 8.5-37.8 HG LEU 48 - HG LEU 70 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 2256 from cnoeabs.peaks (1.61, 1.61, 27.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG LEU 70 + HG LEU 70 OK 100 100 - 100 HG LEU 122 + HG LEU 122 OK 95 95 - 100 HG LEU 119 + HG LEU 119 OK 87 87 - 100 HG LEU 22 + HG LEU 22 OK 86 86 - 100 HG3 ARG 23 + HG3 ARG 23 OK 70 70 - 100 Peak 2257 from cnoeabs.peaks (0.82, 1.61, 27.00 ppm; 2.92 A): 5 out of 21 assignments used, quality = 1.00: * QD1 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 122 + HG LEU 122 OK 90 90 100 100 2.1-2.1 2.1=100 QD2 LEU 119 + HG LEU 119 OK 75 75 100 100 2.1-2.1 2.1=100 QD2 LEU 22 + HG LEU 22 OK 60 60 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 122 OK 40 97 55 74 2.5-8.1 2.1/2272=16, 2264=16...(28) QD1 LEU 53 - HG LEU 122 poor 20 65 30 - 2.0-9.1 QD1 LEU 122 - HG LEU 70 far 14 96 15 - 3.4-8.1 QD1 LEU 53 - HG LEU 119 poor 12 60 20 - 3.3-9.7 QD1 LEU 122 - HG LEU 119 poor 10 84 30 39 3.9-9.0 11702/3.7=12, 3770/2.9=6...(12) QD2 LEU 49 - HG LEU 122 far 7 72 10 - 3.9-7.2 QD2 LEU 22 - HG3 ARG 23 far 5 54 10 - 2.0-7.9 QD2 LEU 49 - HG LEU 70 far 0 78 0 - 4.7-9.7 QD2 LEU 119 - HG LEU 122 far 0 81 0 - 5.1-7.5 QD1 LEU 53 - HG LEU 70 far 0 71 0 - 6.5-13.5 QG2 ILE 129 - HG LEU 70 far 0 100 0 - 6.6-8.9 QD2 LEU 49 - HG LEU 119 far 0 66 0 - 7.7-11.8 QD1 LEU 70 - HG LEU 119 far 0 92 0 - 8.4-12.7 QD2 LEU 119 - HG LEU 70 far 0 87 0 - 9.0-13.3 QG2 ILE 129 - HG LEU 122 far 0 97 0 - 9.3-10.9 QG1 VAL 133 - HG LEU 70 far 0 87 0 - 9.6-11.6 QG2 ILE 80 - HG LEU 70 far 0 100 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 2258 from cnoeabs.peaks (0.86, 1.61, 27.00 ppm; 4.64 A): 6 out of 29 assignments used, quality = 1.00: * QD2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 22 + HG LEU 22 OK 75 75 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 122 OK 71 97 75 98 3.2-7.7 2272=32, 3173/3.0=20...(37) QD2 LEU 69 + HG LEU 70 OK 50 95 55 96 3.6-8.1 2229/3.7=29...(22) QD2 LEU 123 + HG LEU 122 OK 46 58 100 80 1.9-6.0 4.8/7745=17, 2266/2.1=16...(21) QD2 LEU 22 + HG3 ARG 23 OK 20 69 40 75 2.0-7.9 6200/5.0=40, 3.1/380=13...(16) QD2 LEU 123 - HG LEU 119 poor 18 52 35 - 4.7-7.9 QD2 LEU 98 - HG LEU 122 far 12 77 15 - 4.6-10.3 QG2 VAL 57 - HG LEU 119 lone 10 90 65 17 4.6-10.9 9319/2001=7, 1806/2.1=3...(5) QG2 ILE 32 - HG3 ARG 23 far 8 80 10 - 4.6-18.9 QD2 LEU 69 - HG LEU 122 poor 6 89 25 27 5.2-9.6 ~11034=5, 11061/2.1=4...(10) QD2 LEU 98 - HG LEU 70 far 4 83 5 - 5.5-8.9 QD2 LEU 123 - HG LEU 70 far 3 63 5 - 6.0-10.1 QG2 ILE 32 - HG LEU 70 far 0 100 0 - 6.5-12.8 QD1 LEU 98 - HG LEU 122 far 0 96 0 - 6.7-11.8 QG2 VAL 57 - HG LEU 122 far 0 96 0 - 7.1-9.9 QD1 LEU 98 - HG3 ARG 23 far 0 79 0 - 7.3-33.3 QD1 LEU 98 - HG LEU 70 far 0 99 0 - 8.0-10.9 QD2 LEU 98 - HG LEU 119 far 0 71 0 - 8.3-13.7 QD2 LEU 98 - HG3 ARG 23 far 0 60 0 - 8.4-31.0 QD2 LEU 69 - HG LEU 119 far 0 83 0 - 8.5-15.1 QD2 LEU 70 - HG LEU 119 far 0 92 0 - 8.6-12.3 QG2 ILE 32 - HG LEU 22 far 0 87 0 - 8.7-21.1 QG2 VAL 57 - HG LEU 22 far 0 85 0 - 8.9-26.3 QD1 LEU 98 - HG LEU 119 far 0 90 0 - 8.9-14.0 QD1 LEU 98 - HG LEU 22 far 0 85 0 - 9.2-35.5 QG2 ILE 32 - HG LEU 122 far 0 97 0 - 9.4-15.7 QG2 VAL 57 - HG3 ARG 23 far 0 79 0 - 9.5-26.3 QG1 VAL 133 - HG LEU 70 far 0 83 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2259 from cnoeabs.peaks (8.14, 1.61, 27.00 ppm; 4.48 A): 5 out of 9 assignments used, quality = 1.00: * H ASP 71 + HG LEU 70 OK 100 100 100 100 3.1-5.0 2275/2.1=64, 6964/2.1=60...(19) H LEU 22 + HG LEU 22 OK 81 81 100 100 1.9-4.3 6188/3.0=78, 5.1=67...(15) H LEU 22 + HG3 ARG 23 OK 66 74 95 94 3.5-6.5 10728/3.8=75, ~444=19...(18) H ASN 121 + HG LEU 119 OK 34 78 50 87 5.5-6.8 7690/4.6=32, 4.1/7666=22...(15) H ASN 121 + HG LEU 122 OK 25 85 35 85 4.2-7.2 10321/2.1=29, ~10323=25...(16) H ILE 32 - HG3 ARG 23 far 0 80 0 - 8.0-20.7 H ALA 15 - HG LEU 22 far 0 86 0 - 8.5-18.2 H ASP 71 - HG LEU 122 far 0 97 0 - 8.6-11.0 H ALA 15 - HG3 ARG 23 far 0 79 0 - 8.6-19.6 Violated in 0 structures by 0.00 A. Peak 2260 from cnoeabs.peaks (8.46, 0.82, 25.52 ppm; 3.71 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.3-4.2 4.3=62, 2.9/2261=58...(29) H LEU 100 + QD1 LEU 70 OK 59 78 85 89 3.4-6.8 4.9/9487=29, 2268/2.1=23...(30) H LEU 100 + QD1 LEU 122 OK 31 41 80 94 3.4-5.9 10026=18, 4.5/11479=17...(40) H LEU 70 - QD1 LEU 122 poor 15 61 25 - 4.4-8.2 H ASN 116 - QD1 LEU 122 far 0 46 0 - 7.4-10.9 H ASP 47 - QD1 LEU 122 far 0 58 0 - 7.9-11.3 H ASP 47 - QD1 LEU 70 far 0 99 0 - 8.7-13.0 H VAL 132 - QD1 LEU 70 far 0 99 0 - 9.9-13.8 Violated in 1 structures by 0.01 A. Peak 2261 from cnoeabs.peaks (3.88, 0.82, 25.52 ppm; 3.72 A): 1 out of 15 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-3.9 3.8=92, 2269/2.1=83...(21) HA LEU 70 - QD1 LEU 122 far 6 61 10 - 4.4-8.4 HA ALA 46 - QD1 LEU 122 far 3 52 5 - 5.2-8.8 HA ALA 46 - QD1 LEU 70 far 0 93 0 - 5.8-10.6 HB3 SER 50 - QD1 LEU 122 far 0 59 0 - 6.3-10.5 HA3 GLY 75 - QD1 LEU 70 far 0 78 0 - 6.5-10.6 HA2 GLY 114 - QD1 LEU 122 far 0 61 0 - 6.7-13.3 HB2 SER 94 - QD1 LEU 70 far 0 81 0 - 6.8-9.4 HD2 PRO 117 - QD1 LEU 122 far 0 41 0 - 7.2-10.9 HB2 SER 60 - QD1 LEU 122 far 0 33 0 - 8.5-13.4 HB3 SER 50 - QD1 LEU 70 far 0 99 0 - 8.7-14.3 HB3 SER 60 - QD1 LEU 122 far 0 33 0 - 8.7-13.5 HB2 SER 94 - QD1 LEU 122 far 0 43 0 - 8.9-12.6 HB3 SER 33 - QD1 LEU 70 far 0 57 0 - 9.3-16.0 HA2 GLY 2 - QD1 LEU 122 far 0 55 0 - 9.3-57.8 Violated in 5 structures by 0.03 A. Peak 2262 from cnoeabs.peaks (1.71, 0.82, 25.52 ppm; 3.32 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 HB2 LEU 70 - QD1 LEU 122 far 9 61 15 - 3.9-8.2 HB3 LEU 70 - QD1 LEU 122 far 9 61 15 - 4.2-8.3 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.2-10.2 HG LEU 98 - QD1 LEU 122 far 0 61 0 - 7.5-10.8 HG LEU 48 - QD1 LEU 122 far 0 61 0 - 7.8-13.4 HG3 ARG 90 - QD1 LEU 70 far 0 81 0 - 9.6-12.1 HG LEU 48 - QD1 LEU 70 far 0 100 0 - 9.8-15.0 Violated in 0 structures by 0.00 A. Peak 2263 from cnoeabs.peaks (1.71, 0.82, 25.52 ppm; 3.32 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 HB3 LEU 70 - QD1 LEU 122 far 9 61 15 - 4.2-8.3 HB2 LEU 70 - QD1 LEU 122 far 9 61 15 - 3.9-8.2 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.2-10.2 HG LEU 98 - QD1 LEU 122 far 0 60 0 - 7.5-10.8 HG LEU 48 - QD1 LEU 122 far 0 61 0 - 7.8-13.4 HB2 LYS 31 - QD1 LEU 70 far 0 60 0 - 8.6-17.7 HG3 ARG 90 - QD1 LEU 70 far 0 87 0 - 9.6-12.1 HG LEU 48 - QD1 LEU 70 far 0 100 0 - 9.8-15.0 Violated in 0 structures by 0.00 A. Peak 2264 from cnoeabs.peaks (1.61, 0.82, 25.52 ppm; 2.98 A): 4 out of 8 assignments used, quality = 1.00: * HG LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 122 + QD1 LEU 122 OK 59 59 100 100 2.1-2.1 2.1=100 HB2 LEU 122 + QD1 LEU 122 OK 58 61 100 94 2.1-3.2 3.1=84, 3.5/7732=13...(24) HG LEU 122 + QD1 LEU 70 OK 43 99 60 72 2.5-8.1 2272/2.1=17, 2257=11...(31) HG LEU 119 - QD1 LEU 122 poor 17 57 30 - 3.9-9.0 HB2 LEU 122 - QD1 LEU 70 far 15 100 15 - 4.3-8.8 HG LEU 70 - QD1 LEU 122 far 9 61 15 - 3.4-8.1 HG LEU 119 - QD1 LEU 70 far 0 97 0 - 8.4-12.7 Violated in 0 structures by 0.00 A. Peak 2265 from cnoeabs.peaks (0.82, 0.82, 25.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + QD1 LEU 70 OK 100 100 - 100 QD1 LEU 122 + QD1 LEU 122 OK 55 55 - 100 Peak 2266 from cnoeabs.peaks (0.86, 0.82, 25.52 ppm; 2.50 A): 1 out of 16 assignments used, quality = 1.00: * QD2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 70 - QD1 LEU 122 poor 15 61 35 71 2.0-7.0 2273=18, 2272/2.1=11...(37) QD2 LEU 69 - QD1 LEU 70 far 14 95 15 - 3.3-6.8 QD2 LEU 123 - QD1 LEU 122 poor 8 32 95 27 1.9-4.0 11422=6, 11422/2.1=5...(9) QD2 LEU 69 - QD1 LEU 122 far 8 54 15 - 3.3-8.6 QD2 LEU 123 - QD1 LEU 70 far 3 63 5 - 3.9-8.7 QD2 LEU 98 - QD1 LEU 70 far 0 83 0 - 4.5-7.3 QD2 LEU 98 - QD1 LEU 122 far 0 44 0 - 4.5-9.2 QG2 ILE 32 - QD1 LEU 70 far 0 100 0 - 5.1-11.7 QG2 VAL 57 - QD1 LEU 122 far 0 60 0 - 5.6-9.1 QD1 LEU 98 - QD1 LEU 122 far 0 60 0 - 6.0-10.2 QD1 LEU 98 - QD1 LEU 70 far 0 99 0 - 6.2-8.7 QG2 ILE 32 - QD1 LEU 122 far 0 61 0 - 7.0-13.9 QG1 VAL 133 - QD1 LEU 70 far 0 83 0 - 7.7-10.4 QG1 VAL 133 - QD1 LEU 122 far 0 44 0 - 8.7-11.3 QG2 VAL 57 - QD1 LEU 70 far 0 99 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 2267 from cnoeabs.peaks (8.14, 0.82, 25.52 ppm; 4.86 A): 2 out of 7 assignments used, quality = 1.00: * H ASP 71 + QD1 LEU 70 OK 100 100 100 100 2.2-4.9 6964=88, 3.6/2261=77...(25) H ASN 121 + QD1 LEU 122 OK 41 50 85 95 3.3-6.5 10321=40, 4.0/7732=31...(23) H ASP 71 - QD1 LEU 122 far 3 61 5 - 6.2-9.8 H ILE 32 - QD1 LEU 70 far 0 100 0 - 6.7-14.7 H ASN 121 - QD1 LEU 70 far 0 90 0 - 7.7-12.3 H GLU 91 - QD1 LEU 70 far 0 96 0 - 9.0-11.6 H ILE 32 - QD1 LEU 122 far 0 61 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 2268 from cnoeabs.peaks (8.46, 0.86, 25.01 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.0-4.3 2.9/2269=78, 6949/2.1=59...(25) H LEU 100 + QD2 LEU 70 OK 62 78 85 93 3.4-6.1 4.9/11115=42...(31) H ASP 47 - QD2 LEU 70 far 0 99 0 - 7.8-13.7 H VAL 132 - QD2 LEU 70 far 0 99 0 - 9.4-13.4 Violated in 2 structures by 0.01 A. Peak 2269 from cnoeabs.peaks (3.88, 0.86, 25.01 ppm; 3.25 A): 1 out of 6 assignments used, quality = 0.98: * HA LEU 70 + QD2 LEU 70 OK 98 100 100 98 1.8-3.9 4.0=55, 2261/2.1=53...(20) HA ALA 46 - QD2 LEU 70 far 0 93 0 - 5.0-11.1 HB2 SER 94 - QD2 LEU 70 far 0 81 0 - 6.5-9.9 HA3 GLY 75 - QD2 LEU 70 far 0 78 0 - 7.1-10.7 HB3 SER 33 - QD2 LEU 70 far 0 57 0 - 7.2-15.4 HB3 SER 50 - QD2 LEU 70 far 0 99 0 - 8.4-14.7 Violated in 8 structures by 0.17 A. Peak 2270 from cnoeabs.peaks (1.71, 0.86, 25.01 ppm; 3.38 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 HB3 LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 5.9-9.9 HG LEU 48 - QD2 LEU 70 far 0 100 0 - 8.0-15.3 HG3 ARG 90 - QD2 LEU 70 far 0 81 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 2271 from cnoeabs.peaks (1.71, 0.86, 25.01 ppm; 3.38 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 5.9-9.9 HG LEU 48 - QD2 LEU 70 far 0 100 0 - 8.0-15.3 HG3 ARG 90 - QD2 LEU 70 far 0 87 0 - 9.3-12.5 HB2 LYS 31 - QD2 LEU 70 far 0 60 0 - 9.3-17.2 Violated in 0 structures by 0.00 A. Peak 2272 from cnoeabs.peaks (1.61, 0.86, 25.01 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 122 + QD2 LEU 70 OK 48 99 55 88 3.2-7.7 2.1/2273=16, 2.1/2273=15...(40) HB2 LEU 122 - QD2 LEU 70 poor 20 100 20 - 3.5-7.4 HG LEU 119 - QD2 LEU 70 far 0 97 0 - 8.6-12.3 Violated in 0 structures by 0.00 A. Peak 2273 from cnoeabs.peaks (0.82, 0.86, 25.01 ppm; 2.50 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 122 + QD2 LEU 70 OK 23 96 35 69 2.0-7.0 2266=16, 2.1/2272=11...(39) QD2 LEU 49 - QD2 LEU 70 lone 3 78 35 10 3.3-8.1 6950/2268=4...(5) QG2 ILE 129 - QD2 LEU 70 far 0 100 0 - 4.9-7.9 QD1 LEU 53 - QD2 LEU 70 far 0 71 0 - 4.9-10.9 QG1 VAL 133 - QD2 LEU 70 far 0 87 0 - 7.1-10.2 QD2 LEU 119 - QD2 LEU 70 far 0 87 0 - 7.3-11.0 QG2 ILE 80 - QD2 LEU 70 far 0 100 0 - 8.7-13.4 Violated in 0 structures by 0.00 A. Peak 2274 from cnoeabs.peaks (0.86, 0.86, 25.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 Peak 2275 from cnoeabs.peaks (8.14, 0.86, 25.01 ppm; 4.96 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 71 + QD2 LEU 70 OK 100 100 100 100 2.0-4.5 3.6/2269=87, 6964/2.1=74...(22) H ILE 32 - QD2 LEU 70 far 0 100 0 - 6.7-13.8 H ASN 121 - QD2 LEU 70 far 0 90 0 - 8.0-11.3 H GLU 91 - QD2 LEU 70 far 0 96 0 - 8.7-12.2 H VAL 133 - QD2 LEU 70 far 0 99 0 - 9.6-13.2 H ALA 15 - QD2 LEU 70 far 0 100 0 - 9.7-33.2 Violated in 0 structures by 0.00 A. Peak 2276 from cnoeabs.peaks (8.14, 4.42, 57.33 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HA ASP 71 OK 100 100 100 100 2.8-2.9 2.8=100 H ILE 32 - HA ASP 71 far 0 100 0 - 5.8-16.6 Violated in 0 structures by 0.00 A. Peak 2277 from cnoeabs.peaks (4.42, 4.42, 57.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 71 + HA ASP 71 OK 100 100 - 100 Peak 2278 from cnoeabs.peaks (2.63, 4.42, 57.33 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HA ASP 71 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2279 from cnoeabs.peaks (2.81, 4.42, 57.33 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HA ASP 71 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2280 from cnoeabs.peaks (8.32, 4.42, 57.33 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HA ASP 71 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 69 - HA ASP 71 far 0 76 0 - 6.6-7.2 H ALA 28 - HA ASP 71 far 0 100 0 - 8.9-22.1 Violated in 0 structures by 0.00 A. Peak 2281 from cnoeabs.peaks (8.41, 4.42, 57.33 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * H SER 74 + HA ASP 71 OK 100 100 100 100 3.4-4.1 7004=100, 7005/3.6=41...(8) H ALA 34 - HA ASP 71 poor 14 71 20 - 4.6-14.8 H ASP 35 - HA ASP 71 far 0 81 0 - 6.9-14.5 H VAL 93 - HA ASP 71 far 0 63 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 2282 from cnoeabs.peaks (4.07, 4.42, 57.33 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.98: * HB2 SER 74 + HA ASP 71 OK 87 100 100 87 3.2-5.4 3.9/7004=50, 2347=50...(4) HB3 SER 74 + HA ASP 71 OK 87 100 100 87 2.3-4.4 2341=51, 3.9/7004=50...(4) HA LEU 96 - HA ASP 71 far 0 68 0 - 9.6-11.5 HA LEU 122 - HA ASP 71 far 0 87 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 2283 from cnoeabs.peaks (4.07, 4.42, 57.33 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.98: HB2 SER 74 + HA ASP 71 OK 87 100 100 87 3.2-5.4 2347=50, 3.9/7004=50...(4) * HB3 SER 74 + HA ASP 71 OK 87 100 100 87 2.3-4.4 2341=51, 3.9/7004=50...(4) HA LEU 96 - HA ASP 71 far 0 65 0 - 9.6-11.5 HA LEU 122 - HA ASP 71 far 0 85 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 2284 from cnoeabs.peaks (3.99, 2.63, 39.26 ppm; 4.45 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 68 + HB2 ASP 71 OK 100 100 100 100 3.3-4.3 2128=100, 2129/1.8=91...(15) HA ILE 37 - HB2 ASP 71 far 0 65 0 - 6.1-11.4 HB3 SER 106 - HB2 ASP 71 far 0 92 0 - 8.2-20.0 HA THR 65 - HB2 ASP 71 far 0 76 0 - 8.7-9.6 HB2 SER 106 - HB2 ASP 71 far 0 65 0 - 8.8-20.0 HB2 SER 38 - HB2 ASP 71 far 0 81 0 - 8.8-15.7 HA VAL 20 - HB2 ASP 71 far 0 100 0 - 9.7-27.0 Violated in 0 structures by 0.00 A. Peak 2285 from cnoeabs.peaks (8.14, 2.63, 39.26 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HB2 ASP 71 OK 100 100 100 100 2.3-3.4 6967=100, 6968/1.8=83...(11) H ILE 32 - HB2 ASP 71 far 15 100 15 - 4.7-14.6 Violated in 0 structures by 0.00 A. Peak 2286 from cnoeabs.peaks (4.42, 2.63, 39.26 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 71 + HB2 ASP 71 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 33 - HB2 ASP 71 lone 3 85 25 13 2.1-11.3 10788/10848=10, 2292/1.8=3 HA SER 107 - HB2 ASP 71 far 0 63 0 - 5.6-16.7 Violated in 0 structures by 0.00 A. Peak 2287 from cnoeabs.peaks (2.63, 2.63, 39.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HB2 ASP 71 OK 100 100 - 100 Peak 2288 from cnoeabs.peaks (2.81, 2.63, 39.26 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 71 + HB2 ASP 71 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 13 - HB2 ASP 71 far 0 100 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 2289 from cnoeabs.peaks (8.32, 2.63, 39.26 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HB2 ASP 71 OK 100 100 100 100 2.8-4.1 6978=100, 6979/1.8=88...(14) H LEU 69 - HB2 ASP 71 poor 19 76 25 - 5.8-6.4 H ALA 28 - HB2 ASP 71 far 0 100 0 - 9.2-20.2 Violated in 0 structures by 0.00 A. Peak 2290 from cnoeabs.peaks (3.99, 2.81, 39.26 ppm; 4.24 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 68 + HB3 ASP 71 OK 100 100 100 100 2.5-5.4 2129=100, 2128/1.8=83...(15) HB3 SER 106 - HB3 ASP 71 far 0 92 0 - 7.1-19.7 HA ILE 37 - HB3 ASP 71 far 0 65 0 - 7.4-11.9 HB2 SER 106 - HB3 ASP 71 far 0 65 0 - 7.7-20.1 HA THR 65 - HB3 ASP 71 far 0 76 0 - 7.8-10.8 Violated in 1 structures by 0.06 A. Peak 2291 from cnoeabs.peaks (8.14, 2.81, 39.26 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.1-3.6 6968=100, 6967/1.8=76...(15) H ILE 32 - HB3 ASP 71 far 15 100 15 - 3.7-14.2 Violated in 0 structures by 0.00 A. Peak 2292 from cnoeabs.peaks (4.42, 2.81, 39.26 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 33 - HB3 ASP 71 lone 4 85 25 19 3.2-11.3 10774/10764=16, 2286/1.8=2 HA SER 107 - HB3 ASP 71 far 0 63 0 - 6.6-16.2 Violated in 0 structures by 0.00 A. Peak 2293 from cnoeabs.peaks (2.63, 2.81, 39.26 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HB3 ASP 71 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2294 from cnoeabs.peaks (2.81, 2.81, 39.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HB3 ASP 71 OK 100 100 - 100 Peak 2295 from cnoeabs.peaks (8.32, 2.81, 39.26 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 72 + HB3 ASP 71 OK 100 100 100 100 2.7-4.1 6979=100, 6978/1.8=82...(14) H LEU 69 + HB3 ASP 71 OK 65 76 90 95 4.6-7.4 3.6/2129=66...(10) H ALA 28 - HB3 ASP 71 far 0 100 0 - 7.9-19.9 Violated in 0 structures by 0.00 A. Peak 2296 from cnoeabs.peaks (8.32, 4.55, 60.48 ppm; 5.16 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HA TYR 72 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 69 - HA TYR 72 far 0 76 0 - 7.1-7.8 H GLU 44 - HA TYR 72 far 0 97 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 2297 from cnoeabs.peaks (4.55, 4.55, 60.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 72 + HA TYR 72 OK 100 100 - 100 Peak 2298 from cnoeabs.peaks (3.02, 4.55, 60.48 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HA TYR 72 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2299 from cnoeabs.peaks (3.34, 4.55, 60.48 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + HA TYR 72 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 CYS 73 - HA TYR 72 poor 20 85 25 93 5.5-6.6 4.4/7006=36, ~9536=29...(18) HB2 HIS 67 - HA TYR 72 far 0 100 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 2300 from cnoeabs.peaks (7.15, 4.55, 60.48 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HA TYR 72 OK 100 100 100 100 1.9-3.5 3.4=100 HD2 HIS 67 - HA TYR 72 far 0 100 0 - 8.3-13.5 Violated in 0 structures by 0.00 A. Peak 2302 from cnoeabs.peaks (8.85, 4.55, 60.48 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HA TYR 72 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2303 from cnoeabs.peaks (4.33, 3.02, 37.59 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 69 + HB2 TYR 72 OK 100 100 100 100 2.5-5.4 2177=100, 2178/1.8=100...(26) HA2 GLY 75 + HB2 TYR 72 OK 87 95 100 92 5.6-7.1 9531/2.7=38, 6988/4.4=30...(8) HA TYR 76 + HB2 TYR 72 OK 82 85 100 97 5.4-7.6 9615/10874=66...(8) Violated in 0 structures by 0.00 A. Peak 2304 from cnoeabs.peaks (8.32, 3.02, 37.59 ppm; 5.00 A): 2 out of 5 assignments used, quality = 1.00: * H TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.3-3.7 3.8=100 H LEU 69 + HB2 TYR 72 OK 26 76 35 100 5.2-7.6 2.9/2177=59, ~2178=53...(18) H GLU 44 - HB2 TYR 72 far 0 97 0 - 7.3-10.3 H LEU 49 - HB2 TYR 72 far 0 85 0 - 9.6-13.0 H GLY 17 - HB2 TYR 72 far 0 100 0 - 9.9-32.1 Violated in 0 structures by 0.00 A. Peak 2305 from cnoeabs.peaks (4.55, 3.02, 37.59 ppm; 5.06 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 38 + HB2 TYR 72 OK 25 97 40 66 4.9-9.5 10846/9010=43...(5) HA ASP 35 - HB2 TYR 72 far 0 63 0 - 6.8-10.7 Violated in 0 structures by 0.00 A. Peak 2306 from cnoeabs.peaks (3.02, 3.02, 37.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HB2 TYR 72 OK 100 100 - 100 Peak 2307 from cnoeabs.peaks (3.34, 3.02, 37.59 ppm; 4.48 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + HB2 TYR 72 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 CYS 73 + HB2 TYR 72 OK 20 85 30 79 4.8-7.1 3.0/9529=27, 6982/3.8=17...(11) HB2 HIS 67 - HB2 TYR 72 far 0 100 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 2308 from cnoeabs.peaks (7.15, 3.02, 37.59 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.3-2.8 2.7=100 HD2 HIS 67 - HB2 TYR 72 far 0 100 0 - 8.4-13.7 Violated in 0 structures by 0.00 A. Peak 2310 from cnoeabs.peaks (8.85, 3.02, 37.59 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB2 TYR 72 OK 100 100 100 100 2.3-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 2311 from cnoeabs.peaks (4.33, 3.34, 37.59 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HB3 TYR 72 OK 100 100 100 100 2.5-5.2 2178=100, 6973/3.8=100...(27) HA2 GLY 75 + HB3 TYR 72 OK 85 95 100 90 5.9-7.3 9531/2.7=38, 6988/4.4=30...(8) HA TYR 76 + HB3 TYR 72 OK 83 85 100 97 5.8-7.6 9615/9091=68...(8) HA LYS 24 - HB3 TYR 72 far 0 100 0 - 10.0-25.4 Violated in 0 structures by 0.00 A. Peak 2312 from cnoeabs.peaks (8.32, 3.34, 37.59 ppm; 5.32 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.4-3.6 3.8=100 H LEU 69 + HB3 TYR 72 OK 57 76 75 100 5.2-7.5 2.9/2178=79, 4.3/9514=54...(19) H GLU 44 - HB3 TYR 72 far 0 97 0 - 6.9-9.7 H LEU 49 - HB3 TYR 72 far 0 85 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 2313 from cnoeabs.peaks (4.55, 3.34, 37.59 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 38 - HB3 TYR 72 poor 18 97 25 74 4.1-9.1 10846/10825=44...(5) HA ASP 35 - HB3 TYR 72 far 3 63 5 - 6.5-10.9 Violated in 0 structures by 0.00 A. Peak 2314 from cnoeabs.peaks (3.02, 3.34, 37.59 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HB3 TYR 72 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2315 from cnoeabs.peaks (3.34, 3.34, 37.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 72 + HB3 TYR 72 OK 100 100 - 100 Peak 2316 from cnoeabs.peaks (7.15, 3.34, 37.59 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-2.8 2.7=100 HD2 HIS 67 - HB3 TYR 72 far 0 100 0 - 8.3-13.9 Violated in 0 structures by 0.00 A. Peak 2318 from cnoeabs.peaks (8.85, 3.34, 37.59 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB3 TYR 72 OK 100 100 100 100 2.3-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 2319 from cnoeabs.peaks (8.85, 4.38, 64.37 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HA CYS 73 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2320 from cnoeabs.peaks (4.38, 4.38, 64.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 73 + HA CYS 73 OK 100 100 - 100 Peak 2321 from cnoeabs.peaks (2.75, 4.38, 64.37 ppm; 4.16 A): 2 out of 5 assignments used, quality = 1.00: * HB2 CYS 73 + HA CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TYR 76 + HA CYS 73 OK 90 97 95 99 1.8-5.9 3.8/11789=45...(25) HB3 ASP 78 - HA CYS 73 far 0 97 0 - 7.8-9.7 HB2 CYS 125 - HA CYS 73 far 0 96 0 - 8.3-11.7 HB3 ASP 35 - HA CYS 73 far 0 100 0 - 9.5-16.9 Violated in 0 structures by 0.00 A. Peak 2322 from cnoeabs.peaks (3.32, 4.38, 64.37 ppm; 5.63 A): 3 out of 4 assignments used, quality = 1.00: * HB3 CYS 73 + HA CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 TYR 72 + HA CYS 73 OK 84 85 100 99 4.0-5.6 3.8/9536=71, 1.8/9529=49...(14) HB2 PHE 89 + HA CYS 73 OK 48 99 50 97 6.6-7.7 4.5/11145=72...(18) HB3 PHE 89 - HA CYS 73 far 14 96 15 - 6.8-7.9 Violated in 0 structures by 0.00 A. Peak 2323 from cnoeabs.peaks (8.41, 4.38, 64.37 ppm; 5.72 A): 1 out of 4 assignments used, quality = 1.00: * H SER 74 + HA CYS 73 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 34 - HA CYS 73 poor 18 71 25 - 5.1-15.3 H VAL 93 - HA CYS 73 poor 16 63 25 - 6.6-8.2 H ASP 35 - HA CYS 73 far 0 81 0 - 7.4-15.3 Violated in 0 structures by 0.00 A. Peak 2325 from cnoeabs.peaks (8.85, 2.75, 27.55 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB2 CYS 73 OK 100 100 100 100 2.3-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2326 from cnoeabs.peaks (4.38, 2.75, 27.55 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA CYS 73 + HB2 CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 33 - HB2 CYS 73 far 10 96 10 - 7.9-17.3 HA ASP 78 - HB2 CYS 73 far 0 100 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2327 from cnoeabs.peaks (2.75, 2.75, 27.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 73 + HB2 CYS 73 OK 100 100 - 100 Peak 2328 from cnoeabs.peaks (3.32, 2.75, 27.55 ppm; 5.08 A): 3 out of 5 assignments used, quality = 1.00: * HB3 CYS 73 + HB2 CYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 72 + HB2 CYS 73 OK 71 85 90 93 4.1-7.2 7000/3.8=33, ~9529=32...(14) HB2 PHE 89 + HB2 CYS 73 OK 28 99 35 82 6.0-9.5 5.8/11147=31, ~5535=14...(19) HB3 PHE 89 - HB2 CYS 73 poor 20 96 25 82 6.3-9.8 5.8/11147=31...(17) HB2 HIS 67 - HB2 CYS 73 far 0 81 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2330 from cnoeabs.peaks (3.88, 3.32, 27.55 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 70 + HB3 CYS 73 OK 100 100 100 100 2.5-5.0 2233=100, 2232/1.8=100...(22) HA3 GLY 75 + HB3 CYS 73 OK 74 78 100 95 7.1-8.1 ~9539=61, 7003/4.4=39...(8) HA LYS 86 - HB3 CYS 73 poor 20 99 20 - 7.9-10.7 HA ALA 46 - HB3 CYS 73 poor 19 93 20 - 6.6-10.1 HB2 SER 94 - HB3 CYS 73 far 12 81 15 - 7.7-11.2 HD2 PRO 81 - HB3 CYS 73 far 9 57 15 - 7.9-12.4 Violated in 0 structures by 0.00 A. Peak 2331 from cnoeabs.peaks (8.85, 3.32, 27.55 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB3 CYS 73 OK 100 100 100 100 2.3-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2332 from cnoeabs.peaks (4.38, 3.32, 27.55 ppm; 5.80 A): 1 out of 3 assignments used, quality = 1.00: * HA CYS 73 + HB3 CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 33 - HB3 CYS 73 far 0 96 0 - 7.8-16.2 HA ASP 78 - HB3 CYS 73 far 0 100 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2333 from cnoeabs.peaks (2.75, 3.32, 27.55 ppm; 4.67 A): 2 out of 5 assignments used, quality = 1.00: * HB2 CYS 73 + HB3 CYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TYR 76 + HB3 CYS 73 OK 66 97 70 98 3.9-8.3 ~11160=38, ~11137=38...(23) HB2 CYS 125 - HB3 CYS 73 far 5 96 5 - 6.2-9.3 HB3 ASP 78 - HB3 CYS 73 far 0 97 0 - 9.0-11.4 HB2 ASP 131 - HB3 CYS 73 far 0 73 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2334 from cnoeabs.peaks (3.32, 3.32, 27.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 73 + HB3 CYS 73 OK 100 100 - 100 Peak 2335 from cnoeabs.peaks (8.41, 3.32, 27.55 ppm; 5.83 A): 2 out of 4 assignments used, quality = 1.00: * H SER 74 + HB3 CYS 73 OK 100 100 100 100 2.4-4.1 4.4=100 H VAL 93 + HB3 CYS 73 OK 46 63 95 77 4.9-7.5 3.9/9581=65, 3.9/9579=19...(7) H ALA 34 - HB3 CYS 73 far 4 71 5 - 7.3-17.0 H ASP 35 - HB3 CYS 73 far 0 81 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 2336 from cnoeabs.peaks (8.41, 4.29, 61.42 ppm; 3.41 A): 1 out of 11 assignments used, quality = 1.00: * H SER 74 + HA SER 74 OK 100 100 100 100 2.7-2.9 2.9=100 H GLN 27 - HA THR 25 poor 15 80 35 55 3.7-6.0 10758/3.2=22...(9) H THR 65 - HA THR 25 far 0 61 0 - 5.1-21.6 H ASP 35 - HA THR 25 far 0 76 0 - 5.4-21.8 H VAL 93 - HA SER 74 far 0 63 0 - 5.7-7.0 H MET 11 - HA THR 25 far 0 96 0 - 5.7-25.5 H ALA 34 - HA SER 74 far 0 71 0 - 6.7-17.9 H ALA 34 - HA THR 25 far 0 66 0 - 7.3-20.1 H ASN 13 - HA THR 25 far 0 53 0 - 8.0-25.5 H ASP 35 - HA SER 74 far 0 81 0 - 8.8-18.1 H HIS 3 - HA THR 25 far 0 59 0 - 9.7-51.3 Violated in 0 structures by 0.00 A. Peak 2337 from cnoeabs.peaks (4.29, 4.29, 61.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 74 + HA SER 74 OK 100 100 - 100 HA THR 25 + HA THR 25 OK 98 98 - 100 Peak 2338 from cnoeabs.peaks (4.07, 4.29, 61.42 ppm; 3.71 A): 2 out of 8 assignments used, quality = 1.00: * HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.6-3.0 3.0=100 HB THR 65 - HA THR 25 far 0 98 0 - 5.4-22.8 HA GLU 44 - HA THR 25 far 0 80 0 - 6.3-28.3 HA PHE 89 - HA SER 74 far 0 87 0 - 7.5-8.9 HA GLU 102 - HA THR 25 far 0 84 0 - 8.5-30.2 HA ALA 92 - HA SER 74 far 0 83 0 - 9.0-10.3 HA LEU 96 - HA SER 74 far 0 68 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2339 from cnoeabs.peaks (4.07, 4.29, 61.42 ppm; 3.71 A): 2 out of 8 assignments used, quality = 1.00: HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.3-2.9 3.0=100 * HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.6-3.0 3.0=100 HB THR 65 - HA THR 25 far 0 98 0 - 5.4-22.8 HA GLU 44 - HA THR 25 far 0 78 0 - 6.3-28.3 HA PHE 89 - HA SER 74 far 0 89 0 - 7.5-8.9 HA GLU 102 - HA THR 25 far 0 82 0 - 8.5-30.2 HA ALA 92 - HA SER 74 far 0 81 0 - 9.0-10.3 HA LEU 96 - HA SER 74 far 0 65 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2340 from cnoeabs.peaks (7.79, 4.29, 61.42 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 75 + HA SER 74 OK 100 100 100 100 3.4-3.5 3.6=100 HD22 ASN 59 - HA THR 25 far 0 97 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 2341 from cnoeabs.peaks (4.42, 4.07, 62.61 ppm; 4.57 A): 2 out of 8 assignments used, quality = 0.99: HA ASP 71 + HB3 SER 74 OK 89 100 100 89 2.3-4.4 7004/3.9=57, 2283=50...(4) * HA ASP 71 + HB2 SER 74 OK 89 100 100 89 3.2-5.4 7004/3.9=57, 2283=50...(4) HA SER 33 - HB3 SER 74 far 8 85 10 - 4.7-16.8 HA SER 33 - HB2 SER 74 far 0 85 0 - 6.4-17.2 HA SER 9 - HB2 SER 74 far 0 78 0 - 7.2-46.8 HA SER 9 - HB3 SER 74 far 0 78 0 - 8.1-45.4 HA SER 107 - HB3 SER 74 far 0 63 0 - 8.2-17.5 HA SER 107 - HB2 SER 74 far 0 63 0 - 9.1-18.7 Violated in 0 structures by 0.00 A. Peak 2342 from cnoeabs.peaks (8.41, 4.07, 62.61 ppm; 3.87 A): 2 out of 8 assignments used, quality = 1.00: * H SER 74 + HB2 SER 74 OK 100 100 100 100 2.1-3.6 3.9=100 H SER 74 + HB3 SER 74 OK 100 100 100 100 2.1-3.4 3.9=100 H ALA 34 - HB3 SER 74 far 4 71 5 - 5.3-17.4 H VAL 93 - HB2 SER 74 far 0 63 0 - 6.6-8.3 H VAL 93 - HB3 SER 74 far 0 63 0 - 6.8-8.9 H ALA 34 - HB2 SER 74 far 0 71 0 - 6.9-18.4 H ASP 35 - HB3 SER 74 far 0 80 0 - 7.6-16.8 H ASP 35 - HB2 SER 74 far 0 81 0 - 9.2-17.9 Violated in 0 structures by 0.00 A. Peak 2343 from cnoeabs.peaks (4.29, 4.07, 62.61 ppm; 3.66 A): 3 out of 8 assignments used, quality = 1.00: * HA SER 74 + HB2 SER 74 OK 100 100 100 100 2.3-2.9 3.0=100 HA SER 74 + HB3 SER 74 OK 100 100 100 100 2.6-3.0 3.0=100 HA2 GLY 75 + HB3 SER 74 OK 28 65 65 66 4.4-5.8 2.9/7018=24, ~7018=15...(10) HA2 GLY 75 - HB2 SER 74 far 3 65 5 - 5.1-6.1 HA LYS 31 - HB3 SER 74 far 0 93 0 - 6.5-20.5 HA TYR 76 - HB3 SER 74 far 0 80 0 - 7.5-8.7 HA LYS 31 - HB2 SER 74 far 0 93 0 - 7.9-21.4 HA TYR 76 - HB2 SER 74 far 0 81 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 2344 from cnoeabs.peaks (4.07, 4.07, 62.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 Peak 2345 from cnoeabs.peaks (4.07, 4.07, 62.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 Reference assignment not found: HB3 SER 74 - HB2 SER 74 Peak 2346 from cnoeabs.peaks (7.79, 4.07, 62.61 ppm; 4.74 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 75 + HB2 SER 74 OK 100 100 100 100 3.4-4.4 4.6=100 H GLY 75 + HB3 SER 74 OK 100 100 100 100 3.0-4.0 4.6=100 Violated in 0 structures by 0.00 A. Peak 2347 from cnoeabs.peaks (4.42, 4.07, 62.61 ppm; 4.57 A): 2 out of 8 assignments used, quality = 0.99: * HA ASP 71 + HB3 SER 74 OK 89 100 100 89 2.3-4.4 7004/3.9=57, 2283=50...(4) HA ASP 71 + HB2 SER 74 OK 89 100 100 89 3.2-5.4 7004/3.9=57, 2283=50...(4) HA SER 33 - HB3 SER 74 far 8 85 10 - 4.7-16.8 HA SER 33 - HB2 SER 74 far 0 85 0 - 6.4-17.2 HA SER 9 - HB2 SER 74 far 0 78 0 - 7.2-46.8 HA SER 9 - HB3 SER 74 far 0 78 0 - 8.1-45.4 HA SER 107 - HB3 SER 74 far 0 63 0 - 8.2-17.5 HA SER 107 - HB2 SER 74 far 0 63 0 - 9.1-18.7 Violated in 0 structures by 0.00 A. Peak 2348 from cnoeabs.peaks (8.41, 4.07, 62.61 ppm; 3.87 A): 2 out of 8 assignments used, quality = 1.00: * H SER 74 + HB3 SER 74 OK 100 100 100 100 2.1-3.4 3.9=100 H SER 74 + HB2 SER 74 OK 100 100 100 100 2.1-3.6 3.9=100 H ALA 34 - HB3 SER 74 far 4 71 5 - 5.3-17.4 H VAL 93 - HB2 SER 74 far 0 63 0 - 6.6-8.3 H VAL 93 - HB3 SER 74 far 0 63 0 - 6.8-8.9 H ALA 34 - HB2 SER 74 far 0 71 0 - 6.9-18.4 H ASP 35 - HB3 SER 74 far 0 81 0 - 7.6-16.8 H ASP 35 - HB2 SER 74 far 0 80 0 - 9.2-17.9 Violated in 0 structures by 0.00 A. Peak 2349 from cnoeabs.peaks (4.29, 4.07, 62.61 ppm; 3.66 A): 3 out of 8 assignments used, quality = 1.00: * HA SER 74 + HB3 SER 74 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 74 + HB2 SER 74 OK 100 100 100 100 2.3-2.9 3.0=100 HA2 GLY 75 + HB3 SER 74 OK 28 65 65 66 4.4-5.8 2.9/7019=24, ~7018=15...(10) HA2 GLY 75 - HB2 SER 74 far 3 65 5 - 5.1-6.1 HA LYS 31 - HB3 SER 74 far 0 93 0 - 6.5-20.5 HA TYR 76 - HB3 SER 74 far 0 81 0 - 7.5-8.7 HA LYS 31 - HB2 SER 74 far 0 93 0 - 7.9-21.4 HA TYR 76 - HB2 SER 74 far 0 80 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 2350 from cnoeabs.peaks (4.07, 4.07, 62.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 Reference assignment not found: HB2 SER 74 - HB3 SER 74 Peak 2351 from cnoeabs.peaks (4.07, 4.07, 62.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 Peak 2352 from cnoeabs.peaks (7.79, 4.07, 62.61 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 75 + HB3 SER 74 OK 100 100 100 100 3.0-4.0 4.6=100 H GLY 75 + HB2 SER 74 OK 100 100 100 100 3.4-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 2353 from cnoeabs.peaks (7.79, 4.32, 45.60 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + HA2 GLY 75 OK 100 100 100 100 2.3-2.5 2.9=100 Violated in 0 structures by 0.00 A. Peak 2354 from cnoeabs.peaks (4.32, 4.32, 45.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 75 + HA2 GLY 75 OK 100 100 - 100 Peak 2355 from cnoeabs.peaks (3.90, 4.32, 45.60 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 75 + HA2 GLY 75 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 33 - HA2 GLY 75 far 10 99 10 - 2.8-17.9 HA LEU 70 - HA2 GLY 75 far 0 78 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 2356 from cnoeabs.peaks (8.04, 4.32, 45.60 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 76 + HA2 GLY 75 OK 100 100 100 100 2.6-3.2 3.5=100 H CYS 79 - HA2 GLY 75 poor 19 100 20 93 5.9-7.3 9697/9603=36...(11) H ALA 16 - HA2 GLY 75 far 0 95 0 - 8.9-38.7 Violated in 0 structures by 0.00 A. Peak 2357 from cnoeabs.peaks (7.79, 3.90, 45.60 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + HA3 GLY 75 OK 100 100 100 100 2.9-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 2358 from cnoeabs.peaks (4.32, 3.90, 45.60 ppm; 3.28 A): 3 out of 4 assignments used, quality = 1.00: * HA2 GLY 75 + HA3 GLY 75 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 74 + HA3 GLY 75 OK 52 65 100 79 4.5-4.7 4.9=29, ~7014=17...(14) HA TYR 76 + HA3 GLY 75 OK 49 99 70 71 4.7-4.9 4.9=29, 7020/2.9=13...(13) HA LEU 69 - HA3 GLY 75 far 0 95 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 2359 from cnoeabs.peaks (3.90, 3.90, 45.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 75 + HA3 GLY 75 OK 100 100 - 100 Peak 2360 from cnoeabs.peaks (8.04, 3.90, 45.60 ppm; 5.03 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 76 + HA3 GLY 75 OK 100 100 100 100 3.3-3.6 3.5=100 H CYS 79 + HA3 GLY 75 OK 66 100 80 83 5.4-6.9 11162/4.9=39...(6) H ALA 16 - HA3 GLY 75 far 0 95 0 - 9.1-40.4 Violated in 0 structures by 0.00 A. Peak 2361 from cnoeabs.peaks (8.04, 4.31, 59.97 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 76 + HA TYR 76 OK 100 100 100 100 2.7-2.9 3.0=100 H CYS 79 + HA TYR 76 OK 96 100 100 96 3.2-3.7 11162=44, 7035/3.6=30...(18) Violated in 0 structures by 0.00 A. Peak 2362 from cnoeabs.peaks (4.31, 4.31, 59.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 76 + HA TYR 76 OK 100 100 - 100 Peak 2363 from cnoeabs.peaks (2.76, 4.31, 59.97 ppm; 4.79 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 76 + HA TYR 76 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ASP 78 + HA TYR 76 OK 70 81 100 87 4.7-5.4 4.3/11162=40...(10) HB3 ASP 35 - HA TYR 76 far 0 98 0 - 6.4-17.5 HB2 CYS 73 - HA TYR 76 far 0 97 0 - 6.7-8.6 Violated in 0 structures by 0.00 A. Peak 2364 from cnoeabs.peaks (3.13, 4.31, 59.97 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + HA TYR 76 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2365 from cnoeabs.peaks (6.50, 4.31, 59.97 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 76 + HA TYR 76 OK 100 100 100 100 2.0-3.4 3.1=100 QE TYR 76 + HA TYR 76 OK 53 57 100 93 4.4-5.2 4.7=62, ~7030=32...(15) Violated in 0 structures by 0.00 A. Peak 2366 from cnoeabs.peaks (6.47, 4.31, 59.97 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * QE TYR 76 + HA TYR 76 OK 100 100 100 100 4.4-5.2 4.7=100 QD TYR 76 + HA TYR 76 OK 57 57 100 100 2.0-3.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 2367 from cnoeabs.peaks (7.54, 4.31, 59.97 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 77 + HA TYR 76 OK 100 100 100 100 3.3-3.6 3.6=100 H GLN 82 - HA TYR 76 far 0 95 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 2368 from cnoeabs.peaks (8.04, 2.76, 40.72 ppm; 4.55 A): 3 out of 5 assignments used, quality = 1.00: * H TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.3-3.3 3.8=100 H CYS 79 + HB2 TYR 76 OK 96 100 100 96 4.9-5.7 11162/3.0=46...(16) H SER 130 + HB2 ASP 131 OK 73 74 100 98 4.5-5.9 7891/7903=67...(18) H SER 130 - HB2 TYR 76 far 0 99 0 - 7.5-11.9 H CYS 125 - HB2 ASP 131 far 0 78 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 2369 from cnoeabs.peaks (4.31, 2.76, 40.72 ppm; 3.95 A): 3 out of 8 assignments used, quality = 1.00: * HA TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.2-3.0 3.0=100 HA ASP 131 + HB2 ASP 131 OK 77 77 100 100 2.6-3.0 3.0=100 HA2 GLY 75 + HB2 TYR 76 OK 76 99 80 96 4.9-5.7 4.9=53, 3.5/7028=40...(19) HA SER 74 - HB2 TYR 76 far 0 81 0 - 5.6-8.0 HA THR 18 - HB2 TYR 76 far 0 83 0 - 6.9-34.3 HA LEU 69 - HB2 TYR 76 far 0 85 0 - 7.2-9.0 HA PRO 81 - HB2 TYR 76 far 0 71 0 - 9.3-11.4 HA ALA 12 - HB2 TYR 76 far 0 65 0 - 9.7-39.2 Violated in 0 structures by 0.00 A. Peak 2370 from cnoeabs.peaks (2.76, 2.76, 40.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 TYR 76 + HB2 TYR 76 OK 100 100 - 100 HB2 ASP 131 + HB2 ASP 131 OK 69 69 - 100 Peak 2371 from cnoeabs.peaks (3.13, 2.76, 40.72 ppm; 4.74 A): 1 out of 6 assignments used, quality = 1.00: * HB3 TYR 76 + HB2 TYR 76 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 3 - HB2 ASP 131 far 0 52 0 - 8.5-72.1 HB3 CYS 45 - HB2 TYR 76 far 0 100 0 - 8.5-12.4 HB2 HIS 4 - HB2 ASP 131 far 0 50 0 - 8.8-70.9 HB2 HIS 6 - HB2 ASP 131 far 0 48 0 - 9.7-63.9 HB2 HIS 7 - HB2 ASP 131 far 0 61 0 - 9.7-61.4 Violated in 0 structures by 0.00 A. Peak 2372 from cnoeabs.peaks (6.50, 2.76, 40.72 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: * QD TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.3-2.8 2.6=100 QE TYR 76 + HB2 TYR 76 OK 57 57 100 100 4.4-4.5 4.5=100 QE TYR 76 - HB2 ASP 131 far 0 38 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 2373 from cnoeabs.peaks (6.47, 2.76, 40.72 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * QE TYR 76 + HB2 TYR 76 OK 100 100 100 100 4.4-4.5 4.5=100 QD TYR 76 + HB2 TYR 76 OK 57 57 100 100 2.3-2.8 2.6=100 QE TYR 76 - HB2 ASP 131 far 0 78 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 2374 from cnoeabs.peaks (7.54, 2.76, 40.72 ppm; 6.62 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 77 + HB2 TYR 76 OK 100 100 100 100 2.4-4.5 4.5=100 H GLN 82 - HB2 TYR 76 far 0 95 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 2375 from cnoeabs.peaks (8.04, 3.13, 40.72 ppm; 4.68 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 76 + HB3 TYR 76 OK 100 100 100 100 2.1-2.8 3.8=100 H CYS 79 + HB3 TYR 76 OK 94 100 100 94 5.1-5.7 11162/3.0=48...(14) H SER 130 - HB3 TYR 76 far 0 99 0 - 8.0-10.6 Violated in 0 structures by 0.00 A. Peak 2376 from cnoeabs.peaks (4.31, 3.13, 40.72 ppm; 4.61 A): 2 out of 6 assignments used, quality = 1.00: * HA TYR 76 + HB3 TYR 76 OK 100 100 100 100 2.4-3.0 3.0=100 HA2 GLY 75 + HB3 TYR 76 OK 99 99 100 99 4.6-5.4 4.9=83, 3.5/7029=71...(13) HA SER 74 - HB3 TYR 76 poor 16 81 25 78 5.7-7.4 3.6/9585=35...(11) HA LEU 69 - HB3 TYR 76 far 0 85 0 - 6.9-8.5 HA THR 18 - HB3 TYR 76 far 0 83 0 - 8.5-34.2 HA PRO 81 - HB3 TYR 76 far 0 71 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (2.76, 3.13, 40.72 ppm; 4.46 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 76 + HB3 TYR 76 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 CYS 73 + HB3 TYR 76 OK 57 97 60 98 4.2-7.4 3.0/11160=46, ~11126=27...(21) HB3 ASP 78 - HB3 TYR 76 far 0 81 0 - 6.7-7.6 HB3 ASP 35 - HB3 TYR 76 far 0 98 0 - 7.3-16.9 Violated in 0 structures by 0.00 A. Peak 2378 from cnoeabs.peaks (3.13, 3.13, 40.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + HB3 TYR 76 OK 100 100 - 100 Peak 2379 from cnoeabs.peaks (6.50, 3.13, 40.72 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 76 + HB3 TYR 76 OK 100 100 100 100 2.3-2.7 2.6=100 QE TYR 76 + HB3 TYR 76 OK 57 57 100 100 4.4-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 2380 from cnoeabs.peaks (6.47, 3.13, 40.72 ppm; 5.79 A): 2 out of 2 assignments used, quality = 1.00: * QE TYR 76 + HB3 TYR 76 OK 100 100 100 100 4.4-4.5 4.5=100 QD TYR 76 + HB3 TYR 76 OK 57 57 100 100 2.3-2.7 2.6=100 Violated in 0 structures by 0.00 A. Peak 2381 from cnoeabs.peaks (7.54, 3.13, 40.72 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 77 + HB3 TYR 76 OK 100 100 100 100 2.6-4.3 4.5=100 H GLN 82 - HB3 TYR 76 far 0 95 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 2382 from cnoeabs.peaks (7.54, 3.45, 65.53 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 77 + HA VAL 77 OK 100 100 100 100 2.7-2.8 3.0=100 H GLN 82 - HA VAL 77 far 0 95 0 - 7.1-10.5 Violated in 0 structures by 0.00 A. Peak 2383 from cnoeabs.peaks (3.45, 3.45, 65.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 77 + HA VAL 77 OK 100 100 - 100 Peak 2384 from cnoeabs.peaks (2.33, 3.45, 65.53 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 77 + HA VAL 77 OK 100 100 100 100 2.5-2.7 3.0=100 HG3 GLU 30 - HA VAL 77 far 0 100 0 - 9.9-27.9 Violated in 0 structures by 0.00 A. Peak 2385 from cnoeabs.peaks (1.06, 3.45, 65.53 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 77 + HA VAL 77 OK 100 100 100 100 3.1-3.2 3.2=100 QG2 VAL 133 - HA VAL 77 far 0 83 0 - 5.8-8.2 Violated in 0 structures by 0.00 A. Peak 2386 from cnoeabs.peaks (1.18, 3.45, 65.53 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 77 + HA VAL 77 OK 100 100 100 100 1.9-2.1 3.2=100 QG2 THR 18 - HA VAL 77 far 0 97 0 - 8.4-32.9 QB ALA 41 - HA VAL 77 far 0 97 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (7.58, 3.45, 65.53 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 78 + HA VAL 77 OK 100 100 100 100 3.4-3.5 3.6=100 H GLN 82 - HA VAL 77 far 0 68 0 - 7.1-10.5 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (7.54, 2.33, 31.62 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 77 + HB VAL 77 OK 100 100 100 100 2.1-2.4 7042=100, 7043/2.1=76...(21) H GLN 82 - HB VAL 77 far 0 95 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 2389 from cnoeabs.peaks (3.45, 2.33, 31.62 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 77 + HB VAL 77 OK 100 100 100 100 2.5-2.7 3.0=100 HA ILE 129 - HB VAL 77 far 0 93 0 - 7.0-9.4 HA VAL 126 - HB VAL 77 far 0 93 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 2390 from cnoeabs.peaks (2.33, 2.33, 31.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 77 + HB VAL 77 OK 100 100 - 100 Peak 2391 from cnoeabs.peaks (1.06, 2.33, 31.62 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 77 + HB VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 133 - HB VAL 77 far 0 83 0 - 7.1-9.6 Violated in 0 structures by 0.00 A. Peak 2392 from cnoeabs.peaks (1.18, 2.33, 31.62 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 77 + HB VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 32 - HB VAL 77 far 0 85 0 - 9.8-21.3 QG2 THR 18 - HB VAL 77 far 0 97 0 - 9.9-32.4 Violated in 0 structures by 0.00 A. Peak 2393 from cnoeabs.peaks (7.58, 2.33, 31.62 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 78 + HB VAL 77 OK 100 100 100 100 3.7-3.9 7051=100, 7052/2.1=93...(22) H GLN 82 - HB VAL 77 far 0 68 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 2394 from cnoeabs.peaks (7.54, 1.06, 19.25 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 77 + QG1 VAL 77 OK 100 100 100 100 2.4-3.0 7043=100, 7042/2.1=70...(25) H GLN 82 - QG1 VAL 77 far 0 95 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 2395 from cnoeabs.peaks (3.45, 1.06, 19.25 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 77 + QG1 VAL 77 OK 100 100 100 100 3.1-3.2 3.2=100 HA ILE 129 - QG1 VAL 77 far 0 93 0 - 7.7-9.4 HA VAL 126 - QG1 VAL 77 far 0 93 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2396 from cnoeabs.peaks (2.33, 1.06, 19.25 ppm; 2.97 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 77 + QG1 VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 GLU 30 - QG1 VAL 77 far 0 100 0 - 5.4-24.4 Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (1.06, 1.06, 19.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 77 + QG1 VAL 77 OK 100 100 - 100 Peak 2398 from cnoeabs.peaks (1.18, 1.06, 19.25 ppm; 2.66 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 77 + QG1 VAL 77 OK 100 100 100 100 2.0-2.1 2.1=100 HG12 ILE 32 - QG1 VAL 77 far 0 85 0 - 7.9-19.6 QG2 THR 18 - QG1 VAL 77 far 0 97 0 - 8.4-28.5 QB ALA 41 - QG1 VAL 77 far 0 97 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 2399 from cnoeabs.peaks (7.58, 1.06, 19.25 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 78 + QG1 VAL 77 OK 100 100 100 100 2.2-2.7 7052=100, 7051/2.1=53...(23) H GLN 82 - QG1 VAL 77 far 0 68 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (7.54, 1.18, 22.07 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 77 + QG2 VAL 77 OK 100 100 100 100 3.5-3.7 7044=100, 7043/2.1=80...(23) H GLN 82 - QG2 VAL 77 far 0 95 0 - 6.7-9.3 Violated in 4 structures by 0.01 A. Peak 2401 from cnoeabs.peaks (3.45, 1.18, 22.07 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 77 + QG2 VAL 77 OK 100 100 100 100 1.9-2.1 3.2=100 HA ILE 129 - QG2 VAL 77 far 0 93 0 - 5.6-7.2 HA VAL 126 - QG2 VAL 77 far 0 93 0 - 7.8-9.3 HA LEU 42 - QG2 VAL 77 far 0 63 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 2402 from cnoeabs.peaks (2.33, 1.18, 22.07 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 77 + QG2 VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 GLU 30 - QG2 VAL 77 far 0 100 0 - 7.5-23.8 Violated in 0 structures by 0.00 A. Peak 2403 from cnoeabs.peaks (1.06, 1.18, 22.07 ppm; 2.72 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 77 + QG2 VAL 77 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 133 - QG2 VAL 77 far 0 83 0 - 6.1-7.6 Violated in 0 structures by 0.00 A. Peak 2404 from cnoeabs.peaks (1.18, 1.18, 22.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 77 + QG2 VAL 77 OK 100 100 - 100 Peak 2405 from cnoeabs.peaks (7.58, 1.18, 22.07 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 78 + QG2 VAL 77 OK 100 100 100 100 4.0-4.3 7053=100, 7052/2.1=95...(27) H GLN 82 - QG2 VAL 77 far 0 68 0 - 6.7-9.3 Violated in 14 structures by 0.05 A. Peak 2406 from cnoeabs.peaks (7.58, 4.38, 55.75 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 78 + HA ASP 78 OK 100 100 100 100 2.8-2.9 2.9=100 H GLN 82 - HA ASP 78 far 0 68 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 2407 from cnoeabs.peaks (4.38, 4.38, 55.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 78 + HA ASP 78 OK 100 100 - 100 Peak 2408 from cnoeabs.peaks (2.51, 4.38, 55.75 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 78 + HA ASP 78 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 MET 11 - HA ASP 78 far 0 97 0 - 7.7-45.4 Violated in 0 structures by 0.00 A. Peak 2409 from cnoeabs.peaks (2.74, 4.38, 55.75 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 78 + HA ASP 78 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 TYR 76 - HA ASP 78 far 0 81 0 - 7.4-8.2 HB2 CYS 73 - HA ASP 78 far 0 97 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2410 from cnoeabs.peaks (8.04, 4.38, 55.75 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 79 + HA ASP 78 OK 100 100 100 100 3.1-3.5 3.6=100 H TYR 76 - HA ASP 78 far 0 100 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 2411 from cnoeabs.peaks (7.58, 2.51, 39.87 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 78 + HB2 ASP 78 OK 100 100 100 100 2.3-2.9 7055=100, 7056/1.8=81...(7) Violated in 0 structures by 0.00 A. Peak 2412 from cnoeabs.peaks (4.38, 2.51, 39.87 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 78 + HB2 ASP 78 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 9 - HB2 ASP 78 far 5 97 5 - 3.3-48.9 HA SER 33 - HB2 ASP 78 far 5 95 5 - 5.1-22.6 HA CYS 73 - HB2 ASP 78 far 0 100 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 2413 from cnoeabs.peaks (2.51, 2.51, 39.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 78 + HB2 ASP 78 OK 100 100 - 100 Peak 2414 from cnoeabs.peaks (2.74, 2.51, 39.87 ppm; 2.98 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 78 + HB2 ASP 78 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TYR 76 - HB2 ASP 78 far 0 81 0 - 6.7-7.4 HB3 ASP 35 - HB2 ASP 78 far 0 96 0 - 7.7-21.6 HB2 CYS 73 - HB2 ASP 78 far 0 97 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 2415 from cnoeabs.peaks (8.04, 2.51, 39.87 ppm; 4.84 A): 2 out of 3 assignments used, quality = 1.00: * H CYS 79 + HB2 ASP 78 OK 100 100 100 100 2.8-4.2 4.3=100 H TYR 76 + HB2 ASP 78 OK 77 100 80 97 5.5-6.6 7033/7055=67...(9) H ALA 16 - HB2 ASP 78 far 0 95 0 - 9.0-43.8 Violated in 0 structures by 0.00 A. Peak 2416 from cnoeabs.peaks (7.58, 2.74, 39.87 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 78 + HB3 ASP 78 OK 100 100 100 100 2.2-3.0 7056=100, 7055/1.8=86...(11) HE22 GLN 61 - HB2 ASP 64 far 0 59 0 - 5.9-8.6 HD21 ASN 13 - HB2 ASP 64 far 0 73 0 - 6.8-34.3 H ASP 78 - HB3 ASP 35 far 0 56 0 - 8.1-20.8 HD21 ASN 13 - HB3 ASP 35 far 0 48 0 - 8.5-37.5 Violated in 0 structures by 0.00 A. Peak 2417 from cnoeabs.peaks (4.38, 2.74, 39.87 ppm; 3.60 A): 1 out of 8 assignments used, quality = 1.00: * HA ASP 78 + HB3 ASP 78 OK 100 100 100 100 2.5-3.0 3.0=100 HA SER 9 - HB3 ASP 78 far 5 97 5 - 3.8-48.8 HA SER 33 - HB3 ASP 35 far 0 49 0 - 5.3-7.4 HA SER 33 - HB3 ASP 78 far 0 95 0 - 5.4-22.6 HA SER 107 - HB2 ASP 64 far 0 83 0 - 5.8-15.7 HA SER 33 - HB2 ASP 64 far 0 74 0 - 7.0-20.5 HA CYS 73 - HB3 ASP 78 far 0 100 0 - 7.8-9.7 HA CYS 73 - HB3 ASP 35 far 0 56 0 - 9.5-16.9 Violated in 0 structures by 0.00 A. Peak 2418 from cnoeabs.peaks (2.51, 2.74, 39.87 ppm; 2.96 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASP 78 + HB3 ASP 78 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 44 - HB3 ASP 35 far 0 56 0 - 6.1-17.1 HG3 MET 11 - HB3 ASP 78 far 0 97 0 - 6.3-44.7 HB2 ASP 78 - HB3 ASP 35 far 0 56 0 - 7.7-21.6 HG3 MET 11 - HB3 ASP 35 far 0 51 0 - 9.2-35.2 Violated in 0 structures by 0.00 A. Peak 2419 from cnoeabs.peaks (2.74, 2.74, 39.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASP 78 + HB3 ASP 78 OK 100 100 - 100 HB2 ASP 64 + HB2 ASP 64 OK 74 74 - 100 HB3 ASP 35 + HB3 ASP 35 OK 50 50 - 100 Peak 2420 from cnoeabs.peaks (8.04, 2.74, 39.87 ppm; 4.69 A): 2 out of 10 assignments used, quality = 1.00: * H CYS 79 + HB3 ASP 78 OK 100 100 100 100 3.7-4.2 4.3=100 H TYR 76 + HB3 ASP 78 OK 86 100 90 95 5.2-6.8 7033/7056=62...(12) H VAL 20 - HB3 ASP 35 far 0 40 0 - 6.2-33.5 H TYR 76 - HB3 ASP 35 far 0 56 0 - 6.7-17.1 H ALA 16 - HB3 ASP 35 far 0 49 0 - 7.1-35.3 H ALA 16 - HB2 ASP 64 far 0 74 0 - 7.5-33.0 H CYS 79 - HB3 ASP 35 far 0 56 0 - 8.3-20.9 H ALA 16 - HB3 ASP 78 far 0 95 0 - 9.3-44.2 H LEU 48 - HB2 ASP 64 far 0 83 0 - 9.7-13.4 H ALA 52 - HB2 ASP 64 far 0 72 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2421 from cnoeabs.peaks (8.04, 4.11, 58.55 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * H CYS 79 + HA CYS 79 OK 100 100 100 100 2.9-2.9 2.9=100 H CYS 79 + HA ILE 80 OK 57 58 100 98 4.1-4.5 7066/3.0=61, 7063=45...(24) H TYR 76 - HA ILE 80 far 0 58 0 - 6.8-8.9 H TYR 76 - HA CYS 79 far 0 100 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 2422 from cnoeabs.peaks (4.11, 4.11, 58.55 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA CYS 79 + HA CYS 79 OK 100 100 - 100 HA GLN 101 + HA GLN 101 OK 84 84 - 100 HA ILE 80 + HA ILE 80 OK 43 43 - 100 Peak 2423 from cnoeabs.peaks (1.84, 4.11, 58.55 ppm; 4.04 A): 3 out of 7 assignments used, quality = 1.00: * HB2 CYS 79 + HA CYS 79 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LEU 100 + HA GLN 101 OK 66 69 100 96 4.0-5.1 1.8/10048=37...(21) HB2 CYS 79 + HA ILE 80 OK 56 58 100 97 4.2-5.4 2427=43, 11214/3.2=42...(19) HB3 LYS 26 - HA GLN 101 far 3 63 5 - 5.1-25.3 HB3 ARG 135 - HA ILE 80 far 0 40 0 - 6.2-11.8 HB ILE 32 - HA GLN 101 far 0 61 0 - 9.4-19.9 HB VAL 93 - HA ILE 80 far 0 53 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (2.61, 4.11, 58.55 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HB3 CYS 79 + HA CYS 79 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 CYS 79 + HA ILE 80 OK 30 58 55 96 4.4-5.8 11166/3.0=35...(20) HB2 ASP 71 - HA GLN 101 far 0 69 0 - 6.6-12.6 Violated in 0 structures by 0.00 A. Peak 2425 from cnoeabs.peaks (6.96, 4.11, 58.55 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 80 + HA CYS 79 OK 100 100 100 100 3.1-3.5 3.6=100 H ILE 80 + HA ILE 80 OK 58 58 100 100 2.7-2.8 3.0=100 HE21 GLN 104 - HA GLN 101 far 12 80 15 - 3.9-10.6 HE21 GLN 82 - HA ILE 80 far 0 43 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 2426 from cnoeabs.peaks (8.04, 1.84, 27.19 ppm; 4.47 A): 2 out of 3 assignments used, quality = 1.00: * H CYS 79 + HB2 CYS 79 OK 100 100 100 100 2.4-3.6 3.9=100 H TYR 76 + HB2 CYS 79 OK 24 100 30 79 5.3-7.5 6.5/9706=26, ~11911=24...(9) H VAL 20 - HB2 CYS 79 far 0 83 0 - 9.8-36.6 Violated in 0 structures by 0.00 A. Peak 2427 from cnoeabs.peaks (4.11, 1.84, 27.19 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * HA CYS 79 + HB2 CYS 79 OK 100 100 100 100 2.7-3.0 3.0=100 HA ILE 80 + HB2 CYS 79 OK 83 85 100 98 4.2-5.4 3.2/11214=48, ~11166=35...(20) Violated in 0 structures by 0.00 A. Peak 2428 from cnoeabs.peaks (1.84, 1.84, 27.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 79 + HB2 CYS 79 OK 100 100 - 100 Peak 2429 from cnoeabs.peaks (2.61, 1.84, 27.19 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 79 + HB2 CYS 79 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2430 from cnoeabs.peaks (6.96, 1.84, 27.19 ppm; 6.47 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 80 + HB2 CYS 79 OK 100 100 100 100 2.9-4.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 2431 from cnoeabs.peaks (8.04, 2.61, 27.19 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 79 + HB3 CYS 79 OK 100 100 100 100 2.4-3.8 3.9=100 H TYR 76 - HB3 CYS 79 far 5 100 5 - 5.6-8.1 H VAL 20 - HB3 CYS 79 far 0 83 0 - 10.0-37.5 Violated in 0 structures by 0.00 A. Peak 2432 from cnoeabs.peaks (4.11, 2.61, 27.19 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HA CYS 79 + HB3 CYS 79 OK 100 100 100 100 2.4-3.0 3.0=100 HA ILE 80 + HB3 CYS 79 OK 45 85 55 96 4.4-5.8 3.0/11166=38...(20) Violated in 0 structures by 0.00 A. Peak 2433 from cnoeabs.peaks (1.84, 2.61, 27.19 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 79 + HB3 CYS 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 32 - HB3 CYS 79 far 0 81 0 - 9.5-21.7 HB3 ARG 135 - HB3 CYS 79 far 0 81 0 - 9.9-17.3 Violated in 0 structures by 0.00 A. Peak 2434 from cnoeabs.peaks (2.61, 2.61, 27.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 79 + HB3 CYS 79 OK 100 100 - 100 Peak 2435 from cnoeabs.peaks (6.96, 2.61, 27.19 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 80 + HB3 CYS 79 OK 100 100 100 100 3.9-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 2436 from cnoeabs.peaks (6.96, 4.12, 58.67 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 80 + HA ILE 80 OK 100 100 100 100 2.7-2.8 3.0=100 H ILE 80 + HA CYS 79 OK 58 58 100 100 3.1-3.5 3.6=100 HE21 GLN 82 - HA ILE 80 far 0 85 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 2437 from cnoeabs.peaks (4.12, 4.12, 58.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 80 + HA ILE 80 OK 100 100 - 100 HA CYS 79 + HA CYS 79 OK 43 43 - 100 Peak 2438 from cnoeabs.peaks (1.74, 4.12, 58.67 ppm; 5.23 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 80 + HA ILE 80 OK 100 100 100 100 2.4-2.9 3.0=100 HB ILE 80 + HA CYS 79 OK 58 58 100 100 4.9-6.5 7073/3.6=90, 9700/2.9=79...(29) HD3 LYS 39 - HA ILE 80 poor 18 73 25 - 4.8-9.8 HB2 LYS 39 - HA ILE 80 poor 9 73 30 42 4.6-11.1 11767/11758=27...(7) HB2 LYS 39 - HA CYS 79 far 0 36 0 - 6.9-11.8 HG3 ARG 90 - HA ILE 80 far 0 100 0 - 7.1-12.4 HG2 ARG 135 - HA ILE 80 far 0 65 0 - 7.2-12.2 HD3 LYS 39 - HA CYS 79 far 0 36 0 - 7.7-12.3 HG13 ILE 129 - HA ILE 80 far 0 99 0 - 8.8-11.0 HG3 ARG 90 - HA CYS 79 far 0 57 0 - 9.0-12.8 HB2 LEU 43 - HA ILE 80 far 0 97 0 - 9.4-13.9 Violated in 0 structures by 0.00 A. Peak 2439 from cnoeabs.peaks (0.81, 4.12, 58.67 ppm; 4.24 A): 4 out of 8 assignments used, quality = 1.00: * QG2 ILE 80 + HA ILE 80 OK 100 100 100 100 2.2-3.0 3.2=100 HG13 ILE 80 + HA ILE 80 OK 97 97 100 100 2.2-4.0 4.1=100 QG2 ILE 80 + HA CYS 79 OK 58 58 100 100 4.9-5.4 2451=46, 11212/3.0=45...(30) QG1 VAL 133 + HA ILE 80 OK 41 76 60 89 4.2-6.4 10586/4.2=29...(21) HG13 ILE 80 - HA CYS 79 far 8 54 15 - 4.6-7.0 QG2 ILE 129 - HA ILE 80 far 0 99 0 - 6.0-7.4 QG1 VAL 133 - HA CYS 79 far 0 37 0 - 7.9-10.3 QG2 ILE 129 - HA CYS 79 far 0 55 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (1.21, 4.12, 58.67 ppm; 6.21 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 80 + HA ILE 80 OK 100 100 100 100 2.4-4.3 4.1=100 HG12 ILE 80 + HA CYS 79 OK 58 58 100 100 4.2-7.4 7075/3.6=98, ~9699=71...(20) QG2 THR 83 - HA CYS 79 far 0 28 0 - 7.7-10.0 QG2 THR 83 - HA ILE 80 far 0 60 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 2441 from cnoeabs.peaks (0.82, 4.12, 58.67 ppm; 4.50 A): 4 out of 8 assignments used, quality = 1.00: * HG13 ILE 80 + HA ILE 80 OK 100 100 100 100 2.2-4.0 4.1=100 QG2 ILE 80 + HA ILE 80 OK 97 97 100 100 2.2-3.0 3.2=100 QG1 VAL 133 + HA ILE 80 OK 71 95 80 94 4.2-6.4 10586/4.2=46...(21) QG2 ILE 80 + HA CYS 79 OK 53 54 100 100 4.9-5.4 11212/3.0=49, 2451=44...(31) HG13 ILE 80 - HA CYS 79 poor 15 58 25 - 4.6-7.0 QG2 ILE 129 - HA ILE 80 far 5 100 5 - 6.0-7.4 QG1 VAL 133 - HA CYS 79 far 0 51 0 - 7.9-10.3 QG2 ILE 129 - HA CYS 79 far 0 58 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 2442 from cnoeabs.peaks (0.27, 4.12, 58.67 ppm; 6.46 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 80 + HA ILE 80 OK 100 100 100 100 2.2-4.1 4.2=100 QD1 ILE 80 + HA CYS 79 OK 58 58 100 100 3.5-6.7 7077/3.6=99, 9699/2.9=86...(20) QG2 VAL 93 - HA ILE 80 poor 10 83 50 23 7.2-9.0 9689/9687=11...(3) QG2 VAL 93 - HA CYS 79 far 0 42 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 2443 from cnoeabs.peaks (6.96, 1.74, 38.49 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HB ILE 80 OK 100 100 100 100 2.1-3.6 3.9=100 HE21 GLN 82 - HB ILE 80 far 0 85 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 2444 from cnoeabs.peaks (4.12, 1.74, 38.49 ppm; 5.82 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 80 + HB ILE 80 OK 100 100 100 100 2.4-2.9 3.0=100 HA CYS 79 + HB ILE 80 OK 85 85 100 100 4.9-6.5 3.6/7073=97, 2.9/9700=85...(29) Violated in 0 structures by 0.00 A. Peak 2445 from cnoeabs.peaks (1.74, 1.74, 38.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HB ILE 80 OK 100 100 - 100 Peak 2446 from cnoeabs.peaks (0.81, 1.74, 38.49 ppm; 3.71 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HB ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 80 + HB ILE 80 OK 97 97 100 100 2.3-3.0 3.0=100 QG1 VAL 133 - HB ILE 80 poor 15 76 20 - 4.4-7.6 QG2 ILE 129 - HB ILE 80 far 0 99 0 - 5.6-7.4 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (1.21, 1.74, 38.49 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 80 + HB ILE 80 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 THR 83 - HB ILE 80 poor 7 60 45 25 5.8-7.2 2454/2.1=11...(5) Violated in 0 structures by 0.00 A. Peak 2448 from cnoeabs.peaks (0.82, 1.74, 38.49 ppm; 4.56 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 80 + HB ILE 80 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 ILE 80 + HB ILE 80 OK 97 97 100 100 2.1-2.1 2.1=100 QG1 VAL 133 + HB ILE 80 OK 42 95 45 100 4.4-7.6 10586/3.2=57, ~10588=45...(35) QG2 ILE 129 - HB ILE 80 poor 20 100 20 - 5.6-7.4 Violated in 0 structures by 0.00 A. Peak 2449 from cnoeabs.peaks (0.27, 1.74, 38.49 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 80 + HB ILE 80 OK 100 100 100 100 2.3-3.2 3.2=100 QG2 VAL 93 - HB ILE 80 far 0 83 0 - 6.7-8.0 Violated in 0 structures by 0.00 A. Peak 2450 from cnoeabs.peaks (6.96, 0.81, 17.22 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 80 + QG2 ILE 80 OK 100 100 100 100 1.8-3.5 4.0=100 HE21 GLN 82 - QG2 ILE 80 far 0 85 0 - 6.5-11.1 H ILE 80 - QG2 ILE 129 far 0 70 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 2451 from cnoeabs.peaks (4.12, 0.81, 17.22 ppm; 3.98 A): 2 out of 5 assignments used, quality = 1.00: * HA ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.2-3.0 3.2=100 HA CYS 79 + QG2 ILE 80 OK 84 85 100 99 4.9-5.4 3.0/11212=39...(30) HA ILE 80 - QG2 ILE 129 far 0 70 0 - 6.0-7.4 HA CYS 45 - QG2 ILE 129 far 0 69 0 - 8.5-11.0 HA CYS 79 - QG2 ILE 129 far 0 52 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 2452 from cnoeabs.peaks (1.74, 0.81, 17.22 ppm; 3.46 A): 2 out of 16 assignments used, quality = 1.00: * HB ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 129 + QG2 ILE 129 OK 67 67 100 100 2.0-3.1 3.2=100 HG3 ARG 90 - QG2 ILE 80 poor 20 100 20 - 3.5-8.6 HG3 ARG 90 - QG2 ILE 129 far 0 68 0 - 5.4-7.7 HG13 ILE 129 - QG2 ILE 80 far 0 99 0 - 5.5-9.9 HB2 LYS 39 - QG2 ILE 80 far 0 73 0 - 5.6-12.1 HD3 LYS 39 - QG2 ILE 80 far 0 73 0 - 5.6-10.8 HB ILE 80 - QG2 ILE 129 far 0 70 0 - 5.6-7.4 HG2 ARG 135 - QG2 ILE 80 far 0 65 0 - 5.7-9.7 HB2 LEU 43 - QG2 ILE 129 far 0 64 0 - 5.8-8.8 HB3 LEU 70 - QG2 ILE 129 far 0 45 0 - 6.3-8.9 HB2 LEU 70 - QG2 ILE 129 far 0 40 0 - 6.3-8.9 HG2 ARG 135 - QG2 ILE 129 far 0 38 0 - 7.0-9.3 HB2 LYS 39 - QG2 ILE 129 far 0 44 0 - 7.4-10.4 HD3 LYS 39 - QG2 ILE 129 far 0 44 0 - 7.6-11.1 HB2 LEU 43 - QG2 ILE 80 far 0 97 0 - 8.1-12.9 Violated in 0 structures by 0.00 A. Peak 2453 from cnoeabs.peaks (0.81, 0.81, 17.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 80 + QG2 ILE 80 OK 100 100 - 100 QG2 ILE 129 + QG2 ILE 129 OK 66 66 - 100 Peak 2454 from cnoeabs.peaks (1.21, 0.81, 17.22 ppm; 3.93 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.2-3.2 3.2=100 HG12 ILE 80 + QG2 ILE 129 OK 27 70 55 70 4.7-7.2 2.1/2456=22, 2460=14...(18) QG2 THR 83 - QG2 ILE 80 poor 19 60 70 44 4.2-7.2 11312/9821=11...(10) QG2 THR 65 - QG2 ILE 129 far 0 54 0 - 7.7-10.4 QG2 THR 83 - QG2 ILE 129 far 0 35 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 2455 from cnoeabs.peaks (0.82, 0.81, 17.22 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: QG2 ILE 80 + QG2 ILE 80 OK 97 97 - 100 QG2 ILE 129 + QG2 ILE 129 OK 69 69 - 100 Reference assignment not found: HG13 ILE 80 - QG2 ILE 80 Peak 2456 from cnoeabs.peaks (0.27, 0.81, 17.22 ppm; 3.33 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 80 + QG2 ILE 80 OK 100 100 100 100 1.7-3.3 3.1=100 QD1 ILE 80 + QG2 ILE 129 OK 53 70 85 89 3.7-6.5 2474=22, 9749/10457=13...(35) QG2 VAL 93 + QG2 ILE 129 OK 48 51 95 99 1.9-4.9 10487/4163=38, 11405=32...(53) QG2 VAL 93 - QG2 ILE 80 poor 17 83 20 - 4.2-7.8 Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (6.96, 1.21, 27.07 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HG12 ILE 80 OK 100 100 100 100 1.5-4.3 4.4=100 HE21 GLN 82 - HG12 ILE 80 far 0 85 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 2458 from cnoeabs.peaks (4.12, 1.21, 27.07 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.4-4.3 4.1=100 HA CYS 79 + HG12 ILE 80 OK 21 85 25 100 4.2-7.4 3.6/7075=75, 2.9/9696=43...(20) Violated in 0 structures by 0.00 A. Peak 2459 from cnoeabs.peaks (1.74, 1.21, 27.07 ppm; 4.83 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 90 + HG12 ILE 80 OK 35 100 40 89 4.8-9.4 ~11244=36, 2473/2.1=31...(13) HG13 ILE 129 - HG12 ILE 80 far 0 99 0 - 6.5-11.3 HB2 LYS 39 - HG12 ILE 80 far 0 73 0 - 6.8-13.9 HG2 ARG 135 - HG12 ILE 80 far 0 65 0 - 7.0-13.6 HD3 LYS 39 - HG12 ILE 80 far 0 73 0 - 7.0-12.7 Violated in 0 structures by 0.00 A. Peak 2460 from cnoeabs.peaks (0.81, 1.21, 27.07 ppm; 3.82 A): 4 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.2-3.2 3.2=100 HG13 ILE 80 + HG12 ILE 80 OK 97 97 100 100 1.8-1.8 1.8=100 QG2 ILE 129 + HG12 ILE 80 OK 38 99 55 71 4.7-7.2 2456/2.1=22, 2454=17...(17) QG1 VAL 133 + HG12 ILE 80 OK 30 76 40 98 3.3-7.6 ~10588=43, ~10588=39...(29) Violated in 0 structures by 0.00 A. Peak 2461 from cnoeabs.peaks (1.21, 1.21, 27.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HG12 ILE 80 OK 100 100 - 100 Peak 2462 from cnoeabs.peaks (0.82, 1.21, 27.07 ppm; 3.59 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 80 + HG12 ILE 80 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 80 + HG12 ILE 80 OK 97 97 100 100 2.2-3.2 3.2=100 QG1 VAL 133 + HG12 ILE 80 OK 28 95 30 98 3.3-7.6 10586/2.1=43, ~10588=38...(28) QG2 ILE 129 - HG12 ILE 80 poor 19 100 30 63 4.7-7.2 2456/2.1=19, 2454=13...(15) Violated in 0 structures by 0.00 A. Peak 2463 from cnoeabs.peaks (0.27, 1.21, 27.07 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 93 - HG12 ILE 80 far 0 83 0 - 5.7-7.4 Violated in 0 structures by 0.00 A. Peak 2464 from cnoeabs.peaks (6.96, 0.82, 27.07 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.7-4.2 4.4=100 HE21 GLN 82 - HG13 ILE 80 far 0 85 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (4.12, 0.82, 27.07 ppm; 5.56 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.2-4.0 4.1=100 HA CYS 79 + HG13 ILE 80 OK 85 85 100 100 4.6-7.0 ~9699=59, ~9700=54...(21) Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (1.74, 0.82, 27.07 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: * HB ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 90 + HG13 ILE 80 OK 50 100 50 100 5.1-10.4 ~11244=71, ~11219=51...(17) HG13 ILE 129 + HG13 ILE 80 OK 33 99 35 95 7.0-11.6 10488/2.1=39, ~2456=24...(16) HB2 LYS 39 - HG13 ILE 80 poor 14 73 30 64 6.2-13.0 9629/9745=22...(10) HG2 ARG 135 - HG13 ILE 80 poor 13 65 20 - 5.9-12.8 HD3 LYS 39 - HG13 ILE 80 poor 8 73 30 35 5.8-13.2 ~11956=12, ~11931=11...(6) HB2 LEU 43 - HG13 ILE 80 far 0 97 0 - 9.6-16.5 Violated in 0 structures by 0.00 A. Peak 2467 from cnoeabs.peaks (0.81, 0.82, 27.07 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: HG13 ILE 80 + HG13 ILE 80 OK 97 97 - 100 Reference assignment not found: QG2 ILE 80 - HG13 ILE 80 Peak 2468 from cnoeabs.peaks (1.21, 0.82, 27.07 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 80 + HG13 ILE 80 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 83 - HG13 ILE 80 far 0 60 0 - 5.4-8.0 Violated in 0 structures by 0.00 A. Peak 2469 from cnoeabs.peaks (0.82, 0.82, 27.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 80 + HG13 ILE 80 OK 100 100 - 100 Peak 2470 from cnoeabs.peaks (0.27, 0.82, 27.07 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 93 - HG13 ILE 80 far 0 83 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 2471 from cnoeabs.peaks (6.96, 0.27, 13.24 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + QD1 ILE 80 OK 100 100 100 100 1.7-4.2 7077=100, 7075/2.1=80...(21) HE21 GLN 82 - QD1 ILE 80 far 0 85 0 - 7.7-10.9 Violated in 8 structures by 0.05 A. Peak 2472 from cnoeabs.peaks (4.12, 0.27, 13.24 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.2-4.1 4.2=95, 3.0/7077=67...(25) HA CYS 79 + QD1 ILE 80 OK 38 85 45 99 3.5-6.7 3.6/7077=58, 2.9/9699=41...(20) Violated in 0 structures by 0.00 A. Peak 2473 from cnoeabs.peaks (1.74, 0.27, 13.24 ppm; 3.66 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.3-3.2 3.2=100 HG3 ARG 90 + QD1 ILE 80 OK 48 100 50 97 2.4-7.0 11932/9719=27...(22) HG13 ILE 129 - QD1 ILE 80 far 10 99 10 - 4.7-9.7 HG2 ARG 135 - QD1 ILE 80 far 0 65 0 - 5.9-11.4 HD3 LYS 39 - QD1 ILE 80 far 0 73 0 - 6.7-11.4 HB2 LYS 39 - QD1 ILE 80 far 0 73 0 - 7.1-11.3 HB2 LEU 43 - QD1 ILE 80 far 0 97 0 - 8.9-13.2 Violated in 0 structures by 0.00 A. Peak 2474 from cnoeabs.peaks (0.81, 0.27, 13.24 ppm; 3.19 A): 4 out of 6 assignments used, quality = 1.00: * QG2 ILE 80 + QD1 ILE 80 OK 100 100 100 100 1.7-3.3 3.1=100 HG13 ILE 80 + QD1 ILE 80 OK 97 97 100 100 2.1-2.1 2.1=100 QG2 ILE 129 + QD1 ILE 80 OK 71 99 80 90 3.7-6.5 2456=24, 10457/9749=22...(33) QG1 VAL 133 + QD1 ILE 80 OK 55 76 75 97 2.7-6.1 2.1/10588=49...(42) QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 8.0-12.4 QD2 LEU 49 - QD1 ILE 80 far 0 89 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (1.21, 0.27, 13.24 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 83 - QD1 ILE 80 far 0 60 0 - 5.0-6.7 Violated in 0 structures by 0.00 A. Peak 2476 from cnoeabs.peaks (0.82, 0.27, 13.24 ppm; 3.35 A): 4 out of 6 assignments used, quality = 1.00: * HG13 ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 80 + QD1 ILE 80 OK 97 97 100 100 1.7-3.3 3.1=100 QG2 ILE 129 + QD1 ILE 80 OK 79 100 85 93 3.7-6.5 10457/9749=25, 2456=25...(37) QG1 VAL 133 + QD1 ILE 80 OK 70 95 75 99 2.7-6.1 2.1/10588=55...(44) QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 8.0-12.4 QD2 LEU 49 - QD1 ILE 80 far 0 65 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 2477 from cnoeabs.peaks (0.27, 0.27, 13.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + QD1 ILE 80 OK 100 100 - 100 Peak 2478 from cnoeabs.peaks (4.12, 3.85, 51.18 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 80 + HD2 PRO 81 OK 100 100 100 100 2.3-2.7 3.8=98, 11784/2.3=58...(27) HA3 GLY 114 - HD2 PRO 117 far 0 90 0 - 5.7-10.1 HA CYS 79 - HD2 PRO 81 far 0 85 0 - 6.4-7.2 Violated in 0 structures by 0.00 A. Peak 2479 from cnoeabs.peaks (3.85, 4.12, 58.67 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 81 + HA ILE 80 OK 100 100 100 100 2.3-2.7 3.8=100 HD2 PRO 81 - HA CYS 79 far 0 58 0 - 6.4-7.2 HA GLU 40 - HA ILE 80 far 0 97 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 2480 from cnoeabs.peaks (4.12, 4.04, 51.18 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 80 + HD3 PRO 81 OK 100 100 100 100 2.2-2.5 3.8=100 HA CYS 79 - HD3 PRO 81 far 0 85 0 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 2481 from cnoeabs.peaks (4.04, 4.12, 58.67 ppm; 4.35 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 81 + HA ILE 80 OK 100 100 100 100 2.2-2.5 3.8=100 HD3 PRO 81 - HA CYS 79 far 0 58 0 - 6.5-7.0 HA ILE 37 - HA ILE 80 far 0 89 0 - 7.7-15.6 HB2 SER 38 - HA ILE 80 far 0 76 0 - 7.8-14.2 HA ARG 135 - HA ILE 80 far 0 83 0 - 8.6-12.0 HB2 SER 38 - HA CYS 79 far 0 37 0 - 8.8-14.8 HA ILE 37 - HA CYS 79 far 0 46 0 - 9.1-17.6 Violated in 0 structures by 0.00 A. Peak 2482 from cnoeabs.peaks (2.00, 3.85, 51.18 ppm; 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HG2 PRO 81 + HD2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 117 + HD2 PRO 117 OK 85 85 100 100 3.0-4.0 3.0=100 HG2 ARG 90 - HD2 PRO 81 far 0 73 0 - 7.0-12.3 HB2 GLN 134 - HD2 PRO 81 far 0 78 0 - 7.6-11.1 HB ILE 129 - HD2 PRO 81 far 0 100 0 - 8.3-11.4 Violated in 0 structures by 0.00 A. Peak 2483 from cnoeabs.peaks (2.05, 3.85, 51.18 ppm; 4.35 A): 4 out of 11 assignments used, quality = 1.00: * HG3 PRO 81 + HD2 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HG3 PRO 117 + HD2 PRO 117 OK 90 90 100 100 2.3-3.0 2.3=100 HG2 PRO 117 + HD2 PRO 117 OK 90 90 100 100 2.3-3.0 2.3=100 HB VAL 118 + HD2 PRO 117 OK 35 89 40 99 4.5-6.4 11542/3.6=50...(21) HB3 LYS 39 - HD2 PRO 81 poor 12 63 35 56 3.7-9.9 2487/1.8=12, 4.9/10239=8...(15) HG3 ARG 135 - HD2 PRO 81 far 0 87 0 - 5.9-8.6 HG2 ARG 90 - HD2 PRO 81 far 0 63 0 - 7.0-12.3 HG3 PRO 113 - HD2 PRO 117 far 0 85 0 - 7.5-13.6 HB2 GLN 134 - HD2 PRO 81 far 0 57 0 - 7.6-11.1 HB2 LEU 62 - HD2 PRO 117 far 0 89 0 - 9.4-18.0 HB3 GLU 40 - HD2 PRO 81 far 0 92 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 2484 from cnoeabs.peaks (3.85, 3.85, 51.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 81 + HD2 PRO 81 OK 100 100 - 100 HD2 PRO 117 + HD2 PRO 117 OK 87 87 - 100 Peak 2485 from cnoeabs.peaks (4.04, 3.85, 51.18 ppm; 3.44 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 81 + HD2 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 103 - HD2 PRO 117 far 0 67 0 - 5.1-11.6 HA ARG 135 - HD2 PRO 81 far 0 83 0 - 6.5-9.6 HA LEU 119 - HD2 PRO 117 far 0 83 0 - 7.7-9.3 HB2 SER 38 - HD2 PRO 81 far 0 76 0 - 8.8-14.5 HA ILE 37 - HD2 PRO 81 far 0 89 0 - 9.4-16.1 HA GLU 102 - HD2 PRO 117 far 0 81 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 2486 from cnoeabs.peaks (2.00, 4.04, 51.18 ppm; 3.99 A): 1 out of 5 assignments used, quality = 1.00: * HG2 PRO 81 + HD3 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 GLN 134 - HD3 PRO 81 far 0 78 0 - 7.6-10.6 HG2 ARG 90 - HD3 PRO 81 far 0 73 0 - 8.7-13.9 HB ILE 129 - HD3 PRO 81 far 0 100 0 - 8.9-12.0 HB3 MET 11 - HD3 PRO 81 far 0 73 0 - 9.5-46.4 Violated in 0 structures by 0.00 A. Peak 2487 from cnoeabs.peaks (2.05, 4.04, 51.18 ppm; 4.55 A): 1 out of 8 assignments used, quality = 1.00: * HG3 PRO 81 + HD3 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 LYS 39 - HD3 PRO 81 poor 20 63 55 58 2.4-11.3 10871/10877=10, ~11591=8...(16) HG3 ARG 135 - HD3 PRO 81 far 0 87 0 - 6.1-9.6 HB2 GLN 134 - HD3 PRO 81 far 0 57 0 - 7.6-10.6 HB3 GLU 40 - HD3 PRO 81 far 0 92 0 - 8.3-14.5 HG2 ARG 90 - HD3 PRO 81 far 0 63 0 - 8.7-13.9 HB3 MET 11 - HD3 PRO 81 far 0 63 0 - 9.5-46.4 QE MET 11 - HD3 PRO 81 far 0 97 0 - 9.8-38.9 Violated in 0 structures by 0.00 A. Peak 2488 from cnoeabs.peaks (3.85, 4.04, 51.18 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 81 + HD3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLU 40 - HD3 PRO 81 far 0 97 0 - 7.6-12.7 HB2 SER 130 - HD3 PRO 81 far 0 57 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2489 from cnoeabs.peaks (4.04, 4.04, 51.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 81 + HD3 PRO 81 OK 100 100 - 100 Peak 2490 from cnoeabs.peaks (2.00, 2.00, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 81 + HG2 PRO 81 OK 100 100 - 100 HG3 PRO 56 + HG3 PRO 56 OK 67 67 - 100 HG2 PRO 56 + HG2 PRO 56 OK 67 67 - 100 Peak 2491 from cnoeabs.peaks (2.05, 2.00, 27.30 ppm; 2.50 A): 2 out of 15 assignments used, quality = 1.00: * HG3 PRO 81 + HG2 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 55 + HG2 PRO 56 OK 40 67 75 79 3.5-6.2 1716=32, 9282/2.3=11...(30) HG3 PRO 113 - HG3 PRO 56 far 3 66 5 - 3.4-17.6 HB3 GLU 55 - HG3 PRO 56 far 0 67 0 - 4.4-6.9 HB3 LYS 39 - HG2 PRO 81 far 0 63 0 - 4.4-12.7 HG3 ARG 135 - HG2 PRO 81 far 0 87 0 - 4.6-7.5 HG3 PRO 113 - HG2 PRO 56 far 0 66 0 - 4.8-18.0 HB2 GLN 134 - HG2 PRO 81 far 0 57 0 - 6.8-10.3 HG2 ARG 90 - HG2 PRO 81 far 0 63 0 - 8.0-14.7 HG2 PRO 58 - HG2 PRO 56 far 0 45 0 - 8.4-9.7 HG3 PRO 58 - HG2 PRO 56 far 0 51 0 - 9.0-9.7 HB3 GLU 40 - HG2 PRO 81 far 0 92 0 - 9.4-15.6 HB2 LEU 62 - HG2 PRO 56 far 0 70 0 - 9.6-11.9 HG2 PRO 58 - HG3 PRO 56 far 0 45 0 - 9.7-11.1 QE MET 11 - HG2 PRO 56 far 0 66 0 - 9.8-39.6 Violated in 0 structures by 0.00 A. Peak 2492 from cnoeabs.peaks (3.85, 2.00, 27.30 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 81 + HG2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HA GLU 40 - HG2 PRO 81 far 0 97 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 2493 from cnoeabs.peaks (4.04, 2.00, 27.30 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 81 + HG2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 135 - HG2 PRO 81 far 12 83 15 - 4.8-8.4 HB2 SER 38 - HG2 PRO 81 far 0 76 0 - 9.6-16.4 Violated in 0 structures by 0.00 A. Peak 2494 from cnoeabs.peaks (2.00, 2.05, 27.30 ppm; 2.50 A): 3 out of 16 assignments used, quality = 1.00: * HG2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 117 + HG3 PRO 117 OK 97 97 100 100 2.3-2.7 2.3=100 HB3 PRO 117 + HG2 PRO 117 OK 97 97 100 100 2.3-3.0 2.3=100 HB2 GLN 134 - HG3 ARG 135 far 4 44 10 - 3.5-7.3 HB3 PRO 56 - HG3 PRO 113 far 4 84 5 - 3.7-15.7 HG3 PRO 56 - HG3 PRO 113 far 4 80 5 - 3.4-17.6 HG2 PRO 81 - HG3 ARG 135 far 0 65 0 - 4.6-7.5 HG2 PRO 56 - HG3 PRO 113 far 0 80 0 - 4.8-18.0 HB2 GLU 55 - HG3 PRO 113 far 0 81 0 - 5.6-19.7 HB2 GLN 134 - HG3 PRO 81 far 0 78 0 - 6.1-11.4 HG2 PRO 58 - HG3 PRO 113 far 0 46 0 - 6.2-16.9 HB VAL 63 - HG3 PRO 113 far 0 57 0 - 7.5-16.6 HB3 LEU 53 - HG3 PRO 113 far 0 83 0 - 8.4-19.5 HB ILE 129 - HG3 PRO 81 far 0 100 0 - 8.9-13.1 HB ILE 129 - HG3 ARG 135 far 0 65 0 - 9.2-12.4 HG2 ARG 90 - HG3 PRO 81 far 0 73 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 2495 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 * HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 79 79 - 100 HG3 ARG 135 + HG3 ARG 135 OK 50 50 - 100 Peak 2496 from cnoeabs.peaks (3.85, 2.05, 27.30 ppm; 3.80 A): 3 out of 10 assignments used, quality = 1.00: * HD2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 117 + HG3 PRO 117 OK 99 99 100 100 2.3-3.0 2.3=100 HD2 PRO 117 + HG2 PRO 117 OK 98 98 100 100 2.3-3.0 2.3=100 HD2 PRO 81 - HG3 ARG 135 far 0 65 0 - 5.9-8.6 HA GLU 40 - HG3 PRO 81 far 0 97 0 - 7.1-15.0 HD2 PRO 117 - HG3 PRO 113 far 0 81 0 - 7.5-13.6 HA LEU 62 - HG3 PRO 113 far 0 82 0 - 8.4-16.7 HB2 SER 130 - HG3 ARG 135 far 0 31 0 - 8.8-12.2 HB2 SER 130 - HG3 PRO 81 far 0 57 0 - 9.7-14.1 HA GLU 40 - HG3 ARG 135 far 0 61 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 2497 from cnoeabs.peaks (4.04, 2.05, 27.30 ppm; 4.03 A): 2 out of 21 assignments used, quality = 1.00: * HD3 PRO 81 + HG3 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 135 + HG3 ARG 135 OK 47 47 100 100 2.7-3.6 4.2=91, 4308/1.8=69...(16) HA ARG 135 - HG3 PRO 81 poor 5 83 25 26 4.3-9.3 3.0/4325=5, 5.0/10147=5...(8) HA LEU 103 - HG3 PRO 113 far 0 61 0 - 5.6-17.0 HA LEU 103 - HG2 PRO 117 far 0 80 0 - 6.1-12.5 HD3 PRO 81 - HG3 ARG 135 far 0 65 0 - 6.1-9.6 HA LEU 103 - HG3 PRO 117 far 0 81 0 - 6.5-13.9 HA SER 60 - HG3 PRO 113 far 0 46 0 - 7.2-16.4 HA LEU 119 - HG2 PRO 117 far 0 95 0 - 7.4-9.3 HA LEU 119 - HG3 PRO 113 far 0 76 0 - 7.5-14.9 HA LEU 119 - HG3 PRO 117 far 0 96 0 - 7.7-9.8 HB2 SER 38 - HG3 PRO 81 far 0 76 0 - 8.1-15.3 HA LEU 122 - HG2 PRO 117 far 0 95 0 - 8.5-11.3 HA GLU 102 - HG2 PRO 117 far 0 94 0 - 8.5-14.8 HA LEU 96 - HG2 PRO 117 far 0 99 0 - 8.6-14.3 HA LEU 122 - HG3 PRO 117 far 0 96 0 - 8.8-11.7 HA LYS 95 - HG2 PRO 117 far 0 86 0 - 8.9-14.9 HA LEU 96 - HG3 PRO 117 far 0 100 0 - 9.3-13.4 HA GLU 102 - HG3 PRO 117 far 0 95 0 - 9.4-16.4 HB3 SER 124 - HG2 PRO 117 far 0 98 0 - 9.6-11.8 HB3 SER 124 - HG3 PRO 117 far 0 99 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 2498 from cnoeabs.peaks (2.44, 2.44, 33.62 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 82 + HG2 GLN 82 OK 100 100 - 100 HG3 GLN 82 + HG3 GLN 82 OK 90 90 - 100 HG2 GLN 101 + HG2 GLN 101 OK 48 48 - 100 Peak 2499 from cnoeabs.peaks (2.45, 2.44, 33.62 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 GLN 82 + HG2 GLN 82 OK 98 98 - 100 HG3 GLN 82 + HG3 GLN 82 OK 94 94 - 100 HG2 GLN 101 + HG2 GLN 101 OK 34 34 - 100 Reference assignment not found: HG3 GLN 82 - HG2 GLN 82 Peak 2500 from cnoeabs.peaks (6.94, 2.44, 33.62 ppm; 5.86 A): 2 out of 5 assignments used, quality = 1.00: * HE21 GLN 82 + HG2 GLN 82 OK 100 100 100 100 3.4-4.1 3.5=100 HE21 GLN 82 + HG3 GLN 82 OK 94 94 100 100 3.4-4.1 3.5=100 HE21 GLN 104 - HG2 GLN 101 far 3 31 10 - 6.1-13.5 H ILE 80 - HG2 GLN 82 far 0 85 0 - 8.1-11.6 H ILE 80 - HG3 GLN 82 far 0 75 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 2501 from cnoeabs.peaks (7.64, 2.44, 33.62 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: * HE22 GLN 82 + HG2 GLN 82 OK 100 100 100 100 2.1-3.5 3.5=100 HE22 GLN 82 + HG3 GLN 82 OK 94 94 100 100 2.1-3.6 3.5=100 H VAL 105 - HG2 GLN 101 far 7 44 15 - 5.3-8.9 Violated in 0 structures by 0.00 A. Peak 2502 from cnoeabs.peaks (2.44, 2.45, 33.62 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLN 82 + HG3 GLN 82 OK 98 98 - 100 HG2 GLN 82 + HG2 GLN 82 OK 94 94 - 100 HG2 GLU 55 + HG2 GLU 55 OK 37 37 - 100 Reference assignment not found: HG2 GLN 82 - HG3 GLN 82 Peak 2503 from cnoeabs.peaks (2.45, 2.45, 33.62 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 82 + HG3 GLN 82 OK 100 100 - 100 HG2 GLN 82 + HG2 GLN 82 OK 90 90 - 100 HG2 GLU 55 + HG2 GLU 55 OK 51 51 - 100 Peak 2504 from cnoeabs.peaks (6.94, 2.45, 33.62 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: * HE21 GLN 82 + HG3 GLN 82 OK 100 100 100 100 3.4-4.1 3.5=100 HE21 GLN 82 + HG2 GLN 82 OK 94 94 100 100 3.4-4.1 3.5=100 H ILE 80 - HG2 GLN 82 far 0 75 0 - 8.1-11.6 H ILE 80 - HG3 GLN 82 far 0 85 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 2505 from cnoeabs.peaks (7.64, 2.45, 33.62 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 82 + HG3 GLN 82 OK 100 100 100 100 2.1-3.6 3.5=100 HE22 GLN 82 + HG2 GLN 82 OK 94 94 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 2506 from cnoeabs.peaks (3.75, 3.75, 66.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 83 + HA THR 83 OK 100 100 - 100 Peak 2507 from cnoeabs.peaks (4.17, 3.75, 66.49 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 83 + HA THR 83 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2508 from cnoeabs.peaks (1.24, 3.75, 66.49 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 83 + HA THR 83 OK 100 100 100 100 2.1-2.4 3.2=100 HG12 ILE 80 - HA THR 83 poor 12 60 20 - 4.2-7.5 Violated in 0 structures by 0.00 A. Peak 2509 from cnoeabs.peaks (9.00, 3.75, 66.49 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + HA THR 83 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (8.34, 3.75, 66.49 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HA THR 83 OK 100 100 100 100 3.0-3.5 7129=85, 11241/2517=78...(20) Violated in 0 structures by 0.00 A. Peak 2511 from cnoeabs.peaks (1.79, 3.75, 66.49 ppm; 5.17 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HA THR 83 OK 100 100 100 100 1.8-2.5 2624=100, 11312/2517=89...(24) HB2 ARG 84 + HA THR 83 OK 93 93 100 100 5.5-6.6 2533/3.6=73...(24) HB3 ARG 135 - HA THR 83 far 0 76 0 - 7.1-12.2 Violated in 0 structures by 0.00 A. Peak 2512 from cnoeabs.peaks (1.95, 3.75, 66.49 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HA THR 83 OK 100 100 100 100 2.2-3.9 1.8/2624=92, 2636=74...(19) HB3 PRO 81 - HA THR 83 far 0 97 0 - 6.6-8.2 HB3 ARG 90 - HA THR 83 far 0 100 0 - 7.5-10.4 Violated in 0 structures by 0.00 A. Peak 2513 from cnoeabs.peaks (3.75, 4.17, 68.68 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 83 + HB THR 83 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2514 from cnoeabs.peaks (4.17, 4.17, 68.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 83 + HB THR 83 OK 100 100 - 100 Peak 2515 from cnoeabs.peaks (1.24, 4.17, 68.68 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 83 + HB THR 83 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 80 - HB THR 83 far 0 60 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 2516 from cnoeabs.peaks (9.00, 4.17, 68.68 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + HB THR 83 OK 100 100 100 100 2.2-2.9 7088=100, 2520/2.1=62...(16) Violated in 0 structures by 0.00 A. Peak 2517 from cnoeabs.peaks (3.75, 1.24, 22.04 ppm; 3.19 A): 1 out of 2 assignments used, quality = 0.99: * HA THR 83 + QG2 THR 83 OK 99 100 100 99 2.1-2.4 3.2=99 HA VAL 133 - QG2 THR 83 far 0 81 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 2518 from cnoeabs.peaks (4.17, 1.24, 22.04 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 83 + QG2 THR 83 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2519 from cnoeabs.peaks (1.24, 1.24, 22.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 83 + QG2 THR 83 OK 100 100 - 100 Peak 2520 from cnoeabs.peaks (9.00, 1.24, 22.04 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + QG2 THR 83 OK 100 100 100 100 3.4-3.8 7089=86, 7088/2.1=74...(13) Violated in 4 structures by 0.01 A. Peak 2521 from cnoeabs.peaks (9.00, 4.25, 59.13 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + HA ARG 84 OK 100 100 100 100 2.7-2.7 2.8=100 Violated in 0 structures by 0.00 A. Peak 2522 from cnoeabs.peaks (4.25, 4.25, 59.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 84 + HA ARG 84 OK 100 100 - 100 Peak 2523 from cnoeabs.peaks (1.81, 4.25, 59.13 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 86 + HA ARG 84 OK 81 93 95 91 4.8-5.5 11312/9782=42...(11) HB3 ARG 135 - HA ARG 84 far 0 98 0 - 7.5-11.2 Violated in 0 structures by 0.00 A. Peak 2524 from cnoeabs.peaks (1.90, 4.25, 59.13 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 135 - HA ARG 84 far 0 100 0 - 7.4-12.0 HB2 ARG 90 - HA ARG 84 far 0 98 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 2525 from cnoeabs.peaks (1.64, 4.25, 59.13 ppm; 4.83 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.5-4.0 3.9=100 HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.7-4.2 3.9=100 QB ALA 88 + HA ARG 84 OK 62 73 100 84 5.1-5.8 2750/4.9=39, 3.0/7173=38...(12) HD2 LYS 86 - HA ARG 84 far 4 78 5 - 5.9-9.0 HD3 LYS 86 - HA ARG 84 far 4 78 5 - 6.3-9.0 Violated in 0 structures by 0.00 A. Peak 2526 from cnoeabs.peaks (1.64, 4.25, 59.13 ppm; 4.83 A): 3 out of 5 assignments used, quality = 1.00: HG2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.5-4.0 3.9=100 * HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.7-4.2 3.9=100 QB ALA 88 + HA ARG 84 OK 62 73 100 84 5.1-5.8 2750/4.9=39, 3.0/7173=38...(12) HD2 LYS 86 - HA ARG 84 far 4 78 5 - 5.9-9.0 HD3 LYS 86 - HA ARG 84 far 4 78 5 - 6.3-9.0 Violated in 0 structures by 0.00 A. Peak 2527 from cnoeabs.peaks (3.20, 4.25, 59.13 ppm; 6.42 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.0-5.1 5.0=100 * HD2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.8-5.4 5.0=100 HD3 ARG 90 - HA ARG 84 poor 13 63 20 - 7.4-11.2 HD2 ARG 90 - HA ARG 84 far 0 68 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 2528 from cnoeabs.peaks (3.20, 4.25, 59.13 ppm; 6.42 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.0-5.1 5.0=100 HD2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.8-5.4 5.0=100 HD3 ARG 90 - HA ARG 84 poor 13 63 20 - 7.4-11.2 HD2 ARG 90 - HA ARG 84 far 0 68 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 2529 from cnoeabs.peaks (7.27, 4.25, 59.13 ppm; 4.58 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 85 + HA ARG 84 OK 100 100 100 100 3.5-3.6 3.6=100 HE ARG 84 + HA ARG 84 OK 90 90 100 100 2.1-5.2 11859=61, 2.9/2570=37...(26) HD21 ASN 85 - HA ARG 84 poor 20 78 25 - 5.2-8.0 QE PHE 87 - HA ARG 84 far 10 100 10 - 3.7-7.6 Violated in 0 structures by 0.00 A. Peak 2530 from cnoeabs.peaks (8.12, 4.25, 59.13 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.99: * H PHE 87 + HA ARG 84 OK 99 100 100 99 3.6-4.1 7151=53, 11240/9782=40...(18) H GLU 91 - HA ARG 84 far 0 98 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 2531 from cnoeabs.peaks (3.23, 4.25, 59.13 ppm; 5.82 A): 2 out of 3 assignments used, quality = 1.00: HB3 PHE 87 + HA ARG 84 OK 99 100 100 100 3.4-4.6 4.0/2530=81...(17) * HB2 PHE 87 + HA ARG 84 OK 99 100 100 99 3.6-5.2 4.0/2530=81, 4.5/7173=39...(18) HD3 ARG 135 - HA ARG 84 poor 12 100 25 50 6.6-10.9 11885/3.6=40...(6) Violated in 0 structures by 0.00 A. Peak 2532 from cnoeabs.peaks (3.23, 4.25, 59.13 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 87 + HA ARG 84 OK 100 100 100 100 3.4-4.6 4.0/2530=80...(17) HB2 PHE 87 + HA ARG 84 OK 99 100 100 99 3.6-5.2 4.0/2530=80, 4.5/7173=38...(18) HD3 ARG 135 - HA ARG 84 poor 12 100 25 49 6.6-10.9 11885/3.6=39...(6) Violated in 0 structures by 0.00 A. Peak 2533 from cnoeabs.peaks (9.00, 1.81, 29.31 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.6 3.9=96, 7092/1.8=88...(18) Violated in 0 structures by 0.00 A. Peak 2534 from cnoeabs.peaks (4.25, 1.81, 29.31 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HA PHE 87 - HB2 ARG 84 far 0 89 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 2535 from cnoeabs.peaks (1.81, 1.81, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 Peak 2536 from cnoeabs.peaks (1.90, 1.81, 29.31 ppm; 2.86 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 135 - HB2 ARG 84 far 0 100 0 - 4.9-11.3 Violated in 0 structures by 0.00 A. Peak 2537 from cnoeabs.peaks (1.64, 1.81, 29.31 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: HG3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 4 73 5 - 5.1-6.8 HD3 LYS 86 - HB2 ARG 84 far 0 78 0 - 7.1-10.8 HD2 LYS 86 - HB2 ARG 84 far 0 78 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 2538 from cnoeabs.peaks (1.64, 1.81, 29.31 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 4 73 5 - 5.1-6.8 HD3 LYS 86 - HB2 ARG 84 far 0 78 0 - 7.1-10.8 HD2 LYS 86 - HB2 ARG 84 far 0 78 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 2539 from cnoeabs.peaks (3.20, 1.81, 29.31 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=100 * HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.5-4.0 4.0=100 HD3 ARG 90 - HB2 ARG 84 far 0 63 0 - 9.4-13.2 HD2 ARG 90 - HB2 ARG 84 far 0 68 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2540 from cnoeabs.peaks (3.20, 1.81, 29.31 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=100 HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.5-4.0 4.0=100 HD3 ARG 90 - HB2 ARG 84 far 0 63 0 - 9.4-13.2 HD2 ARG 90 - HB2 ARG 84 far 0 68 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2541 from cnoeabs.peaks (7.27, 1.81, 29.31 ppm; 4.61 A): 3 out of 4 assignments used, quality = 1.00: * H ASN 85 + HB2 ARG 84 OK 100 100 100 100 2.0-4.0 4.7=97, 3.7/2533=67...(18) HE ARG 84 + HB2 ARG 84 OK 90 90 100 100 2.9-5.1 5.1=76, 11859/3.0=48...(19) HD21 ASN 85 + HB2 ARG 84 OK 28 78 45 80 4.1-7.8 11279/1.8=16, 9799=16...(20) QE PHE 87 - HB2 ARG 84 far 0 100 0 - 6.2-9.7 Violated in 0 structures by 0.00 A. Peak 2542 from cnoeabs.peaks (9.00, 1.90, 29.31 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.1-3.0 7092=100, 2533/1.8=69...(13) Violated in 0 structures by 0.00 A. Peak 2543 from cnoeabs.peaks (4.25, 1.90, 29.31 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HA PHE 87 - HB3 ARG 84 far 0 89 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 2544 from cnoeabs.peaks (1.81, 1.90, 29.31 ppm; 2.85 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 135 - HB3 ARG 84 far 0 98 0 - 5.3-9.7 HB2 LYS 86 - HB3 ARG 84 far 0 93 0 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 2545 from cnoeabs.peaks (1.90, 1.90, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 Peak 2546 from cnoeabs.peaks (1.64, 1.90, 29.31 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HB3 ARG 84 far 0 73 0 - 6.1-7.1 HD3 LYS 86 - HB3 ARG 84 far 0 78 0 - 6.5-10.4 HD2 LYS 86 - HB3 ARG 84 far 0 78 0 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 2547 from cnoeabs.peaks (1.64, 1.90, 29.31 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HB3 ARG 84 far 0 73 0 - 6.1-7.1 HD3 LYS 86 - HB3 ARG 84 far 0 78 0 - 6.5-10.4 HD2 LYS 86 - HB3 ARG 84 far 0 78 0 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 2548 from cnoeabs.peaks (3.20, 1.90, 29.31 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-4.2 4.0=100 HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.8 4.0=100 HD3 ARG 90 - HB3 ARG 84 far 0 63 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 2549 from cnoeabs.peaks (3.20, 1.90, 29.31 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-4.2 4.0=100 * HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.8 4.0=100 HD3 ARG 90 - HB3 ARG 84 far 0 63 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 2550 from cnoeabs.peaks (7.27, 1.90, 29.31 ppm; 5.06 A): 3 out of 4 assignments used, quality = 1.00: * H ASN 85 + HB3 ARG 84 OK 100 100 100 100 2.3-4.0 4.7=100 HE ARG 84 + HB3 ARG 84 OK 90 90 100 100 2.6-5.2 5.1=100 HD21 ASN 85 + HB3 ARG 84 OK 32 78 45 89 3.4-8.5 4.5/11320=29, 11279=21...(18) QE PHE 87 - HB3 ARG 84 far 5 100 5 - 5.3-10.1 Violated in 0 structures by 0.00 A. Peak 2551 from cnoeabs.peaks (9.00, 1.64, 26.79 ppm; 5.62 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.0-4.6 4.6=100 H ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.1-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 2552 from cnoeabs.peaks (4.25, 1.64, 26.79 ppm; 4.61 A): 4 out of 38 assignments used, quality = 1.00: * HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-4.0 3.9=100 HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.7-4.2 3.9=100 HA LEU 22 + HG LEU 22 OK 41 41 100 100 2.2-4.1 4.3=100 HA LEU 22 + HG3 ARG 23 OK 27 58 60 77 3.9-7.1 375/5.0=46, 370/1.8=24...(12) HA ALA 28 - HG3 ARG 23 poor 18 73 25 - 3.4-15.3 HA LYS 19 - HG LEU 22 poor 13 42 60 51 2.6-10.7 409/2.1=16, ~10720=8...(15) HA GLN 27 - HG3 ARG 23 far 4 78 5 - 5.2-13.7 HA LYS 19 - HG3 ARG 23 far 3 60 5 - 5.1-11.2 HA LYS 26 - HG3 ARG 23 far 3 56 5 - 5.9-12.3 HA ALA 28 - HG LEU 22 far 3 53 5 - 5.8-19.0 HB3 SER 38 - HG3 ARG 23 far 2 48 5 - 4.6-32.3 HA LYS 36 - HG3 ARG 23 far 2 44 5 - 5.1-28.6 HA ALA 108 - HG3 ARG 23 far 2 40 5 - 4.7-42.7 HB THR 115 - HG LEU 119 far 2 36 5 - 5.7-9.3 HA ALA 109 - HG LEU 119 far 2 31 5 - 6.1-13.4 HA ALA 108 - HG LEU 22 far 0 28 0 - 6.4-44.6 HA LYS 36 - HG LEU 43 far 0 50 0 - 6.7-13.8 HA ALA 16 - HG3 ARG 23 far 0 42 0 - 6.9-16.3 HA ALA 109 - HG3 ARG 23 far 0 40 0 - 7.0-45.1 HA GLU 30 - HG3 ARG 23 far 0 54 0 - 7.1-19.4 HA ALA 108 - HG LEU 119 far 0 31 0 - 7.3-15.2 HB3 SER 38 - HG LEU 43 far 0 55 0 - 7.3-10.2 HA ALA 16 - HG LEU 22 far 0 29 0 - 7.4-15.7 HA ALA 29 - HG3 ARG 23 far 0 60 0 - 7.4-17.7 HA PHE 87 - HG2 ARG 84 far 0 89 0 - 7.7-9.7 HA LYS 31 - HG LEU 22 far 0 28 0 - 7.8-23.7 HA LYS 31 - HG3 ARG 23 far 0 40 0 - 7.8-22.1 HA LYS 36 - HG LEU 22 far 0 31 0 - 7.9-33.9 HA ALA 34 - HG3 ARG 23 far 0 52 0 - 7.9-28.5 HA PHE 87 - HG3 ARG 84 far 0 89 0 - 7.9-9.7 HA ALA 109 - HG LEU 22 far 0 28 0 - 8.0-46.5 HA GLN 27 - HG LEU 22 far 0 57 0 - 8.3-16.7 HB3 SER 38 - HG LEU 22 far 0 34 0 - 8.3-34.3 HA GLN 27 - HG LEU 43 far 0 85 0 - 8.4-24.5 HA LYS 26 - HG LEU 22 far 0 39 0 - 9.3-13.8 HA ALA 34 - HG LEU 43 far 0 59 0 - 9.4-15.2 HA GLU 30 - HG LEU 22 far 0 38 0 - 9.8-21.4 HA ALA 28 - HG LEU 43 far 0 81 0 - 9.8-25.0 Violated in 0 structures by 0.00 A. Peak 2553 from cnoeabs.peaks (1.81, 1.64, 26.79 ppm; 3.55 A): 3 out of 30 assignments used, quality = 1.00: HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 68 68 100 100 2.2-3.0 3.0=100 HB3 ARG 135 - HG3 ARG 84 far 15 98 15 - 4.6-8.6 HB3 LYS 19 - HG LEU 22 poor 14 57 25 - 3.5-10.7 HB3 ARG 135 - HG2 ARG 84 far 10 98 10 - 4.7-10.1 HB3 LYS 19 - HG3 ARG 23 far 4 78 5 - 3.4-12.2 HB3 LYS 26 - HG3 ARG 23 far 4 73 5 - 4.8-14.3 HB3 LYS 24 - HG LEU 22 far 3 56 5 - 4.9-9.8 HB2 LYS 86 - HG3 ARG 84 far 0 93 0 - 5.4-8.3 HB3 LYS 31 - HG3 ARG 23 far 0 78 0 - 5.5-21.5 HB2 LYS 36 - HG3 ARG 23 far 0 75 0 - 5.5-28.1 HB2 LYS 86 - HG2 ARG 84 far 0 93 0 - 5.5-8.0 HB3 LEU 103 - HG LEU 119 far 0 52 0 - 5.8-10.5 HB3 ARG 23 - HG LEU 22 far 0 49 0 - 6.2-8.2 HB3 LYS 24 - HG3 ARG 23 far 0 77 0 - 6.4-8.9 HB3 LEU 123 - HG LEU 119 far 0 33 0 - 6.4-9.2 HB3 LYS 31 - HG LEU 22 far 0 57 0 - 6.9-22.8 HB ILE 32 - HG3 ARG 23 far 0 74 0 - 7.2-21.7 HB3 LEU 122 - HG LEU 119 far 0 53 0 - 7.2-9.8 HB3 LEU 98 - HG3 ARG 23 far 0 50 0 - 7.5-37.9 HB3 LYS 26 - HG LEU 22 far 0 53 0 - 7.9-15.3 HB2 LEU 100 - HG LEU 119 far 0 56 0 - 8.2-11.9 HB2 LYS 36 - HG LEU 43 far 0 83 0 - 8.3-14.1 HB3 ARG 135 - HG LEU 43 far 0 82 0 - 8.4-12.8 HB3 LEU 98 - HG LEU 119 far 0 40 0 - 8.8-15.8 HB2 LEU 48 - HG3 ARG 23 far 0 42 0 - 8.9-30.4 HB2 LEU 48 - HG LEU 22 far 0 29 0 - 8.9-31.1 HB2 LYS 36 - HG LEU 22 far 0 54 0 - 9.1-33.5 HB3 LYS 26 - HG LEU 119 far 0 59 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 2554 from cnoeabs.peaks (1.90, 1.64, 26.79 ppm; 4.05 A): 3 out of 18 assignments used, quality = 1.00: * HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 40 + HG LEU 43 OK 46 85 55 99 4.2-7.4 ~11897=38, ~9055=35...(21) HB2 ARG 135 - HG2 ARG 84 poor 20 100 20 - 4.9-10.5 HB2 PRO 113 - HG LEU 119 far 6 62 10 - 3.5-11.0 HB3 LYS 36 - HG3 ARG 23 far 3 58 5 - 5.0-27.0 HB2 ARG 135 - HG3 ARG 84 lone 3 100 35 8 4.3-8.9 11279/11862=3, 7104/7105=3 HB2 MET 11 - HG LEU 22 far 2 42 5 - 4.5-22.8 HG2 PRO 113 - HG LEU 119 far 2 33 5 - 5.2-12.5 HB3 LEU 123 - HG LEU 119 far 0 38 0 - 6.4-9.2 HB3 LEU 49 - HG LEU 119 far 0 57 0 - 7.1-14.0 HB3 LEU 48 - HG LEU 22 far 0 53 0 - 7.4-30.1 HB3 LEU 48 - HG3 ARG 23 far 0 73 0 - 7.7-30.4 HB3 LYS 36 - HG LEU 43 far 0 65 0 - 7.7-14.2 HB3 LYS 36 - HG LEU 22 far 0 41 0 - 8.0-32.5 HB2 MET 11 - HG3 ARG 23 far 0 60 0 - 8.6-21.3 HB2 ARG 135 - HG LEU 43 far 0 86 0 - 9.0-12.8 HB2 GLU 40 - HG3 ARG 23 far 0 77 0 - 9.2-36.0 Violated in 0 structures by 0.00 A. Peak 2555 from cnoeabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 84 84 - 100 HG3 ARG 23 + HG3 ARG 23 OK 72 72 - 100 HG LEU 119 + HG LEU 119 OK 53 53 - 100 HG LEU 22 + HG LEU 22 OK 41 41 - 100 Peak 2556 from cnoeabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 84 84 - 100 HG3 ARG 23 + HG3 ARG 23 OK 72 72 - 100 HG LEU 119 + HG LEU 119 OK 53 53 - 100 HG LEU 22 + HG LEU 22 OK 41 41 - 100 Reference assignment not found: HG3 ARG 84 - HG2 ARG 84 Peak 2557 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 4.04 A): 6 out of 16 assignments used, quality = 1.00: HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.2-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 3 28 10 - 4.2-9.6 HB2 HIS 10 - HG3 ARG 23 far 3 52 5 - 5.4-21.0 HD2 ARG 23 - HG LEU 22 far 1 28 5 - 5.5-9.5 HB2 HIS 10 - HG LEU 22 far 0 37 0 - 6.6-23.6 HB3 HIS 8 - HG LEU 22 far 0 50 0 - 8.5-30.3 HD3 ARG 90 - HG2 ARG 84 far 0 63 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 68 0 - 9.7-13.5 HD3 ARG 90 - HG3 ARG 84 far 0 63 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 68 0 - 9.9-13.8 HB3 HIS 8 - HG3 ARG 23 far 0 69 0 - 10.0-27.6 Violated in 0 structures by 0.00 A. Peak 2558 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 4.04 A): 6 out of 16 assignments used, quality = 1.00: HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.2-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 3 28 10 - 4.2-9.6 HB2 HIS 10 - HG3 ARG 23 far 3 52 5 - 5.4-21.0 HD2 ARG 23 - HG LEU 22 far 1 28 5 - 5.5-9.5 HB2 HIS 10 - HG LEU 22 far 0 37 0 - 6.6-23.6 HB3 HIS 8 - HG LEU 22 far 0 50 0 - 8.5-30.3 HD3 ARG 90 - HG2 ARG 84 far 0 63 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 68 0 - 9.7-13.5 HD3 ARG 90 - HG3 ARG 84 far 0 63 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 68 0 - 9.9-13.8 HB3 HIS 8 - HG3 ARG 23 far 0 69 0 - 10.0-27.6 Violated in 0 structures by 0.00 A. Peak 2559 from cnoeabs.peaks (7.27, 1.64, 26.79 ppm; 6.80 A): 6 out of 11 assignments used, quality = 1.00: H ASN 85 + HG3 ARG 84 OK 100 100 100 100 1.8-4.7 ~11320=54, 3.7/7094=49...(20) * H ASN 85 + HG2 ARG 84 OK 100 100 100 100 1.7-4.9 ~11320=54, 3.7/7094=49...(19) HE ARG 84 + HG2 ARG 84 OK 90 90 100 100 2.1-4.0 3.6=100 HE ARG 84 + HG3 ARG 84 OK 90 90 100 100 2.3-3.6 3.6=100 HD21 ASN 85 + HG2 ARG 84 OK 73 78 95 98 4.5-9.6 ~9806=27, 3.5/11278=26...(22) HD21 ASN 85 + HG3 ARG 84 OK 73 78 95 98 3.7-9.3 ~9806=27, 3.5/11278=26...(21) QE PHE 87 - HG3 ARG 84 poor 13 100 25 51 7.1-11.0 ~11349=23, ~9836=13...(6) QE PHE 87 - HG2 ARG 84 poor 12 100 25 49 7.3-10.3 ~11349=23, 2.2/9836=14...(5) HD2 HIS 10 - HG LEU 22 far 8 56 15 - 6.6-25.5 HD2 HIS 10 - HG3 ARG 23 far 4 77 5 - 5.4-23.3 HD21 ASN 85 - HG LEU 43 far 0 61 0 - 8.8-15.2 Violated in 0 structures by 0.00 A. Peak 2560 from cnoeabs.peaks (9.00, 1.64, 26.79 ppm; 5.62 A): 2 out of 2 assignments used, quality = 1.00: H ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.0-4.6 4.6=100 * H ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.1-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 2561 from cnoeabs.peaks (4.25, 1.64, 26.79 ppm; 4.61 A): 4 out of 38 assignments used, quality = 1.00: HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-4.0 3.9=100 * HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.7-4.2 3.9=100 HA LEU 22 + HG LEU 22 OK 41 41 100 100 2.2-4.1 4.3=100 HA LEU 22 + HG3 ARG 23 OK 27 58 60 77 3.9-7.1 375/5.0=46, 370/1.8=24...(12) HA ALA 28 - HG3 ARG 23 poor 18 73 25 - 3.4-15.3 HA LYS 19 - HG LEU 22 poor 13 42 60 51 2.6-10.7 409/2.1=16, ~10720=8...(15) HA GLN 27 - HG3 ARG 23 far 4 78 5 - 5.2-13.7 HA LYS 19 - HG3 ARG 23 far 3 60 5 - 5.1-11.2 HA LYS 26 - HG3 ARG 23 far 3 56 5 - 5.9-12.3 HA ALA 28 - HG LEU 22 far 3 53 5 - 5.8-19.0 HB3 SER 38 - HG3 ARG 23 far 2 48 5 - 4.6-32.3 HA LYS 36 - HG3 ARG 23 far 2 44 5 - 5.1-28.6 HA ALA 108 - HG3 ARG 23 far 2 40 5 - 4.7-42.7 HB THR 115 - HG LEU 119 far 2 36 5 - 5.7-9.3 HA ALA 109 - HG LEU 119 far 2 31 5 - 6.1-13.4 HA ALA 108 - HG LEU 22 far 0 28 0 - 6.4-44.6 HA LYS 36 - HG LEU 43 far 0 50 0 - 6.7-13.8 HA ALA 16 - HG3 ARG 23 far 0 42 0 - 6.9-16.3 HA ALA 109 - HG3 ARG 23 far 0 40 0 - 7.0-45.1 HA GLU 30 - HG3 ARG 23 far 0 54 0 - 7.1-19.4 HA ALA 108 - HG LEU 119 far 0 31 0 - 7.3-15.2 HB3 SER 38 - HG LEU 43 far 0 55 0 - 7.3-10.2 HA ALA 16 - HG LEU 22 far 0 29 0 - 7.4-15.7 HA ALA 29 - HG3 ARG 23 far 0 60 0 - 7.4-17.7 HA PHE 87 - HG2 ARG 84 far 0 89 0 - 7.7-9.7 HA LYS 31 - HG LEU 22 far 0 28 0 - 7.8-23.7 HA LYS 31 - HG3 ARG 23 far 0 40 0 - 7.8-22.1 HA LYS 36 - HG LEU 22 far 0 31 0 - 7.9-33.9 HA ALA 34 - HG3 ARG 23 far 0 52 0 - 7.9-28.5 HA PHE 87 - HG3 ARG 84 far 0 89 0 - 7.9-9.7 HA ALA 109 - HG LEU 22 far 0 28 0 - 8.0-46.5 HA GLN 27 - HG LEU 22 far 0 57 0 - 8.3-16.7 HB3 SER 38 - HG LEU 22 far 0 34 0 - 8.3-34.3 HA GLN 27 - HG LEU 43 far 0 85 0 - 8.4-24.5 HA LYS 26 - HG LEU 22 far 0 39 0 - 9.3-13.8 HA ALA 34 - HG LEU 43 far 0 59 0 - 9.4-15.2 HA GLU 30 - HG LEU 22 far 0 38 0 - 9.8-21.4 HA ALA 28 - HG LEU 43 far 0 81 0 - 9.8-25.0 Violated in 0 structures by 0.00 A. Peak 2562 from cnoeabs.peaks (1.81, 1.64, 26.79 ppm; 3.55 A): 3 out of 30 assignments used, quality = 1.00: * HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 68 68 100 100 2.2-3.0 3.0=100 HB3 ARG 135 - HG3 ARG 84 far 15 98 15 - 4.6-8.6 HB3 LYS 19 - HG LEU 22 poor 14 57 25 - 3.5-10.7 HB3 ARG 135 - HG2 ARG 84 far 10 98 10 - 4.7-10.1 HB3 LYS 19 - HG3 ARG 23 far 4 78 5 - 3.4-12.2 HB3 LYS 26 - HG3 ARG 23 far 4 73 5 - 4.8-14.3 HB3 LYS 24 - HG LEU 22 far 3 56 5 - 4.9-9.8 HB2 LYS 86 - HG3 ARG 84 far 0 93 0 - 5.4-8.3 HB3 LYS 31 - HG3 ARG 23 far 0 78 0 - 5.5-21.5 HB2 LYS 36 - HG3 ARG 23 far 0 75 0 - 5.5-28.1 HB2 LYS 86 - HG2 ARG 84 far 0 93 0 - 5.5-8.0 HB3 LEU 103 - HG LEU 119 far 0 52 0 - 5.8-10.5 HB3 ARG 23 - HG LEU 22 far 0 49 0 - 6.2-8.2 HB3 LYS 24 - HG3 ARG 23 far 0 77 0 - 6.4-8.9 HB3 LEU 123 - HG LEU 119 far 0 33 0 - 6.4-9.2 HB3 LYS 31 - HG LEU 22 far 0 57 0 - 6.9-22.8 HB ILE 32 - HG3 ARG 23 far 0 74 0 - 7.2-21.7 HB3 LEU 122 - HG LEU 119 far 0 53 0 - 7.2-9.8 HB3 LEU 98 - HG3 ARG 23 far 0 50 0 - 7.5-37.9 HB3 LYS 26 - HG LEU 22 far 0 53 0 - 7.9-15.3 HB2 LEU 100 - HG LEU 119 far 0 56 0 - 8.2-11.9 HB2 LYS 36 - HG LEU 43 far 0 83 0 - 8.3-14.1 HB3 ARG 135 - HG LEU 43 far 0 82 0 - 8.4-12.8 HB3 LEU 98 - HG LEU 119 far 0 40 0 - 8.8-15.8 HB2 LEU 48 - HG3 ARG 23 far 0 42 0 - 8.9-30.4 HB2 LEU 48 - HG LEU 22 far 0 29 0 - 8.9-31.1 HB2 LYS 36 - HG LEU 22 far 0 54 0 - 9.1-33.5 HB3 LYS 26 - HG LEU 119 far 0 59 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 2563 from cnoeabs.peaks (1.90, 1.64, 26.79 ppm; 4.05 A): 3 out of 18 assignments used, quality = 1.00: HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 40 + HG LEU 43 OK 46 85 55 99 4.2-7.4 ~11897=38, ~9055=35...(21) HB2 ARG 135 - HG2 ARG 84 poor 20 100 20 - 4.9-10.5 HB2 PRO 113 - HG LEU 119 far 6 62 10 - 3.5-11.0 HB3 LYS 36 - HG3 ARG 23 far 3 58 5 - 5.0-27.0 HB2 ARG 135 - HG3 ARG 84 lone 3 100 35 8 4.3-8.9 11279/11862=3, 7104/7105=3 HB2 MET 11 - HG LEU 22 far 2 42 5 - 4.5-22.8 HG2 PRO 113 - HG LEU 119 far 2 33 5 - 5.2-12.5 HB3 LEU 123 - HG LEU 119 far 0 38 0 - 6.4-9.2 HB3 LEU 49 - HG LEU 119 far 0 57 0 - 7.1-14.0 HB3 LEU 48 - HG LEU 22 far 0 53 0 - 7.4-30.1 HB3 LEU 48 - HG3 ARG 23 far 0 73 0 - 7.7-30.4 HB3 LYS 36 - HG LEU 43 far 0 65 0 - 7.7-14.2 HB3 LYS 36 - HG LEU 22 far 0 41 0 - 8.0-32.5 HB2 MET 11 - HG3 ARG 23 far 0 60 0 - 8.6-21.3 HB2 ARG 135 - HG LEU 43 far 0 86 0 - 9.0-12.8 HB2 GLU 40 - HG3 ARG 23 far 0 77 0 - 9.2-36.0 Violated in 0 structures by 0.00 A. Peak 2564 from cnoeabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 84 84 - 100 HG3 ARG 23 + HG3 ARG 23 OK 72 72 - 100 HG LEU 119 + HG LEU 119 OK 53 53 - 100 HG LEU 22 + HG LEU 22 OK 41 41 - 100 Reference assignment not found: HG2 ARG 84 - HG3 ARG 84 Peak 2565 from cnoeabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 * HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 84 84 - 100 HG3 ARG 23 + HG3 ARG 23 OK 72 72 - 100 HG LEU 119 + HG LEU 119 OK 53 53 - 100 HG LEU 22 + HG LEU 22 OK 41 41 - 100 Peak 2566 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 4.04 A): 6 out of 16 assignments used, quality = 1.00: * HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.2-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 3 28 10 - 4.2-9.6 HB2 HIS 10 - HG3 ARG 23 far 3 52 5 - 5.4-21.0 HD2 ARG 23 - HG LEU 22 far 1 28 5 - 5.5-9.5 HB2 HIS 10 - HG LEU 22 far 0 37 0 - 6.6-23.6 HB3 HIS 8 - HG LEU 22 far 0 50 0 - 8.5-30.3 HD3 ARG 90 - HG2 ARG 84 far 0 63 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 68 0 - 9.7-13.5 HD3 ARG 90 - HG3 ARG 84 far 0 63 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 68 0 - 9.9-13.8 HB3 HIS 8 - HG3 ARG 23 far 0 69 0 - 10.0-27.6 Violated in 0 structures by 0.00 A. Peak 2567 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 4.04 A): 6 out of 16 assignments used, quality = 1.00: HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 * HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.2-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 ARG 23 - HG LEU 22 far 3 28 10 - 4.2-9.6 HB2 HIS 10 - HG3 ARG 23 far 3 52 5 - 5.4-21.0 HD2 ARG 23 - HG LEU 22 far 1 28 5 - 5.5-9.5 HB2 HIS 10 - HG LEU 22 far 0 37 0 - 6.6-23.6 HB3 HIS 8 - HG LEU 22 far 0 50 0 - 8.5-30.3 HD3 ARG 90 - HG2 ARG 84 far 0 63 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 68 0 - 9.7-13.5 HD3 ARG 90 - HG3 ARG 84 far 0 63 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 68 0 - 9.9-13.8 HB3 HIS 8 - HG3 ARG 23 far 0 69 0 - 10.0-27.6 Violated in 0 structures by 0.00 A. Peak 2568 from cnoeabs.peaks (7.27, 1.64, 26.79 ppm; 6.80 A): 6 out of 11 assignments used, quality = 1.00: * H ASN 85 + HG3 ARG 84 OK 100 100 100 100 1.8-4.7 ~11320=54, 3.7/7094=49...(20) H ASN 85 + HG2 ARG 84 OK 100 100 100 100 1.7-4.9 ~11320=54, 3.7/7094=49...(19) HE ARG 84 + HG2 ARG 84 OK 90 90 100 100 2.1-4.0 3.6=100 HE ARG 84 + HG3 ARG 84 OK 90 90 100 100 2.3-3.6 3.6=100 HD21 ASN 85 + HG2 ARG 84 OK 73 78 95 98 4.5-9.6 ~9806=27, 3.5/11278=26...(22) HD21 ASN 85 + HG3 ARG 84 OK 73 78 95 98 3.7-9.3 ~9806=27, 3.5/11278=26...(21) QE PHE 87 - HG3 ARG 84 poor 13 100 25 51 7.1-11.0 ~11349=23, ~9836=13...(6) QE PHE 87 - HG2 ARG 84 poor 12 100 25 49 7.3-10.3 ~11349=23, 2.2/9836=14...(5) HD2 HIS 10 - HG LEU 22 far 8 56 15 - 6.6-25.5 HD2 HIS 10 - HG3 ARG 23 far 4 77 5 - 5.4-23.3 HD21 ASN 85 - HG LEU 43 far 0 61 0 - 8.8-15.2 Violated in 0 structures by 0.00 A. Peak 2569 from cnoeabs.peaks (9.00, 3.20, 43.15 ppm; 4.85 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 84 + HD2 ARG 84 OK 100 100 100 100 1.9-5.8 7092/4.0=76, 2533/4.0=69...(20) H ARG 84 + HD3 ARG 84 OK 100 100 100 100 1.9-5.3 7092/4.0=76, 2533/4.0=69...(20) Violated in 0 structures by 0.00 A. Peak 2570 from cnoeabs.peaks (4.25, 3.20, 43.15 ppm; 4.53 A): 2 out of 4 assignments used, quality = 1.00: HA ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.0-5.1 5.0=75, 11859/2.9=55...(31) * HA ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.8-5.4 5.0=75, 11859/2.9=55...(31) HA PHE 87 - HD2 ARG 84 far 0 89 0 - 6.5-10.6 HA PHE 87 - HD3 ARG 84 far 0 89 0 - 6.7-10.5 Violated in 0 structures by 0.00 A. Peak 2571 from cnoeabs.peaks (1.81, 3.20, 43.15 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=95, 1.8/2572=40...(25) * HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-4.0 4.0=95, 1.8/2572=40...(25) HB3 ARG 135 - HD3 ARG 84 far 10 98 10 - 4.0-10.5 HB3 ARG 135 - HD2 ARG 84 far 5 98 5 - 4.7-9.3 HB2 LYS 86 - HD2 ARG 84 far 0 93 0 - 6.4-8.4 HB2 LYS 86 - HD3 ARG 84 far 0 93 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 2572 from cnoeabs.peaks (1.90, 3.20, 43.15 ppm; 3.90 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-4.2 4.0=93, 1.8/2571=40...(25) HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-3.8 4.0=93, 1.8/2571=40...(25) HB2 ARG 135 - HD3 ARG 84 far 10 100 10 - 4.5-11.0 HB2 ARG 135 - HD2 ARG 84 far 5 100 5 - 5.2-9.6 HB2 ARG 90 - HD2 ARG 84 far 0 98 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 2573 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 lone 5 73 60 12 3.1-8.5 2525/5.0=5, 9847/2586=1...(6) QB ALA 88 - HD3 ARG 84 lone 3 73 35 12 3.7-8.5 2525/5.0=5, 9847/2577=1...(6) HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 7.1-11.5 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 7.6-11.5 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 7.9-11.8 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 2574 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: * HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 lone 5 73 60 12 3.1-8.5 2525/5.0=5, 9847/2586=1...(6) QB ALA 88 - HD3 ARG 84 lone 3 73 35 12 3.7-8.5 2525/5.0=5, 9847/2577=1...(6) HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 7.1-11.5 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 7.6-11.5 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 7.9-11.8 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 2575 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 * HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Peak 2576 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Reference assignment not found: HD3 ARG 84 - HD2 ARG 84 Peak 2577 from cnoeabs.peaks (7.27, 3.20, 43.15 ppm; 4.09 A): 4 out of 8 assignments used, quality = 1.00: HE ARG 84 + HD2 ARG 84 OK 90 90 100 100 2.3-2.9 2.9=100 HE ARG 84 + HD3 ARG 84 OK 90 90 100 100 2.3-2.9 2.9=100 * H ASN 85 + HD2 ARG 84 OK 82 100 100 82 1.9-5.1 3.6/2579=27, 4.7/2580=22...(11) H ASN 85 + HD3 ARG 84 OK 82 100 100 82 2.7-4.6 3.6/2579=27, 4.7/2571=22...(11) HD21 ASN 85 - HD2 ARG 84 poor 16 78 20 - 3.3-9.5 QE PHE 87 - HD3 ARG 84 far 5 100 5 - 5.2-11.5 HD21 ASN 85 - HD3 ARG 84 far 4 78 5 - 4.6-8.5 QE PHE 87 - HD2 ARG 84 far 0 100 0 - 6.1-11.7 Violated in 0 structures by 0.00 A. Peak 2578 from cnoeabs.peaks (9.00, 3.20, 43.15 ppm; 4.85 A): 2 out of 2 assignments used, quality = 1.00: H ARG 84 + HD2 ARG 84 OK 100 100 100 100 1.9-5.8 7092/4.0=76, 2533/4.0=69...(20) * H ARG 84 + HD3 ARG 84 OK 100 100 100 100 1.9-5.3 7092/4.0=76, 2533/4.0=69...(20) Violated in 0 structures by 0.00 A. Peak 2579 from cnoeabs.peaks (4.25, 3.20, 43.15 ppm; 4.53 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.0-5.1 5.0=75, 11859/2.9=55...(31) HA ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.8-5.4 5.0=75, 11859/2.9=55...(31) HA PHE 87 - HD2 ARG 84 far 0 89 0 - 6.5-10.6 HA PHE 87 - HD3 ARG 84 far 0 89 0 - 6.7-10.5 Violated in 0 structures by 0.00 A. Peak 2580 from cnoeabs.peaks (1.81, 3.20, 43.15 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=95, 1.8/2572=40...(25) HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-4.0 4.0=95, 1.8/2572=40...(25) HB3 ARG 135 - HD3 ARG 84 far 10 98 10 - 4.0-10.5 HB3 ARG 135 - HD2 ARG 84 far 5 98 5 - 4.7-9.3 HB2 LYS 86 - HD2 ARG 84 far 0 93 0 - 6.4-8.4 HB2 LYS 86 - HD3 ARG 84 far 0 93 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 2581 from cnoeabs.peaks (1.90, 3.20, 43.15 ppm; 3.90 A): 2 out of 5 assignments used, quality = 1.00: HB3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-4.2 4.0=93, 1.8/2571=40...(25) * HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-3.8 4.0=93, 1.8/2571=40...(25) HB2 ARG 135 - HD3 ARG 84 far 10 100 10 - 4.5-11.0 HB2 ARG 135 - HD2 ARG 84 far 5 100 5 - 5.2-9.6 HB2 ARG 90 - HD2 ARG 84 far 0 98 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 2582 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 lone 5 73 60 12 3.1-8.5 2525/5.0=5, 9847/2586=1...(6) QB ALA 88 - HD3 ARG 84 lone 3 73 35 12 3.7-8.5 2525/5.0=5, 9847/2577=1...(6) HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 7.1-11.5 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 7.6-11.5 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 7.9-11.8 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 2583 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 * HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HD2 ARG 84 lone 5 73 60 12 3.1-8.5 2525/5.0=5, 9847/2586=1...(6) QB ALA 88 - HD3 ARG 84 lone 3 73 35 12 3.7-8.5 2525/5.0=5, 9847/2577=1...(6) HD3 LYS 86 - HD2 ARG 84 far 0 78 0 - 7.1-11.5 HD3 LYS 86 - HD3 ARG 84 far 0 78 0 - 7.6-11.5 HD2 LYS 86 - HD2 ARG 84 far 0 78 0 - 7.9-11.8 HD2 LYS 86 - HD3 ARG 84 far 0 78 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 2584 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Reference assignment not found: HD2 ARG 84 - HD3 ARG 84 Peak 2585 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Peak 2586 from cnoeabs.peaks (7.27, 3.20, 43.15 ppm; 4.09 A): 4 out of 8 assignments used, quality = 1.00: HE ARG 84 + HD2 ARG 84 OK 90 90 100 100 2.3-2.9 2.9=100 HE ARG 84 + HD3 ARG 84 OK 90 90 100 100 2.3-2.9 2.9=100 H ASN 85 + HD2 ARG 84 OK 82 100 100 82 1.9-5.1 3.6/2579=27, 4.7/2580=22...(11) * H ASN 85 + HD3 ARG 84 OK 82 100 100 82 2.7-4.6 3.6/2579=27, 4.7/2571=22...(11) HD21 ASN 85 - HD2 ARG 84 poor 16 78 20 - 3.3-9.5 QE PHE 87 - HD3 ARG 84 far 5 100 5 - 5.2-11.5 HD21 ASN 85 - HD3 ARG 84 far 4 78 5 - 4.6-8.5 QE PHE 87 - HD2 ARG 84 far 0 100 0 - 6.1-11.7 Violated in 0 structures by 0.00 A. Peak 2588 from cnoeabs.peaks (4.81, 4.81, 54.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HA ASN 85 OK 100 100 - 100 Peak 2589 from cnoeabs.peaks (2.69, 4.81, 54.84 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HA ASN 85 OK 100 100 100 100 2.2-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2590 from cnoeabs.peaks (2.82, 4.81, 54.84 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HA ASN 85 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2595 from cnoeabs.peaks (1.66, 4.81, 54.84 ppm; 6.80 A): 5 out of 5 assignments used, quality = 1.00: * QB ALA 88 + HA ASN 85 OK 100 100 100 100 2.7-3.3 2750=100, 7185/7174=100...(16) HG2 ARG 84 + HA ASN 85 OK 73 73 100 100 2.9-6.0 3.0/11320=76, ~2541=34...(27) HG3 ARG 84 + HA ASN 85 OK 73 73 100 100 2.9-5.5 3.0/11320=76, ~2541=34...(28) HD2 LYS 86 + HA ASN 85 OK 52 100 65 79 7.7-8.9 2671/4.9=38, 7143/3.6=17...(13) HD3 LYS 86 + HA ASN 85 OK 50 100 60 83 6.9-9.1 2682/4.9=38...(11) Violated in 0 structures by 0.00 A. Peak 2596 from cnoeabs.peaks (7.27, 2.69, 37.63 ppm; 6.18 A): 3 out of 4 assignments used, quality = 1.00: * H ASN 85 + HB2 ASN 85 OK 100 100 100 100 2.6-3.6 3.6=100 HD21 ASN 85 + HB2 ASN 85 OK 78 78 100 100 2.8-4.1 3.5=100 HE ARG 84 + HB2 ASN 85 OK 38 90 80 52 5.3-8.9 3.6/9788=25, 3.6/9788=24...(5) QE PHE 87 - HB2 ASN 85 far 0 100 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 2597 from cnoeabs.peaks (4.81, 2.69, 37.63 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HB2 ASN 85 OK 100 100 100 100 2.2-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2598 from cnoeabs.peaks (2.69, 2.69, 37.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HB2 ASN 85 OK 100 100 - 100 Peak 2599 from cnoeabs.peaks (2.82, 2.69, 37.63 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HB2 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2600 from cnoeabs.peaks (7.25, 2.69, 37.63 ppm; 5.11 A): 2 out of 4 assignments used, quality = 1.00: * HD21 ASN 85 + HB2 ASN 85 OK 100 100 100 100 2.8-4.1 3.5=100 H ASN 85 + HB2 ASN 85 OK 78 78 100 100 2.6-3.6 3.6=100 HE ARG 84 - HB2 ASN 85 poor 20 99 20 - 5.3-8.9 QE PHE 87 - HB2 ASN 85 far 0 73 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 2601 from cnoeabs.peaks (8.08, 2.69, 37.63 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + HB2 ASN 85 OK 100 100 100 100 2.2-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2603 from cnoeabs.peaks (7.27, 2.82, 37.63 ppm; 6.27 A): 3 out of 4 assignments used, quality = 1.00: * H ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.1-3.6 3.6=100 HD21 ASN 85 + HB3 ASN 85 OK 78 78 100 100 2.1-4.0 3.5=100 HE ARG 84 + HB3 ASN 85 OK 28 90 60 52 6.3-8.3 3.6/11278=23...(4) QE PHE 87 - HB3 ASN 85 far 0 100 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 2604 from cnoeabs.peaks (4.81, 2.82, 37.63 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2605 from cnoeabs.peaks (2.69, 2.82, 37.63 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HB3 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2606 from cnoeabs.peaks (2.82, 2.82, 37.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HB3 ASN 85 OK 100 100 - 100 Peak 2607 from cnoeabs.peaks (7.25, 2.82, 37.63 ppm; 5.16 A): 2 out of 4 assignments used, quality = 1.00: * HD21 ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.1-4.0 3.5=100 H ASN 85 + HB3 ASN 85 OK 78 78 100 100 2.1-3.6 3.6=100 HE ARG 84 - HB3 ASN 85 far 5 99 5 - 6.3-8.3 QE PHE 87 - HB3 ASN 85 far 0 73 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 2608 from cnoeabs.peaks (8.08, 2.82, 37.63 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 2609 from cnoeabs.peaks (8.34, 2.82, 37.63 ppm; 5.99 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HB3 ASN 85 OK 100 100 100 100 2.7-3.9 4.4=100 Violated in 0 structures by 0.00 A. Peak 2610 from cnoeabs.peaks (8.34, 3.89, 60.84 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HA LYS 86 OK 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 2611 from cnoeabs.peaks (3.89, 3.89, 60.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HA LYS 86 OK 100 100 - 100 Peak 2612 from cnoeabs.peaks (1.79, 3.89, 60.84 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ARG 135 - HA LYS 86 far 0 76 0 - 6.6-11.9 HB2 ARG 84 - HA LYS 86 far 0 93 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 2613 from cnoeabs.peaks (1.95, 3.89, 60.84 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HA LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 90 + HA LYS 86 OK 34 100 35 97 4.4-6.6 3.8/7205=48...(23) HB3 PRO 81 - HA LYS 86 far 0 97 0 - 6.2-8.9 Violated in 0 structures by 0.00 A. Peak 2614 from cnoeabs.peaks (1.42, 3.89, 60.84 ppm; 5.21 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.0-3.2 3.7=100 QB ALA 92 - HA LYS 86 far 0 98 0 - 7.1-7.5 QB ALA 34 - HA LYS 86 far 0 100 0 - 8.9-17.9 Violated in 0 structures by 0.00 A. Peak 2615 from cnoeabs.peaks (1.47, 3.89, 60.84 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HA LYS 86 OK 100 100 100 100 2.0-3.5 3.7=100 Violated in 0 structures by 0.00 A. Peak 2616 from cnoeabs.peaks (1.66, 3.89, 60.84 ppm; 6.02 A): 4 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 3.9-4.9 5.5=100 HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.0-5.2 5.5=100 QB ALA 88 + HA LYS 86 OK 100 100 100 100 5.2-5.5 2750/4.9=87...(21) HG3 ARG 84 + HA LYS 86 OK 28 78 50 72 6.6-9.2 2595/4.9=22, ~7139=15...(12) HG2 ARG 84 - HA LYS 86 poor 19 78 35 70 6.7-9.0 2595/4.9=19, ~7139=15...(11) Violated in 0 structures by 0.00 A. Peak 2617 from cnoeabs.peaks (1.66, 3.89, 60.84 ppm; 6.02 A): 4 out of 5 assignments used, quality = 1.00: HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 3.9-4.9 5.5=100 * HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.0-5.2 5.5=100 QB ALA 88 + HA LYS 86 OK 100 100 100 100 5.2-5.5 2750/4.9=87...(21) HG3 ARG 84 + HA LYS 86 OK 28 78 50 72 6.6-9.2 2595/4.9=22, ~7139=15...(12) HG2 ARG 84 - HA LYS 86 poor 19 78 35 70 6.7-9.0 2595/4.9=19, ~7139=15...(11) Violated in 0 structures by 0.00 A. Peak 2620 from cnoeabs.peaks (8.12, 3.89, 60.84 ppm; 5.85 A): 3 out of 3 assignments used, quality = 1.00: * H PHE 87 + HA LYS 86 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 91 + HA LYS 86 OK 97 98 100 99 5.9-6.6 4.0/7205=72, 7226/4.9=57...(11) H VAL 133 + HA LYS 86 OK 28 60 60 77 6.7-8.8 4.2/11748=38...(9) Violated in 0 structures by 0.00 A. Peak 2621 from cnoeabs.peaks (8.69, 3.89, 60.84 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + HA LYS 86 OK 100 100 100 100 3.3-3.6 7190=100, 7189/4.9=64...(21) Violated in 0 structures by 0.00 A. Peak 2622 from cnoeabs.peaks (3.31, 3.89, 60.84 ppm; 5.90 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 89 + HA LYS 86 OK 100 100 100 100 1.9-3.5 2765=100, 2.7/11327=83...(19) HB3 PHE 89 + HA LYS 86 OK 85 85 100 100 2.1-3.5 1.8/2765=95...(16) HB3 CYS 73 - HA LYS 86 far 0 99 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 2623 from cnoeabs.peaks (3.33, 3.89, 60.84 ppm; 5.90 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + HA LYS 86 OK 100 100 100 100 2.1-3.5 1.8/2765=95, 2774=86...(16) HB2 PHE 89 + HA LYS 86 OK 85 85 100 100 1.9-3.5 2.7/11327=83...(19) HB3 CYS 73 - HA LYS 86 far 0 96 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 2624 from cnoeabs.peaks (3.75, 1.79, 32.72 ppm; 5.47 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 83 + HB2 LYS 86 OK 100 100 100 100 1.8-2.5 2517/11312=93...(25) HA VAL 133 - HB2 LYS 86 far 4 81 5 - 6.9-9.6 HB2 SER 99 - HB3 LYS 24 far 0 54 0 - 9.0-31.4 Violated in 0 structures by 0.00 A. Peak 2625 from cnoeabs.peaks (8.34, 1.79, 32.72 ppm; 4.02 A): 3 out of 21 assignments used, quality = 1.00: * H LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.1-2.7 4.0=100 H LYS 19 + HB3 LYS 19 OK 64 64 100 100 3.5-4.0 3.9=100 H LYS 24 + HB3 LYS 24 OK 30 30 100 100 2.1-3.7 4.1=96, 3.0/482=63...(21) H LYS 26 - HB3 LYS 31 poor 16 32 50 - 3.7-14.5 H LYS 19 - HB3 LYS 24 poor 12 58 20 - 3.6-14.3 H ALA 28 - HB3 LYS 31 far 9 60 15 - 4.1-10.9 H LYS 24 - HB3 LYS 19 poor 7 34 20 - 2.4-13.6 H LYS 19 - HB3 LYS 31 far 6 64 10 - 3.3-24.1 H GLY 14 - HB3 LYS 19 far 6 39 15 - 4.3-17.1 H LYS 26 - HB3 LYS 24 poor 6 28 20 - 4.4-8.0 H GLY 17 - HB3 LYS 31 far 5 49 10 - 3.9-24.9 H ALA 28 - HB3 LYS 19 far 3 60 5 - 4.5-22.0 H ALA 28 - HB3 LYS 24 far 3 54 5 - 3.7-13.3 H LYS 24 - HB3 LYS 31 far 2 34 5 - 4.1-17.4 H LYS 26 - HB3 LYS 19 far 2 32 5 - 3.0-20.1 H GLY 17 - HB3 LYS 19 far 0 50 0 - 5.8-10.6 H GLY 14 - HB3 LYS 24 far 0 35 0 - 5.9-21.7 H GLY 14 - HB3 LYS 31 far 0 39 0 - 6.0-25.0 H GLY 17 - HB3 LYS 24 far 0 44 0 - 6.3-16.3 H GLU 44 - HB3 LYS 24 far 0 59 0 - 9.3-27.4 H GLU 44 - HB3 LYS 19 far 0 66 0 - 9.6-35.5 Violated in 0 structures by 0.00 A. Peak 2626 from cnoeabs.peaks (3.89, 1.79, 32.72 ppm; 4.53 A): 1 out of 20 assignments used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 SER 33 - HB3 LYS 24 far 2 38 5 - 4.4-23.2 HB2 SER 33 - HB3 LYS 31 far 0 43 0 - 6.3-9.0 HB2 SER 60 - HB3 LYS 19 far 0 48 0 - 6.7-34.6 HA ALA 41 - HB3 LYS 24 far 0 41 0 - 6.8-27.4 HB3 SER 60 - HB3 LYS 24 far 0 43 0 - 7.2-27.9 HB3 SER 60 - HB3 LYS 19 far 0 48 0 - 7.5-33.9 HB2 SER 60 - HB3 LYS 24 far 0 43 0 - 7.5-27.4 HB2 SER 60 - HB3 LYS 31 far 0 48 0 - 7.6-25.8 HA3 GLY 75 - HB3 LYS 31 far 0 56 0 - 7.9-25.6 HB3 SER 50 - HB3 LYS 19 far 0 69 0 - 8.2-38.9 HA2 GLY 2 - HB3 LYS 31 far 0 66 0 - 8.3-50.9 HA ALA 41 - HB3 LYS 31 far 0 46 0 - 8.4-21.2 HB3 SER 60 - HB3 LYS 31 far 0 48 0 - 8.6-24.8 HD2 PRO 117 - HB3 LYS 24 far 0 31 0 - 8.7-36.0 HB2 SER 94 - HB3 LYS 24 far 0 51 0 - 8.9-34.2 HA ALA 46 - HB3 LYS 19 far 0 65 0 - 9.3-33.9 HA2 GLY 2 - HB2 LYS 86 far 0 99 0 - 9.5-76.2 HA ALA 41 - HB3 LYS 19 far 0 46 0 - 9.6-35.2 HA3 GLY 2 - HB3 LYS 31 far 0 66 0 - 9.6-51.7 Violated in 0 structures by 0.00 A. Peak 2627 from cnoeabs.peaks (1.79, 1.79, 32.72 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 55 55 - 100 HB3 LYS 31 + HB3 LYS 31 OK 54 54 - 100 HB3 LYS 24 + HB3 LYS 24 OK 46 46 - 100 Peak 2628 from cnoeabs.peaks (1.95, 1.79, 32.72 ppm; 3.14 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 30 - HB3 LYS 31 poor 14 68 20 - 3.3-7.0 HB2 GLN 27 - HB3 LYS 31 far 9 63 15 - 3.5-11.7 HB2 GLU 30 - HB3 LYS 19 far 3 69 5 - 4.6-24.4 HB2 PRO 58 - HB3 LYS 19 far 3 67 5 - 4.6-35.8 HB2 GLN 27 - HB3 LYS 24 far 3 57 5 - 2.0-13.8 HB2 GLN 27 - HB3 LYS 19 far 0 64 0 - 4.8-22.5 HB3 ARG 90 - HB2 LYS 86 far 0 100 0 - 5.3-8.3 HB2 GLU 30 - HB3 LYS 24 far 0 61 0 - 5.4-15.8 HB3 PRO 81 - HB2 LYS 86 far 0 97 0 - 6.1-9.1 HB3 LYS 95 - HB3 LYS 24 far 0 51 0 - 7.9-31.2 HB2 LYS 95 - HB3 LYS 24 far 0 47 0 - 8.5-31.1 HB ILE 37 - HB3 LYS 24 far 0 54 0 - 8.5-24.6 HB ILE 37 - HB3 LYS 19 far 0 60 0 - 8.9-31.8 Violated in 0 structures by 0.00 A. Peak 2629 from cnoeabs.peaks (1.42, 1.79, 32.72 ppm; 3.93 A): 5 out of 22 assignments used, quality = 1.00: * HG2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 48 48 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 45 45 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 36 36 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HB3 LYS 31 OK 23 61 40 95 2.5-17.3 628/1.8=7, 629=7, ~639=5...(113) HG3 LYS 24 - HB3 LYS 19 poor 12 41 30 - 2.0-15.5 HG13 ILE 32 - HB3 LYS 31 poor 11 53 20 - 3.7-7.2 HG3 LYS 19 - HB3 LYS 24 far 4 39 10 - 3.9-16.0 QB ALA 34 - HB3 LYS 24 far 3 61 5 - 4.6-20.2 QB ALA 16 - HB3 LYS 19 far 3 56 5 - 4.9-10.4 QB ALA 16 - HB3 LYS 31 far 3 56 5 - 3.6-22.8 HG2 LYS 31 - HB3 LYS 19 far 2 48 5 - 4.2-25.3 HG13 ILE 32 - HB3 LYS 24 far 2 47 5 - 5.3-17.6 HG3 LYS 19 - HB3 LYS 31 far 2 44 5 - 4.5-27.7 HG2 LYS 31 - HB3 LYS 24 far 2 43 5 - 4.5-18.4 HG3 LYS 24 - HB3 LYS 31 far 2 41 5 - 5.0-17.6 HG2 LYS 26 - HB3 LYS 24 far 0 55 0 - 5.5-11.9 QB ALA 16 - HB3 LYS 24 far 0 50 0 - 6.0-15.3 HG2 LYS 26 - HB3 LYS 19 far 0 61 0 - 6.8-23.3 HG13 ILE 32 - HB3 LYS 19 far 0 53 0 - 8.3-24.4 QB ALA 34 - HB3 LYS 31 far 0 68 0 - 9.1-11.7 QB ALA 92 - HB2 LYS 86 far 0 98 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 2630 from cnoeabs.peaks (1.47, 1.79, 32.72 ppm; 4.16 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 30 30 100 100 2.2-3.0 2.9=100 HG3 LYS 24 - HB3 LYS 19 poor 10 34 30 - 2.0-15.5 QB ALA 52 - HB3 LYS 24 far 3 60 5 - 5.0-22.6 HG3 LYS 36 - HB3 LYS 24 far 3 58 5 - 3.5-27.2 HG3 LYS 24 - HB3 LYS 31 far 2 34 5 - 5.0-17.6 HG3 LYS 36 - HB3 LYS 31 far 0 65 0 - 6.0-13.7 QB ALA 52 - HB3 LYS 19 far 0 67 0 - 7.2-28.5 HG3 LYS 36 - HB3 LYS 19 far 0 65 0 - 8.3-32.7 HB2 LEU 49 - HB3 LYS 19 far 0 45 0 - 9.5-31.7 Violated in 0 structures by 0.00 A. Peak 2631 from cnoeabs.peaks (1.66, 1.79, 32.72 ppm; 4.27 A): 12 out of 39 assignments used, quality = 1.00: HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.0-4.1 3.5=100 * HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.3-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.5-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 64 64 100 100 2.1-3.7 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 64 64 100 100 2.2-3.7 3.9=100 HD3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 26 68 40 97 2.9-17.3 2.9/2629=6, ~639=5...(148) HD3 LYS 26 + HB3 LYS 31 OK 26 68 40 96 3.4-17.4 2.9/2629=6, 6336/4.0=5...(114) HD2 LYS 24 + HB3 LYS 19 OK 22 68 35 92 2.0-16.0 ~823=3, 3.0/284=3...(124) HD3 LYS 24 + HB3 LYS 19 OK 21 69 35 87 3.5-15.3 ~823=3, 3.0/284=3...(90) HG2 ARG 84 - HB2 LYS 86 poor 16 78 20 - 5.5-8.0 HD3 LYS 19 - HB3 LYS 24 poor 11 57 20 - 2.0-16.3 HD2 LYS 19 - HB3 LYS 24 far 8 57 15 - 3.7-15.7 HD3 LYS 36 - HB3 LYS 24 far 6 56 10 - 5.5-25.2 HG3 ARG 84 - HB2 LYS 86 far 4 78 5 - 5.4-8.3 HD2 LYS 19 - HB3 LYS 31 far 3 63 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 3 63 5 - 4.1-28.8 HD2 LYS 31 - HB3 LYS 24 far 3 61 5 - 5.4-17.9 HB2 LEU 98 - HB3 LYS 24 far 3 59 5 - 5.2-34.1 HD2 LYS 36 - HB3 LYS 24 far 3 56 5 - 4.2-24.7 HD3 LYS 31 - HB3 LYS 19 far 0 69 0 - 5.9-24.7 HD2 LYS 31 - HB3 LYS 19 far 0 68 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 100 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 61 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 61 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 69 0 - 6.5-21.2 HD3 LYS 26 - HB3 LYS 19 far 0 69 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 62 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 68 0 - 6.8-18.8 HD3 LYS 36 - HB3 LYS 31 far 0 62 0 - 7.1-13.3 HD2 LYS 24 - HB3 LYS 31 far 0 68 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 61 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 61 0 - 7.7-11.2 HD2 LYS 95 - HB3 LYS 24 far 0 60 0 - 8.2-34.6 HB2 LEU 69 - HB3 LYS 24 far 0 57 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 63 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 46 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 2632 from cnoeabs.peaks (1.66, 1.79, 32.72 ppm; 4.27 A): 12 out of 39 assignments used, quality = 1.00: * HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.3-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 68 68 100 100 2.5-4.2 3.5=100 HD3 LYS 19 + HB3 LYS 19 OK 64 64 100 100 2.1-3.7 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 64 64 100 100 2.2-3.7 3.9=100 HD3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 26 68 40 97 2.9-17.3 2.9/2629=6, ~639=5...(148) HD3 LYS 26 + HB3 LYS 31 OK 26 68 40 96 3.4-17.4 2.9/2629=6, 6336/4.0=5...(114) HD2 LYS 24 + HB3 LYS 19 OK 22 68 35 92 2.0-16.0 ~823=3, 3.0/284=3...(124) HD3 LYS 24 + HB3 LYS 19 OK 21 69 35 87 3.5-15.3 ~823=3, 3.0/284=3...(90) HG2 ARG 84 - HB2 LYS 86 poor 16 78 20 - 5.5-8.0 HD3 LYS 19 - HB3 LYS 24 poor 11 57 20 - 2.0-16.3 HD2 LYS 19 - HB3 LYS 24 far 8 57 15 - 3.7-15.7 HD3 LYS 36 - HB3 LYS 24 far 6 56 10 - 5.5-25.2 HG3 ARG 84 - HB2 LYS 86 far 4 78 5 - 5.4-8.3 HD2 LYS 19 - HB3 LYS 31 far 3 63 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 3 63 5 - 4.1-28.8 HD2 LYS 31 - HB3 LYS 24 far 3 61 5 - 5.4-17.9 HB2 LEU 98 - HB3 LYS 24 far 3 59 5 - 5.2-34.1 HD2 LYS 36 - HB3 LYS 24 far 3 56 5 - 4.2-24.7 HD3 LYS 31 - HB3 LYS 19 far 0 69 0 - 5.9-24.7 HD2 LYS 31 - HB3 LYS 19 far 0 68 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 100 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 61 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 61 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 69 0 - 6.5-21.2 HD3 LYS 26 - HB3 LYS 19 far 0 69 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 62 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 68 0 - 6.8-18.8 HD3 LYS 36 - HB3 LYS 31 far 0 62 0 - 7.1-13.3 HD2 LYS 24 - HB3 LYS 31 far 0 68 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 61 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 61 0 - 7.7-11.2 HD2 LYS 95 - HB3 LYS 24 far 0 60 0 - 8.2-34.6 HB2 LEU 69 - HB3 LYS 24 far 0 57 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 63 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 46 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 2634 from cnoeabs.peaks (2.96, 1.79, 32.72 ppm; 6.80 A): 11 out of 35 assignments used, quality = 1.00: * HE3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 3.0-3.5 4.9=100 HE2 LYS 19 + HB3 LYS 19 OK 69 69 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.3-4.8 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 67 67 100 100 2.0-5.2 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 65 65 100 100 2.0-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.8-5.3 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.0-5.1 5.1=100 HE2 LYS 26 + HB3 LYS 31 OK 39 65 60 99 2.2-19.2 6337/4.0=9, 3.6/2629=9...(163) HE3 LYS 26 + HB3 LYS 31 OK 39 65 60 99 3.3-19.0 6337/4.0=9, 3.6/2629=9...(158) HE3 LYS 24 + HB3 LYS 19 OK 33 68 50 97 3.9-16.9 1228/1.8=6, 11770/3.0=5...(161) HE2 LYS 24 + HB3 LYS 19 OK 23 68 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 - HB3 LYS 24 poor 18 61 35 83 3.5-17.2 532/2.9=2, 613/1.8=2...(106) HE3 LYS 19 - HB3 LYS 24 poor 17 60 35 78 4.6-17.1 532/2.9=3, 6.4/240=2...(90) HE2 LYS 24 - HB3 LYS 31 poor 13 67 20 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 13 68 55 34 4.9-14.1 6337/4.0=4, 10813/9821=1 HE3 LYS 24 - HB3 LYS 31 far 10 68 15 - 6.7-20.0 HE3 LYS 19 - HB3 LYS 31 far 10 67 15 - 6.2-27.1 HE2 LYS 36 - HB3 LYS 31 poor 9 68 35 39 5.3-14.3 6337/4.0=2, 10813/9821=2...(14) HD2 ARG 135 - HB2 LYS 86 far 8 81 10 - 7.9-12.6 HE2 LYS 31 - HB3 LYS 19 far 7 67 10 - 6.5-26.1 HE2 LYS 26 - HB3 LYS 19 far 7 65 10 - 6.1-23.7 HE3 LYS 31 - HB3 LYS 19 far 7 65 10 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 7 65 10 - 7.6-23.7 HE2 LYS 36 - HB3 LYS 24 far 6 61 10 - 3.5-25.9 HE2 LYS 26 - HB3 LYS 24 lone 4 58 45 17 5.5-13.1 ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 4 58 35 21 4.8-12.9 ~294=1 HE2 LYS 19 - HB3 LYS 31 far 3 68 5 - 5.8-26.9 HE3 LYS 36 - HB3 LYS 24 far 3 61 5 - 5.2-26.7 HE2 LYS 31 - HB3 LYS 24 far 3 60 5 - 7.8-18.3 HE3 LYS 31 - HB3 LYS 24 far 3 58 5 - 7.6-18.3 HB3 ASN 116 - HB3 LYS 24 far 0 35 0 - 8.6-32.7 HB3 ASN 121 - HB3 LYS 24 far 0 51 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 54 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 68 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 55 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (8.12, 1.79, 32.72 ppm; 4.68 A): 3 out of 14 assignments used, quality = 1.00: * H PHE 87 + HB2 LYS 86 OK 100 100 100 100 2.2-3.6 4.6=100 H THR 25 + HB3 LYS 24 OK 54 54 100 100 1.9-4.5 4.7=100 H ILE 32 + HB3 LYS 31 OK 43 43 100 100 2.7-4.6 4.6=100 H THR 25 - HB3 LYS 19 poor 12 60 20 - 2.3-15.8 H THR 25 - HB3 LYS 31 poor 12 60 20 - 4.3-14.4 H ALA 15 - HB3 LYS 19 far 4 39 10 - 4.2-16.3 H ALA 15 - HB3 LYS 31 far 4 39 10 - 2.8-26.7 H ALA 15 - HB3 LYS 24 far 2 35 5 - 5.4-20.9 H ILE 32 - HB3 LYS 24 far 0 38 0 - 6.8-17.6 H ILE 32 - HB3 LYS 19 far 0 43 0 - 6.8-25.6 H GLU 91 - HB2 LYS 86 far 0 98 0 - 7.3-8.4 H VAL 133 - HB2 LYS 86 far 0 60 0 - 8.8-11.1 H ASP 71 - HB3 LYS 24 far 0 43 0 - 8.8-22.7 H ASP 71 - HB3 LYS 31 far 0 48 0 - 9.5-18.0 Violated in 0 structures by 0.00 A. Peak 2636 from cnoeabs.peaks (3.75, 1.95, 32.72 ppm; 4.64 A): 2 out of 8 assignments used, quality = 1.00: * HA THR 83 + HB3 LYS 86 OK 100 100 100 100 2.2-3.9 2624/1.8=87, 2512=85...(19) HA VAL 133 + HB3 PRO 81 OK 51 65 85 93 3.9-7.9 ~11757=33, 4234/1.8=21...(23) HB2 SER 99 - HB3 LYS 95 poor 12 36 95 35 4.0-6.6 3208/3.0=11, 3209/4.6=9...(9) HB2 SER 99 - HB2 LYS 95 poor 9 29 30 - 4.7-7.9 HA VAL 133 - HB3 LYS 86 far 0 81 0 - 6.5-10.4 HA THR 83 - HB3 PRO 81 far 0 88 0 - 6.6-8.2 HA GLU 97 - HB3 LYS 95 far 0 33 0 - 7.3-8.5 HA GLU 97 - HB2 LYS 95 far 0 27 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 2637 from cnoeabs.peaks (8.34, 1.95, 32.72 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.3-3.6 4.0=100 H LYS 86 - HB3 PRO 81 far 9 88 10 - 5.2-8.3 H ALA 28 - HB2 LYS 95 far 0 29 0 - 9.4-25.2 H ALA 28 - HB3 LYS 95 far 0 36 0 - 9.8-26.3 Violated in 0 structures by 0.00 A. Peak 2638 from cnoeabs.peaks (3.89, 1.95, 32.72 ppm; 4.74 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 SER 94 - HB2 LYS 95 poor 16 28 80 71 5.6-7.4 4.4/7300=28, 3.6/9221=22...(8) HA LYS 86 - HB3 PRO 81 far 4 88 5 - 6.2-8.9 HB2 SER 94 - HB3 LYS 95 far 3 34 10 - 6.1-7.4 HA LEU 70 - HB2 LYS 95 far 0 33 0 - 8.6-10.3 HA LEU 70 - HB3 LYS 95 far 0 40 0 - 9.2-11.1 HD2 PRO 117 - HB3 LYS 95 far 0 20 0 - 9.7-15.2 HA2 GLY 2 - HB3 LYS 86 far 0 99 0 - 10.0-74.4 Violated in 0 structures by 0.00 A. Peak 2639 from cnoeabs.peaks (1.79, 1.95, 32.72 ppm; 3.12 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 98 - HB3 LYS 95 poor 19 38 55 92 3.7-6.3 2963/3.0=33, ~3158=22...(31) HB3 ARG 135 - HB3 PRO 81 poor 15 60 25 - 3.0-10.1 HB3 LEU 122 - HB3 LYS 95 far 0 42 0 - 4.8-9.0 HB3 LEU 98 - HB2 LYS 95 far 0 31 0 - 4.9-7.1 HB3 LEU 122 - HB2 LYS 95 far 0 34 0 - 5.8-9.5 HB2 LYS 86 - HB3 PRO 81 far 0 88 0 - 6.1-9.1 HB2 ARG 84 - HB3 PRO 81 far 0 77 0 - 6.4-11.0 HB2 ARG 84 - HB3 LYS 86 far 0 93 0 - 6.5-8.5 HB2 LEU 100 - HB3 LYS 95 far 0 22 0 - 7.6-9.8 HB3 LYS 24 - HB3 LYS 95 far 0 30 0 - 7.9-31.2 HB3 ARG 135 - HB3 LYS 86 far 0 76 0 - 8.2-13.5 HB3 LYS 24 - HB2 LYS 95 far 0 25 0 - 8.5-31.1 HG LEU 100 - HB3 LYS 95 far 0 31 0 - 9.3-11.7 HG LEU 100 - HB2 LYS 95 far 0 26 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 2640 from cnoeabs.peaks (1.95, 1.95, 32.72 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 HB3 PRO 81 + HB3 PRO 81 OK 82 82 - 100 HB3 LYS 95 + HB3 LYS 95 OK 34 34 - 100 HB2 LYS 95 + HB2 LYS 95 OK 26 26 - 100 Peak 2641 from cnoeabs.peaks (1.42, 1.95, 32.72 ppm; 4.49 A): 3 out of 9 assignments used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 92 + HB3 LYS 95 OK 35 39 90 100 4.7-6.1 9948/1.8=71, 9948=48...(24) QB ALA 92 + HB2 LYS 95 OK 32 32 100 100 3.5-5.5 9948=75, 9948/1.8=39...(26) HG LEU 96 - HB3 LYS 95 poor 9 26 35 - 4.9-8.2 HG LEU 96 - HB2 LYS 95 poor 8 21 40 - 4.0-7.3 HG2 LYS 86 - HB3 PRO 81 far 0 88 0 - 6.1-10.1 HG3 LYS 24 - HB3 LYS 95 far 0 24 0 - 6.7-33.2 QB ALA 92 - HB3 LYS 86 far 0 98 0 - 8.8-9.3 QB ALA 34 - HB3 PRO 81 far 0 88 0 - 9.2-18.6 Violated in 0 structures by 0.00 A. Peak 2642 from cnoeabs.peaks (1.47, 1.95, 32.72 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 86 - HB3 PRO 81 far 9 88 10 - 5.4-10.4 Violated in 0 structures by 0.00 A. Peak 2643 from cnoeabs.peaks (1.66, 1.95, 32.72 ppm; 4.56 A): 6 out of 26 assignments used, quality = 1.00: * HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HD3 LYS 95 + HB3 LYS 95 OK 42 42 100 100 2.8-3.8 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 41 41 100 100 3.3-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 34 34 100 100 1.9-3.7 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 33 33 100 100 2.0-4.2 3.7=100 HB2 LEU 98 - HB3 LYS 95 poor 20 40 50 - 5.1-7.4 HD2 LYS 39 - HB3 PRO 81 poor 17 69 25 - 5.2-12.1 HD3 LYS 86 - HB3 PRO 81 far 4 88 5 - 5.8-10.6 HG2 ARG 84 - HB3 LYS 86 far 4 78 5 - 5.5-9.6 HD3 LYS 24 - HB3 LYS 95 far 2 42 5 - 5.1-34.1 HD2 LYS 24 - HB3 LYS 95 far 2 41 5 - 5.6-35.2 HG3 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.1-9.4 HD3 LYS 24 - HB2 LYS 95 far 0 34 0 - 6.2-33.9 HD2 LYS 24 - HB2 LYS 95 far 0 34 0 - 6.2-35.0 QB ALA 88 - HB3 LYS 86 far 0 100 0 - 6.3-6.9 HB2 LEU 98 - HB2 LYS 95 far 0 33 0 - 6.4-8.0 HD2 LYS 86 - HB3 PRO 81 far 0 88 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 62 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 62 0 - 6.7-12.8 QB ALA 88 - HB2 LYS 95 far 0 34 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 88 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 74 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 39 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 41 0 - 8.9-10.4 HB2 LEU 123 - HB2 LYS 95 far 0 32 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2644 from cnoeabs.peaks (1.66, 1.95, 32.72 ppm; 4.56 A): 6 out of 26 assignments used, quality = 1.00: HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.0-4.0 3.5=100 * HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HD3 LYS 95 + HB3 LYS 95 OK 42 42 100 100 2.8-3.8 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 41 41 100 100 3.3-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 34 34 100 100 1.9-3.7 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 33 33 100 100 2.0-4.2 3.7=100 HB2 LEU 98 - HB3 LYS 95 poor 20 40 50 - 5.1-7.4 HD2 LYS 39 - HB3 PRO 81 poor 17 69 25 - 5.2-12.1 HD3 LYS 86 - HB3 PRO 81 far 4 88 5 - 5.8-10.6 HG2 ARG 84 - HB3 LYS 86 far 4 78 5 - 5.5-9.6 HD3 LYS 24 - HB3 LYS 95 far 2 42 5 - 5.1-34.1 HD2 LYS 24 - HB3 LYS 95 far 2 41 5 - 5.6-35.2 HG3 ARG 84 - HB3 LYS 86 far 0 78 0 - 6.1-9.4 HD3 LYS 24 - HB2 LYS 95 far 0 34 0 - 6.2-33.9 HD2 LYS 24 - HB2 LYS 95 far 0 34 0 - 6.2-35.0 QB ALA 88 - HB3 LYS 86 far 0 100 0 - 6.3-6.9 HB2 LEU 98 - HB2 LYS 95 far 0 33 0 - 6.4-8.0 HD2 LYS 86 - HB3 PRO 81 far 0 88 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 62 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 62 0 - 6.7-12.8 QB ALA 88 - HB2 LYS 95 far 0 34 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 88 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 74 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 39 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 41 0 - 8.9-10.4 HB2 LEU 123 - HB2 LYS 95 far 0 32 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2645 from cnoeabs.peaks (3.07, 1.95, 32.72 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.1-4.3 4.9=100 HE2 LYS 86 - HB3 PRO 81 poor 18 88 20 - 6.9-11.2 HB3 HIS 5 - HB3 PRO 81 far 4 88 5 - 5.7-67.4 Violated in 0 structures by 0.00 A. Peak 2646 from cnoeabs.peaks (2.96, 1.95, 32.72 ppm; 6.16 A): 2 out of 14 assignments used, quality = 1.00: * HE3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 1.8-4.0 4.9=100 HE2 LYS 39 + HB3 PRO 81 OK 20 49 45 92 3.7-13.4 ~1166=19, ~1167=18...(20) HE3 LYS 86 - HB3 PRO 81 far 13 88 15 - 7.0-11.2 HD2 ARG 135 - HB3 PRO 81 poor 11 65 35 47 6.4-11.0 ~10147=19, ~10147=17...(8) HB3 ASN 121 - HB2 LYS 95 poor 7 28 25 - 5.4-9.7 HB3 ASN 121 - HB3 LYS 95 lone 2 34 85 8 3.7-8.4 ~10330=4, 11092/9327=2 HE3 LYS 24 - HB3 LYS 95 far 2 41 5 - 6.0-34.3 HE2 LYS 24 - HB3 LYS 95 far 2 41 5 - 7.4-32.8 HE3 LYS 24 - HB2 LYS 95 far 2 34 5 - 6.8-34.1 HE2 LYS 24 - HB2 LYS 95 far 0 34 0 - 8.0-32.6 HD2 ARG 135 - HB3 LYS 86 far 0 81 0 - 9.0-13.5 HB3 ASN 116 - HB3 LYS 95 far 0 23 0 - 9.4-16.0 HG CYS 73 - HB2 LYS 95 far 0 21 0 - 9.6-12.2 HE2 LYS 39 - HB3 LYS 86 far 0 63 0 - 9.7-17.3 Violated in 0 structures by 0.00 A. Peak 2647 from cnoeabs.peaks (8.12, 1.95, 32.72 ppm; 4.49 A): 1 out of 9 assignments used, quality = 1.00: * H PHE 87 + HB3 LYS 86 OK 100 100 100 100 2.5-4.0 7157=100, 7156/1.8=92...(30) H ASN 121 - HB3 LYS 95 far 2 41 5 - 5.6-10.3 H GLU 91 - HB3 LYS 86 far 0 98 0 - 6.6-8.5 H VAL 133 - HB3 PRO 81 far 0 47 0 - 6.6-10.6 H GLU 91 - HB2 LYS 95 far 0 32 0 - 6.9-9.0 H ASN 121 - HB2 LYS 95 far 0 33 0 - 7.2-11.4 H GLU 91 - HB3 LYS 95 far 0 39 0 - 7.7-9.7 H PHE 87 - HB3 PRO 81 far 0 88 0 - 8.0-10.9 H VAL 133 - HB3 LYS 86 far 0 60 0 - 8.5-11.6 Violated in 0 structures by 0.00 A. Peak 2648 from cnoeabs.peaks (8.34, 1.42, 25.00 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + HG2 LYS 86 OK 100 100 100 100 3.4-4.6 4.5=100 Violated in 0 structures by 0.00 A. Peak 2649 from cnoeabs.peaks (3.89, 1.42, 25.00 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.0-3.2 3.7=100 HA3 GLY 75 - HG2 LYS 86 far 0 90 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. Peak 2650 from cnoeabs.peaks (1.79, 1.42, 25.00 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 - HG2 LYS 86 far 0 93 0 - 8.5-9.6 HB3 ARG 135 - HG2 LYS 86 far 0 76 0 - 9.0-14.4 Violated in 0 structures by 0.00 A. Peak 2651 from cnoeabs.peaks (1.95, 1.42, 25.00 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 90 + HG2 LYS 86 OK 67 100 70 96 4.8-8.0 11152/9650=28...(22) HB3 PRO 81 - HG2 LYS 86 far 5 97 5 - 6.1-10.1 Violated in 0 structures by 0.00 A. Peak 2652 from cnoeabs.peaks (1.42, 1.42, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 Peak 2653 from cnoeabs.peaks (1.47, 1.42, 25.00 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2654 from cnoeabs.peaks (1.66, 1.42, 25.00 ppm; 4.39 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 100 0 - 6.8-7.9 HG3 ARG 84 - HG2 LYS 86 far 0 78 0 - 7.6-10.8 HG2 ARG 84 - HG2 LYS 86 far 0 78 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2655 from cnoeabs.peaks (1.66, 1.42, 25.00 ppm; 4.39 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 100 0 - 6.8-7.9 HG3 ARG 84 - HG2 LYS 86 far 0 78 0 - 7.6-10.8 HG2 ARG 84 - HG2 LYS 86 far 0 78 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2656 from cnoeabs.peaks (3.07, 1.42, 25.00 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.6-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 2657 from cnoeabs.peaks (2.96, 1.42, 25.00 ppm; 5.28 A): 1 out of 3 assignments used, quality = 1.00: * HE3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.0-2.9 3.7=100 HE2 LYS 39 - HG2 LYS 86 far 0 63 0 - 8.6-16.0 HD2 ARG 135 - HG2 LYS 86 far 0 81 0 - 8.6-14.6 Violated in 0 structures by 0.00 A. Peak 2658 from cnoeabs.peaks (8.12, 1.42, 25.00 ppm; 6.03 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 87 + HG2 LYS 86 OK 100 100 100 100 3.7-5.2 7158=100, 7157/3.0=99...(25) H GLU 91 + HG2 LYS 86 OK 48 98 55 89 6.4-8.9 3.6/9897=34...(7) H VAL 133 - HG2 LYS 86 far 0 60 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 2659 from cnoeabs.peaks (8.34, 1.47, 25.00 ppm; 4.72 A): 1 out of 8 assignments used, quality = 1.00: * H LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.4-4.5 4.5=100 H LYS 19 - HG3 LYS 36 far 5 90 5 - 5.6-32.6 H TYR 72 - HG3 LYS 36 lone 3 77 30 14 4.9-12.4 2.9/11139=7, 11831/4.0=4 H LYS 24 - HG3 LYS 36 far 3 52 5 - 5.9-27.2 H GLY 17 - HG3 LYS 36 far 0 73 0 - 6.3-33.2 H LYS 26 - HG3 LYS 36 far 0 49 0 - 7.4-24.2 H GLU 44 - HG3 LYS 36 far 0 92 0 - 7.5-14.3 H ALA 28 - HG3 LYS 36 far 0 86 0 - 8.2-19.4 Violated in 0 structures by 0.00 A. Peak 2660 from cnoeabs.peaks (3.89, 1.47, 25.00 ppm; 5.37 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.0-3.5 3.7=100 HB2 SER 33 + HG3 LYS 36 OK 50 64 80 98 3.3-8.6 ~10775=28, ~10856=24...(21) HA ALA 41 - HG3 LYS 36 poor 17 69 25 - 4.9-12.4 HA ALA 46 - HG3 LYS 36 far 0 91 0 - 8.0-16.1 HA3 GLY 75 - HG3 LYS 86 far 0 90 0 - 8.7-13.1 HA LEU 70 - HG3 LYS 36 far 0 92 0 - 8.9-14.5 HA2 GLY 2 - HG3 LYS 36 far 0 92 0 - 8.9-57.1 HA3 GLY 75 - HG3 LYS 36 far 0 81 0 - 9.2-19.1 Violated in 0 structures by 0.00 A. Peak 2661 from cnoeabs.peaks (1.79, 1.47, 25.00 ppm; 4.16 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HG3 LYS 36 OK 69 69 100 100 2.2-3.0 3.0=100 HB ILE 32 + HG3 LYS 36 OK 40 67 60 99 1.9-8.0 2.1/10901=45, ~10810=35...(48) HB3 LYS 24 - HG3 LYS 36 far 4 75 5 - 3.5-27.2 HB3 LYS 26 - HG3 LYS 36 far 3 64 5 - 5.1-23.3 HB3 ARG 23 - HG3 LYS 36 far 0 54 0 - 5.8-24.6 HB3 LYS 31 - HG3 LYS 36 far 0 79 0 - 6.0-13.7 HB2 ARG 84 - HG3 LYS 86 far 0 93 0 - 7.0-9.6 HB3 ARG 135 - HG3 LYS 86 far 0 76 0 - 7.5-13.0 HB2 LEU 48 - HG3 LYS 36 far 0 84 0 - 7.8-18.3 HB3 LYS 19 - HG3 LYS 36 far 0 79 0 - 8.3-32.7 Violated in 0 structures by 0.00 A. Peak 2662 from cnoeabs.peaks (1.95, 1.47, 25.00 ppm; 4.95 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 90 + HG3 LYS 86 OK 39 100 40 97 3.6-8.6 2651/1.8=32...(23) HB ILE 37 + HG3 LYS 36 OK 39 86 45 100 4.9-8.3 6413/6407=72...(22) HB3 PRO 81 - HG3 LYS 86 far 15 97 15 - 5.4-10.4 HB2 GLN 27 - HG3 LYS 36 far 0 89 0 - 7.6-19.6 HB2 GLU 30 - HG3 LYS 36 far 0 94 0 - 9.0-14.3 Violated in 0 structures by 0.00 A. Peak 2663 from cnoeabs.peaks (1.42, 1.47, 25.00 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 36 far 4 77 5 - 3.9-10.0 HG3 LYS 24 - HG3 LYS 36 far 0 62 0 - 4.4-26.2 HG2 LYS 31 - HG3 LYS 36 far 0 71 0 - 4.8-14.2 QB ALA 34 - HG3 LYS 36 far 0 94 0 - 5.3-7.2 HG2 LYS 26 - HG3 LYS 36 far 0 87 0 - 5.7-25.4 QB ALA 16 - HG3 LYS 36 far 0 81 0 - 6.7-26.7 QB ALA 34 - HG3 LYS 86 far 0 100 0 - 8.1-18.3 QB ALA 92 - HG3 LYS 86 far 0 98 0 - 8.1-9.9 HG3 LYS 19 - HG3 LYS 36 far 0 67 0 - 8.8-34.2 Violated in 0 structures by 0.00 A. Peak 2664 from cnoeabs.peaks (1.47, 1.47, 25.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 HG3 LYS 36 + HG3 LYS 36 OK 91 91 - 100 Peak 2665 from cnoeabs.peaks (1.66, 1.47, 25.00 ppm; 3.44 A): 4 out of 18 assignments used, quality = 1.00: HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.2-2.7 3.0=100 * HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.3-2.8 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.5-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 36 far 5 94 5 - 3.6-25.1 HD2 LYS 26 - HG3 LYS 36 far 0 94 0 - 5.1-26.0 HD2 LYS 24 - HG3 LYS 36 far 0 94 0 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 0 94 0 - 5.6-12.6 HD2 LYS 31 - HG3 LYS 36 far 0 94 0 - 5.8-13.8 QB ALA 88 - HG3 LYS 86 far 0 100 0 - 6.2-7.8 HD3 LYS 24 - HG3 LYS 36 far 0 94 0 - 6.5-26.8 HG2 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.1-10.3 HB2 LEU 69 - HG3 LYS 36 far 0 89 0 - 7.2-13.2 HG3 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.2-10.6 HG LEU 43 - HG3 LYS 36 far 0 81 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 89 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 89 0 - 9.7-35.0 HD2 LYS 39 - HG3 LYS 86 far 0 85 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2666 from cnoeabs.peaks (1.66, 1.47, 25.00 ppm; 3.44 A): 4 out of 18 assignments used, quality = 1.00: * HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.2-2.7 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.3-2.8 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 88 88 100 100 2.5-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 36 far 5 94 5 - 3.6-25.1 HD2 LYS 26 - HG3 LYS 36 far 0 94 0 - 5.1-26.0 HD2 LYS 24 - HG3 LYS 36 far 0 94 0 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 0 94 0 - 5.6-12.6 HD2 LYS 31 - HG3 LYS 36 far 0 94 0 - 5.8-13.8 QB ALA 88 - HG3 LYS 86 far 0 100 0 - 6.2-7.8 HD3 LYS 24 - HG3 LYS 36 far 0 94 0 - 6.5-26.8 HG2 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.1-10.3 HB2 LEU 69 - HG3 LYS 36 far 0 89 0 - 7.2-13.2 HG3 ARG 84 - HG3 LYS 86 far 0 78 0 - 7.2-10.6 HG LEU 43 - HG3 LYS 36 far 0 81 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 89 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 89 0 - 9.7-35.0 HD2 LYS 39 - HG3 LYS 86 far 0 85 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2667 from cnoeabs.peaks (3.07, 1.47, 25.00 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 3.5-4.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 2668 from cnoeabs.peaks (2.96, 1.47, 25.00 ppm; 4.52 A): 3 out of 14 assignments used, quality = 1.00: * HE3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 3.3-3.7 3.7=100 HE2 LYS 36 + HG3 LYS 36 OK 94 94 100 100 2.0-4.1 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 94 94 100 100 2.2-3.5 4.0=100 HB2 CYS 45 - HG3 LYS 36 poor 20 79 25 - 4.0-12.1 HE2 LYS 26 - HG3 LYS 36 poor 18 91 30 65 4.5-27.4 1004/3.0=6...(15) HE3 LYS 26 - HG3 LYS 36 poor 17 91 30 64 4.4-26.9 1003/3.0=7...(17) HE2 LYS 24 - HG3 LYS 36 far 5 93 5 - 4.6-28.4 HE2 LYS 31 - HG3 LYS 36 far 5 93 5 - 4.4-14.3 HE3 LYS 31 - HG3 LYS 36 far 5 91 5 - 3.7-15.5 HE3 LYS 24 - HG3 LYS 36 far 0 94 0 - 6.2-28.3 HG CYS 73 - HG3 LYS 36 far 0 67 0 - 7.2-14.3 HD2 ARG 135 - HG3 LYS 86 far 0 81 0 - 7.9-14.0 HE2 LYS 39 - HG3 LYS 86 far 0 63 0 - 8.8-17.3 HE2 LYS 19 - HG3 LYS 36 far 0 94 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 2669 from cnoeabs.peaks (8.12, 1.47, 25.00 ppm; 6.16 A): 3 out of 7 assignments used, quality = 1.00: * H PHE 87 + HG3 LYS 86 OK 100 100 100 100 2.3-5.0 7157/3.0=99, 7156/3.0=99...(22) H GLU 91 + HG3 LYS 86 OK 51 98 70 75 6.2-9.2 2620/3.7=31, 2658/1.8=28...(6) H ILE 32 + HG3 LYS 36 OK 42 64 70 94 4.8-10.5 4.0/10901=67, ~10762=31...(13) H THR 25 - HG3 LYS 36 far 4 86 5 - 6.4-25.2 H ASP 71 - HG3 LYS 36 lone 2 71 30 9 6.9-13.1 3.4/2659=3, 6965/10901=3 H VAL 133 - HG3 LYS 86 far 0 60 0 - 7.7-10.8 H ALA 15 - HG3 LYS 36 far 0 59 0 - 8.4-32.5 Violated in 0 structures by 0.00 A. Peak 2670 from cnoeabs.peaks (8.34, 1.66, 29.87 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: H LYS 86 + HD3 LYS 86 OK 100 100 100 100 3.4-6.0 5.6=100 * H LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.5-5.7 5.6=100 H GLU 44 - HD2 LYS 39 poor 17 58 30 - 7.3-9.8 H LYS 24 - HD2 LYS 39 far 0 29 0 - 9.8-33.1 Violated in 0 structures by 0.00 A. Peak 2671 from cnoeabs.peaks (3.89, 1.66, 29.87 ppm; 6.40 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.9-4.9 5.5=100 HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.0-5.2 5.5=100 HA ALA 41 - HD2 LYS 39 far 4 40 10 - 7.2-9.6 HA3 GLY 75 - HD3 LYS 86 far 0 90 0 - 8.0-13.6 HA3 GLY 75 - HD2 LYS 86 far 0 90 0 - 8.5-13.8 Violated in 0 structures by 0.00 A. Peak 2672 from cnoeabs.peaks (1.79, 1.66, 29.87 ppm; 3.78 A): 2 out of 8 assignments used, quality = 1.00: HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.0-4.1 3.5=100 * HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-4.0 3.5=100 HB2 ARG 84 - HD3 LYS 86 far 0 93 0 - 7.1-10.8 HB2 ARG 84 - HD2 LYS 86 far 0 93 0 - 7.3-10.7 HB3 ARG 135 - HD3 LYS 86 far 0 76 0 - 7.7-14.5 HB3 ARG 135 - HD2 LYS 39 far 0 39 0 - 7.9-14.5 HB3 ARG 135 - HD2 LYS 86 far 0 76 0 - 8.7-13.8 HB3 LYS 24 - HD2 LYS 39 far 0 45 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 2673 from cnoeabs.peaks (1.95, 1.66, 29.87 ppm; 5.78 A): 5 out of 8 assignments used, quality = 1.00: * HB3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.0-4.0 3.5=100 HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HB3 ARG 90 + HD2 LYS 86 OK 32 100 35 91 4.5-9.3 2651/3.0=34...(31) HB3 ARG 90 + HD3 LYS 86 OK 32 100 35 91 4.9-9.2 2651/3.0=34, ~9897=21...(31) HB3 PRO 81 + HD2 LYS 39 OK 26 56 50 95 5.2-12.1 1.8/1166=20, ~1167=20...(29) HB3 PRO 81 - HD2 LYS 86 far 10 97 10 - 6.4-10.7 HB3 PRO 81 - HD3 LYS 86 far 5 97 5 - 5.8-10.6 HB ILE 37 - HD2 LYS 39 far 0 53 0 - 7.3-11.5 Violated in 0 structures by 0.00 A. Peak 2674 from cnoeabs.peaks (1.42, 1.66, 29.87 ppm; 5.82 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 8.2-19.0 QB ALA 34 - HD2 LYS 39 far 0 60 0 - 8.3-14.5 HG3 LYS 24 - HD2 LYS 39 far 0 35 0 - 8.9-32.2 QB ALA 92 - HD3 LYS 86 far 0 98 0 - 9.2-11.2 QB ALA 92 - HD2 LYS 86 far 0 98 0 - 9.3-11.5 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 2675 from cnoeabs.peaks (1.47, 1.66, 29.87 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-2.7 3.0=100 * HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-2.8 3.0=100 HG LEU 42 - HD2 LYS 39 far 0 54 0 - 7.1-10.6 HG3 LYS 24 - HD2 LYS 39 far 0 29 0 - 8.9-32.2 HG3 LYS 86 - HD2 LYS 39 far 0 60 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2676 from cnoeabs.peaks (1.66, 1.66, 29.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 * HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 45 45 - 100 Peak 2677 from cnoeabs.peaks (1.66, 1.66, 29.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 45 45 - 100 Reference assignment not found: HD3 LYS 86 - HD2 LYS 86 Peak 2678 from cnoeabs.peaks (3.07, 1.66, 29.87 ppm; 4.55 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 5 - HD2 LYS 39 far 0 60 0 - 8.3-62.7 Violated in 0 structures by 0.00 A. Peak 2679 from cnoeabs.peaks (2.96, 1.66, 29.87 ppm; 3.80 A): 3 out of 10 assignments used, quality = 1.00: HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 * HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 31 31 100 100 2.2-3.0 2.9=100 HE3 LYS 24 - HD2 LYS 39 far 0 60 0 - 8.3-35.1 HE3 LYS 36 - HD2 LYS 39 far 0 60 0 - 8.7-18.7 HD2 ARG 135 - HD3 LYS 86 far 0 81 0 - 9.0-15.8 HD2 ARG 135 - HD2 LYS 39 far 0 42 0 - 9.0-16.8 HE2 LYS 39 - HD2 LYS 86 far 0 63 0 - 9.4-18.7 HE2 LYS 24 - HD2 LYS 39 far 0 59 0 - 9.7-34.5 HE2 LYS 36 - HD2 LYS 39 far 0 60 0 - 9.7-18.2 Violated in 0 structures by 0.00 A. Peak 2681 from cnoeabs.peaks (8.34, 1.66, 29.87 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 86 + HD3 LYS 86 OK 100 100 100 100 3.4-6.0 5.6=100 H LYS 86 + HD2 LYS 86 OK 100 100 100 100 4.5-5.7 5.6=100 H GLU 44 - HD2 LYS 39 poor 17 58 30 - 7.3-9.8 H LYS 24 - HD2 LYS 39 far 0 29 0 - 9.8-33.1 Violated in 0 structures by 0.00 A. Peak 2682 from cnoeabs.peaks (3.89, 1.66, 29.87 ppm; 6.40 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.9-4.9 5.5=100 * HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.0-5.2 5.5=100 HA ALA 41 - HD2 LYS 39 far 4 40 10 - 7.2-9.6 HA3 GLY 75 - HD3 LYS 86 far 0 90 0 - 8.0-13.6 HA3 GLY 75 - HD2 LYS 86 far 0 90 0 - 8.5-13.8 Violated in 0 structures by 0.00 A. Peak 2683 from cnoeabs.peaks (1.79, 1.66, 29.87 ppm; 3.78 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.0-4.1 3.5=100 HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-4.0 3.5=100 HB2 ARG 84 - HD3 LYS 86 far 0 93 0 - 7.1-10.8 HB2 ARG 84 - HD2 LYS 86 far 0 93 0 - 7.3-10.7 HB3 ARG 135 - HD3 LYS 86 far 0 76 0 - 7.7-14.5 HB3 ARG 135 - HD2 LYS 39 far 0 39 0 - 7.9-14.5 HB3 ARG 135 - HD2 LYS 86 far 0 76 0 - 8.7-13.8 HB3 LYS 24 - HD2 LYS 39 far 0 45 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 2684 from cnoeabs.peaks (1.95, 1.66, 29.87 ppm; 5.78 A): 5 out of 8 assignments used, quality = 1.00: HB3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.0-4.0 3.5=100 * HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HB3 ARG 90 + HD2 LYS 86 OK 32 100 35 91 4.5-9.3 2651/3.0=34...(31) HB3 ARG 90 + HD3 LYS 86 OK 32 100 35 91 4.9-9.2 2651/3.0=34, ~9897=21...(31) HB3 PRO 81 + HD2 LYS 39 OK 26 56 50 95 5.2-12.1 1.8/1166=20, ~1167=20...(29) HB3 PRO 81 - HD2 LYS 86 far 10 97 10 - 6.4-10.7 HB3 PRO 81 - HD3 LYS 86 far 5 97 5 - 5.8-10.6 HB ILE 37 - HD2 LYS 39 far 0 53 0 - 7.3-11.5 Violated in 0 structures by 0.00 A. Peak 2685 from cnoeabs.peaks (1.42, 1.66, 29.87 ppm; 5.82 A): 2 out of 8 assignments used, quality = 1.00: HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 * HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 8.2-19.0 QB ALA 34 - HD2 LYS 39 far 0 60 0 - 8.3-14.5 HG3 LYS 24 - HD2 LYS 39 far 0 35 0 - 8.9-32.2 QB ALA 92 - HD3 LYS 86 far 0 98 0 - 9.2-11.2 QB ALA 92 - HD2 LYS 86 far 0 98 0 - 9.3-11.5 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 2686 from cnoeabs.peaks (1.47, 1.66, 29.87 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-2.7 3.0=100 HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-2.8 3.0=100 HG LEU 42 - HD2 LYS 39 far 0 54 0 - 7.1-10.6 HG3 LYS 24 - HD2 LYS 39 far 0 29 0 - 8.9-32.2 HG3 LYS 86 - HD2 LYS 39 far 0 60 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2687 from cnoeabs.peaks (1.66, 1.66, 29.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 45 45 - 100 Reference assignment not found: HD2 LYS 86 - HD3 LYS 86 Peak 2688 from cnoeabs.peaks (1.66, 1.66, 29.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 45 45 - 100 Peak 2689 from cnoeabs.peaks (3.07, 1.66, 29.87 ppm; 4.55 A): 2 out of 3 assignments used, quality = 1.00: HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 5 - HD2 LYS 39 far 0 60 0 - 8.3-62.7 Violated in 0 structures by 0.00 A. Peak 2690 from cnoeabs.peaks (2.96, 1.66, 29.87 ppm; 3.80 A): 3 out of 10 assignments used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 31 31 100 100 2.2-3.0 2.9=100 HE3 LYS 24 - HD2 LYS 39 far 0 60 0 - 8.3-35.1 HE3 LYS 36 - HD2 LYS 39 far 0 60 0 - 8.7-18.7 HD2 ARG 135 - HD3 LYS 86 far 0 81 0 - 9.0-15.8 HD2 ARG 135 - HD2 LYS 39 far 0 42 0 - 9.0-16.8 HE2 LYS 39 - HD2 LYS 86 far 0 63 0 - 9.4-18.7 HE2 LYS 24 - HD2 LYS 39 far 0 59 0 - 9.7-34.5 HE2 LYS 36 - HD2 LYS 39 far 0 60 0 - 9.7-18.2 Violated in 0 structures by 0.00 A. Peak 2693 from cnoeabs.peaks (3.89, 3.07, 41.80 ppm; 6.72 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.7-5.5 6.0=100 HA3 GLY 75 - HE2 LYS 86 far 0 90 0 - 8.3-13.9 HB2 SER 94 - HE2 LYS 86 far 0 92 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 2694 from cnoeabs.peaks (1.79, 3.07, 41.80 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.4-4.5 1.8/2695=84, 4.9=71...(21) HB2 ARG 84 - HE2 LYS 86 far 0 93 0 - 7.5-11.0 Violated in 3 structures by 0.01 A. Peak 2695 from cnoeabs.peaks (1.95, 3.07, 41.80 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.1-4.3 2706/1.8=97, 1.8/2694=87...(21) HB3 ARG 90 - HE2 LYS 86 far 10 100 10 - 4.9-9.2 HB3 PRO 81 - HE2 LYS 86 far 0 97 0 - 6.9-11.2 Violated in 0 structures by 0.00 A. Peak 2696 from cnoeabs.peaks (1.42, 3.07, 41.80 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.6-3.7 3.7=100 QB ALA 92 - HE2 LYS 86 far 0 98 0 - 8.8-11.9 QB ALA 34 - HE2 LYS 86 far 0 100 0 - 9.4-19.1 Violated in 0 structures by 0.00 A. Peak 2697 from cnoeabs.peaks (1.47, 3.07, 41.80 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.5-4.1 3.7=100 Violated in 5 structures by 0.02 A. Peak 2698 from cnoeabs.peaks (1.66, 3.07, 41.80 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 - HE2 LYS 86 far 0 78 0 - 7.0-12.2 HG3 ARG 84 - HE2 LYS 86 far 0 78 0 - 7.9-12.2 QB ALA 88 - HE2 LYS 86 far 0 100 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 2699 from cnoeabs.peaks (1.66, 3.07, 41.80 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 - HE2 LYS 86 far 0 78 0 - 7.0-12.2 HG3 ARG 84 - HE2 LYS 86 far 0 78 0 - 7.9-12.2 QB ALA 88 - HE2 LYS 86 far 0 100 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 2700 from cnoeabs.peaks (3.07, 3.07, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 Peak 2701 from cnoeabs.peaks (2.96, 3.07, 41.80 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2703 from cnoeabs.peaks (8.34, 2.96, 41.80 ppm; 4.73 A): 7 out of 71 assignments used, quality = 1.00: * H LYS 86 + HE3 LYS 86 OK 100 100 100 100 4.2-5.4 2.9/2704=83...(18) H LYS 19 + HE2 LYS 19 OK 97 98 100 99 2.9-6.0 6149/5.1=58, 6151/3.8=57...(49) H LYS 19 + HE3 LYS 19 OK 95 96 100 99 3.3-6.2 6149/5.1=58, 6151/3.8=57...(49) H LYS 24 + HE2 LYS 24 OK 51 58 90 97 3.4-7.0 6222/4.0=34, 6223/4.0=32...(19) H LYS 26 + HE2 LYS 26 OK 47 51 95 98 1.8-6.8 6252/3.6=32, 7.1=30...(51) H LYS 24 + HE3 LYS 24 OK 43 60 75 97 3.3-6.7 6222/4.0=34, 6223/4.0=32...(18) H LYS 26 + HE3 LYS 26 OK 42 51 85 98 2.5-6.9 6252/3.6=32, 7.1=30...(51) H LYS 19 - HE3 LYS 24 poor 20 98 20 - 4.9-18.0 H LYS 24 - HE2 LYS 26 poor 19 53 35 - 4.4-12.5 H TYR 72 - HE3 LYS 36 poor 17 86 20 - 3.8-14.0 H LYS 19 - HE2 LYS 24 far 15 97 15 - 4.7-17.7 H LYS 26 - HE2 LYS 24 poor 14 56 25 - 4.8-10.6 H ALA 28 - HE3 LYS 26 far 13 87 15 - 3.1-9.5 H ALA 28 - HE2 LYS 26 far 13 87 15 - 4.5-9.2 H GLY 17 - HE2 LYS 19 far 12 83 15 - 2.8-9.7 H LYS 24 - HE3 LYS 26 poor 11 53 20 - 3.9-11.9 H GLU 44 - HE3 LYS 36 far 10 99 10 - 4.3-14.9 H GLU 44 - HE2 LYS 36 far 10 99 10 - 6.1-14.1 H TYR 72 - HE2 LYS 36 poor 10 86 35 32 2.8-13.8 9023/10705=17...(5) H LYS 19 - HE2 LYS 31 far 10 96 10 - 5.7-24.2 H ALA 28 - HE3 LYS 24 far 9 94 10 - 5.7-14.7 H ALA 28 - HE2 LYS 31 far 9 92 10 - 5.4-10.8 H LYS 26 - HE3 LYS 24 far 9 57 15 - 4.7-11.1 H GLY 17 - HE3 LYS 24 far 8 82 10 - 4.2-20.5 H GLY 17 - HE2 LYS 24 far 8 81 10 - 4.4-20.5 H GLY 17 - HE3 LYS 19 far 8 80 10 - 3.6-10.6 H LYS 26 - HE2 LYS 31 far 5 55 10 - 4.2-14.3 H LYS 26 - HE3 LYS 31 far 5 51 10 - 3.3-13.9 H GLU 44 - HE2 LYS 31 far 5 97 5 - 5.5-21.9 H ALA 28 - HE2 LYS 24 far 5 93 5 - 5.8-14.6 H LYS 19 - HE3 LYS 31 far 5 92 5 - 4.7-24.9 H ALA 28 - HE3 LYS 31 far 4 87 5 - 6.2-10.3 H GLY 17 - HE3 LYS 36 far 4 82 5 - 4.4-32.0 H GLY 17 - HE2 LYS 36 far 4 82 5 - 5.9-31.3 H GLY 17 - HE2 LYS 31 far 4 80 5 - 6.2-25.4 H GLY 17 - HE3 LYS 31 far 4 75 5 - 4.8-26.2 H GLY 14 - HE2 LYS 24 far 3 66 5 - 5.7-25.4 H LYS 24 - HE2 LYS 19 far 3 60 5 - 5.7-15.3 H LYS 24 - HE2 LYS 36 far 3 60 5 - 5.5-25.9 H LYS 24 - HE3 LYS 19 far 3 57 5 - 6.2-16.3 H GLY 14 - HE2 LYS 19 lone 0 68 35 2 2.9-17.1 H GLY 14 - HE3 LYS 19 lone 0 65 35 2 3.5-16.6 H LYS 19 - HE3 LYS 36 far 0 98 0 - 6.3-31.6 H ALA 28 - HE3 LYS 36 far 0 94 0 - 6.4-19.1 H GLY 14 - HE3 LYS 24 far 0 68 0 - 6.4-25.6 H LYS 26 - HE3 LYS 36 far 0 57 0 - 6.6-23.8 H LYS 26 - HE2 LYS 36 far 0 57 0 - 6.7-23.3 H LYS 26 - HE3 LYS 19 far 0 55 0 - 6.9-22.8 H LYS 24 - HE2 LYS 31 far 0 57 0 - 7.1-17.6 H GLU 44 - HE3 LYS 26 far 0 93 0 - 7.1-30.5 H LYS 26 - HE2 LYS 19 far 0 57 0 - 7.1-21.3 H LYS 24 - HE3 LYS 36 far 0 60 0 - 7.2-26.7 H ALA 28 - HE2 LYS 36 far 0 94 0 - 7.2-18.5 H GLU 44 - HE3 LYS 31 far 0 93 0 - 7.3-23.4 H LYS 24 - HE3 LYS 31 far 0 53 0 - 7.6-17.8 H TYR 72 - HE2 LYS 31 far 0 84 0 - 7.7-18.1 H GLU 44 - HE2 LYS 26 far 0 93 0 - 8.0-30.3 H LYS 19 - HE2 LYS 36 far 0 98 0 - 8.0-31.1 H GLY 14 - HE2 LYS 31 far 0 65 0 - 8.1-26.2 H TYR 72 - HE3 LYS 26 far 0 79 0 - 8.2-23.3 H TYR 72 - HE3 LYS 31 far 0 79 0 - 8.4-17.9 H GLY 17 - HE3 LYS 26 far 0 75 0 - 8.5-24.0 H ALA 28 - HE3 LYS 19 far 0 92 0 - 8.6-24.2 H ALA 28 - HE2 LYS 19 far 0 94 0 - 8.7-25.2 H GLY 14 - HE3 LYS 31 far 0 61 0 - 8.7-25.3 H GLU 44 - HE3 LYS 24 far 0 99 0 - 8.8-28.9 H LYS 19 - HE2 LYS 26 far 0 92 0 - 8.9-23.4 H GLU 44 - HE2 LYS 24 far 0 98 0 - 9.2-29.2 H LYS 19 - HE3 LYS 26 far 0 92 0 - 9.3-23.2 H GLY 17 - HE2 LYS 26 far 0 75 0 - 9.4-24.6 H TYR 72 - HE2 LYS 26 far 0 79 0 - 9.6-23.8 Violated in 0 structures by 0.00 A. Peak 2704 from cnoeabs.peaks (3.89, 2.96, 41.80 ppm; 6.80 A): 3 out of 63 assignments used, quality = 1.00: * HA LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.5-5.0 6.0=100 HB2 SER 33 + HE2 LYS 36 OK 66 73 95 96 3.0-8.8 ~10775=43, ~10854=35...(14) HB2 SER 33 + HE3 LYS 36 OK 59 73 85 96 4.7-9.1 ~10775=43, ~10854=35...(14) HA ALA 41 - HE2 LYS 36 poor 19 78 25 - 3.3-12.6 HA ALA 41 - HE2 LYS 26 poor 18 71 25 - 5.3-30.5 HA ALA 46 - HE3 LYS 36 far 15 98 15 - 6.8-15.7 HB2 SER 33 - HE2 LYS 26 poor 13 66 60 34 3.0-22.8 ~10860=7, ~10783=6...(11) HB2 SER 33 - HE3 LYS 26 poor 12 66 55 33 2.4-22.2 ~10860=7, ~10783=6...(11) HA ALA 41 - HE2 LYS 24 far 11 76 15 - 6.8-28.7 HA ALA 41 - HE3 LYS 36 poor 11 78 30 48 4.1-13.4 10865/6.0=43, 10866/9548=6 HA ALA 46 - HE2 LYS 36 far 10 98 10 - 7.3-14.1 HB2 SER 33 - HE2 LYS 31 lone 8 70 80 15 4.4-10.6 ~10783=3, ~10860=2...(5) HB2 SER 60 - HE2 LYS 24 far 8 79 10 - 7.1-30.7 HB3 SER 60 - HE2 LYS 24 far 8 79 10 - 7.7-29.8 HA ALA 41 - HE3 LYS 24 far 8 78 10 - 5.9-27.3 HB2 SER 60 - HE3 LYS 19 far 8 78 10 - 4.3-36.6 HB2 SER 60 - HE3 LYS 31 far 7 73 10 - 5.9-26.8 HB3 SER 60 - HE2 LYS 26 far 7 73 10 - 6.5-25.9 HB3 SER 60 - HE3 LYS 26 far 7 73 10 - 7.3-25.8 HA LEU 70 - HE2 LYS 36 far 5 99 5 - 6.8-15.3 HA LEU 70 - HE3 LYS 36 far 5 99 5 - 7.2-15.6 HB2 SER 33 - HE3 LYS 31 lone 5 66 55 14 4.5-10.4 ~10783=3, ~10860=2...(5) HA2 GLY 2 - HE2 LYS 31 far 5 98 5 - 7.6-53.5 HA3 GLY 2 - HE2 LYS 31 far 5 98 5 - 8.0-54.2 HB3 SER 50 - HE2 LYS 26 far 5 96 5 - 5.1-28.0 HB3 SER 50 - HE3 LYS 26 far 5 96 5 - 6.5-28.6 HA2 GLY 2 - HE3 LYS 31 far 5 94 5 - 6.7-54.0 HA3 GLY 2 - HE3 LYS 31 far 5 94 5 - 7.4-54.3 HA2 GLY 2 - HE2 LYS 26 far 5 94 5 - 7.9-59.0 HA3 GLY 75 - HE2 LYS 31 far 4 87 5 - 6.9-24.4 HB3 SER 60 - HE2 LYS 19 far 4 80 5 - 5.6-36.4 HB2 SER 60 - HE2 LYS 19 far 4 80 5 - 6.0-37.9 HB3 SER 60 - HE3 LYS 19 far 4 78 5 - 4.3-36.3 HB2 SER 60 - HE2 LYS 31 far 4 78 5 - 6.3-26.4 HB3 SER 60 - HE2 LYS 31 far 4 78 5 - 7.9-26.4 HA ALA 41 - HE2 LYS 31 far 4 75 5 - 3.5-21.3 HB2 SER 60 - HE2 LYS 26 far 4 73 5 - 5.9-26.8 HB2 SER 60 - HE3 LYS 26 far 4 73 5 - 6.9-26.8 HB3 SER 60 - HE3 LYS 31 far 4 73 5 - 7.4-26.9 HB2 SER 33 - HE2 LYS 24 far 4 71 5 - 8.3-24.6 HA ALA 41 - HE3 LYS 31 far 4 71 5 - 4.9-22.8 HD2 PRO 117 - HE3 LYS 24 far 3 62 5 - 7.0-40.0 HD2 PRO 117 - HE2 LYS 24 far 3 61 5 - 7.6-38.7 HA ALA 41 - HE3 LYS 26 lone 1 71 30 4 5.2-30.5 HB2 SER 33 - HE3 LYS 24 far 0 73 0 - 8.3-24.8 HA3 GLY 75 - HE3 LYS 31 far 0 83 0 - 8.4-24.0 HB3 SER 50 - HE3 LYS 19 far 0 99 0 - 8.4-42.4 HA ALA 46 - HE3 LYS 26 far 0 93 0 - 8.4-25.0 HA2 GLY 2 - HE2 LYS 36 far 0 99 0 - 8.6-57.5 HA2 GLY 2 - HE3 LYS 26 far 0 94 0 - 8.7-59.2 HB2 SER 60 - HE3 LYS 24 far 0 80 0 - 8.7-31.9 HA2 GLY 2 - HE3 LYS 36 far 0 99 0 - 8.7-56.5 HA3 GLY 75 - HE2 LYS 36 far 0 90 0 - 8.8-20.7 HB3 SER 60 - HE3 LYS 24 far 0 80 0 - 8.8-30.5 HA ALA 46 - HE2 LYS 26 far 0 93 0 - 9.0-24.6 HA3 GLY 2 - HE3 LYS 24 far 0 99 0 - 9.1-51.1 HA ALA 46 - HE3 LYS 24 far 0 98 0 - 9.2-26.0 HA3 GLY 75 - HE3 LYS 86 far 0 90 0 - 9.3-12.3 HB2 SER 94 - HE3 LYS 24 far 0 91 0 - 9.3-36.5 HA3 GLY 2 - HE2 LYS 26 far 0 94 0 - 9.4-59.1 HB2 SER 94 - HE2 LYS 24 far 0 90 0 - 9.5-35.3 HA ALA 46 - HE2 LYS 24 far 0 97 0 - 9.6-26.8 HB2 SER 94 - HE3 LYS 86 far 0 92 0 - 9.9-15.0 Violated in 0 structures by 0.00 A. Peak 2705 from cnoeabs.peaks (1.79, 2.96, 41.80 ppm; 4.67 A): 19 out of 84 assignments used, quality = 1.00: * HB2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.0-3.5 1.8/2706=99, 2694/1.8=93...(19) HB3 LYS 19 + HE2 LYS 19 OK 87 89 100 98 2.1-4.9 5.1=78, 6150/7.3=13...(52) HB3 LYS 31 + HE2 LYS 31 OK 85 86 100 99 2.0-5.2 4.8=90, 6332/7.1=23...(53) HB3 LYS 19 + HE3 LYS 19 OK 84 86 100 98 2.3-4.8 5.1=78, 6150/7.3=13...(52) HB3 LYS 24 + HE3 LYS 24 OK 84 84 100 99 2.8-5.3 5.1=78, 482/6.4=32...(27) HB3 LYS 24 + HE2 LYS 24 OK 82 83 100 99 2.0-5.1 5.1=78, 482/6.4=32...(28) HB3 LYS 31 + HE3 LYS 31 OK 80 81 100 99 2.0-5.0 4.8=90, 6332/7.1=23...(53) HB2 LYS 36 + HE2 LYS 36 OK 78 78 100 100 3.3-4.7 4.9=85, 1.8/1064=38...(68) HB2 LYS 36 + HE3 LYS 36 OK 78 78 100 100 2.0-4.5 4.9=85, 1.8/1064=38...(67) HB3 LYS 26 + HE3 LYS 26 OK 65 66 100 99 2.0-5.4 4.8=93, 6251/7.1=21...(53) HB3 LYS 26 + HE2 LYS 26 OK 65 66 100 99 3.3-5.0 4.8=93, 6251/7.1=21...(53) HB ILE 32 + HE3 LYS 36 OK 55 75 75 97 2.0-7.9 2.1/10721=26, ~10837=19...(53) HB ILE 32 + HE2 LYS 36 OK 48 75 65 98 3.4-7.6 2.1/10721=23, ~10837=19...(55) HB ILE 32 + HE2 LYS 31 OK 33 73 55 82 4.3-9.5 3.2/10804=10...(53) HB ILE 32 + HE3 LYS 26 OK 26 68 45 85 4.6-19.4 2.1/10721=13, ~10840=10...(43) HB3 LYS 31 + HE3 LYS 26 OK 25 81 35 89 3.3-19.0 2629/3.6=6, 273/3.6=4...(101) HB3 LYS 31 + HE2 LYS 26 OK 22 81 30 90 2.2-19.2 2629/3.6=6, 2634=5...(104) HB3 LYS 19 + HE3 LYS 24 OK 22 88 30 82 3.9-16.9 2634=4, 2634/1.8=4...(86) HB3 LYS 19 + HE2 LYS 24 OK 22 87 30 83 2.6-16.3 2634=4, 2634/1.8=3...(99) HB ILE 32 - HE3 LYS 31 poor 20 68 35 83 4.6-10.3 3.2/9008=8, 2.1/10840=8...(55) HB2 LYS 36 - HE3 LYS 26 poor 18 71 40 65 2.6-28.9 1.8/1003=9, ~1004=7...(22) HB ILE 32 - HE2 LYS 26 poor 18 68 30 85 4.8-19.8 2.1/10766=13, ~10721=10...(43) HB2 LYS 36 - HE2 LYS 26 poor 17 71 35 70 2.4-29.4 1.8/1004=7, ~1004=7...(26) HB3 LYS 26 - HE3 LYS 31 poor 16 66 25 - 4.4-13.0 HB3 LYS 24 - HE3 LYS 19 poor 16 82 20 - 4.6-17.1 HB3 ARG 23 - HE2 LYS 26 poor 14 56 50 49 3.0-13.9 3.0/11618=8, ~11618=4...(14) HB3 LYS 24 - HE2 LYS 19 far 13 85 15 - 3.5-17.2 HB3 ARG 23 - HE3 LYS 26 poor 12 56 45 49 2.6-15.2 ~11618=6, 3.0/11618=6...(14) HB3 LYS 24 - HE2 LYS 26 far 12 77 15 - 5.5-13.1 HB3 LYS 26 - HE3 LYS 36 far 11 73 15 - 5.3-23.0 HB3 LYS 24 - HE3 LYS 26 far 8 77 10 - 4.8-12.9 HB3 LYS 26 - HE2 LYS 36 far 7 73 10 - 4.2-22.7 HB3 LYS 26 - HE2 LYS 31 far 7 70 10 - 3.9-12.8 HB3 ARG 23 - HE2 LYS 36 far 6 62 10 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 36 far 6 62 10 - 4.4-24.0 HB3 ARG 23 - HE3 LYS 31 far 6 56 10 - 5.4-20.0 HB2 LEU 48 - HE3 LYS 24 far 5 93 5 - 4.9-28.4 HB2 LEU 48 - HE3 LYS 36 far 5 93 5 - 4.9-16.7 HB2 LEU 48 - HE2 LYS 24 far 5 92 5 - 5.9-30.0 HB3 LYS 31 - HE2 LYS 19 far 4 89 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 36 far 4 88 5 - 4.9-14.1 HB3 LYS 31 - HE2 LYS 36 far 4 88 5 - 5.3-14.3 HB3 LYS 31 - HE2 LYS 24 far 4 87 5 - 6.0-19.3 HB2 LEU 48 - HE2 LYS 26 far 4 86 5 - 4.7-30.3 HB2 LEU 48 - HE3 LYS 26 far 4 86 5 - 5.2-30.6 HB3 LYS 24 - HE2 LYS 36 far 4 84 5 - 3.5-25.9 HB3 LYS 24 - HE3 LYS 36 far 4 84 5 - 5.2-26.7 HB3 LYS 19 - HE2 LYS 26 far 4 81 5 - 6.1-23.7 HB2 LYS 36 - HE2 LYS 24 far 4 76 5 - 6.1-29.9 HB3 LYS 26 - HE3 LYS 24 far 4 73 5 - 6.0-13.6 HB3 LYS 26 - HE2 LYS 24 far 4 71 5 - 5.2-13.2 HB2 LYS 36 - HE3 LYS 31 far 4 71 5 - 5.6-14.2 HB3 LYS 31 - HE3 LYS 19 far 0 86 0 - 6.2-27.1 HB2 LYS 36 - HE2 LYS 31 far 0 75 0 - 6.2-12.8 HB3 ARG 23 - HE2 LYS 31 far 0 60 0 - 6.3-18.9 HB3 LYS 19 - HE2 LYS 31 far 0 86 0 - 6.5-26.1 HB2 LEU 48 - HE2 LYS 36 far 0 93 0 - 6.5-15.4 HB3 LEU 98 - HE3 LYS 24 far 0 97 0 - 6.5-36.2 HB3 LEU 98 - HE2 LYS 24 far 0 96 0 - 6.6-34.7 HB2 LEU 48 - HE3 LYS 31 far 0 86 0 - 6.7-25.2 HB3 LYS 31 - HE3 LYS 24 far 0 88 0 - 6.7-20.0 HB3 ARG 23 - HE3 LYS 24 far 0 62 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 61 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 74 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 81 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 78 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 77 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 81 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 82 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 70 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 93 0 - 8.0-9.9 HB3 ARG 23 - HE3 LYS 19 far 0 60 0 - 8.2-16.9 HB2 LEU 48 - HE2 LYS 31 far 0 91 0 - 8.3-23.9 HB ILE 32 - HE3 LYS 24 far 0 75 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 95 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 73 0 - 8.7-23.7 HB2 LEU 48 - HE3 LYS 19 far 0 91 0 - 8.9-37.7 HB3 LEU 122 - HE3 LYS 24 far 0 100 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 63 0 - 9.5-15.7 HG LEU 100 - HE3 LYS 31 far 0 79 0 - 9.8-22.1 HB3 ARG 135 - HE3 LYS 86 far 0 76 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 88 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 95 0 - 9.8-24.8 HB2 LEU 48 - HE2 LYS 19 far 0 93 0 - 9.9-36.4 Violated in 0 structures by 0.00 A. Peak 2706 from cnoeabs.peaks (1.95, 2.96, 41.80 ppm; 4.12 A): 1 out of 40 assignments used, quality = 1.00: * HB3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 1.8-4.0 2695/1.8=78, 3.0/2704=66...(19) HB3 ARG 90 - HE3 LYS 86 far 10 100 10 - 4.4-9.0 HB2 GLU 30 - HE2 LYS 31 far 10 99 10 - 4.1-9.8 HB2 GLN 27 - HE3 LYS 26 far 9 91 10 - 3.3-9.7 HB2 GLU 30 - HE2 LYS 19 far 5 100 5 - 4.9-27.5 HB2 GLU 30 - HE2 LYS 24 far 5 99 5 - 5.1-17.6 HB2 GLU 30 - HE3 LYS 19 far 5 99 5 - 4.0-27.0 HB2 GLN 27 - HE3 LYS 24 far 5 97 5 - 4.0-16.4 HB2 GLN 27 - HE3 LYS 36 far 5 97 5 - 5.3-19.1 HB2 GLN 27 - HE2 LYS 24 far 5 96 5 - 5.3-15.5 HB2 GLU 30 - HE3 LYS 31 far 5 96 5 - 5.5-9.8 HB ILE 37 - HE2 LYS 36 far 5 94 5 - 4.3-9.3 HB2 GLN 27 - HE2 LYS 26 far 5 91 5 - 4.7-9.6 HB2 GLN 27 - HE2 LYS 31 far 0 95 0 - 5.8-12.2 HB2 PRO 58 - HE3 LYS 19 far 0 98 0 - 5.8-38.7 HB ILE 37 - HE3 LYS 36 far 0 94 0 - 6.0-9.5 HB3 LYS 95 - HE3 LYS 24 far 0 91 0 - 6.0-34.3 HB2 GLU 30 - HE3 LYS 26 far 0 96 0 - 6.5-15.3 HB2 GLN 27 - HE3 LYS 31 far 0 91 0 - 6.5-12.3 HB2 GLN 27 - HE2 LYS 36 far 0 97 0 - 6.7-18.4 HB2 GLU 30 - HE3 LYS 24 far 0 100 0 - 6.8-18.6 HB2 LYS 95 - HE3 LYS 24 far 0 86 0 - 6.8-34.1 HB2 GLU 30 - HE2 LYS 26 far 0 96 0 - 7.0-15.3 HB2 PRO 58 - HE2 LYS 19 far 0 99 0 - 7.0-38.8 HB3 PRO 81 - HE3 LYS 86 far 0 97 0 - 7.0-11.2 HB3 LYS 95 - HE2 LYS 24 far 0 90 0 - 7.4-32.8 HB2 GLU 30 - HE3 LYS 36 far 0 100 0 - 7.5-14.8 HB2 PRO 58 - HE3 LYS 26 far 0 94 0 - 7.6-27.3 HB ILE 37 - HE2 LYS 26 far 0 87 0 - 7.6-26.7 HB2 LYS 95 - HE2 LYS 24 far 0 85 0 - 8.0-32.6 HB2 GLN 27 - HE2 LYS 19 far 0 97 0 - 8.2-25.8 HB ILE 37 - HE3 LYS 26 far 0 87 0 - 8.4-26.6 HB2 GLN 27 - HE3 LYS 19 far 0 95 0 - 8.5-24.9 HB2 PRO 58 - HE2 LYS 26 far 0 94 0 - 8.5-27.1 HB ILE 37 - HE2 LYS 24 far 0 93 0 - 8.7-28.3 HG LEU 53 - HE2 LYS 26 far 0 77 0 - 9.0-26.0 HB2 GLU 30 - HE2 LYS 36 far 0 100 0 - 9.1-14.4 HB ILE 37 - HE2 LYS 31 far 0 92 0 - 9.1-17.8 HB ILE 37 - HE3 LYS 24 far 0 94 0 - 9.6-28.8 HB ILE 37 - HE3 LYS 31 far 0 87 0 - 9.6-18.7 Violated in 0 structures by 0.00 A. Peak 2707 from cnoeabs.peaks (1.42, 2.96, 41.80 ppm; 3.87 A): 14 out of 68 assignments used, quality = 1.00: * HG2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.0-2.9 3.7=100 HG2 LYS 26 + HE2 LYS 26 OK 89 89 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 89 89 100 100 2.0-4.0 3.6=100 HG2 LYS 31 + HE2 LYS 31 OK 78 78 100 100 2.3-4.1 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 76 76 100 100 2.3-4.0 3.8=100 HG2 LYS 31 + HE3 LYS 31 OK 73 73 100 100 2.1-4.2 3.7=100 HG3 LYS 19 + HE3 LYS 19 OK 73 73 100 100 2.3-3.8 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 68 70 100 97 2.2-4.2 4.0=92, 484/6.4=16...(17) HG3 LYS 24 + HE2 LYS 24 OK 67 69 100 97 2.0-3.9 4.0=92, 484/6.4=16...(17) HG13 ILE 32 + HE2 LYS 36 OK 31 86 40 90 2.8-9.0 3.2/10721=14...(58) HG13 ILE 32 + HE3 LYS 36 OK 31 86 40 90 3.2-9.5 3.2/10721=16...(60) HG13 ILE 32 + HE2 LYS 31 OK 25 84 45 66 2.3-9.1 2.1/10804=10...(24) HG13 ILE 32 + HE3 LYS 26 OK 22 79 40 70 2.0-17.3 3.2/10766=8, 2.1/10804=7...(25) HG13 ILE 32 + HE3 LYS 31 OK 21 79 40 68 2.0-9.6 2.1/10804=7, 10757/6.5=7...(24) HG13 ILE 32 - HE2 LYS 26 poor 20 79 35 70 2.1-17.7 3.2/10766=8, 2.1/9008=8...(25) HG3 LYS 24 - HE3 LYS 19 poor 17 68 25 - 4.5-18.1 HG3 LYS 19 - HE2 LYS 24 poor 15 74 20 - 3.4-18.5 HG3 LYS 19 - HE3 LYS 24 far 11 75 15 - 4.8-19.1 HG3 LYS 24 - HE2 LYS 19 far 11 71 15 - 3.7-17.8 QB ALA 34 - HE2 LYS 36 far 10 100 10 - 5.1-8.4 HG2 LYS 26 - HE3 LYS 36 far 10 95 10 - 3.8-24.9 HG2 LYS 26 - HE2 LYS 36 far 10 95 10 - 4.1-24.5 QB ALA 16 - HE2 LYS 19 far 9 90 10 - 4.4-10.6 QB ALA 16 - HE3 LYS 19 far 9 87 10 - 3.5-9.7 HG2 LYS 31 - HE2 LYS 26 far 7 73 10 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 far 7 73 10 - 5.3-19.4 QB ALA 34 - HE3 LYS 36 far 5 100 5 - 5.3-9.2 HG2 LYS 26 - HE2 LYS 31 far 5 93 5 - 5.4-15.0 QB ALA 16 - HE3 LYS 24 far 4 90 5 - 4.4-18.8 QB ALA 16 - HE2 LYS 24 far 4 89 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 4 83 5 - 5.0-24.1 HG2 LYS 31 - HE3 LYS 24 far 4 80 5 - 4.0-19.0 HG2 LYS 31 - HE2 LYS 36 far 4 80 5 - 4.9-14.4 HG2 LYS 31 - HE2 LYS 24 far 4 79 5 - 3.3-18.4 HG3 LYS 24 - HE2 LYS 36 far 4 70 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 4 70 5 - 4.8-25.5 HG2 LYS 31 - HE3 LYS 36 far 0 80 0 - 5.4-14.2 QB ALA 16 - HE3 LYS 36 far 0 90 0 - 5.5-25.6 QB ALA 34 - HE2 LYS 26 far 0 95 0 - 5.7-20.7 QB ALA 16 - HE2 LYS 31 far 0 87 0 - 5.8-23.5 HG2 LYS 26 - HE2 LYS 24 far 0 94 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 95 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 89 0 - 6.0-14.4 QB ALA 34 - HE3 LYS 24 far 0 100 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 95 0 - 6.1-21.1 HG3 LYS 24 - HE3 LYS 26 far 0 63 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 99 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 63 0 - 6.7-12.9 QB ALA 16 - HE2 LYS 36 far 0 90 0 - 6.8-25.2 QB ALA 34 - HE2 LYS 31 far 0 99 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 68 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 95 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 78 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 73 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 85 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 80 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 68 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 63 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 84 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 68 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 87 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 98 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 86 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 68 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 75 0 - 9.6-33.4 QB ALA 16 - HE3 LYS 26 far 0 83 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 83 0 - 9.9-22.6 QB ALA 92 - HE3 LYS 24 far 0 98 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 2708 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 4.09 A): 5 out of 39 assignments used, quality = 1.00: * HG3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.3-3.7 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 98 98 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 98 98 100 100 2.2-3.5 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 60 60 100 100 2.2-4.2 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 58 58 100 100 2.0-3.9 4.0=100 HG3 LYS 24 - HE3 LYS 19 poor 14 57 25 - 4.5-18.1 HG3 LYS 36 - HE3 LYS 26 poor 13 93 25 58 4.4-26.9 3.0/1003=6...(14) HG LEU 42 - HE3 LYS 36 far 10 95 10 - 4.4-13.5 HG LEU 42 - HE2 LYS 36 far 10 95 10 - 4.8-12.8 HG3 LYS 36 - HE2 LYS 26 far 9 93 10 - 4.5-27.4 HG3 LYS 24 - HE2 LYS 19 far 9 60 15 - 3.7-17.8 HG3 LYS 36 - HE2 LYS 24 far 5 97 5 - 4.6-28.4 HG3 LYS 36 - HE2 LYS 31 far 5 97 5 - 4.4-14.3 HG3 LYS 36 - HE3 LYS 31 far 5 93 5 - 3.7-15.5 HG3 LYS 24 - HE2 LYS 36 far 3 60 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 3 60 5 - 4.8-25.5 HG3 LYS 36 - HE3 LYS 24 far 0 98 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 53 0 - 6.5-13.4 HG3 LYS 24 - HE2 LYS 26 far 0 53 0 - 6.7-12.9 QB ALA 52 - HE3 LYS 19 far 0 98 0 - 6.9-30.9 QB ALA 52 - HE3 LYS 24 far 0 99 0 - 7.0-24.3 QB ALA 52 - HE2 LYS 24 far 0 99 0 - 7.1-25.0 HB2 LEU 49 - HE3 LYS 36 far 0 75 0 - 7.2-16.7 QB ALA 52 - HE2 LYS 26 far 0 95 0 - 7.4-24.3 HB2 LEU 49 - HE3 LYS 24 far 0 75 0 - 7.5-25.3 HB2 LEU 49 - HE2 LYS 26 far 0 68 0 - 7.5-24.9 HB2 LEU 49 - HE3 LYS 26 far 0 68 0 - 7.6-25.3 HB2 LEU 49 - HE2 LYS 36 far 0 75 0 - 7.8-15.5 QB ALA 52 - HE2 LYS 19 far 0 100 0 - 8.1-30.6 HG3 LYS 24 - HE3 LYS 31 far 0 53 0 - 8.2-17.8 QB ALA 52 - HE3 LYS 26 far 0 95 0 - 8.2-24.6 HB2 LEU 49 - HE2 LYS 24 far 0 74 0 - 8.4-26.2 QB ALA 52 - HE3 LYS 36 far 0 99 0 - 8.5-17.5 HG3 LYS 24 - HE2 LYS 31 far 0 57 0 - 8.5-17.7 HB2 LEU 49 - HE3 LYS 31 far 0 68 0 - 8.8-24.0 QB ALA 52 - HE2 LYS 36 far 0 99 0 - 9.0-16.4 HG LEU 42 - HE2 LYS 26 far 0 89 0 - 9.1-27.6 QB ALA 52 - HE3 LYS 31 far 0 95 0 - 9.4-24.2 HG3 LYS 36 - HE2 LYS 19 far 0 99 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 2709 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 3.47 A): 22 out of 119 assignments used, quality = 1.00: HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 * HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.4-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD3 LYS 19 - HE2 LYS 24 poor 19 96 20 - 2.7-18.2 HD2 LYS 36 - HE3 LYS 26 poor 18 90 20 - 2.5-24.7 HD3 LYS 26 - HE2 LYS 36 far 15 100 15 - 2.9-24.6 HD2 LYS 26 - HE3 LYS 36 far 15 100 15 - 3.3-25.8 HD3 LYS 19 - HE3 LYS 24 far 15 97 15 - 2.2-19.0 HD2 LYS 19 - HE2 LYS 24 far 14 96 15 - 2.6-17.0 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD3 LYS 24 - HE2 LYS 19 far 10 100 10 - 4.2-18.5 HD2 LYS 24 - HE3 LYS 19 far 10 99 10 - 3.9-18.3 HD2 LYS 19 - HE3 LYS 24 far 10 97 10 - 2.9-18.4 HD2 LYS 36 - HE2 LYS 31 far 9 94 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 9 94 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 26 far 9 90 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 9 90 10 - 3.6-25.8 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 5 99 5 - 4.7-18.8 HD2 LYS 26 - HE2 LYS 31 far 5 99 5 - 3.3-15.6 HD3 LYS 24 - HE3 LYS 19 far 5 99 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 99 5 - 4.2-14.6 HD3 LYS 31 - HE3 LYS 26 far 5 96 5 - 3.6-17.7 HD3 LYS 26 - HE3 LYS 31 far 5 96 5 - 4.6-14.9 HD3 LYS 31 - HE2 LYS 26 far 5 96 5 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 5 96 5 - 4.9-15.3 HD2 LYS 36 - HE3 LYS 31 far 4 90 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 4 90 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 4 90 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 100 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 100 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 100 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 100 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 99 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 98 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 99 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 99 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 95 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 99 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 78 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 96 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 78 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 84 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 91 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 96 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 84 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 93 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 91 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 91 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 95 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 94 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 87 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 91 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 83 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 84 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 93 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 91 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 83 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 2710 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 3.47 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.4-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD3 LYS 19 - HE2 LYS 24 poor 19 96 20 - 2.7-18.2 HD2 LYS 36 - HE3 LYS 26 poor 18 90 20 - 2.5-24.7 HD3 LYS 26 - HE2 LYS 36 far 15 100 15 - 2.9-24.6 HD2 LYS 26 - HE3 LYS 36 far 15 100 15 - 3.3-25.8 HD3 LYS 19 - HE3 LYS 24 far 15 97 15 - 2.2-19.0 HD2 LYS 19 - HE2 LYS 24 far 14 96 15 - 2.6-17.0 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD3 LYS 24 - HE2 LYS 19 far 10 100 10 - 4.2-18.5 HD2 LYS 24 - HE3 LYS 19 far 10 99 10 - 3.9-18.3 HD2 LYS 19 - HE3 LYS 24 far 10 97 10 - 2.9-18.4 HD2 LYS 36 - HE2 LYS 31 far 9 94 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 9 94 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 26 far 9 90 10 - 3.3-25.2 HD3 LYS 36 - HE3 LYS 26 far 9 90 10 - 3.6-25.8 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD2 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 24 far 5 99 5 - 4.7-18.8 HD2 LYS 26 - HE2 LYS 31 far 5 99 5 - 3.3-15.6 HD3 LYS 24 - HE3 LYS 19 far 5 99 5 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 99 5 - 4.2-14.6 HD3 LYS 31 - HE3 LYS 26 far 5 96 5 - 3.6-17.7 HD3 LYS 26 - HE3 LYS 31 far 5 96 5 - 4.6-14.9 HD3 LYS 31 - HE2 LYS 26 far 5 96 5 - 4.6-18.1 HD2 LYS 26 - HE3 LYS 31 far 5 96 5 - 4.9-15.3 HD2 LYS 36 - HE3 LYS 31 far 4 90 5 - 3.6-14.4 HD3 LYS 36 - HE2 LYS 26 far 4 90 5 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 31 far 4 90 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 0 100 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 95 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 100 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 100 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 100 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 100 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 96 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 95 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 99 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 98 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 95 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 95 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 99 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 99 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 95 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 95 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 100 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 99 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 95 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 78 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 96 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 78 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 84 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 91 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 96 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 84 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 93 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 91 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 91 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 95 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 94 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 87 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 91 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 83 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 84 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 93 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 91 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 83 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 2711 from cnoeabs.peaks (3.07, 2.96, 41.80 ppm; 3.48 A): 1 out of 5 assignments used, quality = 1.00: * HE2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 5 - HE2 LYS 31 far 5 99 5 - 4.6-47.9 HB3 HIS 5 - HE3 LYS 31 far 0 95 0 - 6.0-46.7 HB3 HIS 5 - HE3 LYS 24 far 0 100 0 - 9.5-41.5 HB3 HIS 5 - HE2 LYS 26 far 0 95 0 - 9.9-49.2 Violated in 0 structures by 0.00 A. Peak 2712 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 99 99 - 100 HE3 LYS 19 + HE3 LYS 19 OK 98 98 - 100 HE2 LYS 31 + HE2 LYS 31 OK 98 98 - 100 HE2 LYS 26 + HE2 LYS 26 OK 93 93 - 100 HE3 LYS 26 + HE3 LYS 26 OK 93 93 - 100 HE3 LYS 31 + HE3 LYS 31 OK 93 93 - 100 Peak 2714 from cnoeabs.peaks (8.12, 4.26, 61.26 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 87 + HA PHE 87 OK 100 100 100 100 2.7-2.8 2.9=100 H GLU 91 + HA PHE 87 OK 97 98 100 99 4.0-4.5 7226=53, 7230/7206=53...(17) Violated in 0 structures by 0.00 A. Peak 2715 from cnoeabs.peaks (4.26, 4.26, 61.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 87 + HA PHE 87 OK 100 100 - 100 Peak 2716 from cnoeabs.peaks (3.23, 4.26, 61.26 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 87 + HA PHE 87 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 87 + HA PHE 87 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 135 - HA PHE 87 far 0 100 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 2717 from cnoeabs.peaks (3.23, 4.26, 61.26 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 87 + HA PHE 87 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PHE 87 + HA PHE 87 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 135 - HA PHE 87 far 0 100 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 2718 from cnoeabs.peaks (7.32, 4.26, 61.26 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 87 + HA PHE 87 OK 100 100 100 100 2.3-3.0 3.7=100 Violated in 0 structures by 0.00 A. Peak 2719 from cnoeabs.peaks (7.27, 4.26, 61.26 ppm; 4.96 A): 1 out of 4 assignments used, quality = 0.86: * QE PHE 87 + HA PHE 87 OK 86 100 100 86 4.3-4.6 5.6=69, 7168/2.9=26...(5) HE ARG 84 - HA PHE 87 far 4 87 5 - 6.1-11.0 H ASN 85 - HA PHE 87 far 0 100 0 - 7.1-7.4 HD21 ASN 85 - HA PHE 87 far 0 73 0 - 7.3-10.1 Violated in 0 structures by 0.00 A. Peak 2721 from cnoeabs.peaks (7.86, 4.26, 61.26 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 88 + HA PHE 87 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2722 from cnoeabs.peaks (8.56, 4.26, 61.26 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HA PHE 87 OK 100 100 100 100 3.7-4.2 7206=100, 3.8/2723=69...(17) Violated in 0 structures by 0.00 A. Peak 2723 from cnoeabs.peaks (1.91, 4.26, 61.26 ppm; 5.72 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 90 + HA PHE 87 OK 100 100 100 100 3.7-5.5 3.8/7206=80, 1.8/2804=69...(18) HB3 ARG 84 - HA PHE 87 far 0 98 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (1.95, 4.26, 61.26 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 86 + HA PHE 87 OK 99 100 100 99 3.7-5.5 7157/2.9=69, ~7156=45...(26) * HB3 ARG 90 + HA PHE 87 OK 98 100 100 98 3.2-5.6 3.8/7206=47...(19) Violated in 0 structures by 0.00 A. Peak 2725 from cnoeabs.peaks (4.25, 3.23, 38.18 ppm; 4.16 A): 4 out of 4 assignments used, quality = 1.00: HA ARG 84 + HB3 PHE 87 OK 95 99 100 96 3.4-4.6 2530/4.0=46, 2532=39...(17) * HA ARG 84 + HB2 PHE 87 OK 94 100 100 94 3.6-5.2 2530/4.0=46, 2532=38...(18) HA PHE 87 + HB2 PHE 87 OK 89 89 100 100 2.4-3.0 3.0=100 HA PHE 87 + HB3 PHE 87 OK 87 87 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2726 from cnoeabs.peaks (8.12, 3.23, 38.18 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * H PHE 87 + HB2 PHE 87 OK 99 100 100 99 2.3-3.6 4.0=92, 7166/1.8=43...(14) H PHE 87 + HB3 PHE 87 OK 99 99 100 99 2.1-2.8 4.0=92, 7165/1.8=43...(14) H GLU 91 - HB2 PHE 87 far 10 98 10 - 5.3-6.5 H GLU 91 - HB3 PHE 87 far 0 97 0 - 5.9-6.6 H VAL 133 - HB2 PHE 87 far 0 60 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 2727 from cnoeabs.peaks (4.26, 3.23, 38.18 ppm; 4.22 A): 4 out of 4 assignments used, quality = 1.00: * HA PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.4-3.0 3.0=100 HA PHE 87 + HB3 PHE 87 OK 99 99 100 100 2.3-3.0 3.0=100 HA ARG 84 + HB2 PHE 87 OK 82 89 100 93 3.6-5.2 2530/4.0=39, 2532=32...(18) HA ARG 84 + HB3 PHE 87 OK 82 87 100 94 3.4-4.6 2530/4.0=39, 2532=33...(17) Violated in 0 structures by 0.00 A. Peak 2728 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 87 + HB2 PHE 87 OK 100 100 - 100 HB3 PHE 87 + HB3 PHE 87 OK 99 99 - 100 Peak 2729 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 PHE 87 + HB2 PHE 87 OK 100 100 - 100 HB3 PHE 87 + HB3 PHE 87 OK 99 99 - 100 Reference assignment not found: HB3 PHE 87 - HB2 PHE 87 Peak 2730 from cnoeabs.peaks (7.32, 3.23, 38.18 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: * QD PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 QD PHE 87 + HB3 PHE 87 OK 99 99 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 2731 from cnoeabs.peaks (7.27, 3.23, 38.18 ppm; 4.87 A): 4 out of 8 assignments used, quality = 1.00: * QE PHE 87 + HB2 PHE 87 OK 100 100 100 100 4.4-4.5 4.4=100 QE PHE 87 + HB3 PHE 87 OK 99 99 100 100 4.4-4.5 4.4=100 H ASN 85 + HB3 PHE 87 OK 77 99 95 82 5.5-6.8 3.6/2532=33, 7115/4.0=29...(8) H ASN 85 + HB2 PHE 87 OK 48 100 60 79 5.6-7.3 3.6/2531=32, 7115/4.0=29...(9) HE ARG 84 - HB3 PHE 87 poor 17 85 20 - 3.6-9.1 HE ARG 84 - HB2 PHE 87 far 13 87 15 - 3.5-9.3 HD21 ASN 85 - HB3 PHE 87 far 0 71 0 - 6.6-9.6 HD21 ASN 85 - HB2 PHE 87 far 0 73 0 - 7.2-10.5 Violated in 0 structures by 0.00 A. Peak 2733 from cnoeabs.peaks (7.86, 3.23, 38.18 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 88 + HB2 PHE 87 OK 100 100 100 100 2.2-3.8 4.5=77, 7170/4.0=57...(27) H ALA 88 + HB3 PHE 87 OK 99 99 100 100 2.2-3.9 4.5=77, 7170/4.0=57...(28) Violated in 0 structures by 0.00 A. Peak 2734 from cnoeabs.peaks (4.25, 3.23, 38.18 ppm; 4.16 A): 4 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HB3 PHE 87 OK 95 100 100 95 3.4-4.6 2530/4.0=46, 2532=39...(17) HA ARG 84 + HB2 PHE 87 OK 94 99 100 94 3.6-5.2 2530/4.0=46, 2532=38...(18) HA PHE 87 + HB3 PHE 87 OK 89 89 100 100 2.3-3.0 3.0=100 HA PHE 87 + HB2 PHE 87 OK 87 87 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2735 from cnoeabs.peaks (8.12, 3.23, 38.18 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * H PHE 87 + HB3 PHE 87 OK 99 100 100 99 2.1-2.8 4.0=92, 7165/1.8=43...(14) H PHE 87 + HB2 PHE 87 OK 99 99 100 99 2.3-3.6 4.0=92, 7166/1.8=43...(14) H GLU 91 - HB2 PHE 87 far 10 97 10 - 5.3-6.5 H GLU 91 - HB3 PHE 87 far 0 98 0 - 5.9-6.6 H VAL 133 - HB2 PHE 87 far 0 58 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 2736 from cnoeabs.peaks (4.26, 3.23, 38.18 ppm; 4.22 A): 4 out of 4 assignments used, quality = 1.00: * HA PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.3-3.0 3.0=100 HA PHE 87 + HB2 PHE 87 OK 99 99 100 100 2.4-3.0 3.0=100 HA ARG 84 + HB3 PHE 87 OK 83 89 100 94 3.4-4.6 2530/4.0=39, 2532=34...(17) HA ARG 84 + HB2 PHE 87 OK 80 87 100 92 3.6-5.2 2530/4.0=39, 2532=33...(17) Violated in 0 structures by 0.00 A. Peak 2737 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 87 + HB3 PHE 87 OK 100 100 - 100 HB2 PHE 87 + HB2 PHE 87 OK 99 99 - 100 Reference assignment not found: HB2 PHE 87 - HB3 PHE 87 Peak 2738 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 87 + HB3 PHE 87 OK 100 100 - 100 HB2 PHE 87 + HB2 PHE 87 OK 99 99 - 100 Peak 2739 from cnoeabs.peaks (7.32, 3.23, 38.18 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: * QD PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 QD PHE 87 + HB2 PHE 87 OK 99 99 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 2740 from cnoeabs.peaks (7.27, 3.23, 38.18 ppm; 4.87 A): 4 out of 8 assignments used, quality = 1.00: * QE PHE 87 + HB3 PHE 87 OK 100 100 100 100 4.4-4.5 4.4=100 QE PHE 87 + HB2 PHE 87 OK 99 99 100 100 4.4-4.5 4.4=100 H ASN 85 + HB3 PHE 87 OK 78 100 95 82 5.5-6.8 3.6/2532=33, 7115/4.0=29...(8) H ASN 85 + HB2 PHE 87 OK 47 99 60 79 5.6-7.3 3.6/2532=32, 7115/4.0=29...(9) HE ARG 84 - HB3 PHE 87 poor 17 87 20 - 3.6-9.1 HE ARG 84 - HB2 PHE 87 far 13 85 15 - 3.5-9.3 HD21 ASN 85 - HB3 PHE 87 far 0 73 0 - 6.6-9.6 HD21 ASN 85 - HB2 PHE 87 far 0 71 0 - 7.2-10.5 Violated in 0 structures by 0.00 A. Peak 2742 from cnoeabs.peaks (7.86, 3.23, 38.18 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 88 + HB3 PHE 87 OK 100 100 100 100 2.2-3.9 4.5=77, 7170/4.0=57...(28) H ALA 88 + HB2 PHE 87 OK 99 99 100 100 2.2-3.8 4.5=77, 7170/4.0=57...(27) Violated in 0 structures by 0.00 A. Peak 2743 from cnoeabs.peaks (7.86, 4.20, 54.89 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 88 + HA ALA 88 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 128 - HA ALA 88 far 0 65 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 2744 from cnoeabs.peaks (4.20, 4.20, 54.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 88 + HA ALA 88 OK 100 100 - 100 Peak 2745 from cnoeabs.peaks (1.66, 4.20, 54.89 ppm; 3.20 A): 1 out of 7 assignments used, quality = 1.00: * QB ALA 88 + HA ALA 88 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 95 - HA ALA 88 far 0 100 0 - 6.9-10.4 HG2 ARG 84 - HA ALA 88 far 0 73 0 - 7.1-10.7 HD2 LYS 95 - HA ALA 88 far 0 99 0 - 7.3-10.9 HG3 ARG 84 - HA ALA 88 far 0 73 0 - 7.4-10.4 HD2 LYS 86 - HA ALA 88 far 0 100 0 - 8.2-11.0 HD3 LYS 86 - HA ALA 88 far 0 100 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (8.69, 4.20, 54.89 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + HA ALA 88 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 2747 from cnoeabs.peaks (8.13, 4.20, 54.89 ppm; 4.42 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 91 + HA ALA 88 OK 100 100 100 100 3.5-3.7 7227=100, 2869/2868=61...(18) H PHE 87 + HA ALA 88 OK 97 98 100 99 5.3-5.5 7170/2.9=78, 7171/3.6=43...(15) H VAL 133 - HA ALA 88 far 0 83 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 2748 from cnoeabs.peaks (1.99, 4.20, 54.89 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 91 + HA ALA 88 OK 100 100 100 100 2.4-2.8 2860=100, 1.8/2868=93...(20) HG2 ARG 90 + HA ALA 88 OK 34 63 80 68 5.0-6.6 4.6/7208=27...(11) HB ILE 129 - HA ALA 88 far 0 99 0 - 8.4-9.9 HG2 PRO 81 - HA ALA 88 far 0 100 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2749 from cnoeabs.peaks (2.03, 4.20, 54.89 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 91 + HA ALA 88 OK 100 100 100 100 3.4-4.4 2868=100, 1.8/2860=91...(16) HG2 ARG 90 + HA ALA 88 OK 68 97 90 78 5.0-6.6 2822/7227=34...(11) HG3 ARG 135 - HA ALA 88 far 0 100 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 2750 from cnoeabs.peaks (4.81, 1.66, 18.14 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.95: * HA ASN 85 + QB ALA 88 OK 95 100 100 95 2.7-3.3 7174/7185=47...(15) Violated in 0 structures by 0.00 A. Peak 2751 from cnoeabs.peaks (7.86, 1.66, 18.14 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 88 + QB ALA 88 OK 100 100 100 100 2.1-2.2 3.0=100 H GLU 128 - QB ALA 88 far 0 65 0 - 6.8-9.3 Violated in 0 structures by 0.00 A. Peak 2752 from cnoeabs.peaks (4.20, 1.66, 18.14 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + QB ALA 88 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 128 - QB ALA 88 far 0 99 0 - 5.6-8.5 HA SER 94 - QB ALA 88 far 0 60 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 2753 from cnoeabs.peaks (1.66, 1.66, 18.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 88 + QB ALA 88 OK 100 100 - 100 Peak 2754 from cnoeabs.peaks (8.69, 1.66, 18.14 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + QB ALA 88 OK 100 100 100 100 2.8-3.0 3.7=100 Violated in 0 structures by 0.00 A. Peak 2755 from cnoeabs.peaks (8.69, 4.08, 62.01 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + HA PHE 89 OK 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 2756 from cnoeabs.peaks (4.08, 4.08, 62.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 89 + HA PHE 89 OK 100 100 - 100 Peak 2757 from cnoeabs.peaks (3.31, 4.08, 62.01 ppm; 4.89 A): 3 out of 3 assignments used, quality = 1.00: * HB2 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 89 + HA PHE 89 OK 85 85 100 100 2.4-3.0 3.0=100 HB3 CYS 73 + HA PHE 89 OK 29 99 45 64 5.4-8.1 11148/6.0=25...(10) Violated in 0 structures by 0.00 A. Peak 2758 from cnoeabs.peaks (3.33, 4.08, 62.01 ppm; 4.89 A): 3 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 89 + HA PHE 89 OK 85 85 100 100 2.4-3.0 3.0=100 HB3 CYS 73 + HA PHE 89 OK 27 96 45 64 5.4-8.1 11148/6.0=24...(10) Violated in 0 structures by 0.00 A. Peak 2759 from cnoeabs.peaks (7.07, 4.08, 62.01 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 89 + HA PHE 89 OK 100 100 100 100 2.9-3.3 3.1=100 HE ARG 135 - HA PHE 89 far 0 93 0 - 7.3-11.4 Violated in 0 structures by 0.00 A. Peak 2760 from cnoeabs.peaks (7.40, 4.08, 62.01 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + HA PHE 89 OK 100 100 100 100 4.5-4.9 4.7=100 Violated in 0 structures by 0.00 A. Peak 2762 from cnoeabs.peaks (8.56, 4.08, 62.01 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HA PHE 89 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2763 from cnoeabs.peaks (7.82, 4.08, 62.01 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HA PHE 89 OK 100 100 100 100 3.6-4.0 7247=100, 7257/2897=96...(16) Violated in 0 structures by 0.00 A. Peak 2764 from cnoeabs.peaks (1.43, 4.08, 62.01 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 92 + HA PHE 89 OK 100 100 100 100 2.8-3.4 2897=100, 7257/7247=71...(19) HG2 LYS 86 - HA PHE 89 far 0 98 0 - 6.5-8.3 QB ALA 34 - HA PHE 89 far 0 97 0 - 9.5-17.4 Violated in 0 structures by 0.00 A. Peak 2765 from cnoeabs.peaks (3.89, 3.31, 39.75 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 86 + HB2 PHE 89 OK 100 100 100 100 1.9-3.5 11327/2.7=96...(19) HA LYS 86 + HB3 PHE 89 OK 61 61 100 100 2.1-3.5 11327/2.7=96...(16) HB2 SER 94 - HB2 PHE 89 far 5 92 5 - 8.2-10.8 HB2 SER 94 - HB3 PHE 89 far 0 51 0 - 9.2-11.4 HA3 GLY 75 - HB2 PHE 89 far 0 90 0 - 9.2-11.6 HA3 GLY 75 - HB3 PHE 89 far 0 50 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 2766 from cnoeabs.peaks (8.69, 3.31, 39.75 ppm; 5.63 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.3-2.8 3.5=100 H PHE 89 + HB3 PHE 89 OK 61 61 100 100 2.3-2.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 2767 from cnoeabs.peaks (4.08, 3.31, 39.75 ppm; 5.86 A): 2 out of 8 assignments used, quality = 1.00: * HA PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HA PHE 89 + HB3 PHE 89 OK 61 61 100 100 2.4-3.0 3.0=100 HB2 SER 74 - HB2 PHE 89 far 0 87 0 - 8.6-11.5 HB3 SER 74 - HB2 PHE 89 far 0 89 0 - 8.8-12.1 HA CYS 79 - HB2 PHE 89 far 0 83 0 - 9.1-10.9 HB2 SER 74 - HB3 PHE 89 far 0 47 0 - 9.4-11.4 HA CYS 79 - HB3 PHE 89 far 0 44 0 - 9.5-10.7 HB3 SER 74 - HB3 PHE 89 far 0 48 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 2768 from cnoeabs.peaks (3.31, 3.31, 39.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 89 + HB2 PHE 89 OK 100 100 - 100 HB3 PHE 89 + HB3 PHE 89 OK 46 46 - 100 Peak 2769 from cnoeabs.peaks (3.33, 3.31, 39.75 ppm; diagonal): 2 out of 2 assignments used, quality = 0.94: HB2 PHE 89 + HB2 PHE 89 OK 85 85 - 100 HB3 PHE 89 + HB3 PHE 89 OK 61 61 - 100 Reference assignment not found: HB3 PHE 89 - HB2 PHE 89 Peak 2770 from cnoeabs.peaks (7.07, 3.31, 39.75 ppm; 6.28 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 QD PHE 89 + HB3 PHE 89 OK 61 61 100 100 2.3-2.7 2.7=100 HE ARG 135 - HB2 PHE 89 poor 17 93 25 71 6.3-11.9 11875/10537=32...(7) HE ARG 135 - HB3 PHE 89 poor 16 52 30 - 6.2-10.2 Violated in 0 structures by 0.00 A. Peak 2773 from cnoeabs.peaks (8.56, 3.31, 39.75 ppm; 6.10 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HB2 PHE 89 OK 100 100 100 100 2.2-4.0 4.4=100 H ARG 90 + HB3 PHE 89 OK 61 61 100 100 2.2-3.9 4.4=100 Violated in 0 structures by 0.00 A. Peak 2774 from cnoeabs.peaks (3.89, 3.33, 39.75 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 86 + HB3 PHE 89 OK 100 100 100 100 2.1-3.5 11327/2.7=96...(16) HA LYS 86 + HB2 PHE 89 OK 61 61 100 100 1.9-3.5 11327/2.7=96...(19) HB2 SER 94 - HB2 PHE 89 far 3 51 5 - 8.2-10.8 HB2 SER 94 - HB3 PHE 89 far 0 92 0 - 9.2-11.4 HA3 GLY 75 - HB2 PHE 89 far 0 50 0 - 9.2-11.6 HA3 GLY 75 - HB3 PHE 89 far 0 90 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 2775 from cnoeabs.peaks (8.69, 3.33, 39.75 ppm; 5.55 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 89 + HB3 PHE 89 OK 100 100 100 100 2.3-2.8 3.5=100 H PHE 89 + HB2 PHE 89 OK 61 61 100 100 2.3-2.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 2776 from cnoeabs.peaks (4.08, 3.33, 39.75 ppm; 6.20 A): 2 out of 8 assignments used, quality = 1.00: * HA PHE 89 + HB3 PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HA PHE 89 + HB2 PHE 89 OK 61 61 100 100 2.4-3.0 3.0=100 HB2 SER 74 - HB2 PHE 89 far 0 47 0 - 8.6-11.5 HB3 SER 74 - HB2 PHE 89 far 0 48 0 - 8.8-12.1 HA CYS 79 - HB2 PHE 89 far 0 44 0 - 9.1-10.9 HB2 SER 74 - HB3 PHE 89 far 0 87 0 - 9.4-11.4 HA CYS 79 - HB3 PHE 89 far 0 83 0 - 9.5-10.7 HB3 SER 74 - HB3 PHE 89 far 0 89 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 2777 from cnoeabs.peaks (3.31, 3.33, 39.75 ppm; diagonal): 2 out of 2 assignments used, quality = 0.94: HB3 PHE 89 + HB3 PHE 89 OK 85 85 - 100 HB2 PHE 89 + HB2 PHE 89 OK 61 61 - 100 Reference assignment not found: HB2 PHE 89 - HB3 PHE 89 Peak 2778 from cnoeabs.peaks (3.33, 3.33, 39.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 89 + HB3 PHE 89 OK 100 100 - 100 HB2 PHE 89 + HB2 PHE 89 OK 46 46 - 100 Peak 2779 from cnoeabs.peaks (7.07, 3.33, 39.75 ppm; 6.50 A): 3 out of 4 assignments used, quality = 1.00: * QD PHE 89 + HB3 PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 QD PHE 89 + HB2 PHE 89 OK 61 61 100 100 2.3-2.7 2.7=100 HE ARG 135 + HB3 PHE 89 OK 23 93 40 63 6.2-10.2 11290/4.7=31...(5) HE ARG 135 - HB2 PHE 89 poor 16 52 30 - 6.3-11.9 Violated in 0 structures by 0.00 A. Peak 2782 from cnoeabs.peaks (8.56, 3.33, 39.75 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HB3 PHE 89 OK 100 100 100 100 2.2-3.9 4.4=100 H ARG 90 + HB2 PHE 89 OK 61 61 100 100 2.2-4.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 2783 from cnoeabs.peaks (8.56, 3.79, 59.97 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HA ARG 90 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2784 from cnoeabs.peaks (3.79, 3.79, 59.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 90 + HA ARG 90 OK 100 100 - 100 Peak 2785 from cnoeabs.peaks (1.91, 3.79, 59.97 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 - HA ARG 90 far 0 73 0 - 8.0-9.7 HB3 LYS 95 - HA ARG 90 far 0 65 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 2786 from cnoeabs.peaks (1.95, 3.79, 59.97 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 86 - HA ARG 90 far 0 100 0 - 6.6-8.1 HB2 LYS 95 - HA ARG 90 far 0 93 0 - 8.0-9.7 HB2 GLU 30 - HA ARG 90 far 0 100 0 - 8.5-27.8 HB3 LYS 95 - HA ARG 90 far 0 97 0 - 8.7-10.5 HB2 GLN 27 - HA ARG 90 far 0 93 0 - 10.0-28.9 Violated in 0 structures by 0.00 A. Peak 2787 from cnoeabs.peaks (2.02, 3.79, 59.97 ppm; 3.88 A): 1 out of 6 assignments used, quality = 1.00: * HG2 ARG 90 + HA ARG 90 OK 100 100 100 100 3.1-4.0 3.8=100 HB2 GLU 91 - HA ARG 90 far 0 63 0 - 5.5-5.8 HB3 GLU 91 - HA ARG 90 far 0 97 0 - 6.2-6.6 HB ILE 129 - HA ARG 90 far 0 83 0 - 7.1-8.4 HB3 GLU 30 - HA ARG 90 far 0 100 0 - 7.2-27.8 HG2 PRO 81 - HA ARG 90 far 0 73 0 - 9.8-12.9 Violated in 4 structures by 0.02 A. Peak 2788 from cnoeabs.peaks (1.73, 3.79, 59.97 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.6-3.7 2824=95, 1.8/2787=72...(27) HG13 ILE 129 + HA ARG 90 OK 44 96 65 70 4.6-6.9 2.1/10467=20...(10) HB ILE 80 - HA ARG 90 far 0 100 0 - 7.1-8.8 HB3 LEU 70 - HA ARG 90 far 0 87 0 - 8.6-11.9 HB2 LEU 70 - HA ARG 90 far 0 81 0 - 8.9-11.9 HG LEU 98 - HA ARG 90 far 0 76 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 2789 from cnoeabs.peaks (3.17, 3.79, 59.97 ppm; 5.37 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 4.0-5.4 5.2=100 HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 3.8-5.5 5.2=100 Violated in 0 structures by 0.00 A. Peak 2790 from cnoeabs.peaks (3.17, 3.79, 59.97 ppm; 5.25 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 3.8-5.5 5.2=100 HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 4.0-5.4 5.2=100 Violated in 0 structures by 0.00 A. Peak 2791 from cnoeabs.peaks (8.13, 3.79, 59.97 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HA ARG 90 OK 100 100 100 100 3.5-3.6 3.6=100 H PHE 87 - HA ARG 90 far 0 98 0 - 7.2-7.6 H VAL 133 - HA ARG 90 far 0 83 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (8.43, 3.79, 59.97 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 93 + HA ARG 90 OK 100 100 100 100 3.2-3.6 7262=100, 7270/9953=88...(14) H SER 74 + HA ARG 90 OK 27 63 50 85 6.5-7.6 2918/9953=35...(11) Violated in 0 structures by 0.00 A. Peak 2793 from cnoeabs.peaks (1.83, 3.79, 59.97 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 93 + HA ARG 90 OK 100 100 100 100 2.1-4.2 2.1/9953=72, 2.1/9962=68...(15) Violated in 1 structures by 0.02 A. Peak 2794 from cnoeabs.peaks (4.26, 1.91, 29.98 ppm; 6.03 A): 2 out of 4 assignments used, quality = 1.00: * HA PHE 87 + HB2 ARG 90 OK 100 100 100 100 3.7-5.5 2723=100, 7206/3.8=85...(18) HA SER 74 + HB2 ARG 90 OK 41 68 90 66 5.4-8.3 2804/1.8=20...(6) HA ALA 28 - HB2 ARG 90 far 0 65 0 - 8.9-29.1 HA ARG 84 - HB2 ARG 90 far 0 89 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 2795 from cnoeabs.peaks (8.56, 1.91, 29.98 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.5-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2796 from cnoeabs.peaks (3.79, 1.91, 29.98 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HA VAL 133 - HB2 ARG 90 far 0 65 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 2797 from cnoeabs.peaks (1.91, 1.91, 29.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 90 + HB2 ARG 90 OK 100 100 - 100 Peak 2798 from cnoeabs.peaks (1.95, 1.91, 29.98 ppm; 2.75 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 86 - HB2 ARG 90 far 0 100 0 - 4.9-7.9 HB2 GLU 30 - HB2 ARG 90 far 0 100 0 - 8.4-30.0 HB2 LYS 95 - HB2 ARG 90 far 0 93 0 - 8.7-11.6 HB3 LYS 95 - HB2 ARG 90 far 0 97 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 2799 from cnoeabs.peaks (2.02, 1.91, 29.98 ppm; 3.78 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 91 - HB2 ARG 90 far 6 63 10 - 4.8-6.5 HB3 GLU 91 - HB2 ARG 90 far 0 97 0 - 5.5-7.4 HB3 GLU 30 - HB2 ARG 90 far 0 100 0 - 7.1-30.0 HB ILE 129 - HB2 ARG 90 far 0 83 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2800 from cnoeabs.peaks (1.73, 1.91, 29.98 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.4-3.0 2.9=100 HB ILE 80 - HB2 ARG 90 far 5 100 5 - 6.0-9.9 HG13 ILE 129 - HB2 ARG 90 far 0 96 0 - 6.7-9.1 HG LEU 98 - HB2 ARG 90 far 0 76 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 2801 from cnoeabs.peaks (3.17, 1.91, 29.98 ppm; 4.91 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-4.0 3.8=100 HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.0-3.9 3.8=100 HD2 ARG 84 - HB2 ARG 90 far 0 68 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 2802 from cnoeabs.peaks (3.17, 1.91, 29.98 ppm; 5.19 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.0-3.9 3.8=100 HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-4.0 3.8=100 HD2 ARG 84 - HB2 ARG 90 far 0 63 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 2803 from cnoeabs.peaks (8.13, 1.91, 29.98 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 91 + HB2 ARG 90 OK 100 100 100 100 2.4-4.1 4.4=100 H PHE 87 + HB2 ARG 90 OK 34 98 35 99 5.8-7.4 2.9/2723=71, 7223/3.8=33...(15) H VAL 133 - HB2 ARG 90 far 0 83 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 2804 from cnoeabs.peaks (4.26, 1.95, 29.98 ppm; 5.47 A): 2 out of 4 assignments used, quality = 1.00: * HA PHE 87 + HB3 ARG 90 OK 100 100 100 100 3.2-5.6 2723/1.8=98, 7206/3.8=75...(21) HA SER 74 + HB3 ARG 90 OK 28 68 55 74 5.7-8.5 11929/11411=23...(10) HA ALA 28 - HB3 ARG 90 far 0 65 0 - 7.5-29.2 HA ARG 84 - HB3 ARG 90 far 0 89 0 - 8.6-11.1 Violated in 0 structures by 0.00 A. Peak 2805 from cnoeabs.peaks (8.56, 1.95, 29.98 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2806 from cnoeabs.peaks (3.79, 1.95, 29.98 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 9 - HB3 ARG 90 far 0 97 0 - 9.5-52.3 HA VAL 133 - HB3 ARG 90 far 0 65 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 2807 from cnoeabs.peaks (1.91, 1.95, 29.98 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 95 - HB3 ARG 90 far 0 73 0 - 8.8-10.7 HB3 LYS 95 - HB3 ARG 90 far 0 65 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 2808 from cnoeabs.peaks (1.95, 1.95, 29.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 90 + HB3 ARG 90 OK 100 100 - 100 Peak 2809 from cnoeabs.peaks (2.02, 1.95, 29.98 ppm; 4.35 A): 3 out of 6 assignments used, quality = 1.00: * HG2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 91 + HB3 ARG 90 OK 50 63 90 89 4.2-6.3 4.0/7233=58, 7219/3.8=21...(20) HB3 GLU 91 + HB3 ARG 90 OK 38 97 45 86 4.7-6.8 4.0/7233=58, ~2827=9...(17) HB3 GLU 30 - HB3 ARG 90 far 0 100 0 - 6.8-29.9 HB ILE 129 - HB3 ARG 90 far 0 83 0 - 9.4-10.8 HG2 PRO 81 - HB3 ARG 90 far 0 73 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 2810 from cnoeabs.peaks (1.73, 1.95, 29.98 ppm; 4.41 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.5-3.0 2.9=100 HB ILE 80 - HB3 ARG 90 far 0 100 0 - 6.4-9.7 HG13 ILE 129 - HB3 ARG 90 far 0 96 0 - 6.7-8.7 HG LEU 98 - HB3 ARG 90 far 0 76 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 2811 from cnoeabs.peaks (3.17, 1.95, 29.98 ppm; 4.98 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-4.0 3.8=100 HD2 ARG 84 - HB3 ARG 90 far 0 68 0 - 9.1-14.2 HD3 ARG 84 - HB3 ARG 90 far 0 68 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 2812 from cnoeabs.peaks (3.17, 1.95, 29.98 ppm; 5.03 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-4.0 3.8=100 HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HD2 ARG 84 - HB3 ARG 90 far 0 63 0 - 9.1-14.2 HD3 ARG 84 - HB3 ARG 90 far 0 63 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 2813 from cnoeabs.peaks (8.13, 1.95, 29.98 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 91 + HB3 ARG 90 OK 100 100 100 100 2.5-3.8 4.4=100 H PHE 87 + HB3 ARG 90 OK 39 98 40 99 4.9-7.4 ~2723=52, 2.9/2804=43...(21) Violated in 0 structures by 0.00 A. Peak 2814 from cnoeabs.peaks (8.56, 2.02, 28.15 ppm; 4.02 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.0-4.0 2823/1.8=72, 7219=67...(26) H ALA 46 + HB2 GLU 44 OK 42 54 80 97 4.4-6.2 3.2/6539=57, ~1416=36...(12) H GLY 114 - HG2 PRO 58 far 0 61 0 - 5.7-15.2 H ALA 46 - HB3 GLU 40 far 0 40 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2815 from cnoeabs.peaks (3.79, 2.02, 28.15 ppm; 4.55 A): 3 out of 18 assignments used, quality = 1.00: * HA ARG 90 + HG2 ARG 90 OK 100 100 100 100 3.1-4.0 3.8=100 HA LEU 43 + HB2 GLU 44 OK 81 88 95 98 5.5-6.5 3.6/6526=76, ~9140=31...(16) HD3 PRO 58 + HG2 PRO 58 OK 35 35 100 100 2.3-3.0 2.3=100 HB2 SER 9 - HB3 GLU 40 far 0 74 0 - 7.2-51.2 HA LEU 43 - HB3 GLU 40 far 0 70 0 - 7.3-8.9 HB3 SER 130 - HB2 GLU 44 far 0 75 0 - 7.5-9.4 HB3 SER 9 - HB3 GLU 40 far 0 73 0 - 7.7-51.4 HB2 SER 130 - HB2 GLU 44 far 0 56 0 - 8.0-9.1 HB3 SER 9 - HB2 GLU 44 far 0 90 0 - 8.3-46.7 HB2 SER 9 - HB2 GLU 44 far 0 91 0 - 8.4-46.5 HA SER 130 - HB2 GLU 44 far 0 89 0 - 8.5-9.6 HA VAL 133 - HG2 ARG 90 far 0 65 0 - 8.6-13.2 HB3 SER 9 - HG2 PRO 58 far 0 56 0 - 8.8-50.3 HA SER 130 - HB3 GLU 40 far 0 71 0 - 9.2-12.0 HB3 SER 130 - HB3 GLU 40 far 0 59 0 - 9.2-13.0 HB2 SER 9 - HG2 PRO 58 far 0 57 0 - 9.6-51.8 HA VAL 133 - HB3 GLU 40 far 0 45 0 - 9.6-13.9 HB2 SER 130 - HB3 GLU 40 far 0 43 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 2816 from cnoeabs.peaks (1.91, 2.02, 28.15 ppm; 3.61 A): 2 out of 12 assignments used, quality = 1.00: * HB2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 40 + HB3 GLU 40 OK 69 69 100 100 1.8-1.8 1.8=100 HB2 GLU 40 - HB2 GLU 44 poor 14 86 40 41 4.2-8.1 3.0/10853=17...(4) HB3 LYS 36 - HB2 GLU 44 far 5 54 10 - 4.9-12.9 HB3 LYS 36 - HB3 GLU 40 far 2 40 5 - 4.5-14.7 HB3 LEU 48 - HB2 GLU 44 far 0 77 0 - 6.1-9.2 HB2 PRO 113 - HG2 PRO 58 far 0 61 0 - 6.6-14.7 HG2 PRO 113 - HG2 PRO 58 far 0 46 0 - 7.8-17.0 HB2 MET 11 - HG2 PRO 58 far 0 57 0 - 8.0-47.6 HB2 LYS 95 - HG2 ARG 90 far 0 73 0 - 8.3-12.5 HB3 ARG 84 - HG2 ARG 90 far 0 98 0 - 9.7-12.3 HB3 LEU 49 - HB2 GLU 44 far 0 95 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 2817 from cnoeabs.peaks (1.95, 2.02, 28.15 ppm; 4.35 A): 3 out of 15 assignments used, quality = 1.00: * HB3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 PRO 58 + HG2 PRO 58 OK 61 61 100 100 2.3-2.7 2.3=100 HB3 LYS 86 + HG2 ARG 90 OK 53 100 55 96 3.5-8.2 9823/9662=38...(22) HB2 GLN 27 - HB2 GLU 44 far 9 86 10 - 2.5-24.3 HB2 GLU 30 - HG2 PRO 58 far 0 60 0 - 6.1-29.0 HB ILE 37 - HB2 GLU 44 far 0 81 0 - 6.2-10.9 HB ILE 37 - HB3 GLU 40 far 0 64 0 - 7.6-10.7 HB2 GLN 27 - HB3 GLU 40 far 0 69 0 - 7.7-27.6 HG2 PRO 113 - HG2 PRO 58 far 0 46 0 - 7.8-17.0 HB2 MET 11 - HG2 PRO 58 far 0 31 0 - 8.0-47.6 HB2 LYS 95 - HG2 ARG 90 far 0 93 0 - 8.3-12.5 HB2 GLU 30 - HB2 GLU 44 far 0 95 0 - 8.9-22.8 HB3 PRO 81 - HB3 GLU 40 far 0 77 0 - 9.2-18.1 HB2 GLU 30 - HG2 ARG 90 far 0 100 0 - 9.9-31.6 HB3 PRO 81 - HG2 ARG 90 far 0 99 0 - 10.0-15.1 Violated in 0 structures by 0.00 A. Peak 2818 from cnoeabs.peaks (2.02, 2.02, 28.15 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 ARG 90 + HG2 ARG 90 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 96 96 - 100 HB3 GLU 40 + HB3 GLU 40 OK 70 70 - 100 HG2 PRO 58 + HG2 PRO 58 OK 61 61 - 100 Peak 2819 from cnoeabs.peaks (1.73, 2.02, 28.15 ppm; 3.18 A): 1 out of 23 assignments used, quality = 1.00: * HG3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 43 - HB2 GLU 44 poor 18 95 25 77 4.2-6.7 6520/6526=34...(14) HB2 LYS 39 - HB3 GLU 40 poor 14 40 35 - 4.1-6.9 HD3 LYS 39 - HB3 GLU 40 far 9 60 15 - 2.9-7.0 HB2 LEU 43 - HB3 GLU 40 far 4 78 5 - 4.6-8.3 HB2 LYS 19 - HG2 PRO 58 far 2 47 5 - 3.7-36.1 HB2 LYS 24 - HB3 GLU 40 far 0 67 0 - 5.6-33.1 HB2 ARG 23 - HG2 PRO 58 far 0 39 0 - 5.7-30.4 HB ILE 80 - HG2 ARG 90 far 0 100 0 - 5.8-10.8 HG LEU 48 - HB2 GLU 44 far 0 77 0 - 6.0-9.1 HB2 LYS 24 - HB2 GLU 44 far 0 85 0 - 6.7-29.0 HB2 LYS 26 - HG2 PRO 58 far 0 47 0 - 6.9-26.6 HG13 ILE 129 - HG2 ARG 90 far 0 96 0 - 6.9-9.0 HB2 LYS 31 - HB2 GLU 44 far 0 90 0 - 6.9-21.6 HB2 LYS 26 - HB2 GLU 44 far 0 79 0 - 7.1-27.2 HB2 LYS 24 - HG2 PRO 58 far 0 51 0 - 7.3-28.9 HB2 ARG 23 - HB3 GLU 40 far 0 53 0 - 7.6-35.0 HB2 LYS 31 - HB3 GLU 40 far 0 73 0 - 8.0-24.0 HB2 ARG 23 - HB2 GLU 44 far 0 69 0 - 8.2-29.9 HB2 LYS 39 - HB2 GLU 44 far 0 54 0 - 8.5-11.0 HD3 LYS 39 - HB2 GLU 44 far 0 77 0 - 8.7-13.1 HB2 LYS 19 - HB2 GLU 44 far 0 79 0 - 9.7-35.1 HG LEU 98 - HG2 ARG 90 far 0 76 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 2820 from cnoeabs.peaks (3.17, 2.02, 28.15 ppm; 4.13 A): 2 out of 14 assignments used, quality = 1.00: * HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 7 - HB2 GLU 44 far 4 81 5 - 4.3-52.8 HB3 HIS 7 - HB3 GLU 40 far 3 64 5 - 4.7-56.9 HB2 HIS 6 - HB3 GLU 40 far 0 67 0 - 5.8-58.6 HB3 HIS 6 - HB3 GLU 40 far 0 77 0 - 6.3-60.1 HB2 HIS 6 - HB2 GLU 44 far 0 85 0 - 8.0-54.7 HD3 ARG 23 - HB2 GLU 44 far 0 95 0 - 8.3-32.2 HD2 ARG 84 - HG2 ARG 90 far 0 68 0 - 8.3-14.3 HB3 HIS 6 - HB2 GLU 44 far 0 94 0 - 8.6-56.3 HD2 ARG 23 - HB2 GLU 44 far 0 95 0 - 8.8-32.6 HD3 ARG 84 - HG2 ARG 90 far 0 68 0 - 8.9-13.8 HD3 ARG 23 - HG2 PRO 58 far 0 61 0 - 9.0-30.3 HD2 ARG 23 - HG2 PRO 58 far 0 61 0 - 9.6-30.9 Violated in 0 structures by 0.00 A. Peak 2821 from cnoeabs.peaks (3.17, 2.02, 28.15 ppm; 4.07 A): 2 out of 14 assignments used, quality = 1.00: * HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 7 - HB2 GLU 44 far 4 85 5 - 4.3-52.8 HB3 HIS 7 - HB3 GLU 40 far 3 67 5 - 4.7-56.9 HB2 HIS 6 - HB3 GLU 40 far 0 70 0 - 5.8-58.6 HB3 HIS 6 - HB3 GLU 40 far 0 78 0 - 6.3-60.1 HB2 HIS 6 - HB2 GLU 44 far 0 88 0 - 8.0-54.7 HD3 ARG 23 - HB2 GLU 44 far 0 96 0 - 8.3-32.2 HD2 ARG 84 - HG2 ARG 90 far 0 63 0 - 8.3-14.3 HB3 HIS 6 - HB2 GLU 44 far 0 95 0 - 8.6-56.3 HD2 ARG 23 - HB2 GLU 44 far 0 96 0 - 8.8-32.6 HD3 ARG 84 - HG2 ARG 90 far 0 63 0 - 8.9-13.8 HD3 ARG 23 - HG2 PRO 58 far 0 61 0 - 9.0-30.3 HD2 ARG 23 - HG2 PRO 58 far 0 61 0 - 9.6-30.9 Violated in 0 structures by 0.00 A. Peak 2822 from cnoeabs.peaks (8.13, 2.02, 28.15 ppm; 4.29 A): 2 out of 12 assignments used, quality = 1.00: * H GLU 91 + HG2 ARG 90 OK 99 100 100 99 2.1-4.2 7233/2.9=72, 3.6/2787=62...(15) H PHE 87 + HG2 ARG 90 OK 53 98 55 98 4.1-6.6 ~2723=31, ~2723=25...(26) H ILE 32 - HB2 GLU 44 far 4 85 5 - 5.5-18.5 H LEU 22 - HG2 PRO 58 far 2 39 5 - 5.4-31.6 H THR 25 - HB2 GLU 44 far 0 71 0 - 6.3-27.6 H THR 25 - HB3 GLU 40 far 0 55 0 - 7.0-30.6 H LEU 22 - HB3 GLU 40 far 0 53 0 - 8.0-34.4 H ILE 32 - HB3 GLU 40 far 0 67 0 - 8.5-21.9 H ALA 15 - HG2 PRO 58 far 0 48 0 - 8.9-40.6 H ILE 32 - HG2 PRO 58 far 0 51 0 - 8.9-26.5 H VAL 133 - HG2 ARG 90 far 0 83 0 - 9.1-13.1 H ALA 15 - HB2 GLU 44 far 0 81 0 - 9.6-37.1 Violated in 0 structures by 0.00 A. Peak 2823 from cnoeabs.peaks (8.56, 1.73, 28.15 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HG3 ARG 90 OK 100 100 100 100 1.9-4.4 7220=83, 2.9/2824=68...(28) Violated in 3 structures by 0.02 A. Peak 2824 from cnoeabs.peaks (3.79, 1.73, 28.15 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.6-3.7 3.8=100 HA VAL 133 - HG3 ARG 90 far 0 65 0 - 8.5-13.1 HB3 SER 9 - HG3 ARG 90 far 0 97 0 - 9.3-51.9 Violated in 0 structures by 0.00 A. Peak 2825 from cnoeabs.peaks (1.91, 1.73, 28.15 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 95 - HG3 ARG 90 far 0 73 0 - 7.8-12.2 HB3 LYS 95 - HG3 ARG 90 far 0 65 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 2826 from cnoeabs.peaks (1.95, 1.73, 28.15 ppm; 3.80 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 LYS 86 + HG3 ARG 90 OK 52 100 60 87 4.0-9.1 9823/11303=27...(22) HB2 LYS 95 - HG3 ARG 90 far 0 93 0 - 7.8-12.2 HB3 LYS 95 - HG3 ARG 90 far 0 97 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 2827 from cnoeabs.peaks (2.02, 1.73, 28.15 ppm; 3.11 A): 1 out of 7 assignments used, quality = 1.00: * HG2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 91 - HG3 ARG 90 poor 19 97 20 - 4.2-8.0 HB2 GLU 91 - HG3 ARG 90 poor 17 63 45 59 3.2-7.0 4.0/7235=11...(17) HG2 PRO 81 - HG3 ARG 90 far 0 73 0 - 8.1-15.0 HB ILE 129 - HG3 ARG 90 far 0 83 0 - 8.7-10.4 HG3 PRO 81 - HG3 ARG 90 far 0 60 0 - 9.2-14.2 HB3 GLU 30 - HG3 ARG 90 far 0 100 0 - 9.5-30.8 Violated in 0 structures by 0.00 A. Peak 2828 from cnoeabs.peaks (1.73, 1.73, 28.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 90 + HG3 ARG 90 OK 100 100 - 100 Peak 2829 from cnoeabs.peaks (3.17, 1.73, 28.15 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 - HG3 ARG 90 far 0 68 0 - 7.9-15.8 HD3 ARG 84 - HG3 ARG 90 far 0 68 0 - 8.3-14.5 Violated in 0 structures by 0.00 A. Peak 2830 from cnoeabs.peaks (3.17, 1.73, 28.15 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 - HG3 ARG 90 far 0 63 0 - 7.9-15.8 HD3 ARG 84 - HG3 ARG 90 far 0 63 0 - 8.3-14.5 Violated in 0 structures by 0.00 A. Peak 2831 from cnoeabs.peaks (8.13, 1.73, 28.15 ppm; 6.02 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 91 + HG3 ARG 90 OK 100 100 100 100 1.8-4.9 7233/2.9=99, 3.6/2824=95...(19) H PHE 87 + HG3 ARG 90 OK 83 98 85 100 4.4-7.9 ~2723=62, ~2723=51...(29) H VAL 133 - HG3 ARG 90 far 0 83 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 2832 from cnoeabs.peaks (8.56, 3.17, 43.40 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.0-4.8 2823/3.0=73, 7219/3.0=57...(27) H ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.7-5.7 2823/3.0=73, 7219/3.0=57...(27) Violated in 0 structures by 0.00 A. Peak 2833 from cnoeabs.peaks (3.79, 3.17, 43.40 ppm; 4.48 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 90 + HD2 ARG 90 OK 100 100 100 100 4.0-5.4 2787/3.0=76, 2824/3.0=75...(30) HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.8-5.5 2787/3.0=76, 2824/3.0=75...(30) HB3 SER 9 - HD2 ARG 90 far 0 97 0 - 8.3-53.7 HB3 SER 9 - HD3 ARG 90 far 0 96 0 - 8.9-52.2 HB2 SER 9 - HD3 ARG 23 far 0 87 0 - 9.2-26.0 HB3 SER 9 - HD3 ARG 23 far 0 86 0 - 9.5-24.7 HB3 SER 9 - HD2 ARG 23 far 0 86 0 - 9.5-24.0 HB2 SER 9 - HD2 ARG 90 far 0 97 0 - 9.6-52.9 HB2 SER 9 - HD2 ARG 23 far 0 87 0 - 9.8-25.1 HA VAL 133 - HD2 ARG 90 far 0 65 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 2834 from cnoeabs.peaks (1.91, 3.17, 43.40 ppm; 3.99 A): 2 out of 12 assignments used, quality = 1.00: * HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-4.0 3.8=100 HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.0-3.9 3.8=100 HB3 LYS 36 - HD3 ARG 23 far 3 50 5 - 4.8-26.7 HB3 LYS 36 - HD2 ARG 23 far 3 50 5 - 4.9-26.7 HB2 MET 11 - HD2 ARG 23 far 0 87 0 - 7.9-22.1 HB3 LEU 48 - HD2 ARG 23 far 0 73 0 - 8.0-31.8 HB3 LEU 48 - HD3 ARG 23 far 0 73 0 - 9.1-31.0 HB2 MET 11 - HD3 ARG 23 far 0 87 0 - 9.1-23.0 HB2 LYS 95 - HD3 ARG 90 far 0 73 0 - 9.3-13.1 HB3 ARG 84 - HD3 ARG 90 far 0 98 0 - 9.7-13.5 HB2 LYS 95 - HD2 ARG 90 far 0 73 0 - 9.8-14.0 HB2 GLU 40 - HD3 ARG 23 far 0 82 0 - 10.0-36.3 Violated in 0 structures by 0.00 A. Peak 2835 from cnoeabs.peaks (1.95, 3.17, 43.40 ppm; 3.92 A): 4 out of 17 assignments used, quality = 1.00: * HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-4.0 3.8=100 HB3 LYS 86 + HD3 ARG 90 OK 46 100 60 77 3.6-8.8 2826/3.0=23...(12) HB3 LYS 86 + HD2 ARG 90 OK 41 100 50 83 3.2-7.4 2826/3.0=23...(14) HB2 GLU 30 - HD3 ARG 23 far 5 91 5 - 3.4-18.8 HB2 GLU 30 - HD2 ARG 23 far 5 91 5 - 3.9-18.6 HB2 GLN 27 - HD2 ARG 23 far 4 82 5 - 3.3-16.9 HB2 GLN 27 - HD3 ARG 23 far 4 82 5 - 5.0-16.3 HB2 MET 11 - HD2 ARG 23 far 0 53 0 - 7.9-22.1 HB2 PRO 58 - HD3 ARG 23 far 0 92 0 - 8.2-31.0 HB ILE 37 - HD3 ARG 23 far 0 77 0 - 8.7-29.5 HB ILE 37 - HD2 ARG 23 far 0 77 0 - 8.8-29.9 HB2 MET 11 - HD3 ARG 23 far 0 53 0 - 9.1-23.0 HB2 PRO 58 - HD2 ARG 23 far 0 92 0 - 9.3-29.8 HB2 LYS 95 - HD3 ARG 90 far 0 93 0 - 9.3-13.1 HB2 GLU 30 - HD2 ARG 90 far 0 100 0 - 9.6-32.9 HB2 LYS 95 - HD2 ARG 90 far 0 93 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 2836 from cnoeabs.peaks (2.02, 3.17, 43.40 ppm; 3.41 A): 2 out of 27 assignments used, quality = 1.00: * HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 20 - HD3 ARG 23 far 10 69 15 - 4.3-10.0 HB2 GLU 91 - HD2 ARG 90 far 9 63 15 - 4.4-8.6 HB VAL 20 - HD2 ARG 23 far 7 69 10 - 3.2-10.4 HB3 GLU 30 - HD2 ARG 23 far 5 92 5 - 4.2-20.3 HB3 GLU 30 - HD3 ARG 23 far 5 92 5 - 4.2-20.5 HB2 GLU 91 - HD3 ARG 90 far 3 62 5 - 4.8-8.4 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 5.0-9.5 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 5.1-9.3 HB3 GLU 55 - HD2 ARG 23 far 0 73 0 - 5.9-36.7 HB3 MET 11 - HD2 ARG 23 far 0 92 0 - 6.3-21.8 HB3 MET 11 - HD3 ARG 23 far 0 92 0 - 7.5-22.3 HB3 GLU 55 - HD3 ARG 23 far 0 73 0 - 7.6-35.8 QE MET 11 - HD2 ARG 23 far 0 75 0 - 8.2-20.8 HB2 GLU 44 - HD3 ARG 23 far 0 92 0 - 8.3-32.2 HB3 GLU 30 - HD2 ARG 90 far 0 100 0 - 8.5-32.7 HG2 PRO 56 - HD2 ARG 23 far 0 81 0 - 8.7-37.8 HB2 GLU 44 - HD2 ARG 23 far 0 92 0 - 8.8-32.6 HG2 PRO 58 - HD3 ARG 23 far 0 91 0 - 9.0-30.3 HG3 PRO 56 - HD2 ARG 23 far 0 81 0 - 9.0-38.9 HG2 PRO 81 - HD2 ARG 90 far 0 73 0 - 9.3-14.0 QE MET 11 - HD3 ARG 23 far 0 75 0 - 9.4-20.6 HB3 LEU 53 - HD2 ARG 23 far 0 50 0 - 9.6-33.5 HG2 PRO 58 - HD2 ARG 23 far 0 91 0 - 9.6-30.9 HB3 GLU 30 - HD3 ARG 90 far 0 100 0 - 9.8-31.6 HG2 PRO 81 - HD3 ARG 90 far 0 73 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (1.73, 3.17, 43.40 ppm; 3.59 A): 4 out of 20 assignments used, quality = 1.00: * HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 23 + HD3 ARG 23 OK 64 65 100 100 2.0-4.1 3.7=94, 430/3.0=45...(16) HB2 ARG 23 + HD2 ARG 23 OK 64 65 100 100 2.0-4.1 3.7=94, 430/3.0=45...(16) HB2 LYS 26 - HD2 ARG 23 poor 15 75 20 - 3.8-13.2 HB2 LYS 31 - HD2 ARG 23 far 4 86 5 - 3.8-23.2 HB2 LYS 31 - HD3 ARG 23 far 4 86 5 - 4.4-22.9 HB2 LYS 26 - HD3 ARG 23 far 4 75 5 - 3.2-13.6 HB2 LYS 19 - HD3 ARG 23 far 0 75 0 - 5.2-15.1 HB2 LYS 24 - HD2 ARG 23 far 0 81 0 - 5.8-10.0 HB ILE 80 - HD2 ARG 90 far 0 100 0 - 5.9-10.0 HB2 LYS 19 - HD2 ARG 23 far 0 75 0 - 6.2-14.8 HB ILE 80 - HD3 ARG 90 far 0 99 0 - 6.4-11.6 HB2 LYS 24 - HD3 ARG 23 far 0 81 0 - 6.7-10.2 HG LEU 48 - HD2 ARG 23 far 0 73 0 - 7.7-29.6 HG13 ILE 129 - HD2 ARG 90 far 0 96 0 - 8.1-10.9 HG LEU 48 - HD3 ARG 23 far 0 73 0 - 8.3-28.9 HG13 ILE 129 - HD3 ARG 90 far 0 95 0 - 8.6-10.9 HG LEU 98 - HD2 ARG 23 far 0 65 0 - 9.1-36.3 HG LEU 98 - HD3 ARG 23 far 0 65 0 - 9.3-37.9 Violated in 0 structures by 0.00 A. Peak 2838 from cnoeabs.peaks (3.17, 3.17, 43.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 92 92 - 100 HD3 ARG 23 + HD3 ARG 23 OK 92 92 - 100 Peak 2839 from cnoeabs.peaks (3.17, 3.17, 43.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 92 92 - 100 HD3 ARG 23 + HD3 ARG 23 OK 92 92 - 100 Reference assignment not found: HD3 ARG 90 - HD2 ARG 90 Peak 2840 from cnoeabs.peaks (8.13, 3.17, 43.40 ppm; 5.67 A): 6 out of 12 assignments used, quality = 1.00: * H GLU 91 + HD2 ARG 90 OK 100 100 100 100 3.7-6.1 7233/3.8=88, 7230/5.9=61...(16) H GLU 91 + HD3 ARG 90 OK 100 100 100 100 3.7-6.1 7233/3.8=88, 7230/5.9=61...(16) H PHE 87 + HD2 ARG 90 OK 96 98 100 98 4.4-7.2 2822/3.0=32...(18) H PHE 87 + HD3 ARG 90 OK 81 98 85 98 4.0-7.6 2822/3.0=32, 2831/3.0=30...(17) H LEU 22 + HD2 ARG 23 OK 54 65 85 98 3.4-7.6 10728/4.9=78...(21) H LEU 22 + HD3 ARG 23 OK 50 65 80 97 3.8-7.6 10728/4.9=78...(18) H THR 25 - HD2 ARG 23 poor 11 67 50 34 5.0-8.9 6240/4.9=18, 6233/3.7=10 H THR 25 - HD3 ARG 23 poor 11 67 50 34 5.4-9.6 6240/4.9=18, 6233/3.7=10 H ILE 32 - HD2 ARG 23 far 8 81 10 - 6.7-21.5 H ILE 32 - HD3 ARG 23 far 4 81 5 - 5.9-21.5 H ALA 15 - HD2 ARG 23 far 0 77 0 - 7.9-21.6 H ALA 15 - HD3 ARG 23 far 0 77 0 - 8.6-22.3 Violated in 0 structures by 0.00 A. Peak 2841 from cnoeabs.peaks (8.56, 3.17, 43.40 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.7-5.7 2823/3.0=73, 7219/3.0=57...(27) H ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.0-4.8 2823/3.0=73, 7219/3.0=57...(27) Violated in 0 structures by 0.00 A. Peak 2842 from cnoeabs.peaks (3.79, 3.17, 43.40 ppm; 4.48 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.8-5.5 2787/3.0=76, 2824/3.0=75...(30) HA ARG 90 + HD2 ARG 90 OK 100 100 100 100 4.0-5.4 2787/3.0=76, 2824/3.0=75...(30) HB3 SER 9 - HD2 ARG 90 far 0 96 0 - 8.3-53.7 HB3 SER 9 - HD3 ARG 90 far 0 97 0 - 8.9-52.2 HB2 SER 9 - HD3 ARG 23 far 0 88 0 - 9.2-26.0 HB3 SER 9 - HD3 ARG 23 far 0 87 0 - 9.5-24.7 HB3 SER 9 - HD2 ARG 23 far 0 87 0 - 9.5-24.0 HB2 SER 9 - HD2 ARG 90 far 0 97 0 - 9.6-52.9 HB2 SER 9 - HD2 ARG 23 far 0 88 0 - 9.8-25.1 HA VAL 133 - HD2 ARG 90 far 0 65 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 2843 from cnoeabs.peaks (1.91, 3.17, 43.40 ppm; 3.98 A): 2 out of 12 assignments used, quality = 1.00: * HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.0-3.9 3.8=100 HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-4.0 3.8=100 HB3 LYS 36 - HD3 ARG 23 far 3 51 5 - 4.8-26.7 HB3 LYS 36 - HD2 ARG 23 far 3 51 5 - 4.9-26.7 HB2 MET 11 - HD2 ARG 23 far 0 88 0 - 7.9-22.1 HB3 LEU 48 - HD2 ARG 23 far 0 74 0 - 8.0-31.8 HB3 LEU 48 - HD3 ARG 23 far 0 74 0 - 9.1-31.0 HB2 MET 11 - HD3 ARG 23 far 0 88 0 - 9.1-23.0 HB2 LYS 95 - HD3 ARG 90 far 0 73 0 - 9.3-13.1 HB3 ARG 84 - HD3 ARG 90 far 0 98 0 - 9.7-13.5 HB2 LYS 95 - HD2 ARG 90 far 0 73 0 - 9.8-14.0 HB2 GLU 40 - HD3 ARG 23 far 0 83 0 - 10.0-36.3 Violated in 0 structures by 0.00 A. Peak 2844 from cnoeabs.peaks (1.95, 3.17, 43.40 ppm; 3.91 A): 4 out of 17 assignments used, quality = 1.00: * HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-4.0 3.8=100 HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HB3 LYS 86 + HD3 ARG 90 OK 46 100 60 77 3.6-8.8 2826/3.0=23...(12) HB3 LYS 86 + HD2 ARG 90 OK 41 100 50 82 3.2-7.4 2826/3.0=23...(14) HB2 GLU 30 - HD3 ARG 23 far 5 92 5 - 3.4-18.8 HB2 GLU 30 - HD2 ARG 23 far 5 92 5 - 3.9-18.6 HB2 GLN 27 - HD2 ARG 23 far 4 83 5 - 3.3-16.9 HB2 GLN 27 - HD3 ARG 23 far 4 83 5 - 5.0-16.3 HB2 MET 11 - HD2 ARG 23 far 0 54 0 - 7.9-22.1 HB2 PRO 58 - HD3 ARG 23 far 0 93 0 - 8.2-31.0 HB ILE 37 - HD3 ARG 23 far 0 78 0 - 8.7-29.5 HB ILE 37 - HD2 ARG 23 far 0 78 0 - 8.8-29.9 HB2 MET 11 - HD3 ARG 23 far 0 54 0 - 9.1-23.0 HB2 PRO 58 - HD2 ARG 23 far 0 93 0 - 9.3-29.8 HB2 LYS 95 - HD3 ARG 90 far 0 93 0 - 9.3-13.1 HB2 GLU 30 - HD2 ARG 90 far 0 99 0 - 9.6-32.9 HB2 LYS 95 - HD2 ARG 90 far 0 93 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 2845 from cnoeabs.peaks (2.02, 3.17, 43.40 ppm; 3.41 A): 2 out of 27 assignments used, quality = 1.00: * HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 20 - HD3 ARG 23 far 11 70 15 - 4.3-10.0 HB2 GLU 91 - HD2 ARG 90 far 9 62 15 - 4.4-8.6 HB VAL 20 - HD2 ARG 23 far 7 70 10 - 3.2-10.4 HB3 GLU 30 - HD2 ARG 23 far 5 93 5 - 4.2-20.3 HB3 GLU 30 - HD3 ARG 23 far 5 93 5 - 4.2-20.5 HB2 GLU 91 - HD3 ARG 90 far 3 63 5 - 4.8-8.4 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 5.0-9.5 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 5.1-9.3 HB3 GLU 55 - HD2 ARG 23 far 0 74 0 - 5.9-36.7 HB3 MET 11 - HD2 ARG 23 far 0 93 0 - 6.3-21.8 HB3 MET 11 - HD3 ARG 23 far 0 93 0 - 7.5-22.3 HB3 GLU 55 - HD3 ARG 23 far 0 74 0 - 7.6-35.8 QE MET 11 - HD2 ARG 23 far 0 76 0 - 8.2-20.8 HB2 GLU 44 - HD3 ARG 23 far 0 93 0 - 8.3-32.2 HB3 GLU 30 - HD2 ARG 90 far 0 100 0 - 8.5-32.7 HG2 PRO 56 - HD2 ARG 23 far 0 82 0 - 8.7-37.8 HB2 GLU 44 - HD2 ARG 23 far 0 93 0 - 8.8-32.6 HG2 PRO 58 - HD3 ARG 23 far 0 92 0 - 9.0-30.3 HG3 PRO 56 - HD2 ARG 23 far 0 82 0 - 9.0-38.9 HG2 PRO 81 - HD2 ARG 90 far 0 73 0 - 9.3-14.0 QE MET 11 - HD3 ARG 23 far 0 76 0 - 9.4-20.6 HB3 LEU 53 - HD2 ARG 23 far 0 51 0 - 9.6-33.5 HG2 PRO 58 - HD2 ARG 23 far 0 92 0 - 9.6-30.9 HB3 GLU 30 - HD3 ARG 90 far 0 100 0 - 9.8-31.6 HG2 PRO 81 - HD3 ARG 90 far 0 73 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 2846 from cnoeabs.peaks (1.73, 3.17, 43.40 ppm; 3.59 A): 4 out of 20 assignments used, quality = 1.00: * HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 23 + HD2 ARG 23 OK 65 66 100 100 2.0-4.1 3.7=95, 430/3.0=45...(16) HB2 ARG 23 + HD3 ARG 23 OK 65 66 100 100 2.0-4.1 3.7=95, 430/3.0=45...(16) HB2 LYS 26 - HD2 ARG 23 poor 15 76 20 - 3.8-13.2 HB2 LYS 31 - HD2 ARG 23 far 4 87 5 - 3.8-23.2 HB2 LYS 31 - HD3 ARG 23 far 4 87 5 - 4.4-22.9 HB2 LYS 26 - HD3 ARG 23 far 4 76 5 - 3.2-13.6 HB2 LYS 19 - HD3 ARG 23 far 0 76 0 - 5.2-15.1 HB2 LYS 24 - HD2 ARG 23 far 0 82 0 - 5.8-10.0 HB ILE 80 - HD2 ARG 90 far 0 99 0 - 5.9-10.0 HB2 LYS 19 - HD2 ARG 23 far 0 76 0 - 6.2-14.8 HB ILE 80 - HD3 ARG 90 far 0 100 0 - 6.4-11.6 HB2 LYS 24 - HD3 ARG 23 far 0 82 0 - 6.7-10.2 HG LEU 48 - HD2 ARG 23 far 0 74 0 - 7.7-29.6 HG13 ILE 129 - HD2 ARG 90 far 0 95 0 - 8.1-10.9 HG LEU 48 - HD3 ARG 23 far 0 74 0 - 8.3-28.9 HG13 ILE 129 - HD3 ARG 90 far 0 96 0 - 8.6-10.9 HG LEU 98 - HD2 ARG 23 far 0 66 0 - 9.1-36.3 HG LEU 98 - HD3 ARG 23 far 0 66 0 - 9.3-37.9 Violated in 0 structures by 0.00 A. Peak 2847 from cnoeabs.peaks (3.17, 3.17, 43.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 93 93 - 100 HD3 ARG 23 + HD3 ARG 23 OK 93 93 - 100 Reference assignment not found: HD2 ARG 90 - HD3 ARG 90 Peak 2848 from cnoeabs.peaks (3.17, 3.17, 43.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 93 93 - 100 HD3 ARG 23 + HD3 ARG 23 OK 93 93 - 100 Peak 2849 from cnoeabs.peaks (8.13, 3.17, 43.40 ppm; 5.67 A): 6 out of 12 assignments used, quality = 1.00: * H GLU 91 + HD3 ARG 90 OK 100 100 100 100 3.7-6.1 7233/3.8=88, 7230/5.9=61...(16) H GLU 91 + HD2 ARG 90 OK 100 100 100 100 3.7-6.1 7233/3.8=88, 7230/5.9=61...(16) H PHE 87 + HD2 ARG 90 OK 96 98 100 98 4.4-7.2 2822/3.0=32, 2831/3.0=30...(18) H PHE 87 + HD3 ARG 90 OK 81 98 85 98 4.0-7.6 2822/3.0=32, 2831/3.0=30...(17) H LEU 22 + HD2 ARG 23 OK 54 66 85 98 3.4-7.6 10728/4.9=78...(21) H LEU 22 + HD3 ARG 23 OK 51 66 80 97 3.8-7.6 10728/4.9=78...(18) H THR 25 - HD2 ARG 23 poor 12 68 50 34 5.0-8.9 6240/4.9=18, 6233/3.7=10 H THR 25 - HD3 ARG 23 poor 12 68 50 34 5.4-9.6 6240/4.9=18, 6233/3.7=10 H ILE 32 - HD2 ARG 23 far 8 82 10 - 6.7-21.5 H ILE 32 - HD3 ARG 23 far 4 82 5 - 5.9-21.5 H ALA 15 - HD2 ARG 23 far 0 78 0 - 7.9-21.6 H ALA 15 - HD3 ARG 23 far 0 78 0 - 8.6-22.3 Violated in 0 structures by 0.00 A. Peak 2850 from cnoeabs.peaks (8.13, 3.98, 58.93 ppm; 3.85 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 91 + HA GLU 91 OK 100 100 100 100 2.7-2.8 2.9=100 H ASP 71 + HA GLN 68 OK 73 73 100 99 3.5-4.0 6956=63, 3.4/6938=42...(20) H ILE 32 - HA GLN 68 far 0 69 0 - 5.5-10.9 H VAL 133 - HA GLN 127 far 0 56 0 - 7.9-8.5 H PHE 87 - HA GLU 91 far 0 98 0 - 8.2-8.9 H THR 25 - HA GLN 68 far 0 57 0 - 8.7-19.4 H LEU 22 - HA GLN 68 far 0 55 0 - 8.8-24.7 Violated in 0 structures by 0.00 A. Peak 2851 from cnoeabs.peaks (3.98, 3.98, 58.93 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 91 + HA GLU 91 OK 100 100 - 100 HA GLN 68 + HA GLN 68 OK 72 72 - 100 HA GLN 127 + HA GLN 127 OK 70 70 - 100 Peak 2852 from cnoeabs.peaks (1.99, 3.98, 58.93 ppm; 3.79 A): 3 out of 11 assignments used, quality = 1.00: * HB2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.7-3.0 3.0=100 HB ILE 129 + HA GLN 127 OK 61 73 100 84 4.7-5.1 11618/10394=43...(9) HG2 ARG 90 + HA GLU 91 OK 26 63 50 83 3.2-6.4 ~7233=25, 2787/4.8=22...(18) HB ILE 37 - HA GLN 68 far 2 46 5 - 4.5-12.6 HB3 GLU 30 - HA GLN 68 far 0 50 0 - 6.5-15.5 HB3 LEU 53 - HA GLN 127 far 0 76 0 - 6.6-10.7 HB VAL 63 - HA GLN 68 far 0 46 0 - 9.4-10.6 HB VAL 20 - HA GLN 68 far 0 79 0 - 9.4-26.6 HB ILE 129 - HA GLU 91 far 0 99 0 - 9.6-10.4 HB2 GLU 44 - HA GLN 127 far 0 39 0 - 9.9-11.9 HB2 GLN 134 - HA GLN 127 far 0 44 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 2853 from cnoeabs.peaks (2.03, 3.98, 58.93 ppm; 3.62 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLU 91 + HA GLU 91 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLN 127 + HA GLN 127 OK 48 48 100 100 2.4-3.0 3.0=100 HG2 ARG 90 + HA GLU 91 OK 38 97 45 86 3.2-6.4 2787/4.8=30, 2822/2.9=28...(18) HB3 GLU 30 - HA GLN 68 far 0 72 0 - 6.5-15.5 HB3 GLN 27 - HA GLN 68 far 0 44 0 - 8.1-18.1 HB VAL 63 - HA GLN 68 far 0 75 0 - 9.4-10.6 HB2 GLU 44 - HA GLN 127 far 0 72 0 - 9.9-11.9 HB2 GLN 134 - HA GLN 127 far 0 68 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 2854 from cnoeabs.peaks (2.23, 3.98, 58.93 ppm; 3.86 A): 4 out of 14 assignments used, quality = 1.00: * HG2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.0-3.4 3.9=100 HG2 GLN 68 + HA GLN 68 OK 80 80 100 100 2.0-3.9 3.7=100 HB2 GLN 68 + HA GLN 68 OK 78 78 100 100 2.4-3.0 3.0=100 HB3 GLN 127 + HA GLN 127 OK 76 76 100 100 2.3-3.0 3.0=100 HB3 GLU 128 - HA GLN 127 far 0 76 0 - 5.5-6.5 HB3 LEU 96 - HA GLN 127 far 0 72 0 - 7.1-9.5 HB3 LEU 96 - HA GLU 91 far 0 98 0 - 7.4-10.3 HB3 GLU 128 - HA GLU 91 far 0 100 0 - 8.0-12.2 HB3 GLN 104 - HA GLN 68 far 0 80 0 - 8.2-13.4 HB3 LEU 96 - HA GLN 68 far 0 77 0 - 9.3-12.4 HG2 GLN 68 - HA GLN 127 far 0 75 0 - 9.3-14.9 HB2 GLN 101 - HA GLN 68 far 0 59 0 - 9.3-12.7 HB3 GLU 97 - HA GLU 91 far 0 97 0 - 9.7-11.9 HB3 GLU 97 - HA GLN 68 far 0 75 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2855 from cnoeabs.peaks (2.11, 3.98, 58.93 ppm; 3.83 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 91 + HA GLU 91 OK 100 100 100 100 3.2-4.0 2884=100, 1.8/2877=68...(15) HB VAL 126 + HA GLN 127 OK 33 75 45 99 4.1-5.6 2.1/10394=78...(16) HB2 GLU 128 - HA GLN 127 far 0 41 0 - 5.5-6.5 HG3 GLN 134 - HA GLN 127 far 0 42 0 - 7.4-9.4 HB2 GLU 128 - HA GLU 91 far 0 63 0 - 8.2-11.2 HB VAL 126 - HA GLN 68 far 0 80 0 - 8.3-11.3 HB2 GLU 97 - HA GLU 91 far 0 60 0 - 8.5-10.2 HB2 GLU 97 - HA GLN 68 far 0 42 0 - 9.8-12.2 Violated in 6 structures by 0.01 A. Peak 2856 from cnoeabs.peaks (7.82, 3.98, 58.93 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 92 + HA GLU 91 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 92 - HA GLN 127 far 0 76 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 2857 from cnoeabs.peaks (7.99, 3.98, 58.93 ppm; 4.25 A): 2 out of 7 assignments used, quality = 0.99: * H SER 94 + HA GLU 91 OK 97 100 100 97 3.4-3.8 7259/3.6=54, 7275/4.8=39...(11) H ILE 129 + HA GLN 127 OK 69 70 100 99 4.0-4.4 7855/3.6=58, 7820/2.9=54...(17) H ILE 37 - HA GLN 68 far 5 50 10 - 5.2-10.7 H LYS 36 - HA GLN 68 far 0 80 0 - 6.1-12.2 H SER 38 - HA GLN 68 far 0 76 0 - 6.5-12.8 H SER 51 - HA GLN 127 far 0 73 0 - 6.6-9.5 H ILE 129 - HA GLU 91 far 0 97 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 2858 from cnoeabs.peaks (3.90, 3.98, 58.93 ppm; 4.35 A): 3 out of 11 assignments used, quality = 0.92: * HB2 SER 94 + HA GLU 91 OK 80 100 100 80 3.1-4.5 2938=36, 3.6/2857=33...(7) HB3 SER 50 + HA GLN 127 OK 37 66 75 76 4.0-6.7 1.8/4175=23, ~10503=14...(13) HA ALA 46 + HA GLN 127 OK 36 73 100 48 3.1-5.4 9173/10394=30...(5) HB2 SER 33 - HA GLN 68 far 4 77 5 - 5.7-12.9 HB2 SER 107 - HA GLN 68 far 3 61 5 - 5.6-17.1 HA LEU 70 - HA GLN 68 far 0 59 0 - 6.4-7.0 HA2 GLY 2 - HA GLN 127 far 0 72 0 - 7.7-72.3 HA LEU 70 - HA GLN 127 far 0 54 0 - 7.8-11.3 HA ALA 46 - HA GLN 68 far 0 79 0 - 8.1-11.2 HA LYS 86 - HA GLU 91 far 0 92 0 - 8.5-9.3 HA3 GLY 2 - HA GLN 127 far 0 72 0 - 9.2-72.7 Violated in 0 structures by 0.00 A. Peak 2859 from cnoeabs.peaks (3.97, 3.98, 58.93 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA GLU 91 + HA GLU 91 OK 99 99 - 100 HA GLN 127 + HA GLN 127 OK 75 75 - 100 HA GLN 68 + HA GLN 68 OK 59 59 - 100 Reference assignment not found: HB3 SER 94 - HA GLU 91 Peak 2860 from cnoeabs.peaks (4.20, 1.99, 28.84 ppm; 4.84 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 88 + HB2 GLU 91 OK 100 100 100 100 2.4-2.8 2868/1.8=97, 2748=86...(21) HB THR 18 - HB3 PRO 56 far 0 52 0 - 7.8-44.1 HA SER 94 - HB2 GLU 91 far 0 60 0 - 7.8-8.6 HA LEU 53 - HB3 PRO 56 far 0 33 0 - 8.3-10.1 HA GLU 128 - HB2 GLU 91 far 0 99 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 2861 from cnoeabs.peaks (8.13, 1.99, 28.84 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.1-2.6 4.0=84, 2869/1.8=72...(28) H ALA 15 - HB3 PRO 56 far 4 44 10 - 3.7-44.8 H PHE 87 - HB2 GLU 91 far 0 98 0 - 6.4-7.6 Violated in 0 structures by 0.00 A. Peak 2862 from cnoeabs.peaks (3.98, 1.99, 28.84 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.7-3.0 3.0=100 HA3 GLY 17 - HB3 PRO 56 far 2 42 5 - 4.8-42.9 HB3 SER 94 - HB2 GLU 91 far 0 99 0 - 5.4-6.9 HA2 GLY 17 - HB3 PRO 56 far 0 42 0 - 6.6-44.3 Violated in 0 structures by 0.00 A. Peak 2863 from cnoeabs.peaks (1.99, 1.99, 28.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 91 + HB2 GLU 91 OK 100 100 - 100 HB3 PRO 56 + HB3 PRO 56 OK 55 55 - 100 Peak 2864 from cnoeabs.peaks (2.03, 1.99, 28.84 ppm; 2.89 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 56 + HB3 PRO 56 OK 33 33 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HB3 PRO 56 OK 33 33 100 100 2.7-2.7 2.3=100 HG2 ARG 90 - HB2 GLU 91 poor 17 97 35 49 3.5-6.3 2822/2861=14, 2853/3.0=7...(13) HG3 PRO 113 - HB3 PRO 56 far 1 29 5 - 3.7-15.7 HB3 GLU 55 - HB3 PRO 56 far 0 53 0 - 5.1-7.3 HG2 PRO 58 - HB3 PRO 56 far 0 55 0 - 7.2-8.8 HB2 LEU 62 - HB3 PRO 56 far 0 34 0 - 8.2-11.0 QE MET 11 - HB3 PRO 56 far 0 53 0 - 9.3-40.8 Violated in 0 structures by 0.00 A. Peak 2865 from cnoeabs.peaks (2.23, 1.99, 28.84 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 GLU 128 - HB2 GLU 91 far 0 100 0 - 6.0-11.3 HB3 LEU 96 - HB2 GLU 91 far 0 98 0 - 8.0-11.8 Violated in 0 structures by 0.00 A. Peak 2866 from cnoeabs.peaks (2.11, 1.99, 28.84 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.2-2.3 3.0=100 HB2 PRO 56 + HB3 PRO 56 OK 30 30 100 100 1.8-1.8 1.8=100 HB2 GLU 128 - HB2 GLU 91 far 0 63 0 - 6.2-10.0 HB VAL 112 - HB3 PRO 56 far 0 53 0 - 6.3-16.3 HB VAL 57 - HB3 PRO 56 far 0 42 0 - 6.5-6.6 HB3 GLN 61 - HB3 PRO 56 far 0 53 0 - 8.8-11.6 HB2 GLN 61 - HB3 PRO 56 far 0 51 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 2867 from cnoeabs.peaks (7.82, 1.99, 28.84 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HB2 GLU 91 OK 100 100 100 100 2.3-3.4 7252=100, 2875/1.8=74...(25) Violated in 0 structures by 0.00 A. Peak 2868 from cnoeabs.peaks (4.20, 2.03, 28.84 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + HB3 GLU 91 OK 100 100 100 100 3.4-4.4 2860/1.8=97...(16) HA SER 94 - HB3 GLU 91 far 0 60 0 - 7.4-8.3 HA GLU 128 - HB3 GLU 91 far 0 99 0 - 9.3-14.0 Violated in 0 structures by 0.00 A. Peak 2869 from cnoeabs.peaks (8.13, 2.03, 28.84 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 91 + HB3 GLU 91 OK 100 100 100 100 3.0-3.6 4.0=90, 2861/1.8=77...(20) H PHE 87 - HB3 GLU 91 far 0 98 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (3.98, 2.03, 28.84 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 SER 94 + HB3 GLU 91 OK 52 99 75 70 4.6-6.1 ~2858=17, 2877/3.0=15...(11) Violated in 0 structures by 0.00 A. Peak 2871 from cnoeabs.peaks (1.99, 2.03, 28.84 ppm; 2.90 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HB3 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 90 - HB3 GLU 91 poor 16 63 25 - 3.7-7.3 HB ILE 129 - HB3 GLU 91 far 0 99 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 2872 from cnoeabs.peaks (2.03, 2.03, 28.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 91 + HB3 GLU 91 OK 100 100 - 100 Peak 2873 from cnoeabs.peaks (2.23, 2.03, 28.84 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.5-2.9 3.0=100 HB3 GLU 128 - HB3 GLU 91 far 0 100 0 - 6.8-12.5 HB3 LEU 96 - HB3 GLU 91 far 0 98 0 - 7.7-12.0 Violated in 0 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (2.11, 2.03, 28.84 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 GLU 128 - HB3 GLU 91 far 0 63 0 - 6.4-11.3 Violated in 0 structures by 0.00 A. Peak 2875 from cnoeabs.peaks (7.82, 2.03, 28.84 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HB3 GLU 91 OK 100 100 100 100 2.5-4.1 7252/1.8=89, 7253=81...(21) Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (8.13, 2.23, 35.02 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.4-4.3 7241=100, 7242/1.8=72...(16) H PHE 87 - HG2 GLU 91 far 0 98 0 - 6.7-10.0 Violated in 16 structures by 0.29 A. Peak 2877 from cnoeabs.peaks (3.98, 2.23, 35.02 ppm; 3.70 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.0-3.4 3.9=88, 2884/1.8=77...(18) HB3 SER 94 + HG2 GLU 91 OK 34 99 70 49 4.3-5.5 3.6/9226=18, 2870/3.0=18...(5) HB2 SER 124 - HG2 GLU 91 far 0 92 0 - 8.3-16.0 Violated in 0 structures by 0.00 A. Peak 2878 from cnoeabs.peaks (1.99, 2.23, 35.02 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 ARG 90 - HG2 GLU 91 far 6 63 10 - 2.7-8.4 HB ILE 129 - HG2 GLU 91 far 0 99 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (2.03, 2.23, 35.02 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.5-2.9 3.0=100 HG2 ARG 90 - HG2 GLU 91 far 10 97 10 - 2.7-8.4 Violated in 0 structures by 0.00 A. Peak 2880 from cnoeabs.peaks (2.23, 2.23, 35.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HG2 GLU 91 OK 100 100 - 100 Peak 2881 from cnoeabs.peaks (2.11, 2.23, 35.02 ppm; 2.56 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 128 - HG2 GLU 91 far 0 63 0 - 6.3-11.3 HB2 GLU 97 - HG2 GLU 91 far 0 60 0 - 9.6-12.0 HB VAL 126 - HG2 GLU 91 far 0 100 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 2882 from cnoeabs.peaks (7.82, 2.23, 35.02 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HG2 GLU 91 OK 100 100 100 100 2.5-4.7 7254=100, 7252/3.0=76...(24) Violated in 5 structures by 0.03 A. Peak 2883 from cnoeabs.peaks (8.13, 2.11, 35.02 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.7-4.0 7242=100, 7241/1.8=80...(19) H PHE 87 - HG3 GLU 91 far 0 98 0 - 6.1-8.9 H VAL 133 - HG3 GLU 91 far 0 83 0 - 9.7-12.9 Violated in 5 structures by 0.02 A. Peak 2884 from cnoeabs.peaks (3.98, 2.11, 35.02 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 91 + HG3 GLU 91 OK 100 100 100 100 3.2-4.0 3.9=88, 2877/1.8=64...(16) HB3 SER 94 - HG3 GLU 91 far 0 99 0 - 5.8-7.0 HB2 SER 124 - HG3 GLU 91 far 0 92 0 - 8.3-15.6 Violated in 16 structures by 0.17 A. Peak 2885 from cnoeabs.peaks (1.99, 2.11, 35.02 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.2-2.3 3.0=100 HG2 ARG 90 - HG3 GLU 91 far 6 63 10 - 3.9-7.9 HB ILE 129 - HG3 GLU 91 far 0 99 0 - 8.0-11.8 Violated in 0 structures by 0.00 A. Peak 2886 from cnoeabs.peaks (2.03, 2.11, 35.02 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 ARG 90 + HG3 GLU 91 OK 33 97 45 74 3.9-7.9 2822/7242=33...(11) Violated in 0 structures by 0.00 A. Peak 2887 from cnoeabs.peaks (2.23, 2.11, 35.02 ppm; 2.62 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 91 + HG3 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 128 - HG3 GLU 91 far 0 100 0 - 6.1-11.0 HB3 LEU 96 - HG3 GLU 91 far 0 98 0 - 7.5-12.6 Violated in 0 structures by 0.00 A. Peak 2888 from cnoeabs.peaks (2.11, 2.11, 35.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 91 + HG3 GLU 91 OK 100 100 - 100 Peak 2889 from cnoeabs.peaks (7.82, 2.11, 35.02 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HG3 GLU 91 OK 100 100 100 100 2.0-4.9 7254/1.8=90, 7252/3.0=83...(25) Violated in 1 structures by 0.01 A. Peak 2890 from cnoeabs.peaks (7.82, 4.05, 55.00 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HA ALA 92 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2891 from cnoeabs.peaks (4.05, 4.05, 55.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 92 + HA ALA 92 OK 100 100 - 100 Peak 2892 from cnoeabs.peaks (1.43, 4.05, 55.00 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 92 + HA ALA 92 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2893 from cnoeabs.peaks (8.43, 4.05, 55.00 ppm; 5.35 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 93 + HA ALA 92 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 74 - HA ALA 92 far 0 63 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 2894 from cnoeabs.peaks (7.71, 4.05, 55.00 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 95 + HA ALA 92 OK 100 100 100 100 3.2-3.8 7273/3.6=45, 7291=39...(27) Violated in 0 structures by 0.00 A. Peak 2895 from cnoeabs.peaks (1.94, 4.05, 55.00 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 95 + HA ALA 92 OK 99 100 100 99 2.5-4.4 4.0/2894=53, 9948/2.1=52...(23) HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 3.8-5.2 4.0/2894=53, ~9948=52...(20) HB2 ARG 90 - HA ALA 92 far 0 73 0 - 7.4-8.5 HB3 ARG 90 - HA ALA 92 far 0 93 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 2896 from cnoeabs.peaks (1.94, 4.05, 55.00 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 95 + HA ALA 92 OK 99 100 100 99 2.5-4.4 9948/2.1=57, 4.0/2894=53...(24) * HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 3.8-5.2 4.0/2894=53, ~9948=52...(20) HB2 ARG 90 - HA ALA 92 far 0 65 0 - 7.4-8.5 HB3 ARG 90 - HA ALA 92 far 0 97 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 2897 from cnoeabs.peaks (4.08, 1.43, 18.02 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.99: * HA PHE 89 + QB ALA 92 OK 99 100 100 99 2.8-3.4 2764=66, 7247/7257=54...(19) HB2 SER 74 - QB ALA 92 far 0 87 0 - 7.6-9.3 HB3 SER 74 - QB ALA 92 far 0 89 0 - 7.8-9.8 HA LEU 98 - QB ALA 92 far 0 83 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 2898 from cnoeabs.peaks (7.82, 1.43, 18.02 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + QB ALA 92 OK 100 100 100 100 2.0-2.2 3.0=100 Violated in 0 structures by 0.00 A. Peak 2899 from cnoeabs.peaks (4.05, 1.43, 18.02 ppm; 3.14 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 92 + QB ALA 92 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 96 - QB ALA 92 far 0 99 0 - 4.7-6.4 HA LEU 122 - QB ALA 92 far 0 100 0 - 5.2-7.8 HA LYS 95 - QB ALA 92 far 0 63 0 - 6.0-6.9 HB3 SER 124 - QB ALA 92 far 0 87 0 - 6.6-8.8 HB2 SER 74 - QB ALA 92 far 0 83 0 - 7.6-9.3 HB3 SER 74 - QB ALA 92 far 0 81 0 - 7.8-9.8 HD3 PRO 81 - QB ALA 92 far 0 97 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 2900 from cnoeabs.peaks (1.43, 1.43, 18.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 92 + QB ALA 92 OK 100 100 - 100 Peak 2901 from cnoeabs.peaks (8.43, 1.43, 18.02 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 93 + QB ALA 92 OK 100 100 100 100 2.5-2.9 3.7=100 H SER 74 - QB ALA 92 far 0 63 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 2902 from cnoeabs.peaks (8.43, 3.25, 66.81 ppm; 5.68 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 93 + HA VAL 93 OK 100 100 100 100 2.8-2.9 2.9=100 H SER 74 + HA VAL 93 OK 60 63 100 96 5.0-6.1 2924/3.2=39...(17) Violated in 0 structures by 0.00 A. Peak 2903 from cnoeabs.peaks (3.25, 3.25, 66.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + HA VAL 93 OK 100 100 - 100 Peak 2904 from cnoeabs.peaks (1.83, 3.25, 66.81 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HB VAL 93 + HA VAL 93 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 100 + HA VAL 93 OK 68 99 90 76 6.9-8.7 3232/7333=31...(9) Violated in 0 structures by 0.00 A. Peak 2905 from cnoeabs.peaks (0.29, 3.25, 66.81 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 93 + HA VAL 93 OK 100 100 100 100 2.1-3.1 3.2=100 QD1 ILE 80 - HA VAL 93 far 0 83 0 - 7.3-10.3 Violated in 0 structures by 0.00 A. Peak 2906 from cnoeabs.peaks (0.75, 3.25, 66.81 ppm; 3.95 A): 4 out of 7 assignments used, quality = 1.00: * QG1 VAL 93 + HA VAL 93 OK 100 100 100 100 2.2-2.7 3.2=100 HG12 ILE 129 + HA VAL 93 OK 100 100 100 100 3.3-5.3 2.1/10461=75, ~10487=35...(41) QD2 LEU 96 + HA VAL 93 OK 100 100 100 100 1.5-2.9 11806=76, 5.1/7311=33...(53) QD1 LEU 96 + HA VAL 93 OK 78 78 100 100 1.8-4.0 2.1/11806=62...(53) QD1 ILE 32 - HA VAL 93 far 0 65 0 - 7.3-14.9 QD1 ILE 37 - HA VAL 93 far 0 60 0 - 9.1-12.2 QD2 LEU 43 - HA VAL 93 far 0 100 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 2907 from cnoeabs.peaks (7.99, 3.25, 66.81 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + HA VAL 93 OK 100 100 100 100 3.5-3.6 3.6=100 H ILE 129 + HA VAL 93 OK 97 97 100 100 5.8-7.2 7873/10461=93...(13) Violated in 0 structures by 0.00 A. Peak 2908 from cnoeabs.peaks (8.27, 3.25, 66.81 ppm; 5.79 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 96 + HA VAL 93 OK 100 100 100 100 2.9-3.6 7311=100, 11425/2919=87...(33) H VAL 126 + HA VAL 93 OK 87 90 100 96 5.5-6.9 10400/10461=55...(15) H SER 99 - HA VAL 93 far 0 89 0 - 7.4-8.5 H ALA 29 - HA VAL 93 far 0 68 0 - 7.7-20.9 H ASP 131 - HA VAL 93 far 0 100 0 - 9.2-10.8 H LEU 123 - HA VAL 93 far 0 92 0 - 9.2-11.0 H GLU 30 - HA VAL 93 far 0 96 0 - 9.4-21.4 H LEU 69 - HA VAL 93 far 0 73 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 2909 from cnoeabs.peaks (1.38, 3.25, 66.81 ppm; 4.96 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 96 + HA VAL 93 OK 100 100 100 100 2.1-4.3 3.2/11806=74...(47) HG LEU 96 + HA VAL 93 OK 89 89 100 100 1.7-4.7 2.1/11806=87...(40) HG2 LYS 95 - HA VAL 93 poor 20 99 20 - 4.4-8.3 HG3 LYS 95 - HA VAL 93 far 5 100 5 - 5.1-8.4 QB ALA 29 - HA VAL 93 far 0 100 0 - 7.1-15.8 HB3 LEU 100 - HA VAL 93 far 0 100 0 - 7.6-10.3 QB ALA 28 - HA VAL 93 far 0 100 0 - 8.7-19.9 Violated in 0 structures by 0.00 A. Peak 2910 from cnoeabs.peaks (2.23, 3.25, 66.81 ppm; 6.12 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 96 + HA VAL 93 OK 100 100 100 100 1.9-4.5 3.2/11806=93...(48) HB3 GLU 97 + HA VAL 93 OK 79 83 95 100 6.2-8.2 ~9972=62, ~9972=58...(25) HG2 GLU 91 + HA VAL 93 OK 72 98 75 98 6.8-8.6 7254/9930=64...(10) HB3 GLU 128 - HA VAL 93 far 10 97 10 - 7.1-9.0 HB2 GLN 101 - HA VAL 93 far 0 57 0 - 8.3-10.6 HB3 GLN 127 - HA VAL 93 far 0 97 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 2911 from cnoeabs.peaks (3.79, 1.83, 31.34 ppm; 4.63 A): 2 out of 7 assignments used, quality = 1.00: * HA ARG 90 + HB VAL 93 OK 100 100 100 100 2.1-4.2 2793=100, 9953/2.1=92...(15) HA VAL 133 + HB3 ARG 135 OK 20 35 65 88 4.4-6.7 10625/7982=55...(12) HA SER 130 - HB3 ARG 135 far 0 58 0 - 8.5-10.4 HA SER 130 - HB VAL 93 far 0 96 0 - 9.3-11.2 HB3 SER 130 - HB3 ARG 135 far 0 47 0 - 9.5-11.5 HB2 SER 130 - HB VAL 93 far 0 63 0 - 9.5-11.8 HB3 SER 9 - HB VAL 93 far 0 97 0 - 9.9-47.9 Violated in 0 structures by 0.00 A. Peak 2912 from cnoeabs.peaks (8.43, 1.83, 31.34 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 93 + HB VAL 93 OK 100 100 100 100 2.2-3.5 4.0=100 H SER 74 + HB VAL 93 OK 24 63 45 84 3.3-6.4 2918/2.1=35, 2924/2.1=33...(13) Violated in 0 structures by 0.00 A. Peak 2913 from cnoeabs.peaks (3.25, 1.83, 31.34 ppm; 6.56 A): 2 out of 7 assignments used, quality = 1.00: * HA VAL 93 + HB VAL 93 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 135 + HB3 ARG 135 OK 51 51 100 100 2.0-4.1 3.7=100 HB3 HIS 4 - HB3 ARG 135 far 5 48 10 - 4.8-76.0 HB2 HIS 5 - HB3 ARG 135 far 2 48 5 - 8.0-70.3 HB2 PHE 87 - HB3 ARG 135 far 0 45 0 - 9.4-13.6 HB3 PHE 87 - HB3 ARG 135 far 0 51 0 - 9.6-13.0 HB2 PHE 87 - HB VAL 93 far 0 81 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 2914 from cnoeabs.peaks (1.83, 1.83, 31.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 93 + HB VAL 93 OK 100 100 - 100 HB3 ARG 135 + HB3 ARG 135 OK 60 60 - 100 Peak 2915 from cnoeabs.peaks (0.29, 1.83, 31.34 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 93 + HB VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 80 - HB3 ARG 135 far 7 47 15 - 4.8-10.0 QD1 ILE 80 - HB VAL 93 far 0 83 0 - 5.7-8.3 Violated in 0 structures by 0.00 A. Peak 2916 from cnoeabs.peaks (0.75, 1.83, 31.34 ppm; 3.85 A): 3 out of 8 assignments used, quality = 1.00: * QG1 VAL 93 + HB VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 96 + HB VAL 93 OK 100 100 100 100 2.4-4.3 11806/3.0=50...(44) QD1 LEU 96 + HB VAL 93 OK 74 78 95 100 3.8-6.3 ~11806=30, ~11691=28...(47) HG12 ILE 129 - HB VAL 93 poor 20 100 20 100 3.9-6.6 ~10487=48, ~10487=46...(37) QD2 LEU 43 - HB3 ARG 135 far 0 63 0 - 6.2-9.0 QD1 ILE 32 - HB VAL 93 far 0 65 0 - 6.5-16.5 QD1 ILE 37 - HB VAL 93 far 0 60 0 - 9.1-13.7 QD2 LEU 43 - HB VAL 93 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2917 from cnoeabs.peaks (7.99, 1.83, 31.34 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + HB VAL 93 OK 100 100 100 100 2.4-4.1 7281=100, 7282/2.1=88...(25) H ILE 129 - HB VAL 93 far 0 97 0 - 7.5-9.4 Violated in 0 structures by 0.00 A. Peak 2918 from cnoeabs.peaks (8.43, 0.29, 23.10 ppm; 3.45 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.9 7270=100, 7269/2.1=63...(20) H SER 74 + QG2 VAL 93 OK 60 63 100 95 3.2-3.9 3.6/9955=36, 4.4/9959=27...(21) H ALA 34 - QG2 VAL 93 far 0 100 0 - 7.6-15.9 H ASP 47 - QG2 VAL 93 far 0 76 0 - 9.1-13.3 Violated in 0 structures by 0.00 A. Peak 2919 from cnoeabs.peaks (3.25, 0.29, 23.10 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-3.1 3.2=100 HB2 PHE 87 - QG2 VAL 93 far 0 81 0 - 8.6-9.7 HB3 PHE 87 - QG2 VAL 93 far 0 89 0 - 8.8-9.8 HD3 ARG 135 - QG2 VAL 93 far 0 89 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 2920 from cnoeabs.peaks (1.83, 0.29, 23.10 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 100 - QG2 VAL 93 far 0 99 0 - 7.5-9.4 HB2 CYS 79 - QG2 VAL 93 far 0 97 0 - 7.9-10.2 HB ILE 32 - QG2 VAL 93 far 0 97 0 - 8.0-15.2 Violated in 0 structures by 0.00 A. Peak 2921 from cnoeabs.peaks (0.29, 0.29, 23.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 93 + QG2 VAL 93 OK 100 100 - 100 Peak 2922 from cnoeabs.peaks (0.75, 0.29, 23.10 ppm; 2.88 A): 4 out of 7 assignments used, quality = 1.00: * QG1 VAL 93 + QG2 VAL 93 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 96 + QG2 VAL 93 OK 98 100 100 98 2.1-3.6 11806/3.2=25...(64) HG12 ILE 129 + QG2 VAL 93 OK 93 100 95 97 1.9-6.1 2.1/10487=50...(36) QD1 LEU 96 + QG2 VAL 93 OK 72 78 95 97 1.8-4.6 3.2/9971=17...(62) QD1 ILE 32 - QG2 VAL 93 far 0 65 0 - 5.3-12.8 QD1 ILE 37 - QG2 VAL 93 far 0 60 0 - 6.1-10.3 QD2 LEU 43 - QG2 VAL 93 far 0 100 0 - 6.6-9.6 Violated in 0 structures by 0.00 A. Peak 2923 from cnoeabs.peaks (7.99, 0.29, 23.10 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + QG2 VAL 93 OK 100 100 100 100 2.1-4.2 7282=100, 7281/2.1=87...(34) H ILE 129 + QG2 VAL 93 OK 81 97 85 98 4.9-8.0 7873/10487=60...(19) Violated in 0 structures by 0.00 A. Peak 2924 from cnoeabs.peaks (8.43, 0.75, 21.32 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 93 + QG1 VAL 93 OK 100 100 100 100 1.6-3.8 3.9=88, 7270/2.1=80...(15) H SER 74 + QG1 VAL 93 OK 61 63 100 97 2.3-4.4 3.6/11422=39...(21) H ALA 34 - QG1 VAL 93 far 0 100 0 - 7.5-16.7 Violated in 0 structures by 0.00 A. Peak 2925 from cnoeabs.peaks (3.25, 0.75, 21.32 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 93 + QG1 VAL 93 OK 100 100 100 100 2.2-2.7 3.2=100 HB2 PHE 87 - QG1 VAL 93 far 0 81 0 - 8.2-11.1 HB3 PHE 87 - QG1 VAL 93 far 0 89 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 2926 from cnoeabs.peaks (1.83, 0.75, 21.32 ppm; 3.25 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 93 + QG1 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 100 - QG1 VAL 93 far 0 99 0 - 6.5-9.4 HB ILE 32 - QG1 VAL 93 far 0 97 0 - 6.9-14.5 HB2 CYS 79 - QG1 VAL 93 far 0 97 0 - 9.1-11.3 HB3 LYS 31 - QG1 VAL 93 far 0 90 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 2927 from cnoeabs.peaks (0.29, 0.75, 21.32 ppm; 2.88 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 93 + QG1 VAL 93 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 80 - QG1 VAL 93 far 4 83 5 - 3.8-7.7 Violated in 0 structures by 0.00 A. Peak 2928 from cnoeabs.peaks (0.75, 0.75, 21.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 93 + QG1 VAL 93 OK 100 100 - 100 Peak 2929 from cnoeabs.peaks (7.99, 0.75, 21.32 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + QG1 VAL 93 OK 100 100 100 100 2.8-4.0 7281/2.1=81, 4.3=78...(24) H ILE 129 - QG1 VAL 93 far 0 97 0 - 5.6-8.0 Violated in 0 structures by 0.00 A. Peak 2930 from cnoeabs.peaks (7.99, 4.23, 61.64 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * H SER 94 + HA SER 94 OK 100 100 100 100 2.7-2.9 2.9=100 H ILE 129 - HA SER 124 far 0 90 0 - 6.1-7.1 H SER 51 - HA SER 124 far 0 93 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 2931 from cnoeabs.peaks (4.23, 4.23, 61.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 94 + HA SER 94 OK 100 100 - 100 HA SER 124 + HA SER 124 OK 93 93 - 100 Peak 2932 from cnoeabs.peaks (3.90, 4.23, 61.64 ppm; 4.04 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 94 + HA SER 94 OK 100 100 100 100 2.3-2.7 3.0=100 HA ALA 46 - HA SER 124 far 0 93 0 - 7.0-11.1 HB3 SER 50 - HA SER 124 far 0 86 0 - 7.0-9.4 HA LEU 70 - HA SER 94 far 0 81 0 - 7.2-9.0 HA2 GLY 2 - HA SER 124 far 0 92 0 - 8.1-73.5 HA3 GLY 2 - HA SER 124 far 0 92 0 - 9.0-73.8 HA3 GLY 75 - HA SER 94 far 0 100 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2933 from cnoeabs.peaks (3.97, 4.23, 61.64 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HB3 SER 94 + HA SER 94 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 124 + HA SER 124 OK 68 68 100 100 2.2-3.0 3.0=100 HA SER 50 - HA SER 124 far 7 66 10 - 4.5-8.1 HA GLU 91 - HA SER 94 far 0 99 0 - 5.4-6.1 HA GLN 127 - HA SER 124 far 0 95 0 - 5.4-6.0 Violated in 0 structures by 0.00 A. Peak 2934 from cnoeabs.peaks (7.71, 4.23, 61.64 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 95 + HA SER 94 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 53 - HA SER 124 far 0 92 0 - 6.6-11.2 H GLN 101 - HA SER 94 far 0 65 0 - 7.3-8.8 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (8.50, 4.23, 61.64 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 97 + HA SER 94 OK 100 100 100 100 3.6-4.4 7334=100, 7345/3117=73...(17) H LEU 100 - HA SER 94 far 0 95 0 - 7.7-8.7 H HIS 4 - HA SER 124 far 0 71 0 - 8.7-68.3 H VAL 132 - HA SER 124 far 0 56 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 2936 from cnoeabs.peaks (2.14, 4.23, 61.64 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 97 + HA SER 94 OK 100 100 100 100 3.4-5.0 3117=100, 2.9/11457=67...(12) HG3 GLU 91 - HA SER 94 far 0 60 0 - 8.2-9.3 HB3 LEU 69 - HA SER 124 far 0 58 0 - 9.1-13.4 HG3 GLU 91 - HA SER 124 far 0 53 0 - 9.9-15.0 Violated in 7 structures by 0.13 A. Peak 2937 from cnoeabs.peaks (2.21, 4.23, 61.64 ppm; 4.11 A): 3 out of 8 assignments used, quality = 0.99: HB3 GLN 127 + HA SER 124 OK 91 91 100 100 3.0-4.7 4049=92, 1.8/3966=77...(15) HB3 GLU 128 + HA SER 124 OK 71 92 90 86 4.1-7.2 3.6/7838=33, 3125=30...(11) * HB3 GLU 97 + HA SER 94 OK 70 100 70 99 4.5-6.3 1.8/3117=83...(13) HB3 LEU 96 - HA SER 94 far 8 83 10 - 5.6-7.3 HB2 GLN 101 - HA SER 94 far 0 97 0 - 7.0-8.9 HG2 GLU 91 - HA SER 94 far 0 97 0 - 7.0-7.9 HB3 LEU 96 - HA SER 124 far 0 75 0 - 7.7-9.0 HB3 GLU 102 - HA SER 94 far 0 95 0 - 9.9-13.1 Violated in 2 structures by 0.01 A. Peak 2938 from cnoeabs.peaks (3.98, 3.90, 62.72 ppm; 4.35 A): 5 out of 9 assignments used, quality = 1.00: HB3 SER 94 + HB2 SER 94 OK 99 99 100 100 1.8-1.8 1.8=100 * HA GLU 91 + HB2 SER 94 OK 86 100 100 86 3.1-4.5 2858=52, 2857/3.6=33...(7) HA SER 50 + HB3 SER 50 OK 60 60 100 100 2.6-3.0 3.0=100 HB3 SER 51 + HB3 SER 50 OK 58 73 95 84 3.9-6.2 3.8/6636=27, 1591=24...(14) HA GLN 127 + HB3 SER 50 OK 40 67 75 80 4.0-6.7 4037/1.8=25, 2858=24...(13) HA2 GLY 17 - HB3 SER 50 far 0 55 0 - 8.6-34.5 HB2 SER 124 - HB3 SER 50 far 0 62 0 - 9.4-12.3 HB3 SER 99 - HB2 SER 94 far 0 71 0 - 9.7-12.3 HA VAL 20 - HB3 SER 50 far 0 68 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 2939 from cnoeabs.peaks (7.99, 3.90, 62.72 ppm; 3.67 A): 2 out of 4 assignments used, quality = 1.00: * H SER 94 + HB2 SER 94 OK 100 100 100 100 2.2-3.0 3.6=100 H SER 51 + HB3 SER 50 OK 66 70 100 95 2.6-3.7 4.7=49, 1601/1.8=36...(26) H ILE 129 - HB3 SER 50 far 0 67 0 - 8.2-10.6 H THR 18 - HB3 SER 50 far 0 55 0 - 8.7-37.0 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (4.23, 3.90, 62.72 ppm; 3.53 A): 2 out of 11 assignments used, quality = 1.00: * HA SER 94 + HB2 SER 94 OK 100 100 100 100 2.3-2.7 3.0=100 HA SER 51 + HB3 SER 50 OK 26 60 70 62 4.1-5.5 3.0/6636=22, 1611/3.0=19...(8) HA ALA 28 - HB2 SER 94 far 5 100 5 - 4.8-28.3 HA SER 124 - HB3 SER 50 far 0 70 0 - 7.0-9.4 HA GLN 27 - HB3 SER 50 far 0 67 0 - 7.5-26.5 HA GLU 30 - HB2 SER 94 far 0 99 0 - 8.3-26.5 HA ALA 88 - HB2 SER 94 far 0 60 0 - 8.3-9.6 HA GLN 27 - HB2 SER 94 far 0 97 0 - 8.8-29.6 HA ALA 29 - HB2 SER 94 far 0 100 0 - 9.1-24.6 HA ALA 29 - HB3 SER 50 far 0 72 0 - 9.2-21.6 HA ALA 28 - HB3 SER 50 far 0 72 0 - 9.8-24.3 Violated in 0 structures by 0.00 A. Peak 2941 from cnoeabs.peaks (3.90, 3.90, 62.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 94 + HB2 SER 94 OK 100 100 - 100 HB3 SER 50 + HB3 SER 50 OK 63 63 - 100 Peak 2942 from cnoeabs.peaks (3.97, 3.90, 62.72 ppm; 2.67 A): 3 out of 9 assignments used, quality = 1.00: * HB3 SER 94 + HB2 SER 94 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 50 + HB3 SER 50 OK 35 46 100 76 2.6-3.0 3.0=69, 3.6/6636=10...(8) HA GLU 91 + HB2 SER 94 OK 30 99 80 39 3.1-4.5 2858=12, 2857/3.6=11...(6) HB3 SER 51 - HB3 SER 50 poor 17 69 25 - 3.9-6.2 HA GLN 127 - HB3 SER 50 far 4 73 5 - 4.0-6.7 HB2 SER 51 - HB3 SER 50 far 3 35 10 - 3.9-6.5 HA2 GLY 17 - HB3 SER 50 far 0 67 0 - 8.6-34.5 HB2 SER 124 - HB3 SER 50 far 0 48 0 - 9.4-12.3 HA VAL 20 - HB3 SER 50 far 0 57 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 2943 from cnoeabs.peaks (7.71, 3.90, 62.72 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB2 SER 94 OK 100 100 100 100 3.7-4.3 4.4=100 H LEU 53 + HB3 SER 50 OK 69 69 100 100 5.4-6.1 6658/4.7=84...(15) H CYS 45 - HB3 SER 50 far 0 57 0 - 8.3-10.5 H GLN 101 - HB2 SER 94 far 0 65 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2944 from cnoeabs.peaks (3.98, 3.97, 62.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 SER 94 + HB3 SER 94 OK 99 99 - 100 HB3 SER 51 + HB3 SER 51 OK 93 93 - 100 HA VAL 20 + HA VAL 20 OK 37 37 - 100 Reference assignment not found: HA GLU 91 - HB3 SER 94 Peak 2945 from cnoeabs.peaks (7.99, 3.97, 62.72 ppm; 3.96 A): 2 out of 9 assignments used, quality = 1.00: * H SER 94 + HB3 SER 94 OK 100 100 100 100 2.2-3.0 3.6=100 H SER 51 + HB3 SER 51 OK 90 90 100 100 2.1-3.0 3.8=100 H THR 18 - HB3 SER 51 far 4 74 5 - 3.7-35.3 H THR 18 - HA VAL 20 far 3 30 10 - 5.1-8.4 H SER 51 - HA VAL 20 far 0 39 0 - 7.4-33.2 H SER 38 - HA VAL 20 far 0 37 0 - 7.8-29.2 H LYS 36 - HA VAL 20 far 0 40 0 - 9.2-28.8 H ILE 37 - HA VAL 20 far 0 23 0 - 9.6-28.0 H ILE 129 - HB3 SER 94 far 0 97 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2946 from cnoeabs.peaks (4.23, 3.97, 62.72 ppm; 3.78 A): 2 out of 15 assignments used, quality = 1.00: * HA SER 94 + HB3 SER 94 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 51 + HB3 SER 51 OK 80 80 100 100 2.7-3.0 2.9=100 HA ALA 28 - HA VAL 20 far 2 40 5 - 2.3-19.2 HA GLN 27 - HB3 SER 51 far 0 87 0 - 6.0-28.3 HA ALA 28 - HB3 SER 94 far 0 100 0 - 6.4-27.5 HA GLN 27 - HA VAL 20 far 0 37 0 - 6.9-17.6 HB3 SER 38 - HA VAL 20 far 0 37 0 - 6.9-31.9 HA ALA 28 - HB3 SER 51 far 0 92 0 - 7.1-26.2 HA ALA 29 - HA VAL 20 far 0 40 0 - 7.3-18.3 HA ALA 88 - HB3 SER 94 far 0 60 0 - 7.7-9.2 HA SER 51 - HA VAL 20 far 0 32 0 - 8.3-35.2 HA GLU 30 - HA VAL 20 far 0 39 0 - 8.7-20.5 HA ALA 29 - HB3 SER 51 far 0 92 0 - 9.3-24.5 HA GLN 27 - HB3 SER 94 far 0 97 0 - 9.8-30.1 HA GLU 30 - HB3 SER 94 far 0 99 0 - 9.8-27.0 Violated in 0 structures by 0.00 A. Peak 2947 from cnoeabs.peaks (3.90, 3.97, 62.72 ppm; 2.62 A): 1 out of 12 assignments used, quality = 1.00: * HB2 SER 94 + HB3 SER 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 50 - HB3 SER 51 far 12 83 15 - 3.9-6.2 HA2 GLY 2 - HB3 SER 51 far 0 89 0 - 5.1-70.8 HA3 GLY 14 - HA VAL 20 far 0 32 0 - 5.1-17.5 HA3 GLY 2 - HB3 SER 51 far 0 89 0 - 6.1-71.1 HA2 GLY 14 - HA VAL 20 far 0 32 0 - 6.2-16.3 HB2 SER 33 - HA VAL 20 far 0 38 0 - 7.3-26.8 HB3 SER 60 - HA VAL 20 far 0 39 0 - 7.5-31.6 HB2 SER 60 - HA VAL 20 far 0 39 0 - 7.7-32.3 HA ALA 46 - HB3 SER 51 far 0 91 0 - 7.9-9.2 HA LEU 70 - HB3 SER 94 far 0 81 0 - 9.6-11.0 HB3 SER 50 - HA VAL 20 far 0 34 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 2948 from cnoeabs.peaks (3.97, 3.97, 62.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 SER 94 + HB3 SER 94 OK 100 100 - 100 HB3 SER 51 + HB3 SER 51 OK 89 89 - 100 HA VAL 20 + HA VAL 20 OK 31 31 - 100 Peak 2949 from cnoeabs.peaks (7.71, 3.97, 62.72 ppm; 4.69 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 95 + HB3 SER 94 OK 100 100 100 100 2.8-3.3 4.4=100 H LEU 53 + HB3 SER 51 OK 89 89 100 100 4.7-5.7 9219/1.8=87, 6658/3.8=55...(11) H LEU 53 - HA VAL 20 far 0 38 0 - 9.1-31.5 H GLN 101 - HB3 SER 94 far 0 65 0 - 9.5-10.8 H CYS 45 - HB3 SER 51 far 0 76 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 2950 from cnoeabs.peaks (7.71, 4.02, 59.62 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HA LYS 95 OK 100 100 100 100 2.9-2.9 2.9=100 H GLN 101 - HA LYS 95 far 0 65 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 2951 from cnoeabs.peaks (4.02, 4.02, 59.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 95 + HA LYS 95 OK 100 100 - 100 Peak 2952 from cnoeabs.peaks (1.94, 4.02, 59.62 ppm; 3.88 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 GLN 27 - HA LYS 95 far 0 63 0 - 6.4-27.9 HB3 ARG 90 - HA LYS 95 far 0 93 0 - 9.5-11.7 HB2 ARG 90 - HA LYS 95 far 0 73 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 2953 from cnoeabs.peaks (1.94, 4.02, 59.62 ppm; 3.88 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLN 27 - HA LYS 95 far 0 71 0 - 6.4-27.9 HB3 ARG 90 - HA LYS 95 far 0 97 0 - 9.5-11.7 HB2 ARG 90 - HA LYS 95 far 0 65 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 2954 from cnoeabs.peaks (1.39, 4.02, 59.62 ppm; 4.49 A): 4 out of 11 assignments used, quality = 1.00: * HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.2-3.6 3.9=100 HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.1-4.1 3.9=100 HG LEU 96 + HA LYS 95 OK 37 97 40 94 4.9-7.1 2.1/11441=32...(32) HB2 LEU 96 + HA LYS 95 OK 29 99 30 96 5.5-6.6 3.2/11441=27, ~9975=23...(45) QB ALA 108 - HA LYS 95 far 0 100 0 - 6.1-18.7 HG2 LYS 24 - HA LYS 95 far 0 99 0 - 6.3-34.2 QB ALA 110 - HA LYS 95 far 0 100 0 - 6.9-22.2 HB3 LEU 100 - HA LYS 95 far 0 99 0 - 7.7-9.6 QB ALA 28 - HA LYS 95 far 0 100 0 - 8.2-21.8 QB ALA 29 - HA LYS 95 far 0 99 0 - 8.8-18.6 QB ALA 109 - HA LYS 95 far 0 100 0 - 9.9-20.0 Violated in 0 structures by 0.00 A. Peak 2955 from cnoeabs.peaks (1.39, 4.02, 59.62 ppm; 4.49 A): 4 out of 11 assignments used, quality = 1.00: * HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.1-4.1 3.9=100 HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.2-3.6 3.9=100 HG LEU 96 + HA LYS 95 OK 36 96 40 94 4.9-7.1 2.1/11441=32...(32) HB2 LEU 96 + HA LYS 95 OK 29 100 30 96 5.5-6.6 3.2/11441=27, ~9975=23...(45) QB ALA 108 - HA LYS 95 far 0 100 0 - 6.1-18.7 HG2 LYS 24 - HA LYS 95 far 0 99 0 - 6.3-34.2 QB ALA 110 - HA LYS 95 far 0 100 0 - 6.9-22.2 HB3 LEU 100 - HA LYS 95 far 0 99 0 - 7.7-9.6 QB ALA 28 - HA LYS 95 far 0 100 0 - 8.2-21.8 QB ALA 29 - HA LYS 95 far 0 100 0 - 8.8-18.6 QB ALA 109 - HA LYS 95 far 0 100 0 - 9.9-20.0 Violated in 0 structures by 0.00 A. Peak 2956 from cnoeabs.peaks (1.65, 4.02, 59.62 ppm; 4.36 A): 3 out of 5 assignments used, quality = 1.00: HB2 LEU 98 + HA LYS 95 OK 100 100 100 100 3.7-5.1 3158=100, 1.8/2963=86...(15) * HD2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.1-5.5 5.0=66, 7303/2.9=35...(30) HD3 LYS 95 + HA LYS 95 OK 99 100 100 100 1.9-4.9 5.0=66, 7304/2.9=35...(33) HD3 LYS 24 - HA LYS 95 far 5 99 5 - 4.2-34.8 HD2 LYS 24 - HA LYS 95 far 5 99 5 - 4.1-35.8 Violated in 0 structures by 0.00 A. Peak 2957 from cnoeabs.peaks (1.66, 4.02, 59.62 ppm; 4.35 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 95 + HA LYS 95 OK 100 100 100 100 1.9-4.9 5.0=65, 7304/2.9=35...(33) HD2 LYS 95 + HA LYS 95 OK 99 100 100 100 3.1-5.5 5.0=65, 7303/2.9=35...(30) HB2 LEU 98 + HA LYS 95 OK 99 99 100 100 3.7-5.1 3158=99, 1.8/2963=86...(15) HD3 LYS 24 - HA LYS 95 far 5 100 5 - 4.2-34.8 HD2 LYS 24 - HA LYS 95 far 5 100 5 - 4.1-35.8 Violated in 0 structures by 0.00 A. Peak 2958 from cnoeabs.peaks (2.88, 4.02, 59.62 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.4-5.0 6.4=100 * HE2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.8-4.5 6.4=100 Violated in 0 structures by 0.00 A. Peak 2959 from cnoeabs.peaks (2.88, 4.02, 59.62 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.4-5.0 6.4=100 HE2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.8-4.5 6.4=100 Violated in 0 structures by 0.00 A. Peak 2960 from cnoeabs.peaks (8.27, 4.02, 59.62 ppm; 4.40 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 96 + HA LYS 95 OK 100 100 100 100 3.3-3.6 3.6=100 H SER 99 + HA LYS 95 OK 87 89 100 99 3.6-4.5 4.6/3158=50, 4.6/2963=49...(23) H VAL 126 - HA LYS 95 far 0 90 0 - 7.2-9.8 H LEU 123 - HA LYS 95 far 0 92 0 - 8.2-10.5 H ALA 29 - HA LYS 95 far 0 68 0 - 8.8-24.6 H ALA 110 - HA LYS 95 far 0 68 0 - 9.8-24.1 Violated in 0 structures by 0.00 A. Peak 2961 from cnoeabs.peaks (7.74, 4.02, 59.62 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 98 + HA LYS 95 OK 100 100 100 100 3.2-4.3 7364/2963=79...(19) H VAL 118 - HA LYS 95 far 0 85 0 - 8.0-12.6 Violated in 0 structures by 0.00 A. Peak 2962 from cnoeabs.peaks (1.65, 4.02, 59.62 ppm; 4.36 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 98 + HA LYS 95 OK 100 100 100 100 3.7-5.1 3158=100, 1.8/2963=86...(15) HD2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.1-5.5 5.0=65, 7303/2.9=35...(30) HD3 LYS 95 + HA LYS 95 OK 99 99 100 100 1.9-4.9 5.0=65, 7303/2.9=35...(33) HD3 LYS 24 - HA LYS 95 far 5 99 5 - 4.2-34.8 HD2 LYS 24 - HA LYS 95 far 5 98 5 - 4.1-35.8 Violated in 0 structures by 0.00 A. Peak 2963 from cnoeabs.peaks (1.78, 4.02, 59.62 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 98 + HA LYS 95 OK 100 100 100 100 2.2-4.3 1.8/3158=80...(25) HB3 LEU 122 - HA LYS 95 far 5 98 5 - 5.1-9.6 HB3 LYS 24 - HA LYS 95 far 0 60 0 - 6.3-31.8 HG LEU 100 - HA LYS 95 far 0 99 0 - 9.8-10.6 Violated in 2 structures by 0.02 A. Peak 2964 from cnoeabs.peaks (4.05, 1.94, 32.34 ppm; 5.42 A): 9 out of 20 assignments used, quality = 1.00: * HA ALA 92 + HB2 LYS 95 OK 100 100 100 100 2.5-4.4 2894/4.0=71, 2895=50...(24) HA ALA 92 + HB3 LYS 95 OK 100 100 100 100 3.8-5.2 2894/4.0=71, ~9948=65...(21) HA LEU 96 + HB2 LYS 95 OK 98 99 100 99 4.0-4.9 2.9/7316=43, ~7317=33...(36) HA LEU 96 + HB3 LYS 95 OK 98 99 100 99 3.9-5.7 2.9/7316=43, ~7316=33...(36) HD3 PRO 81 + HB3 PRO 81 OK 72 72 100 100 3.0-4.0 3.0=100 HA LYS 95 + HB2 LYS 95 OK 63 63 100 100 2.5-3.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 62 62 100 100 2.2-2.8 3.0=100 HA LEU 122 + HB2 LYS 95 OK 54 100 95 57 4.6-7.1 3862/4.6=17...(15) HA LEU 122 + HB3 LYS 95 OK 54 100 95 57 3.8-7.2 3862/4.6=17...(15) HA ARG 135 - HB3 PRO 81 poor 17 38 45 - 4.6-10.8 HD3 PRO 81 - HB3 LYS 86 poor 6 31 20 - 5.7-9.1 HB3 SER 124 - HB2 LYS 95 far 4 87 5 - 6.5-9.1 HB3 SER 124 - HB3 LYS 95 far 4 86 5 - 6.8-9.5 HA LEU 119 - HB3 LYS 95 far 0 77 0 - 7.5-13.2 HA LEU 119 - HB2 PRO 58 far 0 53 0 - 8.9-15.3 HB2 SER 74 - HB2 LYS 95 far 0 83 0 - 9.1-12.2 HA LEU 119 - HB2 LYS 95 far 0 78 0 - 9.1-13.5 HB THR 65 - HB2 PRO 58 far 0 61 0 - 9.2-11.1 HB3 SER 74 - HB2 LYS 95 far 0 81 0 - 9.7-12.2 HB2 SER 74 - HB3 LYS 95 far 0 82 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2965 from cnoeabs.peaks (7.71, 1.94, 32.34 ppm; 5.14 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.6 4.0=100 H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.0-3.7 4.0=100 H GLN 101 - HB3 LYS 95 far 0 64 0 - 8.1-9.5 H GLN 101 - HB2 LYS 95 far 0 65 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 2966 from cnoeabs.peaks (4.02, 1.94, 32.34 ppm; 4.81 A): 8 out of 21 assignments used, quality = 1.00: * HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-2.8 3.0=100 HA LEU 96 + HB2 LYS 95 OK 76 78 100 97 4.0-4.9 2.9/7316=37, ~7317=26...(35) HA LEU 96 + HB3 LYS 95 OK 75 77 100 97 3.9-5.7 2.9/7316=37, ~7316=26...(36) HA SER 60 + HB2 PRO 58 OK 67 72 95 98 4.7-6.7 ~9330=46, ~9338=45...(17) HA ALA 92 + HB2 LYS 95 OK 61 63 100 97 2.5-4.4 2.1/9948=46, ~9948=31...(20) HD3 PRO 81 + HB3 PRO 81 OK 61 61 100 100 3.0-4.0 3.0=100 HA ALA 92 + HB3 LYS 95 OK 60 62 100 98 3.8-5.2 ~9948=56, ~9948=32...(18) HB3 SER 99 - HB3 LYS 95 poor 19 92 50 40 4.4-7.5 3.7/2987=12, ~3208=9...(7) HA ARG 135 - HB3 PRO 81 poor 9 77 30 40 4.6-10.8 ~4336=9, ~7977=8...(10) HB3 SER 99 - HB2 LYS 95 far 9 93 10 - 5.8-8.2 HA VAL 20 - HB2 PRO 58 far 2 39 5 - 6.1-33.6 HD3 PRO 81 - HB3 LYS 86 far 1 26 5 - 5.7-9.1 HB2 SER 124 - HB2 LYS 95 far 0 73 0 - 6.4-10.6 HB2 SER 124 - HB3 LYS 95 far 0 72 0 - 6.4-9.6 HB3 SER 124 - HB2 LYS 95 far 0 97 0 - 6.5-9.1 HB3 SER 124 - HB3 LYS 95 far 0 97 0 - 6.8-9.5 HA LEU 119 - HB3 LYS 95 far 0 99 0 - 7.5-13.2 HB2 SER 38 - HB3 PRO 81 far 0 76 0 - 8.1-16.8 HA LEU 119 - HB2 PRO 58 far 0 75 0 - 8.9-15.3 HA LEU 119 - HB2 LYS 95 far 0 99 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 2967 from cnoeabs.peaks (1.94, 1.94, 32.34 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 HB3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 HB3 PRO 81 + HB3 PRO 81 OK 74 74 - 100 HB2 PRO 58 + HB2 PRO 58 OK 70 70 - 100 HB3 LYS 86 + HB3 LYS 86 OK 26 26 - 100 Peak 2968 from cnoeabs.peaks (1.94, 1.94, 32.34 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 HB3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 HB3 PRO 81 + HB3 PRO 81 OK 76 76 - 100 HB2 PRO 58 + HB2 PRO 58 OK 73 73 - 100 HB3 LYS 86 + HB3 LYS 86 OK 28 28 - 100 Reference assignment not found: HB3 LYS 95 - HB2 LYS 95 Peak 2969 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 5.15 A): 9 out of 28 assignments used, quality = 1.00: * HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 97 99 100 98 4.3-6.1 3.8/7316=35, 3248/4.0=21...(41) HB2 LEU 96 + HB3 LYS 95 OK 91 98 95 97 4.8-7.1 3.8/7316=35, 3248/4.0=21...(42) HG LEU 96 + HB2 LYS 95 OK 40 97 45 92 4.0-7.3 5.0/7316=28...(26) HG LEU 96 + HB3 LYS 95 OK 35 97 40 91 4.9-8.2 5.0/7316=28...(25) QB ALA 109 + HB2 PRO 58 OK 30 77 40 97 2.4-15.7 10930/1.8=73...(5) QB ALA 110 - HB2 PRO 58 poor 19 76 25 - 2.1-17.2 QB ALA 110 - HB3 LYS 95 far 5 99 5 - 6.4-21.9 QB ALA 16 - HB2 PRO 58 far 3 62 5 - 5.1-32.3 HG2 LYS 19 - HB2 PRO 58 far 3 51 5 - 5.7-38.6 QB ALA 12 - HB2 PRO 58 far 2 41 5 - 4.6-36.0 QB ALA 108 - HB2 PRO 58 lone 2 77 35 6 5.0-16.0 9359/11279=3, 9356/2985=1 QB ALA 29 - HB2 PRO 58 far 0 75 0 - 6.7-17.5 QB ALA 108 - HB3 LYS 95 far 0 100 0 - 7.2-19.3 HB3 LEU 100 - HB3 LYS 95 far 0 98 0 - 7.2-9.9 QB ALA 28 - HB2 PRO 58 far 0 76 0 - 7.3-22.0 HG2 LYS 24 - HB3 LYS 95 far 0 98 0 - 7.5-33.5 QB ALA 110 - HB2 LYS 95 far 0 100 0 - 7.7-22.5 QB ALA 15 - HB2 PRO 58 far 0 76 0 - 8.0-35.9 HB3 LEU 100 - HB2 LYS 95 far 0 99 0 - 8.0-10.6 QB ALA 108 - HB2 LYS 95 far 0 100 0 - 8.3-19.9 HG2 LYS 24 - HB2 LYS 95 far 0 99 0 - 8.6-33.5 HG3 LYS 26 - HB2 PRO 58 far 0 75 0 - 8.8-26.1 HB2 LEU 42 - HB3 PRO 81 far 0 73 0 - 9.5-14.8 QB ALA 28 - HB2 LYS 95 far 0 100 0 - 9.6-21.0 Violated in 0 structures by 0.00 A. Peak 2970 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 5.15 A): 9 out of 28 assignments used, quality = 1.00: * HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 97 100 100 98 4.3-6.1 3.8/7316=35, 3248/4.0=21...(41) HB2 LEU 96 + HB3 LYS 95 OK 92 99 95 97 4.8-7.1 3.8/7316=35, 3248/4.0=21...(42) HG LEU 96 + HB2 LYS 95 OK 39 96 45 92 4.0-7.3 5.0/7316=28, ~11441=24...(25) HG LEU 96 + HB3 LYS 95 OK 34 95 40 91 4.9-8.2 5.0/7316=28, ~11441=24...(24) QB ALA 109 + HB2 PRO 58 OK 30 77 40 97 2.4-15.7 10930/1.8=73...(5) QB ALA 110 - HB2 PRO 58 poor 19 77 25 - 2.1-17.2 QB ALA 110 - HB3 LYS 95 far 5 100 5 - 6.4-21.9 QB ALA 16 - HB2 PRO 58 far 3 59 5 - 5.1-32.3 HG2 LYS 19 - HB2 PRO 58 far 3 55 5 - 5.7-38.6 QB ALA 12 - HB2 PRO 58 far 2 45 5 - 4.6-36.0 QB ALA 108 - HB2 PRO 58 lone 2 77 35 6 5.0-16.0 9359/11279=3 QB ALA 29 - HB2 PRO 58 far 0 76 0 - 6.7-17.5 QB ALA 108 - HB3 LYS 95 far 0 100 0 - 7.2-19.3 HB3 LEU 100 - HB3 LYS 95 far 0 99 0 - 7.2-9.9 QB ALA 28 - HB2 PRO 58 far 0 77 0 - 7.3-22.0 HG2 LYS 24 - HB3 LYS 95 far 0 99 0 - 7.5-33.5 QB ALA 110 - HB2 LYS 95 far 0 100 0 - 7.7-22.5 QB ALA 15 - HB2 PRO 58 far 0 77 0 - 8.0-35.9 HB3 LEU 100 - HB2 LYS 95 far 0 99 0 - 8.0-10.6 QB ALA 108 - HB2 LYS 95 far 0 100 0 - 8.3-19.9 HG2 LYS 24 - HB2 LYS 95 far 0 99 0 - 8.6-33.5 HG3 LYS 26 - HB2 PRO 58 far 0 76 0 - 8.8-26.1 HB2 LEU 42 - HB3 PRO 81 far 0 75 0 - 9.5-14.8 QB ALA 28 - HB2 LYS 95 far 0 100 0 - 9.6-21.0 Violated in 0 structures by 0.00 A. Peak 2971 from cnoeabs.peaks (1.65, 1.94, 32.34 ppm; 5.06 A): 7 out of 33 assignments used, quality = 1.00: * HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 99 99 100 100 2.8-3.8 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 75 100 75 100 5.1-7.4 3158/3.0=87, ~2963=61...(24) HD2 LYS 86 + HB3 LYS 86 OK 33 33 100 100 2.0-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 33 33 100 100 2.5-4.0 3.5=100 HD2 LYS 39 - HB3 PRO 81 poor 15 50 30 - 5.2-12.1 QB ALA 88 - HB3 LYS 86 poor 15 33 45 - 6.3-6.9 HB2 LEU 98 - HB2 LYS 95 far 5 100 5 - 6.4-8.0 HD3 LYS 24 - HB2 LYS 95 far 5 99 5 - 6.2-33.9 HD3 LYS 24 - HB3 LYS 95 far 5 99 5 - 5.1-34.1 HD2 LYS 24 - HB2 LYS 95 far 5 99 5 - 6.2-35.0 HD2 LYS 24 - HB3 LYS 95 far 5 98 5 - 5.6-35.2 HD3 LYS 86 - HB3 PRO 81 far 4 76 5 - 5.8-10.6 HD3 LYS 26 - HB2 PRO 58 far 4 76 5 - 5.9-27.5 HD2 LYS 86 - HB3 PRO 81 far 4 76 5 - 6.4-10.7 HD2 LYS 19 - HB2 PRO 58 far 4 76 5 - 5.6-37.7 HG3 ARG 84 - HB3 PRO 81 far 3 63 5 - 6.5-12.4 HG2 ARG 84 - HB3 LYS 86 far 1 26 5 - 5.5-9.6 HG3 ARG 84 - HB3 LYS 86 far 1 26 5 - 6.1-9.4 HG2 ARG 84 - HB3 PRO 81 far 0 63 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 75 0 - 7.0-28.1 HG3 ARG 23 - HB2 PRO 58 far 0 41 0 - 7.1-32.0 HD3 LYS 19 - HB2 PRO 58 far 0 76 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 75 0 - 7.4-9.0 QB ALA 88 - HB2 LYS 95 far 0 99 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 75 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 71 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 99 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 98 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 75 0 - 9.1-32.1 HB2 LEU 123 - HB2 LYS 95 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2972 from cnoeabs.peaks (1.66, 1.94, 32.34 ppm; 5.06 A): 7 out of 32 assignments used, quality = 1.00: * HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 99 99 100 100 3.3-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 74 98 75 100 5.1-7.4 3158/3.0=86, ~2963=61...(24) HD2 LYS 86 + HB3 LYS 86 OK 34 34 100 100 2.0-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 34 34 100 100 2.5-4.0 3.5=100 HD2 LYS 39 - HB3 PRO 81 poor 18 59 30 - 5.2-12.1 QB ALA 88 - HB3 LYS 86 poor 15 34 45 - 6.3-6.9 HD3 LYS 24 - HB2 LYS 95 far 5 100 5 - 6.2-33.9 HD2 LYS 24 - HB2 LYS 95 far 5 100 5 - 6.2-35.0 HD3 LYS 24 - HB3 LYS 95 far 5 100 5 - 5.1-34.1 HD2 LYS 24 - HB3 LYS 95 far 5 100 5 - 5.6-35.2 HB2 LEU 98 - HB2 LYS 95 far 5 99 5 - 6.4-8.0 HD3 LYS 86 - HB3 PRO 81 far 4 78 5 - 5.8-10.6 HD2 LYS 86 - HB3 PRO 81 far 4 78 5 - 6.4-10.7 HD3 LYS 26 - HB2 PRO 58 far 4 77 5 - 5.9-27.5 HD2 LYS 19 - HB2 PRO 58 far 4 72 5 - 5.6-37.7 HG3 ARG 84 - HB3 PRO 81 far 3 54 5 - 6.5-12.4 HG2 ARG 84 - HB3 LYS 86 far 1 22 5 - 5.5-9.6 HG3 ARG 84 - HB3 LYS 86 far 1 22 5 - 6.1-9.4 HG2 ARG 84 - HB3 PRO 81 far 0 54 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 77 0 - 7.0-28.1 HD3 LYS 19 - HB2 PRO 58 far 0 72 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 71 0 - 7.4-9.0 QB ALA 88 - HB2 LYS 95 far 0 100 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 77 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 64 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 97 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 100 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 77 0 - 9.1-32.1 HB2 LEU 123 - HB2 LYS 95 far 0 98 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2973 from cnoeabs.peaks (2.88, 1.94, 32.34 ppm; 6.80 A): 5 out of 6 assignments used, quality = 1.00: * HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 76 76 100 100 4.8-6.9 6718/4.3=97, 4.5/9332=48...(8) HB2 ASN 116 - HB2 PRO 58 far 4 39 10 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 2974 from cnoeabs.peaks (2.88, 1.94, 32.34 ppm; 6.80 A): 5 out of 6 assignments used, quality = 1.00: HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=100 * HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 76 76 100 100 4.8-6.9 6718/4.3=97, 4.5/9332=48...(8) HB2 ASN 116 - HB2 PRO 58 far 4 39 10 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 2975 from cnoeabs.peaks (8.27, 1.94, 32.34 ppm; 6.04 A): 6 out of 16 assignments used, quality = 1.00: * H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.5-4.0 4.6=100 H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.1-4.4 4.6=100 H SER 99 + HB3 LYS 95 OK 82 88 100 93 4.4-6.2 2960/3.0=44...(21) H SER 99 + HB2 LYS 95 OK 81 89 100 91 5.5-6.7 2960/3.0=44, ~11341=23...(20) H VAL 126 + HB2 LYS 95 OK 72 90 95 84 5.2-8.2 3.6/11650=39...(11) H VAL 126 + HB3 LYS 95 OK 59 89 80 82 6.0-8.3 4.7/11652=38...(11) H GLY 111 - HB2 PRO 58 poor 14 41 35 - 4.2-17.4 H ALA 110 - HB2 PRO 58 poor 14 45 30 - 2.5-19.3 H LEU 123 - HB3 LYS 95 far 5 91 5 - 6.6-10.3 H ARG 23 - HB2 PRO 58 far 2 39 5 - 6.5-31.3 H LEU 123 - HB2 LYS 95 far 0 92 0 - 7.8-9.9 H GLU 30 - HB2 PRO 58 far 0 70 0 - 7.9-25.1 H GLU 40 - HB3 PRO 81 far 0 76 0 - 8.0-14.9 H ALA 110 - HB3 LYS 95 far 0 67 0 - 9.8-23.6 H LEU 43 - HB3 PRO 81 far 0 69 0 - 9.8-16.6 H ALA 29 - HB2 PRO 58 far 0 45 0 - 9.9-22.5 Violated in 0 structures by 0.00 A. Peak 2976 from cnoeabs.peaks (4.05, 1.94, 32.34 ppm; 5.51 A): 9 out of 20 assignments used, quality = 1.00: * HA ALA 92 + HB3 LYS 95 OK 100 100 100 100 3.8-5.2 2894/4.0=73, ~9948=66...(21) HA ALA 92 + HB2 LYS 95 OK 100 100 100 100 2.5-4.4 2894/4.0=73, 2.1/9948=56...(24) HA LEU 96 + HB3 LYS 95 OK 99 99 100 99 3.9-5.7 2.9/7317=44, ~7316=33...(36) HA LEU 96 + HB2 LYS 95 OK 98 99 100 99 4.0-4.9 2.9/7317=44, ~7317=33...(36) HD3 PRO 81 + HB3 PRO 81 OK 77 77 100 100 3.0-4.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 63 63 100 100 2.2-2.8 3.0=100 HA LYS 95 + HB2 LYS 95 OK 62 62 100 100 2.5-3.0 3.0=100 HA LEU 122 + HB3 LYS 95 OK 56 100 95 58 3.8-7.2 3862/4.6=18...(15) HA LEU 122 + HB2 LYS 95 OK 55 100 95 58 4.6-7.1 3862/4.6=18...(15) HA ARG 135 - HB3 PRO 81 poor 10 41 50 49 4.6-10.8 ~4336=12, ~7977=10...(10) HD3 PRO 81 - HB3 LYS 86 poor 10 38 25 - 5.7-9.1 HB3 SER 124 - HB3 LYS 95 far 4 87 5 - 6.8-9.5 HB3 SER 124 - HB2 LYS 95 far 4 86 5 - 6.5-9.1 HA LEU 119 - HB3 LYS 95 far 0 78 0 - 7.5-13.2 HA LEU 119 - HB2 PRO 58 far 0 60 0 - 8.9-15.3 HB2 SER 74 - HB2 LYS 95 far 0 82 0 - 9.1-12.2 HA LEU 119 - HB2 LYS 95 far 0 77 0 - 9.1-13.5 HB THR 65 - HB2 PRO 58 far 0 68 0 - 9.2-11.1 HB3 SER 74 - HB2 LYS 95 far 0 80 0 - 9.7-12.2 HB2 SER 74 - HB3 LYS 95 far 0 83 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2977 from cnoeabs.peaks (7.71, 1.94, 32.34 ppm; 5.05 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.0-3.7 4.0=100 H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.6 4.0=100 H GLN 101 - HB3 LYS 95 far 0 65 0 - 8.1-9.5 H GLN 101 - HB2 LYS 95 far 0 64 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 2978 from cnoeabs.peaks (4.02, 1.94, 32.34 ppm; 4.74 A): 8 out of 21 assignments used, quality = 1.00: * HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-2.8 3.0=100 HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 96 + HB3 LYS 95 OK 76 78 100 97 3.9-5.7 2.9/7317=36, ~7316=26...(36) HA LEU 96 + HB2 LYS 95 OK 75 77 100 97 4.0-4.9 2.9/7317=36, ~7317=26...(35) HA SER 60 + HB2 PRO 58 OK 74 79 95 98 4.7-6.7 ~9330=45, 2.8/9332=44...(17) HD3 PRO 81 + HB3 PRO 81 OK 65 65 100 100 3.0-4.0 3.0=100 HA ALA 92 + HB3 LYS 95 OK 61 63 100 98 3.8-5.2 ~9948=54, ~9948=31...(18) HA ALA 92 + HB2 LYS 95 OK 60 62 100 98 2.5-4.4 2.1/9948=52, ~9948=30...(20) HB3 SER 99 - HB3 LYS 95 poor 17 93 45 40 4.4-7.5 3.7/2987=12, ~3208=9...(7) HA ARG 135 - HB3 PRO 81 poor 10 82 30 39 4.6-10.8 ~4336=9, ~7977=8...(10) HB3 SER 99 - HB2 LYS 95 far 9 92 10 - 5.8-8.2 HA VAL 20 - HB2 PRO 58 far 2 44 5 - 6.1-33.6 HD3 PRO 81 - HB3 LYS 86 far 2 31 5 - 5.7-9.1 HB2 SER 124 - HB2 LYS 95 far 0 72 0 - 6.4-10.6 HB2 SER 124 - HB3 LYS 95 far 0 73 0 - 6.4-9.6 HB3 SER 124 - HB2 LYS 95 far 0 97 0 - 6.5-9.1 HB3 SER 124 - HB3 LYS 95 far 0 97 0 - 6.8-9.5 HA LEU 119 - HB3 LYS 95 far 0 99 0 - 7.5-13.2 HB2 SER 38 - HB3 PRO 81 far 0 81 0 - 8.1-16.8 HA LEU 119 - HB2 PRO 58 far 0 83 0 - 8.9-15.3 HA LEU 119 - HB2 LYS 95 far 0 99 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 2979 from cnoeabs.peaks (1.94, 1.94, 32.34 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 HB2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 HB3 PRO 81 + HB3 PRO 81 OK 79 79 - 100 HB2 PRO 58 + HB2 PRO 58 OK 77 77 - 100 HB3 LYS 86 + HB3 LYS 86 OK 31 31 - 100 Reference assignment not found: HB2 LYS 95 - HB3 LYS 95 Peak 2980 from cnoeabs.peaks (1.94, 1.94, 32.34 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 HB2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 HB3 PRO 81 + HB3 PRO 81 OK 81 81 - 100 HB2 PRO 58 + HB2 PRO 58 OK 80 80 - 100 HB3 LYS 86 + HB3 LYS 86 OK 34 34 - 100 Peak 2981 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 5.31 A): 9 out of 28 assignments used, quality = 1.00: * HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 97 98 100 98 4.3-6.1 3.8/7317=37, 3248/4.0=22...(42) HB2 LEU 96 + HB3 LYS 95 OK 92 99 95 98 4.8-7.1 3.8/7317=37, 3248/4.0=22...(43) HG LEU 96 + HB2 LYS 95 OK 45 97 50 93 4.0-7.3 5.0/7317=29...(26) HG LEU 96 + HB3 LYS 95 OK 36 97 40 92 4.9-8.2 5.0/7317=29...(25) QB ALA 109 + HB2 PRO 58 OK 33 85 40 98 2.4-15.7 10930/1.8=77...(5) HG2 LYS 19 - HB2 PRO 58 far 6 58 10 - 5.7-38.6 QB ALA 110 - HB3 LYS 95 far 5 100 5 - 6.4-21.9 QB ALA 29 - HB2 PRO 58 far 4 82 5 - 6.7-17.5 QB ALA 16 - HB2 PRO 58 far 3 69 5 - 5.1-32.3 QB ALA 12 - HB2 PRO 58 far 2 47 5 - 4.6-36.0 QB ALA 108 - HB2 PRO 58 lone 2 84 35 7 5.0-16.0 9359/11279=4, 9356/2985=1 QB ALA 110 - HB2 PRO 58 lone 1 83 30 3 2.1-17.2 10930/1.8=1 QB ALA 108 - HB3 LYS 95 far 0 100 0 - 7.2-19.3 HB3 LEU 100 - HB3 LYS 95 far 0 99 0 - 7.2-9.9 QB ALA 28 - HB2 PRO 58 far 0 84 0 - 7.3-22.0 HG2 LYS 24 - HB3 LYS 95 far 0 99 0 - 7.5-33.5 QB ALA 110 - HB2 LYS 95 far 0 99 0 - 7.7-22.5 QB ALA 15 - HB2 PRO 58 far 0 83 0 - 8.0-35.9 HB3 LEU 100 - HB2 LYS 95 far 0 98 0 - 8.0-10.6 QB ALA 108 - HB2 LYS 95 far 0 100 0 - 8.3-19.9 HG2 LYS 24 - HB2 LYS 95 far 0 98 0 - 8.6-33.5 HG3 LYS 26 - HB2 PRO 58 far 0 83 0 - 8.8-26.1 HB2 LEU 42 - HB3 PRO 81 far 0 78 0 - 9.5-14.8 QB ALA 28 - HB2 LYS 95 far 0 99 0 - 9.6-21.0 Violated in 0 structures by 0.00 A. Peak 2982 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 5.31 A): 9 out of 28 assignments used, quality = 1.00: * HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 97 99 100 98 4.3-6.1 3.8/7317=37, 3248/4.0=22...(43) HB2 LEU 96 + HB3 LYS 95 OK 93 100 95 98 4.8-7.1 3.8/7317=37, 3248/4.0=22...(43) HG LEU 96 + HB2 LYS 95 OK 44 95 50 93 4.0-7.3 5.0/7317=29, ~11441=26...(26) HG LEU 96 + HB3 LYS 95 OK 35 96 40 92 4.9-8.2 5.0/7317=29, ~11441=26...(25) QB ALA 109 + HB2 PRO 58 OK 33 84 40 98 2.4-15.7 10930/1.8=77...(5) HG2 LYS 19 - HB2 PRO 58 far 6 62 10 - 5.7-38.6 QB ALA 110 - HB3 LYS 95 far 5 100 5 - 6.4-21.9 QB ALA 29 - HB2 PRO 58 far 4 83 5 - 6.7-17.5 QB ALA 16 - HB2 PRO 58 far 3 66 5 - 5.1-32.3 QB ALA 12 - HB2 PRO 58 far 3 51 5 - 4.6-36.0 QB ALA 108 - HB2 PRO 58 lone 2 85 35 7 5.0-16.0 9359/11279=4, 9356/2985=1 QB ALA 110 - HB2 PRO 58 lone 1 84 30 3 2.1-17.2 10930/1.8=1 QB ALA 108 - HB3 LYS 95 far 0 100 0 - 7.2-19.3 HB3 LEU 100 - HB3 LYS 95 far 0 99 0 - 7.2-9.9 QB ALA 28 - HB2 PRO 58 far 0 85 0 - 7.3-22.0 HG2 LYS 24 - HB3 LYS 95 far 0 99 0 - 7.5-33.5 QB ALA 110 - HB2 LYS 95 far 0 100 0 - 7.7-22.5 QB ALA 15 - HB2 PRO 58 far 0 84 0 - 8.0-35.9 HB3 LEU 100 - HB2 LYS 95 far 0 99 0 - 8.0-10.6 QB ALA 108 - HB2 LYS 95 far 0 100 0 - 8.3-19.9 HG2 LYS 24 - HB2 LYS 95 far 0 99 0 - 8.6-33.5 HG3 LYS 26 - HB2 PRO 58 far 0 84 0 - 8.8-26.1 HB2 LEU 42 - HB3 PRO 81 far 0 80 0 - 9.5-14.8 QB ALA 28 - HB2 LYS 95 far 0 100 0 - 9.6-21.0 Violated in 0 structures by 0.00 A. Peak 2983 from cnoeabs.peaks (1.65, 1.94, 32.34 ppm; 4.79 A): 7 out of 33 assignments used, quality = 1.00: * HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 99 99 100 100 1.9-3.7 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 65 100 65 100 5.1-7.4 3158/3.0=81, ~2963=55...(24) HD2 LYS 86 + HB3 LYS 86 OK 41 41 100 100 2.0-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 41 41 100 100 2.5-4.0 3.5=100 HD2 LYS 39 - HB3 PRO 81 poor 13 53 25 - 5.2-12.1 HD3 LYS 24 - HB3 LYS 95 far 5 99 5 - 5.1-34.1 HD2 LYS 24 - HB3 LYS 95 far 5 99 5 - 5.6-35.2 HD3 LYS 24 - HB2 LYS 95 far 5 99 5 - 6.2-33.9 HD2 LYS 24 - HB2 LYS 95 far 5 98 5 - 6.2-35.0 HD3 LYS 26 - HB2 PRO 58 far 4 84 5 - 5.9-27.5 HD2 LYS 19 - HB2 PRO 58 far 4 83 5 - 5.6-37.7 HD3 LYS 86 - HB3 PRO 81 far 4 81 5 - 5.8-10.6 HG2 ARG 84 - HB3 LYS 86 far 2 32 5 - 5.5-9.6 HG3 ARG 84 - HB3 LYS 86 far 2 32 5 - 6.1-9.4 QB ALA 88 - HB3 LYS 86 far 0 40 0 - 6.3-6.9 HB2 LEU 98 - HB2 LYS 95 far 0 100 0 - 6.4-8.0 HD2 LYS 86 - HB3 PRO 81 far 0 81 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 67 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 67 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 83 0 - 7.0-28.1 HG3 ARG 23 - HB2 PRO 58 far 0 47 0 - 7.1-32.0 HD3 LYS 19 - HB2 PRO 58 far 0 83 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 83 0 - 7.4-9.0 QB ALA 88 - HB2 LYS 95 far 0 98 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 80 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 76 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 100 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 99 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 82 0 - 9.1-32.1 HB2 LEU 123 - HB2 LYS 95 far 0 99 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2984 from cnoeabs.peaks (1.66, 1.94, 32.34 ppm; 4.79 A): 7 out of 32 assignments used, quality = 1.00: * HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.0-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 64 99 65 100 5.1-7.4 3158/3.0=80, ~2963=55...(24) HD2 LYS 86 + HB3 LYS 86 OK 42 42 100 100 2.0-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 42 42 100 100 2.5-4.0 3.5=100 HD2 LYS 39 - HB3 PRO 81 poor 16 64 25 - 5.2-12.1 HD3 LYS 24 - HB3 LYS 95 far 5 100 5 - 5.1-34.1 HD2 LYS 24 - HB3 LYS 95 far 5 100 5 - 5.6-35.2 HD3 LYS 24 - HB2 LYS 95 far 5 100 5 - 6.2-33.9 HD2 LYS 24 - HB2 LYS 95 far 5 100 5 - 6.2-35.0 HD3 LYS 26 - HB2 PRO 58 far 4 85 5 - 5.9-27.5 HD3 LYS 86 - HB3 PRO 81 far 4 82 5 - 5.8-10.6 HD2 LYS 19 - HB2 PRO 58 far 4 79 5 - 5.6-37.7 HG2 ARG 84 - HB3 LYS 86 far 1 27 5 - 5.5-9.6 HG3 ARG 84 - HB3 LYS 86 far 1 27 5 - 6.1-9.4 QB ALA 88 - HB3 LYS 86 far 0 41 0 - 6.3-6.9 HB2 LEU 98 - HB2 LYS 95 far 0 98 0 - 6.4-8.0 HD2 LYS 86 - HB3 PRO 81 far 0 82 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 58 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 58 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 85 0 - 7.0-28.1 HD3 LYS 19 - HB2 PRO 58 far 0 79 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 78 0 - 7.4-9.0 QB ALA 88 - HB2 LYS 95 far 0 100 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 82 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 69 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 98 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 100 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 85 0 - 9.1-32.1 HB2 LEU 123 - HB2 LYS 95 far 0 97 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2985 from cnoeabs.peaks (2.88, 1.94, 32.34 ppm; 6.80 A): 5 out of 6 assignments used, quality = 1.00: HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 * HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 83 83 100 100 4.8-6.9 6718/4.3=97, 4.5/9332=59...(8) HB2 ASN 116 - HB2 PRO 58 far 4 44 10 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 2986 from cnoeabs.peaks (2.88, 1.94, 32.34 ppm; 6.80 A): 5 out of 6 assignments used, quality = 1.00: * HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 83 83 100 100 4.8-6.9 6718/4.3=97, 4.5/9332=59...(8) HB2 ASN 116 - HB2 PRO 58 far 4 44 10 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 2987 from cnoeabs.peaks (8.27, 1.94, 32.34 ppm; 6.73 A): 6 out of 16 assignments used, quality = 1.00: * H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.1-4.4 4.6=100 H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.5-4.0 4.6=100 H SER 99 + HB3 LYS 95 OK 85 89 100 96 4.4-6.2 2960/3.0=47, ~11341=28...(25) H SER 99 + HB2 LYS 95 OK 83 88 100 95 5.5-6.7 2960/3.0=47, ~11341=28...(21) H VAL 126 + HB2 LYS 95 OK 80 89 100 89 5.2-8.2 3.6/11650=46...(12) H VAL 126 + HB3 LYS 95 OK 75 90 95 88 6.0-8.3 4.7/11652=43...(12) H LEU 123 - HB2 LYS 95 poor 18 91 20 - 7.8-9.9 H ALA 110 - HB2 PRO 58 poor 18 51 35 - 2.5-19.3 H LEU 123 - HB3 LYS 95 poor 13 92 50 29 6.6-10.3 3999/11658=8...(7) H GLU 40 - HB3 PRO 81 far 12 80 15 - 8.0-14.9 H GLU 30 - HB2 PRO 58 far 4 77 5 - 7.9-25.1 H ARG 23 - HB2 PRO 58 far 2 44 5 - 6.5-31.3 H GLY 111 - HB2 PRO 58 lone 1 47 55 3 4.2-17.4 H ALA 110 - HB3 LYS 95 far 0 68 0 - 9.8-23.6 H LEU 43 - HB3 PRO 81 far 0 73 0 - 9.8-16.6 H ALA 29 - HB2 PRO 58 far 0 51 0 - 9.9-22.5 Violated in 0 structures by 0.00 A. Peak 2988 from cnoeabs.peaks (7.71, 1.39, 25.61 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HG2 LYS 95 OK 100 100 100 100 1.8-4.5 4.6=98, 7299/3.0=40...(38) H LYS 95 + HG3 LYS 95 OK 100 100 100 100 3.1-4.4 4.6=98, 7299/3.0=40...(40) H GLN 101 - HG3 LYS 95 far 0 65 0 - 9.0-10.9 H GLN 101 - HG2 LYS 95 far 0 65 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 2989 from cnoeabs.peaks (4.02, 1.39, 25.61 ppm; 4.11 A): 4 out of 14 assignments used, quality = 1.00: * HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.2-3.6 3.9=100 HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.1 3.9=100 HA ALA 92 + HG2 LYS 95 OK 56 63 100 89 2.0-5.3 ~9948=30, 2894/4.6=18...(22) HA ALA 92 + HG3 LYS 95 OK 36 62 65 89 2.6-6.2 ~9948=30, 2894/4.6=18...(20) HA LEU 96 - HG2 LYS 95 far 8 78 10 - 4.9-6.7 HB3 SER 99 - HG3 LYS 95 far 5 93 5 - 5.4-9.1 HA LEU 96 - HG3 LYS 95 far 4 78 5 - 3.9-6.6 HB2 SER 124 - HG3 LYS 95 far 0 73 0 - 6.5-12.1 HB3 SER 99 - HG2 LYS 95 far 0 93 0 - 6.5-9.5 HB2 SER 124 - HG2 LYS 95 far 0 73 0 - 7.3-11.0 HB3 SER 124 - HG3 LYS 95 far 0 97 0 - 7.7-10.9 HB3 SER 124 - HG2 LYS 95 far 0 97 0 - 8.0-10.3 HA LEU 119 - HG2 LYS 95 far 0 99 0 - 8.8-14.6 HA LEU 119 - HG3 LYS 95 far 0 99 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 2990 from cnoeabs.peaks (1.94, 1.39, 25.61 ppm; 4.47 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 - HG3 LYS 95 far 0 62 0 - 7.8-30.0 HB2 ARG 90 - HG2 LYS 95 far 0 73 0 - 7.8-12.1 HB3 ARG 90 - HG2 LYS 95 far 0 93 0 - 8.0-11.6 HB3 ARG 90 - HG3 LYS 95 far 0 93 0 - 9.4-12.2 HB2 GLN 27 - HG2 LYS 95 far 0 63 0 - 9.4-28.8 HB2 ARG 90 - HG3 LYS 95 far 0 73 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 2991 from cnoeabs.peaks (1.94, 1.39, 25.61 ppm; 4.47 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 - HG3 LYS 95 far 0 70 0 - 7.8-30.0 HB2 ARG 90 - HG2 LYS 95 far 0 65 0 - 7.8-12.1 HB3 ARG 90 - HG2 LYS 95 far 0 97 0 - 8.0-11.6 HB3 ARG 90 - HG3 LYS 95 far 0 96 0 - 9.4-12.2 HB2 GLN 27 - HG2 LYS 95 far 0 71 0 - 9.4-28.8 HB2 ARG 90 - HG3 LYS 95 far 0 65 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 2992 from cnoeabs.peaks (1.39, 1.39, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 HG3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 Peak 2993 from cnoeabs.peaks (1.39, 1.39, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 HG3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 Reference assignment not found: HG3 LYS 95 - HG2 LYS 95 Peak 2994 from cnoeabs.peaks (1.65, 1.39, 25.61 ppm; 3.56 A): 5 out of 12 assignments used, quality = 1.00: * HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 21 100 30 69 4.6-8.6 3158/3.9=39, ~3170=6...(17) HD3 LYS 24 - HG2 LYS 95 far 5 99 5 - 4.1-36.2 HD3 LYS 24 - HG3 LYS 95 far 5 99 5 - 3.7-36.4 HD2 LYS 24 - HG2 LYS 95 far 5 99 5 - 4.4-37.2 HD2 LYS 24 - HG3 LYS 95 far 5 99 5 - 3.4-37.4 HB2 LEU 98 - HG2 LYS 95 far 0 100 0 - 6.1-8.3 QB ALA 88 - HG2 LYS 95 far 0 99 0 - 7.7-9.9 QB ALA 88 - HG3 LYS 95 far 0 99 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 2995 from cnoeabs.peaks (1.66, 1.39, 25.61 ppm; 3.56 A): 5 out of 12 assignments used, quality = 1.00: * HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.3-2.9 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 20 99 30 69 4.6-8.6 3158/3.9=39, ~3170=6...(17) HD2 LYS 24 - HG3 LYS 95 far 5 100 5 - 3.4-37.4 HD3 LYS 24 - HG3 LYS 95 far 5 100 5 - 3.7-36.4 HD3 LYS 24 - HG2 LYS 95 far 5 100 5 - 4.1-36.2 HD2 LYS 24 - HG2 LYS 95 far 5 100 5 - 4.4-37.2 HB2 LEU 98 - HG2 LYS 95 far 0 99 0 - 6.1-8.3 QB ALA 88 - HG2 LYS 95 far 0 100 0 - 7.7-9.9 QB ALA 88 - HG3 LYS 95 far 0 100 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 2996 from cnoeabs.peaks (2.88, 1.39, 25.61 ppm; 5.09 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 * HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 2997 from cnoeabs.peaks (2.88, 1.39, 25.61 ppm; 5.09 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 2998 from cnoeabs.peaks (8.27, 1.39, 25.61 ppm; 6.48 A): 4 out of 9 assignments used, quality = 1.00: * H LEU 96 + HG2 LYS 95 OK 100 100 100 100 3.0-5.7 7316/3.0=49, 7317/3.0=49...(38) H LEU 96 + HG3 LYS 95 OK 100 100 100 100 3.2-5.3 7316/3.0=49, 7317/3.0=49...(40) H SER 99 + HG3 LYS 95 OK 80 88 100 91 5.4-7.8 2960/3.9=43, 7386/4.6=21...(16) H SER 99 + HG2 LYS 95 OK 78 89 100 88 6.0-7.5 2960/3.9=43, 7386/4.6=21...(14) H VAL 126 - HG3 LYS 95 poor 18 90 20 - 4.9-10.6 H VAL 126 - HG2 LYS 95 poor 13 90 25 59 6.3-10.2 4.7/11448=35...(7) H LEU 123 - HG3 LYS 95 far 0 91 0 - 8.3-11.6 H LEU 123 - HG2 LYS 95 far 0 92 0 - 8.5-11.2 H ASP 131 - HG3 LYS 95 far 0 100 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 2999 from cnoeabs.peaks (7.71, 1.39, 25.61 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HG3 LYS 95 OK 100 100 100 100 3.1-4.4 4.6=98, 7299/3.0=40...(40) H LYS 95 + HG2 LYS 95 OK 100 100 100 100 1.8-4.5 4.6=98, 7299/3.0=40...(38) H GLN 101 - HG3 LYS 95 far 0 65 0 - 9.0-10.9 H GLN 101 - HG2 LYS 95 far 0 65 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 3000 from cnoeabs.peaks (4.02, 1.39, 25.61 ppm; 4.11 A): 4 out of 14 assignments used, quality = 1.00: * HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.1 3.9=100 HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.2-3.6 3.9=100 HA ALA 92 + HG2 LYS 95 OK 55 62 100 89 2.0-5.3 ~9948=30, 2894/4.6=18...(22) HA ALA 92 + HG3 LYS 95 OK 36 63 65 89 2.6-6.2 ~9948=30, 2894/4.6=18...(20) HA LEU 96 - HG2 LYS 95 far 8 78 10 - 4.9-6.7 HB3 SER 99 - HG3 LYS 95 far 5 93 5 - 5.4-9.1 HA LEU 96 - HG3 LYS 95 far 4 78 5 - 3.9-6.6 HB2 SER 124 - HG3 LYS 95 far 0 73 0 - 6.5-12.1 HB3 SER 99 - HG2 LYS 95 far 0 93 0 - 6.5-9.5 HB2 SER 124 - HG2 LYS 95 far 0 73 0 - 7.3-11.0 HB3 SER 124 - HG3 LYS 95 far 0 97 0 - 7.7-10.9 HB3 SER 124 - HG2 LYS 95 far 0 97 0 - 8.0-10.3 HA LEU 119 - HG2 LYS 95 far 0 99 0 - 8.8-14.6 HA LEU 119 - HG3 LYS 95 far 0 99 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 3001 from cnoeabs.peaks (1.94, 1.39, 25.61 ppm; 4.48 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 27 - HG3 LYS 95 far 0 63 0 - 7.8-30.0 HB2 ARG 90 - HG2 LYS 95 far 0 73 0 - 7.8-12.1 HB3 ARG 90 - HG2 LYS 95 far 0 93 0 - 8.0-11.6 HB3 ARG 90 - HG3 LYS 95 far 0 93 0 - 9.4-12.2 HB2 GLN 27 - HG2 LYS 95 far 0 62 0 - 9.4-28.8 HB2 ARG 90 - HG3 LYS 95 far 0 73 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3002 from cnoeabs.peaks (1.94, 1.39, 25.61 ppm; 4.47 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 - HG3 LYS 95 far 0 71 0 - 7.8-30.0 HB2 ARG 90 - HG2 LYS 95 far 0 65 0 - 7.8-12.1 HB3 ARG 90 - HG2 LYS 95 far 0 96 0 - 8.0-11.6 HB3 ARG 90 - HG3 LYS 95 far 0 97 0 - 9.4-12.2 HB2 GLN 27 - HG2 LYS 95 far 0 70 0 - 9.4-28.8 HB2 ARG 90 - HG3 LYS 95 far 0 65 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3003 from cnoeabs.peaks (1.39, 1.39, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 HG2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 Reference assignment not found: HG2 LYS 95 - HG3 LYS 95 Peak 3004 from cnoeabs.peaks (1.39, 1.39, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 HG2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 Peak 3005 from cnoeabs.peaks (1.65, 1.39, 25.61 ppm; 3.56 A): 5 out of 12 assignments used, quality = 1.00: * HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 21 100 30 69 4.6-8.6 3158/3.9=39, ~3170=6...(17) HD3 LYS 24 - HG3 LYS 95 far 5 99 5 - 3.7-36.4 HD2 LYS 24 - HG3 LYS 95 far 5 99 5 - 3.4-37.4 HD3 LYS 24 - HG2 LYS 95 far 5 99 5 - 4.1-36.2 HD2 LYS 24 - HG2 LYS 95 far 5 99 5 - 4.4-37.2 HB2 LEU 98 - HG2 LYS 95 far 0 100 0 - 6.1-8.3 QB ALA 88 - HG2 LYS 95 far 0 99 0 - 7.7-9.9 QB ALA 88 - HG3 LYS 95 far 0 99 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 3006 from cnoeabs.peaks (1.66, 1.39, 25.61 ppm; 3.56 A): 5 out of 12 assignments used, quality = 1.00: * HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.2-2.9 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 21 99 30 69 4.6-8.6 3158/3.9=39, ~3170=6...(17) HD2 LYS 24 - HG3 LYS 95 far 5 100 5 - 3.4-37.4 HD3 LYS 24 - HG3 LYS 95 far 5 100 5 - 3.7-36.4 HD3 LYS 24 - HG2 LYS 95 far 5 100 5 - 4.1-36.2 HD2 LYS 24 - HG2 LYS 95 far 5 100 5 - 4.4-37.2 HB2 LEU 98 - HG2 LYS 95 far 0 99 0 - 6.1-8.3 QB ALA 88 - HG2 LYS 95 far 0 100 0 - 7.7-9.9 QB ALA 88 - HG3 LYS 95 far 0 100 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 3007 from cnoeabs.peaks (2.88, 1.39, 25.61 ppm; 5.09 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 3008 from cnoeabs.peaks (2.88, 1.39, 25.61 ppm; 5.09 A): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 * HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 3009 from cnoeabs.peaks (8.27, 1.39, 25.61 ppm; 6.48 A): 4 out of 9 assignments used, quality = 1.00: * H LEU 96 + HG3 LYS 95 OK 100 100 100 100 3.2-5.3 7316/3.0=49, 7317/3.0=49...(40) H LEU 96 + HG2 LYS 95 OK 100 100 100 100 3.0-5.7 7316/3.0=49, 7317/3.0=49...(38) H SER 99 + HG3 LYS 95 OK 81 89 100 91 5.4-7.8 2960/3.9=43, 7386/4.6=21...(16) H SER 99 + HG2 LYS 95 OK 77 88 100 87 6.0-7.5 2960/3.9=43, 7386/4.6=21...(14) H VAL 126 - HG3 LYS 95 poor 18 90 20 - 4.9-10.6 H VAL 126 - HG2 LYS 95 poor 13 90 25 58 6.3-10.2 4.7/11448=35...(7) H LEU 123 - HG3 LYS 95 far 0 92 0 - 8.3-11.6 H LEU 123 - HG2 LYS 95 far 0 91 0 - 8.5-11.2 H ASP 131 - HG3 LYS 95 far 0 100 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 3010 from cnoeabs.peaks (7.71, 1.65, 29.32 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-4.8 5.5=75, 7304/1.8=48...(50) H LYS 95 + HD3 LYS 95 OK 99 99 100 100 1.8-4.7 5.5=75, 7303/1.8=48...(53) H GLN 101 - HD3 LYS 95 far 0 63 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 3011 from cnoeabs.peaks (4.02, 1.65, 29.32 ppm; 4.53 A): 4 out of 12 assignments used, quality = 1.00: * HA LYS 95 + HD2 LYS 95 OK 100 100 100 100 3.1-5.5 5.0=73, 2.9/7303=37...(30) HA LYS 95 + HD3 LYS 95 OK 99 99 100 100 1.9-4.9 5.0=73, 2.9/7303=37...(33) HA ALA 92 + HD3 LYS 95 OK 58 60 100 97 2.1-5.8 ~9950=25, 9941=24...(30) HA ALA 92 + HD2 LYS 95 OK 42 63 70 96 1.9-6.7 ~9950=25, ~11351=23...(26) HA LEU 96 - HD3 LYS 95 far 0 75 0 - 6.1-7.9 HA LEU 96 - HD2 LYS 95 far 0 78 0 - 6.1-7.9 HB2 SER 124 - HD2 LYS 95 far 0 73 0 - 6.3-12.5 HB3 SER 99 - HD3 LYS 95 far 0 91 0 - 6.6-9.9 HB3 SER 99 - HD2 LYS 95 far 0 93 0 - 7.4-10.6 HB2 SER 124 - HD3 LYS 95 far 0 70 0 - 7.8-12.4 HB3 SER 124 - HD2 LYS 95 far 0 97 0 - 7.9-12.4 HB3 SER 124 - HD3 LYS 95 far 0 95 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 3012 from cnoeabs.peaks (1.94, 1.65, 29.32 ppm; 4.39 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 1.9-3.7 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.8-3.8 3.7=100 HB3 ARG 90 - HD3 LYS 95 far 0 91 0 - 7.5-10.4 HB2 ARG 90 - HD3 LYS 95 far 0 70 0 - 7.6-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 93 0 - 7.7-11.3 HB2 ARG 90 - HD2 LYS 95 far 0 73 0 - 8.6-11.8 HB2 GLN 27 - HD2 LYS 95 far 0 63 0 - 9.2-30.8 Violated in 0 structures by 0.00 A. Peak 3013 from cnoeabs.peaks (1.94, 1.65, 29.32 ppm; 4.38 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.8-3.8 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 1.9-3.7 3.7=100 HB3 ARG 90 - HD3 LYS 95 far 0 94 0 - 7.5-10.4 HB2 ARG 90 - HD3 LYS 95 far 0 63 0 - 7.6-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 97 0 - 7.7-11.3 HB2 ARG 90 - HD2 LYS 95 far 0 65 0 - 8.6-11.8 HB2 GLN 27 - HD2 LYS 95 far 0 71 0 - 9.2-30.8 Violated in 0 structures by 0.00 A. Peak 3014 from cnoeabs.peaks (1.39, 1.65, 29.32 ppm; 6.72 A): 8 out of 17 assignments used, quality = 1.00: * HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HB2 LEU 96 + HD3 LYS 95 OK 85 97 95 92 5.9-9.0 3.2/11694=33...(18) HG LEU 96 + HD3 LYS 95 OK 64 95 75 90 5.8-9.4 2.1/11694=33...(18) HB2 LEU 96 + HD2 LYS 95 OK 40 99 45 89 5.6-9.4 ~11694=30, 3.8/7320=28...(17) HG LEU 96 + HD2 LYS 95 OK 38 97 45 86 5.0-10.2 11827/11449=34...(16) QB ALA 108 - HD3 LYS 95 far 10 99 10 - 7.1-21.1 QB ALA 108 - HD2 LYS 95 far 5 100 5 - 8.0-22.2 QB ALA 110 - HD3 LYS 95 far 5 98 5 - 7.8-24.3 HG2 LYS 24 - HD3 LYS 95 far 5 97 5 - 8.2-35.5 QB ALA 110 - HD2 LYS 95 far 0 100 0 - 8.4-24.2 HG2 LYS 24 - HD2 LYS 95 far 0 99 0 - 8.8-37.0 QB ALA 28 - HD2 LYS 95 far 0 100 0 - 9.3-24.3 HB3 LEU 100 - HD3 LYS 95 far 0 97 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 99 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3015 from cnoeabs.peaks (1.39, 1.65, 29.32 ppm; 6.59 A): 8 out of 17 assignments used, quality = 1.00: * HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 96 + HD3 LYS 95 OK 86 98 95 92 5.9-9.0 3.2/11694=33...(18) HG LEU 96 + HD3 LYS 95 OK 62 93 75 89 5.8-9.4 2.1/11694=33...(18) HG LEU 96 + HD2 LYS 95 OK 37 96 45 85 5.0-10.2 ~11694=33...(16) HB2 LEU 96 + HD2 LYS 95 OK 27 100 30 89 5.6-9.4 ~11694=30, 3.8/7320=28...(17) QB ALA 108 - HD3 LYS 95 far 10 99 10 - 7.1-21.1 QB ALA 108 - HD2 LYS 95 far 5 100 5 - 8.0-22.2 QB ALA 110 - HD3 LYS 95 far 5 99 5 - 7.8-24.3 HG2 LYS 24 - HD3 LYS 95 far 0 98 0 - 8.2-35.5 QB ALA 110 - HD2 LYS 95 far 0 100 0 - 8.4-24.2 HG2 LYS 24 - HD2 LYS 95 far 0 99 0 - 8.8-37.0 QB ALA 28 - HD2 LYS 95 far 0 100 0 - 9.3-24.3 HB3 LEU 100 - HD3 LYS 95 far 0 98 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 99 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3016 from cnoeabs.peaks (1.65, 1.65, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 95 + HD2 LYS 95 OK 100 100 - 100 HD3 LYS 95 + HD3 LYS 95 OK 98 98 - 100 Peak 3017 from cnoeabs.peaks (1.66, 1.65, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 95 + HD2 LYS 95 OK 100 100 - 100 HD3 LYS 95 + HD3 LYS 95 OK 99 99 - 100 Reference assignment not found: HD3 LYS 95 - HD2 LYS 95 Peak 3018 from cnoeabs.peaks (2.88, 1.65, 29.32 ppm; 4.48 A): 4 out of 5 assignments used, quality = 1.00: HE3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HB3 ASP 131 - HD2 LYS 95 far 0 93 0 - 9.1-17.0 Violated in 0 structures by 0.00 A. Peak 3019 from cnoeabs.peaks (2.88, 1.65, 29.32 ppm; 4.48 A): 4 out of 5 assignments used, quality = 1.00: * HE3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HB3 ASP 131 - HD2 LYS 95 far 0 93 0 - 9.1-17.0 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (8.27, 1.65, 29.32 ppm; 6.80 A): 5 out of 8 assignments used, quality = 1.00: * H LEU 96 + HD2 LYS 95 OK 100 100 100 100 4.1-6.3 3.1/7303=50, 7316/3.7=48...(37) H LEU 96 + HD3 LYS 95 OK 99 99 100 100 3.7-6.4 11425/9828=77...(40) H SER 99 + HD3 LYS 95 OK 68 86 85 93 5.9-8.9 2960/5.0=40, 7386/5.5=20...(17) H SER 99 + HD2 LYS 95 OK 55 89 70 88 6.8-8.7 2960/5.0=40, 7386/5.5=20...(15) H VAL 126 + HD3 LYS 95 OK 24 87 30 92 7.6-10.8 4.7/11651=48...(12) H VAL 126 - HD2 LYS 95 far 14 90 15 - 6.2-12.0 H ASP 131 - HD2 LYS 95 far 0 100 0 - 9.1-16.3 H LEU 123 - HD2 LYS 95 far 0 92 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 3021 from cnoeabs.peaks (7.71, 1.66, 29.32 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 95 + HD3 LYS 95 OK 100 100 100 100 1.8-4.7 5.5=75, 7303/1.8=48...(53) H LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-4.8 5.5=75, 7304/1.8=48...(50) H GLN 101 - HD3 LYS 95 far 0 65 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 3022 from cnoeabs.peaks (4.02, 1.66, 29.32 ppm; 4.53 A): 4 out of 12 assignments used, quality = 1.00: * HA LYS 95 + HD3 LYS 95 OK 100 100 100 100 1.9-4.9 5.0=73, 2.9/7304=37...(33) HA LYS 95 + HD2 LYS 95 OK 99 99 100 100 3.1-5.5 5.0=73, 2.9/7304=37...(30) HA ALA 92 + HD3 LYS 95 OK 61 63 100 97 2.1-5.8 ~9950=25, ~11351=23...(30) HA ALA 92 + HD2 LYS 95 OK 40 60 70 96 1.9-6.7 ~9950=25, ~11351=23...(26) HA LEU 96 - HD3 LYS 95 far 0 78 0 - 6.1-7.9 HA LEU 96 - HD2 LYS 95 far 0 75 0 - 6.1-7.9 HB2 SER 124 - HD2 LYS 95 far 0 70 0 - 6.3-12.5 HB3 SER 99 - HD3 LYS 95 far 0 93 0 - 6.6-9.9 HB3 SER 99 - HD2 LYS 95 far 0 91 0 - 7.4-10.6 HB2 SER 124 - HD3 LYS 95 far 0 73 0 - 7.8-12.4 HB3 SER 124 - HD2 LYS 95 far 0 95 0 - 7.9-12.4 HB3 SER 124 - HD3 LYS 95 far 0 97 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 3023 from cnoeabs.peaks (1.94, 1.66, 29.32 ppm; 4.42 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.0-4.2 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 3.3-4.2 3.7=100 HB3 ARG 90 - HD3 LYS 95 far 0 93 0 - 7.5-10.4 HB2 ARG 90 - HD3 LYS 95 far 0 73 0 - 7.6-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 91 0 - 7.7-11.3 HB2 ARG 90 - HD2 LYS 95 far 0 70 0 - 8.6-11.8 HB2 GLN 27 - HD2 LYS 95 far 0 60 0 - 9.2-30.8 Violated in 0 structures by 0.00 A. Peak 3024 from cnoeabs.peaks (1.94, 1.66, 29.32 ppm; 4.41 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 3.3-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.0-4.2 3.7=100 HB3 ARG 90 - HD3 LYS 95 far 0 97 0 - 7.5-10.4 HB2 ARG 90 - HD3 LYS 95 far 0 65 0 - 7.6-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 94 0 - 7.7-11.3 HB2 ARG 90 - HD2 LYS 95 far 0 63 0 - 8.6-11.8 HB2 GLN 27 - HD2 LYS 95 far 0 68 0 - 9.2-30.8 Violated in 0 structures by 0.00 A. Peak 3025 from cnoeabs.peaks (1.39, 1.66, 29.32 ppm; 6.80 A): 8 out of 17 assignments used, quality = 1.00: * HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-2.9 2.9=100 HB2 LEU 96 + HD3 LYS 95 OK 87 99 95 93 5.9-9.0 3.2/11694=33...(18) HG LEU 96 + HD3 LYS 95 OK 70 97 80 89 5.8-9.4 2.1/11694=33...(18) HB2 LEU 96 + HD2 LYS 95 OK 43 97 50 89 5.6-9.4 ~11694=31, 3.8/7321=29...(17) HG LEU 96 + HD2 LYS 95 OK 37 95 45 86 5.0-10.2 11827/11449=35...(16) QB ALA 108 - HD3 LYS 95 far 10 100 10 - 7.1-21.1 QB ALA 110 - HD3 LYS 95 far 5 100 5 - 7.8-24.3 QB ALA 108 - HD2 LYS 95 far 5 99 5 - 8.0-22.2 HG2 LYS 24 - HD3 LYS 95 far 5 99 5 - 8.2-35.5 QB ALA 110 - HD2 LYS 95 far 0 98 0 - 8.4-24.2 HG2 LYS 24 - HD2 LYS 95 far 0 97 0 - 8.8-37.0 QB ALA 28 - HD2 LYS 95 far 0 98 0 - 9.3-24.3 HB3 LEU 100 - HD3 LYS 95 far 0 99 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 97 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3026 from cnoeabs.peaks (1.39, 1.66, 29.32 ppm; 6.76 A): 8 out of 17 assignments used, quality = 1.00: * HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-2.9 2.9=100 HB2 LEU 96 + HD3 LYS 95 OK 88 100 95 92 5.9-9.0 3.2/11694=33...(18) HG LEU 96 + HD3 LYS 95 OK 68 96 80 89 5.8-9.4 2.1/11694=33...(18) HB2 LEU 96 + HD2 LYS 95 OK 44 98 50 89 5.6-9.4 ~11694=30, 3.8/7321=29...(17) HG LEU 96 + HD2 LYS 95 OK 36 93 45 85 5.0-10.2 11827/11449=34...(16) QB ALA 108 - HD3 LYS 95 far 10 100 10 - 7.1-21.1 QB ALA 110 - HD3 LYS 95 far 5 100 5 - 7.8-24.3 HG2 LYS 24 - HD3 LYS 95 far 5 99 5 - 8.2-35.5 QB ALA 108 - HD2 LYS 95 far 5 99 5 - 8.0-22.2 QB ALA 110 - HD2 LYS 95 far 0 99 0 - 8.4-24.2 HG2 LYS 24 - HD2 LYS 95 far 0 98 0 - 8.8-37.0 QB ALA 28 - HD2 LYS 95 far 0 99 0 - 9.3-24.3 HB3 LEU 100 - HD3 LYS 95 far 0 99 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 98 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3027 from cnoeabs.peaks (1.65, 1.66, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 HD2 LYS 95 + HD2 LYS 95 OK 99 99 - 100 Reference assignment not found: HD2 LYS 95 - HD3 LYS 95 Peak 3028 from cnoeabs.peaks (1.66, 1.66, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 HD2 LYS 95 + HD2 LYS 95 OK 98 98 - 100 Peak 3029 from cnoeabs.peaks (2.88, 1.66, 29.32 ppm; 4.50 A): 4 out of 5 assignments used, quality = 1.00: * HE2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.5-3.0 3.0=100 HB3 ASP 131 - HD2 LYS 95 far 0 91 0 - 9.1-17.0 Violated in 0 structures by 0.00 A. Peak 3030 from cnoeabs.peaks (2.88, 1.66, 29.32 ppm; 4.50 A): 4 out of 5 assignments used, quality = 1.00: HE2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.5-3.0 3.0=100 HB3 ASP 131 - HD2 LYS 95 far 0 91 0 - 9.1-17.0 Violated in 0 structures by 0.00 A. Peak 3031 from cnoeabs.peaks (8.27, 1.66, 29.32 ppm; 6.80 A): 5 out of 8 assignments used, quality = 1.00: * H LEU 96 + HD3 LYS 95 OK 100 100 100 100 3.7-6.4 11425/9828=76...(40) H LEU 96 + HD2 LYS 95 OK 99 99 100 100 4.1-6.3 3.1/7304=50, 7316/3.7=48...(37) H SER 99 + HD3 LYS 95 OK 70 89 85 93 5.9-8.9 2960/5.0=40, 7386/5.5=20...(17) H SER 99 + HD2 LYS 95 OK 53 86 70 88 6.8-8.7 2960/5.0=40, 7386/5.5=20...(14) H VAL 126 + HD3 LYS 95 OK 24 90 30 90 7.6-10.8 4.7/11651=43...(12) H VAL 126 - HD2 LYS 95 far 13 87 15 - 6.2-12.0 H ASP 131 - HD2 LYS 95 far 0 98 0 - 9.1-16.3 H LEU 123 - HD2 LYS 95 far 0 89 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 3032 from cnoeabs.peaks (7.71, 2.88, 41.80 ppm; 5.03 A): 2 out of 4 assignments used, quality = 1.00: H LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.5-4.8 7304/3.0=42, 7303/3.0=42...(38) * H LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.7-5.2 7304/3.0=42, 7303/3.0=42...(39) H GLN 101 - HE3 LYS 95 far 0 65 0 - 8.9-11.9 H GLN 101 - HE2 LYS 95 far 0 65 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 3033 from cnoeabs.peaks (4.02, 2.88, 41.80 ppm; 3.92 A): 4 out of 12 assignments used, quality = 1.00: * HA LYS 95 + HE2 LYS 95 OK 95 100 100 95 2.8-4.5 6.4=23, 3011/3.0=21...(24) HA LYS 95 + HE3 LYS 95 OK 95 100 100 95 2.4-5.0 6.4=23, 3011/3.0=21...(24) HA ALA 92 + HE3 LYS 95 OK 37 63 65 91 3.6-6.3 2.9/11351=33...(23) HA ALA 92 + HE2 LYS 95 OK 28 63 50 89 4.2-6.5 ~9950=24, ~11351=23...(22) HB2 SER 124 - HE2 LYS 95 far 0 73 0 - 5.7-14.1 HA LEU 96 - HE2 LYS 95 far 0 78 0 - 6.0-8.1 HA LEU 96 - HE3 LYS 95 far 0 78 0 - 6.2-8.7 HB3 SER 99 - HE3 LYS 95 far 0 93 0 - 7.1-11.7 HB3 SER 124 - HE2 LYS 95 far 0 97 0 - 7.1-12.6 HB2 SER 124 - HE3 LYS 95 far 0 73 0 - 7.4-14.7 HB3 SER 99 - HE2 LYS 95 far 0 93 0 - 7.7-11.0 HB3 SER 124 - HE3 LYS 95 far 0 97 0 - 8.9-13.2 Violated in 0 structures by 0.00 A. Peak 3034 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 4.40 A): 4 out of 10 assignments used, quality = 1.00: HB2 LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.2-4.6 5.3=57, 3.0/3044=29...(23) * HB2 LYS 95 + HE2 LYS 95 OK 98 100 100 98 2.1-4.2 5.3=57, 3.0/3033=29...(23) HB3 LYS 95 + HE3 LYS 95 OK 98 100 100 98 2.0-5.4 5.3=57, 3.0/3044=29...(22) HB3 LYS 95 + HE2 LYS 95 OK 98 100 100 98 2.5-5.1 5.3=57, 3.0/3033=29...(22) HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 6.8-12.9 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 6.9-12.3 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 6.9-12.1 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 7.0-12.9 HB2 GLN 27 - HE2 LYS 95 far 0 63 0 - 7.4-31.8 HB2 GLN 27 - HE3 LYS 95 far 0 63 0 - 8.7-31.0 Violated in 0 structures by 0.00 A. Peak 3035 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 4.40 A): 4 out of 10 assignments used, quality = 1.00: HB2 LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.2-4.6 5.3=57, 3.0/3044=29...(23) HB2 LYS 95 + HE2 LYS 95 OK 98 100 100 98 2.1-4.2 5.3=57, 3.0/3033=29...(23) HB3 LYS 95 + HE3 LYS 95 OK 98 100 100 98 2.0-5.4 5.3=57, 3.0/3044=29...(22) * HB3 LYS 95 + HE2 LYS 95 OK 98 100 100 98 2.5-5.1 5.3=57, 3.0/3033=29...(22) HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 6.8-12.9 HB3 ARG 90 - HE3 LYS 95 far 0 97 0 - 6.9-12.3 HB3 ARG 90 - HE2 LYS 95 far 0 97 0 - 6.9-12.1 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 7.0-12.9 HB2 GLN 27 - HE2 LYS 95 far 0 71 0 - 7.4-31.8 HB2 GLN 27 - HE3 LYS 95 far 0 71 0 - 8.7-31.0 Violated in 0 structures by 0.00 A. Peak 3036 from cnoeabs.peaks (1.39, 2.88, 41.80 ppm; 4.08 A): 4 out of 20 assignments used, quality = 1.00: HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 * HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 QB ALA 108 - HE3 LYS 95 far 0 100 0 - 5.9-22.4 QB ALA 110 - HE3 LYS 95 far 0 100 0 - 5.9-25.2 HG LEU 96 - HE2 LYS 95 far 0 97 0 - 6.3-10.3 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 6.5-9.1 HG LEU 96 - HE3 LYS 95 far 0 97 0 - 6.5-10.0 QB ALA 110 - HE2 LYS 95 far 0 100 0 - 6.5-24.9 QB ALA 108 - HE2 LYS 95 far 0 100 0 - 7.0-21.6 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 7.2-9.9 HG2 LYS 24 - HE2 LYS 95 far 0 99 0 - 7.3-36.9 QB ALA 28 - HE2 LYS 95 far 0 100 0 - 7.5-24.0 QB ALA 28 - HE3 LYS 95 far 0 100 0 - 8.1-23.7 HG2 LYS 24 - HE3 LYS 95 far 0 99 0 - 8.8-36.3 HB3 LEU 100 - HE3 LYS 95 far 0 99 0 - 9.4-14.3 HB3 LEU 100 - HE2 LYS 95 far 0 99 0 - 9.7-13.0 QB ALA 29 - HE2 LYS 95 far 0 99 0 - 9.8-21.3 QB ALA 109 - HE3 LYS 95 far 0 100 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 3037 from cnoeabs.peaks (1.39, 2.88, 41.80 ppm; 4.08 A): 4 out of 20 assignments used, quality = 1.00: * HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 QB ALA 108 - HE3 LYS 95 far 0 100 0 - 5.9-22.4 QB ALA 110 - HE3 LYS 95 far 0 100 0 - 5.9-25.2 HG LEU 96 - HE2 LYS 95 far 0 96 0 - 6.3-10.3 HB2 LEU 96 - HE2 LYS 95 far 0 100 0 - 6.5-9.1 HG LEU 96 - HE3 LYS 95 far 0 96 0 - 6.5-10.0 QB ALA 110 - HE2 LYS 95 far 0 100 0 - 6.5-24.9 QB ALA 108 - HE2 LYS 95 far 0 100 0 - 7.0-21.6 HB2 LEU 96 - HE3 LYS 95 far 0 100 0 - 7.2-9.9 HG2 LYS 24 - HE2 LYS 95 far 0 99 0 - 7.3-36.9 QB ALA 28 - HE2 LYS 95 far 0 100 0 - 7.5-24.0 QB ALA 28 - HE3 LYS 95 far 0 100 0 - 8.1-23.7 HG2 LYS 24 - HE3 LYS 95 far 0 99 0 - 8.8-36.3 HB3 LEU 100 - HE3 LYS 95 far 0 99 0 - 9.4-14.3 HB3 LEU 100 - HE2 LYS 95 far 0 99 0 - 9.7-13.0 QB ALA 29 - HE2 LYS 95 far 0 100 0 - 9.8-21.3 QB ALA 109 - HE3 LYS 95 far 0 100 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 3038 from cnoeabs.peaks (1.65, 2.88, 41.80 ppm; 3.40 A): 4 out of 12 assignments used, quality = 1.00: HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 5 100 5 - 4.3-9.0 HD2 LYS 24 - HE2 LYS 95 far 5 99 5 - 4.3-36.7 HB2 LEU 98 - HE2 LYS 95 far 0 100 0 - 5.2-8.9 HD3 LYS 24 - HE2 LYS 95 far 0 99 0 - 5.3-37.9 HD2 LYS 24 - HE3 LYS 95 far 0 99 0 - 5.8-36.5 HD3 LYS 24 - HE3 LYS 95 far 0 99 0 - 6.8-37.4 QB ALA 88 - HE3 LYS 95 far 0 99 0 - 7.5-11.1 QB ALA 88 - HE2 LYS 95 far 0 99 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 3039 from cnoeabs.peaks (1.66, 2.88, 41.80 ppm; 3.40 A): 4 out of 12 assignments used, quality = 1.00: * HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 24 - HE2 LYS 95 far 5 100 5 - 4.3-36.7 HB2 LEU 98 - HE3 LYS 95 far 5 99 5 - 4.3-9.0 HB2 LEU 98 - HE2 LYS 95 far 0 99 0 - 5.2-8.9 HD3 LYS 24 - HE2 LYS 95 far 0 100 0 - 5.3-37.9 HD2 LYS 24 - HE3 LYS 95 far 0 100 0 - 5.8-36.5 HD3 LYS 24 - HE3 LYS 95 far 0 100 0 - 6.8-37.4 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 7.5-11.1 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 3040 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 * HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Peak 3041 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Reference assignment not found: HE3 LYS 95 - HE2 LYS 95 Peak 3042 from cnoeabs.peaks (8.27, 2.88, 41.80 ppm; 6.64 A): 4 out of 11 assignments used, quality = 1.00: H LEU 96 + HE3 LYS 95 OK 100 100 100 100 4.5-6.3 3.1/3032=47, 3.6/3044=47...(16) * H LEU 96 + HE2 LYS 95 OK 100 100 100 100 4.8-6.3 3.1/3032=47, 3.6/3033=47...(16) H SER 99 + HE2 LYS 95 OK 51 89 75 77 6.6-8.4 2960/6.4=31, 7386/6.7=16...(8) H SER 99 + HE3 LYS 95 OK 38 89 55 77 5.1-9.5 2960/6.4=31, 7386/6.7=16...(8) H VAL 126 - HE2 LYS 95 far 5 90 5 - 6.7-11.4 H VAL 126 - HE3 LYS 95 far 5 90 5 - 8.1-11.3 H ALA 110 - HE3 LYS 95 far 0 68 0 - 8.8-27.9 H LEU 123 - HE2 LYS 95 far 0 92 0 - 9.0-13.2 H LEU 123 - HE3 LYS 95 far 0 92 0 - 9.4-14.2 H ALA 29 - HE2 LYS 95 far 0 68 0 - 9.4-28.1 H ALA 110 - HE2 LYS 95 far 0 68 0 - 9.8-27.4 Violated in 0 structures by 0.00 A. Peak 3043 from cnoeabs.peaks (7.71, 2.88, 41.80 ppm; 5.03 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.5-4.8 7304/3.0=42, 7303/3.0=42...(38) H LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.7-5.2 7304/3.0=42, 7303/3.0=42...(39) H GLN 101 - HE3 LYS 95 far 0 65 0 - 8.9-11.9 H GLN 101 - HE2 LYS 95 far 0 65 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 3044 from cnoeabs.peaks (4.02, 2.88, 41.80 ppm; 3.92 A): 4 out of 12 assignments used, quality = 1.00: HA LYS 95 + HE2 LYS 95 OK 95 100 100 95 2.8-4.5 6.4=23, 3011/3.0=21...(24) * HA LYS 95 + HE3 LYS 95 OK 95 100 100 95 2.4-5.0 6.4=23, 3011/3.0=21...(24) HA ALA 92 + HE3 LYS 95 OK 37 63 65 91 3.6-6.3 2.9/11351=33...(23) HA ALA 92 + HE2 LYS 95 OK 28 63 50 89 4.2-6.5 ~9950=24, ~11351=23...(22) HB2 SER 124 - HE2 LYS 95 far 0 73 0 - 5.7-14.1 HA LEU 96 - HE2 LYS 95 far 0 78 0 - 6.0-8.1 HA LEU 96 - HE3 LYS 95 far 0 78 0 - 6.2-8.7 HB3 SER 99 - HE3 LYS 95 far 0 93 0 - 7.1-11.7 HB3 SER 124 - HE2 LYS 95 far 0 97 0 - 7.1-12.6 HB2 SER 124 - HE3 LYS 95 far 0 73 0 - 7.4-14.7 HB3 SER 99 - HE2 LYS 95 far 0 93 0 - 7.7-11.0 HB3 SER 124 - HE3 LYS 95 far 0 97 0 - 8.9-13.2 Violated in 0 structures by 0.00 A. Peak 3045 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 4.40 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.2-4.6 5.3=57, 3.0/3044=29...(23) HB2 LYS 95 + HE2 LYS 95 OK 98 100 100 98 2.1-4.2 5.3=57, 3.0/3033=29...(23) HB3 LYS 95 + HE3 LYS 95 OK 98 100 100 98 2.0-5.4 5.3=57, 3.0/3044=29...(22) HB3 LYS 95 + HE2 LYS 95 OK 98 100 100 98 2.5-5.1 5.3=57, 3.0/3033=29...(22) HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 6.8-12.9 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 6.9-12.3 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 6.9-12.1 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 7.0-12.9 HB2 GLN 27 - HE2 LYS 95 far 0 63 0 - 7.4-31.8 HB2 GLN 27 - HE3 LYS 95 far 0 63 0 - 8.7-31.0 Violated in 0 structures by 0.00 A. Peak 3046 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 4.40 A): 4 out of 10 assignments used, quality = 1.00: HB2 LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.2-4.6 5.3=57, 3.0/3044=29...(23) HB2 LYS 95 + HE2 LYS 95 OK 98 100 100 98 2.1-4.2 5.3=57, 3.0/3033=29...(23) * HB3 LYS 95 + HE3 LYS 95 OK 98 100 100 98 2.0-5.4 5.3=57, 3.0/3044=29...(22) HB3 LYS 95 + HE2 LYS 95 OK 98 100 100 98 2.5-5.1 5.3=57, 3.0/3033=29...(22) HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 6.8-12.9 HB3 ARG 90 - HE3 LYS 95 far 0 97 0 - 6.9-12.3 HB3 ARG 90 - HE2 LYS 95 far 0 97 0 - 6.9-12.1 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 7.0-12.9 HB2 GLN 27 - HE2 LYS 95 far 0 71 0 - 7.4-31.8 HB2 GLN 27 - HE3 LYS 95 far 0 71 0 - 8.7-31.0 Violated in 0 structures by 0.00 A. Peak 3047 from cnoeabs.peaks (1.39, 2.88, 41.80 ppm; 4.08 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 QB ALA 108 - HE3 LYS 95 far 0 100 0 - 5.9-22.4 QB ALA 110 - HE3 LYS 95 far 0 100 0 - 5.9-25.2 HG LEU 96 - HE2 LYS 95 far 0 97 0 - 6.3-10.3 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 6.5-9.1 HG LEU 96 - HE3 LYS 95 far 0 97 0 - 6.5-10.0 QB ALA 110 - HE2 LYS 95 far 0 100 0 - 6.5-24.9 QB ALA 108 - HE2 LYS 95 far 0 100 0 - 7.0-21.6 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 7.2-9.9 HG2 LYS 24 - HE2 LYS 95 far 0 99 0 - 7.3-36.9 QB ALA 28 - HE2 LYS 95 far 0 100 0 - 7.5-24.0 QB ALA 28 - HE3 LYS 95 far 0 100 0 - 8.1-23.7 HG2 LYS 24 - HE3 LYS 95 far 0 99 0 - 8.8-36.3 HB3 LEU 100 - HE3 LYS 95 far 0 99 0 - 9.4-14.3 HB3 LEU 100 - HE2 LYS 95 far 0 99 0 - 9.7-13.0 QB ALA 29 - HE2 LYS 95 far 0 99 0 - 9.8-21.3 QB ALA 109 - HE3 LYS 95 far 0 100 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 3048 from cnoeabs.peaks (1.39, 2.88, 41.80 ppm; 4.08 A): 4 out of 20 assignments used, quality = 1.00: HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 * HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 QB ALA 108 - HE3 LYS 95 far 0 100 0 - 5.9-22.4 QB ALA 110 - HE3 LYS 95 far 0 100 0 - 5.9-25.2 HG LEU 96 - HE2 LYS 95 far 0 96 0 - 6.3-10.3 HB2 LEU 96 - HE2 LYS 95 far 0 100 0 - 6.5-9.1 HG LEU 96 - HE3 LYS 95 far 0 96 0 - 6.5-10.0 QB ALA 110 - HE2 LYS 95 far 0 100 0 - 6.5-24.9 QB ALA 108 - HE2 LYS 95 far 0 100 0 - 7.0-21.6 HB2 LEU 96 - HE3 LYS 95 far 0 100 0 - 7.2-9.9 HG2 LYS 24 - HE2 LYS 95 far 0 99 0 - 7.3-36.9 QB ALA 28 - HE2 LYS 95 far 0 100 0 - 7.5-24.0 QB ALA 28 - HE3 LYS 95 far 0 100 0 - 8.1-23.7 HG2 LYS 24 - HE3 LYS 95 far 0 99 0 - 8.8-36.3 HB3 LEU 100 - HE3 LYS 95 far 0 99 0 - 9.4-14.3 HB3 LEU 100 - HE2 LYS 95 far 0 99 0 - 9.7-13.0 QB ALA 29 - HE2 LYS 95 far 0 100 0 - 9.8-21.3 QB ALA 109 - HE3 LYS 95 far 0 100 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 3049 from cnoeabs.peaks (1.65, 2.88, 41.80 ppm; 3.40 A): 4 out of 12 assignments used, quality = 1.00: * HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 98 - HE3 LYS 95 far 5 100 5 - 4.3-9.0 HD2 LYS 24 - HE2 LYS 95 far 5 99 5 - 4.3-36.7 HB2 LEU 98 - HE2 LYS 95 far 0 100 0 - 5.2-8.9 HD3 LYS 24 - HE2 LYS 95 far 0 99 0 - 5.3-37.9 HD2 LYS 24 - HE3 LYS 95 far 0 99 0 - 5.8-36.5 HD3 LYS 24 - HE3 LYS 95 far 0 99 0 - 6.8-37.4 QB ALA 88 - HE3 LYS 95 far 0 99 0 - 7.5-11.1 QB ALA 88 - HE2 LYS 95 far 0 99 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 3050 from cnoeabs.peaks (1.66, 2.88, 41.80 ppm; 3.40 A): 4 out of 12 assignments used, quality = 1.00: HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 24 - HE2 LYS 95 far 5 100 5 - 4.3-36.7 HB2 LEU 98 - HE3 LYS 95 far 5 99 5 - 4.3-9.0 HB2 LEU 98 - HE2 LYS 95 far 0 99 0 - 5.2-8.9 HD3 LYS 24 - HE2 LYS 95 far 0 100 0 - 5.3-37.9 HD2 LYS 24 - HE3 LYS 95 far 0 100 0 - 5.8-36.5 HD3 LYS 24 - HE3 LYS 95 far 0 100 0 - 6.8-37.4 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 7.5-11.1 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 3051 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Reference assignment not found: HE2 LYS 95 - HE3 LYS 95 Peak 3052 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Peak 3053 from cnoeabs.peaks (8.27, 2.88, 41.80 ppm; 6.64 A): 4 out of 11 assignments used, quality = 1.00: * H LEU 96 + HE3 LYS 95 OK 100 100 100 100 4.5-6.3 3.1/3032=47, 3.6/3044=47...(16) H LEU 96 + HE2 LYS 95 OK 100 100 100 100 4.8-6.3 3.1/3032=47, 3.6/3033=47...(16) H SER 99 + HE2 LYS 95 OK 51 89 75 77 6.6-8.4 2960/6.4=31, 7386/6.7=16...(8) H SER 99 + HE3 LYS 95 OK 38 89 55 77 5.1-9.5 2960/6.4=31, 7386/6.7=16...(8) H VAL 126 - HE2 LYS 95 far 5 90 5 - 6.7-11.4 H VAL 126 - HE3 LYS 95 far 5 90 5 - 8.1-11.3 H ALA 110 - HE3 LYS 95 far 0 68 0 - 8.8-27.9 H LEU 123 - HE2 LYS 95 far 0 92 0 - 9.0-13.2 H LEU 123 - HE3 LYS 95 far 0 92 0 - 9.4-14.2 H ALA 29 - HE2 LYS 95 far 0 68 0 - 9.4-28.1 H ALA 110 - HE2 LYS 95 far 0 68 0 - 9.8-27.4 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (8.27, 4.04, 58.64 ppm; 5.56 A): 10 out of 24 assignments used, quality = 1.00: * H LEU 96 + HA LEU 96 OK 100 100 100 100 2.7-2.9 2.9=100 H VAL 126 + HA LEU 96 OK 90 90 100 100 3.0-5.7 4.0/11689=67...(31) H LEU 96 + HA LEU 122 OK 89 89 100 99 4.0-5.7 7310=27, ~3855=24...(44) H SER 99 + HA LEU 96 OK 88 89 100 100 3.7-4.8 7337/3.6=39, 3.7/3214=38...(33) H LEU 123 + HA LEU 96 OK 84 92 100 91 4.8-6.2 3.3/3855=29...(21) H LEU 123 + HA LEU 122 OK 77 77 100 100 3.5-3.6 3.6=100 H VAL 126 + HA LEU 122 OK 75 76 100 100 3.1-4.3 3916/4.9=48...(24) H LEU 43 + HA GLU 44 OK 72 73 100 99 5.1-5.4 6535/3.6=76...(15) H SER 99 + HA LEU 122 OK 72 74 100 97 4.1-6.7 3.7/3214=42, 3.7/3208=37...(25) H LEU 49 + HA GLU 44 OK 25 45 65 86 6.4-7.4 4.0/6575=74...(6) H ALA 29 - HA GLU 44 far 7 49 15 - 6.1-22.5 H GLU 30 - HA GLU 44 far 4 75 5 - 7.0-22.0 H SER 99 - HA GLU 102 far 0 60 0 - 7.1-7.9 H LEU 69 - HA LEU 122 far 0 59 0 - 7.7-12.4 H GLU 40 - HA GLU 44 far 0 80 0 - 8.3-9.8 H ALA 110 - HA GLU 102 far 0 44 0 - 8.7-16.9 H ALA 110 - HA LEU 122 far 0 55 0 - 8.7-19.7 H ARG 23 - HA GLU 102 far 0 38 0 - 8.9-36.4 H ASP 131 - HA GLU 44 far 0 81 0 - 9.0-11.0 H LEU 69 - HA LEU 96 far 0 73 0 - 9.4-11.2 H GLY 111 - HA GLU 102 far 0 40 0 - 9.7-17.5 H ALA 29 - HA LEU 96 far 0 68 0 - 9.8-20.6 H GLY 111 - HA LEU 122 far 0 50 0 - 9.9-19.6 H LEU 69 - HA GLU 44 far 0 53 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 3055 from cnoeabs.peaks (4.04, 4.04, 58.64 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LEU 96 + HA LEU 96 OK 100 100 - 100 HA LEU 122 + HA LEU 122 OK 86 86 - 100 HA GLU 44 + HA GLU 44 OK 80 80 - 100 HA GLU 102 + HA GLU 102 OK 71 71 - 100 Peak 3056 from cnoeabs.peaks (1.38, 4.04, 58.64 ppm; 5.72 A): 9 out of 39 assignments used, quality = 1.00: * HB2 LEU 96 + HA LEU 96 OK 100 100 100 100 2.2-2.7 3.0=100 HG3 LYS 95 + HA LEU 96 OK 99 100 100 99 3.9-6.6 ~7316=28, ~7317=28...(34) HG2 LYS 95 + HA LEU 96 OK 98 99 100 99 4.9-6.7 ~7316=28, ~7317=28...(34) HB3 LEU 100 + HA LEU 96 OK 97 100 100 97 3.4-6.5 3241/3.6=35, 3240/5.0=29...(27) HB2 LEU 96 + HA LEU 122 OK 89 89 100 100 1.8-5.9 1.8/3057=27...(51) HB3 LEU 100 + HA LEU 122 OK 89 89 100 100 3.9-5.5 10337/3.9=43...(42) HG LEU 96 + HA LEU 96 OK 89 89 100 100 3.5-3.8 3.7=100 HG LEU 96 + HA LEU 122 OK 71 74 100 97 3.4-6.4 3.0/3057=25...(30) QB ALA 29 + HA GLU 44 OK 23 82 35 80 4.2-17.7 10948/1418=78...(3) HG3 LYS 95 - HA LEU 122 poor 17 88 55 34 5.3-9.0 11448/3865=11...(9) HG2 LYS 95 - HA LEU 122 poor 13 87 45 33 6.0-9.0 11448/3865=12...(8) QB ALA 108 - HA GLU 102 far 11 74 15 - 5.9-11.4 QB ALA 28 - HA GLU 44 far 8 82 10 - 5.1-20.4 QB ALA 110 - HA LEU 96 far 5 100 5 - 6.9-19.0 QB ALA 110 - HA LEU 122 far 4 89 5 - 5.6-18.4 HG3 LYS 26 - HA GLU 102 far 4 75 5 - 4.8-28.7 QB ALA 110 - HA GLU 102 far 4 75 5 - 6.7-16.3 HG3 LYS 26 - HA GLU 44 far 0 82 0 - 7.3-29.1 QB ALA 108 - HA LEU 96 far 0 100 0 - 7.4-16.7 HB2 LEU 42 - HA GLU 44 far 0 82 0 - 7.5-8.4 QB ALA 15 - HA GLU 44 far 0 82 0 - 7.5-30.6 QB ALA 12 - HA GLU 44 far 0 60 0 - 7.5-32.3 QB ALA 108 - HA LEU 122 far 0 88 0 - 7.5-15.8 HG3 LYS 31 - HA GLU 44 far 0 77 0 - 7.6-24.3 QB ALA 29 - HA GLU 102 far 0 75 0 - 7.7-18.3 QB ALA 109 - HA GLU 102 far 0 71 0 - 7.7-13.7 HB3 LEU 100 - HA GLU 102 far 0 75 0 - 8.0-8.3 HG2 LYS 19 - HA GLU 44 far 0 69 0 - 8.6-38.6 QB ALA 28 - HA GLU 102 far 0 74 0 - 8.6-22.4 QB ALA 29 - HA LEU 96 far 0 100 0 - 8.8-16.5 HG2 LYS 36 - HA GLU 44 far 0 82 0 - 8.8-16.1 QB ALA 16 - HA GLU 44 far 0 53 0 - 8.9-28.4 QB ALA 16 - HA GLU 102 far 0 48 0 - 8.9-36.9 QB ALA 15 - HA GLU 102 far 0 75 0 - 9.0-38.4 HG2 LYS 24 - HA GLU 44 far 0 82 0 - 9.4-29.7 QB ALA 12 - HA GLU 102 far 0 53 0 - 9.7-40.2 HG2 LYS 24 - HA LEU 96 far 0 100 0 - 9.8-30.4 QB ALA 109 - HA LEU 122 far 0 86 0 - 9.8-16.1 HG2 LYS 24 - HA LEU 122 far 0 89 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 3057 from cnoeabs.peaks (2.23, 4.04, 58.64 ppm; 4.30 A): 5 out of 24 assignments used, quality = 1.00: * HB3 LEU 96 + HA LEU 96 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 LEU 96 + HA LEU 122 OK 86 89 100 97 2.8-5.7 3.0/3084=16, 1.8/3067=14...(55) HB3 GLU 102 + HA GLU 102 OK 72 72 100 100 2.3-3.0 3.0=100 HB2 GLN 101 + HA GLU 102 OK 36 36 100 99 4.5-5.6 ~7449=49, ~3304=45...(34) HB VAL 105 + HA GLU 102 OK 24 38 65 99 4.1-7.5 2.1/10086=72...(13) HB3 GLN 104 - HA GLU 102 far 6 65 10 - 5.7-7.8 HB3 GLU 97 - HA LEU 96 far 0 83 0 - 6.3-6.6 HB3 GLU 97 - HA GLU 102 far 0 55 0 - 6.6-9.6 HB2 GLN 101 - HA LEU 96 far 0 57 0 - 6.7-9.5 HB3 GLU 128 - HA LEU 96 far 0 97 0 - 7.2-9.6 HB3 GLU 97 - HA LEU 122 far 0 68 0 - 7.4-8.8 HB3 GLN 127 - HA LEU 122 far 0 84 0 - 7.5-9.9 HB2 GLN 101 - HA LEU 122 far 0 45 0 - 7.6-10.3 HB3 GLN 104 - HA LEU 122 far 0 79 0 - 7.6-14.1 HB3 GLU 128 - HA LEU 122 far 0 83 0 - 7.7-9.5 HB3 GLN 104 - HA LEU 96 far 0 93 0 - 7.9-14.4 HG2 GLU 91 - HA LEU 96 far 0 98 0 - 8.0-11.7 HG2 GLU 91 - HA LEU 122 far 0 85 0 - 8.0-14.2 HB3 GLN 127 - HA LEU 96 far 0 97 0 - 8.2-11.8 HB3 GLN 127 - HA GLU 44 far 0 77 0 - 8.8-11.6 HB3 GLU 102 - HA LEU 122 far 0 87 0 - 8.8-12.2 HB3 GLU 102 - HA LEU 96 far 0 99 0 - 9.0-11.5 HG2 GLN 68 - HA LEU 122 far 0 88 0 - 9.1-16.2 HG2 GLN 68 - HA GLU 44 far 0 81 0 - 9.3-14.2 Violated in 0 structures by 0.00 A. Peak 3058 from cnoeabs.peaks (1.40, 4.04, 58.64 ppm; 6.80 A): 12 out of 37 assignments used, quality = 1.00: * HG LEU 96 + HA LEU 96 OK 100 100 100 100 3.5-3.8 3.7=100 HG2 LYS 95 + HA LEU 96 OK 97 97 100 100 4.9-6.7 ~7316=37, ~7317=37...(33) HG3 LYS 95 + HA LEU 96 OK 95 96 100 100 3.9-6.6 ~7316=37, ~7317=37...(35) HB2 LEU 96 + HA LEU 96 OK 89 89 100 100 2.2-2.7 3.0=100 HG LEU 96 + HA LEU 122 OK 88 89 100 99 3.4-6.4 11827/3865=38, 3084=27...(30) HB3 LEU 100 + HA LEU 96 OK 85 87 100 98 3.4-6.5 3241/3.6=34, 3.9/7388=32...(28) HB2 LEU 96 + HA LEU 122 OK 74 74 100 100 1.8-5.9 ~3855=33, 10337/3.9=31...(52) HB3 LEU 100 + HA LEU 122 OK 72 72 100 100 3.9-5.5 10337/3.9=47...(42) HB3 LEU 100 + HA GLU 102 OK 54 59 95 98 8.0-8.3 10048/4.8=78, ~7445=62...(14) HB2 LEU 42 + HA GLU 44 OK 52 63 95 86 7.5-8.4 ~9077=60, 11903/11898=44...(5) HG2 LYS 95 + HA LEU 122 OK 31 84 90 41 6.0-9.0 11448/3865=15...(7) HG3 LYS 95 + HA LEU 122 OK 31 82 90 42 5.3-9.0 11448/3865=14...(10) QB ALA 108 - HA LEU 96 poor 19 95 20 - 7.4-16.7 QB ALA 109 - HA GLU 102 poor 18 71 25 - 7.7-13.7 QB ALA 29 - HA GLU 44 poor 17 67 40 65 4.2-17.7 10948/3.7=62, 205/6575=2 QB ALA 108 - HA GLU 102 poor 15 66 35 64 5.9-11.4 10084/10086=58, ~3347=4...(5) QB ALA 28 - HA GLU 44 poor 14 72 20 - 5.1-20.4 HG3 LYS 26 - HA GLU 44 far 10 69 15 - 7.3-29.1 QB ALA 110 - HA GLU 102 far 6 63 10 - 6.7-16.3 QB ALA 29 - HA GLU 102 far 6 60 10 - 7.7-18.3 QB ALA 110 - HA LEU 96 far 5 92 5 - 6.9-19.0 HG3 LYS 31 - HA GLU 44 far 4 80 5 - 7.6-24.3 QB ALA 110 - HA LEU 122 far 4 77 5 - 5.6-18.4 QB ALA 15 - HA GLU 44 far 4 70 5 - 7.5-30.6 HG3 LYS 26 - HA GLU 102 far 3 62 5 - 4.8-28.7 QB ALA 108 - HA LEU 122 lone 1 80 25 3 7.5-15.8 QB ALA 28 - HA GLU 102 far 0 65 0 - 8.6-22.4 QB ALA 29 - HA LEU 96 far 0 89 0 - 8.8-16.5 HG2 LYS 36 - HA GLU 44 far 0 67 0 - 8.8-16.1 QB ALA 16 - HA GLU 44 far 0 80 0 - 8.9-28.4 QB ALA 16 - HA GLU 102 far 0 72 0 - 8.9-36.9 QB ALA 15 - HA GLU 102 far 0 63 0 - 9.0-38.4 HG2 LYS 24 - HA GLU 44 far 0 65 0 - 9.4-29.7 QB ALA 34 - HA GLU 44 far 0 60 0 - 9.7-13.9 HG2 LYS 24 - HA LEU 96 far 0 87 0 - 9.8-30.4 QB ALA 109 - HA LEU 122 far 0 85 0 - 9.8-16.1 HG2 LYS 24 - HA LEU 122 far 0 72 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 3059 from cnoeabs.peaks (0.75, 4.04, 58.64 ppm; 5.47 A): 9 out of 16 assignments used, quality = 1.00: * QD2 LEU 96 + HA LEU 96 OK 100 100 100 100 3.4-4.1 4.0=100 QG1 VAL 93 + HA LEU 96 OK 95 100 95 100 5.5-7.0 11432/2.9=84, ~11425=61...(33) QD2 LEU 96 + HA LEU 122 OK 86 89 100 96 3.1-6.1 9989/3865=27...(25) QD2 LEU 43 + HA GLU 44 OK 80 80 100 100 4.8-6.0 1390/2.8=88, 1345/4.9=71...(16) QD1 LEU 96 + HA LEU 96 OK 76 76 100 100 2.9-4.1 4.0=100 QD2 LEU 103 + HA GLU 102 OK 61 71 85 100 5.9-7.1 7477/3.6=79...(13) QD1 LEU 96 + HA LEU 122 OK 57 62 100 92 3.5-6.5 2.1/3084=26, 3.2/3057=23...(24) HG12 ILE 129 + HA LEU 96 OK 35 100 35 100 5.9-9.1 ~9982=61, ~11354=47...(23) QD2 LEU 103 + HA LEU 122 OK 34 86 60 66 5.9-8.8 11715/2.9=19...(15) QD1 ILE 32 - HA GLU 44 poor 18 45 40 - 4.4-15.1 QD2 LEU 103 - HA LEU 96 far 10 99 10 - 6.9-10.3 QG1 VAL 93 - HA LEU 122 far 9 89 10 - 6.4-8.7 HG12 ILE 129 - HA LEU 122 far 0 89 0 - 7.0-9.9 QD1 LEU 96 - HA GLU 102 far 0 49 0 - 7.8-11.3 QD2 LEU 96 - HA GLU 102 far 0 75 0 - 8.7-12.1 QD1 ILE 32 - HA GLU 102 far 0 40 0 - 9.7-18.8 Violated in 0 structures by 0.00 A. Peak 3060 from cnoeabs.peaks (0.77, 4.04, 58.64 ppm; 5.35 A): 10 out of 32 assignments used, quality = 1.00: * QD1 LEU 96 + HA LEU 96 OK 100 100 100 100 2.9-4.1 4.0=100 QD2 LEU 122 + HA LEU 96 OK 91 92 100 99 1.9-5.7 3901=27, 10337/3.0=26...(42) QD1 LEU 96 + HA LEU 122 OK 85 89 100 96 3.5-6.5 9987/3865=29...(27) QD2 LEU 122 + HA LEU 122 OK 77 77 100 100 2.1-4.1 3.9=100 QD2 LEU 96 + HA LEU 96 OK 76 76 100 100 3.4-4.1 4.0=100 QG1 VAL 93 + HA LEU 96 OK 74 78 95 100 5.5-7.0 ~11425=58, 11432/2.9=56...(32) QD1 LEU 103 + HA GLU 102 OK 69 70 100 100 5.1-6.7 7476/3.6=80...(14) QD2 LEU 43 + HA GLU 44 OK 67 67 100 100 4.8-6.0 1390/2.8=72, 1345/4.9=61...(16) QD2 LEU 96 + HA LEU 122 OK 57 62 100 92 3.1-6.1 2.1/3084=25, 3.2/3057=23...(24) QD1 ILE 32 + HA GLU 44 OK 30 81 40 92 4.4-15.1 10849/3.7=62...(8) HG12 ILE 129 - HA LEU 96 poor 20 78 25 - 5.9-9.1 QD1 LEU 53 - HA LEU 122 poor 18 64 55 51 5.0-8.5 3907/3.6=24, 3900/2.9=11...(10) QG1 VAL 63 - HA GLU 102 poor 17 69 25 - 6.1-8.7 QD2 LEU 49 - HA LEU 122 poor 17 57 30 - 5.2-8.8 QD2 LEU 49 - HA LEU 96 poor 14 71 20 - 6.4-8.7 QD1 LEU 53 - HA LEU 96 far 12 78 15 - 5.7-10.4 QG1 VAL 93 - HA LEU 122 far 6 64 10 - 6.4-8.7 QD2 LEU 49 - HA GLU 44 far 5 51 10 - 6.8-8.4 HG12 ILE 129 - HA LEU 122 far 0 64 0 - 7.0-9.9 QD1 ILE 37 - HA GLU 44 far 0 80 0 - 7.2-12.4 QD2 LEU 119 - HA LEU 122 far 0 48 0 - 7.2-9.1 QD1 LEU 103 - HA LEU 122 far 0 84 0 - 7.3-10.0 QD2 LEU 122 - HA GLU 102 far 0 63 0 - 7.7-10.3 QD1 LEU 96 - HA GLU 102 far 0 75 0 - 7.8-11.3 QG1 VAL 63 - HA LEU 122 far 0 83 0 - 8.0-10.9 QD1 LEU 103 - HA LEU 96 far 0 97 0 - 8.1-10.5 QD2 LEU 119 - HA LEU 96 far 0 60 0 - 8.6-10.9 QD2 LEU 96 - HA GLU 102 far 0 49 0 - 8.7-12.1 QG1 VAL 63 - HA LEU 96 far 0 97 0 - 8.7-10.8 QD1 ILE 32 - HA GLU 102 far 0 74 0 - 9.7-18.8 QD2 LEU 119 - HA GLU 102 far 0 38 0 - 9.8-12.9 QD1 ILE 37 - HA LEU 122 far 0 87 0 - 10.0-16.0 Violated in 0 structures by 0.00 A. Peak 3061 from cnoeabs.peaks (8.50, 4.04, 58.64 ppm; 5.22 A): 4 out of 9 assignments used, quality = 1.00: * H GLU 97 + HA LEU 96 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 100 + HA LEU 96 OK 94 95 100 99 3.0-5.0 3073/3.0=33, 7388=33...(28) H GLU 97 + HA LEU 122 OK 80 89 100 89 5.1-6.0 9998/3.0=25, 7338=22...(20) H LEU 100 + HA LEU 122 OK 79 80 100 99 3.9-5.2 4.5/3214=33, 7388=32...(35) H LEU 100 - HA GLU 102 poor 17 66 25 - 6.6-7.0 H HIS 5 - HA GLU 44 far 2 43 5 - 6.4-61.6 H HIS 4 - HA GLU 44 far 0 57 0 - 8.0-64.5 H SER 9 - HA GLU 44 far 0 75 0 - 8.5-49.5 H GLU 97 - HA GLU 102 far 0 75 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 3062 from cnoeabs.peaks (8.29, 4.04, 58.64 ppm; 4.65 A): 7 out of 22 assignments used, quality = 1.00: H VAL 126 + HA LEU 96 OK 99 100 100 99 3.0-5.7 4021/11689=54...(29) * H SER 99 + HA LEU 96 OK 98 100 100 98 3.7-4.8 7372=33, 7385/3.6=33...(32) H LEU 96 + HA LEU 96 OK 89 89 100 100 2.7-2.9 2.9=100 H VAL 126 + HA LEU 122 OK 88 89 100 99 3.1-4.3 3916/4.9=43...(23) H LEU 43 + HA GLU 44 OK 78 81 100 96 5.1-5.4 6535/3.6=61, 1254/3.0=30...(14) H SER 99 + HA LEU 122 OK 75 89 90 94 4.1-6.7 3.7/3214=32, 3.7/3208=29...(23) H LEU 96 + HA LEU 122 OK 71 74 100 97 4.0-5.7 7310=22, ~3855=17...(44) H LEU 49 - HA GLU 44 far 0 76 0 - 6.4-7.4 H GLU 30 - HA GLU 44 far 0 43 0 - 7.0-22.0 H SER 99 - HA GLU 102 far 0 75 0 - 7.1-7.9 H LEU 69 - HA LEU 122 far 0 87 0 - 7.7-12.4 H GLU 40 - HA GLU 44 far 0 76 0 - 8.3-9.8 H ALA 110 - HA GLU 102 far 0 71 0 - 8.7-16.9 H ALA 110 - HA LEU 122 far 0 85 0 - 8.7-19.7 H GLY 17 - HA GLU 44 far 0 45 0 - 9.0-35.2 H ASP 131 - HA GLU 44 far 0 60 0 - 9.0-11.0 H LEU 69 - HA LEU 96 far 0 99 0 - 9.4-11.2 H GLY 111 - HA GLU 102 far 0 69 0 - 9.7-17.5 H TYR 72 - HA LEU 122 far 0 45 0 - 9.7-13.2 H GLY 111 - HA LEU 122 far 0 83 0 - 9.9-19.6 H LEU 69 - HA GLU 44 far 0 80 0 - 10.0-12.1 H ALA 21 - HA GLU 102 far 0 62 0 - 10.0-40.8 Violated in 0 structures by 0.00 A. Peak 3063 from cnoeabs.peaks (3.76, 4.04, 58.64 ppm; 5.87 A): 7 out of 9 assignments used, quality = 1.00: HA GLU 97 + HA LEU 96 OK 100 100 100 100 4.6-4.8 5.0=100 * HB2 SER 99 + HA LEU 96 OK 98 100 100 98 2.8-5.2 1.8/3214=49, 3208=44...(23) HB2 SER 99 + HA LEU 122 OK 89 89 100 100 2.9-5.7 1.8/3214=53...(33) HA GLU 97 + HA LEU 122 OK 77 89 100 87 5.1-6.8 3115/3.0=26, 2.8/7338=20...(17) HA LEU 43 + HA GLU 44 OK 57 57 100 100 4.7-4.8 4.9=100 HB3 SER 130 + HA GLU 44 OK 39 70 75 74 5.6-7.9 10509/11900=40...(7) HA GLU 97 + HA GLU 102 OK 32 74 50 86 7.0-8.8 ~11237=59, ~3341=17...(10) HA SER 130 - HA GLU 44 far 0 55 0 - 7.6-9.8 HB2 SER 99 - HA GLU 102 far 0 75 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 3064 from cnoeabs.peaks (4.00, 4.04, 58.64 ppm; 4.35 A): 6 out of 24 assignments used, quality = 1.00: HA LYS 95 + HA LEU 96 OK 92 93 100 98 4.7-4.9 4.9=68, 2.9/7291=24...(31) * HB3 SER 99 + HA LEU 96 OK 91 100 100 91 3.2-5.5 3214=47, 1.8/3208=37...(19) HB3 SER 99 + HA LEU 122 OK 88 89 100 99 2.4-5.6 3214=53, 1.8/3208=38...(20) HA LEU 103 + HA GLU 102 OK 67 69 100 98 4.6-5.0 3.6/7484=64, ~7469=33...(18) HB3 SER 124 + HA LEU 122 OK 33 59 70 79 5.0-6.3 3974/4.9=28, 4.0/7760=25...(13) HB2 SER 124 + HA LEU 122 OK 20 84 30 81 5.4-6.9 3968/4.9=44, 4.0/7760=25...(11) HB3 SER 106 - HA GLU 102 poor 13 42 30 - 5.0-9.9 HA LYS 95 - HA LEU 122 poor 10 79 30 42 5.1-7.7 3.6/7310=14, 2961/7355=5...(12) HA LEU 119 - HA LEU 122 far 0 68 0 - 5.9-7.0 HB3 SER 124 - HA LEU 96 far 0 73 0 - 6.1-8.2 HB2 SER 124 - HA LEU 96 far 0 97 0 - 6.2-8.3 HA LEU 119 - HA LEU 96 far 0 83 0 - 6.4-9.4 HA ILE 37 - HA GLU 44 far 0 70 0 - 7.3-11.5 HB3 SER 51 - HA GLU 44 far 0 53 0 - 7.7-10.1 HB3 SER 99 - HA GLU 102 far 0 75 0 - 7.9-8.7 HA GLU 91 - HA LEU 96 far 0 71 0 - 8.9-10.1 HA VAL 20 - HA GLU 102 far 0 63 0 - 8.9-39.2 HA LEU 103 - HA LEU 122 far 0 83 0 - 9.1-11.6 HA SER 50 - HA LEU 122 far 0 85 0 - 9.3-10.9 HA LEU 103 - HA LEU 96 far 0 97 0 - 9.5-11.7 HA GLU 91 - HA LEU 122 far 0 57 0 - 9.5-12.8 HB2 SER 38 - HA GLU 44 far 0 78 0 - 9.6-11.1 HA SER 50 - HA GLU 44 far 0 78 0 - 9.7-10.5 HA LEU 119 - HA GLU 102 far 0 55 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 3066 from cnoeabs.peaks (8.27, 1.38, 41.04 ppm; 4.83 A): 6 out of 16 assignments used, quality = 1.00: * H LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.1-3.6 3.8=100 H VAL 126 + HB2 LEU 96 OK 88 90 100 98 1.9-4.6 ~11807=37, 3099/3.2=33...(24) H SER 99 + HB3 LEU 100 OK 71 71 100 100 4.9-6.0 3.4/7398=79, 7407/4.6=42...(32) H LEU 123 + HB3 LEU 100 OK 67 75 100 90 5.0-6.0 4.8/11421=52...(16) H LEU 123 + HB2 LEU 96 OK 33 92 50 71 5.3-8.5 3.6/3067=18, ~3855=16...(15) H SER 99 + HB2 LEU 96 OK 30 89 35 98 6.0-6.7 7337/4.4=27, 3.4/3073=27...(36) H VAL 126 - HB3 LEU 100 poor 15 73 20 - 6.0-7.8 H LEU 96 - HB3 LEU 100 far 4 87 5 - 5.9-8.6 H LEU 69 - HB3 LEU 100 far 0 57 0 - 7.8-9.3 H LEU 69 - HB2 LEU 96 far 0 73 0 - 8.2-9.9 H ASP 131 - HB2 LEU 96 far 0 100 0 - 9.1-11.1 H LEU 49 - HB3 LEU 100 far 0 48 0 - 9.6-13.9 H ALA 110 - HB3 LEU 100 far 0 53 0 - 9.6-17.5 H ALA 29 - HB3 LEU 100 far 0 53 0 - 9.7-18.2 H ALA 29 - HB2 LEU 96 far 0 68 0 - 9.9-19.8 H LEU 49 - HB2 LEU 96 far 0 63 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 3067 from cnoeabs.peaks (4.04, 1.38, 41.04 ppm; 5.38 A): 8 out of 20 assignments used, quality = 1.00: * HA LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.2-2.7 3.0=100 HA LEU 122 + HB2 LEU 96 OK 98 99 100 100 1.8-5.9 3331/1.8=33...(51) HA ALA 92 + HB2 LEU 96 OK 92 99 95 97 4.7-7.1 4.9/3065=48...(22) HA LEU 96 + HB3 LEU 100 OK 83 87 100 96 3.4-6.5 3.6/3241=28...(28) HA LEU 122 + HB3 LEU 100 OK 83 83 100 100 3.9-5.5 3.9/10337=40...(42) HA LYS 95 + HB2 LEU 96 OK 77 78 100 99 5.5-6.6 ~9975=33, 11441/3.2=25...(45) HA LEU 103 + HB3 LEU 100 OK 33 55 60 100 6.5-7.6 ~3228=42, ~7463=40...(40) HA LEU 119 + HB3 LEU 100 OK 27 73 70 53 5.0-7.5 11537/10262=29...(8) HB3 SER 74 - HB2 LEU 96 far 3 65 5 - 6.3-10.3 HB3 SER 124 - HB2 LEU 96 far 0 96 0 - 7.0-9.6 HB2 SER 74 - HB2 LEU 96 far 0 68 0 - 7.2-9.2 HB THR 65 - HB3 LEU 100 far 0 57 0 - 7.5-10.9 HA LYS 95 - HB3 LEU 100 far 0 61 0 - 7.7-9.6 HA GLU 102 - HB3 LEU 100 far 0 82 0 - 8.0-8.3 HA LEU 119 - HB2 LEU 96 far 0 90 0 - 8.2-11.5 HB2 SER 74 - HB3 LEU 100 far 0 53 0 - 8.6-12.2 HB3 SER 124 - HB3 LEU 100 far 0 79 0 - 8.6-10.2 HB THR 65 - HB2 LEU 96 far 0 73 0 - 9.3-12.8 HB3 SER 74 - HB3 LEU 100 far 0 50 0 - 9.7-12.9 HA ALA 92 - HB3 LEU 100 far 0 85 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 3068 from cnoeabs.peaks (1.38, 1.38, 41.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 96 + HB2 LEU 96 OK 100 100 - 100 HB3 LEU 100 + HB3 LEU 100 OK 87 87 - 100 Peak 3069 from cnoeabs.peaks (2.23, 1.38, 41.04 ppm; 4.77 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LEU 96 + HB2 LEU 96 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 96 + HB3 LEU 100 OK 38 87 45 96 3.5-7.7 ~11918=34, 4.4/3241=20...(32) HB3 GLU 97 - HB3 LEU 100 poor 20 65 30 - 5.8-8.0 HB3 GLN 104 - HB3 LEU 100 far 11 76 15 - 3.2-10.0 HB2 GLN 101 - HB3 LEU 100 poor 9 43 20 - 5.7-7.3 HB3 GLU 128 - HB2 LEU 96 far 5 97 5 - 6.1-9.2 HB3 GLU 97 - HB2 LEU 96 far 0 83 0 - 6.7-7.4 HB3 GLU 102 - HB3 LEU 100 far 0 84 0 - 7.2-8.8 HG2 GLU 91 - HB2 LEU 96 far 0 98 0 - 7.5-11.6 HB3 GLN 127 - HB2 LEU 96 far 0 97 0 - 7.6-10.2 HB2 GLN 101 - HB2 LEU 96 far 0 57 0 - 7.9-10.2 HB3 GLN 104 - HB2 LEU 96 far 0 93 0 - 8.3-15.5 HG2 GLN 68 - HB3 LEU 100 far 0 85 0 - 9.2-12.0 HB2 GLN 68 - HB3 LEU 100 far 0 71 0 - 9.3-10.9 HB VAL 105 - HB3 LEU 100 far 0 46 0 - 9.8-12.2 HG2 GLN 68 - HB2 LEU 96 far 0 100 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 3070 from cnoeabs.peaks (1.40, 1.38, 41.04 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HB2 LEU 96 + HB2 LEU 96 OK 89 89 - 100 HB3 LEU 100 + HB3 LEU 100 OK 69 69 - 100 Reference assignment not found: HG LEU 96 - HB2 LEU 96 Peak 3071 from cnoeabs.peaks (0.75, 1.38, 41.04 ppm; 4.26 A): 7 out of 12 assignments used, quality = 1.00: * QD2 LEU 96 + HB2 LEU 96 OK 100 100 100 100 1.9-3.2 3.2=100 QG1 VAL 93 + HB2 LEU 96 OK 95 100 95 100 3.3-5.9 11432/3.8=47...(42) QD1 LEU 96 + HB2 LEU 96 OK 76 76 100 100 2.3-3.2 3.2=100 QD2 LEU 103 + HB3 LEU 100 OK 74 83 90 99 3.0-6.2 11826/10259=35...(48) HG12 ILE 129 + HB2 LEU 96 OK 69 100 70 98 4.7-7.1 ~11354=34, ~11454=30...(29) QD2 LEU 96 + HB3 LEU 100 OK 37 87 45 94 5.0-8.1 ~11918=32, ~3235=18...(30) QD1 LEU 96 + HB3 LEU 100 OK 30 59 55 93 2.7-6.8 ~11918=32...(29) QG1 VAL 93 - HB3 LEU 100 far 0 87 0 - 7.1-9.9 QD2 LEU 103 - HB2 LEU 96 far 0 99 0 - 7.5-12.0 QD1 ILE 32 - HB3 LEU 100 far 0 48 0 - 8.3-12.7 QD1 ILE 32 - HB2 LEU 96 far 0 63 0 - 9.4-13.7 QD2 LEU 43 - HB2 LEU 96 far 0 99 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3072 from cnoeabs.peaks (0.77, 1.38, 41.04 ppm; 4.43 A): 10 out of 23 assignments used, quality = 1.00: * QD1 LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.3-3.2 3.2=100 QD2 LEU 122 + HB2 LEU 96 OK 86 92 95 99 1.8-7.0 10337=28, 3901/3.0=21...(60) QG1 VAL 93 + HB2 LEU 96 OK 78 78 100 100 3.3-5.9 3.2/3065=42, ~9971=37...(41) QD2 LEU 96 + HB2 LEU 96 OK 76 76 100 100 1.9-3.2 3.2=100 QD2 LEU 122 + HB3 LEU 100 OK 75 75 100 100 1.6-4.1 10337=42, 11388/3.2=32...(69) HG12 ILE 129 + HB2 LEU 96 OK 58 78 75 98 4.7-7.1 ~11354=37, ~11454=33...(29) QD1 LEU 96 + HB3 LEU 100 OK 46 87 55 98 2.7-6.8 ~11918=35...(33) QG1 VAL 63 + HB3 LEU 100 OK 36 80 45 100 4.0-6.7 10973/3.2=67...(25) QD2 LEU 96 + HB3 LEU 100 OK 33 59 60 94 5.0-8.1 ~11918=35, ~3235=20...(29) QD1 LEU 103 + HB3 LEU 100 OK 20 81 25 100 3.9-7.0 10069/10259=56...(44) QD2 LEU 49 - HB3 LEU 100 far 8 55 15 - 5.2-8.4 QD1 LEU 53 - HB3 LEU 100 poor 5 61 35 21 4.3-10.9 11639/11421=12...(6) QD2 LEU 49 - HB2 LEU 96 lone 3 71 30 14 5.0-8.7 11061/11916=6...(3) QD1 LEU 53 - HB2 LEU 96 far 0 78 0 - 6.0-9.6 QD2 LEU 119 - HB3 LEU 100 far 0 46 0 - 6.1-8.7 QG1 VAL 93 - HB3 LEU 100 far 0 61 0 - 7.1-9.9 QD1 ILE 32 - HB3 LEU 100 far 0 85 0 - 8.3-12.7 QG1 VAL 63 - HB2 LEU 96 far 0 97 0 - 8.8-11.4 QD2 LEU 119 - HB2 LEU 96 far 0 60 0 - 9.2-12.7 QD1 ILE 32 - HB2 LEU 96 far 0 100 0 - 9.4-13.7 QD1 LEU 103 - HB2 LEU 96 far 0 97 0 - 9.4-11.5 QD1 ILE 37 - HB2 LEU 96 far 0 99 0 - 9.7-13.3 QD2 LEU 43 - HB2 LEU 96 far 0 89 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3073 from cnoeabs.peaks (8.50, 1.38, 41.04 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: * H GLU 97 + HB2 LEU 96 OK 100 100 100 100 3.5-4.3 4.4=100 H LEU 100 + HB2 LEU 96 OK 94 95 100 100 5.1-7.0 3090/3.0=45, 3082/1.8=45...(42) H GLU 97 + HB3 LEU 100 OK 87 87 100 100 5.5-7.0 ~3115=94, ~10036=79...(31) H LEU 100 + HB3 LEU 100 OK 78 78 100 100 2.4-3.3 3.9=100 H VAL 132 - HB2 LEU 96 far 0 63 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 3074 from cnoeabs.peaks (3.25, 2.23, 41.04 ppm; 6.32 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + HB3 LEU 96 OK 100 100 100 100 1.9-4.5 11806/3.2=96...(49) Violated in 0 structures by 0.00 A. Peak 3075 from cnoeabs.peaks (8.27, 2.23, 41.04 ppm; 5.00 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.1-3.6 3.8=100 H VAL 126 + HB3 LEU 96 OK 90 90 100 100 2.8-4.6 ~11807=39, 3066/1.8=36...(30) H SER 99 + HB3 LEU 96 OK 56 89 65 97 5.8-6.7 7337/4.4=29, 7372/3.0=22...(34) H LEU 123 - HB3 LEU 96 poor 18 92 25 78 6.0-8.1 3.6/3057=19, ~3855=17...(17) H LEU 69 - HB3 LEU 96 far 0 73 0 - 7.1-10.3 H ALA 29 - HB3 LEU 96 far 0 68 0 - 8.9-20.7 H ASP 131 - HB3 LEU 96 far 0 100 0 - 9.0-11.8 H LEU 49 - HB3 LEU 96 far 0 63 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (4.04, 2.23, 41.04 ppm; 6.80 A): 7 out of 9 assignments used, quality = 1.00: * HA LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.3-2.8 3.0=100 HA ALA 92 + HB3 LEU 96 OK 99 99 100 100 4.1-7.2 9942/11354=70...(24) HA LEU 122 + HB3 LEU 96 OK 99 99 100 100 2.8-5.7 ~3855=33, 3057=27...(55) HA LYS 95 + HB3 LEU 96 OK 78 78 100 100 5.4-6.6 2.9/9975=51...(39) HB2 SER 74 + HB3 LEU 96 OK 55 68 85 96 6.3-9.0 ~11130=39, ~11710=31...(17) HB3 SER 74 + HB3 LEU 96 OK 31 65 50 96 6.6-9.9 ~11130=41, ~11710=31...(16) HB3 SER 124 + HB3 LEU 96 OK 21 96 40 56 7.5-9.6 4.5/10359=39...(9) HA LEU 119 - HB3 LEU 96 far 0 90 0 - 8.8-11.4 HB THR 65 - HB3 LEU 96 far 0 73 0 - 8.9-14.4 Violated in 0 structures by 0.00 A. Peak 3077 from cnoeabs.peaks (1.38, 2.23, 41.04 ppm; 4.49 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 96 + HB3 LEU 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 96 + HB3 LEU 96 OK 89 89 100 100 2.5-3.0 3.0=100 HB3 LEU 100 + HB3 LEU 96 OK 29 100 30 95 3.5-7.7 ~11918=29, 3069=23...(32) HG3 LYS 95 - HB3 LEU 96 far 10 100 10 - 5.3-8.3 HG2 LYS 95 - HB3 LEU 96 far 10 99 10 - 4.4-8.4 QB ALA 29 - HB3 LEU 96 far 0 100 0 - 8.1-16.3 QB ALA 110 - HB3 LEU 96 far 0 100 0 - 8.8-20.3 QB ALA 108 - HB3 LEU 96 far 0 100 0 - 9.2-18.0 QB ALA 28 - HB3 LEU 96 far 0 100 0 - 9.7-17.5 Violated in 0 structures by 0.00 A. Peak 3078 from cnoeabs.peaks (2.23, 2.23, 41.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 96 + HB3 LEU 96 OK 100 100 - 100 Peak 3079 from cnoeabs.peaks (1.40, 2.23, 41.04 ppm; 5.29 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 96 + HB3 LEU 96 OK 89 89 100 100 1.8-1.8 1.8=100 HB3 LEU 100 + HB3 LEU 96 OK 56 87 65 99 3.5-7.7 ~11918=42, 3069=23...(32) HG2 LYS 95 - HB3 LEU 96 far 10 97 10 - 4.4-8.4 HG3 LYS 95 - HB3 LEU 96 far 10 96 10 - 5.3-8.3 QB ALA 29 - HB3 LEU 96 far 0 89 0 - 8.1-16.3 QB ALA 110 - HB3 LEU 96 far 0 92 0 - 8.8-20.3 QB ALA 108 - HB3 LEU 96 far 0 95 0 - 9.2-18.0 QB ALA 28 - HB3 LEU 96 far 0 93 0 - 9.7-17.5 Violated in 0 structures by 0.00 A. Peak 3080 from cnoeabs.peaks (0.75, 2.23, 41.04 ppm; 4.51 A): 4 out of 7 assignments used, quality = 1.00: * QD2 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.2-3.2 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 95 100 95 100 3.8-6.2 9973=58, 11432/3.8=53...(37) QD1 LEU 96 + HB3 LEU 96 OK 76 76 100 100 2.0-3.2 3.2=100 HG12 ILE 129 + HB3 LEU 96 OK 64 100 65 98 4.2-7.6 2.1/11354=48...(30) QD2 LEU 103 - HB3 LEU 96 far 0 99 0 - 7.5-11.0 QD1 ILE 32 - HB3 LEU 96 far 0 63 0 - 8.7-14.7 QD2 LEU 43 - HB3 LEU 96 far 0 99 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 3081 from cnoeabs.peaks (0.77, 2.23, 41.04 ppm; 5.13 A): 5 out of 13 assignments used, quality = 1.00: * QD1 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 122 + HB3 LEU 96 OK 87 92 95 100 1.9-6.7 10337/1.8=28...(64) QG1 VAL 93 + HB3 LEU 96 OK 78 78 100 100 3.8-6.2 2.1/9971=62, 3.2/3074=47...(37) QD2 LEU 96 + HB3 LEU 96 OK 76 76 100 100 2.2-3.2 3.2=100 HG12 ILE 129 + HB3 LEU 96 OK 62 78 80 99 4.2-7.6 2.1/11354=65...(30) QD2 LEU 49 - HB3 LEU 96 lone 4 71 35 18 4.8-8.5 11061/11823=12...(3) QD1 LEU 53 - HB3 LEU 96 far 4 78 5 - 5.5-10.5 QD1 LEU 103 - HB3 LEU 96 far 0 97 0 - 8.2-12.3 QG1 VAL 63 - HB3 LEU 96 far 0 97 0 - 8.4-11.8 QD1 ILE 32 - HB3 LEU 96 far 0 100 0 - 8.7-14.7 QD2 LEU 119 - HB3 LEU 96 far 0 60 0 - 9.1-12.6 QD2 LEU 43 - HB3 LEU 96 far 0 89 0 - 9.7-12.0 QD1 ILE 37 - HB3 LEU 96 far 0 99 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 3082 from cnoeabs.peaks (8.50, 2.23, 41.04 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 97 + HB3 LEU 96 OK 100 100 100 100 3.3-4.0 4.4=100 H LEU 100 + HB3 LEU 96 OK 94 95 100 100 4.5-6.8 3073/1.8=48, 3090/3.0=43...(42) H VAL 132 - HB3 LEU 96 far 0 63 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 3083 from cnoeabs.peaks (8.27, 1.40, 27.00 ppm; 4.75 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 96 + HG LEU 96 OK 100 100 100 100 1.7-4.3 5.0=85, 3099/2.1=42...(35) H VAL 126 + HG LEU 96 OK 89 90 100 99 4.3-6.0 ~11807=45, 4.7/11827=44...(24) H SER 99 + HG LEU 96 OK 47 89 55 96 6.0-6.5 3.4/3090=24...(30) H LEU 123 - HG LEU 96 far 0 92 0 - 6.7-9.5 H LEU 69 - HG LEU 96 far 0 73 0 - 6.9-10.4 H ALA 29 - HG LEU 96 far 0 68 0 - 7.0-20.3 H GLU 30 - HG LEU 96 far 0 96 0 - 9.3-20.6 Violated in 0 structures by 0.00 A. Peak 3084 from cnoeabs.peaks (4.04, 1.40, 27.00 ppm; 4.42 A): 4 out of 8 assignments used, quality = 1.00: * HA LEU 96 + HG LEU 96 OK 100 100 100 100 3.5-3.8 3.7=100 HA LEU 122 + HG LEU 96 OK 62 99 70 90 3.4-6.4 3331/3.0=23...(29) HA ALA 92 + HG LEU 96 OK 37 99 40 94 4.7-8.5 4.9/11450=28...(23) HA LYS 95 + HG LEU 96 OK 29 78 40 91 4.9-7.1 3.6/3083=22...(32) HB3 SER 74 - HG LEU 96 poor 13 65 20 - 5.4-8.3 HB2 SER 74 - HG LEU 96 far 10 68 15 - 5.4-7.6 HB3 SER 124 - HG LEU 96 far 0 96 0 - 9.1-11.0 HA LEU 119 - HG LEU 96 far 0 90 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3085 from cnoeabs.peaks (1.38, 1.40, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.89: HG LEU 96 + HG LEU 96 OK 89 89 - 100 Reference assignment not found: HB2 LEU 96 - HG LEU 96 Peak 3086 from cnoeabs.peaks (2.23, 1.40, 27.00 ppm; 4.83 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 96 + HG LEU 96 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 GLU 97 + HG LEU 96 OK 83 83 100 100 4.6-6.0 1.8/11461=54, ~11451=51...(48) HB2 GLN 101 - HG LEU 96 far 6 57 10 - 6.0-8.8 HG2 GLU 91 - HG LEU 96 far 0 98 0 - 7.2-12.3 HB3 GLN 104 - HG LEU 96 far 0 93 0 - 7.3-15.5 HB3 GLU 128 - HG LEU 96 far 0 97 0 - 7.9-10.7 HG2 GLN 68 - HG LEU 96 far 0 100 0 - 8.8-13.7 HB2 GLN 68 - HG LEU 96 far 0 89 0 - 9.4-13.5 HB3 GLN 127 - HG LEU 96 far 0 97 0 - 9.8-11.8 HB3 GLU 102 - HG LEU 96 far 0 99 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 3087 from cnoeabs.peaks (1.40, 1.40, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 96 + HG LEU 96 OK 100 100 - 100 Peak 3088 from cnoeabs.peaks (0.75, 1.40, 27.00 ppm; 3.47 A): 3 out of 6 assignments used, quality = 1.00: * QD2 LEU 96 + HG LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 93 + HG LEU 96 OK 99 100 100 99 2.6-4.8 9973/3.0=23, 9974=23...(42) QD1 LEU 96 + HG LEU 96 OK 76 76 100 100 2.1-2.1 2.1=100 HG12 ILE 129 - HG LEU 96 far 0 100 0 - 5.1-7.9 QD1 ILE 32 - HG LEU 96 far 0 63 0 - 7.1-13.6 QD2 LEU 103 - HG LEU 96 far 0 99 0 - 7.5-11.6 Violated in 0 structures by 0.00 A. Peak 3089 from cnoeabs.peaks (0.77, 1.40, 27.00 ppm; 3.95 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 96 + HG LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 93 + HG LEU 96 OK 78 78 100 99 2.6-4.8 ~11806=30, ~11691=28...(41) QD2 LEU 96 + HG LEU 96 OK 76 76 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 96 OK 62 92 75 90 3.1-8.6 10337=23, 10337/3.0=17...(37) HG12 ILE 129 - HG LEU 96 far 12 78 15 - 5.1-7.9 QD2 LEU 49 - HG LEU 96 far 0 71 0 - 5.5-8.8 QD1 ILE 32 - HG LEU 96 far 0 100 0 - 7.1-13.6 QD1 LEU 53 - HG LEU 96 far 0 78 0 - 7.4-11.7 QG1 VAL 63 - HG LEU 96 far 0 97 0 - 7.7-11.0 QD1 LEU 103 - HG LEU 96 far 0 97 0 - 8.1-12.2 QD1 ILE 37 - HG LEU 96 far 0 99 0 - 8.3-12.5 QD2 LEU 119 - HG LEU 96 far 0 60 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 3090 from cnoeabs.peaks (8.50, 1.40, 27.00 ppm; 5.46 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HG LEU 96 OK 100 100 100 100 2.1-3.8 7330/5.0=73, 3106/2.1=72...(38) H LEU 100 + HG LEU 96 OK 94 95 100 100 5.1-7.0 7401/11918=61...(36) Violated in 0 structures by 0.00 A. Peak 3091 from cnoeabs.peaks (8.27, 0.75, 26.15 ppm; 4.22 A): 3 out of 10 assignments used, quality = 1.00: * H LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.0-3.9 5.1=58, 7311/11806=46...(36) H VAL 126 + QD2 LEU 96 OK 76 90 85 99 2.6-6.0 2.9/11807=54...(27) H SER 99 + QD2 LEU 96 OK 44 89 55 90 4.6-7.0 3.4/3098=20...(26) H LEU 123 - QD2 LEU 96 far 0 92 0 - 5.9-8.6 H LEU 69 - QD2 LEU 96 far 0 73 0 - 6.1-8.4 H ASP 131 - QD2 LEU 96 far 0 100 0 - 7.0-10.6 H ALA 29 - QD2 LEU 96 far 0 68 0 - 7.2-16.2 H LEU 49 - QD2 LEU 96 far 0 63 0 - 7.9-13.5 H GLU 30 - QD2 LEU 96 far 0 96 0 - 8.7-16.0 H LEU 43 - QD2 LEU 96 far 0 95 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 3092 from cnoeabs.peaks (4.04, 0.75, 26.15 ppm; 4.28 A): 6 out of 12 assignments used, quality = 1.00: * HA LEU 96 + QD2 LEU 96 OK 100 100 100 100 3.4-4.1 4.0=100 HA ALA 92 + QD2 LEU 96 OK 92 99 95 98 3.8-6.0 4.9/11806=40...(28) HA LEU 122 + QD2 LEU 96 OK 70 99 80 88 3.1-6.1 3331/3.2=21...(24) HB2 SER 74 + QD2 LEU 96 OK 52 68 95 80 3.3-5.8 ~11130=21, 3.0/9590=20...(17) HA LYS 95 + QD2 LEU 96 OK 44 78 60 94 4.2-6.7 3.6/3091=27, 11441=20...(33) HB3 SER 74 + QD2 LEU 96 OK 43 65 80 81 3.4-7.1 ~11130=22, 3.0/9590=20...(18) HB3 SER 124 - QD2 LEU 96 far 0 96 0 - 7.0-9.9 HB THR 65 - QD2 LEU 96 far 0 73 0 - 8.5-12.1 HA GLU 102 - QD2 LEU 96 far 0 98 0 - 8.7-12.1 HA LEU 119 - QD2 LEU 96 far 0 90 0 - 9.0-10.7 HA ILE 37 - QD2 LEU 96 far 0 81 0 - 9.1-14.6 HA LEU 103 - QD2 LEU 96 far 0 71 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 3093 from cnoeabs.peaks (1.38, 0.75, 26.15 ppm; 3.74 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 96 + QD2 LEU 96 OK 100 100 100 100 1.9-3.2 3.2=100 HG LEU 96 + QD2 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 HB3 LEU 100 - QD2 LEU 96 poor 20 100 20 - 5.0-8.1 HG2 LYS 95 - QD2 LEU 96 far 10 99 10 - 4.5-8.4 HG3 LYS 95 - QD2 LEU 96 far 5 100 5 - 4.6-8.0 QB ALA 29 - QD2 LEU 96 far 0 100 0 - 6.0-12.1 HB2 LEU 42 - QD2 LEU 96 far 0 100 0 - 7.4-11.4 HG2 LYS 36 - QD2 LEU 96 far 0 100 0 - 8.2-15.5 QB ALA 28 - QD2 LEU 96 far 0 100 0 - 8.4-15.0 QB ALA 108 - QD2 LEU 96 far 0 100 0 - 8.9-14.3 QB ALA 15 - QD2 LEU 96 far 0 100 0 - 9.0-29.1 QB ALA 110 - QD2 LEU 96 far 0 100 0 - 9.2-17.8 Violated in 0 structures by 0.00 A. Peak 3094 from cnoeabs.peaks (2.23, 0.75, 26.15 ppm; 3.90 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.2-3.2 3.2=100 HB3 GLU 97 + QD2 LEU 96 OK 45 83 55 100 3.3-6.6 3.0/11809=54...(33) HB2 GLN 101 - QD2 LEU 96 far 9 57 15 - 4.7-9.1 HB3 GLU 128 - QD2 LEU 96 far 5 97 5 - 5.4-9.1 HG2 GLU 91 - QD2 LEU 96 far 0 98 0 - 6.2-8.8 HB3 GLN 127 - QD2 LEU 96 far 0 97 0 - 6.9-10.8 HB3 GLN 104 - QD2 LEU 96 far 0 93 0 - 7.2-14.2 HG2 GLN 68 - QD2 LEU 96 far 0 100 0 - 7.4-10.9 HB3 GLU 102 - QD2 LEU 96 far 0 99 0 - 7.8-11.6 HB2 GLN 68 - QD2 LEU 96 far 0 89 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 3095 from cnoeabs.peaks (1.40, 0.75, 26.15 ppm; 3.31 A): 2 out of 14 assignments used, quality = 1.00: * HG LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 96 + QD2 LEU 96 OK 89 89 100 100 1.9-3.2 3.2=100 HG2 LYS 95 - QD2 LEU 96 far 10 97 10 - 4.5-8.4 HG3 LYS 95 - QD2 LEU 96 far 5 96 5 - 4.6-8.0 HB3 LEU 100 - QD2 LEU 96 far 0 87 0 - 5.0-8.1 QB ALA 29 - QD2 LEU 96 far 0 89 0 - 6.0-12.1 QB ALA 34 - QD2 LEU 96 far 0 81 0 - 7.3-15.0 HB2 LEU 42 - QD2 LEU 96 far 0 85 0 - 7.4-11.4 HG2 LYS 36 - QD2 LEU 96 far 0 89 0 - 8.2-15.5 QB ALA 28 - QD2 LEU 96 far 0 93 0 - 8.4-15.0 QB ALA 108 - QD2 LEU 96 far 0 95 0 - 8.9-14.3 QB ALA 15 - QD2 LEU 96 far 0 92 0 - 9.0-29.1 QB ALA 110 - QD2 LEU 96 far 0 92 0 - 9.2-17.8 HG2 LYS 86 - QD2 LEU 96 far 0 76 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3096 from cnoeabs.peaks (0.75, 0.75, 26.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 96 + QD2 LEU 96 OK 100 100 - 100 Peak 3097 from cnoeabs.peaks (0.77, 0.75, 26.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: QD2 LEU 96 + QD2 LEU 96 OK 76 76 - 100 Reference assignment not found: QD1 LEU 96 - QD2 LEU 96 Peak 3098 from cnoeabs.peaks (8.50, 0.75, 26.15 ppm; 4.48 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 97 + QD2 LEU 96 OK 100 100 100 100 1.5-4.2 2.8/11809=72...(33) H LEU 100 + QD2 LEU 96 OK 54 95 60 95 4.7-7.3 3090/2.1=25, 3073/3.2=24...(28) H VAL 132 - QD2 LEU 96 far 0 63 0 - 7.1-10.8 Violated in 0 structures by 0.00 A. Peak 3099 from cnoeabs.peaks (8.27, 0.77, 23.84 ppm; 3.86 A): 3 out of 19 assignments used, quality = 1.00: * H LEU 96 + QD1 LEU 96 OK 99 100 100 99 2.9-4.0 4.6=57, 7330/3106=37...(32) H VAL 126 + QD1 LEU 96 OK 88 90 100 97 3.0-5.3 2.9/11452=37...(26) H SER 99 + QD1 LEU 96 OK 27 89 35 88 4.6-7.2 7374/11451=15...(30) H ALA 110 - QD1 LEU 103 far 6 40 15 - 4.0-9.2 H GLY 111 - QD1 LEU 103 far 2 36 5 - 2.5-9.1 H LEU 69 - QD1 LEU 96 far 0 73 0 - 5.7-7.0 H LEU 123 - QD1 LEU 96 far 0 92 0 - 5.8-8.1 H LEU 123 - QD1 LEU 103 far 0 58 0 - 6.6-9.5 H ALA 29 - QD1 LEU 96 far 0 68 0 - 6.9-15.9 H SER 99 - QD1 LEU 103 far 0 55 0 - 7.1-8.7 H ASP 131 - QD1 LEU 96 far 0 100 0 - 7.4-10.3 H LEU 49 - QD1 LEU 96 far 0 63 0 - 8.3-11.7 H ALA 29 - QD1 LEU 103 far 0 40 0 - 8.3-18.5 H LEU 69 - QD1 LEU 103 far 0 43 0 - 8.9-12.9 H GLU 30 - QD1 LEU 96 far 0 96 0 - 9.1-16.2 H LEU 43 - QD1 LEU 96 far 0 95 0 - 9.2-11.8 H VAL 126 - QD1 LEU 103 far 0 57 0 - 9.4-12.6 H LEU 96 - QD1 LEU 103 far 0 69 0 - 9.8-12.2 H GLU 30 - QD1 LEU 103 far 0 62 0 - 9.9-18.8 Violated in 1 structures by 0.00 A. Peak 3100 from cnoeabs.peaks (4.04, 0.77, 23.84 ppm; 3.37 A): 5 out of 19 assignments used, quality = 0.99: * HA LEU 96 + QD1 LEU 96 OK 96 100 100 96 2.9-4.1 4.0=61, 3.6/3106=27...(29) HA LEU 103 + QD1 LEU 103 OK 40 41 100 97 2.0-3.8 4.1=57, 3.0/7476=40...(16) HB2 SER 74 + QD1 LEU 96 OK 27 68 65 62 3.1-6.0 1.8/11130=15...(16) HA LEU 122 + QD1 LEU 96 OK 21 99 30 70 3.5-6.5 3865/9987=14...(21) HB3 SER 74 + QD1 LEU 96 OK 20 65 50 62 3.0-7.3 1.8/11130=15...(16) HA ALA 92 - QD1 LEU 96 far 5 99 5 - 4.9-7.0 HA LEU 119 - QD1 LEU 103 far 0 57 0 - 4.9-7.5 HA LYS 95 - QD1 LEU 96 far 0 78 0 - 5.0-6.7 HA GLU 102 - QD1 LEU 103 far 0 65 0 - 5.1-6.7 HA LEU 119 - QD1 LEU 96 far 0 90 0 - 7.1-10.2 HA LEU 122 - QD1 LEU 103 far 0 66 0 - 7.3-10.0 HB THR 65 - QD1 LEU 103 far 0 43 0 - 7.5-12.3 HB3 SER 124 - QD1 LEU 96 far 0 96 0 - 7.7-10.0 HA GLU 102 - QD1 LEU 96 far 0 98 0 - 7.8-11.3 HA LEU 103 - QD1 LEU 96 far 0 71 0 - 7.8-12.2 HA LEU 96 - QD1 LEU 103 far 0 69 0 - 8.1-10.5 HB THR 65 - QD1 LEU 96 far 0 73 0 - 8.7-10.8 HA ILE 37 - QD1 LEU 96 far 0 81 0 - 8.8-12.9 HB3 SER 124 - QD1 LEU 103 far 0 62 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 3101 from cnoeabs.peaks (1.38, 0.77, 23.84 ppm; 3.38 A): 3 out of 24 assignments used, quality = 1.00: * HB2 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.3-3.2 3.2=100 HG LEU 96 + QD1 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 HB3 LEU 100 + QD1 LEU 96 OK 34 100 40 84 2.7-6.8 ~11918=19...(28) QB ALA 109 - QD1 LEU 103 poor 20 66 30 - 3.1-7.8 QB ALA 110 - QD1 LEU 103 far 10 69 15 - 1.8-9.4 QB ALA 108 - QD1 LEU 103 far 10 68 15 - 2.8-7.5 HB3 LEU 100 - QD1 LEU 103 far 7 69 10 - 3.9-7.0 HG2 LYS 95 - QD1 LEU 96 far 0 99 0 - 5.5-8.5 QB ALA 29 - QD1 LEU 96 far 0 100 0 - 5.6-11.8 HG3 LYS 95 - QD1 LEU 96 far 0 100 0 - 5.6-8.4 QB ALA 15 - QD1 LEU 103 far 0 69 0 - 6.0-31.9 QB ALA 28 - QD1 LEU 103 far 0 69 0 - 6.6-16.7 QB ALA 108 - QD1 LEU 96 far 0 100 0 - 7.2-14.4 HB2 LEU 42 - QD1 LEU 96 far 0 100 0 - 7.8-10.5 QB ALA 29 - QD1 LEU 103 far 0 69 0 - 8.1-13.8 QB ALA 110 - QD1 LEU 96 far 0 100 0 - 8.1-17.5 HG LEU 96 - QD1 LEU 103 far 0 55 0 - 8.1-12.2 QB ALA 28 - QD1 LEU 96 far 0 100 0 - 8.4-15.3 HG3 LYS 26 - QD1 LEU 103 far 0 69 0 - 8.5-22.5 QB ALA 16 - QD1 LEU 103 far 0 43 0 - 8.6-30.1 QB ALA 109 - QD1 LEU 96 far 0 99 0 - 9.0-15.3 HG2 LYS 36 - QD1 LEU 96 far 0 100 0 - 9.2-14.6 HB2 LEU 96 - QD1 LEU 103 far 0 69 0 - 9.4-11.5 QB ALA 12 - QD1 LEU 103 far 0 49 0 - 9.6-32.8 Violated in 0 structures by 0.00 A. Peak 3102 from cnoeabs.peaks (2.23, 0.77, 23.84 ppm; 3.87 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.0-3.2 3.2=100 HB3 GLU 97 + QD1 LEU 96 OK 37 83 45 100 3.4-6.1 3.0/11451=54...(40) HB3 GLN 104 + QD1 LEU 103 OK 32 59 55 97 2.7-7.0 11717/2.1=35, ~11828=29...(27) HB2 GLN 101 - QD1 LEU 96 poor 11 57 20 - 5.2-8.6 HB3 GLU 102 - QD1 LEU 103 far 7 67 10 - 5.1-6.9 HB2 GLN 101 - QD1 LEU 103 far 0 33 0 - 6.3-9.2 HB VAL 105 - QD1 LEU 103 far 0 34 0 - 6.4-8.4 HB3 GLU 128 - QD1 LEU 96 far 0 97 0 - 6.6-9.7 HG2 GLU 91 - QD1 LEU 96 far 0 98 0 - 7.0-9.8 HG2 GLN 68 - QD1 LEU 96 far 0 100 0 - 7.1-9.7 HB3 GLU 97 - QD1 LEU 103 far 0 50 0 - 7.2-11.9 HB3 GLN 104 - QD1 LEU 96 far 0 93 0 - 7.4-13.3 HB3 GLN 127 - QD1 LEU 96 far 0 97 0 - 7.4-10.1 HB3 GLU 102 - QD1 LEU 96 far 0 99 0 - 7.5-11.9 HB2 GLN 68 - QD1 LEU 96 far 0 89 0 - 7.8-9.3 HB3 LEU 96 - QD1 LEU 103 far 0 69 0 - 8.2-12.3 HB2 GLN 68 - QD1 LEU 103 far 0 55 0 - 9.2-13.4 HG2 GLN 68 - QD1 LEU 103 far 0 68 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 3103 from cnoeabs.peaks (1.40, 0.77, 23.84 ppm; 3.40 A): 3 out of 24 assignments used, quality = 1.00: * HG LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 96 + QD1 LEU 96 OK 89 89 100 100 2.3-3.2 3.2=100 HB3 LEU 100 + QD1 LEU 96 OK 29 87 40 83 2.7-6.8 ~11918=19...(27) QB ALA 109 - QD1 LEU 103 poor 19 65 30 - 3.1-7.8 QB ALA 108 - QD1 LEU 103 far 9 61 15 - 2.8-7.5 QB ALA 110 - QD1 LEU 103 far 9 58 15 - 1.8-9.4 HB3 LEU 100 - QD1 LEU 103 far 5 53 10 - 3.9-7.0 HG2 LYS 95 - QD1 LEU 96 far 0 97 0 - 5.5-8.5 QB ALA 29 - QD1 LEU 96 far 0 89 0 - 5.6-11.8 HG3 LYS 95 - QD1 LEU 96 far 0 96 0 - 5.6-8.4 QB ALA 15 - QD1 LEU 103 far 0 58 0 - 6.0-31.9 QB ALA 34 - QD1 LEU 96 far 0 81 0 - 6.2-14.1 QB ALA 28 - QD1 LEU 103 far 0 59 0 - 6.6-16.7 QB ALA 108 - QD1 LEU 96 far 0 95 0 - 7.2-14.4 HB2 LEU 42 - QD1 LEU 96 far 0 85 0 - 7.8-10.5 QB ALA 29 - QD1 LEU 103 far 0 55 0 - 8.1-13.8 QB ALA 110 - QD1 LEU 96 far 0 92 0 - 8.1-17.5 HG LEU 96 - QD1 LEU 103 far 0 69 0 - 8.1-12.2 QB ALA 28 - QD1 LEU 96 far 0 93 0 - 8.4-15.3 HG3 LYS 26 - QD1 LEU 103 far 0 57 0 - 8.5-22.5 QB ALA 16 - QD1 LEU 103 far 0 67 0 - 8.6-30.1 QB ALA 109 - QD1 LEU 96 far 0 98 0 - 9.0-15.3 HG2 LYS 36 - QD1 LEU 96 far 0 89 0 - 9.2-14.6 HB2 LEU 96 - QD1 LEU 103 far 0 55 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 3104 from cnoeabs.peaks (0.75, 0.77, 23.84 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: QD1 LEU 96 + QD1 LEU 96 OK 76 76 - 100 Reference assignment not found: QD2 LEU 96 - QD1 LEU 96 Peak 3105 from cnoeabs.peaks (0.77, 0.77, 23.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 96 + QD1 LEU 96 OK 100 100 - 100 QD1 LEU 103 + QD1 LEU 103 OK 64 64 - 100 Peak 3106 from cnoeabs.peaks (8.50, 0.77, 23.84 ppm; 4.45 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 97 + QD1 LEU 96 OK 100 100 100 100 1.6-4.3 2.8/11451=73...(35) H LEU 100 + QD1 LEU 96 OK 41 95 45 96 3.3-6.6 3098/2.1=27...(32) H LEU 100 - QD1 LEU 103 far 6 61 10 - 5.3-7.3 H VAL 132 - QD1 LEU 96 far 0 63 0 - 8.0-11.0 H GLU 97 - QD1 LEU 103 far 0 69 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 3107 from cnoeabs.peaks (8.50, 3.76, 59.92 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HA GLU 97 OK 100 100 100 100 2.8-2.9 2.8=100 H LEU 100 + HA GLU 97 OK 94 95 100 100 3.0-4.4 3.9/3115=59...(34) Violated in 0 structures by 0.00 A. Peak 3108 from cnoeabs.peaks (3.76, 3.76, 59.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 97 + HA GLU 97 OK 100 100 - 100 Peak 3109 from cnoeabs.peaks (2.14, 3.76, 59.92 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 97 + HA GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 69 - HA GLU 97 far 0 65 0 - 8.2-11.2 Violated in 0 structures by 0.00 A. Peak 3110 from cnoeabs.peaks (2.21, 3.76, 59.92 ppm; 3.65 A): 3 out of 6 assignments used, quality = 1.00: * HB3 GLU 97 + HA GLU 97 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 GLN 101 + HA GLU 97 OK 90 97 95 97 3.0-5.2 2.9/3112=22, 7359/3.6=19...(40) HB3 LEU 96 + HA GLU 97 OK 33 83 40 99 4.2-5.6 3.2/11451=47...(42) HB3 GLN 104 - HA GLU 97 far 0 99 0 - 6.1-11.0 HB2 GLN 104 - HA GLU 97 far 0 65 0 - 6.2-9.9 HB3 GLU 102 - HA GLU 97 far 0 95 0 - 6.5-9.6 Violated in 0 structures by 0.00 A. Peak 3111 from cnoeabs.peaks (2.27, 3.76, 59.92 ppm; 4.12 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 97 + HA GLU 97 OK 100 100 100 100 2.0-4.0 3.8=100 HB3 GLN 101 + HA GLU 97 OK 59 60 100 98 2.1-5.1 2.9/3112=28, 3122/3.0=24...(31) HG2 GLU 30 - HA GLU 97 far 0 90 0 - 9.3-22.6 Violated in 0 structures by 0.00 A. Peak 3112 from cnoeabs.peaks (2.42, 3.76, 59.92 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + HA GLU 97 OK 100 100 100 100 2.1-4.2 3.8=100 HG2 GLN 101 + HA GLU 97 OK 78 100 80 97 3.5-5.8 2.9/3110=26, 3123/3.0=23...(23) Violated in 0 structures by 0.00 A. Peak 3113 from cnoeabs.peaks (7.74, 3.76, 59.92 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HA GLU 97 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3114 from cnoeabs.peaks (8.49, 3.76, 59.92 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HA GLU 97 OK 100 100 100 100 3.0-4.4 3.9/3115=54...(34) H GLU 97 + HA GLU 97 OK 95 95 100 100 2.8-2.9 2.8=100 H LEU 70 - HA GLU 97 far 0 78 0 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 3115 from cnoeabs.peaks (1.82, 3.76, 59.92 ppm; 4.26 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 100 + HA GLU 97 OK 99 100 100 99 2.1-3.8 3.2/10036=65, 3231=42...(29) HB3 LEU 122 + HA GLU 97 OK 38 63 90 68 3.9-6.5 3267/10036=13...(21) HB3 LEU 103 - HA GLU 97 far 0 60 0 - 6.1-8.7 HB VAL 93 - HA GLU 97 far 0 99 0 - 7.1-9.3 HB3 LYS 26 - HA GLU 97 far 0 100 0 - 9.1-23.4 HB3 LEU 123 - HA GLU 97 far 0 81 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3116 from cnoeabs.peaks (1.38, 3.76, 59.92 ppm; 4.38 A): 3 out of 10 assignments used, quality = 1.00: HB2 LEU 96 + HA GLU 97 OK 100 100 100 100 4.6-5.7 3.2/11451=66...(47) * HB3 LEU 100 + HA GLU 97 OK 100 100 100 100 3.4-5.3 1.8/3115=88...(30) HG LEU 96 + HA GLU 97 OK 87 87 100 100 3.1-5.1 2.1/11451=80...(42) QB ALA 29 - HA GLU 97 far 5 100 5 - 5.4-14.6 QB ALA 108 - HA GLU 97 far 0 100 0 - 7.1-14.9 HG3 LYS 95 - HA GLU 97 far 0 99 0 - 7.8-9.7 HG2 LYS 95 - HA GLU 97 far 0 99 0 - 8.0-9.8 QB ALA 110 - HA GLU 97 far 0 100 0 - 8.3-20.1 QB ALA 28 - HA GLU 97 far 0 100 0 - 8.6-19.2 QB ALA 109 - HA GLU 97 far 0 98 0 - 9.2-15.8 Violated in 0 structures by 0.00 A. Peak 3117 from cnoeabs.peaks (4.23, 2.14, 28.66 ppm; 4.40 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 94 + HB2 GLU 97 OK 100 100 100 100 3.4-5.0 2936=100, 11457/2.9=73...(12) HA ALA 28 - HB2 GLU 97 far 0 100 0 - 6.1-24.0 HA HIS 67 - HB2 GLU 97 far 0 92 0 - 6.1-8.5 HA GLN 27 - HB2 GLU 97 far 0 97 0 - 6.2-25.7 HA ALA 29 - HB2 GLU 97 far 0 100 0 - 6.6-19.9 HA SER 99 - HB2 GLU 97 far 0 92 0 - 7.5-8.8 HA GLU 30 - HB2 GLU 97 far 0 99 0 - 7.8-21.5 Violated in 4 structures by 0.06 A. Peak 3118 from cnoeabs.peaks (8.50, 2.14, 28.66 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.2-2.8 7345=100, 3133/2.9=56...(17) H LEU 100 + HB2 GLU 97 OK 35 95 40 92 5.2-6.4 3126/1.8=26, 3114/3.0=24...(23) Violated in 0 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (3.76, 2.14, 28.66 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 99 - HB2 GLU 97 far 0 100 0 - 6.3-8.8 Violated in 0 structures by 0.00 A. Peak 3120 from cnoeabs.peaks (2.14, 2.14, 28.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 97 + HB2 GLU 97 OK 100 100 - 100 Peak 3121 from cnoeabs.peaks (2.21, 2.14, 28.66 ppm; 2.84 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 97 + HB2 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 + HB2 GLU 97 OK 22 97 25 91 3.1-5.7 ~3298=16, ~3298=16...(35) HB3 LEU 96 - HB2 GLU 97 far 0 83 0 - 4.5-6.1 HB3 GLU 102 - HB2 GLU 97 far 0 95 0 - 7.0-11.6 HB2 GLN 104 - HB2 GLU 97 far 0 65 0 - 8.1-12.3 HB3 GLN 104 - HB2 GLU 97 far 0 99 0 - 8.9-13.1 HG2 GLU 91 - HB2 GLU 97 far 0 97 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 3122 from cnoeabs.peaks (2.27, 2.14, 28.66 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 GLN 101 + HB2 GLU 97 OK 52 60 90 96 2.7-6.8 2.9/3123=19, 3298/1.8=18...(32) HG2 GLU 30 - HB2 GLU 97 far 0 90 0 - 7.0-24.5 Violated in 0 structures by 0.00 A. Peak 3123 from cnoeabs.peaks (2.42, 2.14, 28.66 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 97 OK 52 100 55 95 3.2-6.6 3307/1.8=25, 3112/3.0=20...(26) Violated in 0 structures by 0.00 A. Peak 3124 from cnoeabs.peaks (7.74, 2.14, 28.66 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HB2 GLU 97 OK 100 100 100 100 2.3-4.0 7358=100, 3.9/7345=61...(20) Violated in 0 structures by 0.00 A. Peak 3125 from cnoeabs.peaks (4.23, 2.21, 28.66 ppm; 4.45 A): 4 out of 14 assignments used, quality = 0.99: * HA SER 94 + HB3 GLU 97 OK 85 100 85 100 4.5-6.3 3117/1.8=91...(14) HA SER 99 + HB3 GLU 102 OK 70 70 100 100 3.4-5.4 3332/1.8=82, 3207=80...(14) HA SER 124 + HB3 GLU 128 OK 60 72 95 89 4.1-7.2 7838/3.6=40, 2937=31...(10) HA ARG 84 + HB2 GLN 82 OK 32 66 50 98 5.1-7.3 2.8/9778=65...(15) HA GLN 27 - HB3 GLU 97 far 5 97 5 - 4.8-25.9 HA ALA 28 - HB3 GLU 97 far 0 100 0 - 6.1-24.7 HA HIS 67 - HB3 GLU 97 far 0 92 0 - 6.4-8.8 HA ALA 29 - HB3 GLU 97 far 0 100 0 - 6.5-20.6 HA ALA 88 - HB3 GLU 128 far 0 38 0 - 6.8-10.9 HA SER 99 - HB3 GLU 97 far 0 92 0 - 7.0-8.4 HA GLN 27 - HB3 GLU 102 far 0 75 0 - 7.5-28.9 HA GLU 30 - HB3 GLU 97 far 0 99 0 - 7.6-21.3 HA HIS 67 - HB3 GLU 102 far 0 70 0 - 9.7-12.2 HA SER 94 - HB3 GLU 102 far 0 82 0 - 9.9-13.1 Violated in 1 structures by 0.00 A. Peak 3126 from cnoeabs.peaks (8.50, 2.21, 28.66 ppm; 4.05 A): 3 out of 9 assignments used, quality = 1.00: * H GLU 97 + HB3 GLU 97 OK 100 100 100 100 3.2-3.6 4.0=100 H LEU 100 + HB3 GLU 97 OK 78 95 85 97 4.7-6.4 3.1/7417=32, 3118/1.8=32...(30) H LEU 100 + HB3 GLU 102 OK 36 73 60 83 5.2-7.2 3.6/3207=45, 7403/3.8=29...(15) H VAL 132 - HB3 GLU 128 far 2 40 5 - 5.5-6.8 H HIS 5 - HB2 GLN 82 far 2 39 5 - 5.1-72.6 H HIS 4 - HB2 GLN 82 far 0 53 0 - 7.1-74.8 H GLU 97 - HB3 GLU 102 far 0 82 0 - 7.7-10.5 H VAL 132 - HB2 GLN 82 far 0 41 0 - 8.8-13.7 H GLU 97 - HB3 GLU 128 far 0 75 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 3127 from cnoeabs.peaks (3.76, 2.21, 28.66 ppm; 3.96 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.4-2.9 3.0=100 HA THR 83 + HB2 GLN 82 OK 29 64 50 90 4.5-6.1 3.6/9778=45, ~9765=24...(16) HA VAL 133 - HB2 GLN 82 far 11 76 15 - 5.0-10.1 HB2 SER 99 - HB3 GLU 102 far 0 81 0 - 6.0-8.1 HA GLU 97 - HB3 GLU 102 far 0 82 0 - 6.5-9.6 HB2 SER 99 - HB3 GLU 97 far 0 100 0 - 6.8-8.3 HB3 SER 130 - HB3 GLU 128 far 0 68 0 - 7.1-8.3 HA SER 130 - HB3 GLU 128 far 0 55 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 3128 from cnoeabs.peaks (2.14, 2.21, 28.66 ppm; 2.77 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 97 + HB3 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 91 - HB3 GLU 128 far 0 38 0 - 6.1-11.0 HB2 GLU 97 - HB3 GLU 102 far 0 82 0 - 7.0-11.6 HB3 LEU 69 - HB3 GLU 128 far 0 42 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 3129 from cnoeabs.peaks (2.21, 2.21, 28.66 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 97 + HB3 GLU 97 OK 100 100 - 100 HB3 GLU 102 + HB3 GLU 102 OK 73 73 - 100 HB3 GLU 128 + HB3 GLU 128 OK 71 71 - 100 HB2 GLN 82 + HB2 GLN 82 OK 67 67 - 100 Peak 3130 from cnoeabs.peaks (2.27, 2.21, 28.66 ppm; 4.35 A): 3 out of 11 assignments used, quality = 1.00: * HG2 GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLN 101 + HB3 GLU 97 OK 60 60 100 100 1.4-5.4 3122/1.8=32, 2.9/3316=30...(28) HB2 PRO 81 + HB2 GLN 82 OK 30 64 60 79 3.6-6.8 ~11264=40, 11246/4.5=24...(10) HB3 GLN 101 - HB3 GLU 102 poor 15 42 35 - 5.2-7.1 HB VAL 132 - HB2 GLN 82 far 0 73 0 - 6.0-10.8 HB VAL 105 - HB3 GLU 102 far 0 80 0 - 6.1-10.3 HB VAL 132 - HB3 GLU 128 far 0 71 0 - 6.7-8.6 HG2 GLU 97 - HB3 GLU 102 far 0 82 0 - 7.2-11.3 HG2 GLU 30 - HB3 GLU 97 far 0 90 0 - 7.7-24.9 HB3 PRO 113 - HB3 GLU 102 far 0 81 0 - 8.2-19.7 HB VAL 105 - HB3 GLU 97 far 0 99 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 3131 from cnoeabs.peaks (2.42, 2.21, 28.66 ppm; 3.66 A): 6 out of 7 assignments used, quality = 1.00: * HG3 GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.4-2.9 2.9=100 HG2 GLN 101 + HB3 GLU 97 OK 98 100 100 98 1.9-5.1 2.9/3298=30, 1.8/3316=30...(29) HG3 GLU 128 + HB3 GLU 128 OK 75 75 100 100 2.2-3.0 3.0=100 HG2 GLN 101 + HB3 GLU 102 OK 58 81 90 79 2.7-6.2 7450/3.8=37, 1.8/3316=17...(16) HG2 GLN 82 + HB2 GLN 82 OK 57 57 100 100 2.2-3.0 2.9=100 HG3 GLN 82 + HB2 GLN 82 OK 39 39 100 100 2.5-3.0 2.9=100 HG3 GLU 97 - HB3 GLU 102 far 0 82 0 - 7.0-11.8 Violated in 0 structures by 0.00 A. Peak 3132 from cnoeabs.peaks (7.74, 2.21, 28.66 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 98 + HB3 GLU 97 OK 100 100 100 100 2.1-3.9 4.7=100 H LEU 98 - HB3 GLU 102 poor 17 82 40 52 5.6-8.5 7352/3207=19, 2.9/3156=9...(11) H VAL 118 - HB3 GLU 102 far 0 63 0 - 6.7-9.9 Violated in 0 structures by 0.00 A. Peak 3133 from cnoeabs.peaks (8.50, 2.27, 35.12 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 97 + HG2 GLU 97 OK 100 100 100 100 1.8-4.1 4.6=68, 2.8/3134=67...(21) H LEU 100 - HG2 GLU 97 far 14 95 15 - 5.1-6.7 H GLU 97 - HG2 GLU 30 far 0 71 0 - 8.1-23.6 H HIS 5 - HG2 GLU 30 far 0 35 0 - 8.2-47.8 Violated in 1 structures by 0.00 A. Peak 3134 from cnoeabs.peaks (3.76, 2.27, 35.12 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.0-4.0 3.8=99, 2.8/3133=55...(26) HB2 SER 99 - HG2 GLU 97 far 0 100 0 - 6.0-8.9 HA GLU 97 - HG2 GLU 30 far 0 71 0 - 9.3-22.6 Violated in 1 structures by 0.01 A. Peak 3135 from cnoeabs.peaks (2.14, 2.27, 35.12 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.2-2.9 2.9=100 HB2 GLU 97 - HG2 GLU 30 far 0 71 0 - 7.0-24.5 HB3 LEU 69 - HG2 GLU 97 far 0 65 0 - 8.2-13.5 HB3 LEU 69 - HG2 GLU 30 far 0 39 0 - 9.4-18.6 Violated in 0 structures by 0.00 A. Peak 3136 from cnoeabs.peaks (2.21, 2.27, 35.12 ppm; 4.35 A): 3 out of 15 assignments used, quality = 1.00: * HB3 GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLN 101 + HG2 GLU 97 OK 92 97 95 99 4.0-6.1 3290/1.8=33, ~3300=30...(36) HB3 LEU 96 + HG2 GLU 97 OK 58 83 70 100 5.2-6.6 4.4/3133=50, 3.2/3102=30...(37) HB2 GLN 68 - HG2 GLU 30 far 0 70 0 - 6.5-15.2 HG2 GLN 68 - HG2 GLU 30 far 0 59 0 - 6.8-15.5 HB3 GLN 104 - HG2 GLU 30 far 0 69 0 - 6.9-23.1 HB3 GLN 104 - HG2 GLU 97 far 0 99 0 - 6.9-13.2 HB2 GLN 104 - HG2 GLU 30 far 0 39 0 - 7.0-22.6 HB3 GLU 102 - HG2 GLU 97 far 0 95 0 - 7.2-11.3 HB3 GLU 97 - HG2 GLU 30 far 0 71 0 - 7.7-24.9 HB2 GLN 104 - HG2 GLU 97 far 0 65 0 - 8.0-12.5 HG2 GLU 91 - HG2 GLU 97 far 0 97 0 - 8.8-12.9 HB2 GLN 101 - HG2 GLU 30 far 0 66 0 - 9.3-24.8 HG2 GLN 68 - HG2 GLU 97 far 0 92 0 - 9.4-15.1 HB3 LEU 96 - HG2 GLU 30 far 0 52 0 - 9.6-22.0 Violated in 0 structures by 0.00 A. Peak 3137 from cnoeabs.peaks (2.27, 2.27, 35.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 97 + HG2 GLU 97 OK 100 100 - 100 HG2 GLU 30 + HG2 GLU 30 OK 58 58 - 100 Peak 3138 from cnoeabs.peaks (2.42, 2.27, 35.12 ppm; 2.68 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 97 + HG2 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 101 - HG2 GLU 97 far 15 100 15 - 2.9-7.4 HG3 GLU 97 - HG2 GLU 30 far 0 71 0 - 7.2-25.9 HB3 PRO 58 - HG2 GLU 30 far 0 67 0 - 7.7-26.8 HG3 GLN 61 - HG2 GLU 30 far 0 68 0 - 7.9-22.7 HG2 GLN 101 - HG2 GLU 30 far 0 70 0 - 9.2-26.1 Violated in 0 structures by 0.00 A. Peak 3139 from cnoeabs.peaks (7.74, 2.27, 35.12 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 98 + HG2 GLU 97 OK 100 100 100 100 1.5-4.7 7358/2.9=80, 3.6/3134=76...(21) HE22 GLN 68 - HG2 GLU 30 poor 9 44 20 - 5.4-17.5 H LEU 98 - HG2 GLU 30 far 0 71 0 - 8.8-25.7 Violated in 0 structures by 0.00 A. Peak 3140 from cnoeabs.peaks (8.50, 2.42, 35.12 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HG3 GLU 97 OK 100 100 100 100 1.8-4.1 3133/1.8=72, 7348=69...(21) H LEU 100 + HG3 GLU 97 OK 47 95 55 90 5.2-7.0 3.1/7419=24, 3118/2.9=24...(21) Violated in 1 structures by 0.01 A. Peak 3141 from cnoeabs.peaks (3.76, 2.42, 35.12 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.1-4.2 3.8=100 HB2 SER 99 - HG3 GLU 97 far 0 100 0 - 7.1-9.1 Violated in 4 structures by 0.04 A. Peak 3142 from cnoeabs.peaks (2.14, 2.42, 35.12 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LEU 69 - HG3 GLU 97 far 0 65 0 - 7.6-13.5 HG3 GLU 91 - HG3 GLU 97 far 0 60 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 3143 from cnoeabs.peaks (2.21, 2.42, 35.12 ppm; 3.13 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.4-2.9 2.9=100 HB2 GLN 101 + HG3 GLU 97 OK 32 97 35 92 4.1-6.4 1.8/3300=26, 3290=23...(35) HB3 LEU 96 - HG3 GLU 97 far 12 83 15 - 4.5-6.7 HB2 GLN 104 - HG3 GLU 97 far 0 65 0 - 6.8-12.9 HB3 GLU 102 - HG3 GLU 97 far 0 95 0 - 7.0-11.8 HB3 GLN 104 - HG3 GLU 97 far 0 99 0 - 8.2-13.4 HG2 GLU 91 - HG3 GLU 97 far 0 97 0 - 8.6-13.6 HG2 GLN 68 - HG3 GLU 97 far 0 92 0 - 9.2-14.9 HB2 GLN 68 - HG3 GLU 97 far 0 100 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 3144 from cnoeabs.peaks (2.27, 2.42, 35.12 ppm; 2.54 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 97 + HG3 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 101 + HG3 GLU 97 OK 21 60 55 65 2.8-7.9 1.8/3290=12, 3122/2.9=9...(24) HG2 GLU 30 - HG3 GLU 97 far 0 90 0 - 7.2-25.9 Violated in 0 structures by 0.00 A. Peak 3145 from cnoeabs.peaks (2.42, 2.42, 35.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 97 + HG3 GLU 97 OK 100 100 - 100 Peak 3146 from cnoeabs.peaks (7.74, 2.42, 35.12 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HG3 GLU 97 OK 100 100 100 100 1.9-4.7 3139/1.8=90, 7358/2.9=89...(22) Violated in 0 structures by 0.00 A. Peak 3147 from cnoeabs.peaks (7.74, 4.11, 57.89 ppm; 3.96 A): 2 out of 10 assignments used, quality = 1.00: * H LEU 98 + HA LEU 98 OK 100 100 100 100 2.6-2.9 2.9=100 H LEU 53 + HA LEU 49 OK 52 60 100 86 2.9-4.7 3.7/1631=25, 3.3/6644=21...(16) H LEU 53 - HA LEU 48 far 0 74 0 - 6.2-7.3 HE22 GLN 68 - HA LEU 49 far 0 56 0 - 6.4-13.3 H GLU 55 - HA LEU 49 far 0 72 0 - 6.8-8.2 HE22 GLN 68 - HA LEU 48 far 0 69 0 - 7.5-15.6 HE22 GLN 68 - HA GLN 104 far 0 35 0 - 8.3-17.7 H VAL 118 - HA GLN 104 far 0 43 0 - 8.7-14.6 H GLU 55 - HA LEU 48 far 0 86 0 - 9.1-10.9 H VAL 118 - HA LEU 98 far 0 85 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3148 from cnoeabs.peaks (4.11, 4.11, 57.89 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LEU 98 + HA LEU 98 OK 100 100 - 100 HA LEU 48 + HA LEU 48 OK 98 98 - 100 HA LEU 49 + HA LEU 49 OK 85 85 - 100 HA GLN 104 + HA GLN 104 OK 45 45 - 100 Peak 3149 from cnoeabs.peaks (1.65, 4.11, 57.89 ppm; 3.74 A): 1 out of 38 assignments used, quality = 1.00: * HB2 LEU 98 + HA LEU 98 OK 100 100 100 100 2.2-2.6 3.0=100 HG LEU 62 - HA LEU 49 far 13 84 15 - 3.8-8.9 HD2 LYS 26 - HA LEU 48 far 5 96 5 - 4.8-30.2 HD2 LYS 24 - HA LEU 48 far 5 95 5 - 4.6-31.4 HD3 LYS 24 - HA LEU 48 far 0 96 0 - 5.4-30.1 HD2 LYS 19 - HA LEU 48 far 0 98 0 - 5.5-38.0 HD3 LYS 26 - HA LEU 48 far 0 97 0 - 5.6-29.9 HB2 LEU 123 - HA LEU 49 far 0 85 0 - 6.0-10.1 HD3 LYS 95 - HA LEU 98 far 0 99 0 - 6.2-10.7 HD3 LYS 19 - HA LEU 48 far 0 98 0 - 6.3-39.5 HG3 ARG 23 - HA LEU 98 far 0 68 0 - 6.4-37.3 HB2 LEU 69 - HA LEU 49 far 0 70 0 - 6.7-10.2 HD2 LYS 24 - HA LEU 98 far 0 98 0 - 6.8-36.7 HD3 LYS 24 - HA LEU 98 far 0 99 0 - 6.9-35.4 HD2 LYS 95 - HA LEU 98 far 0 100 0 - 6.9-11.2 HG3 ARG 23 - HA GLN 104 far 0 32 0 - 7.3-34.9 HD3 LYS 24 - HA LEU 49 far 0 82 0 - 7.3-26.6 HG LEU 62 - HA GLN 104 far 0 57 0 - 7.4-13.5 HD3 LYS 26 - HA GLN 104 far 0 56 0 - 7.4-26.7 HD2 LYS 24 - HA LEU 49 far 0 81 0 - 7.7-27.8 HD2 LYS 36 - HA LEU 49 far 0 68 0 - 7.7-18.8 HG LEU 62 - HA LEU 48 far 0 98 0 - 7.8-13.7 HD2 LYS 26 - HA LEU 49 far 0 82 0 - 7.9-26.8 HD3 LYS 36 - HA LEU 48 far 0 83 0 - 7.9-17.5 HD3 LYS 36 - HA LEU 49 far 0 68 0 - 8.3-17.9 HD2 LYS 36 - HA LEU 48 far 0 83 0 - 8.3-18.9 HD2 LYS 31 - HA LEU 48 far 0 95 0 - 8.4-26.8 HD2 LYS 31 - HA LEU 49 far 0 81 0 - 8.4-25.8 HB2 LEU 69 - HA LEU 48 far 0 84 0 - 8.7-12.8 HD2 LYS 26 - HA GLN 104 far 0 55 0 - 8.8-27.4 HD3 LYS 31 - HA LEU 49 far 0 82 0 - 8.9-24.7 HD2 LYS 31 - HA GLN 104 far 0 54 0 - 9.0-25.0 HD3 LYS 26 - HA LEU 49 far 0 83 0 - 9.3-26.5 HG3 ARG 23 - HA LEU 48 far 0 64 0 - 9.3-31.5 HD3 LYS 31 - HA LEU 48 far 0 96 0 - 9.4-25.5 HD3 LYS 31 - HA GLN 104 far 0 55 0 - 9.5-25.4 HB2 LEU 123 - HA LEU 48 far 0 98 0 - 9.5-14.0 HD3 LYS 26 - HA LEU 98 far 0 99 0 - 9.9-30.3 Violated in 0 structures by 0.00 A. Peak 3150 from cnoeabs.peaks (1.78, 4.11, 57.89 ppm; 3.76 A): 4 out of 17 assignments used, quality = 1.00: * HB3 LEU 98 + HA LEU 98 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 48 + HA LEU 48 OK 98 98 100 100 2.2-3.0 3.0=100 HB3 LEU 103 + HA GLN 104 OK 53 55 100 97 4.2-5.2 7488/3.0=48, ~7491=21...(24) HB2 LEU 48 + HA LEU 49 OK 46 84 55 99 3.9-5.5 6598/2.9=51...(39) HG LEU 100 - HA GLN 104 far 8 55 15 - 4.4-9.2 HB3 LYS 19 - HA LEU 48 far 3 62 5 - 3.8-36.0 HB3 LEU 122 - HA LEU 98 far 0 98 0 - 6.5-10.4 HB3 LYS 24 - HA LEU 48 far 0 56 0 - 6.6-28.7 HG LEU 100 - HA LEU 49 far 0 82 0 - 6.8-14.3 HB3 LEU 103 - HA LEU 98 far 0 99 0 - 7.1-8.5 HB3 LYS 24 - HA LEU 98 far 0 60 0 - 7.4-32.6 HG LEU 100 - HA LEU 98 far 0 99 0 - 7.7-9.1 HB3 LEU 122 - HA GLN 104 far 0 54 0 - 7.7-11.3 HB3 LYS 24 - HA LEU 49 far 0 45 0 - 8.3-25.3 HB3 LYS 19 - HA LEU 49 far 0 49 0 - 8.6-33.0 HB3 LEU 122 - HA LEU 49 far 0 81 0 - 9.1-12.6 HB3 LYS 24 - HA GLN 104 far 0 28 0 - 9.8-31.6 Violated in 0 structures by 0.00 A. Peak 3151 from cnoeabs.peaks (1.71, 4.11, 57.89 ppm; 3.94 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 98 + HA LEU 98 OK 100 100 100 100 2.9-4.3 3.7=100 HG LEU 48 + HA LEU 48 OK 98 98 100 100 3.1-4.2 3.7=100 HG LEU 48 + HA LEU 49 OK 46 84 55 99 2.8-6.5 6600/2.9=45...(33) HB2 LEU 70 - HA LEU 98 far 0 100 0 - 7.3-10.8 HB3 LEU 70 - HA GLN 104 far 0 56 0 - 7.8-13.5 HB3 LEU 70 - HA LEU 98 far 0 100 0 - 8.4-10.2 HB2 LEU 70 - HA GLN 104 far 0 57 0 - 8.4-13.1 HB2 LEU 43 - HA LEU 48 far 0 83 0 - 9.1-11.0 HB2 LEU 70 - HA LEU 49 far 0 85 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 3152 from cnoeabs.peaks (0.86, 4.11, 57.89 ppm; 3.70 A): 3 out of 28 assignments used, quality = 1.00: * QD1 LEU 98 + HA LEU 98 OK 100 100 100 100 3.0-4.1 3185=100, 2.1/3193=51...(21) QD2 LEU 98 + HA LEU 98 OK 93 93 100 100 1.8-3.4 4.0=81, 2.1/3185=78...(25) QD2 LEU 123 + HA LEU 49 OK 44 60 85 87 2.9-6.6 3948/3.7=17...(29) QG2 VAL 57 - HA LEU 49 poor 8 85 25 38 4.8-6.3 9317/1631=26...(3) QD2 LEU 70 - HA LEU 98 far 5 99 5 - 5.1-8.3 QD2 LEU 69 - HA LEU 49 far 4 83 5 - 4.4-8.7 QG2 VAL 20 - HA LEU 48 far 3 56 5 - 3.8-26.0 QG2 VAL 20 - HA LEU 49 far 2 45 5 - 4.4-23.7 QD2 LEU 69 - HA LEU 48 far 0 96 0 - 5.7-9.5 QD2 LEU 70 - HA GLN 104 far 0 56 0 - 6.2-11.6 QD2 LEU 123 - HA LEU 48 far 0 74 0 - 6.5-9.7 QG2 VAL 20 - HA LEU 98 far 0 60 0 - 6.7-32.6 QG2 VAL 57 - HA LEU 48 far 0 98 0 - 7.2-9.5 QD2 LEU 70 - HA LEU 49 far 0 83 0 - 7.3-13.2 QG2 ILE 32 - HA LEU 49 far 0 82 0 - 7.5-14.8 QD2 LEU 22 - HA LEU 48 far 0 76 0 - 7.7-25.8 QG2 ILE 32 - HA GLN 104 far 0 55 0 - 7.8-19.4 QG2 ILE 32 - HA LEU 48 far 0 96 0 - 7.9-15.6 QD2 LEU 123 - HA GLN 104 far 0 38 0 - 9.0-13.4 QD2 LEU 22 - HA LEU 98 far 0 81 0 - 9.3-33.1 QD2 LEU 69 - HA GLN 104 far 0 55 0 - 9.4-16.1 QG2 VAL 57 - HA GLN 104 far 0 58 0 - 9.7-12.8 QD1 LEU 98 - HA GLN 104 far 0 58 0 - 9.8-12.6 QD2 LEU 98 - HA GLN 104 far 0 49 0 - 9.8-11.3 QD2 LEU 22 - HA LEU 49 far 0 62 0 - 9.8-24.2 QD2 LEU 70 - HA LEU 48 far 0 97 0 - 9.8-16.2 QG2 VAL 20 - HA GLN 104 far 0 28 0 - 9.9-30.4 QG1 VAL 133 - HA LEU 48 far 0 64 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 3153 from cnoeabs.peaks (0.88, 4.11, 57.89 ppm; 3.32 A): 3 out of 29 assignments used, quality = 1.00: * QD2 LEU 98 + HA LEU 98 OK 100 100 100 100 1.8-3.4 2.1/3185=66, 3193=60...(25) QD1 LEU 98 + HA LEU 98 OK 93 93 100 100 3.0-4.1 3185=90, 2.1/3193=43...(21) QD2 LEU 123 + HA LEU 49 OK 45 82 65 84 2.9-6.6 3948/3.7=20...(29) QG2 VAL 20 - HA LEU 48 far 4 88 5 - 3.8-26.0 QD2 LEU 69 - HA LEU 49 far 4 83 5 - 4.4-8.7 QG1 VAL 118 - HA LEU 98 far 4 76 5 - 4.5-7.9 QG2 VAL 57 - HA LEU 49 far 4 75 5 - 4.8-6.3 QG2 VAL 20 - HA LEU 49 far 4 73 5 - 4.4-23.7 QG1 VAL 118 - HA GLN 104 far 2 37 5 - 4.5-10.0 QD2 LEU 70 - HA LEU 98 far 0 83 0 - 5.1-8.3 QD2 LEU 69 - HA LEU 48 far 0 96 0 - 5.7-9.5 QD2 LEU 70 - HA GLN 104 far 0 41 0 - 6.2-11.6 QD2 LEU 123 - HA LEU 48 far 0 96 0 - 6.5-9.7 QG2 VAL 20 - HA LEU 98 far 0 92 0 - 6.7-32.6 QD1 LEU 22 - HA LEU 48 far 0 83 0 - 7.0-27.6 QG2 VAL 57 - HA LEU 48 far 0 89 0 - 7.2-9.5 QG1 VAL 118 - HA LEU 49 far 0 58 0 - 7.2-13.6 QD2 LEU 70 - HA LEU 49 far 0 64 0 - 7.3-13.2 QG2 ILE 32 - HA LEU 49 far 0 60 0 - 7.5-14.8 QG2 ILE 32 - HA GLN 104 far 0 38 0 - 7.8-19.4 QG2 ILE 32 - HA LEU 48 far 0 74 0 - 7.9-15.6 QD1 LEU 22 - HA GLN 104 far 0 44 0 - 8.7-30.2 QD2 LEU 123 - HA GLN 104 far 0 55 0 - 9.0-13.4 QD2 LEU 69 - HA GLN 104 far 0 55 0 - 9.4-16.1 QG2 VAL 57 - HA GLN 104 far 0 49 0 - 9.7-12.8 QD1 LEU 98 - HA GLN 104 far 0 49 0 - 9.8-12.6 QD2 LEU 98 - HA GLN 104 far 0 58 0 - 9.8-11.3 QD2 LEU 70 - HA LEU 48 far 0 79 0 - 9.8-16.2 QG2 VAL 20 - HA GLN 104 far 0 48 0 - 9.9-30.4 Violated in 0 structures by 0.00 A. Peak 3154 from cnoeabs.peaks (8.29, 4.11, 57.89 ppm; 4.38 A): 3 out of 21 assignments used, quality = 1.00: * H SER 99 + HA LEU 98 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 48 OK 93 93 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 79 79 100 100 2.7-2.9 2.9=100 H ALA 21 - HA LEU 48 far 0 86 0 - 6.2-31.9 H ALA 110 - HA GLN 104 far 0 54 0 - 6.3-13.0 H GLY 17 - HA LEU 48 far 0 59 0 - 6.4-33.5 H GLU 30 - HA GLN 104 far 0 28 0 - 6.9-22.6 H LEU 96 - HA LEU 98 far 0 89 0 - 6.9-7.4 H GLY 111 - HA GLN 104 far 0 52 0 - 7.1-13.1 H LEU 69 - HA LEU 49 far 0 83 0 - 7.1-10.7 H GLU 30 - HA LEU 49 far 0 45 0 - 7.3-20.3 H GLY 17 - HA LEU 49 far 0 47 0 - 7.9-34.6 H GLU 30 - HA LEU 48 far 0 56 0 - 8.0-22.3 H ALA 110 - HA LEU 98 far 0 98 0 - 8.2-21.7 H VAL 126 - HA LEU 49 far 0 85 0 - 9.1-11.4 H LEU 69 - HA LEU 48 far 0 96 0 - 9.3-13.2 H ALA 21 - HA LEU 49 far 0 72 0 - 9.4-29.1 H LEU 69 - HA GLN 104 far 0 55 0 - 9.5-15.0 H ALA 21 - HA LEU 98 far 0 90 0 - 9.7-41.2 H SER 99 - HA GLN 104 far 0 58 0 - 9.9-11.3 H LEU 43 - HA LEU 48 far 0 98 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 3155 from cnoeabs.peaks (7.68, 4.11, 57.89 ppm; 4.58 A): 1 out of 5 assignments used, quality = 1.00: * H GLN 101 + HA LEU 98 OK 100 100 100 100 3.8-4.6 7418/3157=71...(27) H GLN 101 - HA GLN 104 far 0 58 0 - 6.5-8.7 H CYS 45 - HA LEU 48 far 0 95 0 - 6.8-8.0 H LYS 95 - HA LEU 98 far 0 65 0 - 6.8-7.9 H CYS 45 - HA LEU 49 far 0 81 0 - 8.6-9.9 Violated in 1 structures by 0.00 A. Peak 3156 from cnoeabs.peaks (2.21, 4.11, 57.89 ppm; 3.66 A): 5 out of 22 assignments used, quality = 1.00: HB3 GLU 97 + HA LEU 98 OK 95 97 100 98 3.6-4.6 ~7358=32, ~3124=30...(23) * HB2 GLN 101 + HA LEU 98 OK 94 100 95 99 3.2-5.2 1.8/3157=65, 3285=43...(20) HB3 GLN 104 + HA GLN 104 OK 47 47 100 100 2.2-2.9 3.0=100 HB2 GLN 104 + HA GLN 104 OK 45 45 100 100 2.2-3.0 3.0=100 HB3 GLU 102 + HA LEU 98 OK 32 76 75 56 3.2-6.7 3.8/7442=18, 3.0/3157=9...(14) HB3 GLN 127 - HA LEU 49 far 0 64 0 - 6.3-10.7 HG2 GLN 68 - HA LEU 49 far 0 54 0 - 6.9-13.8 HB2 GLN 68 - HA LEU 49 far 0 76 0 - 7.4-12.0 HB3 GLN 104 - HA LEU 98 far 0 90 0 - 7.6-12.0 HB3 GLU 102 - HA GLN 104 far 0 37 0 - 7.6-8.9 HB3 LEU 96 - HA LEU 98 far 0 57 0 - 7.7-8.8 HB3 GLN 127 - HA LEU 48 far 0 79 0 - 7.8-11.7 HB2 GLN 101 - HA GLN 104 far 0 58 0 - 7.8-9.6 HB2 GLN 104 - HA LEU 98 far 0 89 0 - 8.5-11.1 HG2 GLN 68 - HA LEU 48 far 0 67 0 - 8.6-16.1 HB3 GLN 68 - HA LEU 49 far 0 47 0 - 8.6-12.2 HG2 GLN 68 - HA GLN 104 far 0 34 0 - 9.3-15.9 HB3 LEU 96 - HA GLN 104 far 0 26 0 - 9.3-15.9 HB2 GLN 68 - HA GLN 104 far 0 50 0 - 9.4-14.6 HB2 GLN 68 - HA LEU 48 far 0 91 0 - 9.4-13.5 HB3 GLU 97 - HA GLN 104 far 0 53 0 - 9.4-11.5 HB3 LEU 96 - HA LEU 49 far 0 43 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 3157 from cnoeabs.peaks (2.30, 4.11, 57.89 ppm; 3.96 A): 1 out of 13 assignments used, quality = 1.00: * HB3 GLN 101 + HA LEU 98 OK 100 100 100 100 3.9-4.5 3295=50, 7418/3155=45...(23) HG2 GLU 97 - HA LEU 98 poor 18 60 30 - 3.5-6.6 HG2 GLN 61 - HA LEU 49 far 3 66 5 - 4.9-8.7 HB3 PRO 113 - HA GLN 104 far 0 32 0 - 5.8-16.9 HB3 GLN 101 - HA GLN 104 far 0 58 0 - 7.7-9.9 HG2 GLU 30 - HA LEU 49 far 0 76 0 - 7.9-22.2 HG2 GLU 30 - HA GLN 104 far 0 50 0 - 8.1-25.0 HG2 GLN 61 - HA LEU 48 far 0 81 0 - 8.2-12.3 HG3 GLN 68 - HA LEU 49 far 0 58 0 - 8.3-13.1 HB3 PRO 113 - HA LEU 49 far 0 51 0 - 8.7-18.5 HG3 GLN 68 - HA LEU 48 far 0 72 0 - 9.2-14.9 HG2 GLU 97 - HA GLN 104 far 0 28 0 - 9.6-13.3 HG2 GLN 61 - HA GLN 104 far 0 43 0 - 9.9-14.5 Violated in 18 structures by 0.27 A. Peak 3158 from cnoeabs.peaks (4.02, 1.65, 41.76 ppm; 3.97 A): 1 out of 7 assignments used, quality = 0.99: * HA LYS 95 + HB2 LEU 98 OK 99 100 100 99 3.7-5.1 2963/1.8=75...(15) HB3 SER 99 - HB2 LEU 98 far 5 93 5 - 5.0-7.0 HA LEU 96 - HB2 LEU 98 far 0 78 0 - 6.9-7.9 HA LEU 103 - HB2 LEU 98 far 0 100 0 - 8.3-10.6 HA LEU 119 - HB2 LEU 98 far 0 99 0 - 8.4-13.8 HA ALA 92 - HB2 LEU 98 far 0 63 0 - 8.8-10.9 HA VAL 20 - HB2 LEU 98 far 0 60 0 - 8.9-41.6 Violated in 15 structures by 0.39 A. Peak 3159 from cnoeabs.peaks (7.74, 1.65, 41.76 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 98 + HB2 LEU 98 OK 100 100 100 100 3.2-3.7 3.9=100 H VAL 118 - HB2 LEU 98 far 0 85 0 - 8.4-11.8 Violated in 0 structures by 0.00 A. Peak 3160 from cnoeabs.peaks (4.11, 1.65, 41.76 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.2-2.6 3.0=100 HA GLN 101 - HB2 LEU 98 far 0 100 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 3161 from cnoeabs.peaks (1.65, 1.65, 41.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 98 + HB2 LEU 98 OK 100 100 - 100 Peak 3162 from cnoeabs.peaks (1.78, 1.65, 41.76 ppm; 3.11 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 98 + HB2 LEU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 24 - HB2 LEU 98 far 0 60 0 - 5.2-34.1 HB3 LEU 122 - HB2 LEU 98 far 0 98 0 - 6.6-11.8 HB3 LEU 103 - HB2 LEU 98 far 0 99 0 - 8.2-9.9 HG LEU 100 - HB2 LEU 98 far 0 99 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 3163 from cnoeabs.peaks (1.71, 1.65, 41.76 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 70 - HB2 LEU 98 far 0 100 0 - 9.3-12.2 HB3 LEU 70 - HB2 LEU 98 far 0 100 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 3164 from cnoeabs.peaks (0.86, 1.65, 41.76 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.0-2.7 3.1=100 QD2 LEU 98 + HB2 LEU 98 OK 93 93 100 100 2.7-3.2 3.1=100 QD2 LEU 70 - HB2 LEU 98 far 0 99 0 - 6.8-9.8 QG2 VAL 20 - HB2 LEU 98 far 0 60 0 - 7.1-34.1 QD2 LEU 22 - HB2 LEU 98 far 0 81 0 - 8.2-34.4 Violated in 0 structures by 0.00 A. Peak 3165 from cnoeabs.peaks (0.88, 1.65, 41.76 ppm; 3.74 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.7-3.2 3.1=100 QD1 LEU 98 + HB2 LEU 98 OK 93 93 100 100 2.0-2.7 3.1=100 QG1 VAL 118 - HB2 LEU 98 far 4 76 5 - 3.7-8.4 QD2 LEU 70 - HB2 LEU 98 far 0 83 0 - 6.8-9.8 QG2 VAL 20 - HB2 LEU 98 far 0 92 0 - 7.1-34.1 QD1 LEU 22 - HB2 LEU 98 far 0 87 0 - 9.6-34.3 Violated in 0 structures by 0.00 A. Peak 3166 from cnoeabs.peaks (8.29, 1.65, 41.76 ppm; 4.48 A): 1 out of 6 assignments used, quality = 1.00: * H SER 99 + HB2 LEU 98 OK 100 100 100 100 3.0-4.2 4.6=91, 7375/3.9=62...(19) H LEU 96 - HB2 LEU 98 far 0 89 0 - 6.7-7.6 H ALA 110 - HB2 LEU 98 far 0 98 0 - 6.9-22.7 H ALA 21 - HB2 LEU 98 far 0 90 0 - 9.4-42.8 H GLY 111 - HB2 LEU 98 far 0 97 0 - 9.5-22.7 H VAL 126 - HB2 LEU 98 far 0 100 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 3167 from cnoeabs.peaks (4.02, 1.78, 41.76 ppm; 4.30 A): 7 out of 29 assignments used, quality = 1.00: * HA LYS 95 + HB3 LEU 98 OK 100 100 100 100 2.2-4.3 2963=100, 3158/1.8=88...(25) HA LEU 103 + HB3 LEU 103 OK 91 91 100 100 2.9-3.0 3.0=100 HB3 SER 99 + HB3 LEU 98 OK 69 93 80 92 3.9-6.9 1.8/11471=29...(15) HB3 SER 99 + HB3 LEU 122 OK 64 75 85 100 1.8-7.0 11702/3.1=37...(30) HA LEU 96 + HB3 LEU 122 OK 60 60 100 99 1.9-5.0 3868/1.8=21, 3901/3.1=20...(57) HB3 SER 99 + HB3 LEU 103 OK 52 81 75 85 4.7-6.9 3372/1.8=28, 11472=19...(20) HA LEU 96 + HB3 LEU 98 OK 47 78 65 92 5.2-7.0 4.9/2963=43, 3.6/9998=21...(24) HA LEU 119 - HB3 LEU 122 poor 17 84 20 - 4.6-6.8 HA GLU 44 - HB2 LEU 48 poor 16 55 45 63 4.8-7.1 4.8/1437=41...(4) HA LYS 95 - HB3 LEU 122 far 9 86 10 - 5.1-9.6 HA VAL 20 - HB2 LEU 48 far 3 55 5 - 5.3-30.6 HA LEU 119 - HB3 LEU 103 far 0 90 0 - 6.0-8.6 HA LEU 119 - HB3 LEU 98 far 0 99 0 - 6.6-13.7 HB3 SER 124 - HB3 LEU 122 far 0 80 0 - 7.0-8.0 HA SER 50 - HB2 LEU 48 far 0 70 0 - 7.2-8.4 HA LEU 103 - HB3 LEU 122 far 0 85 0 - 7.2-11.1 HA ALA 92 - HB3 LEU 122 far 0 47 0 - 7.2-10.2 HA ALA 92 - HB3 LEU 98 far 0 63 0 - 7.3-9.7 HA LEU 96 - HB3 LEU 103 far 0 66 0 - 7.4-9.3 HB2 SER 124 - HB3 LEU 122 far 0 56 0 - 7.5-8.7 HA LEU 103 - HB3 LEU 98 far 0 100 0 - 7.8-11.4 HA GLN 68 - HB3 LEU 122 far 0 52 0 - 8.2-13.7 HA ILE 37 - HB2 LEU 48 far 0 97 0 - 8.2-14.2 HA SER 60 - HB3 LEU 103 far 0 87 0 - 8.8-10.7 HA GLN 68 - HB2 LEU 48 far 0 63 0 - 9.1-14.4 HB3 SER 124 - HB3 LEU 98 far 0 97 0 - 9.2-13.9 HA SER 50 - HB3 LEU 122 far 0 58 0 - 9.3-11.7 HB2 SER 124 - HB3 LEU 98 far 0 73 0 - 9.7-13.1 HA VAL 20 - HB3 LEU 98 far 0 60 0 - 9.7-40.5 Violated in 0 structures by 0.00 A. Peak 3168 from cnoeabs.peaks (7.74, 1.78, 41.76 ppm; 3.84 A): 1 out of 10 assignments used, quality = 1.00: * H LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.1-3.5 7364=100, 7363/1.8=64...(28) H VAL 118 - HB3 LEU 103 far 7 73 10 - 5.1-10.9 HE22 GLN 68 - HB2 LEU 48 far 3 68 5 - 5.1-13.8 H LEU 98 - HB3 LEU 122 far 0 86 0 - 5.4-9.1 H VAL 118 - HB3 LEU 122 far 0 67 0 - 6.3-9.3 H LEU 53 - HB2 LEU 48 far 0 73 0 - 6.7-9.1 H VAL 118 - HB3 LEU 98 far 0 85 0 - 6.9-11.8 H LEU 98 - HB3 LEU 103 far 0 92 0 - 7.8-9.5 HE22 GLN 68 - HB3 LEU 122 far 0 56 0 - 9.4-17.3 H LEU 53 - HB3 LEU 122 far 0 60 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 3169 from cnoeabs.peaks (4.11, 1.78, 41.76 ppm; 4.15 A): 6 out of 15 assignments used, quality = 1.00: * HA LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 48 + HB2 LEU 48 OK 97 97 100 100 2.2-3.0 3.0=100 HA LEU 49 + HB2 LEU 48 OK 97 97 100 100 3.9-5.5 2.9/6598=61...(39) HA CYS 45 + HB2 LEU 48 OK 85 85 100 100 2.5-4.8 1437=74, 1438/1.8=62...(16) HA GLN 104 + HB3 LEU 103 OK 76 76 100 99 4.2-5.2 3.0/7488=56, 11431=39...(26) HA GLN 101 + HB3 LEU 103 OK 67 91 85 87 4.8-6.1 3282/4.6=32...(15) HA LEU 98 - HB3 LEU 122 far 0 86 0 - 6.5-10.4 HA GLN 101 - HB3 LEU 122 far 0 85 0 - 6.6-8.3 HA LEU 98 - HB3 LEU 103 far 0 92 0 - 7.1-8.5 HA ALA 52 - HB2 LEU 48 far 0 63 0 - 7.2-9.1 HA GLN 101 - HB3 LEU 98 far 0 100 0 - 7.7-8.2 HA GLN 104 - HB3 LEU 122 far 0 70 0 - 7.7-11.3 HA ILE 32 - HB2 LEU 48 far 0 97 0 - 7.8-20.3 HA LEU 49 - HB3 LEU 122 far 0 86 0 - 9.1-12.6 HA3 GLY 114 - HB3 LEU 103 far 0 75 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 3170 from cnoeabs.peaks (1.65, 1.78, 41.76 ppm; 2.97 A): 1 out of 33 assignments used, quality = 1.00: * HB2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 95 - HB3 LEU 98 poor 17 99 30 59 3.6-8.7 5.0/2963=17, 3178/3.0=8...(23) HD3 LYS 24 - HB3 LEU 98 far 5 99 5 - 4.2-35.7 HD2 LYS 24 - HB3 LEU 98 far 0 98 0 - 4.6-36.8 HD2 LYS 95 - HB3 LEU 98 far 0 100 0 - 4.7-9.5 HB2 LEU 69 - HB3 LEU 122 far 0 70 0 - 5.0-11.6 HB2 LEU 123 - HB3 LEU 122 far 0 85 0 - 5.3-7.2 HD3 LYS 36 - HB2 LEU 48 far 0 81 0 - 5.4-16.0 HD2 LYS 31 - HB2 LEU 48 far 0 94 0 - 6.0-24.3 HD2 LYS 36 - HB2 LEU 48 far 0 81 0 - 6.0-17.2 HG LEU 62 - HB3 LEU 103 far 0 91 0 - 6.0-11.2 HD3 LYS 24 - HB2 LEU 48 far 0 95 0 - 6.2-28.4 HD3 LYS 26 - HB2 LEU 48 far 0 96 0 - 6.3-29.6 HD2 LYS 24 - HB2 LEU 48 far 0 94 0 - 6.4-29.8 HB2 LEU 69 - HB2 LEU 48 far 0 83 0 - 6.6-11.7 HG LEU 62 - HB3 LEU 122 far 0 85 0 - 6.6-10.3 HB2 LEU 98 - HB3 LEU 122 far 0 86 0 - 6.6-11.8 HD3 LYS 31 - HB2 LEU 48 far 0 95 0 - 6.7-23.0 HD2 LYS 26 - HB2 LEU 48 far 0 95 0 - 6.9-30.1 HG LEU 62 - HB2 LEU 48 far 0 97 0 - 7.1-13.8 HD2 LYS 19 - HB2 LEU 48 far 0 97 0 - 7.3-36.4 HD3 LYS 24 - HB3 LEU 122 far 0 82 0 - 7.3-30.5 HG3 ARG 23 - HB3 LEU 98 far 0 68 0 - 7.5-37.9 HD2 LYS 95 - HB3 LEU 122 far 0 85 0 - 7.7-12.7 HD3 LYS 95 - HB3 LEU 122 far 0 83 0 - 7.8-11.4 HB2 LEU 98 - HB3 LEU 103 far 0 92 0 - 8.2-9.9 HD2 LYS 24 - HB3 LEU 122 far 0 81 0 - 8.2-31.5 HD3 LYS 19 - HB2 LEU 48 far 0 97 0 - 8.4-37.8 HB2 LEU 123 - HB3 LEU 103 far 0 91 0 - 8.7-11.8 HD3 LYS 26 - HB3 LEU 103 far 0 90 0 - 8.8-25.3 HG3 ARG 23 - HB2 LEU 48 far 0 63 0 - 8.9-30.4 HB2 LEU 123 - HB2 LEU 48 far 0 97 0 - 9.3-15.1 HB2 LEU 69 - HB3 LEU 103 far 0 76 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 3171 from cnoeabs.peaks (1.78, 1.78, 41.76 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 98 + HB3 LEU 98 OK 100 100 - 100 HB2 LEU 48 + HB2 LEU 48 OK 97 97 - 100 HB3 LEU 103 + HB3 LEU 103 OK 88 88 - 100 HB3 LEU 122 + HB3 LEU 122 OK 81 81 - 100 Peak 3172 from cnoeabs.peaks (1.71, 1.78, 41.76 ppm; 4.35 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 48 + HB2 LEU 48 OK 97 97 100 100 2.3-2.9 3.0=100 HB2 LEU 70 - HB3 LEU 122 poor 17 85 20 - 3.8-8.4 HB3 LEU 70 - HB3 LEU 122 far 13 84 15 - 4.3-8.6 HG LEU 98 - HB3 LEU 122 far 0 86 0 - 6.2-11.4 HB2 LEU 70 - HB3 LEU 103 far 0 91 0 - 8.1-10.4 HB2 LEU 70 - HB3 LEU 98 far 0 100 0 - 8.3-10.9 HB3 LEU 70 - HB3 LEU 103 far 0 90 0 - 8.3-10.3 HB3 LEU 70 - HB3 LEU 98 far 0 100 0 - 8.4-11.0 HB2 LEU 43 - HB2 LEU 48 far 0 81 0 - 8.8-11.5 HG LEU 98 - HB3 LEU 103 far 0 92 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3173 from cnoeabs.peaks (0.86, 1.78, 41.76 ppm; 3.76 A): 3 out of 29 assignments used, quality = 1.00: * QD1 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 93 93 100 100 2.4-3.1 3.1=100 QD2 LEU 70 + HB3 LEU 122 OK 60 84 75 95 3.1-6.2 2272/3.0=20, 2.1/3895=15...(56) QD2 LEU 98 - HB3 LEU 122 poor 19 75 25 - 3.2-8.7 QD2 LEU 123 - HB3 LEU 122 poor 15 60 35 70 3.8-6.7 3944/4.3=25...(21) QD1 LEU 98 - HB3 LEU 122 far 13 86 15 - 5.1-10.4 QD2 LEU 70 - HB3 LEU 103 far 9 90 10 - 5.0-9.6 QD2 LEU 69 - HB3 LEU 122 far 8 83 10 - 5.1-10.3 QG2 VAL 20 - HB2 LEU 48 far 3 55 5 - 3.2-24.3 QD2 LEU 69 - HB2 LEU 48 far 0 95 0 - 5.4-9.3 QG2 ILE 32 - HB2 LEU 48 far 0 95 0 - 5.8-14.7 QD2 LEU 123 - HB2 LEU 48 far 0 73 0 - 5.9-10.9 QD2 LEU 70 - HB3 LEU 98 far 0 99 0 - 6.3-9.1 QD2 LEU 98 - HB3 LEU 103 far 0 81 0 - 6.4-9.0 QD1 LEU 98 - HB3 LEU 103 far 0 92 0 - 6.6-10.0 QD2 LEU 123 - HB3 LEU 103 far 0 66 0 - 7.0-10.2 QG2 VAL 57 - HB2 LEU 48 far 0 97 0 - 7.3-10.4 QG2 VAL 20 - HB3 LEU 98 far 0 60 0 - 7.9-33.2 QD2 LEU 70 - HB2 LEU 48 far 0 96 0 - 7.9-15.4 QD2 LEU 69 - HB3 LEU 103 far 0 89 0 - 8.4-12.9 QD2 LEU 22 - HB3 LEU 98 far 0 81 0 - 8.4-33.3 QD2 LEU 22 - HB2 LEU 48 far 0 75 0 - 8.8-25.9 QG2 VAL 57 - HB3 LEU 122 far 0 86 0 - 9.1-11.9 QG2 ILE 32 - HB3 LEU 122 far 0 82 0 - 9.2-16.3 QG2 VAL 57 - HB3 LEU 103 far 0 92 0 - 9.3-11.6 QG2 VAL 20 - HB3 LEU 103 far 0 50 0 - 9.6-30.1 QG1 VAL 133 - HB2 LEU 48 far 0 63 0 - 9.7-14.5 QD2 LEU 123 - HB3 LEU 98 far 0 78 0 - 9.8-13.5 QD2 LEU 69 - HB3 LEU 98 far 0 99 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3174 from cnoeabs.peaks (0.88, 1.78, 41.76 ppm; 3.57 A): 5 out of 30 assignments used, quality = 1.00: * QD2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.4-3.1 3.1=100 QD1 LEU 98 + HB3 LEU 98 OK 93 93 100 100 2.0-3.2 3.1=100 QG1 VAL 118 + HB3 LEU 103 OK 60 64 95 99 1.9-6.5 ~10069=27, ~10069=26...(33) QG1 VAL 118 + HB3 LEU 122 OK 54 58 100 93 1.8-4.7 390/1.8=29, 2.1/11916=18...(30) QD2 LEU 70 + HB3 LEU 122 OK 43 65 75 90 3.1-6.2 2272/3.0=14, 2.1/3895=14...(51) QD2 LEU 123 - HB3 LEU 122 poor 19 82 30 76 3.8-6.7 3944/4.3=32...(20) QD2 LEU 98 - HB3 LEU 122 poor 5 86 25 21 3.2-8.7 11478/11471=4...(8) QG2 VAL 20 - HB2 LEU 48 far 4 87 5 - 3.2-24.3 QG1 VAL 118 - HB3 LEU 98 far 4 76 5 - 2.3-8.4 QD2 LEU 70 - HB3 LEU 103 far 4 71 5 - 5.0-9.6 QD2 LEU 69 - HB3 LEU 122 far 0 83 0 - 5.1-10.3 QD1 LEU 98 - HB3 LEU 122 far 0 75 0 - 5.1-10.4 QD2 LEU 69 - HB2 LEU 48 far 0 95 0 - 5.4-9.3 QG2 ILE 32 - HB2 LEU 48 far 0 73 0 - 5.8-14.7 QD2 LEU 123 - HB2 LEU 48 far 0 95 0 - 5.9-10.9 QD2 LEU 70 - HB3 LEU 98 far 0 83 0 - 6.3-9.1 QD2 LEU 98 - HB3 LEU 103 far 0 92 0 - 6.4-9.0 QD1 LEU 98 - HB3 LEU 103 far 0 81 0 - 6.6-10.0 QD2 LEU 123 - HB3 LEU 103 far 0 88 0 - 7.0-10.2 QG2 VAL 57 - HB2 LEU 48 far 0 88 0 - 7.3-10.4 QG2 VAL 20 - HB3 LEU 98 far 0 92 0 - 7.9-33.2 QD2 LEU 70 - HB2 LEU 48 far 0 77 0 - 7.9-15.4 QD1 LEU 22 - HB2 LEU 48 far 0 81 0 - 8.3-27.7 QD2 LEU 69 - HB3 LEU 103 far 0 89 0 - 8.4-12.9 QG2 VAL 57 - HB3 LEU 122 far 0 75 0 - 9.1-11.9 QG2 ILE 32 - HB3 LEU 122 far 0 60 0 - 9.2-16.3 QG2 VAL 57 - HB3 LEU 103 far 0 81 0 - 9.3-11.6 QG2 VAL 20 - HB3 LEU 103 far 0 80 0 - 9.6-30.1 QD2 LEU 123 - HB3 LEU 98 far 0 99 0 - 9.8-13.5 QD2 LEU 69 - HB3 LEU 98 far 0 99 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3175 from cnoeabs.peaks (8.29, 1.78, 41.76 ppm; 4.42 A): 6 out of 25 assignments used, quality = 1.00: * H SER 99 + HB3 LEU 98 OK 100 100 100 100 2.2-3.8 4.6=88, 3166/1.8=80...(22) H LEU 49 + HB2 LEU 48 OK 92 92 100 100 2.1-4.1 6598=94, 6589/6584=68...(45) H VAL 126 + HB3 LEU 122 OK 82 86 100 96 4.2-5.5 4021/11678=39...(21) H LEU 96 + HB3 LEU 98 OK 70 89 85 93 5.0-6.3 3.6/2963=63...(14) H SER 99 + HB3 LEU 122 OK 70 86 85 96 3.1-7.8 7378=31, 11382/3.1=24...(34) H LEU 96 + HB3 LEU 122 OK 34 70 50 97 4.4-7.1 2.9/3858=18...(40) H LEU 69 - HB3 LEU 122 far 0 83 0 - 5.9-12.0 H SER 99 - HB3 LEU 103 far 0 92 0 - 6.0-7.6 H GLU 30 - HB2 LEU 48 far 0 55 0 - 6.1-21.8 H LEU 69 - HB2 LEU 48 far 0 95 0 - 6.4-11.8 H GLY 111 - HB3 LEU 103 far 0 85 0 - 6.7-13.5 H ALA 110 - HB3 LEU 103 far 0 88 0 - 7.3-13.6 H ALA 110 - HB3 LEU 98 far 0 98 0 - 7.6-22.6 H ALA 21 - HB2 LEU 48 far 0 85 0 - 7.9-30.5 H ALA 110 - HB3 LEU 122 far 0 81 0 - 8.1-17.9 H VAL 126 - HB3 LEU 98 far 0 100 0 - 8.3-12.3 H LEU 43 - HB2 LEU 48 far 0 97 0 - 8.7-11.2 H TYR 72 - HB3 LEU 122 far 0 43 0 - 8.7-12.6 H GLY 17 - HB2 LEU 48 far 0 58 0 - 8.9-32.1 H LEU 49 - HB3 LEU 122 far 0 79 0 - 9.0-13.1 H GLY 111 - HB3 LEU 122 far 0 79 0 - 9.6-17.9 H ALA 21 - HB3 LEU 98 far 0 90 0 - 9.7-41.6 H LEU 96 - HB3 LEU 103 far 0 76 0 - 9.8-11.3 H VAL 126 - HB3 LEU 103 far 0 92 0 - 9.9-12.0 H GLY 111 - HB3 LEU 98 far 0 97 0 - 9.9-22.4 Violated in 0 structures by 0.00 A. Peak 3176 from cnoeabs.peaks (7.74, 1.71, 26.74 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 98 + HG LEU 98 OK 100 100 100 100 2.0-4.2 7365=93, 3192/2.1=67...(21) HE22 GLN 68 - HG LEU 48 far 11 71 15 - 3.9-12.5 H LEU 53 - HG LEU 48 far 0 76 0 - 6.2-10.1 H GLU 55 - HG LEU 48 far 0 88 0 - 8.9-13.3 H VAL 118 - HG LEU 98 far 0 85 0 - 9.3-12.9 Violated in 6 structures by 0.11 A. Peak 3177 from cnoeabs.peaks (4.11, 1.71, 26.74 ppm; 3.74 A): 4 out of 7 assignments used, quality = 1.00: * HA LEU 98 + HG LEU 98 OK 100 100 100 100 2.9-4.3 3.7=100 HA LEU 48 + HG LEU 48 OK 99 99 100 100 3.1-4.2 3.7=100 HA CYS 45 + HG LEU 48 OK 86 88 100 98 3.3-4.9 1438/3.0=41, 10886=40...(14) HA LEU 49 + HG LEU 48 OK 54 99 55 98 2.8-6.5 2.9/6600=40...(32) HA ALA 52 - HG LEU 48 far 0 66 0 - 6.0-10.0 HA ILE 32 - HG LEU 48 far 0 99 0 - 7.4-18.8 HA GLN 101 - HG LEU 98 far 0 100 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 3178 from cnoeabs.peaks (1.65, 1.71, 26.74 ppm; 4.35 A): 3 out of 20 assignments used, quality = 1.00: * HB2 LEU 98 + HG LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HG LEU 98 OK 60 99 70 86 2.6-7.5 5.0/11468=44...(21) HD2 LYS 95 + HG LEU 98 OK 42 100 50 84 3.4-8.1 5.0/11468=44...(21) HD3 LYS 24 - HG LEU 48 far 10 97 10 - 5.2-26.6 HD2 LYS 24 - HG LEU 48 far 10 96 10 - 5.5-28.0 HD3 LYS 24 - HG LEU 98 far 5 99 5 - 5.2-35.7 HD2 LYS 24 - HG LEU 98 far 5 98 5 - 4.7-36.7 HD3 LYS 26 - HG LEU 48 far 5 98 5 - 4.5-27.9 HD2 LYS 26 - HG LEU 48 far 5 97 5 - 5.3-28.4 HD2 LYS 31 - HG LEU 48 far 5 96 5 - 5.5-23.7 HD3 LYS 36 - HG LEU 48 far 4 84 5 - 4.4-15.3 HD2 LYS 36 - HG LEU 48 far 4 84 5 - 4.5-16.4 HD2 LYS 19 - HG LEU 48 far 0 99 0 - 5.9-34.2 HD3 LYS 31 - HG LEU 48 far 0 97 0 - 6.0-22.5 HB2 LEU 69 - HG LEU 48 far 0 86 0 - 6.4-11.7 HD3 LYS 19 - HG LEU 48 far 0 99 0 - 6.8-35.6 HG LEU 62 - HG LEU 48 far 0 99 0 - 7.1-15.3 HG3 ARG 23 - HG LEU 48 far 0 66 0 - 7.5-28.2 HG3 ARG 23 - HG LEU 98 far 0 68 0 - 8.5-37.8 HD2 LYS 26 - HG LEU 98 far 0 99 0 - 9.9-30.0 Violated in 0 structures by 0.00 A. Peak 3179 from cnoeabs.peaks (1.78, 1.71, 26.74 ppm; 4.35 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 98 + HG LEU 98 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 48 + HG LEU 48 OK 99 99 100 100 2.3-2.9 3.0=100 HB3 LYS 19 - HG LEU 48 far 3 63 5 - 4.2-32.0 HB3 LYS 24 - HG LEU 98 far 3 60 5 - 5.8-32.7 HB3 LYS 24 - HG LEU 48 far 0 58 0 - 5.9-25.3 HB3 LEU 122 - HG LEU 98 far 0 98 0 - 6.2-11.4 HB3 LYS 31 - HG LEU 48 far 0 63 0 - 7.0-23.1 HB3 LEU 103 - HG LEU 98 far 0 99 0 - 9.5-11.1 HG LEU 100 - HG LEU 98 far 0 99 0 - 9.8-11.2 HG LEU 100 - HG LEU 48 far 0 97 0 - 9.8-19.3 Violated in 0 structures by 0.00 A. Peak 3180 from cnoeabs.peaks (1.71, 1.71, 26.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 98 + HG LEU 98 OK 100 100 - 100 HG LEU 48 + HG LEU 48 OK 99 99 - 100 Peak 3181 from cnoeabs.peaks (0.86, 1.71, 26.74 ppm; 2.78 A): 2 out of 12 assignments used, quality = 1.00: * QD1 LEU 98 + HG LEU 98 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 98 + HG LEU 98 OK 93 93 100 100 2.1-2.1 2.1=100 QG2 VAL 20 - HG LEU 48 far 3 58 5 - 3.3-24.8 QD2 LEU 69 - HG LEU 48 far 0 98 0 - 4.3-9.4 QG2 ILE 32 - HG LEU 48 far 0 97 0 - 4.9-13.4 QD2 LEU 70 - HG LEU 98 far 0 99 0 - 5.9-9.9 QD2 LEU 123 - HG LEU 48 far 0 76 0 - 6.2-10.6 QG2 VAL 57 - HG LEU 48 far 0 99 0 - 6.6-11.5 QD2 LEU 22 - HG LEU 48 far 0 78 0 - 7.7-24.7 QD2 LEU 70 - HG LEU 48 far 0 98 0 - 8.0-15.3 QG2 VAL 20 - HG LEU 98 far 0 60 0 - 8.9-33.1 QD2 LEU 22 - HG LEU 98 far 0 81 0 - 10.0-33.4 Violated in 0 structures by 0.00 A. Peak 3182 from cnoeabs.peaks (0.88, 1.71, 26.74 ppm; 3.07 A): 2 out of 12 assignments used, quality = 1.00: * QD2 LEU 98 + HG LEU 98 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 98 + HG LEU 98 OK 93 93 100 100 2.1-2.1 2.1=100 QD2 LEU 69 - HG LEU 48 far 5 98 5 - 4.3-9.4 QG2 VAL 20 - HG LEU 48 far 4 90 5 - 3.3-24.8 QG1 VAL 118 - HG LEU 98 far 4 76 5 - 4.3-9.1 QG2 ILE 32 - HG LEU 48 far 0 76 0 - 4.9-13.4 QD2 LEU 70 - HG LEU 98 far 0 83 0 - 5.9-9.9 QD2 LEU 123 - HG LEU 48 far 0 97 0 - 6.2-10.6 QD1 LEU 22 - HG LEU 48 far 0 84 0 - 6.4-26.4 QG2 VAL 57 - HG LEU 48 far 0 91 0 - 6.6-11.5 QD2 LEU 70 - HG LEU 48 far 0 80 0 - 8.0-15.3 QG2 VAL 20 - HG LEU 98 far 0 92 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. Peak 3183 from cnoeabs.peaks (8.29, 1.71, 26.74 ppm; 4.38 A): 3 out of 10 assignments used, quality = 1.00: * H SER 99 + HG LEU 98 OK 100 100 100 100 3.6-4.9 3191/2.1=70, 3166/3.0=64...(17) H LEU 49 + HG LEU 48 OK 95 95 100 100 2.7-4.8 6600=73, 6589/6586=65...(41) H LEU 96 + HG LEU 98 OK 59 89 70 96 4.8-7.5 3.6/11468=63...(20) H GLU 30 - HG LEU 48 poor 12 58 20 - 5.2-20.5 H ALA 21 - HG LEU 48 far 0 88 0 - 6.6-28.2 H LEU 69 - HG LEU 48 far 0 98 0 - 6.8-11.8 H GLY 17 - HG LEU 48 far 0 60 0 - 8.6-29.7 H VAL 126 - HG LEU 98 far 0 100 0 - 9.2-12.5 H GLU 30 - HG LEU 98 far 0 60 0 - 9.4-25.8 H ALA 110 - HG LEU 98 far 0 98 0 - 9.5-24.5 Violated in 0 structures by 0.00 A. Peak 3184 from cnoeabs.peaks (7.74, 0.86, 23.66 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 98 + QD1 LEU 98 OK 100 100 100 100 3.2-4.3 3176/2.1=78, 2.9/3185=75...(24) H LEU 98 + QD2 LEU 98 OK 44 44 100 100 1.6-2.7 3176/2.1=78, 7364/3.1=66...(22) H VAL 118 - QD1 LEU 98 far 0 85 0 - 6.1-11.0 H VAL 118 - QD2 LEU 98 far 0 32 0 - 6.6-11.0 Violated in 0 structures by 0.00 A. Peak 3185 from cnoeabs.peaks (4.11, 0.86, 23.66 ppm; 3.01 A): 2 out of 7 assignments used, quality = 0.98: * HA LEU 98 + QD1 LEU 98 OK 96 100 100 96 3.0-4.1 4.0=44, 2.9/3184=26...(20) HA LEU 98 + QD2 LEU 98 OK 43 44 100 96 1.8-3.4 4.0=44, 3153/2.1=21...(25) HA GLN 101 - QD2 LEU 98 far 0 44 0 - 5.8-6.8 HA GLN 101 - QD1 LEU 98 far 0 100 0 - 7.2-8.5 HA GLN 104 - QD1 LEU 98 far 0 89 0 - 9.8-12.6 HA GLN 104 - QD2 LEU 98 far 0 34 0 - 9.8-11.3 HA PHE 89 - QD2 LEU 98 far 0 31 0 - 9.8-11.9 Violated in 1 structures by 0.01 A. Peak 3186 from cnoeabs.peaks (1.65, 0.86, 23.66 ppm; 3.12 A): 2 out of 19 assignments used, quality = 1.00: * HB2 LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.0-2.7 3.1=100 HB2 LEU 98 + QD2 LEU 98 OK 44 44 100 100 2.7-3.2 3.1=100 HD3 LYS 95 - QD2 LEU 98 poor 19 42 45 - 3.4-8.2 HD3 LYS 95 - QD1 LEU 98 poor 17 99 30 59 3.1-7.5 5.0/11469=16...(16) HD2 LYS 95 - QD1 LEU 98 poor 14 100 25 57 3.0-7.5 5.0/11469=16...(16) HD2 LYS 95 - QD2 LEU 98 far 7 44 15 - 4.1-7.3 HD3 LYS 24 - QD1 LEU 98 far 5 99 5 - 2.3-31.5 HD2 LYS 24 - QD1 LEU 98 far 5 98 5 - 2.1-32.5 HD3 LYS 24 - QD2 LEU 98 far 2 42 5 - 4.1-29.5 HD2 LYS 24 - QD2 LEU 98 far 2 41 5 - 4.4-30.5 HG3 ARG 23 - QD1 LEU 98 far 0 68 0 - 7.3-33.3 HB2 LEU 123 - QD2 LEU 98 far 0 44 0 - 8.0-12.6 HG3 ARG 23 - QD2 LEU 98 far 0 24 0 - 8.4-31.0 HD2 LYS 26 - QD1 LEU 98 far 0 99 0 - 8.4-26.3 HD3 LYS 26 - QD1 LEU 98 far 0 99 0 - 9.0-27.3 HB2 LEU 123 - QD1 LEU 98 far 0 100 0 - 9.6-13.6 HB2 LEU 69 - QD2 LEU 98 far 0 34 0 - 9.9-12.8 HD3 LYS 26 - QD2 LEU 98 far 0 43 0 - 9.9-26.0 QB ALA 88 - QD2 LEU 98 far 0 41 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 3187 from cnoeabs.peaks (1.78, 0.86, 23.66 ppm; 3.27 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 98 + QD2 LEU 98 OK 44 44 100 100 2.4-3.1 3.1=100 HB3 LEU 122 - QD2 LEU 98 poor 10 41 25 - 3.2-8.7 HB3 LYS 24 - QD1 LEU 98 far 3 60 5 - 3.3-29.2 HB3 LEU 122 - QD1 LEU 98 far 0 98 0 - 5.1-10.4 HB3 LYS 24 - QD2 LEU 98 far 0 21 0 - 5.9-27.2 HB3 LEU 103 - QD2 LEU 98 far 0 42 0 - 6.4-9.0 HB3 LEU 103 - QD1 LEU 98 far 0 99 0 - 6.6-10.0 HG LEU 100 - QD2 LEU 98 far 0 42 0 - 6.8-8.6 HG LEU 100 - QD1 LEU 98 far 0 99 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 3188 from cnoeabs.peaks (1.71, 0.86, 23.66 ppm; 2.66 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 98 + QD2 LEU 98 OK 44 44 100 100 2.1-2.1 2.1=100 HB2 LEU 70 - QD2 LEU 98 far 0 44 0 - 5.8-9.1 HB3 LEU 70 - QD2 LEU 98 far 0 43 0 - 6.9-8.9 HG3 ARG 90 - QD2 LEU 98 far 0 28 0 - 7.9-12.3 HB3 LEU 70 - QD1 LEU 98 far 0 100 0 - 8.3-11.0 HB2 LEU 70 - QD1 LEU 98 far 0 100 0 - 8.4-11.3 HG3 ARG 90 - QD1 LEU 98 far 0 76 0 - 8.9-13.8 Violated in 0 structures by 0.00 A. Peak 3189 from cnoeabs.peaks (0.86, 0.86, 23.66 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 98 + QD1 LEU 98 OK 100 100 - 100 QD2 LEU 98 + QD2 LEU 98 OK 37 37 - 100 Peak 3190 from cnoeabs.peaks (0.88, 0.86, 23.66 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 98 + QD1 LEU 98 OK 93 93 - 100 QD2 LEU 98 + QD2 LEU 98 OK 44 44 - 100 Reference assignment not found: QD2 LEU 98 - QD1 LEU 98 Peak 3191 from cnoeabs.peaks (8.29, 0.86, 23.66 ppm; 4.19 A): 3 out of 12 assignments used, quality = 1.00: * H SER 99 + QD1 LEU 98 OK 100 100 100 100 2.3-4.8 3.6/3185=67, 3166/3.1=57...(22) H SER 99 + QD2 LEU 98 OK 44 44 100 99 1.3-4.2 3166/3.1=57, 7375/4.8=44...(25) H LEU 96 + QD2 LEU 98 OK 30 34 95 92 2.6-5.8 11355=32, 3.6/11440=29...(24) H LEU 96 - QD1 LEU 98 far 13 89 15 - 4.6-6.7 H VAL 126 - QD2 LEU 98 far 0 44 0 - 6.1-10.3 H ALA 110 - QD1 LEU 98 far 0 98 0 - 7.3-21.1 H VAL 126 - QD1 LEU 98 far 0 100 0 - 7.8-11.3 H ALA 110 - QD2 LEU 98 far 0 41 0 - 8.4-20.2 H GLY 111 - QD1 LEU 98 far 0 97 0 - 8.5-21.1 H GLU 30 - QD2 LEU 98 far 0 21 0 - 8.9-20.7 H ALA 21 - QD1 LEU 98 far 0 90 0 - 9.3-36.5 H GLU 30 - QD1 LEU 98 far 0 60 0 - 9.5-22.6 Violated in 0 structures by 0.00 A. Peak 3192 from cnoeabs.peaks (7.74, 0.88, 24.02 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 98 + QD2 LEU 98 OK 100 100 100 100 1.6-2.7 3176/2.1=85, 4.8=74...(25) H LEU 98 + QD1 LEU 98 OK 44 44 100 100 3.2-4.3 3176/2.1=85, 4.8=74...(24) H VAL 118 - QD1 LEU 98 far 0 32 0 - 6.1-11.0 H VAL 118 - QD2 LEU 98 far 0 85 0 - 6.6-11.0 Violated in 0 structures by 0.00 A. Peak 3193 from cnoeabs.peaks (4.11, 0.88, 24.02 ppm; 3.48 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 98 + QD2 LEU 98 OK 100 100 100 100 1.8-3.4 4.0=67, 2.9/3192=49...(25) HA LEU 98 + QD1 LEU 98 OK 44 44 100 99 3.0-4.1 4.0=67, 3153/2.1=30...(21) HA GLN 101 - QD2 LEU 98 far 0 100 0 - 5.8-6.8 HA GLN 101 - QD1 LEU 98 far 0 44 0 - 7.2-8.5 HA GLN 104 - QD1 LEU 98 far 0 34 0 - 9.8-12.6 HA GLN 104 - QD2 LEU 98 far 0 89 0 - 9.8-11.3 HA PHE 89 - QD2 LEU 98 far 0 83 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 3194 from cnoeabs.peaks (1.65, 0.88, 24.02 ppm; 3.48 A): 4 out of 19 assignments used, quality = 1.00: * HB2 LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.7-3.2 3.1=100 HB2 LEU 98 + QD1 LEU 98 OK 44 44 100 100 2.0-2.7 3.1=100 HD3 LYS 95 + QD2 LEU 98 OK 31 99 45 69 3.4-8.2 5.0/11470=23...(16) HD2 LYS 95 + QD2 LEU 98 OK 23 100 35 67 4.1-7.3 5.0/11470=23, ~3178=10...(16) HD3 LYS 95 - QD1 LEU 98 poor 19 42 45 - 3.1-7.5 HD2 LYS 95 - QD1 LEU 98 poor 18 44 40 - 3.0-7.5 HD3 LYS 24 - QD2 LEU 98 far 5 99 5 - 4.1-29.5 HD2 LYS 24 - QD2 LEU 98 far 5 98 5 - 4.4-30.5 HD3 LYS 24 - QD1 LEU 98 far 2 42 5 - 2.3-31.5 HD2 LYS 24 - QD1 LEU 98 far 2 41 5 - 2.1-32.5 HG3 ARG 23 - QD1 LEU 98 far 0 24 0 - 7.3-33.3 HB2 LEU 123 - QD2 LEU 98 far 0 100 0 - 8.0-12.6 HG3 ARG 23 - QD2 LEU 98 far 0 68 0 - 8.4-31.0 HD2 LYS 26 - QD1 LEU 98 far 0 42 0 - 8.4-26.3 HD3 LYS 26 - QD1 LEU 98 far 0 43 0 - 9.0-27.3 HB2 LEU 123 - QD1 LEU 98 far 0 44 0 - 9.6-13.6 HB2 LEU 69 - QD2 LEU 98 far 0 89 0 - 9.9-12.8 HD3 LYS 26 - QD2 LEU 98 far 0 99 0 - 9.9-26.0 QB ALA 88 - QD2 LEU 98 far 0 98 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 3195 from cnoeabs.peaks (1.78, 0.88, 24.02 ppm; 3.59 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.4-3.1 3.1=100 HB3 LEU 98 + QD1 LEU 98 OK 44 44 100 100 2.0-3.2 3.1=100 HB3 LEU 122 - QD2 LEU 98 poor 5 98 25 20 3.2-8.7 11471/11478=5...(8) HB3 LYS 24 - QD1 LEU 98 far 1 21 5 - 3.3-29.2 HB3 LEU 122 - QD1 LEU 98 far 0 41 0 - 5.1-10.4 HB3 LYS 24 - QD2 LEU 98 far 0 60 0 - 5.9-27.2 HB3 LEU 103 - QD2 LEU 98 far 0 99 0 - 6.4-9.0 HB3 LEU 103 - QD1 LEU 98 far 0 42 0 - 6.6-10.0 HG LEU 100 - QD2 LEU 98 far 0 99 0 - 6.8-8.6 HG LEU 100 - QD1 LEU 98 far 0 42 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 3196 from cnoeabs.peaks (1.71, 0.88, 24.02 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 98 + QD1 LEU 98 OK 44 44 100 100 2.1-2.1 2.1=100 HB2 LEU 70 - QD2 LEU 98 far 0 100 0 - 5.8-9.1 HB3 LEU 70 - QD2 LEU 98 far 0 100 0 - 6.9-8.9 HG3 ARG 90 - QD2 LEU 98 far 0 76 0 - 7.9-12.3 HB3 LEU 70 - QD1 LEU 98 far 0 43 0 - 8.3-11.0 HB2 LEU 70 - QD1 LEU 98 far 0 44 0 - 8.4-11.3 HG3 ARG 90 - QD1 LEU 98 far 0 28 0 - 8.9-13.8 Violated in 0 structures by 0.00 A. Peak 3197 from cnoeabs.peaks (0.86, 0.88, 24.02 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QD2 LEU 98 + QD2 LEU 98 OK 93 93 - 100 QD1 LEU 98 + QD1 LEU 98 OK 44 44 - 100 Reference assignment not found: QD1 LEU 98 - QD2 LEU 98 Peak 3198 from cnoeabs.peaks (0.88, 0.88, 24.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 98 + QD2 LEU 98 OK 100 100 - 100 QD1 LEU 98 + QD1 LEU 98 OK 37 37 - 100 Peak 3199 from cnoeabs.peaks (8.29, 0.88, 24.02 ppm; 5.66 A): 4 out of 12 assignments used, quality = 1.00: * H SER 99 + QD2 LEU 98 OK 100 100 100 100 1.3-4.2 3166/3.1=89...(28) H LEU 96 + QD2 LEU 98 OK 88 89 100 99 2.6-5.8 3.6/11470=74...(27) H SER 99 + QD1 LEU 98 OK 44 44 100 100 2.3-4.8 3166/3.1=89, 7375/4.8=76...(24) H LEU 96 + QD1 LEU 98 OK 34 34 100 98 4.6-6.7 3.6/11440=46...(24) H VAL 126 - QD2 LEU 98 lone 3 100 30 10 6.1-10.3 3075/11823=3...(3) H ALA 110 - QD1 LEU 98 far 0 41 0 - 7.3-21.1 H VAL 126 - QD1 LEU 98 far 0 44 0 - 7.8-11.3 H ALA 110 - QD2 LEU 98 far 0 98 0 - 8.4-20.2 H GLY 111 - QD1 LEU 98 far 0 40 0 - 8.5-21.1 H GLU 30 - QD2 LEU 98 far 0 60 0 - 8.9-20.7 H ALA 21 - QD1 LEU 98 far 0 35 0 - 9.3-36.5 H GLU 30 - QD1 LEU 98 far 0 21 0 - 9.5-22.6 Violated in 0 structures by 0.00 A. Peak 3200 from cnoeabs.peaks (8.29, 4.22, 62.42 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * H SER 99 + HA SER 99 OK 100 100 100 100 2.8-2.9 2.9=100 H ALA 110 - HA SER 99 far 5 98 5 - 4.4-18.8 H GLY 111 - HA SER 99 far 0 97 0 - 6.7-18.6 H LEU 96 - HA SER 99 far 0 89 0 - 7.3-8.4 H VAL 126 - HA SER 99 far 0 100 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 3201 from cnoeabs.peaks (4.22, 4.22, 62.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 99 + HA SER 99 OK 100 100 - 100 Peak 3202 from cnoeabs.peaks (3.76, 4.22, 62.42 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 99 + HA SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 97 - HA SER 99 far 0 100 0 - 6.0-7.2 Violated in 0 structures by 0.00 A. Peak 3203 from cnoeabs.peaks (4.00, 4.22, 62.42 ppm; 4.02 A): 2 out of 6 assignments used, quality = 1.00: * HB3 SER 99 + HA SER 99 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 103 + HA SER 99 OK 39 97 50 81 4.4-7.1 3397/11481=26...(20) HA LEU 119 - HA SER 99 far 4 83 5 - 3.8-9.5 HA LYS 95 - HA SER 99 far 0 93 0 - 5.8-7.0 HB3 SER 106 - HA SER 99 far 0 65 0 - 6.7-14.5 HB3 SER 124 - HA SER 99 far 0 73 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 3204 from cnoeabs.peaks (8.49, 4.22, 62.42 ppm; 5.33 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 100 + HA SER 99 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 97 + HA SER 99 OK 27 95 30 96 6.4-7.2 7385/2.9=44, 3213/3.0=34...(13) Violated in 0 structures by 0.00 A. Peak 3205 from cnoeabs.peaks (7.85, 4.22, 62.42 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HA SER 99 OK 100 100 100 100 3.9-4.4 7443=100, 7455/3332=74...(17) Violated in 0 structures by 0.00 A. Peak 3206 from cnoeabs.peaks (2.08, 4.22, 62.42 ppm; 5.06 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 102 + HA SER 99 OK 100 100 100 100 3.2-5.9 3332=100, 1.8/3207=95...(10) HB VAL 118 + HA SER 99 OK 71 71 100 100 4.3-6.4 2.1/11599=85...(14) HG2 PRO 117 - HA SER 99 lone 5 63 45 17 4.9-9.0 3750/10271=16 HB3 GLN 27 - HA SER 99 far 0 81 0 - 8.0-27.6 HG3 PRO 113 - HA SER 99 far 0 81 0 - 8.4-19.5 HB VAL 126 - HA SER 99 far 0 76 0 - 9.1-13.9 Violated in 1 structures by 0.00 A. Peak 3207 from cnoeabs.peaks (2.23, 4.22, 62.42 ppm; 4.32 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 102 + HA SER 99 OK 100 100 100 100 3.4-5.4 1.8/3332=86, 3.8/7443=54...(15) HB2 GLN 101 - HA SER 99 far 0 76 0 - 6.3-7.9 HB3 GLU 97 - HA SER 99 far 0 95 0 - 7.0-8.4 HB3 GLN 104 - HA SER 99 far 0 99 0 - 7.5-11.1 HB3 LEU 96 - HA SER 99 far 0 99 0 - 7.7-9.4 Violated in 7 structures by 0.19 A. Peak 3208 from cnoeabs.peaks (4.04, 3.76, 63.21 ppm; 3.93 A): 3 out of 8 assignments used, quality = 0.99: HA LEU 122 + HB2 SER 99 OK 90 99 95 97 2.9-5.7 3214/1.8=34...(30) * HA LEU 96 + HB2 SER 99 OK 82 100 100 82 2.8-5.2 3214/1.8=30, 3.6/3213=17...(20) HA LYS 95 + HB2 SER 99 OK 34 78 70 62 4.3-6.8 2960/3.7=14...(12) HA LEU 119 - HB2 SER 99 far 5 90 5 - 2.3-8.6 HA LEU 103 - HB2 SER 99 far 0 71 0 - 6.1-9.2 HB3 SER 124 - HB2 SER 99 far 0 96 0 - 6.8-9.1 HA ALA 92 - HB2 SER 99 far 0 99 0 - 7.9-9.9 HA GLU 102 - HB2 SER 99 far 0 98 0 - 7.9-9.0 Violated in 2 structures by 0.03 A. Peak 3209 from cnoeabs.peaks (8.29, 3.76, 63.21 ppm; 4.22 A): 2 out of 5 assignments used, quality = 1.00: * H SER 99 + HB2 SER 99 OK 100 100 100 100 2.1-3.4 3.7=100 H LEU 96 + HB2 SER 99 OK 22 89 30 84 4.6-7.1 2.9/3208=28, 3.7/3213=20...(18) H ALA 110 - HB2 SER 99 far 0 98 0 - 6.0-19.4 H VAL 126 - HB2 SER 99 far 0 100 0 - 6.4-8.8 H GLY 111 - HB2 SER 99 far 0 97 0 - 7.7-19.3 Violated in 0 structures by 0.00 A. Peak 3210 from cnoeabs.peaks (4.22, 3.76, 63.21 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 99 + HB2 SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 94 - HB2 SER 99 far 0 92 0 - 7.9-10.0 HA SER 124 - HB2 SER 99 far 0 76 0 - 9.0-10.5 HA HIS 67 - HB2 SER 99 far 0 100 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 3211 from cnoeabs.peaks (3.76, 3.76, 63.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 99 + HB2 SER 99 OK 100 100 - 100 Peak 3212 from cnoeabs.peaks (4.00, 3.76, 63.21 ppm; 3.40 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 99 + HB2 SER 99 OK 100 100 100 100 1.8-1.8 1.8=100 HA LYS 95 - HB2 SER 99 poor 16 93 30 57 4.3-6.8 2960/3.7=13...(11) HA LEU 119 - HB2 SER 99 far 4 83 5 - 2.3-8.6 HA LEU 103 - HB2 SER 99 far 0 97 0 - 6.1-9.2 HB3 SER 124 - HB2 SER 99 far 0 73 0 - 6.8-9.1 HB2 SER 124 - HB2 SER 99 far 0 97 0 - 7.5-10.0 HB3 SER 106 - HB2 SER 99 far 0 65 0 - 9.6-15.6 Violated in 0 structures by 0.00 A. Peak 3213 from cnoeabs.peaks (8.49, 3.76, 63.21 ppm; 4.96 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB2 SER 99 OK 100 100 100 100 2.4-4.1 4.5=100 H GLU 97 + HB2 SER 99 OK 85 95 95 94 4.6-7.0 7385/3.7=35, 3.6/3208=32...(19) H LEU 70 - HB2 SER 99 far 0 78 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 3214 from cnoeabs.peaks (4.04, 4.00, 63.21 ppm; 4.35 A): 2 out of 8 assignments used, quality = 1.00: HA LEU 122 + HB3 SER 99 OK 97 99 100 98 2.4-5.6 3208/1.8=38...(20) * HA LEU 96 + HB3 SER 99 OK 87 100 100 87 3.2-5.5 3208/1.8=37, 3064=23...(19) HA LYS 95 - HB3 SER 99 far 12 78 15 - 4.4-7.1 HA LEU 119 - HB3 SER 99 far 5 90 5 - 3.5-8.4 HA LEU 103 - HB3 SER 99 far 4 71 5 - 5.8-9.1 HB3 SER 124 - HB3 SER 99 far 0 96 0 - 6.9-9.0 HA GLU 102 - HB3 SER 99 far 0 98 0 - 7.9-8.7 HA ALA 92 - HB3 SER 99 far 0 99 0 - 8.1-10.4 Violated in 0 structures by 0.00 A. Peak 3215 from cnoeabs.peaks (8.29, 4.00, 63.21 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * H SER 99 + HB3 SER 99 OK 100 100 100 100 2.1-3.6 3.7=100 H LEU 96 - HB3 SER 99 far 9 89 10 - 4.9-7.4 H ALA 110 - HB3 SER 99 far 0 98 0 - 5.9-18.1 H VAL 126 - HB3 SER 99 far 0 100 0 - 6.1-8.6 H GLY 111 - HB3 SER 99 far 0 97 0 - 7.3-17.8 Violated in 0 structures by 0.00 A. Peak 3216 from cnoeabs.peaks (4.22, 4.00, 63.21 ppm; 4.72 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 99 + HB3 SER 99 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 94 - HB3 SER 99 far 0 92 0 - 7.9-10.5 HA HIS 67 - HB3 SER 99 far 0 100 0 - 8.6-10.5 HA SER 124 - HB3 SER 99 far 0 76 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 3217 from cnoeabs.peaks (3.76, 4.00, 63.21 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 99 + HB3 SER 99 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLU 97 - HB3 SER 99 far 5 100 5 - 4.8-7.5 Violated in 0 structures by 0.00 A. Peak 3218 from cnoeabs.peaks (4.00, 4.00, 63.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 99 + HB3 SER 99 OK 100 100 - 100 Peak 3219 from cnoeabs.peaks (8.49, 4.00, 63.21 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB3 SER 99 OK 100 100 100 100 2.4-3.3 4.5=100 H GLU 97 + HB3 SER 99 OK 29 95 35 87 4.5-6.9 3213/1.8=33, 7385/3.7=32...(15) H LEU 70 - HB3 SER 99 far 0 78 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 3220 from cnoeabs.peaks (8.49, 3.96, 57.71 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 100 + HA LEU 100 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 97 - HA LEU 100 far 0 95 0 - 6.9-7.5 H LEU 70 - HA LEU 100 far 0 78 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 3221 from cnoeabs.peaks (3.96, 3.96, 57.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 100 + HA LEU 100 OK 100 100 - 100 Peak 3222 from cnoeabs.peaks (1.82, 3.96, 57.71 ppm; 4.48 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 100 + HA LEU 100 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LEU 122 + HA LEU 100 OK 62 63 100 98 3.5-5.9 3.1/11489=22...(43) HB3 LEU 103 + HA LEU 100 OK 59 60 100 99 1.6-2.7 1.8/3370=50, 3.9/7463=45...(25) HB3 LYS 26 - HA LEU 100 far 0 100 0 - 7.7-24.1 HB3 LEU 123 - HA LEU 100 far 0 81 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 3223 from cnoeabs.peaks (1.38, 3.96, 57.71 ppm; 4.35 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 100 + HA LEU 100 OK 100 100 100 100 2.2-2.5 3.0=100 QB ALA 110 - HA LEU 100 far 5 100 5 - 5.8-15.3 QB ALA 108 - HA LEU 100 far 5 100 5 - 5.7-11.1 HG LEU 96 - HA LEU 100 far 0 87 0 - 6.7-9.6 HB2 LEU 96 - HA LEU 100 far 0 100 0 - 6.8-9.3 QB ALA 109 - HA LEU 100 far 0 98 0 - 6.9-12.3 QB ALA 29 - HA LEU 100 far 0 100 0 - 8.1-14.4 QB ALA 28 - HA LEU 100 far 0 100 0 - 8.6-18.1 HG3 LYS 95 - HA LEU 100 far 0 99 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 3224 from cnoeabs.peaks (1.78, 3.96, 57.71 ppm; 4.55 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 100 + HA LEU 100 OK 100 100 100 100 2.7-3.8 3.7=100 HB3 LEU 103 + HA LEU 100 OK 90 90 100 99 1.6-2.7 1.8/3370=51, 3.9/7463=46...(31) HB3 LEU 122 + HA LEU 100 OK 88 89 100 99 3.5-5.9 3261/3258=23...(44) HB3 LEU 98 - HA LEU 100 far 0 99 0 - 7.3-8.7 HB2 LYS 26 - HA LEU 100 far 0 65 0 - 8.2-22.4 Violated in 0 structures by 0.00 A. Peak 3225 from cnoeabs.peaks (0.68, 3.96, 57.71 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + HA LEU 100 OK 100 100 100 100 1.8-3.7 3258=100, 3260/3.0=63...(30) QD2 LEU 62 - HA LEU 100 far 15 100 15 - 4.1-7.8 Violated in 1 structures by 0.00 A. Peak 3226 from cnoeabs.peaks (0.60, 3.96, 57.71 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HA LEU 100 OK 100 100 100 100 2.6-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3227 from cnoeabs.peaks (7.68, 3.96, 57.71 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HA LEU 100 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 95 - HA LEU 100 far 0 65 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 3228 from cnoeabs.peaks (8.08, 3.96, 57.71 ppm; 5.38 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 103 + HA LEU 100 OK 100 100 100 100 2.8-3.3 7463=81, 7424/3.6=71...(24) H ALA 108 - HA LEU 100 far 0 100 0 - 7.4-10.5 H ASN 120 - HA LEU 100 far 0 100 0 - 7.8-9.4 H ALA 109 - HA LEU 100 far 0 100 0 - 8.2-13.6 Violated in 0 structures by 0.00 A. Peak 3229 from cnoeabs.peaks (1.58, 3.96, 57.71 ppm; 4.30 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 103 + HA LEU 100 OK 99 100 100 99 2.4-4.2 3370=54, 3.9/7463=42...(29) HG LEU 103 + HA LEU 100 OK 77 81 100 95 3.2-5.2 3.0/3370=38, 5.0/7463=32...(27) HG LEU 122 + HA LEU 100 OK 57 65 90 97 3.1-6.1 2.1/11489=25...(33) HG LEU 123 - HA LEU 100 far 0 97 0 - 7.6-11.2 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (1.79, 3.96, 57.71 ppm; 4.66 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 100 OK 99 100 100 99 1.6-2.7 1.8/3370=54, 3.9/7463=48...(34) HB3 LEU 122 + HA LEU 100 OK 99 100 100 99 3.5-5.9 3.1/11489=23...(46) HG LEU 100 + HA LEU 100 OK 90 90 100 100 2.7-3.8 3.7=100 HB2 LEU 100 + HA LEU 100 OK 60 60 100 100 2.8-3.0 3.0=100 HB3 LEU 98 - HA LEU 100 far 0 99 0 - 7.3-8.7 HB3 LYS 26 - HA LEU 100 far 0 68 0 - 7.7-24.1 HB3 LEU 123 - HA LEU 100 far 0 38 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 3231 from cnoeabs.peaks (3.76, 1.82, 41.28 ppm; 4.83 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 97 + HB2 LEU 100 OK 100 100 100 100 2.1-3.8 3115=100, 10036/3.2=79...(30) HB2 SER 99 + HB2 LEU 100 OK 90 100 100 90 3.9-6.3 11477/1.8=36...(19) HB2 SER 99 - HB3 LEU 123 far 0 77 0 - 7.8-10.2 HA GLU 97 - HB3 LEU 123 far 0 78 0 - 9.6-12.8 HB3 SER 130 - HB3 LEU 123 far 0 70 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3232 from cnoeabs.peaks (8.49, 1.82, 41.28 ppm; 3.99 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.0-2.6 3.9=100 H GLU 97 + HB2 LEU 100 OK 94 95 100 99 4.4-5.4 2.8/3115=63, ~10036=27...(28) H LEU 70 - HB2 LEU 100 far 0 78 0 - 5.8-7.3 H LEU 100 - HB3 LEU 123 far 0 78 0 - 8.3-10.6 H LEU 70 - HB3 LEU 123 far 0 54 0 - 9.3-12.9 H ASP 47 - HB3 LEU 123 far 0 38 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 3233 from cnoeabs.peaks (3.96, 1.82, 41.28 ppm; 4.27 A): 1 out of 12 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 SER 107 - HB2 LEU 100 far 0 100 0 - 6.4-13.4 HA GLN 127 - HB3 LEU 123 far 0 74 0 - 6.6-8.2 HA LEU 100 - HB3 LEU 123 far 0 78 0 - 8.2-10.6 HB2 SER 106 - HB2 LEU 100 far 0 100 0 - 8.6-12.2 HB3 SER 106 - HB2 LEU 100 far 0 89 0 - 9.2-12.4 HA THR 65 - HB3 LEU 123 far 0 73 0 - 9.2-14.4 HA THR 65 - HB2 LEU 100 far 0 98 0 - 9.4-10.8 HB3 SER 51 - HB3 LEU 123 far 0 57 0 - 9.5-12.6 HD3 PRO 117 - HB2 LEU 100 far 0 98 0 - 9.8-15.2 HD3 PRO 117 - HB3 LEU 123 far 0 73 0 - 9.8-12.9 HB2 SER 51 - HB3 LEU 123 far 0 59 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 3234 from cnoeabs.peaks (1.82, 1.82, 41.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 100 + HB2 LEU 100 OK 100 100 - 100 HB3 LEU 123 + HB3 LEU 123 OK 56 56 - 100 Peak 3235 from cnoeabs.peaks (1.38, 1.82, 41.28 ppm; 3.47 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LEU 100 + HB2 LEU 100 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 96 + HB2 LEU 100 OK 43 87 60 83 3.9-7.0 11918/3.2=26...(33) HB2 LEU 96 - HB2 LEU 100 far 15 100 15 - 4.4-6.6 HB3 LEU 100 - HB3 LEU 123 far 0 78 0 - 6.4-9.0 QB ALA 108 - HB2 LEU 100 far 0 100 0 - 6.6-12.6 QB ALA 29 - HB2 LEU 100 far 0 100 0 - 7.1-13.3 HB2 LEU 96 - HB3 LEU 123 far 0 78 0 - 7.3-10.2 QB ALA 109 - HB2 LEU 100 far 0 98 0 - 7.6-14.1 QB ALA 110 - HB2 LEU 100 far 0 100 0 - 7.8-17.2 QB ALA 110 - HB3 LEU 123 far 0 77 0 - 8.4-18.0 HG3 LYS 95 - HB2 LEU 100 far 0 99 0 - 8.6-11.0 HG LEU 96 - HB3 LEU 123 far 0 61 0 - 8.6-11.4 QB ALA 29 - HB3 LEU 123 far 0 78 0 - 8.7-18.7 HG2 LYS 95 - HB2 LEU 100 far 0 99 0 - 9.2-10.9 QB ALA 28 - HB2 LEU 100 far 0 100 0 - 9.4-16.7 HG3 LYS 95 - HB3 LEU 123 far 0 76 0 - 9.6-14.2 Violated in 0 structures by 0.00 A. Peak 3236 from cnoeabs.peaks (1.78, 1.82, 41.28 ppm; 4.35 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 122 + HB2 LEU 100 OK 88 89 100 100 2.3-4.3 3245/1.8=24, ~10337=23...(56) HB3 LEU 103 + HB2 LEU 100 OK 88 90 100 97 4.4-5.5 ~3370=27, 3269/3.2=24...(34) HB3 LEU 122 - HB3 LEU 123 far 3 63 5 - 5.8-7.2 HB3 LEU 98 - HB2 LEU 100 far 0 99 0 - 6.4-8.0 HG LEU 100 - HB3 LEU 123 far 0 78 0 - 7.8-10.7 HB2 LYS 26 - HB2 LEU 100 far 0 65 0 - 8.8-21.4 HB3 LEU 103 - HB3 LEU 123 far 0 64 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 3237 from cnoeabs.peaks (0.68, 1.82, 41.28 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 62 + HB3 LEU 123 OK 49 77 65 98 3.2-7.4 10347/3.2=58...(35) QD2 LEU 62 - HB2 LEU 100 far 10 100 10 - 5.0-7.5 QD2 LEU 100 - HB3 LEU 123 far 0 78 0 - 6.0-9.9 Violated in 0 structures by 0.00 A. Peak 3238 from cnoeabs.peaks (0.60, 1.82, 41.28 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.0-2.6 3.2=100 QD1 LEU 100 - HB3 LEU 123 far 0 78 0 - 5.7-10.0 Violated in 0 structures by 0.00 A. Peak 3239 from cnoeabs.peaks (7.68, 1.82, 41.28 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HB2 LEU 100 OK 100 100 100 100 2.2-3.3 4.6=100 H LYS 95 - HB2 LEU 100 far 0 65 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 3240 from cnoeabs.peaks (3.76, 1.38, 41.28 ppm; 5.05 A): 4 out of 6 assignments used, quality = 1.00: * HA GLU 97 + HB3 LEU 100 OK 100 100 100 100 3.4-5.3 3115/1.8=98...(30) HB2 SER 99 + HB3 LEU 100 OK 99 100 100 99 3.9-6.2 4.5/7398=67, 11477=45...(22) HA GLU 97 + HB2 LEU 96 OK 87 87 100 100 4.6-5.7 11451/3.2=81...(48) HB2 SER 99 + HB2 LEU 96 OK 45 86 55 96 4.9-7.4 3208/3.0=36, 11477=28...(21) HB3 SER 130 - HB2 LEU 96 far 0 79 0 - 8.8-11.6 HA SER 130 - HB2 LEU 96 far 0 65 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 3241 from cnoeabs.peaks (8.49, 1.38, 41.28 ppm; 4.37 A): 4 out of 7 assignments used, quality = 1.00: * H LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.4-3.3 3.9=100 H GLU 97 + HB2 LEU 96 OK 77 78 100 99 3.5-4.3 4.4=99 H GLU 97 + HB3 LEU 100 OK 57 95 60 100 5.5-7.0 ~3115=49, 3232/1.8=42...(30) H LEU 100 + HB2 LEU 96 OK 29 87 35 95 5.1-7.0 3098/3.2=21, 7388/3.0=19...(42) H LEU 70 - HB2 LEU 96 far 0 61 0 - 6.0-7.7 H LEU 70 - HB3 LEU 100 far 0 78 0 - 6.0-7.9 H VAL 132 - HB2 LEU 96 far 0 75 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 3242 from cnoeabs.peaks (3.96, 1.38, 41.28 ppm; 4.19 A): 1 out of 12 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 SER 107 - HB3 LEU 100 far 0 100 0 - 6.1-13.5 HB3 SER 94 - HB2 LEU 96 far 0 80 0 - 6.6-8.6 HA GLN 127 - HB2 LEU 96 far 0 83 0 - 6.7-9.0 HA LEU 100 - HB2 LEU 96 far 0 87 0 - 6.8-9.3 HA GLU 91 - HB2 LEU 96 far 0 67 0 - 8.1-10.2 HA THR 65 - HB3 LEU 100 far 0 98 0 - 8.9-10.3 HB2 SER 106 - HB3 LEU 100 far 0 100 0 - 9.1-12.1 HD3 PRO 117 - HB3 LEU 100 far 0 98 0 - 9.4-14.7 HA2 GLY 111 - HB3 LEU 100 far 0 57 0 - 9.8-18.2 HB3 SER 106 - HB3 LEU 100 far 0 89 0 - 9.8-12.6 HA GLN 127 - HB3 LEU 100 far 0 99 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 3243 from cnoeabs.peaks (1.82, 1.38, 41.28 ppm; 3.40 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LEU 100 + HB3 LEU 100 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 122 + HB3 LEU 100 OK 59 63 100 94 1.9-4.0 3.1/10337=22, ~3870=12...(45) HB3 LEU 103 + HB3 LEU 100 OK 54 60 100 90 3.8-4.9 3259/3260=16...(31) HB3 LEU 122 + HB2 LEU 96 OK 29 48 65 93 3.4-5.9 3.1/10337=14, ~3331=9...(66) HB2 LEU 100 - HB2 LEU 96 far 13 87 15 - 4.4-6.6 HB VAL 93 - HB2 LEU 96 far 4 85 5 - 4.9-7.3 HB3 LEU 123 - HB3 LEU 100 far 0 81 0 - 6.4-9.0 HB3 LEU 123 - HB2 LEU 96 far 0 64 0 - 7.3-10.2 HB3 LEU 103 - HB2 LEU 96 far 0 46 0 - 8.7-11.0 HB3 LYS 26 - HB3 LEU 100 far 0 100 0 - 9.4-22.1 Violated in 0 structures by 0.00 A. Peak 3244 from cnoeabs.peaks (1.38, 1.38, 41.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 100 + HB3 LEU 100 OK 100 100 - 100 HB2 LEU 96 + HB2 LEU 96 OK 87 87 - 100 Peak 3245 from cnoeabs.peaks (1.78, 1.38, 41.28 ppm; 3.73 A): 4 out of 9 assignments used, quality = 1.00: * HG LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 LEU 122 + HB3 LEU 100 OK 87 89 100 98 1.9-4.0 3.1/10337=27...(51) HB3 LEU 103 + HB3 LEU 100 OK 86 90 100 95 3.8-4.9 ~3370=19, 3269/3.2=18...(37) HB3 LEU 122 + HB2 LEU 96 OK 59 71 85 98 3.4-5.9 3.1/10337=17, ~3331=11...(74) HG LEU 100 - HB2 LEU 96 far 0 87 0 - 5.4-9.4 HB3 LEU 98 - HB2 LEU 96 far 0 83 0 - 6.7-8.6 HB3 LEU 98 - HB3 LEU 100 far 0 99 0 - 6.9-9.5 HB3 LEU 103 - HB2 LEU 96 far 0 73 0 - 8.7-11.0 HB2 LYS 26 - HB3 LEU 100 far 0 65 0 - 9.6-21.1 Violated in 0 structures by 0.00 A. Peak 3246 from cnoeabs.peaks (0.68, 1.38, 41.28 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.2-3.2 3.2=100 QD2 LEU 62 + HB3 LEU 100 OK 59 100 65 91 3.8-6.6 10942=30, 10348/11421=27...(24) QD2 LEU 100 - HB2 LEU 96 far 4 87 5 - 4.5-7.5 QD2 LEU 62 - HB2 LEU 96 far 0 86 0 - 6.5-9.5 Violated in 0 structures by 0.00 A. Peak 3247 from cnoeabs.peaks (0.60, 1.38, 41.28 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.0-3.2 3.2=100 QD1 LEU 100 - HB2 LEU 96 far 9 87 10 - 4.4-7.3 Violated in 0 structures by 0.00 A. Peak 3248 from cnoeabs.peaks (7.68, 1.38, 41.28 ppm; 4.77 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 101 + HB3 LEU 100 OK 100 100 100 100 3.6-4.2 4.6=100 H LYS 95 + HB2 LEU 96 OK 50 50 100 99 4.1-5.8 7308/4.4=25, 9975/1.8=22...(43) H GLN 101 - HB2 LEU 96 far 4 87 5 - 6.1-7.8 H LYS 95 - HB3 LEU 100 far 0 65 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 3249 from cnoeabs.peaks (8.49, 1.78, 26.11 ppm; 4.28 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HG LEU 100 OK 100 100 100 100 4.3-4.7 3257/2.1=85, 7401/2.1=75...(36) H LEU 70 + HG LEU 100 OK 38 78 70 70 4.6-7.7 11094/2.1=49, ~11108=17...(7) H GLU 97 - HG LEU 100 far 0 95 0 - 6.5-7.8 Violated in 13 structures by 0.08 A. Peak 3250 from cnoeabs.peaks (3.96, 1.78, 26.11 ppm; 5.12 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 100 + HG LEU 100 OK 100 100 100 100 2.7-3.8 3.7=100 HB3 SER 107 - HG LEU 100 far 5 100 5 - 4.9-12.4 HA THR 65 - HG LEU 100 far 0 98 0 - 7.0-10.0 HB3 SER 106 - HG LEU 100 far 0 89 0 - 7.3-13.2 HB2 SER 106 - HG LEU 100 far 0 100 0 - 7.7-13.2 HA GLN 127 - HG LEU 100 far 0 99 0 - 9.7-14.0 HD3 PRO 117 - HG LEU 100 far 0 98 0 - 9.9-17.0 Violated in 0 structures by 0.00 A. Peak 3251 from cnoeabs.peaks (1.82, 1.78, 26.11 ppm; 4.35 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 100 + HG LEU 100 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 122 + HG LEU 100 OK 59 63 95 99 3.1-6.0 3.1/3903=26, 3259/2.1=20...(45) HB3 LEU 103 + HG LEU 100 OK 55 60 100 92 3.0-5.5 3259/2.1=29, 3267/2.1=29...(20) HB3 LYS 26 - HG LEU 100 far 0 100 0 - 7.7-21.8 HB3 LEU 123 - HG LEU 100 far 0 81 0 - 7.8-10.7 HB ILE 32 - HG LEU 100 far 0 100 0 - 9.7-17.1 HB3 LYS 24 - HG LEU 100 far 0 99 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 3252 from cnoeabs.peaks (1.38, 1.78, 26.11 ppm; 4.56 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 100 + HG LEU 100 OK 100 100 100 100 2.2-2.6 3.0=100 HG LEU 96 + HG LEU 100 OK 41 87 50 95 4.6-9.4 11918/2.1=55...(31) HB2 LEU 96 - HG LEU 100 poor 20 100 20 - 5.4-9.4 QB ALA 29 - HG LEU 100 far 5 100 5 - 5.9-12.0 QB ALA 108 - HG LEU 100 far 5 100 5 - 4.5-11.7 QB ALA 109 - HG LEU 100 far 5 98 5 - 5.6-13.0 QB ALA 28 - HG LEU 100 far 0 100 0 - 8.1-16.7 QB ALA 110 - HG LEU 100 far 0 100 0 - 8.6-15.8 Violated in 0 structures by 0.00 A. Peak 3253 from cnoeabs.peaks (1.78, 1.78, 26.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 100 + HG LEU 100 OK 100 100 - 100 Peak 3254 from cnoeabs.peaks (0.68, 1.78, 26.11 ppm; 3.81 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + HG LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 62 + HG LEU 100 OK 63 100 75 85 3.4-7.2 10942/3.0=22, ~2010=18...(21) Violated in 0 structures by 0.00 A. Peak 3255 from cnoeabs.peaks (0.60, 1.78, 26.11 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HG LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3257 from cnoeabs.peaks (8.49, 0.68, 23.54 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 100 + QD2 LEU 100 OK 100 100 100 100 2.7-4.1 7400=79, 2.9/3258=73...(32) H GLU 97 - QD2 LEU 100 poor 19 95 20 - 4.0-7.5 H LEU 70 - QD2 LEU 100 far 8 78 10 - 5.0-6.7 H LEU 100 - QD2 LEU 62 far 0 66 0 - 6.0-8.7 H LEU 70 - QD2 LEU 62 far 0 45 0 - 6.7-8.0 H ASP 47 - QD2 LEU 62 far 0 31 0 - 7.6-10.3 H GLU 97 - QD2 LEU 62 far 0 58 0 - 8.5-10.7 Violated in 16 structures by 0.20 A. Peak 3258 from cnoeabs.peaks (3.96, 0.68, 23.54 ppm; 3.08 A): 1 out of 26 assignments used, quality = 0.99: * HA LEU 100 + QD2 LEU 100 OK 99 100 100 99 1.8-3.7 3225=72, 3.0/3260=47...(23) HB3 SER 107 - QD2 LEU 100 far 10 100 10 - 3.0-10.5 HA LEU 100 - QD2 LEU 62 far 7 66 10 - 4.1-7.8 HB2 SER 106 - QD2 LEU 100 far 0 100 0 - 5.1-9.8 HA THR 65 - QD2 LEU 62 far 0 62 0 - 5.1-6.2 HB3 SER 106 - QD2 LEU 100 far 0 89 0 - 5.6-10.1 HA THR 65 - QD2 LEU 100 far 0 98 0 - 6.0-8.9 HD3 PRO 117 - QD2 LEU 62 far 0 62 0 - 6.3-14.2 HB2 SER 51 - QD2 LEU 62 far 0 50 0 - 6.4-10.3 HB3 SER 107 - QD2 LEU 62 far 0 66 0 - 6.6-12.8 HB3 SER 51 - QD2 LEU 62 far 0 48 0 - 6.6-10.2 HB2 SER 106 - QD2 LEU 62 far 0 65 0 - 6.9-13.7 HA GLN 127 - QD2 LEU 62 far 0 63 0 - 7.2-9.8 HB3 SER 106 - QD2 LEU 62 far 0 53 0 - 7.2-14.0 HD3 PRO 117 - QD2 LEU 100 far 0 98 0 - 7.3-13.9 HA2 GLY 17 - QD2 LEU 62 far 0 66 0 - 7.4-31.3 HD3 PRO 113 - QD2 LEU 62 far 0 41 0 - 7.7-12.6 HD3 PRO 113 - QD2 LEU 100 far 0 73 0 - 7.9-15.9 HA3 GLY 17 - QD2 LEU 62 far 0 66 0 - 8.1-30.0 HA2 GLY 111 - QD2 LEU 62 far 0 31 0 - 8.3-13.0 HA VAL 20 - QD2 LEU 62 far 0 33 0 - 8.4-26.5 HA2 GLY 111 - QD2 LEU 100 far 0 57 0 - 8.7-15.7 HA3 GLY 111 - QD2 LEU 62 far 0 54 0 - 8.7-13.9 HB3 SER 94 - QD2 LEU 100 far 0 97 0 - 8.9-12.5 HA GLN 127 - QD2 LEU 100 far 0 99 0 - 9.3-11.9 HA3 GLY 111 - QD2 LEU 100 far 0 90 0 - 9.3-16.2 Violated in 4 structures by 0.10 A. Peak 3259 from cnoeabs.peaks (1.82, 0.68, 23.54 ppm; 3.31 A): 4 out of 16 assignments used, quality = 1.00: * HB2 LEU 100 + QD2 LEU 100 OK 100 100 100 100 2.0-3.2 3.2=100 HB3 LEU 122 + QD2 LEU 100 OK 47 63 80 93 3.1-5.8 3267/2.1=13...(41) HB3 LEU 103 + QD2 LEU 100 OK 45 60 95 79 2.4-5.6 3267/2.1=20...(17) HB3 LEU 123 + QD2 LEU 62 OK 21 47 50 91 3.2-7.4 3.2/10347=37...(31) HB3 LEU 122 - QD2 LEU 62 far 5 35 15 - 4.0-7.0 HB3 LEU 103 - QD2 LEU 62 far 3 33 10 - 4.5-8.5 HB2 LEU 100 - QD2 LEU 62 far 0 66 0 - 5.0-7.5 HB3 LYS 26 - QD2 LEU 100 far 0 100 0 - 5.8-18.5 HB3 LEU 123 - QD2 LEU 100 far 0 81 0 - 6.0-9.9 HB ILE 32 - QD2 LEU 100 far 0 100 0 - 7.3-14.0 HB VAL 93 - QD2 LEU 100 far 0 99 0 - 7.6-12.0 HB3 LYS 24 - QD2 LEU 100 far 0 99 0 - 8.2-21.8 HB3 ARG 23 - QD2 LEU 100 far 0 100 0 - 8.6-23.7 HB ILE 32 - QD2 LEU 62 far 0 66 0 - 8.9-14.4 HB3 LYS 26 - QD2 LEU 62 far 0 66 0 - 9.0-18.1 HB3 LYS 24 - QD2 LEU 62 far 0 63 0 - 9.5-20.7 Violated in 0 structures by 0.00 A. Peak 3260 from cnoeabs.peaks (1.38, 0.68, 23.54 ppm; 3.18 A): 1 out of 28 assignments used, quality = 1.00: * HB3 LEU 100 + QD2 LEU 100 OK 100 100 100 100 2.2-3.2 3.2=100 QB ALA 108 - QD2 LEU 100 far 15 100 15 - 3.8-10.2 HG LEU 96 - QD2 LEU 100 far 13 87 15 - 3.1-8.3 HB3 LEU 100 - QD2 LEU 62 far 7 66 10 - 3.8-6.6 HB2 LEU 96 - QD2 LEU 100 far 5 100 5 - 4.5-7.5 QB ALA 109 - QD2 LEU 100 far 5 98 5 - 4.1-11.2 QB ALA 29 - QD2 LEU 100 far 0 100 0 - 4.9-10.4 QB ALA 29 - QD2 LEU 62 far 0 66 0 - 5.3-11.8 QB ALA 110 - QD2 LEU 62 far 0 66 0 - 5.6-12.7 QB ALA 110 - QD2 LEU 100 far 0 100 0 - 5.6-12.0 QB ALA 108 - QD2 LEU 62 far 0 65 0 - 5.7-11.3 QB ALA 28 - QD2 LEU 100 far 0 100 0 - 5.7-13.7 HB2 LEU 96 - QD2 LEU 62 far 0 66 0 - 6.5-9.5 QB ALA 28 - QD2 LEU 62 far 0 66 0 - 6.9-13.1 QB ALA 109 - QD2 LEU 62 far 0 62 0 - 7.1-11.3 HG LEU 96 - QD2 LEU 62 far 0 51 0 - 7.2-10.8 HG3 LYS 26 - QD2 LEU 62 far 0 66 0 - 7.3-18.1 HG3 LYS 26 - QD2 LEU 100 far 0 100 0 - 7.5-19.2 QB ALA 12 - QD2 LEU 62 far 0 48 0 - 8.5-28.0 HG3 LYS 95 - QD2 LEU 100 far 0 99 0 - 8.5-11.4 HG2 LYS 24 - QD2 LEU 100 far 0 100 0 - 8.6-23.6 QB ALA 16 - QD2 LEU 62 far 0 40 0 - 8.8-24.4 HG2 LYS 95 - QD2 LEU 100 far 0 99 0 - 9.2-11.7 QB ALA 15 - QD2 LEU 62 far 0 66 0 - 9.4-27.3 HG2 LYS 24 - QD2 LEU 62 far 0 66 0 - 9.5-22.0 HG3 LYS 31 - QD2 LEU 62 far 0 61 0 - 9.7-18.5 HG3 LYS 31 - QD2 LEU 100 far 0 97 0 - 9.8-17.2 QB ALA 15 - QD2 LEU 100 far 0 100 0 - 9.8-28.1 Violated in 0 structures by 0.00 A. Peak 3261 from cnoeabs.peaks (1.78, 0.68, 23.54 ppm; 2.97 A): 3 out of 15 assignments used, quality = 1.00: * HG LEU 100 + QD2 LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 103 + QD2 LEU 100 OK 56 90 90 69 2.4-5.6 3269/2.1=16, 3.9/11418=9...(17) HB3 LEU 122 + QD2 LEU 100 OK 54 89 70 87 3.1-5.8 3269/2.1=12...(39) HG LEU 100 - QD2 LEU 62 poor 13 66 20 - 3.4-7.2 HB3 LEU 122 - QD2 LEU 62 far 8 53 15 - 4.0-7.0 HB3 LEU 103 - QD2 LEU 62 far 0 54 0 - 4.5-8.5 HB2 LEU 48 - QD2 LEU 62 far 0 66 0 - 4.8-10.1 HB2 LYS 26 - QD2 LEU 100 far 0 65 0 - 5.6-18.2 HB3 LEU 98 - QD2 LEU 100 far 0 99 0 - 6.2-8.9 HB2 LYS 26 - QD2 LEU 62 far 0 36 0 - 8.0-16.7 HB2 LEU 48 - QD2 LEU 100 far 0 100 0 - 8.1-15.1 HB2 LYS 19 - QD2 LEU 62 far 0 36 0 - 9.2-29.9 HB2 LYS 24 - QD2 LEU 100 far 0 57 0 - 9.3-22.5 HB2 ARG 23 - QD2 LEU 100 far 0 78 0 - 9.4-24.7 HB2 LYS 24 - QD2 LEU 62 far 0 31 0 - 9.7-21.1 Violated in 0 structures by 0.00 A. Peak 3262 from cnoeabs.peaks (0.68, 0.68, 23.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + QD2 LEU 100 OK 100 100 - 100 QD2 LEU 62 + QD2 LEU 62 OK 66 66 - 100 Peak 3263 from cnoeabs.peaks (0.60, 0.68, 23.54 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 100 + QD2 LEU 100 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 100 - QD2 LEU 62 far 7 66 10 - 3.8-6.1 Violated in 0 structures by 0.00 A. Peak 3264 from cnoeabs.peaks (7.68, 0.68, 23.54 ppm; 4.59 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 101 + QD2 LEU 100 OK 100 100 100 100 1.8-4.6 3.6/3258=82, 3.1/3257=78...(35) H GLN 101 - QD2 LEU 62 far 0 66 0 - 6.4-9.5 H LYS 95 - QD2 LEU 100 far 0 65 0 - 6.9-10.4 H CYS 45 - QD2 LEU 62 far 0 62 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 3265 from cnoeabs.peaks (8.49, 0.60, 25.62 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + QD1 LEU 100 OK 100 100 100 100 3.6-4.3 7401=89, 3257/2.1=79...(39) H LEU 70 + QD1 LEU 100 OK 77 78 100 98 3.8-5.4 11094=54, 4.4/11493=41...(16) H GLU 97 - QD1 LEU 100 far 14 95 15 - 4.9-6.5 Violated in 1 structures by 0.00 A. Peak 3266 from cnoeabs.peaks (3.96, 0.60, 25.62 ppm; 4.23 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.6-3.9 4.0=100 HB3 SER 107 - QD1 LEU 100 poor 14 100 35 40 3.9-9.7 11473/11494=25...(4) HA THR 65 - QD1 LEU 100 far 0 98 0 - 6.1-7.5 HB2 SER 106 - QD1 LEU 100 far 0 100 0 - 6.2-9.8 HB3 SER 106 - QD1 LEU 100 far 0 89 0 - 6.7-9.8 HA GLN 127 - QD1 LEU 100 far 0 99 0 - 8.6-11.8 HA2 GLY 111 - QD1 LEU 100 far 0 57 0 - 8.6-15.1 HD3 PRO 113 - QD1 LEU 100 far 0 73 0 - 8.8-16.2 HD3 PRO 117 - QD1 LEU 100 far 0 98 0 - 9.0-14.7 Violated in 0 structures by 0.00 A. Peak 3267 from cnoeabs.peaks (1.82, 0.60, 25.62 ppm; 3.57 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.0-2.6 3.2=100 HB3 LEU 103 + QD1 LEU 100 OK 48 60 95 84 2.6-5.7 3259/2.1=23, 3243/3.2=18...(19) HB3 LEU 122 + QD1 LEU 100 OK 42 63 70 97 2.1-5.7 3.1/11388=25...(45) HB3 LEU 123 - QD1 LEU 100 far 0 81 0 - 5.7-10.0 HB ILE 32 - QD1 LEU 100 far 0 100 0 - 7.0-12.4 HB3 LYS 24 - QD1 LEU 100 far 0 99 0 - 7.7-21.7 HB3 LYS 26 - QD1 LEU 100 far 0 100 0 - 8.2-16.9 HB VAL 93 - QD1 LEU 100 far 0 99 0 - 8.6-10.7 HB3 ARG 23 - QD1 LEU 100 far 0 100 0 - 9.0-23.1 Violated in 0 structures by 0.00 A. Peak 3268 from cnoeabs.peaks (1.38, 0.60, 25.62 ppm; 3.34 A): 2 out of 15 assignments used, quality = 1.00: * HB3 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.0-3.2 3.2=100 HG LEU 96 + QD1 LEU 100 OK 30 87 40 86 3.4-7.4 11918=27, 11106/11115=16...(34) QB ALA 108 - QD1 LEU 100 far 15 100 15 - 3.4-9.7 QB ALA 29 - QD1 LEU 100 far 10 100 10 - 4.1-10.3 HB2 LEU 96 - QD1 LEU 100 far 5 100 5 - 4.4-7.3 QB ALA 109 - QD1 LEU 100 far 0 98 0 - 5.2-10.6 QB ALA 28 - QD1 LEU 100 far 0 100 0 - 5.9-13.2 QB ALA 110 - QD1 LEU 100 far 0 100 0 - 6.7-13.4 HG3 LYS 95 - QD1 LEU 100 far 0 99 0 - 8.1-11.6 QB ALA 15 - QD1 LEU 100 far 0 100 0 - 8.1-27.7 HG3 LYS 26 - QD1 LEU 100 far 0 100 0 - 8.5-16.8 HG2 LYS 24 - QD1 LEU 100 far 0 100 0 - 8.7-23.5 HG2 LYS 95 - QD1 LEU 100 far 0 99 0 - 8.7-11.4 HG3 LYS 31 - QD1 LEU 100 far 0 97 0 - 9.4-16.4 HG2 LYS 36 - QD1 LEU 100 far 0 100 0 - 9.6-14.9 Violated in 0 structures by 0.00 A. Peak 3269 from cnoeabs.peaks (1.78, 0.60, 25.62 ppm; 3.47 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 103 + QD1 LEU 100 OK 70 90 95 81 2.6-5.7 3261/2.1=21...(20) HB3 LEU 122 + QD1 LEU 100 OK 51 89 60 96 2.1-5.7 3.1/11388=23...(47) HB3 LEU 98 - QD1 LEU 100 far 0 99 0 - 7.3-8.7 HB2 LYS 26 - QD1 LEU 100 far 0 65 0 - 8.1-16.2 HB2 LEU 48 - QD1 LEU 100 far 0 100 0 - 8.9-14.4 HB2 LYS 24 - QD1 LEU 100 far 0 57 0 - 8.9-22.3 HB2 ARG 23 - QD1 LEU 100 far 0 78 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 3270 from cnoeabs.peaks (0.68, 0.60, 25.62 ppm; 2.71 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + QD1 LEU 100 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 62 - QD1 LEU 100 far 15 100 15 - 3.8-6.1 Violated in 0 structures by 0.00 A. Peak 3271 from cnoeabs.peaks (0.60, 0.60, 25.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + QD1 LEU 100 OK 100 100 - 100 Peak 3272 from cnoeabs.peaks (7.68, 0.60, 25.62 ppm; 5.63 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + QD1 LEU 100 OK 100 100 100 100 2.3-4.5 7415=100, 3264/2.1=95...(39) H LYS 95 - QD1 LEU 100 far 0 65 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 3273 from cnoeabs.peaks (7.68, 4.10, 58.80 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 101 + HA GLN 101 OK 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 3274 from cnoeabs.peaks (4.10, 4.10, 58.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 101 + HA GLN 101 OK 100 100 - 100 HA CYS 79 + HA CYS 79 OK 84 84 - 100 Peak 3275 from cnoeabs.peaks (2.21, 4.10, 58.80 ppm; 3.82 A): 4 out of 8 assignments used, quality = 1.00: * HB2 GLN 101 + HA GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 GLU 97 + HA GLN 101 OK 81 97 85 98 3.5-6.4 11237/3.5=44...(29) HB2 GLN 104 + HA GLN 101 OK 46 89 65 81 3.2-6.8 7493/3282=32, 3421=26...(11) HB3 GLN 104 + HA GLN 101 OK 21 90 30 77 2.7-7.4 7494/3282=31...(10) HB3 GLU 102 - HA GLN 101 far 0 76 0 - 5.5-6.6 HB3 LEU 96 - HA GLN 101 far 0 57 0 - 7.8-10.1 HB VAL 133 - HA CYS 79 far 0 71 0 - 8.3-10.1 HB2 GLN 68 - HA GLN 101 far 0 95 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3276 from cnoeabs.peaks (2.30, 4.10, 58.80 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 101 + HA GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 HG2 GLU 97 - HA GLN 101 far 6 60 10 - 4.4-7.6 HG2 GLU 30 - HA GLN 101 far 0 95 0 - 9.0-23.2 HG3 GLN 68 - HA GLN 101 far 0 76 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 3277 from cnoeabs.peaks (2.42, 4.10, 58.80 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 101 + HA GLN 101 OK 100 100 100 100 3.6-4.2 3.8=82, 1.8/3278=67...(17) HG3 GLU 97 + HA GLN 101 OK 25 100 30 83 4.4-8.7 3300/3.0=24, 7419/2.9=21...(16) HG3 GLN 82 - HA CYS 79 far 0 51 0 - 9.8-11.5 Violated in 16 structures by 0.28 A. Peak 3278 from cnoeabs.peaks (2.56, 4.10, 58.80 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HA GLN 101 OK 100 100 100 100 3.6-4.1 3.8=100 Violated in 1 structures by 0.01 A. Peak 3281 from cnoeabs.peaks (7.85, 4.10, 58.80 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + HA GLN 101 OK 100 100 100 100 3.5-3.6 3.5=100 H GLN 68 - HA GLN 101 far 0 95 0 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 3282 from cnoeabs.peaks (7.90, 4.10, 58.80 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 104 + HA GLN 101 OK 99 100 100 99 3.5-5.1 7484/4.8=55, 7482=50...(14) H SER 106 - HA GLN 101 poor 18 100 25 73 4.2-8.4 11781/4.8=33...(11) Violated in 7 structures by 0.05 A. Peak 3283 from cnoeabs.peaks (2.19, 4.10, 58.80 ppm; 3.76 A): 3 out of 6 assignments used, quality = 0.98: HB2 GLN 101 + HA GLN 101 OK 89 89 100 100 2.3-2.6 3.0=100 * HB2 GLN 104 + HA GLN 101 OK 54 100 65 82 3.2-6.8 7493/3282=35, 3421=30...(11) HB3 GLU 97 + HA GLN 101 OK 54 65 85 96 3.5-6.4 11237/3.5=39...(27) HB VAL 133 - HA CYS 79 far 0 84 0 - 8.3-10.1 HB2 GLN 68 - HA GLN 101 far 0 57 0 - 9.6-12.8 HB3 LEU 69 - HA GLN 101 far 0 73 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3284 from cnoeabs.peaks (2.22, 4.10, 58.80 ppm; 3.92 A): 3 out of 6 assignments used, quality = 0.99: HB2 GLN 101 + HA GLN 101 OK 90 90 100 100 2.3-2.6 3.0=100 HB3 GLU 97 + HA GLN 101 OK 82 99 85 97 3.5-6.4 11237/3.5=35...(30) * HB3 GLN 104 + HA GLN 101 OK 28 100 35 81 2.7-7.4 7494/3282=37...(10) HB3 GLU 102 - HA GLN 101 far 0 99 0 - 5.5-6.6 HB3 LEU 96 - HA GLN 101 far 0 93 0 - 7.8-10.1 HB2 GLN 68 - HA GLN 101 far 0 100 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3285 from cnoeabs.peaks (4.11, 2.21, 27.91 ppm; 3.85 A): 2 out of 9 assignments used, quality = 1.00: HA GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 * HA LEU 98 + HB2 GLN 101 OK 100 100 100 100 3.2-5.2 3157/1.8=72...(20) HA ILE 32 - HB2 GLN 68 far 5 51 10 - 2.6-13.1 HA CYS 45 - HB2 GLN 68 far 0 41 0 - 5.8-9.2 HA LEU 49 - HB2 GLN 68 far 0 51 0 - 7.4-12.0 HA GLN 104 - HB2 GLN 101 far 0 89 0 - 7.8-9.6 HA GLN 104 - HB2 GLN 68 far 0 40 0 - 9.4-14.6 HA LEU 48 - HB2 GLN 68 far 0 51 0 - 9.4-13.5 HA GLN 101 - HB2 GLN 68 far 0 51 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3286 from cnoeabs.peaks (7.68, 2.21, 27.91 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.2-3.6 7418/1.8=83, 4.0=81...(36) H CYS 45 - HB2 GLN 68 far 0 48 0 - 7.5-10.5 H LYS 95 - HB2 GLN 101 far 0 65 0 - 8.0-10.2 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (4.10, 2.21, 27.91 ppm; 3.86 A): 2 out of 9 assignments used, quality = 1.00: * HA GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 98 + HB2 GLN 101 OK 99 100 100 100 3.2-5.2 3157/1.8=72...(20) HA ILE 32 - HB2 GLN 68 far 5 49 10 - 2.6-13.1 HA CYS 45 - HB2 GLN 68 far 0 37 0 - 5.8-9.2 HA LEU 49 - HB2 GLN 68 far 0 50 0 - 7.4-12.0 HA GLN 104 - HB2 GLN 101 far 0 93 0 - 7.8-9.6 HA GLN 104 - HB2 GLN 68 far 0 43 0 - 9.4-14.6 HA LEU 48 - HB2 GLN 68 far 0 49 0 - 9.4-13.5 HA GLN 101 - HB2 GLN 68 far 0 51 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3288 from cnoeabs.peaks (2.21, 2.21, 27.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 101 + HB2 GLN 101 OK 100 100 - 100 HB2 GLN 68 + HB2 GLN 68 OK 44 44 - 100 Peak 3289 from cnoeabs.peaks (2.30, 2.21, 27.91 ppm; 2.81 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLN 101 + HB2 GLN 101 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 68 + HB2 GLN 68 OK 31 32 100 97 2.2-3.0 3.0=82, 2123/3.0=25...(17) HG2 GLU 97 - HB2 GLN 101 far 9 60 15 - 4.0-6.1 HG2 GLU 30 - HB2 GLN 68 far 0 44 0 - 6.5-15.2 HG2 GLN 61 - HB2 GLN 68 far 0 37 0 - 9.2-12.8 HG2 GLU 30 - HB2 GLN 101 far 0 95 0 - 9.3-24.8 Violated in 0 structures by 0.00 A. Peak 3290 from cnoeabs.peaks (2.42, 2.21, 27.91 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLU 97 + HB2 GLN 101 OK 57 100 60 96 4.1-6.4 3300/1.8=33, 3143=23...(28) HG3 GLU 97 - HB2 GLN 68 far 0 51 0 - 9.6-14.7 HG3 GLN 61 - HB2 GLN 68 far 0 47 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3291 from cnoeabs.peaks (2.56, 2.21, 27.91 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 3292 from cnoeabs.peaks (6.79, 2.21, 27.91 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HE21 GLN 101 + HB2 GLN 101 OK 100 100 100 100 3.2-4.8 4.5=100 QE TYR 72 + HB2 GLN 68 OK 43 43 100 100 3.8-7.5 9549/3.0=86, ~9482=80...(18) HE21 GLN 127 - HB2 GLN 68 far 0 27 0 - 10.0-18.3 Violated in 0 structures by 0.00 A. Peak 3293 from cnoeabs.peaks (7.38, 2.21, 27.91 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HB2 GLN 101 OK 100 100 100 100 1.9-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 3294 from cnoeabs.peaks (7.85, 2.21, 27.91 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 102 + HB2 GLN 101 OK 100 100 100 100 3.6-4.2 7449/1.8=90, 4.7=72...(23) H GLN 68 + HB2 GLN 68 OK 44 44 100 100 2.1-2.6 3.7=100 H GLN 68 - HB2 GLN 101 far 0 95 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 3295 from cnoeabs.peaks (4.11, 2.30, 27.91 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 98 + HB3 GLN 101 OK 100 100 100 100 3.9-4.5 3157=95, 3155/7418=44...(22) HA GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 HA GLN 104 - HB3 GLN 101 far 0 89 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 3296 from cnoeabs.peaks (7.68, 2.30, 27.91 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.2-3.6 7418=100, 3286/1.8=74...(36) H LYS 95 - HB3 GLN 101 far 0 65 0 - 8.0-10.7 Violated in 0 structures by 0.00 A. Peak 3297 from cnoeabs.peaks (4.10, 2.30, 27.91 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 98 + HB3 GLN 101 OK 100 100 100 100 3.9-4.5 3157=95, 3155/7418=44...(22) HA GLN 104 - HB3 GLN 101 far 0 93 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 3298 from cnoeabs.peaks (2.21, 2.30, 27.91 ppm; 2.85 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + HB3 GLN 101 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 97 + HB3 GLN 101 OK 80 97 95 87 1.4-5.4 11237/4.7=17...(25) HB3 GLN 104 - HB3 GLN 101 far 0 90 0 - 5.0-9.9 HB3 GLU 102 - HB3 GLN 101 far 0 76 0 - 5.2-7.1 HB2 GLN 104 - HB3 GLN 101 far 0 89 0 - 5.6-9.2 HB3 LEU 96 - HB3 GLN 101 far 0 57 0 - 6.6-10.1 Violated in 0 structures by 0.00 A. Peak 3299 from cnoeabs.peaks (2.30, 2.30, 27.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 101 + HB3 GLN 101 OK 100 100 - 100 Peak 3300 from cnoeabs.peaks (2.42, 2.30, 27.91 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLU 97 + HB3 GLN 101 OK 74 100 80 93 2.8-7.9 2.9/3298=29, 3290/1.8=24...(31) Violated in 0 structures by 0.00 A. Peak 3301 from cnoeabs.peaks (2.56, 2.30, 27.91 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 3304 from cnoeabs.peaks (7.85, 2.30, 27.91 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + HB3 GLN 101 OK 100 100 100 100 3.6-4.2 7449=100, 3.1/7418=71...(23) H GLN 68 - HB3 GLN 101 far 0 95 0 - 8.9-12.8 Violated in 2 structures by 0.01 A. Peak 3305 from cnoeabs.peaks (7.68, 2.42, 33.80 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.5-4.0 3314/1.8=78, 7418/2.9=62...(31) H LYS 95 - HG2 GLN 101 far 0 65 0 - 7.4-10.4 Violated in 8 structures by 0.08 A. Peak 3306 from cnoeabs.peaks (4.10, 2.42, 33.80 ppm; 3.26 A): 2 out of 11 assignments used, quality = 1.00: * HA GLN 101 + HG2 GLN 101 OK 100 100 100 100 3.6-4.2 3277=84, 3278/1.8=56...(17) HA LEU 98 + HG2 GLN 101 OK 97 100 100 97 1.7-3.6 3157/2.9=40, 3315/1.8=35...(21) HA LEU 49 - HG3 GLN 61 far 0 86 0 - 5.3-9.5 HA ALA 52 - HG3 GLN 61 far 0 46 0 - 5.3-10.4 HA ILE 80 - HG2 GLN 82 far 0 40 0 - 6.2-10.6 HA3 GLY 114 - HG3 GLN 61 far 0 64 0 - 7.3-15.5 HA LEU 48 - HG3 GLN 61 far 0 85 0 - 7.4-13.2 HA GLN 104 - HG2 GLN 101 far 0 93 0 - 8.0-10.4 HA PHE 89 - HG2 GLN 82 far 0 48 0 - 9.0-14.2 HA CYS 45 - HG3 GLN 61 far 0 68 0 - 9.4-14.5 HA GLN 104 - HG3 GLN 61 far 0 77 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 3307 from cnoeabs.peaks (2.21, 2.42, 33.80 ppm; 3.04 A): 4 out of 10 assignments used, quality = 1.00: * HB2 GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLU 97 + HG2 GLN 101 OK 77 97 85 93 1.9-5.1 3316/1.8=24, 3298/2.9=23...(29) HB2 GLN 82 + HG2 GLN 82 OK 60 60 100 100 2.2-3.0 2.9=100 HB3 GLU 102 + HG2 GLN 101 OK 22 76 45 65 2.7-6.2 3.8/7450=24, 3316/1.8=14...(16) HB2 GLN 104 - HG2 GLN 101 far 0 89 0 - 5.9-10.3 HB3 GLN 104 - HG2 GLN 101 far 0 90 0 - 5.9-11.0 HB VAL 133 - HG2 GLN 82 far 0 49 0 - 6.1-13.6 HB3 LEU 96 - HG2 GLN 101 far 0 57 0 - 7.8-10.7 HG2 GLN 68 - HG3 GLN 61 far 0 55 0 - 9.3-13.1 HB2 GLN 68 - HG3 GLN 61 far 0 78 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3308 from cnoeabs.peaks (2.30, 2.42, 33.80 ppm; 2.84 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLN 101 + HG2 GLN 101 OK 99 100 100 99 2.2-3.0 2.9=91, 3.0/3277=35...(13) HG2 GLN 61 + HG3 GLN 61 OK 68 68 100 100 1.8-1.8 1.8=100 HG2 GLU 97 - HG2 GLN 101 far 9 60 15 - 2.9-7.4 HB VAL 132 - HG2 GLN 82 far 0 44 0 - 5.7-12.9 HG2 GLU 30 - HG3 GLN 61 far 0 78 0 - 7.9-22.7 HB3 PRO 113 - HG3 GLN 61 far 0 53 0 - 8.1-14.9 HB3 GLN 134 - HG2 GLN 82 far 0 29 0 - 8.2-17.5 HG3 GLN 68 - HG3 GLN 61 far 0 60 0 - 8.9-13.6 HG2 GLU 30 - HG2 GLN 101 far 0 95 0 - 9.2-26.1 Violated in 0 structures by 0.00 A. Peak 3309 from cnoeabs.peaks (2.42, 2.42, 33.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 101 + HG2 GLN 101 OK 100 100 - 100 HG3 GLN 61 + HG3 GLN 61 OK 82 82 - 100 HG2 GLN 82 + HG2 GLN 82 OK 48 48 - 100 Peak 3310 from cnoeabs.peaks (2.56, 2.42, 33.80 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HG2 GLN 101 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3311 from cnoeabs.peaks (6.79, 2.42, 33.80 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 101 + HG2 GLN 101 OK 100 100 100 100 3.4-4.1 3.5=100 HE21 GLN 127 - HG3 GLN 61 far 0 51 0 - 9.3-17.1 Violated in 0 structures by 0.00 A. Peak 3312 from cnoeabs.peaks (7.38, 2.42, 33.80 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.1-3.5 3.5=100 QE PHE 89 - HG2 GLN 82 far 0 42 0 - 7.7-13.6 Violated in 0 structures by 0.00 A. Peak 3313 from cnoeabs.peaks (7.85, 2.42, 33.80 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 102 + HG2 GLN 101 OK 100 100 100 100 1.8-3.9 7450=100, 7451/1.8=90...(25) H ALA 88 - HG2 GLN 82 far 0 58 0 - 7.6-11.2 H GLN 68 - HG3 GLN 61 far 0 78 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 3314 from cnoeabs.peaks (7.68, 2.56, 33.80 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.6-3.1 7420=94, 3305/1.8=67...(31) H LYS 95 - HG3 GLN 101 far 0 65 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 3315 from cnoeabs.peaks (4.10, 2.56, 33.80 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + HG3 GLN 101 OK 100 100 100 100 3.6-4.1 3278=69, 3277/1.8=67...(20) HA LEU 98 + HG3 GLN 101 OK 97 100 100 97 1.7-2.9 3157/2.9=42, 3306/1.8=36...(21) HA GLN 104 - HG3 GLN 101 far 0 93 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 3316 from cnoeabs.peaks (2.21, 2.56, 33.80 ppm; 3.11 A): 3 out of 6 assignments used, quality = 1.00: * HB2 GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 GLU 97 + HG3 GLN 101 OK 85 97 95 92 2.6-6.4 3298/2.9=24, 3307/1.8=21...(30) HB3 GLU 102 + HG3 GLN 101 OK 48 76 85 75 2.5-6.3 3.8/7451=28, 3.0/3317=13...(29) HB3 GLN 104 - HG3 GLN 101 far 0 90 0 - 5.7-9.9 HB2 GLN 104 - HG3 GLN 101 far 0 89 0 - 6.3-9.0 HB3 LEU 96 - HG3 GLN 101 far 0 57 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 3317 from cnoeabs.peaks (2.30, 2.56, 33.80 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 97 - HG3 GLN 101 far 6 60 10 - 4.1-6.4 Violated in 0 structures by 0.00 A. Peak 3318 from cnoeabs.peaks (2.42, 2.56, 33.80 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + HG3 GLN 101 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 97 - HG3 GLN 101 far 5 100 5 - 3.3-8.0 Violated in 0 structures by 0.00 A. Peak 3319 from cnoeabs.peaks (2.56, 2.56, 33.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HG3 GLN 101 OK 100 100 - 100 Peak 3320 from cnoeabs.peaks (6.79, 2.56, 33.80 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 101 + HG3 GLN 101 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 2 structures by 0.00 A. Peak 3321 from cnoeabs.peaks (7.38, 2.56, 33.80 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 3322 from cnoeabs.peaks (7.85, 2.56, 33.80 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HG3 GLN 101 OK 100 100 100 100 1.6-3.5 7451=100, 7450/1.8=78...(29) Violated in 0 structures by 0.00 A. Peak 3323 from cnoeabs.peaks (7.85, 4.05, 58.39 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 102 + HA GLU 102 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 102 - HA LEU 96 far 0 75 0 - 6.9-8.9 H GLU 102 - HA LEU 122 far 0 99 0 - 7.9-8.9 H GLN 68 - HA LEU 122 far 0 92 0 - 8.7-12.9 Violated in 0 structures by 0.00 A. Peak 3324 from cnoeabs.peaks (4.05, 4.05, 58.39 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 102 + HA GLU 102 OK 100 100 - 100 HA LEU 122 + HA LEU 122 OK 99 99 - 100 HA LEU 96 + HA LEU 96 OK 71 71 - 100 Peak 3325 from cnoeabs.peaks (2.08, 4.05, 58.39 ppm; 3.98 A): 3 out of 21 assignments used, quality = 1.00: * HB2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 126 + HA LEU 122 OK 36 73 55 91 3.8-7.1 ~11678=24, ~11749=21...(23) HB VAL 126 + HA LEU 96 OK 30 49 65 95 3.5-8.5 2.1/11689=71...(23) HB VAL 118 - HA LEU 122 far 0 68 0 - 6.3-8.2 HB VAL 118 - HA LEU 96 far 0 46 0 - 6.6-9.3 HB3 GLN 27 - HA GLU 102 far 0 81 0 - 7.0-28.0 HB2 GLU 128 - HA LEU 96 far 0 75 0 - 7.0-11.2 HB2 GLN 127 - HA LEU 122 far 0 68 0 - 7.4-9.7 HB2 GLU 128 - HA LEU 122 far 0 99 0 - 7.5-10.1 HB2 GLN 127 - HA LEU 96 far 0 46 0 - 7.8-11.6 HB2 GLU 102 - HA LEU 96 far 0 75 0 - 7.9-11.8 HB VAL 118 - HA GLU 102 far 0 71 0 - 8.3-10.3 HB3 GLN 27 - HA LEU 96 far 0 53 0 - 8.5-24.2 HG2 PRO 117 - HA LEU 122 far 0 60 0 - 8.5-11.3 HG2 PRO 117 - HA GLU 102 far 0 63 0 - 8.5-14.8 HG2 PRO 117 - HA LEU 96 far 0 40 0 - 8.6-14.3 HG3 GLU 91 - HA LEU 96 far 0 42 0 - 8.8-12.2 HB2 GLU 102 - HA LEU 122 far 0 99 0 - 8.9-11.8 HG3 GLU 91 - HA LEU 122 far 0 63 0 - 9.0-14.5 HB2 LEU 62 - HA LEU 122 far 0 68 0 - 9.1-13.0 HB3 GLN 27 - HA LEU 122 far 0 77 0 - 10.0-24.1 Violated in 0 structures by 0.00 A. Peak 3326 from cnoeabs.peaks (2.23, 4.05, 58.39 ppm; 3.82 A): 4 out of 21 assignments used, quality = 1.00: * HB3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 96 + HA LEU 122 OK 77 97 85 93 2.8-5.7 1.8/3067=14, 3.0/3084=12...(53) HB3 LEU 96 + HA LEU 96 OK 72 72 100 100 2.3-2.8 3.0=100 HB2 GLN 101 + HA GLU 102 OK 59 76 80 98 4.5-5.6 ~7449=39, ~3304=35...(36) HB3 GLN 104 - HA GLU 102 far 0 99 0 - 5.7-7.8 HB3 GLU 97 - HA LEU 96 far 0 66 0 - 6.3-6.6 HB3 GLU 97 - HA GLU 102 far 0 95 0 - 6.6-9.6 HB2 GLN 101 - HA LEU 96 far 0 49 0 - 6.7-9.5 HB3 GLU 128 - HA LEU 96 far 0 74 0 - 7.2-9.6 HB3 GLU 97 - HA LEU 122 far 0 92 0 - 7.4-8.8 HB3 GLN 127 - HA LEU 122 far 0 99 0 - 7.5-9.9 HB2 GLN 101 - HA LEU 122 far 0 73 0 - 7.6-10.3 HB3 GLN 104 - HA LEU 122 far 0 97 0 - 7.6-14.1 HB3 GLU 128 - HA LEU 122 far 0 98 0 - 7.7-9.5 HB3 GLN 104 - HA LEU 96 far 0 72 0 - 7.9-14.4 HG2 GLU 91 - HA LEU 96 far 0 75 0 - 8.0-11.7 HG2 GLU 91 - HA LEU 122 far 0 99 0 - 8.0-14.2 HB3 GLN 127 - HA LEU 96 far 0 74 0 - 8.2-11.8 HB3 GLU 102 - HA LEU 122 far 0 99 0 - 8.8-12.2 HB3 GLU 102 - HA LEU 96 far 0 75 0 - 9.0-11.5 HG2 GLN 68 - HA LEU 122 far 0 99 0 - 9.1-16.2 Violated in 0 structures by 0.00 A. Peak 3327 from cnoeabs.peaks (2.36, 4.05, 58.39 ppm; 3.94 A): 1 out of 17 assignments used, quality = 1.00: * HG2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.1-3.5 3.7=100 HG2 GLN 104 - HA GLU 102 far 8 76 10 - 4.7-8.8 HG3 GLN 27 - HA GLU 102 far 5 100 5 - 4.4-27.1 HG2 GLN 27 - HA GLU 102 far 5 99 5 - 5.1-28.8 HG2 GLN 127 - HA LEU 122 far 0 98 0 - 6.4-7.7 HG2 GLU 128 - HA LEU 96 far 0 62 0 - 6.4-11.6 HG2 GLN 127 - HA LEU 96 far 0 74 0 - 7.1-9.7 HG2 GLU 128 - HA LEU 122 far 0 87 0 - 7.5-11.1 HG2 GLN 27 - HA LEU 96 far 0 73 0 - 7.8-25.0 HG2 GLN 104 - HA LEU 122 far 0 73 0 - 8.6-14.7 HG2 GLU 102 - HA LEU 96 far 0 75 0 - 8.6-12.0 HB2 PRO 117 - HA LEU 96 far 0 74 0 - 8.6-14.3 HG2 GLN 27 - HA LEU 122 far 0 98 0 - 9.0-25.1 HG2 GLU 102 - HA LEU 122 far 0 99 0 - 9.1-11.9 HB2 PRO 117 - HA LEU 122 far 0 99 0 - 9.2-11.2 HG3 GLN 27 - HA LEU 96 far 0 75 0 - 9.6-23.5 HG2 GLN 104 - HA LEU 96 far 0 49 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 3328 from cnoeabs.peaks (2.52, 4.05, 58.39 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.1-3.8 3.7=100 HG3 GLU 102 - HA LEU 96 far 0 75 0 - 8.6-12.0 HG3 GLU 102 - HA LEU 122 far 0 99 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 3329 from cnoeabs.peaks (8.08, 4.05, 58.39 ppm; 4.46 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 103 + HA GLU 102 OK 100 100 100 100 3.4-3.5 3.6=100 H ALA 108 - HA GLU 102 far 15 100 15 - 5.2-11.6 H ASN 120 - HA LEU 122 far 0 98 0 - 6.8-7.6 H ALA 109 - HA GLU 102 far 0 100 0 - 7.5-15.3 H LEU 103 - HA LEU 96 far 0 75 0 - 7.5-9.4 H LEU 103 - HA LEU 122 far 0 99 0 - 7.9-9.3 H ASN 120 - HA LEU 96 far 0 74 0 - 8.2-10.2 H VAL 20 - HA GLU 102 far 0 85 0 - 9.9-42.0 Violated in 0 structures by 0.00 A. Peak 3330 from cnoeabs.peaks (7.62, 4.05, 58.39 ppm; 5.10 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 105 + HA GLU 102 OK 100 100 100 100 3.3-6.0 7518=100, 7499/7484=86...(10) HD21 ASN 120 - HA LEU 122 far 0 87 0 - 7.3-9.7 HD21 ASN 120 - HA LEU 96 far 0 62 0 - 8.8-12.5 Violated in 3 structures by 0.08 A. Peak 3331 from cnoeabs.peaks (2.26, 4.05, 58.39 ppm; 4.01 A): 3 out of 7 assignments used, quality = 0.85: * HB VAL 105 + HA GLU 102 OK 55 100 55 100 4.1-7.5 3465=97, 2.1/11508=83...(13) HB3 LEU 96 + HA LEU 122 OK 48 57 90 92 2.8-5.7 1.8/3067=15, 3.0/3084=14...(48) HB3 LEU 96 + HA LEU 96 OK 38 38 100 100 2.3-2.8 3.0=100 HG2 GLU 97 - HA LEU 96 poor 15 73 20 - 5.1-6.7 HG2 GLU 97 - HA LEU 122 far 0 98 0 - 6.8-9.0 HG2 GLU 97 - HA GLU 102 far 0 99 0 - 8.1-10.0 HB3 PRO 113 - HA GLU 102 far 0 98 0 - 9.4-20.1 Violated in 0 structures by 0.00 A. Peak 3332 from cnoeabs.peaks (4.22, 2.08, 28.58 ppm; 4.27 A): 2 out of 27 assignments used, quality = 0.98: * HA SER 99 + HB2 GLU 102 OK 94 100 95 99 3.2-5.9 3207/1.8=77...(10) HA GLU 128 + HB2 GLU 128 OK 72 72 100 100 2.2-2.9 3.0=100 HA SER 124 - HB2 GLU 128 far 10 68 15 - 4.4-7.2 HA ALA 28 - HB2 GLN 61 far 8 54 15 - 4.5-23.5 HA ALA 29 - HB3 GLU 44 far 7 74 10 - 3.2-20.8 HA GLU 30 - HB2 GLN 61 far 7 70 10 - 3.5-22.8 HA ALA 29 - HB2 GLN 61 far 7 67 10 - 3.8-22.1 HA ALA 28 - HB3 GLU 44 far 6 60 10 - 3.2-23.1 HA GLU 30 - HB3 GLN 61 far 6 58 10 - 2.8-23.4 HA ALA 29 - HB3 GLN 61 far 6 56 10 - 5.2-22.4 HB THR 25 - HB3 GLU 44 far 3 67 5 - 3.3-29.3 HB THR 25 - HB2 GLN 61 far 3 60 5 - 3.5-28.2 HB THR 25 - HB3 GLN 61 far 2 50 5 - 3.1-28.0 HA GLN 27 - HB3 GLU 44 far 2 48 5 - 3.4-23.5 HA ALA 28 - HB3 GLN 61 far 2 44 5 - 4.7-23.8 HB THR 18 - HB3 GLN 61 far 2 38 5 - 5.1-35.1 HA VAL 105 - HB2 GLU 102 far 0 65 0 - 5.8-8.6 HA ALA 88 - HB2 GLU 128 far 0 85 0 - 6.0-9.7 HB THR 18 - HB2 GLN 61 far 0 46 0 - 6.4-34.4 HA GLN 27 - HB2 GLN 61 far 0 43 0 - 7.3-21.9 HA GLU 30 - HB3 GLU 44 far 0 77 0 - 7.3-22.5 HB THR 18 - HB3 GLU 44 far 0 52 0 - 7.6-36.0 HA GLN 27 - HB2 GLU 102 far 0 68 0 - 7.7-29.8 HA GLN 27 - HB3 GLN 61 far 0 35 0 - 7.7-21.9 HB3 SER 38 - HB3 GLU 44 far 0 79 0 - 8.0-11.6 HA ALA 34 - HB3 GLU 44 far 0 78 0 - 9.5-13.6 HA HIS 67 - HB2 GLU 102 far 0 100 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 3333 from cnoeabs.peaks (7.85, 2.08, 28.58 ppm; 4.50 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.7 3.8=100 H ALA 88 - HB3 GLN 82 far 0 79 0 - 7.5-10.2 H ALA 88 - HB2 GLU 128 far 0 93 0 - 7.7-11.5 H GLN 68 - HB2 GLN 61 far 0 65 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3334 from cnoeabs.peaks (4.05, 2.08, 28.58 ppm; 4.97 A): 4 out of 15 assignments used, quality = 1.00: * HA GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 44 + HB3 GLU 44 OK 81 81 100 100 2.2-2.9 3.0=100 HA ALA 92 + HB2 GLU 128 OK 80 95 85 100 4.1-6.9 2.1/10444=87, ~10447=58...(28) HB THR 65 + HB2 GLN 61 OK 45 62 90 80 3.9-6.8 ~11024=51, ~10985=37...(5) HB THR 65 - HB3 GLN 61 poor 18 51 35 - 4.9-8.3 HD3 PRO 81 - HB3 GLN 82 far 11 72 15 - 6.2-8.3 HB3 SER 124 - HB2 GLU 128 far 4 72 5 - 5.7-8.6 HA LEU 96 - HB2 GLU 128 far 0 91 0 - 7.0-11.2 HA LEU 122 - HB2 GLU 128 far 0 95 0 - 7.5-10.1 HA LEU 96 - HB2 GLU 102 far 0 98 0 - 7.9-11.8 HA LEU 119 - HB2 GLN 61 far 0 45 0 - 8.5-16.6 HA LEU 119 - HB3 GLN 61 far 0 36 0 - 8.8-16.0 HA LEU 122 - HB2 GLU 102 far 0 100 0 - 8.9-11.8 HA LEU 119 - HB2 GLU 102 far 0 71 0 - 9.3-13.7 HB THR 65 - HB3 GLU 44 far 0 69 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 3335 from cnoeabs.peaks (2.08, 2.08, 28.58 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 GLU 102 + HB2 GLU 102 OK 100 100 - 100 HB2 GLU 128 + HB2 GLU 128 OK 95 95 - 100 HB3 GLU 44 + HB3 GLU 44 OK 80 80 - 100 HB3 GLN 82 + HB3 GLN 82 OK 76 76 - 100 HB2 GLN 61 + HB2 GLN 61 OK 60 60 - 100 HB3 GLN 61 + HB3 GLN 61 OK 46 46 - 100 Peak 3336 from cnoeabs.peaks (2.23, 2.08, 28.58 ppm; 2.82 A): 3 out of 16 assignments used, quality = 1.00: * HB3 GLU 102 + HB2 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 128 + HB2 GLU 128 OK 94 94 100 100 1.8-1.8 1.8=100 HB2 GLN 82 + HB3 GLN 82 OK 46 46 100 100 1.8-1.8 1.8=100 HB3 GLN 127 - HB2 GLU 128 far 5 95 5 - 4.2-7.4 HB2 PRO 81 - HB3 GLN 82 far 2 48 5 - 3.5-6.9 HB2 GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-7.0 HG2 GLU 91 - HB2 GLU 128 far 0 95 0 - 6.3-11.3 HB3 GLN 104 - HB2 GLU 102 far 0 99 0 - 6.4-9.5 HB3 LEU 96 - HB2 GLU 128 far 0 93 0 - 6.4-10.9 HB3 GLU 97 - HB2 GLU 102 far 0 95 0 - 6.8-9.0 HG2 GLN 68 - HB3 GLU 44 far 0 81 0 - 8.1-14.1 HB2 GLN 68 - HB2 GLN 61 far 0 68 0 - 8.8-11.1 HB2 GLN 68 - HB3 GLU 44 far 0 75 0 - 9.0-13.3 HG2 GLN 68 - HB2 GLN 61 far 0 73 0 - 9.3-11.9 HB3 LEU 96 - HB2 GLU 102 far 0 99 0 - 9.6-13.3 HB2 GLN 68 - HB3 GLN 61 far 0 57 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3337 from cnoeabs.peaks (2.36, 2.08, 28.58 ppm; 4.25 A): 3 out of 20 assignments used, quality = 1.00: * HG2 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 82 82 100 100 2.4-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 44 OK 58 58 100 100 2.4-3.0 3.0=100 HG3 GLN 27 - HB3 GLU 44 far 8 81 10 - 4.6-24.3 HG2 GLN 27 - HB3 GLU 44 far 8 79 10 - 4.7-24.4 HG3 GLU 30 - HB3 GLN 61 far 3 33 10 - 3.8-25.5 HG3 GLU 30 - HB2 GLN 61 far 2 41 5 - 4.2-25.0 HG2 GLN 127 - HB2 GLU 128 far 0 94 0 - 6.0-7.8 HG3 GLU 30 - HB3 GLU 44 far 0 46 0 - 6.5-24.0 HG2 GLN 27 - HB2 GLU 102 far 0 99 0 - 6.6-30.3 HG3 GLN 27 - HB2 GLU 102 far 0 100 0 - 6.7-28.8 HG3 GLN 27 - HB3 GLN 61 far 0 61 0 - 6.9-24.1 HG2 GLN 104 - HB2 GLU 102 far 0 76 0 - 7.0-10.2 HG3 GLN 27 - HB2 GLN 61 far 0 73 0 - 7.2-23.5 HB2 PRO 117 - HB2 GLU 102 far 0 100 0 - 7.9-15.4 HG2 GLN 27 - HB3 GLN 61 far 0 60 0 - 8.2-24.6 HG2 GLN 27 - HB2 GLN 61 far 0 71 0 - 8.5-23.9 HB3 GLN 134 - HB3 GLU 44 far 0 42 0 - 8.6-12.2 HB3 GLN 134 - HB3 GLN 82 far 0 42 0 - 9.5-16.1 HG2 GLN 104 - HB3 GLN 61 far 0 39 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 3338 from cnoeabs.peaks (2.52, 2.08, 28.58 ppm; 5.54 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 44 + HB3 GLU 44 OK 70 70 100 100 2.2-3.0 3.0=100 HG3 MET 11 - HB3 GLN 61 far 0 61 0 - 9.2-43.2 Violated in 0 structures by 0.00 A. Peak 3339 from cnoeabs.peaks (8.08, 2.08, 28.58 ppm; 4.60 A): 2 out of 17 assignments used, quality = 1.00: * H LEU 103 + HB2 GLU 102 OK 100 100 100 100 2.8-4.3 4.6=100 HD22 ASN 85 + HB3 GLN 82 OK 73 81 90 100 1.9-7.3 9805=100, 11238/1.8=65...(18) H ALA 109 - HB2 GLU 102 far 15 100 15 - 5.5-16.2 H ALA 108 - HB2 GLU 102 poor 9 100 30 29 3.0-13.2 11485/11695=15...(6) H THR 25 - HB3 GLU 44 far 0 58 0 - 6.2-27.6 H THR 25 - HB3 GLN 61 far 0 43 0 - 6.3-25.5 H THR 25 - HB2 GLN 61 far 0 52 0 - 6.3-25.8 H VAL 20 - HB2 GLN 61 far 0 55 0 - 7.0-30.5 H VAL 20 - HB3 GLN 61 far 0 46 0 - 7.0-31.2 H ALA 109 - HB3 GLN 61 far 0 61 0 - 7.2-19.2 H VAL 20 - HB2 GLU 102 far 0 85 0 - 7.8-44.1 H ALA 108 - HB3 GLN 61 far 0 61 0 - 8.5-18.9 H ALA 109 - HB2 GLN 61 far 0 73 0 - 8.7-19.8 HD22 ASN 85 - HB2 GLU 128 far 0 95 0 - 9.1-15.6 H ALA 108 - HB2 GLN 61 far 0 73 0 - 9.5-19.3 H VAL 20 - HB3 GLU 44 far 0 62 0 - 9.6-32.3 H THR 25 - HB2 GLU 102 far 0 81 0 - 9.7-33.2 Violated in 0 structures by 0.00 A. Peak 3340 from cnoeabs.peaks (4.22, 2.23, 28.58 ppm; 4.52 A): 5 out of 24 assignments used, quality = 1.00: * HA SER 99 + HB3 GLU 102 OK 100 100 100 100 3.4-5.4 3207=100, 3332/1.8=91...(15) HA GLU 128 + HB3 GLU 128 OK 70 70 100 100 2.2-2.9 3.0=100 HA SER 94 + HB3 GLU 97 OK 66 70 95 99 4.5-6.3 3117/1.8=85...(13) HA HIS 67 + HB2 GLN 68 OK 58 61 100 95 5.5-5.9 6916/4.4=53, 11036=46...(14) HA SER 124 + HB3 GLU 128 OK 53 66 95 84 4.1-7.2 7838/3.6=32, 4.9/3987=32...(10) HA ALA 29 - HB2 GLN 68 poor 17 55 30 - 4.0-14.1 HA GLU 30 - HB2 GLN 68 poor 14 58 25 - 3.4-13.9 HA ALA 34 - HB2 GLN 68 far 9 58 15 - 4.5-13.5 HA GLN 27 - HB3 GLU 97 far 2 49 5 - 4.8-25.9 HA ALA 28 - HB3 GLU 97 far 0 61 0 - 6.1-24.7 HA HIS 67 - HB3 GLU 97 far 0 82 0 - 6.4-8.8 HA VAL 105 - HB3 GLU 102 far 0 65 0 - 6.4-8.5 HA ALA 29 - HB3 GLU 97 far 0 75 0 - 6.5-20.6 HA ALA 88 - HB3 GLU 128 far 0 83 0 - 6.8-10.9 HA SER 99 - HB3 GLU 97 far 0 82 0 - 7.0-8.4 HA GLN 27 - HB2 GLN 68 far 0 34 0 - 7.1-15.9 HA ALA 28 - HB2 GLN 68 far 0 44 0 - 7.3-16.1 HA GLN 27 - HB3 GLU 102 far 0 68 0 - 7.5-28.9 HA GLU 30 - HB3 GLU 97 far 0 78 0 - 7.6-21.3 HA VAL 105 - HB3 GLU 97 far 0 46 0 - 7.7-12.4 HB3 SER 38 - HB2 GLN 68 far 0 60 0 - 8.1-15.7 HB THR 25 - HB2 GLN 68 far 0 49 0 - 8.1-23.1 HA HIS 67 - HB3 GLU 102 far 0 100 0 - 9.7-12.2 HA SER 94 - HB3 GLU 102 far 0 92 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3341 from cnoeabs.peaks (7.85, 2.23, 28.58 ppm; 4.35 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.2-3.6 3.8=100 H GLU 102 + HB3 GLU 97 OK 63 82 85 91 4.6-7.6 3.5/3284=25, 3.1/7417=24...(19) H GLN 68 + HB2 GLN 68 OK 53 53 100 100 2.1-2.6 3.7=100 H ALA 88 - HB3 GLU 128 far 0 91 0 - 8.7-12.3 H GLN 68 - HB3 GLU 97 far 0 73 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3342 from cnoeabs.peaks (4.05, 2.23, 28.58 ppm; 3.74 A): 1 out of 15 assignments used, quality = 1.00: * HA GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 92 - HB3 GLU 128 far 14 93 15 - 4.1-7.6 HB2 SER 74 - HB3 GLU 97 far 3 66 5 - 4.6-8.2 HB3 SER 74 - HB3 GLU 97 far 3 65 5 - 5.1-8.2 HB THR 65 - HB2 GLN 68 far 3 51 5 - 5.0-6.8 HB3 SER 124 - HB3 GLU 128 far 0 70 0 - 5.7-8.7 HA LEU 96 - HB3 GLU 97 far 0 77 0 - 6.3-6.6 HA GLU 102 - HB3 GLU 97 far 0 82 0 - 6.6-9.6 HA LEU 96 - HB3 GLU 128 far 0 89 0 - 7.2-9.6 HA LEU 122 - HB3 GLU 97 far 0 82 0 - 7.4-8.8 HA LEU 122 - HB3 GLU 128 far 0 93 0 - 7.7-9.5 HA LEU 119 - HB3 GLU 102 far 0 71 0 - 7.7-12.7 HA LEU 122 - HB3 GLU 102 far 0 100 0 - 8.8-12.2 HA LEU 96 - HB3 GLU 102 far 0 98 0 - 9.0-11.5 HA ALA 92 - HB3 GLU 97 far 0 81 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 3343 from cnoeabs.peaks (2.08, 2.23, 28.58 ppm; 2.84 A): 3 out of 18 assignments used, quality = 1.00: * HB2 GLU 102 + HB3 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 128 + HB3 GLU 128 OK 93 93 100 100 1.8-1.8 1.8=100 HB2 GLN 127 + HB3 GLU 128 OK 29 61 70 67 4.1-6.7 4043=18, 4079/3.0=12...(15) HB3 GLN 27 - HB3 GLU 97 far 3 59 5 - 2.8-27.1 HG2 PRO 117 - HB3 GLU 102 far 0 63 0 - 6.0-11.8 HG3 GLU 91 - HB3 GLU 128 far 0 56 0 - 6.1-11.0 HB3 GLN 27 - HB3 GLU 102 far 0 81 0 - 6.5-28.8 HB VAL 126 - HB3 GLU 128 far 0 66 0 - 6.8-8.8 HB2 GLU 102 - HB3 GLU 97 far 0 82 0 - 6.8-9.0 HB VAL 118 - HB3 GLU 102 far 0 71 0 - 6.9-9.0 HB VAL 126 - HB3 GLU 97 far 0 55 0 - 7.6-12.4 HB3 GLN 27 - HB2 GLN 68 far 0 42 0 - 7.7-15.5 HB VAL 126 - HB2 GLN 68 far 0 39 0 - 7.7-10.9 HB2 GLN 61 - HB2 GLN 68 far 0 49 0 - 8.8-11.1 HB3 GLU 44 - HB2 GLN 68 far 0 60 0 - 9.0-13.3 HG3 GLN 134 - HB3 GLU 128 far 0 93 0 - 9.1-11.2 HB3 GLN 61 - HB2 GLN 68 far 0 45 0 - 9.6-11.6 HG3 PRO 113 - HB3 GLU 102 far 0 81 0 - 9.7-20.1 Violated in 0 structures by 0.00 A. Peak 3344 from cnoeabs.peaks (2.23, 2.23, 28.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 102 + HB3 GLU 102 OK 100 100 - 100 HB3 GLU 128 + HB3 GLU 128 OK 93 93 - 100 HB3 GLU 97 + HB3 GLU 97 OK 73 73 - 100 HB2 GLN 68 + HB2 GLN 68 OK 56 56 - 100 Peak 3345 from cnoeabs.peaks (2.36, 2.23, 28.58 ppm; 3.83 A): 2 out of 18 assignments used, quality = 1.00: * HG2 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB3 GLU 128 OK 80 80 100 100 2.3-3.0 3.0=100 HG2 GLN 127 - HB3 GLU 128 poor 19 93 20 - 4.5-7.6 HG2 GLU 102 - HB3 GLU 97 poor 16 82 20 - 4.9-10.0 HG3 GLN 27 - HB3 GLU 97 far 4 82 5 - 5.2-27.0 HG2 GLN 27 - HB3 GLU 97 far 4 80 5 - 4.0-28.4 HG3 GLU 30 - HB2 GLN 68 far 2 33 5 - 5.2-16.8 HG2 GLN 27 - HB3 GLU 102 far 0 99 0 - 5.6-29.6 HG3 GLN 27 - HB3 GLU 102 far 0 100 0 - 6.2-28.0 HG2 GLN 104 - HB3 GLU 97 far 0 55 0 - 6.9-12.3 HG2 GLN 104 - HB3 GLU 102 far 0 76 0 - 7.1-10.6 HG2 GLN 104 - HB2 GLN 68 far 0 39 0 - 8.0-12.5 HB2 PRO 117 - HB3 GLU 102 far 0 100 0 - 8.0-14.0 HG2 GLU 44 - HB2 GLN 68 far 0 42 0 - 8.5-14.9 HG3 GLU 30 - HB3 GLU 97 far 0 46 0 - 8.7-23.5 HG3 GLN 27 - HB2 GLN 68 far 0 61 0 - 8.8-17.0 HG2 GLN 27 - HB2 GLN 68 far 0 59 0 - 9.3-16.1 HB VAL 77 - HB3 GLU 97 far 0 53 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 3346 from cnoeabs.peaks (2.52, 2.23, 28.58 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 102 - HB3 GLU 97 poor 16 82 50 39 5.0-9.7 7458/3341=19...(4) HG3 GLU 44 - HB2 GLN 68 far 0 52 0 - 7.9-15.2 Violated in 0 structures by 0.00 A. Peak 3347 from cnoeabs.peaks (8.08, 2.23, 28.58 ppm; 4.49 A): 1 out of 11 assignments used, quality = 1.00: * H LEU 103 + HB3 GLU 102 OK 100 100 100 100 3.1-4.2 7469=100, 7468/1.8=66...(27) H ALA 109 - HB3 GLU 102 far 15 100 15 - 5.0-15.3 H ALA 108 - HB3 GLU 102 poor 6 100 30 21 2.7-12.9 11485/11507=9...(5) H LEU 103 - HB3 GLU 97 far 0 82 0 - 6.5-9.4 H ALA 108 - HB2 GLN 68 far 0 61 0 - 7.1-19.2 H THR 25 - HB2 GLN 68 far 0 42 0 - 7.4-20.9 H ALA 108 - HB3 GLU 97 far 0 82 0 - 8.0-17.0 H VAL 20 - HB3 GLU 102 far 0 85 0 - 8.9-43.4 H THR 25 - HB3 GLU 97 far 0 59 0 - 8.9-27.8 H THR 25 - HB3 GLU 102 far 0 81 0 - 9.2-32.3 H ALA 109 - HB2 GLN 68 far 0 61 0 - 9.4-20.2 Violated in 0 structures by 0.00 A. Peak 3348 from cnoeabs.peaks (7.85, 2.36, 34.65 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.4-4.0 7457=100, 7458/1.8=86...(17) Violated in 0 structures by 0.00 A. Peak 3349 from cnoeabs.peaks (4.05, 2.36, 34.65 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.1-3.5 3.7=92, 2.9/7457=54...(10) HA LEU 96 - HG2 GLU 102 far 0 98 0 - 8.6-12.0 HA LEU 119 - HG2 GLU 102 far 0 71 0 - 9.0-14.7 HA LEU 122 - HG2 GLU 102 far 0 100 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. Peak 3350 from cnoeabs.peaks (2.08, 2.36, 34.65 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 27 - HG2 GLU 102 far 4 81 5 - 4.3-30.3 HB VAL 118 - HG2 GLU 102 far 0 71 0 - 6.2-11.0 HG2 PRO 117 - HG2 GLU 102 far 0 63 0 - 7.5-12.7 Violated in 0 structures by 0.00 A. Peak 3351 from cnoeabs.peaks (2.23, 2.36, 34.65 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG2 GLU 102 poor 19 76 25 - 4.5-7.7 HB3 GLU 97 - HG2 GLU 102 far 0 95 0 - 4.9-10.0 HB3 GLN 104 - HG2 GLU 102 far 0 99 0 - 7.3-10.6 HB3 LEU 96 - HG2 GLU 102 far 0 99 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 3352 from cnoeabs.peaks (2.36, 2.36, 34.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 102 + HG2 GLU 102 OK 100 100 - 100 Peak 3353 from cnoeabs.peaks (2.52, 2.36, 34.65 ppm; 2.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 102 + HG2 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3354 from cnoeabs.peaks (8.08, 2.36, 34.65 ppm; 5.32 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 103 + HG2 GLU 102 OK 100 100 100 100 3.3-5.3 7471/1.8=92, 3.0/7457=91...(18) H ALA 108 - HG2 GLU 102 far 15 100 15 - 4.5-14.6 H ALA 109 - HG2 GLU 102 far 0 100 0 - 7.0-17.9 H THR 25 - HG2 GLU 102 far 0 81 0 - 7.7-32.3 H VAL 20 - HG2 GLU 102 far 0 85 0 - 9.5-42.8 Violated in 0 structures by 0.00 A. Peak 3355 from cnoeabs.peaks (7.85, 2.52, 34.65 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.6-3.8 7458=100, 7457/1.8=78...(18) Violated in 0 structures by 0.00 A. Peak 3356 from cnoeabs.peaks (4.05, 2.52, 34.65 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.1-3.8 3.7=100 HA GLU 44 + HG3 GLU 44 OK 80 80 100 100 2.5-3.9 3.7=100 HB THR 65 - HG3 GLU 44 far 0 69 0 - 8.2-15.8 HA LEU 96 - HG3 GLU 102 far 0 98 0 - 8.6-12.0 HA LEU 122 - HG3 GLU 102 far 0 100 0 - 8.6-12.4 HA LEU 119 - HG3 GLU 102 far 0 71 0 - 9.3-14.7 Violated in 0 structures by 0.00 A. Peak 3357 from cnoeabs.peaks (2.08, 2.52, 34.65 ppm; 3.79 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 44 + HG3 GLU 44 OK 80 80 100 100 2.2-3.0 3.0=100 HB3 GLN 27 - HG3 GLU 44 far 9 58 15 - 3.0-27.1 HB3 GLN 27 - HG3 GLU 102 far 4 81 5 - 5.0-29.7 HB VAL 118 - HG3 GLU 102 far 4 71 5 - 5.2-11.1 HG2 PRO 117 - HG3 GLU 102 far 0 63 0 - 6.4-14.1 HG3 GLN 134 - HG3 GLU 44 far 0 81 0 - 8.7-13.3 HB3 LYS 39 - HG3 GLU 44 far 0 80 0 - 9.1-11.9 HB VAL 126 - HG3 GLU 44 far 0 54 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 3358 from cnoeabs.peaks (2.23, 2.52, 34.65 ppm; 3.50 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 101 + HG3 GLU 102 OK 35 76 60 76 4.4-7.1 4.7/7458=31, 3351/1.8=14...(28) HB3 GLU 97 - HG3 GLU 102 far 0 95 0 - 5.0-9.7 HB3 GLN 104 - HG3 GLU 102 far 0 99 0 - 6.5-10.5 HG2 GLN 68 - HG3 GLU 44 far 0 80 0 - 7.3-14.8 HB2 GLN 68 - HG3 GLU 44 far 0 75 0 - 7.9-15.2 HB3 LEU 96 - HG3 GLU 102 far 0 99 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 3359 from cnoeabs.peaks (2.36, 2.52, 34.65 ppm; 2.64 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLU 102 + HG3 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 + HG3 GLU 44 OK 58 58 100 100 1.8-1.8 1.8=100 HG2 GLN 27 - HG3 GLU 44 far 4 79 5 - 4.0-26.7 HG3 GLN 27 - HG3 GLU 44 far 0 81 0 - 4.6-26.6 HG2 GLN 27 - HG3 GLU 102 far 0 99 0 - 5.0-30.4 HG3 GLN 27 - HG3 GLU 102 far 0 100 0 - 5.0-28.9 HG2 GLN 104 - HG3 GLU 102 far 0 76 0 - 6.9-11.5 HG3 GLU 30 - HG3 GLU 44 far 0 46 0 - 7.6-24.2 HB3 GLN 134 - HG3 GLU 44 far 0 41 0 - 8.0-12.1 HB2 PRO 117 - HG3 GLU 102 far 0 100 0 - 9.4-16.5 Violated in 0 structures by 0.00 A. Peak 3360 from cnoeabs.peaks (2.52, 2.52, 34.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 102 + HG3 GLU 102 OK 100 100 - 100 HG3 GLU 44 + HG3 GLU 44 OK 70 70 - 100 Peak 3361 from cnoeabs.peaks (8.08, 2.52, 34.65 ppm; 5.41 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 103 + HG3 GLU 102 OK 100 100 100 100 2.5-5.1 7471=100, 3.0/7458=94...(17) H ALA 108 - HG3 GLU 102 far 15 100 15 - 5.1-13.7 H THR 25 - HG3 GLU 44 far 0 58 0 - 7.1-29.7 H VAL 20 - HG3 GLU 44 far 0 62 0 - 7.5-35.1 H ALA 109 - HG3 GLU 102 far 0 100 0 - 7.6-17.2 H THR 25 - HG3 GLU 102 far 0 81 0 - 8.7-32.4 H VAL 20 - HG3 GLU 102 far 0 85 0 - 9.2-43.0 Violated in 0 structures by 0.00 A. Peak 3362 from cnoeabs.peaks (8.08, 4.02, 57.03 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 103 + HA LEU 103 OK 100 100 100 100 2.7-2.9 3.0=100 H ALA 108 - HA LEU 103 poor 18 100 35 51 3.9-10.7 11486/3397=23...(5) H ALA 109 - HA LEU 103 lone 5 100 30 17 5.2-11.6 10118/11836=10...(3) H ASN 120 - HA LEU 103 far 0 100 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 3363 from cnoeabs.peaks (4.02, 4.02, 57.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + HA LEU 103 OK 100 100 - 100 Peak 3364 from cnoeabs.peaks (1.58, 4.02, 57.03 ppm; 4.12 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.2-2.4 3.0=100 HG LEU 103 + HA LEU 103 OK 81 81 100 100 2.8-4.0 2.1/3397=93, 4.3=90...(18) HG LEU 122 - HA LEU 103 far 0 65 0 - 6.7-10.9 Violated in 0 structures by 0.00 A. Peak 3365 from cnoeabs.peaks (1.79, 4.02, 57.03 ppm; 4.15 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 103 OK 100 100 100 100 2.9-3.0 3.0=100 HG LEU 100 - HA LEU 103 far 0 90 0 - 5.9-8.2 HB3 LYS 26 - HA LEU 103 far 0 68 0 - 6.1-28.0 HB2 LEU 100 - HA LEU 103 far 0 60 0 - 7.0-8.0 HB3 LEU 122 - HA LEU 103 far 0 100 0 - 7.2-11.1 HB3 LEU 98 - HA LEU 103 far 0 99 0 - 7.8-11.4 Violated in 0 structures by 0.00 A. Peak 3366 from cnoeabs.peaks (1.56, 4.02, 57.03 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 103 + HA LEU 103 OK 100 100 100 100 2.8-4.0 4.3=100 HB2 LEU 103 + HA LEU 103 OK 81 81 100 100 2.2-2.4 3.0=100 HB2 LEU 119 - HA LEU 103 far 0 97 0 - 6.9-12.3 Violated in 0 structures by 0.00 A. Peak 3367 from cnoeabs.peaks (0.78, 4.02, 57.03 ppm; 3.49 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + HA LEU 103 OK 100 100 100 100 2.0-3.8 3397=100, 2.1/3405=48...(19) QG1 VAL 63 - HA LEU 103 far 0 100 0 - 5.7-7.0 QD2 LEU 122 - HA LEU 103 far 0 100 0 - 5.9-8.7 QD1 LEU 122 - HA LEU 103 far 0 71 0 - 6.3-9.0 QD2 LEU 119 - HA LEU 103 far 0 85 0 - 6.5-9.8 QD1 LEU 96 - HA LEU 103 far 0 97 0 - 7.8-12.2 QD1 LEU 53 - HA LEU 103 far 0 96 0 - 7.9-15.8 QD1 ILE 32 - HA LEU 103 far 0 100 0 - 9.3-17.8 Violated in 2 structures by 0.02 A. Peak 3368 from cnoeabs.peaks (0.74, 4.02, 57.03 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.1-4.0 2.1/3397=91, 4.1=89...(17) QD2 LEU 96 - HA LEU 103 far 0 99 0 - 9.6-12.6 Violated in 5 structures by 0.01 A. Peak 3369 from cnoeabs.peaks (7.90, 4.02, 57.03 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + HA LEU 103 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 106 + HA LEU 103 OK 59 100 70 84 3.5-9.1 7535/7520=44...(10) HD22 ASN 116 - HA LEU 103 far 0 83 0 - 5.9-10.1 H THR 115 - HA LEU 103 far 0 99 0 - 8.4-13.1 Violated in 0 structures by 0.00 A. Peak 3370 from cnoeabs.peaks (3.96, 1.58, 41.89 ppm; 5.14 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 103 OK 100 100 100 100 2.4-4.2 7463/3.9=57, 7481/4.6=51...(33) HD3 PRO 117 + HB2 LEU 103 OK 43 98 70 62 4.5-12.7 3669/11581=25...(8) HB3 SER 107 + HB2 LEU 103 OK 25 100 30 83 2.0-12.4 10106/3.2=38...(15) HB3 SER 106 - HB2 LEU 103 poor 18 89 20 - 5.6-12.2 HB2 SER 106 - HB2 LEU 103 far 10 100 10 - 5.2-11.7 HA3 GLY 111 - HB2 LEU 103 far 5 90 5 - 5.9-15.6 HD3 PRO 113 - HB2 LEU 103 far 4 73 5 - 6.0-15.5 HA2 GLY 111 - HB2 LEU 103 far 3 57 5 - 4.6-15.3 Violated in 0 structures by 0.00 A. Peak 3371 from cnoeabs.peaks (8.08, 1.58, 41.89 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.6-3.1 3.9=100 H ALA 108 - HB2 LEU 103 far 5 100 5 - 5.5-10.6 H ALA 109 - HB2 LEU 103 far 0 100 0 - 5.8-12.1 H ASN 120 - HB2 LEU 103 far 0 100 0 - 7.6-9.4 Violated in 0 structures by 0.00 A. Peak 3372 from cnoeabs.peaks (4.02, 1.58, 41.89 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.2-2.4 3.0=100 HB3 SER 99 + HB2 LEU 103 OK 51 97 75 71 4.3-7.6 11475/10261=18...(12) HA LEU 119 - HB2 LEU 103 far 5 98 5 - 5.0-8.2 HA LEU 96 - HB2 LEU 103 far 0 71 0 - 7.8-10.0 HA SER 60 - HB2 LEU 103 far 0 99 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 3373 from cnoeabs.peaks (1.58, 1.58, 41.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 Peak 3374 from cnoeabs.peaks (1.79, 1.58, 41.89 ppm; 3.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 103 + HB2 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 100 - HB2 LEU 103 far 14 90 15 - 4.4-7.0 HB3 LEU 122 - HB2 LEU 103 far 0 100 0 - 5.2-9.7 HB2 LEU 100 - HB2 LEU 103 far 0 60 0 - 5.4-7.0 HB3 LEU 98 - HB2 LEU 103 far 0 99 0 - 7.5-10.7 HB3 LYS 26 - HB2 LEU 103 far 0 68 0 - 7.7-26.3 HB3 LEU 123 - HB2 LEU 103 far 0 38 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3375 from cnoeabs.peaks (1.56, 1.58, 41.89 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HB2 LEU 103 + HB2 LEU 103 OK 81 81 - 100 Reference assignment not found: HG LEU 103 - HB2 LEU 103 Peak 3376 from cnoeabs.peaks (0.78, 1.58, 41.89 ppm; 3.61 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 122 - HB2 LEU 103 poor 20 100 20 - 4.3-7.1 QD1 LEU 122 - HB2 LEU 103 poor 14 71 20 - 4.3-7.7 QG1 VAL 63 - HB2 LEU 103 far 5 100 5 - 5.0-6.7 QD2 LEU 119 - HB2 LEU 103 far 0 85 0 - 5.9-8.3 QD1 LEU 53 - HB2 LEU 103 far 0 96 0 - 6.1-14.0 QD1 LEU 96 - HB2 LEU 103 far 0 97 0 - 6.4-11.1 QD2 LEU 49 - HB2 LEU 103 far 0 92 0 - 8.8-12.8 QD1 ILE 32 - HB2 LEU 103 far 0 100 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 3377 from cnoeabs.peaks (0.74, 1.58, 41.89 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.0-2.7 3.1=100 QD2 LEU 96 - HB2 LEU 103 far 0 99 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 3378 from cnoeabs.peaks (7.90, 1.58, 41.89 ppm; 4.43 A): 3 out of 4 assignments used, quality = 1.00: * H GLN 104 + HB2 LEU 103 OK 100 100 100 100 3.7-4.2 4.6=89, 7488/1.8=78...(26) HD22 ASN 116 + HB2 LEU 103 OK 34 83 50 83 4.7-11.0 ~11425=32, 11416/3.1=22...(11) H SER 106 + HB2 LEU 103 OK 23 100 30 78 5.7-9.5 11469/3.2=25...(10) H THR 115 - HB2 LEU 103 far 0 99 0 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (3.96, 1.79, 41.89 ppm; 5.19 A): 7 out of 28 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 103 OK 100 100 100 100 1.6-2.7 3370/1.8=62, 7463/3.9=58...(34) HA LEU 100 + HB3 LEU 122 OK 100 100 100 100 3.5-5.9 3230=28, 11489/3.1=26...(46) HB3 SER 51 + HB2 LEU 48 OK 51 51 100 99 5.5-6.4 ~1492=64, ~1615=63...(12) HA THR 65 + HB2 LEU 48 OK 30 66 45 100 4.8-9.9 3.2/10991=55...(32) HB3 SER 107 + HB3 LEU 103 OK 24 100 30 81 3.3-11.0 10106/3.2=38...(18) HB3 SER 94 + HB3 LEU 98 OK 24 85 40 70 5.1-8.4 ~11438=49, ~11642=14...(5) HB2 SER 51 + HB2 LEU 48 OK 23 53 45 98 5.8-7.2 1492/3.0=72, ~1493=43...(12) HB3 SER 106 - HB3 LEU 103 poor 18 89 20 - 5.6-10.5 HB3 SER 107 - HB3 LEU 122 far 15 100 15 - 6.0-15.8 HB2 SER 106 - HB3 LEU 103 far 15 100 15 - 5.5-10.1 HD3 PRO 117 - HB3 LEU 103 far 5 98 5 - 5.9-14.3 HA2 GLY 111 - HB3 LEU 103 far 3 57 5 - 5.8-15.7 HA VAL 20 - HB2 LEU 48 far 2 35 5 - 5.3-30.6 HB3 SER 107 - HB3 LEU 98 far 0 92 0 - 6.9-18.6 HD3 PRO 113 - HB3 LEU 103 far 0 73 0 - 7.2-16.3 HA3 GLY 111 - HB3 LEU 103 far 0 90 0 - 7.3-16.2 HA LEU 100 - HB3 LEU 98 far 0 92 0 - 7.3-8.7 HA THR 65 - HB3 LEU 122 far 0 98 0 - 7.4-13.4 HB2 SER 106 - HB3 LEU 98 far 0 90 0 - 7.9-16.2 HA2 GLY 17 - HB2 LEU 48 far 0 71 0 - 7.9-30.0 HA3 GLY 17 - HB2 LEU 48 far 0 71 0 - 8.6-29.8 HA GLN 127 - HB3 LEU 122 far 0 98 0 - 8.7-10.4 HA GLU 91 - HB3 LEU 98 far 0 73 0 - 8.7-10.9 HD3 PRO 117 - HB3 LEU 122 far 0 98 0 - 8.7-12.8 HB3 SER 94 - HB3 LEU 122 far 0 96 0 - 8.9-12.0 HA GLN 127 - HB2 LEU 48 far 0 67 0 - 9.0-11.8 HB3 SER 106 - HB3 LEU 98 far 0 76 0 - 9.3-17.0 HA VAL 20 - HB3 LEU 98 far 0 50 0 - 9.7-40.5 Violated in 0 structures by 0.00 A. Peak 3380 from cnoeabs.peaks (8.08, 1.79, 41.89 ppm; 4.00 A): 1 out of 15 assignments used, quality = 1.00: * H LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.1-2.5 3.9=100 H ALA 108 - HB3 LEU 103 far 5 100 5 - 5.1-9.3 H THR 25 - HB2 LEU 48 far 0 50 0 - 5.7-26.7 H ALA 108 - HB3 LEU 98 far 0 92 0 - 5.8-17.6 H ALA 109 - HB3 LEU 103 far 0 100 0 - 5.9-11.8 H LEU 103 - HB3 LEU 122 far 0 100 0 - 5.9-8.9 H VAL 20 - HB2 LEU 48 far 0 53 0 - 5.9-31.7 H THR 25 - HB3 LEU 98 far 0 68 0 - 6.4-31.6 H LEU 103 - HB3 LEU 98 far 0 92 0 - 6.5-8.7 H ASN 120 - HB3 LEU 122 far 0 99 0 - 6.7-8.2 H ALA 109 - HB3 LEU 98 far 0 92 0 - 6.9-20.8 H ASN 120 - HB3 LEU 103 far 0 100 0 - 8.2-10.3 H ASN 120 - HB3 LEU 98 far 0 90 0 - 9.1-14.0 H ALA 108 - HB3 LEU 122 far 0 100 0 - 9.1-13.9 H ALA 109 - HB3 LEU 122 far 0 100 0 - 9.6-15.9 Violated in 0 structures by 0.00 A. Peak 3381 from cnoeabs.peaks (4.02, 1.79, 41.89 ppm; 4.43 A): 8 out of 26 assignments used, quality = 1.00: * HA LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.9-3.0 3.0=100 HA LYS 95 + HB3 LEU 98 OK 91 91 100 100 2.2-4.3 2963=98, 3158/1.8=91...(25) HB3 SER 99 + HB3 LEU 122 OK 86 96 90 100 1.8-7.0 11702/3.1=40...(32) HB3 SER 99 + HB3 LEU 103 OK 71 97 85 86 4.7-6.9 3372/1.8=30, 11472=18...(21) HA LEU 96 + HB3 LEU 122 OK 69 70 100 99 1.9-5.0 3868/1.8=22, 3901/3.1=21...(57) HB3 SER 99 + HB3 LEU 98 OK 62 85 80 91 3.9-6.9 3.7/7378=26, ~11480=26...(15) HA LEU 96 + HB3 LEU 98 OK 36 59 65 93 5.2-7.0 4.9/2963=44, 3.6/9998=20...(25) HA LEU 119 + HB3 LEU 122 OK 24 98 25 100 4.6-6.8 3764=97, 3762/3.5=39...(16) HA LYS 95 - HB3 LEU 122 far 10 100 10 - 5.1-9.6 HA VAL 20 - HB2 LEU 48 far 2 41 5 - 5.3-30.6 HA LEU 119 - HB3 LEU 103 far 0 98 0 - 6.0-8.6 HA LEU 119 - HB3 LEU 98 far 0 88 0 - 6.6-13.7 HB3 SER 124 - HB3 LEU 122 far 0 94 0 - 7.0-8.0 HA SER 50 - HB2 LEU 48 far 0 51 0 - 7.2-8.4 HA LEU 103 - HB3 LEU 122 far 0 100 0 - 7.2-11.1 HA LEU 96 - HB3 LEU 103 far 0 71 0 - 7.4-9.3 HB2 SER 124 - HB3 LEU 122 far 0 80 0 - 7.5-8.7 HA LEU 103 - HB3 LEU 98 far 0 92 0 - 7.8-11.4 HA GLN 68 - HB3 LEU 122 far 0 75 0 - 8.2-13.7 HA ILE 37 - HB2 LEU 48 far 0 70 0 - 8.2-14.2 HA SER 60 - HB3 LEU 103 far 0 99 0 - 8.8-10.7 HA GLN 68 - HB2 LEU 48 far 0 46 0 - 9.1-14.4 HB3 SER 124 - HB3 LEU 98 far 0 83 0 - 9.2-13.9 HA SER 50 - HB3 LEU 122 far 0 82 0 - 9.3-11.7 HB2 SER 124 - HB3 LEU 98 far 0 68 0 - 9.7-13.1 HA VAL 20 - HB3 LEU 98 far 0 57 0 - 9.7-40.5 Violated in 0 structures by 0.00 A. Peak 3382 from cnoeabs.peaks (1.58, 1.79, 41.89 ppm; 3.20 A): 4 out of 15 assignments used, quality = 1.00: * HB2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 103 + HB3 LEU 103 OK 81 81 100 100 2.3-2.7 3.0=100 HG LEU 122 + HB3 LEU 122 OK 65 65 100 100 2.3-3.0 3.0=100 HG LEU 49 + HB2 LEU 48 OK 27 69 45 86 3.6-6.4 9205/3.1=32...(26) HG LEU 122 - HB3 LEU 103 far 3 65 5 - 4.6-7.9 HB2 LEU 103 - HB3 LEU 122 far 0 100 0 - 5.2-9.7 HG LEU 123 - HB3 LEU 122 far 0 97 0 - 5.5-8.5 HG LEU 103 - HB3 LEU 122 far 0 80 0 - 6.2-10.2 HG LEU 122 - HB3 LEU 98 far 0 55 0 - 6.8-12.2 HG LEU 49 - HB3 LEU 122 far 0 99 0 - 7.3-11.5 HB2 LEU 103 - HB3 LEU 98 far 0 92 0 - 7.5-10.7 HG2 ARG 23 - HB2 LEU 48 far 0 70 0 - 7.9-30.1 HG2 ARG 23 - HB3 LEU 98 far 0 91 0 - 8.2-37.3 HG LEU 123 - HB2 LEU 48 far 0 65 0 - 8.9-14.0 HG LEU 123 - HB3 LEU 103 far 0 97 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 3383 from cnoeabs.peaks (1.79, 1.79, 41.89 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 103 + HB3 LEU 103 OK 100 100 - 100 HB3 LEU 122 + HB3 LEU 122 OK 100 100 - 100 HB3 LEU 98 + HB3 LEU 98 OK 88 88 - 100 HB2 LEU 48 + HB2 LEU 48 OK 63 63 - 100 Peak 3384 from cnoeabs.peaks (1.56, 1.79, 41.89 ppm; 4.06 A): 3 out of 18 assignments used, quality = 1.00: * HG LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 LEU 103 + HB3 LEU 103 OK 81 81 100 100 1.8-1.8 1.8=100 HG LEU 49 + HB2 LEU 48 OK 42 58 75 96 3.6-6.4 6606/6598=35...(27) HB2 LEU 103 - HB3 LEU 122 far 8 80 10 - 5.2-9.7 HG LEU 123 - HB3 LEU 122 far 5 96 5 - 5.5-8.5 HG LEU 103 - HB3 LEU 122 far 0 100 0 - 6.2-10.2 HB2 LEU 119 - HB3 LEU 122 far 0 96 0 - 6.8-9.1 HG LEU 49 - HB3 LEU 122 far 0 90 0 - 7.3-11.5 HB2 LEU 119 - HB3 LEU 103 far 0 97 0 - 7.4-10.5 HB2 LEU 103 - HB3 LEU 98 far 0 68 0 - 7.5-10.7 HG2 ARG 23 - HB2 LEU 48 far 0 53 0 - 7.9-30.1 HG2 ARG 23 - HB3 LEU 98 far 0 73 0 - 8.2-37.3 HB2 LEU 119 - HB3 LEU 98 far 0 85 0 - 8.9-16.0 HG LEU 123 - HB2 LEU 48 far 0 64 0 - 8.9-14.0 HG LEU 123 - HB3 LEU 103 far 0 97 0 - 9.1-12.4 HB3 LEU 42 - HB2 LEU 48 far 0 63 0 - 9.5-12.8 HB2 LEU 22 - HB3 LEU 98 far 0 84 0 - 9.8-38.0 HB2 LEU 22 - HB2 LEU 48 far 0 63 0 - 9.9-30.9 Violated in 0 structures by 0.00 A. Peak 3385 from cnoeabs.peaks (0.78, 1.79, 41.89 ppm; 3.92 A): 7 out of 35 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 122 + HB3 LEU 122 OK 99 99 100 100 2.2-3.2 3.1=100 QG1 VAL 63 + HB3 LEU 103 OK 85 100 85 100 3.7-5.7 10965/3.0=45, 10963=37...(40) QD1 LEU 122 + HB3 LEU 122 OK 70 70 100 100 1.9-3.2 3.1=100 QD1 LEU 96 + HB3 LEU 122 OK 64 97 70 95 3.6-6.6 3399=23, 10382/11653=17...(53) QD2 LEU 49 + HB2 LEU 48 OK 35 59 60 97 4.1-6.7 5.0/6598=31, ~9205=24...(39) QD2 LEU 122 + HB3 LEU 103 OK 23 100 35 65 3.4-6.8 3903=8, 11388/3269=7...(25) QD1 ILE 32 - HB2 LEU 48 poor 17 69 25 - 4.2-14.9 QD1 LEU 122 - HB3 LEU 103 poor 16 71 40 55 4.6-6.5 2.1/3903=7, 2.1/3880=6...(23) QD1 LEU 53 - HB3 LEU 122 far 14 95 15 - 4.5-9.1 QD2 LEU 49 - HB3 LEU 122 far 9 91 10 - 4.1-8.1 QD1 LEU 96 - HB3 LEU 98 far 0 87 0 - 5.6-8.2 QD1 LEU 96 - HB3 LEU 103 far 0 97 0 - 5.8-10.1 QD1 LEU 103 - HB3 LEU 122 far 0 100 0 - 5.9-9.6 QD2 LEU 119 - HB3 LEU 103 far 0 85 0 - 5.9-8.2 QD2 LEU 122 - HB3 LEU 98 far 0 90 0 - 6.1-10.2 QG1 VAL 63 - HB3 LEU 122 far 0 100 0 - 6.1-9.4 QD1 LEU 53 - HB3 LEU 103 far 0 96 0 - 6.3-13.4 QD1 ILE 37 - HB2 LEU 48 far 0 70 0 - 6.4-14.1 QD1 LEU 122 - HB3 LEU 98 far 0 59 0 - 6.5-10.3 QD1 LEU 53 - HB2 LEU 48 far 0 63 0 - 6.7-10.6 QD2 LEU 119 - HB3 LEU 122 far 0 84 0 - 6.8-8.6 QD2 LEU 119 - HB3 LEU 98 far 0 73 0 - 7.0-14.1 QD2 LEU 122 - HB2 LEU 48 far 0 69 0 - 7.9-12.7 QD2 LEU 49 - HB3 LEU 103 far 0 92 0 - 8.1-11.5 QD2 LEU 43 - HB2 LEU 48 far 0 39 0 - 8.4-11.2 QD1 ILE 32 - HB3 LEU 103 far 0 100 0 - 8.4-15.4 QD1 LEU 122 - HB2 LEU 48 far 0 43 0 - 8.5-12.4 QD1 LEU 103 - HB3 LEU 98 far 0 92 0 - 8.5-11.1 QD1 ILE 32 - HB3 LEU 122 far 0 99 0 - 8.6-13.6 QD1 ILE 37 - HB3 LEU 122 far 0 100 0 - 8.7-15.3 QD2 LEU 119 - HB2 LEU 48 far 0 53 0 - 8.9-19.0 QG1 VAL 63 - HB2 LEU 48 far 0 71 0 - 9.2-14.0 QD1 LEU 96 - HB2 LEU 48 far 0 65 0 - 9.7-14.0 QD1 LEU 53 - HB3 LEU 98 far 0 84 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3386 from cnoeabs.peaks (0.74, 1.79, 41.89 ppm; 4.01 A): 3 out of 12 assignments used, quality = 1.00: * QD2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 96 + HB3 LEU 122 OK 51 98 55 95 4.3-6.4 2.1/3399=19...(52) QD2 LEU 103 + HB3 LEU 122 OK 35 100 60 59 4.1-7.6 3405/3764=11...(23) QD2 LEU 96 - HB3 LEU 98 poor 16 88 40 47 4.8-8.4 11441/2963=14...(10) QG1 VAL 93 - HB3 LEU 98 far 0 88 0 - 6.6-9.4 QG1 VAL 93 - HB3 LEU 122 far 0 98 0 - 7.0-8.9 QD2 LEU 96 - HB3 LEU 103 far 0 99 0 - 7.8-10.7 QD2 LEU 103 - HB3 LEU 98 far 0 92 0 - 8.1-10.5 QD2 LEU 43 - HB2 LEU 48 far 0 61 0 - 8.4-11.2 HG12 ILE 129 - HB3 LEU 122 far 0 98 0 - 8.7-10.9 QD2 LEU 103 - HB2 LEU 48 far 0 71 0 - 9.8-16.2 QD2 LEU 96 - HB2 LEU 48 far 0 67 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 3387 from cnoeabs.peaks (7.90, 1.79, 41.89 ppm; 4.60 A): 3 out of 10 assignments used, quality = 1.00: * H GLN 104 + HB3 LEU 103 OK 99 100 100 99 2.4-3.0 4.6=99 H SER 106 + HB3 LEU 103 OK 42 100 50 84 5.4-7.9 11469/3.2=27...(16) HD22 ASN 116 + HB3 LEU 103 OK 20 83 30 81 5.4-12.5 ~11425=34, 11416/3.1=24...(9) H GLN 104 - HB3 LEU 122 far 0 100 0 - 7.1-9.0 HD22 ASN 116 - HB3 LEU 122 far 0 82 0 - 7.5-12.5 H GLU 128 - HB3 LEU 122 far 0 96 0 - 8.6-9.8 H SER 106 - HB3 LEU 98 far 0 91 0 - 8.8-14.3 H GLN 104 - HB3 LEU 98 far 0 92 0 - 9.2-10.8 H THR 115 - HB3 LEU 103 far 0 99 0 - 9.7-13.3 HD22 ASN 116 - HB3 LEU 98 far 0 71 0 - 10.0-14.9 Violated in 0 structures by 0.00 A. Peak 3388 from cnoeabs.peaks (8.08, 1.56, 26.63 ppm; 4.27 A): 2 out of 10 assignments used, quality = 1.00: * H LEU 103 + HG LEU 103 OK 100 100 100 100 4.1-4.7 7476/2.1=78, 7477/2.1=70...(26) H ASN 120 + HG LEU 123 OK 47 86 55 100 4.7-7.0 ~11632=43, ~11565=42...(27) H ALA 108 - HG LEU 103 poor 20 100 20 - 3.2-8.9 H ALA 109 - HG LEU 103 far 15 100 15 - 3.6-10.2 H VAL 20 - HG2 ARG 23 poor 6 25 25 - 4.9-9.7 H THR 25 - HG2 ARG 23 poor 6 23 25 - 5.0-8.4 H ALA 108 - HG2 ARG 23 far 0 34 0 - 7.1-40.3 H ALA 109 - HG2 ARG 23 far 0 34 0 - 7.5-41.2 H ASN 120 - HG LEU 103 far 0 100 0 - 7.6-11.2 H VAL 20 - HG LEU 49 far 0 28 0 - 8.9-31.1 Violated in 4 structures by 0.02 A. Peak 3389 from cnoeabs.peaks (4.02, 1.56, 26.63 ppm; 3.91 A): 4 out of 23 assignments used, quality = 1.00: * HA LEU 103 + HG LEU 103 OK 100 100 100 100 2.8-4.0 3397/2.1=89, 4.3=77...(18) HA LEU 119 + HG LEU 123 OK 72 83 90 96 2.5-7.1 3764/3.0=33...(31) HA SER 50 + HG LEU 123 OK 30 66 50 92 2.7-6.8 11636/2.1=45...(23) HA SER 50 + HG LEU 49 OK 27 27 100 98 3.6-5.0 2.9/6620=25, 9218/2.1=24...(35) HB3 SER 124 - HG LEU 123 far 4 78 5 - 3.6-7.2 HB2 SER 124 - HG LEU 123 far 3 64 5 - 4.9-8.1 HA LEU 119 - HG LEU 103 far 0 98 0 - 5.4-9.2 HB3 SER 99 - HG LEU 103 far 0 97 0 - 6.2-9.5 HB2 SER 38 - HG2 ARG 23 far 0 34 0 - 6.3-32.5 HA SER 60 - HG LEU 103 far 0 99 0 - 6.8-8.5 HB3 SER 99 - HG LEU 123 far 0 81 0 - 6.9-11.6 HA LEU 96 - HG LEU 123 far 0 55 0 - 7.5-10.2 HA ILE 37 - HG LEU 49 far 0 39 0 - 7.8-15.2 HA LEU 119 - HG LEU 49 far 0 36 0 - 8.5-13.3 HA GLN 68 - HG2 ARG 23 far 0 21 0 - 8.7-23.0 HA ILE 37 - HG2 ARG 23 far 0 34 0 - 8.7-27.8 HA GLN 68 - HG LEU 49 far 0 24 0 - 9.0-12.0 HA LEU 96 - HG LEU 103 far 0 71 0 - 9.0-11.4 HA VAL 20 - HG LEU 49 far 0 21 0 - 9.1-29.8 HB3 SER 124 - HG LEU 49 far 0 34 0 - 9.1-13.0 HA SER 60 - HG2 ARG 23 far 0 33 0 - 9.3-28.4 HB2 SER 124 - HG LEU 49 far 0 26 0 - 9.6-13.3 HA LEU 96 - HG LEU 49 far 0 22 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 3390 from cnoeabs.peaks (1.58, 1.56, 26.63 ppm; diagonal): 4 out of 4 assignments used, quality = 0.99: HG LEU 123 + HG LEU 123 OK 82 82 - 100 HG LEU 103 + HG LEU 103 OK 81 81 - 100 HG LEU 49 + HG LEU 49 OK 38 38 - 100 HG2 ARG 23 + HG2 ARG 23 OK 34 34 - 100 Reference assignment not found: HB2 LEU 103 - HG LEU 103 Peak 3391 from cnoeabs.peaks (1.79, 1.56, 26.63 ppm; 3.46 A): 2 out of 25 assignments used, quality = 1.00: * HB3 LEU 103 + HG LEU 103 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LEU 123 + HG LEU 123 OK 29 29 100 100 2.2-2.8 3.0=100 HB2 LEU 48 - HG LEU 49 poor 19 34 55 - 3.6-6.4 HG LEU 100 - HG LEU 103 poor 18 90 20 - 3.8-7.1 HB3 LYS 19 - HG2 ARG 23 far 1 25 5 - 3.1-12.6 HB3 LYS 31 - HG2 ARG 23 far 0 25 0 - 5.4-21.6 HB3 LYS 24 - HG2 ARG 23 far 0 23 0 - 5.4-8.2 HB3 LEU 122 - HG LEU 123 far 0 87 0 - 5.5-8.5 HB2 LYS 36 - HG2 ARG 23 far 0 20 0 - 5.6-29.1 HB2 LEU 100 - HG LEU 103 far 0 60 0 - 5.8-7.8 HB3 LEU 122 - HG LEU 103 far 0 100 0 - 6.2-10.2 HG LEU 100 - HG LEU 123 far 0 73 0 - 6.7-11.6 HB3 LYS 26 - HG LEU 103 far 0 68 0 - 6.9-25.0 HB3 LEU 122 - HG LEU 49 far 0 39 0 - 7.3-11.5 HG LEU 100 - HG LEU 49 far 0 31 0 - 7.4-13.4 HB2 LEU 100 - HG LEU 123 far 0 46 0 - 7.8-11.3 HB2 LEU 48 - HG2 ARG 23 far 0 30 0 - 7.9-30.1 HB2 LYS 36 - HG LEU 49 far 0 23 0 - 7.9-18.8 HB3 LEU 98 - HG2 ARG 23 far 0 32 0 - 8.2-37.3 HB3 LYS 19 - HG LEU 49 far 0 28 0 - 8.6-33.8 HB3 LYS 26 - HG LEU 49 far 0 21 0 - 8.8-22.7 HB2 LEU 48 - HG LEU 123 far 0 79 0 - 8.9-14.0 HB3 LEU 103 - HG LEU 123 far 0 87 0 - 9.1-12.4 HB ILE 32 - HG LEU 49 far 0 22 0 - 9.3-15.6 HB3 LEU 123 - HG LEU 103 far 0 38 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 3392 from cnoeabs.peaks (1.56, 1.56, 26.63 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 103 + HG LEU 103 OK 100 100 - 100 HG LEU 123 + HG LEU 123 OK 81 81 - 100 HG LEU 49 + HG LEU 49 OK 31 31 - 100 HG2 ARG 23 + HG2 ARG 23 OK 25 25 - 100 Peak 3393 from cnoeabs.peaks (0.78, 1.56, 26.63 ppm; 3.02 A): 6 out of 33 assignments used, quality = 1.00: * QD1 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 63 + HG LEU 103 OK 78 100 85 91 2.9-4.8 ~11832=16, ~11835=15...(29) QD2 LEU 49 + HG LEU 49 OK 32 32 100 100 2.1-2.1 2.1=100 QD1 LEU 53 + HG LEU 123 OK 29 79 75 49 1.9-5.2 11422/2.1=12...(18) QD1 LEU 122 + HG LEU 123 OK 26 55 75 62 2.5-6.3 11422/2.1=15, 3899/4.6=8...(21) QD2 LEU 119 + HG LEU 123 OK 24 68 55 65 2.3-8.4 3791=13, 3.9/3389=8...(21) QD2 LEU 122 - HG LEU 123 poor 17 86 30 65 2.0-6.8 11639/2.1=12...(22) QD2 LEU 122 - HG LEU 103 far 10 100 10 - 4.2-8.1 QD1 LEU 53 - HG LEU 49 poor 9 34 25 - 3.7-7.3 QD2 LEU 49 - HG LEU 123 far 4 75 5 - 4.4-7.0 QD1 LEU 122 - HG LEU 103 far 4 71 5 - 3.9-7.7 QD2 LEU 119 - HG LEU 103 far 0 85 0 - 4.7-8.7 QD1 LEU 122 - HG LEU 49 far 0 22 0 - 5.0-8.4 QD2 LEU 122 - HG LEU 49 far 0 38 0 - 5.3-9.2 QD1 ILE 32 - HG LEU 49 far 0 38 0 - 5.3-12.4 QD1 ILE 32 - HG2 ARG 23 far 0 33 0 - 5.6-16.6 QD1 ILE 37 - HG LEU 49 far 0 39 0 - 6.2-13.2 QD1 LEU 53 - HG LEU 103 far 0 96 0 - 6.5-14.3 QD1 LEU 96 - HG LEU 49 far 0 36 0 - 6.7-10.0 QD2 LEU 43 - HG LEU 49 far 0 20 0 - 6.8-9.0 QD2 LEU 119 - HG LEU 49 far 0 28 0 - 6.8-14.5 QD1 LEU 96 - HG LEU 103 far 0 97 0 - 7.3-11.9 QG1 VAL 63 - HG LEU 123 far 0 87 0 - 7.6-12.6 QD1 LEU 96 - HG LEU 123 far 0 82 0 - 7.8-10.2 QD1 LEU 103 - HG LEU 123 far 0 87 0 - 7.9-10.5 QG1 VAL 63 - HG2 ARG 23 far 0 34 0 - 8.2-24.2 QD1 ILE 32 - HG LEU 123 far 0 86 0 - 8.3-16.2 QD1 ILE 37 - HG2 ARG 23 far 0 34 0 - 8.3-23.4 QD2 LEU 49 - HG LEU 103 far 0 92 0 - 8.3-12.1 QD1 ILE 32 - HG LEU 103 far 0 100 0 - 8.4-15.6 QD1 ILE 37 - HG LEU 123 far 0 87 0 - 8.5-17.6 QG1 VAL 63 - HG LEU 49 far 0 39 0 - 8.9-11.5 QD2 LEU 43 - HG LEU 123 far 0 51 0 - 9.5-14.7 Violated in 0 structures by 0.00 A. Peak 3394 from cnoeabs.peaks (0.74, 1.56, 26.63 ppm; 3.61 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 103 - HG LEU 123 far 0 87 0 - 6.1-10.8 QD2 LEU 96 - HG LEU 49 far 0 37 0 - 6.2-11.6 QD2 LEU 43 - HG LEU 49 far 0 33 0 - 6.8-9.0 QD2 LEU 96 - HG LEU 123 far 0 84 0 - 8.7-11.4 QD2 LEU 103 - HG LEU 49 far 0 39 0 - 8.8-13.8 HG12 ILE 129 - HG LEU 49 far 0 36 0 - 9.1-12.6 QD2 LEU 96 - HG LEU 103 far 0 99 0 - 9.4-12.3 QD2 LEU 43 - HG LEU 123 far 0 77 0 - 9.5-14.7 QG1 VAL 93 - HG LEU 49 far 0 36 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3395 from cnoeabs.peaks (7.90, 1.56, 26.63 ppm; 4.69 A): 3 out of 10 assignments used, quality = 1.00: * H GLN 104 + HG LEU 103 OK 100 100 100 100 2.2-4.1 7491/2.1=86, 7488/3.0=68...(23) HD22 ASN 116 + HG LEU 103 OK 43 83 60 86 3.3-13.4 ~11425=43, 11416/2.1=29...(9) H SER 106 + HG LEU 103 OK 32 100 40 79 4.0-8.6 11469/2.1=33, ~11535=25...(10) HD22 ASN 116 - HG LEU 123 far 3 66 5 - 5.9-15.4 H GLU 128 - HG LEU 49 far 0 35 0 - 7.3-9.6 H GLU 128 - HG LEU 123 far 0 81 0 - 7.3-9.9 H THR 115 - HG LEU 103 far 0 99 0 - 7.5-12.7 H ALA 41 - HG2 ARG 23 far 0 33 0 - 7.6-32.1 H SER 106 - HG2 ARG 23 far 0 34 0 - 8.1-38.1 H THR 115 - HG LEU 123 far 0 84 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 3396 from cnoeabs.peaks (8.08, 0.78, 24.12 ppm; 3.89 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 103 + QD1 LEU 103 OK 100 100 100 100 3.2-4.4 7476=91, 3.0/3397=75...(31) H ALA 108 + QD1 LEU 103 OK 32 100 40 80 3.6-8.2 11482/11424=32, 11486=24...(16) H ALA 109 - QD1 LEU 103 far 15 100 15 - 2.3-8.4 H LEU 103 - QD1 LEU 96 far 0 69 0 - 6.1-9.9 H ASN 120 - QD1 LEU 103 far 0 100 0 - 6.1-8.7 H ALA 108 - QD1 LEU 96 far 0 69 0 - 8.7-14.8 H ASN 120 - QD1 LEU 96 far 0 68 0 - 9.3-11.7 Violated in 17 structures by 0.18 A. Peak 3397 from cnoeabs.peaks (4.02, 0.78, 24.12 ppm; 3.34 A): 2 out of 17 assignments used, quality = 1.00: * HA LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.0-3.8 3367=98, 3368/2.1=51...(18) HA LEU 96 + QD1 LEU 96 OK 38 41 100 93 2.9-4.1 4.0=60, 3.6/3106=18...(21) HB3 SER 99 - QD1 LEU 96 far 3 63 5 - 4.8-8.1 HA LEU 119 - QD1 LEU 103 far 0 98 0 - 4.9-7.5 HA LYS 95 - QD1 LEU 96 far 0 69 0 - 5.0-6.7 HB3 SER 99 - QD1 LEU 103 far 0 97 0 - 5.3-8.2 HA SER 60 - QD1 LEU 103 far 0 99 0 - 6.0-8.4 HB2 SER 124 - QD1 LEU 96 far 0 49 0 - 7.0-10.3 HA LEU 119 - QD1 LEU 96 far 0 65 0 - 7.1-10.2 HA GLN 68 - QD1 LEU 96 far 0 45 0 - 7.1-8.2 HB3 SER 124 - QD1 LEU 96 far 0 61 0 - 7.7-10.0 HA LEU 103 - QD1 LEU 96 far 0 69 0 - 7.8-12.2 HA LEU 96 - QD1 LEU 103 far 0 71 0 - 8.1-10.5 HA SER 50 - QD1 LEU 96 far 0 50 0 - 8.6-11.5 HA ILE 37 - QD1 LEU 96 far 0 68 0 - 8.8-12.9 HA GLN 68 - QD1 LEU 103 far 0 76 0 - 9.4-13.4 HB3 SER 124 - QD1 LEU 103 far 0 95 0 - 10.0-12.1 Violated in 1 structures by 0.01 A. Peak 3398 from cnoeabs.peaks (1.58, 0.78, 24.12 ppm; 3.16 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.0-3.2 3.2=98, 3.0/3397=52...(23) HG LEU 103 + QD1 LEU 103 OK 81 81 100 100 2.1-2.1 2.1=100 HG LEU 122 - QD1 LEU 96 far 4 38 10 - 3.2-6.9 HG LEU 122 - QD1 LEU 103 far 0 65 0 - 4.8-8.8 HB2 LEU 103 - QD1 LEU 96 far 0 69 0 - 6.4-11.1 HG LEU 49 - QD1 LEU 96 far 0 68 0 - 6.7-10.0 HG LEU 103 - QD1 LEU 96 far 0 49 0 - 7.3-11.9 HG LEU 123 - QD1 LEU 96 far 0 64 0 - 7.8-10.2 HG LEU 123 - QD1 LEU 103 far 0 97 0 - 7.9-10.5 HG13 ILE 37 - QD1 LEU 96 far 0 57 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3399 from cnoeabs.peaks (1.79, 0.78, 24.12 ppm; 3.46 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.0-3.2 3.2=100 HB3 LEU 122 + QD1 LEU 96 OK 30 69 50 88 3.6-6.6 3386/2.1=14...(50) HG LEU 100 - QD1 LEU 96 poor 17 57 30 - 2.9-7.2 HB2 LEU 100 - QD1 LEU 96 poor 14 34 40 - 2.0-5.8 HG LEU 100 - QD1 LEU 103 far 9 90 10 - 2.4-7.5 HB2 LEU 100 - QD1 LEU 103 far 6 60 10 - 4.5-7.7 HB3 LEU 98 - QD1 LEU 96 far 0 66 0 - 5.6-8.2 HB3 LEU 103 - QD1 LEU 96 far 0 69 0 - 5.8-10.1 HB3 LEU 122 - QD1 LEU 103 far 0 100 0 - 5.9-9.6 HB3 LYS 26 - QD1 LEU 103 far 0 68 0 - 6.7-22.5 HB3 LEU 123 - QD1 LEU 96 far 0 21 0 - 7.7-9.6 HB3 LEU 123 - QD1 LEU 103 far 0 38 0 - 7.9-11.7 HB ILE 32 - QD1 LEU 96 far 0 41 0 - 8.0-12.6 HB3 LEU 98 - QD1 LEU 103 far 0 99 0 - 8.5-11.1 HB2 LYS 36 - QD1 LEU 96 far 0 43 0 - 9.4-15.8 HB2 LEU 48 - QD1 LEU 96 far 0 62 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 3400 from cnoeabs.peaks (1.56, 0.78, 24.12 ppm; 2.91 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 + QD1 LEU 103 OK 78 81 100 97 2.0-3.2 3.2=76, 3.0/3397=44...(18) HB2 LEU 119 - QD1 LEU 103 far 0 97 0 - 5.4-8.7 HB2 LEU 103 - QD1 LEU 96 far 0 49 0 - 6.4-11.1 HG LEU 49 - QD1 LEU 96 far 0 57 0 - 6.7-10.0 HB3 LEU 42 - QD1 LEU 96 far 0 62 0 - 7.1-10.2 HG LEU 103 - QD1 LEU 96 far 0 69 0 - 7.3-11.9 HG LEU 123 - QD1 LEU 96 far 0 63 0 - 7.8-10.2 HG LEU 123 - QD1 LEU 103 far 0 97 0 - 7.9-10.5 HB2 LEU 119 - QD1 LEU 96 far 0 63 0 - 8.7-12.0 HG13 ILE 37 - QD1 LEU 96 far 0 68 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3401 from cnoeabs.peaks (0.78, 0.78, 24.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 103 + QD1 LEU 103 OK 100 100 - 100 QD1 LEU 96 + QD1 LEU 96 OK 64 64 - 100 Peak 3402 from cnoeabs.peaks (0.74, 0.78, 24.12 ppm; 2.50 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 96 + QD1 LEU 96 OK 66 66 100 100 1.9-2.1 2.1=100 QG1 VAL 93 + QD1 LEU 96 OK 48 65 90 82 1.7-4.7 3088/2.1=13...(36) HG12 ILE 129 - QD1 LEU 96 far 0 65 0 - 4.0-6.7 QD2 LEU 103 - QD1 LEU 96 far 0 69 0 - 5.4-10.0 QD2 LEU 43 - QD1 LEU 96 far 0 59 0 - 7.1-10.0 QD2 LEU 96 - QD1 LEU 103 far 0 99 0 - 8.1-11.2 QG1 VAL 93 - QD1 LEU 103 far 0 98 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3403 from cnoeabs.peaks (7.90, 0.78, 24.12 ppm; 4.03 A): 3 out of 7 assignments used, quality = 1.00: * H GLN 104 + QD1 LEU 103 OK 100 100 100 100 1.7-4.8 7491/2.1=69, 3.6/3397=67...(34) H SER 106 + QD1 LEU 103 OK 70 100 80 88 4.7-7.8 2.9/11535=24, 11469=23...(22) HD22 ASN 116 + QD1 LEU 103 OK 69 83 95 88 2.4-9.6 1.7/11425=35...(18) H THR 115 - QD1 LEU 103 far 10 99 10 - 5.4-8.7 H GLU 128 - QD1 LEU 96 far 0 63 0 - 5.7-8.4 H GLN 104 - QD1 LEU 96 far 0 69 0 - 7.3-11.0 H SER 106 - QD1 LEU 96 far 0 69 0 - 9.2-13.5 Violated in 0 structures by 0.00 A. Peak 3405 from cnoeabs.peaks (4.02, 0.74, 25.24 ppm; 3.78 A): 3 out of 10 assignments used, quality = 1.00: * HA LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-4.0 3368=87, 3397/2.1=87...(17) HA LEU 119 + QD2 LEU 103 OK 47 98 80 59 3.1-6.4 ~11426=22, 4.9/11841=21...(10) HB3 SER 99 + QD2 LEU 103 OK 40 97 65 64 4.1-6.9 3372/3.1=17...(12) HA SER 60 - QD2 LEU 103 far 0 99 0 - 5.9-7.6 HA LEU 96 - QD2 LEU 103 far 0 71 0 - 6.9-10.3 HB3 SER 124 - QD2 LEU 103 far 0 95 0 - 8.7-11.6 HA SER 50 - QD2 LEU 103 far 0 83 0 - 8.7-13.3 HA GLN 68 - QD2 LEU 103 far 0 76 0 - 9.3-12.1 HA LYS 95 - QD2 LEU 103 far 0 100 0 - 9.6-11.7 HB2 SER 124 - QD2 LEU 103 far 0 81 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 3406 from cnoeabs.peaks (1.58, 0.74, 25.24 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.0-2.7 3.1=100 HG LEU 103 + QD2 LEU 103 OK 81 81 100 100 2.1-2.1 2.1=100 HG LEU 122 - QD2 LEU 103 poor 19 65 70 41 3.2-7.7 3.0/3386=8, 4.6/11715=6...(18) HG LEU 123 - QD2 LEU 103 far 0 97 0 - 6.1-10.8 HG LEU 49 - QD2 LEU 103 far 0 100 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 3407 from cnoeabs.peaks (1.79, 0.74, 25.24 ppm; 3.57 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 100 + QD2 LEU 103 OK 64 90 85 84 2.9-5.3 3251/3.1=11...(29) HB2 LEU 100 + QD2 LEU 103 OK 39 60 70 93 4.4-6.7 ~3370=12, ~3243=11...(45) HB3 LEU 122 - QD2 LEU 103 poor 19 100 35 55 4.1-7.6 3386=12, 3764/3405=9...(20) HB3 LEU 123 - QD2 LEU 103 far 0 38 0 - 6.1-9.9 HB3 LYS 26 - QD2 LEU 103 far 0 68 0 - 6.7-20.2 HB3 LEU 98 - QD2 LEU 103 far 0 99 0 - 8.1-10.5 HB2 LEU 48 - QD2 LEU 103 far 0 96 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 3408 from cnoeabs.peaks (1.56, 0.74, 25.24 ppm; 3.66 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 + QD2 LEU 103 OK 81 81 100 100 2.0-2.7 3.1=100 HB2 LEU 119 - QD2 LEU 103 far 14 97 15 - 4.5-7.2 HG LEU 123 - QD2 LEU 103 far 0 97 0 - 6.1-10.8 HG LEU 49 - QD2 LEU 103 far 0 90 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 3409 from cnoeabs.peaks (0.78, 0.74, 25.24 ppm; 2.50 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 103 + QD2 LEU 103 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 63 + QD2 LEU 103 OK 30 100 35 86 2.7-4.8 2.1/11822=21...(36) QD1 LEU 122 - QD2 LEU 103 poor 9 71 55 22 3.0-5.6 3.1/3386=4...(9) QD2 LEU 122 - QD2 LEU 103 poor 8 100 30 28 2.3-7.0 11612/11822=4...(11) QD2 LEU 119 - QD2 LEU 103 poor 5 85 30 21 2.7-6.2 3.9/3405=4...(10) QD1 LEU 53 - QD2 LEU 103 far 5 96 5 - 3.8-11.2 QD1 LEU 96 - QD2 LEU 103 far 0 97 0 - 5.4-10.0 QD2 LEU 49 - QD2 LEU 103 far 0 92 0 - 6.2-10.3 QD1 ILE 32 - QD2 LEU 103 far 0 100 0 - 7.4-13.4 QD1 ILE 37 - QD2 LEU 103 far 0 100 0 - 9.3-15.3 Violated in 0 structures by 0.00 A. Peak 3410 from cnoeabs.peaks (0.74, 0.74, 25.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 103 + QD2 LEU 103 OK 100 100 - 100 Peak 3412 from cnoeabs.peaks (7.90, 4.09, 58.10 ppm; 3.81 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 104 + HA GLN 104 OK 100 100 100 100 2.7-2.9 3.0=100 H SER 106 + HA GLN 104 OK 35 100 40 88 3.3-6.0 7535/3.6=59, 11781=17...(15) H GLN 104 - HA LEU 98 far 0 58 0 - 7.5-8.8 H SER 106 - HA LEU 98 far 0 57 0 - 7.5-12.3 HD22 ASN 116 - HA GLN 104 far 0 83 0 - 7.5-14.4 H THR 115 - HA GLN 104 far 0 99 0 - 8.2-15.1 Violated in 0 structures by 0.00 A. Peak 3413 from cnoeabs.peaks (4.09, 4.09, 58.10 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLN 104 + HA GLN 104 OK 100 100 - 100 HA LEU 98 + HA LEU 98 OK 45 45 - 100 HA LEU 48 + HA LEU 48 OK 39 39 - 100 Peak 3414 from cnoeabs.peaks (2.19, 4.09, 58.10 ppm; 3.67 A): 3 out of 9 assignments used, quality = 1.00: * HB2 GLN 104 + HA GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 + HA LEU 98 OK 44 45 100 97 3.2-5.2 3287=32, 1.8/3297=30...(20) HB3 GLU 97 + HA LEU 98 OK 29 31 100 96 3.6-4.6 ~7358=33, ~3124=30...(21) HB2 GLN 101 - HA GLN 104 far 0 89 0 - 7.8-9.6 HB3 LEU 69 - HA LEU 48 far 0 33 0 - 8.1-11.8 HB2 GLN 104 - HA LEU 98 far 0 58 0 - 8.5-11.1 HB2 GLN 68 - HA GLN 104 far 0 57 0 - 9.4-14.6 HB2 GLN 68 - HA LEU 48 far 0 25 0 - 9.4-13.5 HB3 GLU 97 - HA GLN 104 far 0 65 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 3415 from cnoeabs.peaks (2.22, 4.09, 58.10 ppm; 3.74 A): 4 out of 15 assignments used, quality = 1.00: * HB3 GLN 104 + HA GLN 104 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLU 97 + HA LEU 98 OK 54 56 100 97 3.6-4.6 ~7358=34, ~3124=31...(23) HB2 GLN 101 + HA LEU 98 OK 46 47 100 98 3.2-5.2 3287=35, 1.8/3297=31...(20) HB3 GLU 102 + HA LEU 98 OK 23 55 75 54 3.2-6.7 3.8/7447=17, 2139/3.6=8...(14) HB3 GLN 104 - HA LEU 98 far 0 58 0 - 7.6-12.0 HB3 GLU 102 - HA GLN 104 far 0 99 0 - 7.6-8.9 HB3 LEU 96 - HA LEU 98 far 0 49 0 - 7.7-8.8 HB3 GLN 127 - HA LEU 48 far 0 54 0 - 7.8-11.7 HB2 GLN 101 - HA GLN 104 far 0 90 0 - 7.8-9.6 HG2 GLN 68 - HA LEU 48 far 0 51 0 - 8.6-16.1 HG2 GLN 68 - HA GLN 104 far 0 98 0 - 9.3-15.9 HB3 LEU 96 - HA GLN 104 far 0 93 0 - 9.3-15.9 HB2 GLN 68 - HA GLN 104 far 0 100 0 - 9.4-14.6 HB2 GLN 68 - HA LEU 48 far 0 54 0 - 9.4-13.5 HB3 GLU 97 - HA GLN 104 far 0 99 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 3416 from cnoeabs.peaks (2.38, 4.09, 58.10 ppm; 3.78 A): 1 out of 12 assignments used, quality = 1.00: * HG2 GLN 104 + HA GLN 104 OK 100 100 100 100 2.1-4.3 3.9=91, 1.8/3417=73...(23) HG3 GLN 27 - HA GLN 104 far 11 76 15 - 4.0-26.1 HG2 GLN 27 - HA GLN 104 far 9 60 15 - 2.7-26.9 HG2 GLU 102 - HA LEU 98 poor 9 37 80 29 2.2-7.1 7457/7447=13, 3.0/3415=6...(6) HG2 GLN 27 - HA LEU 48 far 3 26 10 - 4.0-27.2 HG3 GLN 27 - HA LEU 98 far 2 37 5 - 3.3-28.1 HG3 GLN 27 - HA LEU 48 far 2 35 5 - 2.9-26.3 HG2 GLN 27 - HA LEU 98 far 1 28 5 - 2.0-29.4 HG2 GLU 102 - HA GLN 104 far 0 76 0 - 6.5-9.8 HG3 GLU 55 - HA LEU 48 far 0 43 0 - 8.3-12.2 HG2 GLN 127 - HA LEU 48 far 0 29 0 - 8.6-10.7 HG2 GLN 104 - HA LEU 98 far 0 58 0 - 8.7-12.9 Violated in 6 structures by 0.10 A. Peak 3417 from cnoeabs.peaks (2.47, 4.09, 58.10 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 104 + HA GLN 104 OK 100 100 100 100 2.3-4.2 3.9=100 HG3 GLN 127 - HA LEU 48 far 0 46 0 - 7.7-12.0 HG3 GLN 104 - HA LEU 98 far 0 58 0 - 8.2-12.5 HG2 GLU 55 - HA LEU 48 far 0 52 0 - 8.5-11.1 HG2 MET 11 - HA GLN 104 far 0 99 0 - 10.0-51.6 Violated in 4 structures by 0.01 A. Peak 3418 from cnoeabs.peaks (6.96, 4.09, 58.10 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 104 + HA GLN 104 OK 100 100 100 100 3.0-4.9 7502=100, 1.7/7510=93...(19) HE21 GLN 104 - HA LEU 98 far 0 58 0 - 6.9-14.8 Violated in 3 structures by 0.04 A. Peak 3419 from cnoeabs.peaks (7.43, 4.09, 58.10 ppm; 5.65 A): 1 out of 5 assignments used, quality = 1.00: * HE22 GLN 104 + HA GLN 104 OK 100 100 100 100 1.9-3.9 5.5=100 HE22 GLN 104 - HA LEU 98 far 0 58 0 - 7.9-14.0 H LEU 62 - HA GLN 104 far 0 99 0 - 8.0-11.8 H GLN 61 - HA GLN 104 far 0 99 0 - 8.5-12.0 H LEU 62 - HA LEU 48 far 0 53 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 3420 from cnoeabs.peaks (7.62, 4.09, 58.10 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 105 + HA GLN 104 OK 100 100 100 100 3.3-3.6 3.6=100 H VAL 105 - HA LEU 98 far 0 58 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (4.10, 2.19, 29.39 ppm; 4.32 A): 2 out of 4 assignments used, quality = 0.98: HA GLN 104 + HB2 GLN 104 OK 93 93 100 100 2.2-3.0 3.0=100 * HA GLN 101 + HB2 GLN 104 OK 76 100 85 90 3.2-6.8 3282/7493=46, 3283=27...(11) HA LEU 98 - HB2 GLN 104 far 0 100 0 - 8.5-11.1 HA ILE 32 - HB2 GLN 104 far 0 99 0 - 9.8-21.6 Violated in 0 structures by 0.00 A. Peak 3422 from cnoeabs.peaks (7.90, 2.19, 29.39 ppm; 3.85 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.1-3.3 7493=100, 7494/1.8=87...(23) H SER 106 + HB2 GLN 104 OK 32 100 35 90 3.7-6.7 7535/7523=53...(14) HD22 ASN 116 - HB2 GLN 104 far 0 83 0 - 7.1-15.6 H THR 115 - HB2 GLN 104 far 0 99 0 - 8.8-16.6 Violated in 0 structures by 0.00 A. Peak 3423 from cnoeabs.peaks (4.09, 2.19, 29.39 ppm; 3.84 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLN 101 + HB2 GLN 104 OK 53 93 70 81 3.2-6.8 3282/7493=33, 3283=25...(11) HB THR 65 - HB2 GLN 104 far 0 76 0 - 8.3-13.5 HA LEU 98 - HB2 GLN 104 far 0 89 0 - 8.5-11.1 HA ILE 32 - HB2 GLN 104 far 0 83 0 - 9.8-21.6 Violated in 0 structures by 0.00 A. Peak 3424 from cnoeabs.peaks (2.19, 2.19, 29.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 104 + HB2 GLN 104 OK 100 100 - 100 Peak 3425 from cnoeabs.peaks (2.22, 2.19, 29.39 ppm; 2.71 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 - HB2 GLN 104 far 0 90 0 - 5.2-8.9 HB3 GLU 102 - HB2 GLN 104 far 0 99 0 - 6.7-9.6 HB3 GLU 97 - HB2 GLN 104 far 0 99 0 - 7.0-10.8 HB3 LEU 96 - HB2 GLN 104 far 0 93 0 - 8.1-14.9 HB2 GLN 68 - HB2 GLN 104 far 0 100 0 - 8.2-12.8 HG2 GLN 68 - HB2 GLN 104 far 0 98 0 - 8.6-13.7 Violated in 0 structures by 0.00 A. Peak 3426 from cnoeabs.peaks (2.38, 2.19, 29.39 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 27 - HB2 GLN 104 far 9 60 15 - 2.3-24.2 HG3 GLN 27 - HB2 GLN 104 far 4 76 5 - 2.2-23.3 HG2 GLU 102 - HB2 GLN 104 far 0 76 0 - 7.2-9.8 Violated in 0 structures by 0.00 A. Peak 3427 from cnoeabs.peaks (2.47, 2.19, 29.39 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HB2 GLN 104 far 0 99 0 - 9.5-51.3 Violated in 0 structures by 0.00 A. Peak 3429 from cnoeabs.peaks (7.43, 2.19, 29.39 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HB2 GLN 104 OK 100 100 100 100 1.7-4.0 4.5=100 H LEU 62 - HB2 GLN 104 far 0 99 0 - 8.4-12.1 H GLN 61 - HB2 GLN 104 far 0 99 0 - 9.0-12.8 Violated in 0 structures by 0.00 A. Peak 3430 from cnoeabs.peaks (7.62, 2.19, 29.39 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HB2 GLN 104 OK 100 100 100 100 1.8-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 3431 from cnoeabs.peaks (4.10, 2.22, 29.39 ppm; 4.27 A): 2 out of 3 assignments used, quality = 0.96: HA GLN 104 + HB3 GLN 104 OK 93 93 100 100 2.2-2.9 3.0=100 * HA GLN 101 + HB3 GLN 104 OK 34 100 40 85 2.7-7.4 3282/7494=44...(11) HA LEU 98 - HB3 GLN 104 far 0 100 0 - 7.6-12.0 Violated in 0 structures by 0.00 A. Peak 3432 from cnoeabs.peaks (7.90, 2.22, 29.39 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.1-3.7 7494=100, 7493/1.8=89...(24) H SER 106 + HB3 GLN 104 OK 39 100 45 88 4.0-6.7 7535/4.4=44...(12) HD22 ASN 116 - HB3 GLN 104 far 0 83 0 - 7.1-16.4 H THR 115 - HB3 GLN 104 far 0 99 0 - 9.5-16.8 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (4.09, 2.22, 29.39 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-2.9 3.0=100 HA GLN 101 + HB3 GLN 104 OK 21 93 30 74 2.7-7.4 3282/7494=31...(10) HA LEU 98 - HB3 GLN 104 far 0 89 0 - 7.6-12.0 HB THR 65 - HB3 GLN 104 far 0 76 0 - 8.8-14.2 Violated in 0 structures by 0.00 A. Peak 3434 from cnoeabs.peaks (2.19, 2.22, 29.39 ppm; 2.62 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 104 + HB3 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 - HB3 GLN 104 far 0 89 0 - 5.1-9.5 HB2 GLN 68 - HB3 GLN 104 far 0 57 0 - 8.0-13.2 HB3 GLU 97 - HB3 GLN 104 far 0 65 0 - 8.2-11.5 HB3 LEU 69 - HB3 GLN 104 far 0 73 0 - 8.7-16.0 HB3 GLN 68 - HB3 GLN 104 far 0 97 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 3435 from cnoeabs.peaks (2.22, 2.22, 29.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 104 + HB3 GLN 104 OK 100 100 - 100 Peak 3436 from cnoeabs.peaks (2.38, 2.22, 29.39 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 27 - HB3 GLN 104 far 4 76 5 - 3.8-24.4 HG2 GLN 27 - HB3 GLN 104 far 3 60 5 - 3.6-25.2 HG2 GLU 102 - HB3 GLN 104 far 0 76 0 - 7.3-10.6 Violated in 0 structures by 0.00 A. Peak 3437 from cnoeabs.peaks (2.47, 2.22, 29.39 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HB3 GLN 104 far 0 99 0 - 9.0-51.2 Violated in 0 structures by 0.00 A. Peak 3439 from cnoeabs.peaks (7.43, 2.22, 29.39 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HB3 GLN 104 OK 100 100 100 100 1.7-3.6 4.5=100 H LEU 62 - HB3 GLN 104 poor 20 99 20 - 7.9-11.1 H GLN 61 - HB3 GLN 104 far 5 99 5 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 3440 from cnoeabs.peaks (7.62, 2.22, 29.39 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HB3 GLN 104 OK 100 100 100 100 2.2-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 3441 from cnoeabs.peaks (7.90, 2.38, 34.44 ppm; 4.29 A): 3 out of 5 assignments used, quality = 1.00: * H GLN 104 + HG2 GLN 104 OK 100 100 100 100 1.9-4.6 7495=100, 7496/1.8=95...(24) H GLU 128 + HG2 GLU 128 OK 77 77 100 100 3.1-3.9 4.6=84, 4110/1.8=80...(19) H SER 106 + HG2 GLN 104 OK 44 100 45 97 3.9-7.1 7539/11457=54...(15) HD22 ASN 116 - HG2 GLN 104 far 0 83 0 - 6.7-17.2 H THR 115 - HG2 GLN 104 far 0 99 0 - 8.5-18.5 Violated in 0 structures by 0.00 A. Peak 3442 from cnoeabs.peaks (4.09, 2.38, 34.44 ppm; 3.52 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.1-4.3 3416=91, 3417/1.8=64...(23) HA GLN 101 + HG2 GLN 104 OK 30 93 50 64 3.2-8.1 3282/7495=24...(8) HA PHE 89 - HG2 GLU 128 far 12 83 15 - 3.8-9.6 HA LEU 98 - HG2 GLN 104 far 0 89 0 - 8.7-12.9 HB THR 65 - HG2 GLN 104 far 0 76 0 - 9.2-13.7 HA ILE 32 - HG2 GLN 104 far 0 83 0 - 9.9-22.3 Violated in 10 structures by 0.17 A. Peak 3443 from cnoeabs.peaks (2.19, 2.38, 34.44 ppm; 3.32 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 0 89 0 - 5.2-10.2 HB3 GLU 97 - HG2 GLN 104 far 0 65 0 - 6.9-12.3 HB2 GLN 68 - HG2 GLN 104 far 0 57 0 - 8.0-12.5 HB3 LEU 69 - HG2 GLU 128 far 0 54 0 - 8.5-14.6 HB VAL 133 - HG2 GLU 128 far 0 83 0 - 8.7-12.3 HB3 GLN 68 - HG2 GLN 104 far 0 97 0 - 9.4-13.8 HB3 LEU 69 - HG2 GLN 104 far 0 73 0 - 9.6-15.9 Violated in 0 structures by 0.00 A. Peak 3444 from cnoeabs.peaks (2.22, 2.38, 34.44 ppm; 3.24 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 128 + HG2 GLU 128 OK 83 83 100 100 2.3-3.0 3.0=100 HB3 GLN 127 - HG2 GLU 128 far 0 82 0 - 5.0-7.4 HB2 GLN 101 - HG2 GLN 104 far 0 90 0 - 5.2-10.2 HB3 LEU 96 - HG2 GLU 128 far 0 73 0 - 5.3-10.8 HG2 GLU 91 - HG2 GLU 128 far 0 82 0 - 5.3-12.0 HB3 GLU 97 - HG2 GLN 104 far 0 99 0 - 6.9-12.3 HB3 GLU 102 - HG2 GLN 104 far 0 99 0 - 7.1-10.6 HG2 GLN 68 - HG2 GLN 104 far 0 98 0 - 7.5-13.8 HB2 GLN 68 - HG2 GLN 104 far 0 100 0 - 8.0-12.5 Violated in 0 structures by 0.00 A. Peak 3445 from cnoeabs.peaks (2.38, 2.38, 34.44 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HG2 GLN 104 OK 100 100 - 100 HG2 GLU 128 + HG2 GLU 128 OK 80 80 - 100 Peak 3446 from cnoeabs.peaks (2.47, 2.38, 34.44 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 127 - HG2 GLU 128 far 0 73 0 - 4.3-8.4 HG2 MET 11 - HG2 GLN 104 far 0 99 0 - 7.2-49.1 Violated in 0 structures by 0.00 A. Peak 3447 from cnoeabs.peaks (6.96, 2.38, 34.44 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 104 + HG2 GLN 104 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3448 from cnoeabs.peaks (7.43, 2.38, 34.44 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.3-3.6 3.5=100 QE PHE 89 - HG2 GLU 128 far 0 48 0 - 6.8-10.6 H GLN 61 - HG2 GLN 104 far 0 99 0 - 7.5-12.2 H LEU 62 - HG2 GLN 104 far 0 99 0 - 7.6-11.6 Violated in 0 structures by 0.00 A. Peak 3449 from cnoeabs.peaks (7.62, 2.38, 34.44 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HG2 GLN 104 OK 100 100 100 100 2.1-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 3450 from cnoeabs.peaks (7.90, 2.47, 34.44 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 104 + HG3 GLN 104 OK 100 100 100 100 1.9-4.4 7496=100, 7495/1.8=74...(20) H SER 106 - HG3 GLN 104 poor 19 100 25 78 2.8-6.9 7535/3458=37...(10) HD22 ASN 116 - HG3 GLN 104 far 0 83 0 - 5.8-16.1 H THR 115 - HG3 GLN 104 far 0 99 0 - 7.3-18.5 Violated in 7 structures by 0.12 A. Peak 3451 from cnoeabs.peaks (4.09, 2.47, 34.44 ppm; 3.48 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.3-4.2 3417=76, 3416/1.8=68...(22) HA GLN 101 + HG3 GLN 104 OK 27 93 45 65 2.8-8.2 3282/7496=25...(7) HA LEU 98 - HG3 GLN 104 far 0 89 0 - 8.2-12.5 HA ILE 32 - HG3 GLN 104 far 0 83 0 - 9.4-21.9 Violated in 3 structures by 0.04 A. Peak 3452 from cnoeabs.peaks (2.19, 2.47, 34.44 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 0 89 0 - 4.9-10.3 HB3 GLU 97 - HG3 GLN 104 far 0 65 0 - 6.5-12.3 HB2 GLN 68 - HG3 GLN 104 far 0 57 0 - 8.0-13.5 HB3 LEU 69 - HG3 GLN 104 far 0 73 0 - 8.9-17.3 HB3 GLN 68 - HG3 GLN 104 far 0 97 0 - 9.3-14.8 Violated in 0 structures by 0.00 A. Peak 3453 from cnoeabs.peaks (2.22, 2.47, 34.44 ppm; 3.25 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 0 90 0 - 4.9-10.3 HB3 GLU 102 - HG3 GLN 104 far 0 99 0 - 5.7-9.8 HB3 GLU 97 - HG3 GLN 104 far 0 99 0 - 6.5-12.3 HG2 GLN 68 - HG3 GLN 104 far 0 98 0 - 7.4-14.8 HB2 GLN 68 - HG3 GLN 104 far 0 100 0 - 8.0-13.5 HB3 LEU 96 - HG3 GLN 104 far 0 93 0 - 9.1-16.4 Violated in 0 structures by 0.00 A. Peak 3454 from cnoeabs.peaks (2.38, 2.47, 34.44 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 104 + HG3 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 27 - HG3 GLN 104 far 4 76 5 - 3.3-24.6 HG2 GLN 27 - HG3 GLN 104 far 3 60 5 - 1.9-26.1 HG2 GLU 102 - HG3 GLN 104 far 0 76 0 - 6.4-10.8 Violated in 0 structures by 0.00 A. Peak 3455 from cnoeabs.peaks (2.47, 2.47, 34.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 104 + HG3 GLN 104 OK 100 100 - 100 Peak 3456 from cnoeabs.peaks (6.96, 2.47, 34.44 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 104 + HG3 GLN 104 OK 100 100 100 100 3.6-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3457 from cnoeabs.peaks (7.43, 2.47, 34.44 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.6-3.6 3.5=100 H LEU 62 - HG3 GLN 104 far 0 99 0 - 8.0-11.9 H GLN 61 - HG3 GLN 104 far 0 99 0 - 8.5-12.8 Violated in 0 structures by 0.00 A. Peak 3458 from cnoeabs.peaks (7.62, 2.47, 34.44 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HG3 GLN 104 OK 100 100 100 100 1.6-5.4 5.0=93, 7499/7496=85...(9) Violated in 3 structures by 0.07 A. Peak 3459 from cnoeabs.peaks (7.62, 4.19, 62.60 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HA VAL 105 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3460 from cnoeabs.peaks (4.19, 4.19, 62.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 105 + HA VAL 105 OK 100 100 - 100 Peak 3461 from cnoeabs.peaks (2.26, 4.19, 62.60 ppm; 3.19 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 105 + HA VAL 105 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 GLU 30 - HA VAL 105 far 0 78 0 - 6.5-26.6 HB3 PRO 113 - HA VAL 105 far 0 98 0 - 8.9-20.3 HG2 GLU 97 - HA VAL 105 far 0 99 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 3462 from cnoeabs.peaks (0.96, 4.19, 62.60 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 105 + HA VAL 105 OK 100 100 100 100 2.0-2.4 3473=100, 2.1/3479=69...(13) QG1 VAL 112 - HA VAL 105 far 0 99 0 - 8.2-17.3 QD1 LEU 119 - HA VAL 105 far 0 87 0 - 8.9-14.9 Violated in 0 structures by 0.00 A. Peak 3463 from cnoeabs.peaks (1.00, 4.19, 62.60 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 105 + HA VAL 105 OK 100 100 100 100 3.1-3.2 3.2=100 QG2 VAL 118 - HA VAL 105 far 0 99 0 - 8.2-12.5 Violated in 0 structures by 0.00 A. Peak 3464 from cnoeabs.peaks (7.90, 4.19, 62.60 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * H SER 106 + HA VAL 105 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 104 + HA VAL 105 OK 42 100 50 84 4.6-5.4 7499/3.0=61...(5) Violated in 0 structures by 0.00 A. Peak 3465 from cnoeabs.peaks (4.05, 2.26, 31.98 ppm; 4.12 A): 1 out of 3 assignments used, quality = 0.60: * HA GLU 102 + HB VAL 105 OK 60 100 60 99 4.1-7.5 11508/2.1=86...(13) HA LEU 119 - HB3 PRO 113 far 3 54 5 - 5.3-13.3 HA GLU 102 - HB3 PRO 113 far 0 85 0 - 9.4-20.1 Violated in 20 structures by 1.28 A. Peak 3466 from cnoeabs.peaks (7.62, 2.26, 31.98 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 105 + HB VAL 105 OK 100 100 100 100 3.5-3.8 7530=100, 3478/2.1=81...(11) HD21 ASN 120 - HB3 PRO 113 far 0 71 0 - 7.1-15.2 H VAL 105 - HB3 PRO 113 far 0 85 0 - 7.6-18.7 HD21 ASN 13 - HB VAL 105 far 0 78 0 - 8.8-49.5 Violated in 17 structures by 0.07 A. Peak 3467 from cnoeabs.peaks (4.19, 2.26, 31.98 ppm; 3.29 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 105 + HB VAL 105 OK 100 100 100 100 2.4-2.7 3.0=100 HA LEU 53 - HB3 PRO 113 far 0 77 0 - 4.8-15.0 HA SER 99 - HB3 PRO 113 far 0 49 0 - 6.3-18.6 HB THR 25 - HB VAL 105 far 0 97 0 - 8.5-31.2 HA VAL 105 - HB3 PRO 113 far 0 85 0 - 8.9-20.3 HA HIS 67 - HB VAL 105 far 0 65 0 - 9.3-13.6 HA SER 99 - HB VAL 105 far 0 65 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 3468 from cnoeabs.peaks (2.26, 2.26, 31.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 105 + HB VAL 105 OK 100 100 - 100 HB3 PRO 113 + HB3 PRO 113 OK 81 81 - 100 Peak 3469 from cnoeabs.peaks (0.96, 2.26, 31.98 ppm; 2.76 A): 1 out of 8 assignments used, quality = 1.00: * QG1 VAL 105 + HB VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - HB3 PRO 113 far 10 68 15 - 1.9-9.4 QG1 VAL 112 - HB3 PRO 113 far 0 82 0 - 4.4-4.9 QD2 LEU 53 - HB3 PRO 113 far 0 83 0 - 4.9-16.2 QG1 VAL 57 - HB3 PRO 113 far 0 79 0 - 5.6-13.3 QD1 LEU 119 - HB VAL 105 far 0 87 0 - 9.0-15.4 QG1 VAL 105 - HB3 PRO 113 far 0 85 0 - 9.2-17.7 QG1 VAL 112 - HB VAL 105 far 0 99 0 - 9.4-17.5 Violated in 0 structures by 0.00 A. Peak 3470 from cnoeabs.peaks (1.00, 2.26, 31.98 ppm; 3.06 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 105 + HB VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 118 - HB3 PRO 113 far 0 83 0 - 6.4-12.8 QG2 VAL 105 - HB3 PRO 113 far 0 85 0 - 8.0-16.0 QG2 VAL 118 - HB VAL 105 far 0 99 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 3471 from cnoeabs.peaks (7.90, 2.26, 31.98 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: * H SER 106 + HB VAL 105 OK 100 100 100 100 2.5-3.9 7537=100, 7539/2.1=75...(14) H THR 115 + HB3 PRO 113 OK 46 83 60 92 4.1-5.8 7600/7593=56, ~11939=27...(17) HD22 ASN 116 - HB3 PRO 113 far 10 68 15 - 5.1-10.0 H GLN 104 - HB VAL 105 far 0 100 0 - 5.9-6.7 H GLN 104 - HB3 PRO 113 far 0 85 0 - 7.1-17.4 H SER 106 - HB3 PRO 113 far 0 85 0 - 7.8-18.2 Violated in 0 structures by 0.00 A. Peak 3472 from cnoeabs.peaks (7.62, 0.96, 20.99 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 105 + QG1 VAL 105 OK 100 100 100 100 1.9-3.6 7531=100, 3478/2.1=78...(11) H VAL 105 - QG1 VAL 112 far 0 69 0 - 7.6-15.5 HD21 ASN 13 - QG1 VAL 105 far 0 78 0 - 8.0-40.3 HD21 ASN 120 - QG1 VAL 112 far 0 56 0 - 8.9-12.1 Violated in 4 structures by 0.02 A. Peak 3473 from cnoeabs.peaks (4.19, 0.96, 20.99 ppm; 3.08 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.0-2.4 3462=90, 3479/2.1=65...(12) HA HIS 67 - QG1 VAL 105 far 0 65 0 - 6.3-10.8 HB THR 25 - QG1 VAL 105 far 0 97 0 - 6.3-25.9 HA SER 99 - QG1 VAL 105 far 0 65 0 - 7.2-11.0 HA VAL 105 - QG1 VAL 112 far 0 69 0 - 8.2-17.3 HA LEU 53 - QG1 VAL 112 far 0 62 0 - 8.4-13.8 HA SER 99 - QG1 VAL 112 far 0 38 0 - 9.1-15.3 Violated in 0 structures by 0.00 A. Peak 3474 from cnoeabs.peaks (2.26, 0.96, 20.99 ppm; 2.62 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 PRO 113 - QG1 VAL 112 far 0 65 0 - 4.4-4.9 HG2 GLU 97 - QG1 VAL 105 far 0 99 0 - 6.3-11.9 HG2 GLU 30 - QG1 VAL 105 far 0 78 0 - 7.3-22.4 HG2 GLN 61 - QG1 VAL 112 far 0 56 0 - 8.0-16.2 HB3 PRO 113 - QG1 VAL 105 far 0 98 0 - 9.2-17.7 HB VAL 105 - QG1 VAL 112 far 0 69 0 - 9.4-17.5 Violated in 0 structures by 0.00 A. Peak 3475 from cnoeabs.peaks (0.96, 0.96, 20.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 105 + QG1 VAL 105 OK 100 100 - 100 QG1 VAL 112 + QG1 VAL 112 OK 66 66 - 100 Peak 3476 from cnoeabs.peaks (1.00, 0.96, 20.99 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 105 + QG1 VAL 105 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 118 - QG1 VAL 112 far 0 67 0 - 5.9-10.6 QG2 VAL 118 - QG1 VAL 105 far 0 99 0 - 6.0-11.0 QG2 VAL 105 - QG1 VAL 112 far 0 69 0 - 7.0-13.2 QD1 LEU 69 - QG1 VAL 105 far 0 100 0 - 8.4-14.5 Violated in 0 structures by 0.00 A. Peak 3477 from cnoeabs.peaks (7.90, 0.96, 20.99 ppm; 3.67 A): 3 out of 7 assignments used, quality = 1.00: * H SER 106 + QG1 VAL 105 OK 100 100 100 100 3.8-4.3 7538=93, 7537/2.1=71...(20) H GLN 104 + QG1 VAL 105 OK 70 100 75 94 4.0-5.3 7499/7531=55...(7) H THR 115 + QG1 VAL 112 OK 66 67 100 98 2.8-4.7 7607/10194=68...(17) HD22 ASN 116 - QG1 VAL 112 far 5 53 10 - 4.1-8.1 H GLN 104 - QG1 VAL 112 far 0 69 0 - 6.7-15.0 H SER 106 - QG1 VAL 112 far 0 69 0 - 8.8-14.7 HD22 ASN 116 - QG1 VAL 105 far 0 87 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 3478 from cnoeabs.peaks (7.62, 1.00, 20.13 ppm; 2.99 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 105 + QG2 VAL 105 OK 100 100 100 100 1.6-2.4 7532=91, 7530/2.1=51...(17) HD21 ASN 13 - QG2 VAL 105 far 0 78 0 - 8.3-39.5 Violated in 0 structures by 0.00 A. Peak 3479 from cnoeabs.peaks (4.19, 1.00, 20.13 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 105 + QG2 VAL 105 OK 100 100 100 100 3.1-3.2 3.2=92, 3473/2.1=64...(13) HA SER 99 - QG2 VAL 105 far 0 65 0 - 6.6-10.8 HA HIS 67 - QG2 VAL 105 far 0 65 0 - 7.1-10.0 HB THR 25 - QG2 VAL 105 far 0 97 0 - 8.3-24.2 Violated in 18 structures by 0.04 A. Peak 3480 from cnoeabs.peaks (2.26, 1.00, 20.13 ppm; 2.75 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 105 + QG2 VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 30 - QG2 VAL 105 far 0 78 0 - 6.5-22.5 HG2 GLU 97 - QG2 VAL 105 far 0 99 0 - 7.8-11.6 HB3 PRO 113 - QG2 VAL 105 far 0 98 0 - 8.0-16.0 Violated in 0 structures by 0.00 A. Peak 3481 from cnoeabs.peaks (0.96, 1.00, 20.13 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 105 + QG2 VAL 105 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 119 - QG2 VAL 105 far 0 87 0 - 6.7-11.4 QG1 VAL 112 - QG2 VAL 105 far 0 99 0 - 7.0-13.2 QD2 LEU 53 - QG2 VAL 105 far 0 99 0 - 9.1-15.8 QG1 VAL 126 - QG2 VAL 105 far 0 100 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 3482 from cnoeabs.peaks (1.00, 1.00, 20.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 105 + QG2 VAL 105 OK 100 100 - 100 Peak 3483 from cnoeabs.peaks (7.90, 1.00, 20.13 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * H SER 106 + QG2 VAL 105 OK 100 100 100 100 1.5-2.4 7539=77, 7537/2.1=59...(20) H GLN 104 + QG2 VAL 105 OK 95 100 100 95 3.3-4.8 7499/3478=51, 10070=42...(12) HD22 ASN 116 - QG2 VAL 105 far 0 87 0 - 7.0-10.9 H THR 115 - QG2 VAL 105 far 0 99 0 - 9.1-14.2 Violated in 0 structures by 0.00 A. Peak 3484 from cnoeabs.peaks (7.90, 4.46, 58.89 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * H SER 106 + HA SER 106 OK 100 100 100 100 2.8-2.9 2.9=100 H GLN 104 - HA SER 106 far 0 100 0 - 5.7-7.6 HD22 ASN 116 - HA SER 106 far 0 87 0 - 8.9-15.2 H THR 115 - HA SER 106 far 0 99 0 - 9.8-17.9 Violated in 0 structures by 0.00 A. Peak 3485 from cnoeabs.peaks (4.46, 4.46, 58.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 106 + HA SER 106 OK 100 100 - 100 Peak 3486 from cnoeabs.peaks (3.97, 4.46, 58.89 ppm; 3.16 A): 2 out of 11 assignments used, quality = 1.00: * HB2 SER 106 + HA SER 106 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 SER 106 + HA SER 106 OK 96 96 100 100 2.7-3.0 3.0=100 HA3 GLY 111 - HA SER 106 far 8 81 10 - 2.9-16.4 HA3 GLY 17 - HA SER 106 far 5 100 5 - 4.1-47.6 HB3 SER 107 - HA SER 106 far 5 99 5 - 4.6-6.6 HA2 GLY 17 - HA SER 106 far 0 100 0 - 4.8-49.3 HD3 PRO 113 - HA SER 106 far 0 60 0 - 5.7-18.7 HA GLN 68 - HA SER 106 far 0 65 0 - 6.4-19.5 HA LEU 100 - HA SER 106 far 0 100 0 - 7.1-11.2 HD3 PRO 117 - HA SER 106 far 0 93 0 - 7.5-15.7 HA VAL 20 - HA SER 106 far 0 73 0 - 8.5-43.5 Violated in 0 structures by 0.00 A. Peak 3487 from cnoeabs.peaks (3.98, 4.46, 58.89 ppm; 3.16 A): 2 out of 10 assignments used, quality = 1.00: * HB3 SER 106 + HA SER 106 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 SER 106 + HA SER 106 OK 96 96 100 100 2.7-3.0 3.0=100 HA3 GLY 17 - HA SER 106 far 4 89 5 - 4.1-47.6 HB3 SER 107 - HA SER 106 far 4 87 5 - 4.6-6.6 HA2 GLY 17 - HA SER 106 far 0 89 0 - 4.8-49.3 HA GLN 68 - HA SER 106 far 0 92 0 - 6.4-19.5 HA LEU 100 - HA SER 106 far 0 89 0 - 7.1-11.2 HD3 PRO 117 - HA SER 106 far 0 68 0 - 7.5-15.7 HA VAL 20 - HA SER 106 far 0 96 0 - 8.5-43.5 HB3 SER 99 - HA SER 106 far 0 65 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3488 from cnoeabs.peaks (8.23, 4.46, 58.89 ppm; 3.24 A): 1 out of 5 assignments used, quality = 1.00: * H SER 107 + HA SER 106 OK 100 100 100 100 3.1-3.6 7546=100, 7543/2.9=46...(12) H GLU 30 - HA SER 106 far 0 63 0 - 6.5-26.2 H ARG 23 - HA SER 106 far 0 97 0 - 7.4-40.8 H ALA 29 - HA SER 106 far 0 93 0 - 7.6-27.8 H LYS 31 - HA SER 106 far 0 100 0 - 7.8-28.1 Violated in 18 structures by 0.25 A. Peak 3489 from cnoeabs.peaks (7.90, 3.97, 63.90 ppm; 3.53 A): 2 out of 10 assignments used, quality = 0.99: * H SER 106 + HB2 SER 106 OK 96 100 100 96 2.1-3.2 4.0=67, 7542/1.8=39...(12) H SER 106 + HB3 SER 106 OK 84 87 100 96 2.2-3.2 4.0=67, 7541/1.8=39...(13) H GLN 104 - HB3 SER 107 poor 15 76 20 - 4.7-9.3 H SER 106 - HB3 SER 107 poor 12 76 30 54 4.5-6.5 7543/4.1=39...(5) H GLN 104 - HB2 SER 106 far 0 100 0 - 5.2-8.1 H GLN 104 - HB3 SER 106 far 0 87 0 - 5.6-8.6 HD22 ASN 116 - HB3 SER 106 far 0 70 0 - 6.2-15.2 HD22 ASN 116 - HB3 SER 107 far 0 60 0 - 6.4-16.0 HD22 ASN 116 - HB2 SER 106 far 0 87 0 - 6.6-15.2 H THR 115 - HB3 SER 107 far 0 75 0 - 6.6-19.5 Violated in 0 structures by 0.00 A. Peak 3490 from cnoeabs.peaks (4.46, 3.97, 63.90 ppm; 3.23 A): 2 out of 9 assignments used, quality = 1.00: * HA SER 106 + HB2 SER 106 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 106 + HB3 SER 106 OK 87 87 100 100 2.7-3.0 3.0=100 HA ASP 64 - HB3 SER 107 far 4 76 5 - 3.5-13.3 HA SER 106 - HB3 SER 107 far 4 76 5 - 4.6-6.6 HA PRO 58 - HB2 SER 106 far 0 100 0 - 7.0-19.4 HA ASP 64 - HB3 SER 106 far 0 87 0 - 7.7-17.0 HA PRO 58 - HB3 SER 106 far 0 86 0 - 8.0-19.4 HA ASP 64 - HB2 SER 106 far 0 100 0 - 8.3-16.9 HA ASN 121 - HB3 SER 107 far 0 39 0 - 9.1-21.4 Violated in 0 structures by 0.00 A. Peak 3491 from cnoeabs.peaks (3.97, 3.97, 63.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 SER 106 + HB2 SER 106 OK 100 100 - 100 HB3 SER 106 + HB3 SER 106 OK 79 79 - 100 HB3 SER 107 + HB3 SER 107 OK 75 75 - 100 Peak 3492 from cnoeabs.peaks (3.98, 3.97, 63.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 SER 106 + HB2 SER 106 OK 96 96 - 100 HB3 SER 106 + HB3 SER 106 OK 87 87 - 100 HB3 SER 107 + HB3 SER 107 OK 60 60 - 100 Reference assignment not found: HB3 SER 106 - HB2 SER 106 Peak 3493 from cnoeabs.peaks (8.23, 3.97, 63.90 ppm; 4.32 A): 3 out of 16 assignments used, quality = 1.00: * H SER 107 + HB2 SER 106 OK 100 100 100 100 2.2-4.2 4.5=89, 7546/3.0=82...(14) H SER 107 + HB3 SER 106 OK 87 87 100 100 2.5-3.9 4.5=89, 7546/3.0=82...(15) H SER 107 + HB3 SER 107 OK 76 76 100 100 2.9-4.1 4.1=100 H ALA 29 - HB3 SER 107 far 10 66 15 - 3.8-23.4 H GLU 30 - HB3 SER 107 poor 8 41 20 - 5.3-22.4 H ARG 23 - HB3 SER 107 far 7 70 10 - 4.7-36.7 H GLU 30 - HB3 SER 106 far 2 48 5 - 5.6-27.5 H GLU 30 - HB2 SER 106 far 0 63 0 - 6.6-27.3 H ARG 23 - HB2 SER 106 far 0 97 0 - 6.6-41.2 H LYS 31 - HB3 SER 107 far 0 76 0 - 6.7-24.4 H LYS 31 - HB3 SER 106 far 0 87 0 - 7.0-29.3 H ALA 29 - HB3 SER 106 far 0 76 0 - 7.1-28.6 H ALA 29 - HB2 SER 106 far 0 93 0 - 7.5-28.3 H ARG 23 - HB3 SER 106 far 0 80 0 - 7.6-41.4 H LYS 31 - HB2 SER 106 far 0 100 0 - 8.1-29.2 H LEU 123 - HB3 SER 107 far 0 47 0 - 8.3-18.3 Violated in 0 structures by 0.00 A. Peak 3494 from cnoeabs.peaks (7.90, 3.98, 63.90 ppm; 3.50 A): 2 out of 10 assignments used, quality = 0.99: * H SER 106 + HB3 SER 106 OK 97 100 100 97 2.2-3.2 4.0=65, 7541/1.8=38...(13) H SER 106 + HB2 SER 106 OK 83 87 100 96 2.1-3.2 4.0=65, 7542/1.8=38...(12) H SER 106 - HB3 SER 107 poor 9 46 20 - 4.5-6.5 H GLN 104 - HB3 SER 107 poor 9 46 20 - 4.7-9.3 H GLN 104 - HB2 SER 106 far 0 87 0 - 5.2-8.1 H GLN 104 - HB3 SER 106 far 0 100 0 - 5.6-8.6 HD22 ASN 116 - HB3 SER 106 far 0 87 0 - 6.2-15.2 HD22 ASN 116 - HB3 SER 107 far 0 35 0 - 6.4-16.0 HD22 ASN 116 - HB2 SER 106 far 0 70 0 - 6.6-15.2 H THR 115 - HB3 SER 107 far 0 44 0 - 6.6-19.5 Violated in 0 structures by 0.00 A. Peak 3495 from cnoeabs.peaks (4.46, 3.98, 63.90 ppm; 3.23 A): 2 out of 9 assignments used, quality = 1.00: * HA SER 106 + HB3 SER 106 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 106 + HB2 SER 106 OK 87 87 100 100 2.7-3.0 3.0=100 HA ASP 64 - HB3 SER 107 far 2 46 5 - 3.5-13.3 HA SER 106 - HB3 SER 107 far 2 46 5 - 4.6-6.6 HA PRO 58 - HB2 SER 106 far 0 86 0 - 7.0-19.4 HA ASP 64 - HB3 SER 106 far 0 100 0 - 7.7-17.0 HA PRO 58 - HB3 SER 106 far 0 100 0 - 8.0-19.4 HA ASP 64 - HB2 SER 106 far 0 87 0 - 8.3-16.9 HA ASN 121 - HB3 SER 107 far 0 22 0 - 9.1-21.4 Violated in 0 structures by 0.00 A. Peak 3496 from cnoeabs.peaks (3.97, 3.98, 63.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 SER 106 + HB3 SER 106 OK 96 96 - 100 HB2 SER 106 + HB2 SER 106 OK 87 87 - 100 HB3 SER 107 + HB3 SER 107 OK 44 44 - 100 Reference assignment not found: HB2 SER 106 - HB3 SER 106 Peak 3497 from cnoeabs.peaks (3.98, 3.98, 63.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 SER 106 + HB3 SER 106 OK 100 100 - 100 HB2 SER 106 + HB2 SER 106 OK 79 79 - 100 HB3 SER 107 + HB3 SER 107 OK 35 35 - 100 Peak 3498 from cnoeabs.peaks (8.23, 3.98, 63.90 ppm; 4.40 A): 3 out of 16 assignments used, quality = 1.00: * H SER 107 + HB3 SER 106 OK 100 100 100 100 2.5-3.9 4.5=94, 7546/3.0=83...(15) H SER 107 + HB2 SER 106 OK 87 87 100 100 2.2-4.2 4.5=94, 7546/3.0=83...(14) H SER 107 + HB3 SER 107 OK 46 46 100 100 2.9-4.1 4.1=100 H ALA 29 - HB3 SER 107 far 6 39 15 - 3.8-23.4 H GLU 30 - HB3 SER 107 poor 5 23 20 - 5.3-22.4 H ARG 23 - HB3 SER 107 far 4 41 10 - 4.7-36.7 H GLU 30 - HB3 SER 106 far 3 63 5 - 5.6-27.5 H GLU 30 - HB2 SER 106 far 0 48 0 - 6.6-27.3 H ARG 23 - HB2 SER 106 far 0 80 0 - 6.6-41.2 H LYS 31 - HB3 SER 107 far 0 46 0 - 6.7-24.4 H LYS 31 - HB3 SER 106 far 0 100 0 - 7.0-29.3 H ALA 29 - HB3 SER 106 far 0 93 0 - 7.1-28.6 H ALA 29 - HB2 SER 106 far 0 76 0 - 7.5-28.3 H ARG 23 - HB3 SER 106 far 0 97 0 - 7.6-41.4 H LYS 31 - HB2 SER 106 far 0 87 0 - 8.1-29.2 H LEU 123 - HB3 SER 107 far 0 26 0 - 8.3-18.3 Violated in 0 structures by 0.00 A. Peak 3499 from cnoeabs.peaks (8.23, 4.39, 58.42 ppm; 3.44 A): 2 out of 11 assignments used, quality = 1.00: * H SER 107 + HA SER 107 OK 100 100 100 100 2.3-2.9 3.0=100 H SER 33 + HA SER 33 OK 89 89 100 100 2.7-2.9 3.0=100 H ALA 29 - HA SER 107 far 14 93 15 - 4.0-24.5 H GLU 30 - HA SER 107 far 3 63 5 - 4.5-23.7 H ARG 23 - HA SER 107 far 0 97 0 - 6.3-37.6 H LYS 31 - HA SER 107 far 0 100 0 - 6.5-25.6 H LYS 31 - HA SER 33 far 0 89 0 - 7.0-8.2 H GLU 30 - HA SER 33 far 0 50 0 - 7.4-9.5 H ALA 29 - HA SER 33 far 0 79 0 - 7.5-11.1 H ARG 23 - HA SER 33 far 0 83 0 - 8.6-24.6 H LEU 123 - HA SER 107 far 0 71 0 - 9.3-16.0 Violated in 0 structures by 0.00 A. Peak 3500 from cnoeabs.peaks (4.39, 4.39, 58.42 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 107 + HA SER 107 OK 100 100 - 100 HA SER 9 + HA SER 9 OK 94 94 - 100 HA SER 33 + HA SER 33 OK 85 85 - 100 Peak 3501 from cnoeabs.peaks (3.92, 4.39, 58.42 ppm; 3.37 A): 2 out of 15 assignments used, quality = 1.00: * HB2 SER 107 + HA SER 107 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 33 + HA SER 33 OK 83 83 100 100 2.4-3.0 3.0=100 HA3 GLY 75 - HA SER 33 far 7 70 10 - 4.3-18.4 HB2 SER 60 - HA SER 107 far 5 93 5 - 4.8-15.8 HA3 GLY 75 - HA SER 9 far 4 77 5 - 3.3-45.9 HB3 SER 60 - HA SER 107 far 0 93 0 - 5.7-16.0 HA2 GLY 111 - HA SER 107 far 0 98 0 - 6.1-13.1 HD3 PRO 117 - HA SER 107 far 0 57 0 - 6.6-16.7 HD3 PRO 113 - HA SER 107 far 0 92 0 - 6.6-17.1 HA2 GLY 14 - HA SER 33 far 0 89 0 - 7.2-31.9 HA3 GLY 111 - HA SER 107 far 0 76 0 - 7.7-14.1 HA3 GLY 14 - HA SER 33 far 0 89 0 - 7.9-32.7 HA ALA 41 - HA SER 33 far 0 80 0 - 8.0-13.8 HA ALA 41 - HA SER 9 far 0 87 0 - 8.2-45.9 HB2 SER 51 - HA SER 9 far 0 75 0 - 8.8-50.3 Violated in 0 structures by 0.00 A. Peak 3502 from cnoeabs.peaks (3.96, 4.39, 58.42 ppm; 3.66 A): 3 out of 18 assignments used, quality = 1.00: * HB3 SER 107 + HA SER 107 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 SER 106 + HA SER 107 OK 43 99 50 87 3.9-6.1 ~7546=23, ~3488=22...(14) HB3 SER 106 + HA SER 107 OK 30 87 40 86 4.2-5.8 ~7546=23, ~3488=22...(14) HA LEU 100 - HA SER 107 lone 2 100 25 9 4.7-9.9 10270/10272=3...(3) HA2 GLY 111 - HA SER 107 far 0 60 0 - 6.1-13.1 HD3 PRO 117 - HA SER 107 far 0 99 0 - 6.6-16.7 HD3 PRO 113 - HA SER 107 far 0 76 0 - 6.6-17.1 HA THR 65 - HA SER 107 far 0 97 0 - 6.7-15.6 HA3 GLY 17 - HA SER 33 far 0 89 0 - 7.7-30.2 HA3 GLY 111 - HA SER 107 far 0 92 0 - 7.7-14.1 HA THR 65 - HA SER 33 far 0 84 0 - 7.7-17.1 HA2 GLY 17 - HA SER 9 far 0 95 0 - 7.8-21.9 HA3 GLY 17 - HA SER 107 far 0 100 0 - 7.9-44.4 HB3 SER 51 - HA SER 9 far 0 72 0 - 7.9-48.7 HA2 GLY 17 - HA SER 33 far 0 89 0 - 8.5-29.5 HA2 GLY 17 - HA SER 107 far 0 100 0 - 8.5-46.0 HB2 SER 51 - HA SER 9 far 0 79 0 - 8.8-50.3 HA3 GLY 17 - HA SER 9 far 0 95 0 - 9.5-22.8 Violated in 0 structures by 0.00 A. Peak 3503 from cnoeabs.peaks (8.08, 4.39, 58.42 ppm; 3.76 A): 2 out of 9 assignments used, quality = 1.00: * H ALA 108 + HA SER 107 OK 100 100 100 100 2.9-3.6 3.6=100 H ALA 109 + HA SER 107 OK 20 100 35 59 4.2-7.1 4.6/7555=41...(7) H LEU 103 - HA SER 107 poor 12 100 30 40 2.5-10.1 11417/10272=13...(8) H THR 25 - HA SER 107 far 0 78 0 - 6.7-32.1 H VAL 20 - HA SER 9 far 0 79 0 - 7.2-22.5 H THR 25 - HA SER 33 far 0 64 0 - 7.3-19.8 H THR 25 - HA SER 9 far 0 70 0 - 7.5-29.4 H VAL 20 - HA SER 33 far 0 72 0 - 8.9-27.0 H ASN 120 - HA SER 107 far 0 100 0 - 9.2-17.7 Violated in 0 structures by 0.00 A. Peak 3504 from cnoeabs.peaks (8.23, 3.92, 63.62 ppm; 3.50 A): 2 out of 11 assignments used, quality = 0.99: * H SER 107 + HB2 SER 107 OK 90 100 100 90 2.4-3.5 4.1=64, 7554/7556=39...(6) H SER 33 + HB2 SER 33 OK 87 87 100 100 2.8-3.5 6367=95, 945/1.8=79...(13) H ALA 29 - HB2 SER 107 far 9 93 10 - 4.5-24.6 H GLU 30 - HB2 SER 107 far 3 63 5 - 4.9-23.4 H ARG 23 - HB2 SER 107 far 0 97 0 - 5.0-37.9 H LYS 31 - HB2 SER 33 far 0 87 0 - 5.9-8.8 H ARG 23 - HB2 SER 33 far 0 81 0 - 6.4-24.9 H LYS 31 - HB2 SER 107 far 0 100 0 - 6.5-25.3 H GLU 30 - HB2 SER 33 far 0 49 0 - 7.0-10.0 H ALA 29 - HB2 SER 33 far 0 77 0 - 8.0-12.1 H LEU 123 - HB2 SER 107 far 0 71 0 - 10.0-18.5 Violated in 0 structures by 0.00 A. Peak 3505 from cnoeabs.peaks (4.39, 3.92, 63.62 ppm; 3.20 A): 2 out of 9 assignments used, quality = 1.00: * HA SER 107 + HB2 SER 107 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 33 + HB2 SER 33 OK 83 83 100 100 2.4-3.0 3.0=100 HA PRO 113 - HB2 SER 107 far 5 90 5 - 4.2-19.0 HA ASP 71 - HB2 SER 33 far 0 49 0 - 6.1-15.6 HA ASP 71 - HB2 SER 107 far 0 63 0 - 6.2-18.4 HA CYS 73 - HB2 SER 33 far 0 87 0 - 7.9-17.4 HA PRO 117 - HB2 SER 107 far 0 81 0 - 8.4-20.5 HA ASP 78 - HB2 SER 33 far 0 87 0 - 9.5-24.8 HA THR 115 - HB2 SER 107 far 0 95 0 - 9.7-20.8 Violated in 0 structures by 0.00 A. Peak 3506 from cnoeabs.peaks (3.92, 3.92, 63.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 107 + HB2 SER 107 OK 100 100 - 100 HB2 SER 33 + HB2 SER 33 OK 81 81 - 100 Peak 3507 from cnoeabs.peaks (3.96, 3.92, 63.62 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HB3 SER 107 + HB2 SER 107 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 106 - HB2 SER 107 far 15 99 15 - 3.3-6.0 HB3 SER 106 - HB2 SER 107 far 9 87 10 - 3.8-6.0 HD3 PRO 113 - HB2 SER 107 far 4 76 5 - 4.0-19.0 HA2 GLY 111 - HB2 SER 107 far 3 60 5 - 3.9-14.9 HD3 PRO 117 - HB2 SER 107 far 0 99 0 - 4.8-18.4 HA LEU 100 - HB2 SER 107 far 0 100 0 - 5.4-12.4 HA3 GLY 111 - HB2 SER 107 far 0 92 0 - 5.7-15.6 HA3 GLY 17 - HB2 SER 33 far 0 87 0 - 6.1-29.2 HA2 GLY 17 - HB2 SER 33 far 0 87 0 - 6.7-28.5 HA3 GLY 17 - HB2 SER 107 far 0 100 0 - 7.1-44.8 HA THR 65 - HB2 SER 107 far 0 97 0 - 7.9-15.6 HA2 GLY 17 - HB2 SER 107 far 0 100 0 - 8.1-46.5 HA THR 65 - HB2 SER 33 far 0 82 0 - 9.3-18.1 Violated in 0 structures by 0.00 A. Peak 3508 from cnoeabs.peaks (8.08, 3.92, 63.62 ppm; 6.80 A): 2 out of 8 assignments used, quality = 1.00: * H ALA 108 + HB2 SER 107 OK 100 100 100 100 2.7-4.3 4.7=100 H ALA 109 + HB2 SER 107 OK 97 100 100 97 3.7-7.7 4.6/7556=90...(7) H LEU 103 - HB2 SER 107 poor 15 100 30 49 3.8-12.0 7463/1.8=19, ~7445=14...(7) H THR 25 - HB2 SER 107 far 12 78 15 - 6.7-32.4 H THR 25 - HB2 SER 33 far 3 62 5 - 6.2-20.8 H VAL 20 - HB2 SER 33 far 0 70 0 - 8.8-27.5 H ASN 120 - HB2 SER 107 far 0 100 0 - 9.1-20.4 H VAL 20 - HB2 SER 107 far 0 87 0 - 10.0-43.6 Violated in 0 structures by 0.00 A. Peak 3509 from cnoeabs.peaks (8.23, 3.96, 63.62 ppm; 4.26 A): 3 out of 16 assignments used, quality = 1.00: * H SER 107 + HB3 SER 107 OK 100 100 100 100 2.9-4.1 4.1=100 H SER 107 + HB2 SER 106 OK 76 76 100 100 2.2-4.2 4.5=86, 7546/3.0=80...(13) H SER 107 + HB3 SER 106 OK 46 46 100 100 2.5-3.9 4.5=86, 7546/3.0=80...(14) H ALA 29 - HB3 SER 107 far 14 93 15 - 3.8-23.4 H GLU 30 - HB3 SER 107 poor 13 63 20 - 5.3-22.4 H ARG 23 - HB3 SER 107 far 10 97 10 - 4.7-36.7 H GLU 30 - HB3 SER 106 far 1 23 5 - 5.6-27.5 H GLU 30 - HB2 SER 106 far 0 41 0 - 6.6-27.3 H ARG 23 - HB2 SER 106 far 0 70 0 - 6.6-41.2 H LYS 31 - HB3 SER 107 far 0 100 0 - 6.7-24.4 H LYS 31 - HB3 SER 106 far 0 46 0 - 7.0-29.3 H ALA 29 - HB3 SER 106 far 0 39 0 - 7.1-28.6 H ALA 29 - HB2 SER 106 far 0 66 0 - 7.5-28.3 H ARG 23 - HB3 SER 106 far 0 41 0 - 7.6-41.4 H LYS 31 - HB2 SER 106 far 0 76 0 - 8.1-29.2 H LEU 123 - HB3 SER 107 far 0 71 0 - 8.3-18.3 Violated in 0 structures by 0.00 A. Peak 3510 from cnoeabs.peaks (4.39, 3.96, 63.62 ppm; 4.04 A): 3 out of 12 assignments used, quality = 1.00: * HA SER 107 + HB3 SER 107 OK 100 100 100 100 2.2-2.8 3.0=100 HA SER 107 + HB2 SER 106 OK 35 76 50 93 3.9-6.1 ~7546=29, ~3488=29...(15) HA SER 107 + HB3 SER 106 OK 28 46 65 92 4.2-5.8 ~7546=29, ~3488=29...(14) HA PRO 113 - HB3 SER 107 far 5 90 5 - 3.9-18.6 HA ASP 71 - HB3 SER 107 far 3 63 5 - 4.8-18.4 HA PRO 117 - HB3 SER 107 far 0 81 0 - 8.1-19.9 HA PRO 113 - HB2 SER 106 far 0 63 0 - 8.2-19.6 HA ASP 71 - HB3 SER 106 far 0 23 0 - 9.0-18.6 HA PRO 113 - HB3 SER 106 far 0 37 0 - 9.3-19.4 HA ASP 71 - HB2 SER 106 far 0 41 0 - 9.3-19.0 HA THR 115 - HB3 SER 107 far 0 95 0 - 9.4-20.7 HA THR 115 - HB3 SER 106 far 0 40 0 - 9.7-19.8 Violated in 0 structures by 0.00 A. Peak 3511 from cnoeabs.peaks (3.92, 3.96, 63.62 ppm; 2.50 A): 1 out of 25 assignments used, quality = 1.00: * HB2 SER 107 + HB3 SER 107 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 107 - HB2 SER 106 far 11 76 15 - 3.3-6.0 HB2 SER 107 - HB3 SER 106 far 5 46 10 - 3.8-6.0 HA2 GLY 111 - HB2 SER 106 far 0 72 0 - 4.7-15.9 HA2 GLY 111 - HB3 SER 106 far 0 43 0 - 4.8-15.3 HD3 PRO 113 - HB3 SER 107 far 0 92 0 - 4.9-18.9 HD3 PRO 117 - HB3 SER 107 far 0 57 0 - 5.1-18.7 HA3 GLY 111 - HB3 SER 106 far 0 29 0 - 5.3-16.1 HA3 GLY 111 - HB2 SER 106 far 0 51 0 - 5.5-16.7 HA2 GLY 111 - HB3 SER 107 far 0 98 0 - 5.7-14.5 HA2 GLY 14 - HB2 SER 106 far 0 76 0 - 5.7-48.7 HB3 SER 60 - HB3 SER 107 far 0 93 0 - 6.1-16.3 HB3 SER 60 - HB2 SER 106 far 0 66 0 - 6.2-18.0 HB2 SER 60 - HB2 SER 106 far 0 66 0 - 6.4-17.4 HA2 GLY 14 - HB3 SER 106 far 0 45 0 - 6.6-49.1 HB2 SER 60 - HB3 SER 107 far 0 93 0 - 6.8-15.8 HA3 GLY 14 - HB2 SER 106 far 0 76 0 - 7.2-48.0 HA3 GLY 111 - HB3 SER 107 far 0 76 0 - 7.4-15.3 HD3 PRO 117 - HB3 SER 106 far 0 20 0 - 7.6-18.0 HD3 PRO 113 - HB2 SER 106 far 0 65 0 - 7.8-19.3 HA3 GLY 14 - HB3 SER 106 far 0 46 0 - 7.8-48.3 HD3 PRO 113 - HB3 SER 106 far 0 38 0 - 8.0-19.0 HB3 SER 60 - HB3 SER 106 far 0 39 0 - 8.0-17.8 HD3 PRO 117 - HB2 SER 106 far 0 37 0 - 8.1-17.8 HB2 SER 60 - HB3 SER 106 far 0 39 0 - 8.2-16.9 Violated in 0 structures by 0.00 A. Peak 3512 from cnoeabs.peaks (3.96, 3.96, 63.62 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 SER 107 + HB3 SER 107 OK 100 100 - 100 HB2 SER 106 + HB2 SER 106 OK 75 75 - 100 HB3 SER 106 + HB3 SER 106 OK 35 35 - 100 Peak 3513 from cnoeabs.peaks (8.08, 3.96, 63.62 ppm; 4.27 A): 5 out of 15 assignments used, quality = 1.00: * H ALA 108 + HB3 SER 107 OK 100 100 100 100 2.7-4.6 7555/3.0=80, 7556/1.8=78...(15) H ALA 108 + HB2 SER 106 OK 67 76 90 97 2.1-6.2 7554/4.5=55...(17) H ALA 108 + HB3 SER 106 OK 45 46 100 97 2.1-5.6 7554/4.5=55...(17) H LEU 103 + HB3 SER 107 OK 23 100 30 78 2.7-12.0 11705/11853=33...(14) H ALA 109 + HB3 SER 107 OK 21 100 35 59 4.4-8.2 3.7/10104=33...(6) H ALA 109 - HB3 SER 106 poor 18 46 40 - 3.1-9.3 H ALA 109 - HB2 SER 106 poor 15 76 35 57 3.3-10.0 3.7/10104=15...(11) H LEU 103 - HB2 SER 106 far 8 76 10 - 5.3-9.7 H THR 25 - HB3 SER 107 far 4 78 5 - 5.2-31.2 H VAL 20 - HB3 SER 106 far 2 35 5 - 5.7-47.0 H VAL 20 - HB2 SER 106 far 0 60 0 - 5.8-46.8 H LEU 103 - HB3 SER 106 far 0 46 0 - 6.1-10.5 H ASN 120 - HB3 SER 107 far 0 100 0 - 7.7-19.5 H VAL 20 - HB3 SER 107 far 0 87 0 - 9.2-42.5 H THR 25 - HB3 SER 106 far 0 30 0 - 9.9-36.2 Violated in 0 structures by 0.00 A. Peak 3514 from cnoeabs.peaks (8.08, 4.28, 52.75 ppm; 4.34 A): 6 out of 32 assignments used, quality = 1.00: * H ALA 108 + HA ALA 108 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 109 + HA ALA 108 OK 100 100 100 100 2.1-3.6 3.6=100 H ALA 109 + HA ALA 110 OK 90 96 100 93 4.0-5.6 4.7/7570=33, 7565=21...(38) H ALA 109 + HA ALA 109 OK 59 59 100 100 2.3-2.9 3.0=100 H ALA 108 + HA ALA 109 OK 40 59 100 68 4.0-5.6 ~7564=15, ~7566=15...(26) H VAL 20 + HA ALA 21 OK 37 39 100 95 4.5-5.3 6173/3.0=68, ~6176=38...(8) H VAL 20 - HA ALA 15 far 9 61 15 - 2.7-11.0 H VAL 20 - HA ALA 16 far 8 77 10 - 3.9-10.3 H ALA 108 - HA ALA 110 far 5 97 5 - 5.2-9.1 H THR 25 - HA ALA 21 far 3 34 10 - 3.6-10.6 H ALA 108 - HA ALA 21 far 3 51 5 - 3.8-43.6 H ALA 109 - HA ALA 21 far 3 51 5 - 3.9-44.4 H LEU 103 - HA ALA 108 far 0 100 0 - 5.9-12.9 H VAL 20 - HA ALA 12 far 0 45 0 - 6.0-16.2 H THR 25 - HA ALA 108 far 0 78 0 - 6.0-36.4 H VAL 20 - HA ALA 110 far 0 80 0 - 6.3-51.2 H VAL 20 - HA ALA 108 far 0 87 0 - 6.4-47.9 H THR 25 - HA ALA 109 far 0 39 0 - 7.5-38.7 H THR 25 - HA ALA 15 far 0 54 0 - 8.0-21.1 H LEU 103 - HA ALA 110 far 0 97 0 - 8.1-17.1 H ALA 109 - HA ALA 15 far 0 78 0 - 8.5-51.9 H VAL 20 - HA ALA 109 far 0 45 0 - 8.5-50.1 H LEU 103 - HA ALA 109 far 0 59 0 - 8.5-13.1 H ALA 108 - HA ALA 15 far 0 78 0 - 8.6-51.0 H THR 25 - HA ALA 16 far 0 69 0 - 8.7-19.4 H ASN 120 - HA ALA 109 far 0 58 0 - 8.8-16.8 H LEU 103 - HA ALA 21 far 0 51 0 - 8.8-38.0 H ALA 109 - HA ALA 16 far 0 94 0 - 9.0-48.8 H THR 25 - HA ALA 12 far 0 39 0 - 9.0-21.6 H ASN 120 - HA ALA 110 far 0 96 0 - 9.1-18.9 H ALA 108 - HA ALA 16 far 0 94 0 - 9.4-47.8 H LEU 103 - HA ALA 15 far 0 78 0 - 9.8-45.4 Violated in 0 structures by 0.00 A. Peak 3515 from cnoeabs.peaks (4.28, 4.28, 52.75 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 108 + HA ALA 108 OK 100 100 - 100 HA ALA 110 + HA ALA 110 OK 94 94 - 100 HA ALA 16 + HA ALA 16 OK 94 94 - 100 HA ALA 15 + HA ALA 15 OK 75 75 - 100 HA ALA 109 + HA ALA 109 OK 59 59 - 100 HA ALA 12 + HA ALA 12 OK 56 56 - 100 HA ALA 21 + HA ALA 21 OK 45 45 - 100 Peak 3516 from cnoeabs.peaks (1.38, 4.28, 52.75 ppm; 2.50 A): 7 out of 80 assignments used, quality = 1.00: * QB ALA 108 + HA ALA 108 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 96 96 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 78 78 100 100 2.1-2.1 2.1=100 QB ALA 16 + HA ALA 16 OK 73 73 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 58 58 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 35 35 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 22 94 55 43 3.7-4.3 6124/3.0=16, ~6122=7...(8) QB ALA 109 - HA ALA 110 poor 19 96 20 - 3.6-4.6 QB ALA 109 - HA ALA 108 poor 13 100 50 27 3.7-4.9 ~7564=5, ~7566=5...(7) QB ALA 110 - HA ALA 109 poor 10 59 35 47 3.8-5.0 2.9/7570=15, ~7571=5...(17) QB ALA 12 - HA ALA 16 far 9 62 15 - 2.9-10.8 QB ALA 16 - HA ALA 15 far 9 58 15 - 4.0-5.0 QB ALA 108 - HA ALA 109 poor 7 59 45 25 3.6-4.9 7564/3.0=11, 2.9/7558=4...(6) HG2 LYS 19 - HA ALA 15 far 6 58 10 - 2.8-13.4 HG2 LYS 24 - HA ALA 21 far 5 50 10 - 2.3-10.7 QB ALA 108 - HA ALA 110 far 5 97 5 - 3.8-7.1 QB ALA 12 - HA ALA 15 far 5 48 10 - 3.5-8.6 QB ALA 110 - HA ALA 16 far 5 94 5 - 3.9-45.0 QB ALA 16 - HA ALA 12 far 4 42 10 - 2.2-11.1 QB ALA 16 - HA ALA 110 far 4 76 5 - 3.4-42.4 QB ALA 108 - HA ALA 21 far 3 51 5 - 3.3-36.5 QB ALA 12 - HA ALA 21 far 1 30 5 - 3.5-16.2 QB ALA 28 - HA ALA 21 far 0 51 0 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 59 0 - 4.2-9.3 QB ALA 16 - HA ALA 21 far 0 36 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 100 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 51 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 73 0 - 4.7-10.8 HG3 LYS 31 - HA ALA 15 far 0 76 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 92 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 100 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 51 0 - 5.2-38.2 HG2 LYS 19 - HA ALA 12 far 0 42 0 - 5.5-18.1 QB ALA 29 - HA ALA 108 far 0 100 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 59 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 100 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 58 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 100 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 78 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 93 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 77 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 94 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 93 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 51 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 76 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 96 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 59 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 58 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 36 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 78 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 51 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 58 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 51 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 77 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 42 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 100 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 77 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 78 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 96 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 97 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 51 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 99 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 42 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 77 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 93 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 58 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 59 0 - 8.0-45.2 HG3 LYS 31 - HA ALA 21 far 0 50 0 - 8.3-20.2 QB ALA 29 - HA ALA 109 far 0 58 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 83 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 100 0 - 8.7-42.9 QB ALA 108 - HA ALA 16 far 0 94 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 96 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 65 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 83 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 50 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 100 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 96 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 78 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 93 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 3517 from cnoeabs.peaks (8.08, 4.28, 52.75 ppm; 4.35 A): 6 out of 32 assignments used, quality = 1.00: * H ALA 109 + HA ALA 108 OK 100 100 100 100 2.1-3.6 3.6=100 H ALA 108 + HA ALA 108 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 109 + HA ALA 110 OK 90 97 100 93 4.0-5.6 4.7/7570=33, 7565=21...(38) H ALA 109 + HA ALA 109 OK 59 59 100 100 2.3-2.9 3.0=100 H ALA 108 + HA ALA 109 OK 40 59 100 69 4.0-5.6 ~7564=15, ~7566=15...(26) H VAL 20 + HA ALA 21 OK 34 36 100 94 4.5-5.3 6173/3.0=63, ~6176=39...(8) H VAL 20 - HA ALA 15 far 9 58 15 - 2.7-11.0 H VAL 20 - HA ALA 16 far 7 73 10 - 3.9-10.3 H ALA 108 - HA ALA 110 far 5 96 5 - 5.2-9.1 H THR 25 - HA ALA 21 far 4 36 10 - 3.6-10.6 H ALA 109 - HA ALA 21 far 3 51 5 - 3.9-44.4 H ALA 108 - HA ALA 21 far 3 51 5 - 3.8-43.6 H LEU 103 - HA ALA 108 far 0 100 0 - 5.9-12.9 H VAL 20 - HA ALA 12 far 0 42 0 - 6.0-16.2 H THR 25 - HA ALA 108 far 0 83 0 - 6.0-36.4 H VAL 20 - HA ALA 110 far 0 76 0 - 6.3-51.2 H VAL 20 - HA ALA 108 far 0 83 0 - 6.4-47.9 H THR 25 - HA ALA 109 far 0 42 0 - 7.5-38.7 H THR 25 - HA ALA 15 far 0 58 0 - 8.0-21.1 H LEU 103 - HA ALA 110 far 0 97 0 - 8.1-17.1 H ALA 109 - HA ALA 15 far 0 78 0 - 8.5-51.9 H VAL 20 - HA ALA 109 far 0 42 0 - 8.5-50.1 H LEU 103 - HA ALA 109 far 0 59 0 - 8.5-13.1 H ALA 108 - HA ALA 15 far 0 78 0 - 8.6-51.0 H THR 25 - HA ALA 16 far 0 73 0 - 8.7-19.4 H ASN 120 - HA ALA 109 far 0 57 0 - 8.8-16.8 H LEU 103 - HA ALA 21 far 0 51 0 - 8.8-38.0 H ALA 109 - HA ALA 16 far 0 94 0 - 9.0-48.8 H THR 25 - HA ALA 12 far 0 42 0 - 9.0-21.6 H ASN 120 - HA ALA 110 far 0 95 0 - 9.1-18.9 H ALA 108 - HA ALA 16 far 0 94 0 - 9.4-47.8 H LEU 103 - HA ALA 15 far 0 78 0 - 9.8-45.4 Violated in 0 structures by 0.00 A. Peak 3518 from cnoeabs.peaks (8.08, 1.38, 19.17 ppm; 3.10 A): 4 out of 33 assignments used, quality = 1.00: * H ALA 108 + QB ALA 108 OK 100 100 100 100 2.2-3.0 2.9=100 H ALA 109 + QB ALA 109 OK 88 88 100 100 2.1-3.0 2.9=100 H ALA 109 + QB ALA 108 OK 77 100 100 77 1.9-3.5 3.7=60, 4.6/7559=26...(9) H ALA 108 + QB ALA 109 OK 31 88 60 58 3.5-5.7 7559/4.6=26, 7559=8...(10) H ALA 109 - QB ALA 110 poor 20 100 30 67 3.3-5.8 4.7/7573=15, 7564=10...(26) H ALA 108 - QB ALA 110 far 10 100 10 - 3.4-8.3 H VAL 20 - QB ALA 15 far 9 86 10 - 3.5-10.2 H ALA 108 - QB ALA 28 far 5 99 5 - 3.6-23.3 H THR 25 - QB ALA 28 lone 4 76 35 15 3.0-10.1 3.0/11150=4, 6245/6253=4...(4) H THR 25 - QB ALA 29 far 0 74 0 - 4.9-10.1 H VAL 20 - QB ALA 110 far 0 86 0 - 5.0-43.2 H LEU 103 - QB ALA 110 far 0 100 0 - 5.1-14.8 H ALA 108 - QB ALA 29 far 0 98 0 - 5.3-20.7 H LEU 103 - QB ALA 108 far 0 100 0 - 5.3-10.7 H THR 25 - QB ALA 109 far 0 63 0 - 5.3-31.0 H VAL 20 - QB ALA 28 far 0 84 0 - 5.5-17.5 H THR 25 - QB ALA 15 far 0 77 0 - 5.7-16.6 H ASN 120 - QB ALA 110 far 0 100 0 - 5.7-16.5 H THR 25 - QB ALA 108 far 0 78 0 - 5.8-29.4 H ALA 109 - QB ALA 28 far 0 99 0 - 5.9-23.7 H ASN 120 - QB ALA 109 far 0 87 0 - 6.5-15.2 H VAL 20 - QB ALA 29 far 0 82 0 - 6.7-18.8 H ALA 109 - QB ALA 15 far 0 100 0 - 6.8-42.8 H LEU 103 - QB ALA 109 far 0 88 0 - 6.9-12.4 H VAL 20 - QB ALA 109 far 0 71 0 - 7.0-40.5 H VAL 20 - QB ALA 108 far 0 87 0 - 7.3-39.1 H ASN 120 - QB ALA 108 far 0 100 0 - 7.4-16.5 H ALA 108 - QB ALA 15 far 0 100 0 - 7.5-42.0 H ALA 109 - QB ALA 29 far 0 98 0 - 7.7-21.1 H THR 25 - QB ALA 110 far 0 78 0 - 7.8-34.0 H LEU 103 - QB ALA 29 far 0 98 0 - 7.9-16.3 H LEU 103 - QB ALA 28 far 0 99 0 - 8.3-20.4 H LEU 103 - QB ALA 15 far 0 100 0 - 9.1-37.3 Violated in 0 structures by 0.00 A. Peak 3519 from cnoeabs.peaks (4.28, 1.38, 19.17 ppm; 2.50 A): 5 out of 93 assignments used, quality = 1.00: * HA ALA 108 + QB ALA 108 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 110 + QB ALA 110 OK 99 99 100 100 2.1-2.1 2.1=100 HA ALA 15 + QB ALA 15 OK 98 98 100 100 2.1-2.1 2.1=100 HA ALA 109 + QB ALA 109 OK 88 88 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 15 OK 24 100 55 43 3.7-4.3 3.0/6124=16, ~6122=7...(9) HA ALA 110 - QB ALA 109 poor 17 86 20 - 3.6-4.6 HA ALA 109 - QB ALA 110 poor 16 100 35 45 3.8-5.0 7570/2.9=15, ~7571=5...(15) HA LYS 31 - QB ALA 15 far 15 100 15 - 1.9-22.8 HA ARG 23 - QB ALA 28 far 14 96 15 - 1.8-12.2 HA THR 25 - QB ALA 28 far 14 91 15 - 3.4-8.5 HA ALA 108 - QB ALA 109 poor 11 88 50 26 3.7-4.9 ~7564=5, ~7566=5...(7) HA ALA 109 - QB ALA 108 poor 11 100 45 25 3.6-4.9 3.0/7564=11, 7558/2.9=4...(6) HA GLN 61 - QB ALA 29 far 10 97 10 - 3.3-14.9 HA LYS 26 - QB ALA 28 far 10 97 10 - 3.8-7.4 HB THR 115 - QB ALA 109 far 9 88 10 - 3.5-12.8 HA ALA 16 - QB ALA 110 far 5 100 5 - 3.9-45.0 HA ALA 110 - QB ALA 108 far 5 99 5 - 3.8-7.1 HA LYS 26 - QB ALA 110 far 5 98 5 - 3.4-31.5 HA LEU 22 - QB ALA 108 far 5 98 5 - 3.4-34.1 HA LYS 19 - QB ALA 15 far 5 97 5 - 3.6-11.2 HA LEU 22 - QB ALA 28 far 5 96 5 - 2.0-15.4 HA ALA 21 - QB ALA 108 far 5 95 5 - 3.3-36.5 HA THR 18 - QB ALA 15 far 5 91 5 - 3.8-9.2 HA ARG 23 - QB ALA 109 far 4 84 5 - 2.2-33.4 HA LYS 26 - QB ALA 109 far 0 85 0 - 4.0-28.9 HA ALA 21 - QB ALA 28 far 0 92 0 - 4.1-16.3 HA THR 25 - QB ALA 29 far 0 89 0 - 4.2-10.8 HA ALA 12 - QB ALA 15 far 0 98 0 - 4.2-9.3 HA THR 18 - QB ALA 28 far 0 89 0 - 4.2-20.7 HA GLN 61 - QB ALA 108 far 0 100 0 - 4.2-16.5 HA ALA 108 - QB ALA 28 far 0 99 0 - 4.4-24.8 HA THR 18 - QB ALA 110 far 0 91 0 - 4.4-44.9 HB THR 115 - QB ALA 110 far 0 100 0 - 4.5-11.4 HA GLN 61 - QB ALA 28 far 0 99 0 - 4.5-19.9 HA LYS 26 - QB ALA 29 far 0 96 0 - 5.0-9.8 HA SER 74 - QB ALA 29 far 0 89 0 - 5.1-17.1 HA ALA 108 - QB ALA 110 far 0 100 0 - 5.2-7.7 HA ALA 21 - QB ALA 109 far 0 79 0 - 5.2-38.2 HA LYS 26 - QB ALA 108 far 0 99 0 - 5.2-27.3 HA ARG 23 - QB ALA 110 far 0 98 0 - 5.2-36.2 HA LYS 19 - QB ALA 28 far 0 95 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 99 0 - 5.5-7.8 HA ARG 23 - QB ALA 108 far 0 98 0 - 5.5-32.0 HA LYS 36 - QB ALA 29 far 0 98 0 - 5.6-13.8 HA LYS 26 - QB ALA 15 far 0 98 0 - 5.6-18.8 HA ALA 108 - QB ALA 29 far 0 98 0 - 5.7-22.1 HA ALA 12 - QB ALA 28 far 0 97 0 - 5.7-22.6 HA THR 25 - QB ALA 109 far 0 78 0 - 5.8-29.6 HA ARG 23 - QB ALA 29 far 0 95 0 - 5.9-12.4 HA LEU 22 - QB ALA 109 far 0 84 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 98 0 - 6.1-7.3 HA ARG 23 - QB ALA 15 far 0 97 0 - 6.2-16.4 HA ALA 15 - QB ALA 28 far 0 97 0 - 6.2-22.3 HA ALA 16 - QB ALA 109 far 0 88 0 - 6.2-42.1 HA ALA 16 - QB ALA 28 far 0 99 0 - 6.4-21.8 HA GLN 61 - QB ALA 109 far 0 87 0 - 6.4-17.7 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.5-19.5 HA ALA 21 - QB ALA 110 far 0 94 0 - 6.5-41.1 HA SER 74 - QB ALA 28 far 0 91 0 - 6.6-22.0 HA ALA 110 - QB ALA 15 far 0 98 0 - 6.6-46.6 HA ALA 109 - QB ALA 28 far 0 99 0 - 6.7-26.0 HA LYS 19 - QB ALA 110 far 0 97 0 - 6.8-43.3 HA THR 25 - QB ALA 108 far 0 93 0 - 6.8-27.8 HA LEU 22 - QB ALA 29 far 0 95 0 - 7.0-15.2 HA THR 18 - QB ALA 109 far 0 76 0 - 7.0-41.9 HA THR 25 - QB ALA 110 far 0 93 0 - 7.1-32.7 HA ALA 15 - QB ALA 110 far 0 98 0 - 7.1-47.6 HA ALA 21 - QB ALA 29 far 0 91 0 - 7.1-16.4 HA LEU 22 - QB ALA 110 far 0 98 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 97 0 - 7.3-14.9 HA ALA 21 - QB ALA 15 far 0 94 0 - 7.3-13.0 HB THR 115 - QB ALA 108 far 0 100 0 - 7.4-14.5 HA ALA 15 - QB ALA 29 far 0 96 0 - 7.4-22.4 HA ALA 15 - QB ALA 109 far 0 85 0 - 7.5-44.5 HA LYS 31 - QB ALA 108 far 0 100 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 83 0 - 7.8-40.6 HA ALA 110 - QB ALA 28 far 0 97 0 - 7.8-26.6 HA THR 25 - QB ALA 15 far 0 92 0 - 7.8-18.5 HA LYS 19 - QB ALA 29 far 0 94 0 - 8.0-19.1 HA ALA 109 - QB ALA 15 far 0 100 0 - 8.0-45.2 HA GLN 61 - QB ALA 15 far 0 99 0 - 8.1-30.8 HA THR 18 - QB ALA 29 far 0 88 0 - 8.1-20.6 HA THR 18 - QB ALA 108 far 0 92 0 - 8.4-40.4 HA LYS 36 - QB ALA 28 far 0 99 0 - 8.4-17.1 HA LYS 19 - QB ALA 108 far 0 97 0 - 8.5-39.5 HA LYS 36 - QB ALA 15 far 0 100 0 - 8.6-28.8 HA ALA 109 - QB ALA 29 far 0 98 0 - 8.6-23.4 HA ALA 108 - QB ALA 15 far 0 100 0 - 8.7-42.9 HB THR 115 - QB ALA 15 far 0 100 0 - 9.0-43.9 HA ALA 16 - QB ALA 108 far 0 100 0 - 9.1-40.0 HA ALA 110 - QB ALA 29 far 0 96 0 - 9.1-24.9 HA LYS 31 - QB ALA 109 far 0 88 0 - 9.1-27.0 HA ALA 15 - QB ALA 108 far 0 99 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 3520 from cnoeabs.peaks (1.38, 1.38, 19.17 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * QB ALA 108 + QB ALA 108 OK 100 100 - 100 QB ALA 110 + QB ALA 110 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 100 100 - 100 QB ALA 28 + QB ALA 28 OK 99 99 - 100 QB ALA 29 + QB ALA 29 OK 97 97 - 100 QB ALA 109 + QB ALA 109 OK 87 87 - 100 Peak 3521 from cnoeabs.peaks (8.08, 1.38, 19.17 ppm; 3.10 A): 5 out of 33 assignments used, quality = 1.00: H ALA 108 + QB ALA 108 OK 100 100 100 100 2.2-3.0 2.9=100 H ALA 109 + QB ALA 109 OK 88 88 100 100 2.1-3.0 2.9=100 * H ALA 109 + QB ALA 108 OK 77 100 100 77 1.9-3.5 3.7=60, 4.6/7559=26...(9) H ALA 108 + QB ALA 109 OK 30 88 60 58 3.5-5.7 7559/4.6=26, 7559=8...(10) H ALA 109 + QB ALA 110 OK 20 100 30 67 3.3-5.8 4.7/7573=15, 7564=10...(26) H ALA 108 - QB ALA 110 far 10 100 10 - 3.4-8.3 H VAL 20 - QB ALA 15 far 8 82 10 - 3.5-10.2 H ALA 108 - QB ALA 28 far 5 99 5 - 3.6-23.3 H THR 25 - QB ALA 28 lone 4 80 35 16 3.0-10.1 3.0/11150=4, 6245/6253=4...(4) H THR 25 - QB ALA 29 far 0 78 0 - 4.9-10.1 H VAL 20 - QB ALA 110 far 0 82 0 - 5.0-43.2 H LEU 103 - QB ALA 110 far 0 100 0 - 5.1-14.8 H ALA 108 - QB ALA 29 far 0 98 0 - 5.3-20.7 H LEU 103 - QB ALA 108 far 0 100 0 - 5.3-10.7 H THR 25 - QB ALA 109 far 0 67 0 - 5.3-31.0 H VAL 20 - QB ALA 28 far 0 80 0 - 5.5-17.5 H THR 25 - QB ALA 15 far 0 82 0 - 5.7-16.6 H ASN 120 - QB ALA 110 far 0 99 0 - 5.7-16.5 H THR 25 - QB ALA 108 far 0 83 0 - 5.8-29.4 H ALA 109 - QB ALA 28 far 0 99 0 - 5.9-23.7 H ASN 120 - QB ALA 109 far 0 86 0 - 6.5-15.2 H VAL 20 - QB ALA 29 far 0 78 0 - 6.7-18.8 H ALA 109 - QB ALA 15 far 0 100 0 - 6.8-42.8 H LEU 103 - QB ALA 109 far 0 88 0 - 6.9-12.4 H VAL 20 - QB ALA 109 far 0 67 0 - 7.0-40.5 H VAL 20 - QB ALA 108 far 0 83 0 - 7.3-39.1 H ASN 120 - QB ALA 108 far 0 99 0 - 7.4-16.5 H ALA 108 - QB ALA 15 far 0 100 0 - 7.5-42.0 H ALA 109 - QB ALA 29 far 0 98 0 - 7.7-21.1 H THR 25 - QB ALA 110 far 0 82 0 - 7.8-34.0 H LEU 103 - QB ALA 29 far 0 98 0 - 7.9-16.3 H LEU 103 - QB ALA 28 far 0 99 0 - 8.3-20.4 H LEU 103 - QB ALA 15 far 0 100 0 - 9.1-37.3 Violated in 0 structures by 0.00 A. Peak 3522 from cnoeabs.peaks (8.08, 4.28, 52.35 ppm; 5.81 A): 6 out of 32 assignments used, quality = 1.00: * H ALA 109 + HA ALA 109 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 108 + HA ALA 109 OK 86 100 100 86 4.0-5.6 ~7564=27, ~7566=27...(29) H VAL 20 + HA ALA 21 OK 62 62 100 100 4.5-5.3 6175/3.0=80, ~6176=73...(8) H ALA 109 + HA ALA 110 OK 62 62 100 99 4.0-5.6 4.7/7570=51, ~7570=31...(39) H ALA 109 + HA ALA 108 OK 59 59 100 100 2.1-3.6 3.6=100 H ALA 108 + HA ALA 108 OK 59 59 100 100 2.3-2.9 3.0=100 H THR 25 - HA ALA 21 poor 19 62 30 - 3.6-10.6 H VAL 20 - HA ALA 15 poor 17 69 25 - 2.7-11.0 H ALA 108 - HA ALA 110 poor 9 62 45 32 5.2-9.1 4.6/7565=17, ~3529=4...(9) H LEU 103 - HA ALA 108 far 9 59 15 - 5.9-12.9 H VAL 20 - HA ALA 16 lone 5 69 45 17 3.9-10.3 4.0/11966=7, 6169/4.9=7 H VAL 20 - HA ALA 110 far 4 45 10 - 6.3-51.2 H ALA 109 - HA ALA 21 far 4 83 5 - 3.9-44.4 H ALA 108 - HA ALA 21 far 4 83 5 - 3.8-43.6 H VAL 20 - HA ALA 12 far 4 75 5 - 6.0-16.2 H THR 25 - HA ALA 108 far 2 42 5 - 6.0-36.4 H VAL 20 - HA ALA 108 far 2 42 5 - 6.4-47.9 H THR 25 - HA ALA 109 far 0 83 0 - 7.5-38.7 H THR 25 - HA ALA 15 far 0 69 0 - 8.0-21.1 H LEU 103 - HA ALA 110 far 0 62 0 - 8.1-17.1 H ALA 109 - HA ALA 15 far 0 90 0 - 8.5-51.9 H VAL 20 - HA ALA 109 far 0 83 0 - 8.5-50.1 H LEU 103 - HA ALA 109 far 0 100 0 - 8.5-13.1 H ALA 108 - HA ALA 15 far 0 90 0 - 8.6-51.0 H THR 25 - HA ALA 16 far 0 69 0 - 8.7-19.4 H ASN 120 - HA ALA 109 far 0 99 0 - 8.8-16.8 H LEU 103 - HA ALA 21 far 0 83 0 - 8.8-38.0 H ALA 109 - HA ALA 16 far 0 90 0 - 9.0-48.8 H THR 25 - HA ALA 12 far 0 75 0 - 9.0-21.6 H ASN 120 - HA ALA 110 far 0 61 0 - 9.1-18.9 H ALA 108 - HA ALA 16 far 0 90 0 - 9.4-47.8 H LEU 103 - HA ALA 15 far 0 90 0 - 9.8-45.4 Violated in 0 structures by 0.00 A. Peak 3523 from cnoeabs.peaks (4.28, 4.28, 52.35 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 109 + HA ALA 109 OK 100 100 - 100 HA ALA 12 + HA ALA 12 OK 92 92 - 100 HA ALA 16 + HA ALA 16 OK 90 90 - 100 HA ALA 15 + HA ALA 15 OK 87 87 - 100 HA ALA 21 + HA ALA 21 OK 74 74 - 100 HA ALA 110 + HA ALA 110 OK 60 60 - 100 HA ALA 108 + HA ALA 108 OK 59 59 - 100 Peak 3524 from cnoeabs.peaks (1.39, 4.28, 52.35 ppm; 2.50 A): 7 out of 80 assignments used, quality = 1.00: * QB ALA 109 + HA ALA 109 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 88 88 100 100 2.1-2.1 2.1=100 QB ALA 16 + HA ALA 16 OK 77 77 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 61 61 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 58 58 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 53 53 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 21 88 55 43 3.7-4.3 6124/3.0=16, ~6122=7...(8) QB ALA 110 - HA ALA 109 poor 16 99 35 47 3.8-5.0 2.9/7570=15, ~7571=5...(17) QB ALA 109 - HA ALA 110 poor 12 62 20 - 3.6-4.6 QB ALA 16 - HA ALA 15 far 11 76 15 - 4.0-5.0 QB ALA 108 - HA ALA 109 poor 11 100 45 25 3.6-4.9 7566/3.0=11, 2.9/7558=4...(6) QB ALA 16 - HA ALA 12 far 8 82 10 - 2.2-11.1 HG2 LYS 24 - HA ALA 21 far 8 79 10 - 2.3-10.7 QB ALA 109 - HA ALA 108 poor 8 59 50 27 3.7-4.9 ~7564=5, ~7566=5...(7) QB ALA 12 - HA ALA 16 far 7 49 15 - 2.9-10.8 HG2 LYS 19 - HA ALA 15 far 6 60 10 - 2.8-13.4 QB ALA 12 - HA ALA 15 far 5 48 10 - 3.5-8.6 QB ALA 110 - HA ALA 16 far 4 88 5 - 3.9-45.0 QB ALA 108 - HA ALA 21 far 4 82 5 - 3.3-36.5 QB ALA 108 - HA ALA 110 far 3 62 5 - 3.8-7.1 QB ALA 16 - HA ALA 110 far 3 51 5 - 3.4-42.4 QB ALA 12 - HA ALA 21 far 2 43 5 - 3.5-16.2 QB ALA 28 - HA ALA 21 far 0 82 0 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 94 0 - 4.2-9.3 QB ALA 16 - HA ALA 21 far 0 69 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 58 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 80 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 60 0 - 4.7-10.8 HG3 LYS 31 - HA ALA 15 far 0 90 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 57 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 83 0 - 5.2-38.2 HG2 LYS 19 - HA ALA 12 far 0 66 0 - 5.5-18.1 QB ALA 29 - HA ALA 108 far 0 56 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 94 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 55 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 99 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 55 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 89 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 90 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 86 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 89 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 87 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 81 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 39 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 61 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 100 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 98 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 54 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 88 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 80 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 95 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 81 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 87 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 90 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 56 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 90 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 87 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 60 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 61 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 80 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 59 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 73 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 87 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 86 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 92 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 99 0 - 8.0-45.2 HG3 LYS 31 - HA ALA 21 far 0 83 0 - 8.3-20.2 QB ALA 29 - HA ALA 109 far 0 99 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 48 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 57 0 - 8.7-42.9 QB ALA 108 - HA ALA 16 far 0 89 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 59 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 30 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 36 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 78 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 58 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 59 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 89 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 88 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 3525 from cnoeabs.peaks (8.30, 4.28, 52.35 ppm; 3.11 A): 6 out of 40 assignments used, quality = 1.00: * H ALA 110 + HA ALA 109 OK 85 100 100 85 2.1-3.6 3.6=66, 7571/2.1=29...(21) H ALA 21 + HA ALA 21 OK 80 80 100 100 2.3-2.9 3.0=100 H ALA 110 + HA ALA 110 OK 62 62 100 100 2.3-2.9 3.0=100 H GLY 17 + HA ALA 16 OK 59 71 100 83 2.1-3.0 3.6=66, 6127/3.0=34...(7) H GLY 111 + HA ALA 110 OK 56 62 100 90 2.5-3.6 3.6=66, 7578/2.1=34...(15) H GLY 111 + HA ALA 109 OK 42 100 75 56 3.0-6.7 7578/2.1=17, 4.5/7570=13...(13) H GLY 17 - HA ALA 15 poor 15 71 50 43 3.3-7.0 6127/3.6=29, 6130=9...(5) H GLY 111 - HA ALA 16 far 9 90 10 - 4.2-50.4 H ALA 110 - HA ALA 108 far 9 59 15 - 4.3-7.0 H ALA 28 - HA ALA 21 far 2 50 5 - 4.4-17.1 H ALA 21 - HA ALA 108 far 0 56 0 - 4.8-46.4 H ALA 28 - HA ALA 108 far 0 33 0 - 4.9-29.2 H GLY 17 - HA ALA 110 far 0 46 0 - 4.9-53.9 H GLY 17 - HA ALA 12 far 0 77 0 - 4.9-13.6 H GLY 17 - HA ALA 21 far 0 64 0 - 5.2-12.1 H ALA 21 - HA ALA 15 far 0 87 0 - 5.5-12.4 H GLU 40 - HA ALA 21 far 0 62 0 - 5.7-35.3 H ALA 21 - HA ALA 110 far 0 60 0 - 5.7-49.8 H ALA 110 - HA ALA 16 far 0 90 0 - 6.1-52.5 H ALA 110 - HA ALA 21 far 0 83 0 - 6.1-47.9 H GLY 111 - HA ALA 21 far 0 83 0 - 6.2-45.7 H ALA 21 - HA ALA 16 far 0 88 0 - 6.4-12.5 H GLY 111 - HA ALA 108 far 0 59 0 - 6.4-9.8 H ALA 21 - HA ALA 109 far 0 99 0 - 6.6-48.5 H GLY 111 - HA ALA 15 far 0 90 0 - 6.7-53.5 H ALA 21 - HA ALA 12 far 0 93 0 - 6.9-17.4 H SER 99 - HA ALA 108 far 0 55 0 - 7.0-18.0 H SER 99 - HA ALA 110 far 0 59 0 - 7.4-22.6 H LEU 69 - HA ALA 21 far 0 83 0 - 7.5-26.2 H ALA 28 - HA ALA 15 far 0 55 0 - 7.8-24.9 H GLY 17 - HA ALA 109 far 0 85 0 - 8.1-52.6 H ALA 28 - HA ALA 109 far 0 68 0 - 8.4-31.1 H GLY 17 - HA ALA 108 far 0 43 0 - 8.5-50.0 H LEU 49 - HA ALA 21 far 0 83 0 - 8.5-29.5 H ALA 28 - HA ALA 12 far 0 61 0 - 8.5-25.8 H LEU 69 - HA ALA 108 far 0 59 0 - 8.8-19.6 H SER 99 - HA ALA 21 far 0 79 0 - 8.9-38.3 H SER 99 - HA ALA 109 far 0 98 0 - 9.0-18.7 H ALA 110 - HA ALA 15 far 0 90 0 - 9.6-55.6 H ALA 28 - HA ALA 110 far 0 35 0 - 10.0-32.3 Violated in 0 structures by 0.00 A. Peak 3526 from cnoeabs.peaks (8.08, 1.39, 19.38 ppm; 4.36 A): 5 out of 37 assignments used, quality = 1.00: * H ALA 109 + QB ALA 109 OK 100 100 100 100 2.1-3.0 2.9=100 H ALA 108 + QB ALA 109 OK 88 100 100 88 3.5-5.7 7559/4.6=57, ~7564=15...(30) H ALA 109 + QB ALA 108 OK 88 88 100 100 1.9-3.5 3.7=100 H ALA 108 + QB ALA 108 OK 88 88 100 100 2.2-3.0 2.9=100 H ALA 109 + QB ALA 110 OK 78 85 100 92 3.3-5.8 4.7/7571=32, 7565/2.1=18...(28) H ALA 108 - QB ALA 110 poor 17 85 20 - 3.4-8.3 H VAL 20 - QB ALA 16 poor 14 32 45 - 4.8-9.7 H LEU 103 - QB ALA 108 far 13 88 15 - 5.3-10.7 H VAL 20 - QB ALA 15 far 9 59 15 - 3.5-10.2 H VAL 20 - QB ALA 28 far 8 53 15 - 5.5-17.5 H THR 25 - QB ALA 28 poor 7 53 50 27 3.0-10.1 3.0/11150=8, 6245/6253=8...(5) H ALA 108 - QB ALA 28 far 7 73 10 - 3.6-23.3 H ALA 108 - QB ALA 29 far 7 68 10 - 5.3-20.7 H THR 25 - QB ALA 108 far 7 67 10 - 5.8-29.4 H THR 25 - QB ALA 29 far 5 50 10 - 4.9-10.1 H LEU 103 - QB ALA 110 far 4 85 5 - 5.1-14.8 H THR 25 - QB ALA 109 far 4 83 5 - 5.3-31.0 H ASN 120 - QB ALA 110 far 4 83 5 - 5.7-16.5 H VAL 20 - QB ALA 110 far 3 64 5 - 5.0-43.2 H THR 25 - QB ALA 15 far 3 59 5 - 5.7-16.6 H ALA 109 - QB ALA 28 far 0 73 0 - 5.9-23.7 H ASN 120 - QB ALA 109 far 0 99 0 - 6.5-15.2 H VAL 20 - QB ALA 29 far 0 50 0 - 6.7-18.8 H ALA 109 - QB ALA 15 far 0 80 0 - 6.8-42.8 H LEU 103 - QB ALA 109 far 0 100 0 - 6.9-12.4 H VAL 20 - QB ALA 109 far 0 83 0 - 7.0-40.5 H VAL 20 - QB ALA 108 far 0 67 0 - 7.3-39.1 H THR 25 - QB ALA 16 far 0 32 0 - 7.3-16.6 H ASN 120 - QB ALA 108 far 0 86 0 - 7.4-16.5 H ALA 108 - QB ALA 15 far 0 79 0 - 7.5-42.0 H ALA 109 - QB ALA 16 far 0 46 0 - 7.7-39.2 H ALA 109 - QB ALA 29 far 0 68 0 - 7.7-21.1 H THR 25 - QB ALA 110 far 0 64 0 - 7.8-34.0 H LEU 103 - QB ALA 29 far 0 68 0 - 7.9-16.3 H ALA 108 - QB ALA 16 far 0 46 0 - 8.0-38.7 H LEU 103 - QB ALA 28 far 0 73 0 - 8.3-20.4 H LEU 103 - QB ALA 15 far 0 80 0 - 9.1-37.3 Violated in 0 structures by 0.00 A. Peak 3527 from cnoeabs.peaks (4.28, 1.39, 19.38 ppm; 2.66 A): 9 out of 110 assignments used, quality = 1.00: * HA ALA 109 + QB ALA 109 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 108 + QB ALA 108 OK 88 88 100 100 2.1-2.1 2.1=100 HA ALA 110 + QB ALA 110 OK 82 82 100 100 2.1-2.1 2.1=100 HA ALA 15 + QB ALA 15 OK 76 76 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 16 OK 46 46 100 100 2.1-2.1 2.1=100 HA ALA 110 + QB ALA 109 OK 32 99 60 54 3.6-4.6 3.0/7571=16, 3.6/7578=7...(16) HA ALA 16 + QB ALA 15 OK 29 80 75 49 3.7-4.3 3.0/6124=19, ~6122=9...(10) HA ALA 109 + QB ALA 110 OK 22 85 50 52 3.8-5.0 7570/2.9=17, ~7571=6...(17) HA ALA 108 + QB ALA 109 OK 21 100 70 30 3.7-4.9 ~7564=6, ~7566=6...(9) HA ALA 15 - QB ALA 16 poor 19 43 45 - 4.0-5.0 HA ALA 109 - QB ALA 108 poor 17 88 70 28 3.6-4.9 3.0/7566=13, 7558/2.9=4...(6) HA ALA 110 - QB ALA 108 far 13 86 15 - 3.8-7.1 HA THR 25 - QB ALA 28 poor 13 63 20 - 3.4-8.5 HA LYS 31 - QB ALA 15 far 12 80 15 - 1.9-22.8 HA ARG 23 - QB ALA 28 far 10 69 15 - 1.8-12.2 HB THR 115 - QB ALA 109 far 10 100 10 - 3.5-12.8 HA LYS 26 - QB ALA 28 far 7 69 10 - 3.8-7.4 HA GLN 61 - QB ALA 29 far 7 67 10 - 3.3-14.9 HA LYS 26 - QB ALA 109 far 5 99 5 - 4.0-28.9 HA ARG 23 - QB ALA 109 far 5 98 5 - 2.2-33.4 HA ALA 12 - QB ALA 16 far 4 43 10 - 2.2-11.1 HA ALA 16 - QB ALA 110 far 4 85 5 - 3.9-45.0 HA LEU 22 - QB ALA 108 far 4 84 5 - 3.4-34.1 HA LYS 26 - QB ALA 110 far 4 81 5 - 3.4-31.5 HA ALA 21 - QB ALA 108 far 4 79 5 - 3.3-36.5 HA LYS 19 - QB ALA 15 far 4 74 5 - 3.6-11.2 HA LEU 22 - QB ALA 28 far 3 69 5 - 2.0-15.4 HA THR 18 - QB ALA 15 far 3 68 5 - 3.8-9.2 HA ALA 21 - QB ALA 28 far 3 64 5 - 4.1-16.3 HA ALA 110 - QB ALA 16 far 2 44 5 - 3.4-42.4 HA THR 25 - QB ALA 29 far 0 59 0 - 4.2-10.8 HA ALA 12 - QB ALA 15 far 0 76 0 - 4.2-9.3 HA THR 18 - QB ALA 28 far 0 61 0 - 4.2-20.7 HA GLN 61 - QB ALA 108 far 0 87 0 - 4.2-16.5 HA ALA 21 - QB ALA 16 far 0 40 0 - 4.4-13.2 HA ALA 108 - QB ALA 28 far 0 73 0 - 4.4-24.8 HA THR 18 - QB ALA 110 far 0 73 0 - 4.4-44.9 HB THR 115 - QB ALA 110 far 0 84 0 - 4.5-11.4 HA LYS 31 - QB ALA 16 far 0 46 0 - 4.5-22.4 HA GLN 61 - QB ALA 28 far 0 72 0 - 4.5-19.9 HA THR 18 - QB ALA 16 far 0 38 0 - 4.7-7.3 HA LYS 26 - QB ALA 29 far 0 65 0 - 5.0-9.8 HA SER 74 - QB ALA 29 far 0 59 0 - 5.1-17.1 HA ALA 108 - QB ALA 110 far 0 85 0 - 5.2-7.7 HA ALA 21 - QB ALA 109 far 0 95 0 - 5.2-38.2 HA LYS 26 - QB ALA 108 far 0 85 0 - 5.2-27.3 HA ARG 23 - QB ALA 110 far 0 80 0 - 5.2-36.2 HA LYS 19 - QB ALA 28 far 0 68 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 73 0 - 5.5-7.8 HA ARG 23 - QB ALA 108 far 0 84 0 - 5.5-32.0 HA LYS 36 - QB ALA 29 far 0 68 0 - 5.6-13.8 HA LYS 26 - QB ALA 15 far 0 76 0 - 5.6-18.8 HA LYS 19 - QB ALA 16 far 0 42 0 - 5.7-9.7 HA ALA 108 - QB ALA 29 far 0 68 0 - 5.7-22.1 HA ALA 12 - QB ALA 28 far 0 69 0 - 5.7-22.6 HA THR 25 - QB ALA 109 far 0 93 0 - 5.8-29.6 HA ARG 23 - QB ALA 29 far 0 64 0 - 5.9-12.4 HA LEU 22 - QB ALA 109 far 0 98 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 68 0 - 6.1-7.3 HA ARG 23 - QB ALA 15 far 0 75 0 - 6.2-16.4 HA ALA 15 - QB ALA 28 far 0 69 0 - 6.2-22.3 HA ALA 16 - QB ALA 109 far 0 100 0 - 6.2-42.1 HA LYS 36 - QB ALA 16 far 0 46 0 - 6.4-29.0 HA ALA 16 - QB ALA 28 far 0 73 0 - 6.4-21.8 HA GLN 61 - QB ALA 109 far 0 100 0 - 6.4-17.7 HA GLN 61 - QB ALA 110 far 0 84 0 - 6.5-19.5 HA ALA 21 - QB ALA 110 far 0 76 0 - 6.5-41.1 HA SER 74 - QB ALA 28 far 0 63 0 - 6.6-22.0 HA ALA 110 - QB ALA 15 far 0 77 0 - 6.6-46.6 HA ALA 109 - QB ALA 28 far 0 73 0 - 6.7-26.0 HA LYS 19 - QB ALA 110 far 0 79 0 - 6.8-43.3 HA THR 25 - QB ALA 108 far 0 78 0 - 6.8-27.8 HA LYS 26 - QB ALA 16 far 0 43 0 - 6.9-18.9 HA LEU 22 - QB ALA 29 far 0 64 0 - 7.0-15.2 HA THR 18 - QB ALA 109 far 0 92 0 - 7.0-41.9 HA THR 25 - QB ALA 110 far 0 74 0 - 7.1-32.7 HA ALA 15 - QB ALA 110 far 0 81 0 - 7.1-47.6 HA ALA 21 - QB ALA 29 far 0 60 0 - 7.1-16.4 HA LEU 22 - QB ALA 110 far 0 80 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 75 0 - 7.3-14.9 HA ALA 21 - QB ALA 15 far 0 71 0 - 7.3-13.0 HB THR 115 - QB ALA 108 far 0 88 0 - 7.4-14.5 HA ALA 15 - QB ALA 29 far 0 65 0 - 7.4-22.4 HA ALA 109 - QB ALA 16 far 0 46 0 - 7.5-41.2 HA ALA 15 - QB ALA 109 far 0 99 0 - 7.5-44.5 HA LYS 31 - QB ALA 108 far 0 88 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 97 0 - 7.8-40.6 HA ALA 110 - QB ALA 28 far 0 70 0 - 7.8-26.6 HA ARG 23 - QB ALA 16 far 0 43 0 - 7.8-14.6 HA THR 25 - QB ALA 15 far 0 69 0 - 7.8-18.5 HA THR 25 - QB ALA 16 far 0 39 0 - 7.9-18.9 HA LYS 19 - QB ALA 29 far 0 63 0 - 8.0-19.1 HA LEU 22 - QB ALA 16 far 0 43 0 - 8.0-13.8 HA ALA 109 - QB ALA 15 far 0 80 0 - 8.0-45.2 HA GLN 61 - QB ALA 15 far 0 79 0 - 8.1-30.8 HA THR 18 - QB ALA 29 far 0 57 0 - 8.1-20.6 HB THR 115 - QB ALA 16 far 0 45 0 - 8.2-40.0 HA THR 18 - QB ALA 108 far 0 76 0 - 8.4-40.4 HA LYS 36 - QB ALA 28 far 0 73 0 - 8.4-17.1 HA LYS 19 - QB ALA 108 far 0 83 0 - 8.5-39.5 HA LYS 36 - QB ALA 15 far 0 79 0 - 8.6-28.8 HA ALA 109 - QB ALA 29 far 0 68 0 - 8.6-23.4 HA ALA 108 - QB ALA 16 far 0 46 0 - 8.7-39.9 HA ALA 108 - QB ALA 15 far 0 80 0 - 8.7-42.9 HB THR 115 - QB ALA 15 far 0 79 0 - 9.0-43.9 HA ALA 16 - QB ALA 108 far 0 88 0 - 9.1-40.0 HA ALA 110 - QB ALA 29 far 0 66 0 - 9.1-24.9 HA GLN 61 - QB ALA 16 far 0 45 0 - 9.1-27.3 HA LYS 31 - QB ALA 109 far 0 100 0 - 9.1-27.0 HA ALA 15 - QB ALA 108 far 0 85 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 3528 from cnoeabs.peaks (1.39, 1.39, 19.38 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * QB ALA 109 + QB ALA 109 OK 100 100 - 100 QB ALA 108 + QB ALA 108 OK 87 87 - 100 QB ALA 110 + QB ALA 110 OK 83 83 - 100 QB ALA 15 + QB ALA 15 OK 78 78 - 100 QB ALA 28 + QB ALA 28 OK 72 72 - 100 QB ALA 29 + QB ALA 29 OK 65 65 - 100 QB ALA 16 + QB ALA 16 OK 37 37 - 100 Peak 3529 from cnoeabs.peaks (8.30, 1.39, 19.38 ppm; 6.80 A): 11 out of 61 assignments used, quality = 1.00: * H ALA 110 + QB ALA 109 OK 100 100 100 100 1.8-3.7 3.7=100 H GLY 111 + QB ALA 109 OK 98 100 100 98 2.2-5.6 7578/4.7=50...(12) H ALA 110 + QB ALA 110 OK 85 85 100 100 2.0-3.0 2.9=100 H GLY 111 + QB ALA 110 OK 85 85 100 100 1.8-3.3 3.7=100 H ALA 110 + QB ALA 108 OK 63 88 100 72 2.6-6.2 7571/4.6=42, 4.7/7566=40...(7) H GLY 17 + QB ALA 15 OK 56 61 100 92 2.3-6.4 6127/3.7=84, 7578/4.7=16...(8) H GLY 111 + QB ALA 108 OK 44 88 95 52 5.0-8.8 7567/3.7=32, 7578/4.6=25 H ALA 28 + QB ALA 28 OK 42 42 100 100 2.1-3.0 2.9=100 H ALA 28 + QB ALA 29 OK 39 39 100 100 4.3-5.3 6304/4.7=55, 4.6/6309=45...(19) H GLY 17 + QB ALA 16 OK 33 33 100 100 1.9-3.7 3.7=100 H ALA 21 + QB ALA 16 OK 20 44 65 71 5.6-11.3 6177/10683=67...(4) H TYR 72 - QB ALA 29 poor 19 48 40 - 5.9-12.6 H ALA 21 - QB ALA 28 poor 18 70 25 - 4.8-16.8 H LEU 69 - QB ALA 29 poor 17 68 75 34 3.3-9.0 11056/10739=16...(5) H ALA 28 - QB ALA 108 poor 13 54 25 - 4.8-23.5 H LEU 69 - QB ALA 108 far 13 88 15 - 6.8-15.4 H GLY 111 - QB ALA 15 far 12 79 15 - 4.8-44.2 H ALA 21 - QB ALA 109 far 10 99 10 - 6.9-39.2 H GLY 17 - QB ALA 110 far 10 66 15 - 5.3-45.6 H SER 99 - QB ALA 109 far 10 98 10 - 7.4-16.4 H LEU 43 - QB ALA 29 far 9 60 15 - 6.9-16.5 H ALA 21 - QB ALA 108 far 9 86 10 - 5.7-37.8 H GLY 17 - QB ALA 109 far 8 85 10 - 6.8-42.7 H GLY 17 - QB ALA 28 far 8 55 15 - 6.7-21.7 H ALA 21 - QB ALA 110 far 8 82 10 - 6.5-42.0 H SER 99 - QB ALA 110 far 8 80 10 - 4.8-19.5 H ALA 110 - QB ALA 15 far 8 80 10 - 7.0-45.9 H ALA 28 - QB ALA 110 far 8 51 15 - 7.0-27.3 H GLY 111 - QB ALA 16 far 7 46 15 - 2.3-40.1 H LEU 49 - QB ALA 29 lone 5 68 55 12 2.6-14.9 4.6/10790=4...(4) H ALA 110 - QB ALA 16 far 5 46 10 - 5.2-41.9 H ALA 110 - QB ALA 28 far 4 73 5 - 7.2-26.1 H LEU 69 - QB ALA 28 far 4 73 5 - 8.2-14.0 H ALA 28 - QB ALA 109 far 3 68 5 - 7.9-25.5 H ALA 21 - QB ALA 29 far 3 66 5 - 7.9-17.3 H SER 99 - QB ALA 29 far 3 64 5 - 8.2-16.9 H LEU 96 - QB ALA 108 far 3 54 5 - 7.8-18.4 H LEU 96 - QB ALA 110 far 3 51 5 - 8.3-21.3 H ALA 28 - QB ALA 15 far 2 47 5 - 8.0-20.8 H LEU 96 - QB ALA 29 far 2 39 5 - 7.6-17.2 H GLU 40 - QB ALA 16 far 2 32 5 - 7.6-30.5 H SER 99 - QB ALA 108 lone 1 84 30 6 4.0-15.3 11534/10264=2 H ALA 21 - QB ALA 15 lone 1 77 35 3 5.6-11.2 H LEU 49 - QB ALA 28 lone 1 73 35 3 6.3-18.1 H GLU 40 - QB ALA 15 far 0 59 0 - 8.3-33.4 H LEU 96 - QB ALA 28 far 0 42 0 - 8.4-19.5 H LEU 43 - QB ALA 16 far 0 40 0 - 8.6-29.0 H GLY 111 - QB ALA 28 far 0 73 0 - 8.6-26.2 H VAL 126 - QB ALA 110 far 0 79 0 - 8.7-19.9 H GLY 17 - QB ALA 108 far 0 69 0 - 9.0-40.9 H TYR 72 - QB ALA 108 far 0 65 0 - 9.0-17.4 H LEU 43 - QB ALA 15 far 0 71 0 - 9.0-31.4 H LEU 43 - QB ALA 28 far 0 64 0 - 9.0-19.0 H ALA 28 - QB ALA 16 far 0 25 0 - 9.3-19.0 H LEU 49 - QB ALA 108 far 0 88 0 - 9.4-18.2 H ALA 110 - QB ALA 29 far 0 68 0 - 9.4-24.0 H GLU 40 - QB ALA 29 far 0 50 0 - 9.5-17.6 H LEU 69 - QB ALA 109 far 0 100 0 - 9.5-17.9 H SER 99 - QB ALA 28 far 0 69 0 - 9.5-19.9 H GLY 17 - QB ALA 29 far 0 51 0 - 9.5-21.0 H GLY 111 - QB ALA 29 far 0 68 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 3530 from cnoeabs.peaks (8.30, 4.28, 52.70 ppm; 3.52 A): 6 out of 40 assignments used, quality = 1.00: * H ALA 110 + HA ALA 110 OK 100 100 100 100 2.3-2.9 3.0=100 H GLY 111 + HA ALA 110 OK 99 100 100 99 2.5-3.6 3.6=96, 7578/2.1=40...(16) H ALA 21 + HA ALA 21 OK 71 71 100 100 2.3-2.9 3.0=100 H GLY 17 + HA ALA 16 OK 71 72 100 99 2.1-3.0 3.6=96, 6127/3.0=44...(7) H ALA 110 + HA ALA 109 OK 62 62 100 99 2.1-3.6 3.6=96, 7571/2.1=35...(25) H GLY 111 + HA ALA 109 OK 32 62 80 64 3.0-6.7 7578/2.1=20, 4.5/7572=17...(13) H GLY 17 - HA ALA 15 poor 19 73 50 52 3.3-7.0 6127/3.6=38, 6130=9...(6) H GLY 111 - HA ALA 16 far 9 91 10 - 4.2-50.4 H ALA 21 - HA ALA 108 far 5 94 5 - 4.8-46.4 H GLY 17 - HA ALA 110 far 4 85 5 - 4.9-53.9 H ALA 28 - HA ALA 108 far 3 62 5 - 4.9-29.2 H GLY 17 - HA ALA 12 far 3 57 5 - 4.9-13.6 H ALA 28 - HA ALA 21 far 2 43 5 - 4.4-17.1 H ALA 110 - HA ALA 108 lone 1 97 25 5 4.3-7.0 7573/2.1=3, 3.7/3527=2 H GLY 17 - HA ALA 21 far 0 56 0 - 5.2-12.1 H ALA 21 - HA ALA 15 far 0 89 0 - 5.5-12.4 H GLU 40 - HA ALA 21 far 0 54 0 - 5.7-35.3 H ALA 21 - HA ALA 110 far 0 99 0 - 5.7-49.8 H ALA 110 - HA ALA 16 far 0 91 0 - 6.1-52.5 H ALA 110 - HA ALA 21 far 0 74 0 - 6.1-47.9 H GLY 111 - HA ALA 21 far 0 73 0 - 6.2-45.7 H ALA 21 - HA ALA 16 far 0 88 0 - 6.4-12.5 H GLY 111 - HA ALA 108 far 0 96 0 - 6.4-9.8 H ALA 21 - HA ALA 109 far 0 60 0 - 6.6-48.5 H GLY 111 - HA ALA 15 far 0 91 0 - 6.7-53.5 H ALA 21 - HA ALA 12 far 0 72 0 - 6.9-17.4 H SER 99 - HA ALA 108 far 0 93 0 - 7.0-18.0 H SER 99 - HA ALA 110 far 0 98 0 - 7.4-22.6 H LEU 69 - HA ALA 21 far 0 73 0 - 7.5-26.2 H ALA 28 - HA ALA 15 far 0 57 0 - 7.8-24.9 H GLY 17 - HA ALA 109 far 0 46 0 - 8.1-52.6 H ALA 28 - HA ALA 109 far 0 35 0 - 8.4-31.1 H GLY 17 - HA ALA 108 far 0 78 0 - 8.5-50.0 H LEU 49 - HA ALA 21 far 0 73 0 - 8.5-29.5 H ALA 28 - HA ALA 12 far 0 44 0 - 8.5-25.8 H LEU 69 - HA ALA 108 far 0 96 0 - 8.8-19.6 H SER 99 - HA ALA 21 far 0 69 0 - 8.9-38.3 H SER 99 - HA ALA 109 far 0 59 0 - 9.0-18.7 H ALA 110 - HA ALA 15 far 0 92 0 - 9.6-55.6 H ALA 28 - HA ALA 110 far 0 68 0 - 10.0-32.3 Violated in 0 structures by 0.00 A. Peak 3531 from cnoeabs.peaks (4.28, 4.28, 52.70 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 110 + HA ALA 110 OK 100 100 - 100 HA ALA 108 + HA ALA 108 OK 94 94 - 100 HA ALA 15 + HA ALA 15 OK 92 92 - 100 HA ALA 16 + HA ALA 16 OK 88 88 - 100 HA ALA 12 + HA ALA 12 OK 75 75 - 100 HA ALA 21 + HA ALA 21 OK 72 72 - 100 HA ALA 109 + HA ALA 109 OK 60 60 - 100 Peak 3532 from cnoeabs.peaks (1.38, 4.28, 52.70 ppm; 2.50 A): 7 out of 80 assignments used, quality = 1.00: * QB ALA 110 + HA ALA 110 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 96 96 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 92 92 100 100 2.1-2.1 2.1=100 QB ALA 16 + HA ALA 16 OK 65 65 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 61 61 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 50 50 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 22 91 55 44 3.7-4.3 6124/3.0=16, ~6122=7...(9) QB ALA 109 - HA ALA 110 poor 20 99 20 - 3.6-4.6 QB ALA 109 - HA ALA 108 poor 13 95 50 27 3.7-4.9 ~7564=5, ~7566=5...(7) QB ALA 110 - HA ALA 109 poor 10 62 35 46 3.8-5.0 2.9/7572=15, ~7571=5...(17) QB ALA 16 - HA ALA 15 far 10 66 15 - 4.0-5.0 QB ALA 12 - HA ALA 16 far 9 63 15 - 2.9-10.8 HG2 LYS 19 - HA ALA 15 far 7 74 10 - 2.8-13.4 HG2 LYS 24 - HA ALA 21 far 7 73 10 - 2.3-10.7 QB ALA 108 - HA ALA 109 poor 7 62 45 25 3.6-4.9 7564/3.0=11, 2.9/7558=4...(6) QB ALA 12 - HA ALA 15 far 6 64 10 - 3.5-8.6 QB ALA 16 - HA ALA 12 far 5 51 10 - 2.2-11.1 QB ALA 108 - HA ALA 110 far 5 100 5 - 3.8-7.1 QB ALA 110 - HA ALA 16 far 5 91 5 - 3.9-45.0 QB ALA 16 - HA ALA 110 far 4 78 5 - 3.4-42.4 QB ALA 108 - HA ALA 21 far 4 73 5 - 3.3-36.5 QB ALA 12 - HA ALA 21 far 2 49 5 - 3.5-16.2 QB ALA 28 - HA ALA 21 far 0 74 0 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 75 0 - 4.2-9.3 QB ALA 16 - HA ALA 21 far 0 50 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 97 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 73 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 74 0 - 4.7-10.8 HG3 LYS 31 - HA ALA 15 far 0 88 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 88 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 97 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 72 0 - 5.2-38.2 HG2 LYS 19 - HA ALA 12 far 0 59 0 - 5.5-18.1 QB ALA 29 - HA ALA 108 far 0 96 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 75 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 96 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 62 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 96 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 92 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 89 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 91 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 91 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 91 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 74 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 87 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 100 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 62 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 62 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 57 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 92 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 73 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 72 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 74 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 91 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 42 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 97 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 90 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 92 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 100 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 100 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 74 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 94 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 48 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 91 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 90 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 74 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 62 0 - 8.0-45.2 HG3 LYS 31 - HA ALA 21 far 0 70 0 - 8.3-20.2 QB ALA 29 - HA ALA 109 far 0 62 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 72 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 97 0 - 8.7-42.9 QB ALA 108 - HA ALA 16 far 0 91 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 100 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 76 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 80 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 73 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 96 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 100 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 91 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 91 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 3533 from cnoeabs.peaks (8.30, 4.28, 52.70 ppm; 3.53 A): 7 out of 40 assignments used, quality = 1.00: H ALA 110 + HA ALA 110 OK 100 100 100 100 2.3-2.9 3.0=100 * H GLY 111 + HA ALA 110 OK 99 100 100 99 2.5-3.6 3.6=97, 7578/2.1=40...(16) H GLY 17 + HA ALA 16 OK 75 76 100 99 2.1-3.0 3.6=97, 6127/3.0=46...(7) H ALA 21 + HA ALA 21 OK 72 72 100 100 2.3-2.9 3.0=100 H ALA 110 + HA ALA 109 OK 61 62 100 99 2.1-3.6 3.6=97, 7571/2.1=35...(25) H GLY 111 + HA ALA 109 OK 32 62 80 64 3.0-6.7 7578/2.1=20, 4.5/7572=17...(13) H GLY 17 + HA ALA 15 OK 21 76 50 54 3.3-7.0 6127/3.6=39, 6130=10...(6) H GLY 111 - HA ALA 16 far 9 91 10 - 4.2-50.4 H ALA 21 - HA ALA 108 far 5 96 5 - 4.8-46.4 H GLY 17 - HA ALA 110 far 4 89 5 - 4.9-53.9 H ALA 28 - HA ALA 108 far 3 67 5 - 4.9-29.2 H GLY 17 - HA ALA 12 far 3 60 5 - 4.9-13.6 H ALA 28 - HA ALA 21 far 2 47 5 - 4.4-17.1 H ALA 110 - HA ALA 108 lone 1 96 25 5 4.3-7.0 7573/2.1=3, 3.7/3527=2 H GLY 17 - HA ALA 21 far 0 59 0 - 5.2-12.1 H ALA 21 - HA ALA 15 far 0 90 0 - 5.5-12.4 H GLU 40 - HA ALA 21 far 0 50 0 - 5.7-35.3 H ALA 21 - HA ALA 110 far 0 100 0 - 5.7-49.8 H ALA 110 - HA ALA 16 far 0 91 0 - 6.1-52.5 H ALA 110 - HA ALA 21 far 0 73 0 - 6.1-47.9 H GLY 111 - HA ALA 21 far 0 74 0 - 6.2-45.7 H ALA 21 - HA ALA 16 far 0 90 0 - 6.4-12.5 H GLY 111 - HA ALA 108 far 0 97 0 - 6.4-9.8 H ALA 21 - HA ALA 109 far 0 61 0 - 6.6-48.5 H GLY 111 - HA ALA 15 far 0 92 0 - 6.7-53.5 H ALA 21 - HA ALA 12 far 0 74 0 - 6.9-17.4 H SER 99 - HA ALA 108 far 0 91 0 - 7.0-18.0 H SER 99 - HA ALA 110 far 0 97 0 - 7.4-22.6 H LEU 69 - HA ALA 21 far 0 73 0 - 7.5-26.2 H ALA 28 - HA ALA 15 far 0 62 0 - 7.8-24.9 H GLY 17 - HA ALA 109 far 0 49 0 - 8.1-52.6 H ALA 28 - HA ALA 109 far 0 39 0 - 8.4-31.1 H GLY 17 - HA ALA 108 far 0 82 0 - 8.5-50.0 H LEU 49 - HA ALA 21 far 0 74 0 - 8.5-29.5 H ALA 28 - HA ALA 12 far 0 48 0 - 8.5-25.8 H LEU 69 - HA ALA 108 far 0 96 0 - 8.8-19.6 H SER 99 - HA ALA 21 far 0 67 0 - 8.9-38.3 H SER 99 - HA ALA 109 far 0 57 0 - 9.0-18.7 H ALA 110 - HA ALA 15 far 0 91 0 - 9.6-55.6 H ALA 28 - HA ALA 110 far 0 73 0 - 10.0-32.3 Violated in 0 structures by 0.00 A. Peak 3534 from cnoeabs.peaks (8.30, 1.38, 19.16 ppm; 3.09 A): 6 out of 54 assignments used, quality = 1.00: * H ALA 110 + QB ALA 110 OK 100 100 100 100 2.0-3.0 2.9=100 H GLY 111 + QB ALA 110 OK 91 100 100 91 1.8-3.3 3.7=58, 7577/2.1=45...(13) H ALA 110 + QB ALA 109 OK 73 85 100 86 1.8-3.7 3.7=58, 7570/2.1=30...(18) H ALA 28 + QB ALA 28 OK 66 66 100 100 2.1-3.0 2.9=100 H GLY 111 + QB ALA 109 OK 46 85 80 68 2.2-5.6 7578=25, 7578/4.7=13...(10) H GLY 17 + QB ALA 15 OK 27 85 70 46 2.3-6.4 6127/3.7=27, 7578=7...(7) H ALA 28 - QB ALA 29 poor 17 66 40 66 4.3-5.3 6304/4.7=15, 4.6/6311=13...(18) H ALA 110 - QB ALA 108 poor 9 100 35 25 2.6-6.2 7571/4.6=12, 4.7/7564=10...(4) H LEU 69 - QB ALA 29 far 5 99 5 - 3.3-9.0 H SER 99 - QB ALA 108 far 5 98 5 - 4.0-15.3 H LEU 49 - QB ALA 29 lone 1 99 25 5 2.6-14.9 4.6/10790=2 H GLY 111 - QB ALA 15 far 0 100 0 - 4.8-44.2 H ALA 21 - QB ALA 28 far 0 98 0 - 4.8-16.8 H SER 99 - QB ALA 110 far 0 98 0 - 4.8-19.5 H ALA 28 - QB ALA 108 far 0 68 0 - 4.8-23.5 H GLY 111 - QB ALA 108 far 0 100 0 - 5.0-8.8 H GLY 17 - QB ALA 110 far 0 85 0 - 5.3-45.6 H ALA 21 - QB ALA 15 far 0 99 0 - 5.6-11.2 H ALA 21 - QB ALA 108 far 0 99 0 - 5.7-37.8 H TYR 72 - QB ALA 29 far 0 78 0 - 5.9-12.6 H LEU 49 - QB ALA 28 far 0 99 0 - 6.3-18.1 H ALA 21 - QB ALA 110 far 0 99 0 - 6.5-42.0 H GLY 17 - QB ALA 28 far 0 83 0 - 6.7-21.7 H GLY 17 - QB ALA 109 far 0 66 0 - 6.8-42.7 H LEU 69 - QB ALA 108 far 0 100 0 - 6.8-15.4 H ALA 21 - QB ALA 109 far 0 82 0 - 6.9-39.2 H LEU 43 - QB ALA 29 far 0 92 0 - 6.9-16.5 H ALA 110 - QB ALA 15 far 0 100 0 - 7.0-45.9 H ALA 28 - QB ALA 110 far 0 68 0 - 7.0-27.3 H ALA 110 - QB ALA 28 far 0 99 0 - 7.2-26.1 H SER 99 - QB ALA 109 far 0 80 0 - 7.4-16.4 H LEU 96 - QB ALA 29 far 0 66 0 - 7.6-17.2 H LEU 96 - QB ALA 108 far 0 68 0 - 7.8-18.4 H ALA 28 - QB ALA 109 far 0 51 0 - 7.9-25.5 H ALA 21 - QB ALA 29 far 0 98 0 - 7.9-17.3 H ALA 28 - QB ALA 15 far 0 68 0 - 8.0-20.8 H LEU 69 - QB ALA 28 far 0 99 0 - 8.2-14.0 H SER 99 - QB ALA 29 far 0 96 0 - 8.2-16.9 H LEU 96 - QB ALA 110 far 0 68 0 - 8.3-21.3 H GLU 40 - QB ALA 15 far 0 82 0 - 8.3-33.4 H LEU 96 - QB ALA 28 far 0 66 0 - 8.4-19.5 H GLY 111 - QB ALA 28 far 0 99 0 - 8.6-26.2 H VAL 126 - QB ALA 110 far 0 97 0 - 8.7-19.9 H GLY 17 - QB ALA 108 far 0 84 0 - 9.0-40.9 H TYR 72 - QB ALA 108 far 0 80 0 - 9.0-17.4 H LEU 43 - QB ALA 15 far 0 94 0 - 9.0-31.4 H LEU 43 - QB ALA 28 far 0 93 0 - 9.0-19.0 H LEU 49 - QB ALA 108 far 0 100 0 - 9.4-18.2 H ALA 110 - QB ALA 29 far 0 99 0 - 9.4-24.0 H GLU 40 - QB ALA 29 far 0 80 0 - 9.5-17.6 H LEU 69 - QB ALA 109 far 0 85 0 - 9.5-17.9 H SER 99 - QB ALA 28 far 0 97 0 - 9.5-19.9 H GLY 17 - QB ALA 29 far 0 82 0 - 9.5-21.0 H GLY 111 - QB ALA 29 far 0 99 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (4.28, 1.38, 19.16 ppm; 2.50 A): 5 out of 95 assignments used, quality = 1.00: * HA ALA 110 + QB ALA 110 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 15 + QB ALA 15 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 108 + QB ALA 108 OK 99 99 100 100 2.1-2.1 2.1=100 HA ALA 109 + QB ALA 109 OK 82 82 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 15 OK 23 98 55 43 3.7-4.3 3.0/6124=16, ~6122=7...(9) HA ALA 110 - QB ALA 109 poor 17 85 20 - 3.6-4.6 HA ALA 109 - QB ALA 110 poor 16 99 35 46 3.8-5.0 7570/2.9=15...(15) HA ARG 23 - QB ALA 28 far 15 99 15 - 1.8-12.2 HA LYS 31 - QB ALA 15 far 15 99 15 - 1.9-22.8 HA THR 25 - QB ALA 28 far 15 98 15 - 3.4-8.5 HA ALA 109 - QB ALA 108 poor 11 99 45 25 3.6-4.9 3.0/7564=11, 7558/2.9=4...(6) HA ALA 108 - QB ALA 109 poor 11 82 50 26 3.7-4.9 ~7564=5, ~7566=5...(7) HA GLN 61 - QB ALA 29 far 10 99 10 - 3.3-14.9 HA LYS 26 - QB ALA 28 far 9 90 10 - 3.8-7.4 HB THR 115 - QB ALA 109 far 8 79 10 - 3.5-12.8 HA ALA 110 - QB ALA 108 far 5 100 5 - 3.8-7.1 HA ALA 21 - QB ALA 108 far 5 99 5 - 3.3-36.5 HA ALA 16 - QB ALA 110 far 5 99 5 - 3.9-45.0 HA THR 18 - QB ALA 15 far 5 98 5 - 3.8-9.2 HA LYS 26 - QB ALA 110 far 5 92 5 - 3.4-31.5 HA LEU 22 - QB ALA 108 far 4 90 5 - 3.4-34.1 HA LEU 22 - QB ALA 28 far 4 88 5 - 2.0-15.4 HA LYS 19 - QB ALA 15 far 4 88 5 - 3.6-11.2 HA ARG 23 - QB ALA 109 far 4 85 5 - 2.2-33.4 HA LYS 26 - QB ALA 109 far 0 73 0 - 4.0-28.9 HA ALA 21 - QB ALA 28 far 0 98 0 - 4.1-16.3 HA THR 25 - QB ALA 29 far 0 98 0 - 4.2-10.8 HA ALA 12 - QB ALA 15 far 0 100 0 - 4.2-9.3 HA THR 18 - QB ALA 28 far 0 97 0 - 4.2-20.7 HA GLN 61 - QB ALA 108 far 0 100 0 - 4.2-16.5 HA ALA 108 - QB ALA 28 far 0 98 0 - 4.4-24.8 HA THR 18 - QB ALA 110 far 0 99 0 - 4.4-44.9 HB THR 115 - QB ALA 110 far 0 97 0 - 4.5-11.4 HA GLN 61 - QB ALA 28 far 0 99 0 - 4.5-19.9 HA LYS 26 - QB ALA 29 far 0 90 0 - 5.0-9.8 HA SER 74 - QB ALA 29 far 0 98 0 - 5.1-17.1 HA ALA 108 - QB ALA 110 far 0 99 0 - 5.2-7.7 HA ALA 21 - QB ALA 109 far 0 83 0 - 5.2-38.2 HA LYS 26 - QB ALA 108 far 0 91 0 - 5.2-27.3 HA ARG 23 - QB ALA 110 far 0 100 0 - 5.2-36.2 HA LYS 19 - QB ALA 28 far 0 87 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 98 0 - 5.5-7.8 HA ARG 23 - QB ALA 108 far 0 100 0 - 5.5-32.0 HA LYS 36 - QB ALA 29 far 0 96 0 - 5.6-13.8 HA LYS 26 - QB ALA 15 far 0 92 0 - 5.6-18.8 HA ALA 108 - QB ALA 29 far 0 98 0 - 5.7-22.1 HA ALA 12 - QB ALA 28 far 0 99 0 - 5.7-22.6 HA THR 25 - QB ALA 109 far 0 82 0 - 5.8-29.6 HA ARG 23 - QB ALA 29 far 0 99 0 - 5.9-12.4 HA LEU 22 - QB ALA 109 far 0 71 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 98 0 - 6.1-7.3 HA ARG 23 - QB ALA 15 far 0 100 0 - 6.2-16.4 HA ALA 15 - QB ALA 28 far 0 99 0 - 6.2-22.3 HA ALA 16 - QB ALA 109 far 0 81 0 - 6.2-42.1 HA ALA 16 - QB ALA 28 far 0 97 0 - 6.4-21.8 HA GLN 61 - QB ALA 109 far 0 84 0 - 6.4-17.7 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.5-19.5 HA ALA 21 - QB ALA 110 far 0 99 0 - 6.5-41.1 HA SER 74 - QB ALA 28 far 0 98 0 - 6.6-22.0 HA ALA 110 - QB ALA 15 far 0 100 0 - 6.6-46.6 HA ALA 109 - QB ALA 28 far 0 98 0 - 6.7-26.0 HA LYS 19 - QB ALA 110 far 0 89 0 - 6.8-43.3 HA THR 25 - QB ALA 108 far 0 99 0 - 6.8-27.8 HA LEU 22 - QB ALA 29 far 0 88 0 - 7.0-15.2 HA THR 18 - QB ALA 109 far 0 81 0 - 7.0-41.9 HA THR 25 - QB ALA 110 far 0 99 0 - 7.1-32.7 HA ALA 15 - QB ALA 110 far 0 100 0 - 7.1-47.6 HA ALA 21 - QB ALA 29 far 0 98 0 - 7.1-16.4 HA LEU 22 - QB ALA 110 far 0 90 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 90 0 - 7.3-14.9 HA ALA 21 - QB ALA 15 far 0 99 0 - 7.3-13.0 HB THR 115 - QB ALA 108 far 0 97 0 - 7.4-14.5 HA ALA 15 - QB ALA 29 far 0 99 0 - 7.4-22.4 HA ALA 15 - QB ALA 109 far 0 85 0 - 7.5-44.5 HA LYS 31 - QB ALA 108 far 0 99 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 69 0 - 7.8-40.6 HA ALA 110 - QB ALA 28 far 0 99 0 - 7.8-26.6 HA THR 25 - QB ALA 15 far 0 99 0 - 7.8-18.5 HA LYS 19 - QB ALA 29 far 0 86 0 - 8.0-19.1 HA ALA 109 - QB ALA 15 far 0 99 0 - 8.0-45.2 HA GLN 61 - QB ALA 15 far 0 100 0 - 8.1-30.8 HA THR 18 - QB ALA 29 far 0 97 0 - 8.1-20.6 HA THR 18 - QB ALA 108 far 0 98 0 - 8.4-40.4 HA LYS 36 - QB ALA 28 far 0 97 0 - 8.4-17.1 HA LYS 19 - QB ALA 108 far 0 88 0 - 8.5-39.5 HA LYS 36 - QB ALA 15 far 0 98 0 - 8.6-28.8 HA ALA 109 - QB ALA 29 far 0 98 0 - 8.6-23.4 HA ALA 108 - QB ALA 15 far 0 99 0 - 8.7-42.9 HB THR 115 - QB ALA 15 far 0 97 0 - 9.0-43.9 HA ALA 16 - QB ALA 108 far 0 98 0 - 9.1-40.0 HA ALA 110 - QB ALA 29 far 0 99 0 - 9.1-24.9 HA LYS 31 - QB ALA 109 far 0 82 0 - 9.1-27.0 HA TYR 76 - QB ALA 29 far 0 60 0 - 9.5-18.4 HA TYR 76 - QB ALA 15 far 0 62 0 - 9.8-36.0 HA ALA 15 - QB ALA 108 far 0 100 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 3536 from cnoeabs.peaks (1.38, 1.38, 19.16 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * QB ALA 110 + QB ALA 110 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 100 100 - 100 QB ALA 108 + QB ALA 108 OK 100 100 - 100 QB ALA 28 + QB ALA 28 OK 99 99 - 100 QB ALA 29 + QB ALA 29 OK 99 99 - 100 QB ALA 109 + QB ALA 109 OK 83 83 - 100 Peak 3537 from cnoeabs.peaks (8.30, 1.38, 19.16 ppm; 3.09 A): 6 out of 54 assignments used, quality = 1.00: H ALA 110 + QB ALA 110 OK 100 100 100 100 2.0-3.0 2.9=100 * H GLY 111 + QB ALA 110 OK 91 100 100 91 1.8-3.3 3.7=57, 7577/2.1=45...(13) H ALA 110 + QB ALA 109 OK 72 85 100 85 1.8-3.7 3.7=57, 7570/2.1=30...(18) H ALA 28 + QB ALA 28 OK 71 71 100 100 2.1-3.0 2.9=100 H GLY 111 + QB ALA 109 OK 46 85 80 67 2.2-5.6 7578=25, 7578/4.7=13...(10) H GLY 17 + QB ALA 15 OK 29 88 70 47 2.3-6.4 6127/3.7=28, 7578=7...(7) H ALA 28 - QB ALA 29 poor 19 71 40 67 4.3-5.3 6304/4.7=17, 4.6/6311=13...(18) H ALA 110 - QB ALA 108 poor 9 100 35 25 2.6-6.2 7571/4.6=12, 4.7/7564=10...(4) H LEU 69 - QB ALA 29 far 5 99 5 - 3.3-9.0 H SER 99 - QB ALA 108 far 5 96 5 - 4.0-15.3 H LEU 49 - QB ALA 29 lone 1 99 25 5 2.6-14.9 4.6/10790=2 H GLY 111 - QB ALA 15 far 0 100 0 - 4.8-44.2 H ALA 21 - QB ALA 28 far 0 99 0 - 4.8-16.8 H SER 99 - QB ALA 110 far 0 97 0 - 4.8-19.5 H ALA 28 - QB ALA 108 far 0 73 0 - 4.8-23.5 H GLY 111 - QB ALA 108 far 0 100 0 - 5.0-8.8 H GLY 17 - QB ALA 110 far 0 89 0 - 5.3-45.6 H ALA 21 - QB ALA 15 far 0 100 0 - 5.6-11.2 H ALA 21 - QB ALA 108 far 0 99 0 - 5.7-37.8 H TYR 72 - QB ALA 29 far 0 82 0 - 5.9-12.6 H LEU 49 - QB ALA 28 far 0 99 0 - 6.3-18.1 H ALA 21 - QB ALA 110 far 0 100 0 - 6.5-42.0 H GLY 17 - QB ALA 28 far 0 87 0 - 6.7-21.7 H GLY 17 - QB ALA 109 far 0 69 0 - 6.8-42.7 H LEU 69 - QB ALA 108 far 0 100 0 - 6.8-15.4 H ALA 21 - QB ALA 109 far 0 83 0 - 6.9-39.2 H LEU 43 - QB ALA 29 far 0 90 0 - 6.9-16.5 H ALA 110 - QB ALA 15 far 0 100 0 - 7.0-45.9 H ALA 28 - QB ALA 110 far 0 73 0 - 7.0-27.3 H ALA 110 - QB ALA 28 far 0 99 0 - 7.2-26.1 H SER 99 - QB ALA 109 far 0 78 0 - 7.4-16.4 H LEU 96 - QB ALA 29 far 0 60 0 - 7.6-17.2 H LEU 96 - QB ALA 108 far 0 62 0 - 7.8-18.4 H ALA 28 - QB ALA 109 far 0 55 0 - 7.9-25.5 H ALA 21 - QB ALA 29 far 0 98 0 - 7.9-17.3 H ALA 28 - QB ALA 15 far 0 73 0 - 8.0-20.8 H LEU 69 - QB ALA 28 far 0 99 0 - 8.2-14.0 H SER 99 - QB ALA 29 far 0 95 0 - 8.2-16.9 H LEU 96 - QB ALA 110 far 0 63 0 - 8.3-21.3 H GLU 40 - QB ALA 15 far 0 78 0 - 8.3-33.4 H LEU 96 - QB ALA 28 far 0 61 0 - 8.4-19.5 H GLY 111 - QB ALA 28 far 0 99 0 - 8.6-26.2 H VAL 126 - QB ALA 110 far 0 96 0 - 8.7-19.9 H GLY 17 - QB ALA 108 far 0 88 0 - 9.0-40.9 H TYR 72 - QB ALA 108 far 0 84 0 - 9.0-17.4 H LEU 43 - QB ALA 15 far 0 92 0 - 9.0-31.4 H LEU 43 - QB ALA 28 far 0 90 0 - 9.0-19.0 H LEU 49 - QB ALA 108 far 0 100 0 - 9.4-18.2 H ALA 110 - QB ALA 29 far 0 99 0 - 9.4-24.0 H GLU 40 - QB ALA 29 far 0 76 0 - 9.5-17.6 H LEU 69 - QB ALA 109 far 0 84 0 - 9.5-17.9 H SER 99 - QB ALA 28 far 0 95 0 - 9.5-19.9 H GLY 17 - QB ALA 29 far 0 86 0 - 9.5-21.0 H GLY 111 - QB ALA 29 far 0 99 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 3538 from cnoeabs.peaks (8.30, 3.93, 45.11 ppm; 3.95 A): 4 out of 14 assignments used, quality = 1.00: * H GLY 111 + HA2 GLY 111 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 110 + HA2 GLY 111 OK 81 100 85 95 4.3-6.1 11477=32, 7573/4.8=24...(24) H GLY 111 + HA3 GLY 111 OK 81 81 100 100 2.3-3.0 3.0=100 H ALA 110 + HA3 GLY 111 OK 64 80 85 93 4.5-6.4 11477/1.8=32...(23) H GLY 17 - HA2 GLY 111 far 9 89 10 - 3.9-49.2 H ALA 21 - HA3 GLY 14 far 4 83 5 - 5.2-15.8 H GLY 17 - HA3 GLY 14 far 3 69 5 - 4.0-8.8 H GLY 17 - HA2 GLY 14 far 3 66 5 - 4.8-9.2 H GLY 17 - HA3 GLY 111 far 3 65 5 - 3.7-50.2 H ALA 21 - HA2 GLY 14 far 0 80 0 - 6.5-14.6 H ALA 21 - HA2 GLY 111 far 0 100 0 - 7.5-44.9 H ALA 21 - HA3 GLY 111 far 0 79 0 - 8.3-46.0 H GLY 111 - HA3 GLY 14 far 0 85 0 - 9.0-49.5 H GLY 111 - HA2 GLY 14 far 0 82 0 - 9.2-50.3 Violated in 0 structures by 0.00 A. Peak 3539 from cnoeabs.peaks (3.93, 3.93, 45.11 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA2 GLY 111 + HA2 GLY 111 OK 100 100 - 100 HA3 GLY 14 + HA3 GLY 14 OK 77 77 - 100 HA2 GLY 14 + HA2 GLY 14 OK 73 73 - 100 HA3 GLY 111 + HA3 GLY 111 OK 70 70 - 100 Peak 3540 from cnoeabs.peaks (3.94, 3.93, 45.11 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HA2 GLY 111 + HA2 GLY 111 OK 93 93 - 100 HA3 GLY 111 + HA3 GLY 111 OK 81 81 - 100 HA3 GLY 14 + HA3 GLY 14 OK 51 51 - 100 HA2 GLY 14 + HA2 GLY 14 OK 47 47 - 100 Reference assignment not found: HA3 GLY 111 - HA2 GLY 111 Peak 3541 from cnoeabs.peaks (7.93, 3.93, 45.11 ppm; 3.62 A): 2 out of 10 assignments used, quality = 1.00: * H VAL 112 + HA2 GLY 111 OK 100 100 100 100 2.1-3.5 3.6=100 H VAL 112 + HA3 GLY 111 OK 81 81 100 100 2.1-3.6 3.6=100 H ASP 64 - HA2 GLY 111 far 4 73 5 - 4.9-19.2 HD22 ASN 116 - HA2 GLY 111 far 0 87 0 - 5.2-13.0 HD22 ASN 116 - HA3 GLY 111 far 0 64 0 - 6.6-13.6 H ASP 64 - HA3 GLY 111 far 0 52 0 - 6.6-17.8 H ASP 64 - HA2 GLY 14 far 0 53 0 - 8.1-34.9 H VAL 112 - HA2 GLY 14 far 0 82 0 - 8.6-48.3 H VAL 112 - HA3 GLY 14 far 0 85 0 - 8.8-47.5 H ASP 64 - HA3 GLY 14 far 0 55 0 - 9.1-34.0 Violated in 0 structures by 0.00 A. Peak 3542 from cnoeabs.peaks (8.30, 3.94, 45.11 ppm; 4.20 A): 6 out of 24 assignments used, quality = 1.00: * H GLY 111 + HA3 GLY 111 OK 100 100 100 100 2.3-3.0 3.0=100 H ALA 110 + HA3 GLY 111 OK 86 100 90 95 4.5-6.4 11477/1.8=37...(23) H GLY 111 + HA2 GLY 111 OK 81 81 100 100 2.3-2.9 3.0=100 H ALA 110 + HA2 GLY 111 OK 73 80 95 96 4.3-6.1 7573/4.8=28...(24) H GLY 17 + HA2 GLY 17 OK 56 56 100 100 2.3-3.0 3.0=100 H GLY 17 + HA3 GLY 17 OK 56 56 100 100 2.3-3.0 3.0=100 H ALA 21 - HA2 GLY 17 lone 7 69 65 17 2.5-9.9 4.3/10668=6, 4.3/10668=6 H GLY 17 - HA2 GLY 111 far 7 65 10 - 3.9-49.2 H ALA 21 - HA3 GLY 17 lone 4 69 35 18 3.7-10.3 4.3/10668=9, 4.3/10668=5 H GLY 17 - HA3 GLY 111 far 4 89 5 - 3.7-50.2 H GLY 111 - HA3 GLY 17 far 4 70 5 - 3.7-49.6 H GLY 111 - HA2 GLY 17 far 4 70 5 - 5.5-51.3 H ALA 110 - HA3 GLY 17 far 3 70 5 - 5.4-51.9 H ALA 110 - HA2 GLY 17 far 0 70 0 - 6.9-53.5 H ALA 21 - HA2 GLY 111 far 0 79 0 - 7.5-44.9 H LEU 43 - HA3 GLY 17 far 0 59 0 - 8.0-33.4 H LEU 49 - HA2 GLY 17 far 0 70 0 - 8.2-31.8 H ALA 21 - HA3 GLY 111 far 0 100 0 - 8.3-46.0 H LEU 43 - HA2 GLY 17 far 0 59 0 - 8.4-33.1 H GLU 40 - HA2 GLY 17 far 0 48 0 - 9.1-35.3 H LEU 69 - HA2 GLY 17 far 0 69 0 - 9.2-31.8 H ALA 28 - HA2 GLY 17 far 0 44 0 - 9.3-22.3 H GLU 40 - HA3 GLY 17 far 0 48 0 - 9.4-35.8 H LEU 49 - HA3 GLY 17 far 0 70 0 - 9.6-30.8 Violated in 0 structures by 0.00 A. Peak 3543 from cnoeabs.peaks (3.93, 3.94, 45.11 ppm; diagonal): 4 out of 4 assignments used, quality = 0.99: HA3 GLY 111 + HA3 GLY 111 OK 93 93 - 100 HA2 GLY 111 + HA2 GLY 111 OK 81 81 - 100 HA2 GLY 17 + HA2 GLY 17 OK 33 33 - 100 HA3 GLY 17 + HA3 GLY 17 OK 33 33 - 100 Reference assignment not found: HA2 GLY 111 - HA3 GLY 111 Peak 3544 from cnoeabs.peaks (3.94, 3.94, 45.11 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA3 GLY 111 + HA3 GLY 111 OK 100 100 - 100 HA2 GLY 111 + HA2 GLY 111 OK 70 70 - 100 HA2 GLY 17 + HA2 GLY 17 OK 58 58 - 100 HA3 GLY 17 + HA3 GLY 17 OK 58 58 - 100 Peak 3545 from cnoeabs.peaks (7.93, 3.94, 45.11 ppm; 3.96 A): 2 out of 10 assignments used, quality = 1.00: * H VAL 112 + HA3 GLY 111 OK 100 100 100 100 2.1-3.6 3.6=100 H VAL 112 + HA2 GLY 111 OK 81 81 100 100 2.1-3.5 3.6=100 H VAL 112 - HA3 GLY 17 far 4 70 5 - 5.2-47.6 HD22 ASN 116 - HA2 GLY 111 far 3 64 5 - 5.2-13.0 H ASP 64 - HA2 GLY 111 far 3 52 5 - 4.9-19.2 HD22 ASN 116 - HA3 GLY 111 far 0 87 0 - 6.6-13.6 H ASP 64 - HA3 GLY 111 far 0 73 0 - 6.6-17.8 H VAL 112 - HA2 GLY 17 far 0 70 0 - 6.7-49.3 HD22 ASN 116 - HA3 GLY 17 far 0 54 0 - 7.2-41.9 HD22 ASN 116 - HA2 GLY 17 far 0 54 0 - 8.5-43.5 Violated in 0 structures by 0.00 A. Peak 3546 from cnoeabs.peaks (7.93, 4.42, 59.99 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 112 + HA VAL 112 OK 100 100 100 100 2.3-2.9 3.0=100 HD22 ASN 116 - HA VAL 112 far 0 87 0 - 5.9-10.6 H ASP 64 - HA VAL 112 far 0 73 0 - 9.6-18.2 Violated in 0 structures by 0.00 A. Peak 3547 from cnoeabs.peaks (4.42, 4.42, 59.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 112 + HA VAL 112 OK 100 100 - 100 Peak 3548 from cnoeabs.peaks (2.12, 4.42, 59.99 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 112 + HA VAL 112 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 PRO 56 - HA VAL 112 far 4 87 5 - 4.1-16.2 HB VAL 57 - HA VAL 112 far 0 63 0 - 6.1-16.6 HB3 GLN 61 - HA VAL 112 far 0 89 0 - 9.4-18.3 Violated in 0 structures by 0.00 A. Peak 3549 from cnoeabs.peaks (0.92, 4.42, 59.99 ppm; 3.36 A): 1 out of 8 assignments used, quality = 1.00: * QG2 VAL 112 + HA VAL 112 OK 100 100 100 100 2.0-2.8 3.2=100 QD1 LEU 119 - HA VAL 112 far 4 87 5 - 4.5-10.2 QG2 VAL 63 - HA VAL 112 far 0 95 0 - 6.0-11.9 QG1 VAL 57 - HA VAL 112 far 0 71 0 - 6.2-15.5 QD1 LEU 62 - HA VAL 112 far 0 97 0 - 6.4-10.7 QG1 VAL 118 - HA VAL 112 far 0 73 0 - 7.8-12.7 QD1 LEU 22 - HA VAL 112 far 0 60 0 - 9.4-37.2 QG1 VAL 20 - HA VAL 112 far 0 90 0 - 9.8-38.3 Violated in 0 structures by 0.00 A. Peak 3550 from cnoeabs.peaks (0.97, 4.42, 59.99 ppm; 3.12 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 112 + HA VAL 112 OK 100 100 100 100 1.9-2.9 3562=100, 2.1/3557=67...(21) QD1 LEU 119 - HA VAL 112 far 3 68 5 - 4.5-10.2 QG1 VAL 57 - HA VAL 112 far 0 85 0 - 6.2-15.5 QG1 VAL 105 - HA VAL 112 far 0 99 0 - 8.6-16.6 QD2 LEU 53 - HA VAL 112 far 0 100 0 - 9.0-17.0 Violated in 0 structures by 0.00 A. Peak 3551 from cnoeabs.peaks (7.93, 2.12, 32.23 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 112 + HB VAL 112 OK 100 100 100 100 2.1-3.7 7587=100, 3556/2.1=72...(17) HD22 ASN 116 - HB VAL 112 far 0 87 0 - 5.9-9.9 H ASP 64 - HB VAL 112 far 0 73 0 - 7.8-20.0 Violated in 5 structures by 0.03 A. Peak 3552 from cnoeabs.peaks (4.42, 2.12, 32.23 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 112 + HB VAL 112 OK 100 100 100 100 2.9-3.0 3.0=100 HA THR 115 - HB VAL 112 far 0 81 0 - 5.2-8.3 Violated in 0 structures by 0.00 A. Peak 3553 from cnoeabs.peaks (2.12, 2.12, 32.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 112 + HB VAL 112 OK 100 100 - 100 Peak 3554 from cnoeabs.peaks (0.92, 2.12, 32.23 ppm; 2.88 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 112 + HB VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 63 - HB VAL 112 far 5 95 5 - 3.9-13.7 QD1 LEU 119 - HB VAL 112 far 0 87 0 - 4.7-10.3 QD1 LEU 62 - HB VAL 112 far 0 97 0 - 5.8-11.2 QG1 VAL 118 - HB VAL 112 far 0 73 0 - 7.9-13.0 QG1 VAL 57 - HB VAL 112 far 0 71 0 - 7.9-16.0 Violated in 0 structures by 0.00 A. Peak 3555 from cnoeabs.peaks (0.97, 2.12, 32.23 ppm; 2.97 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 112 + HB VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - HB VAL 112 far 0 68 0 - 4.7-10.3 QG1 VAL 105 - HB VAL 112 far 0 99 0 - 7.3-17.3 QG1 VAL 57 - HB VAL 112 far 0 85 0 - 7.9-16.0 QD2 LEU 53 - HB VAL 112 far 0 100 0 - 9.6-16.8 Violated in 0 structures by 0.00 A. Peak 3556 from cnoeabs.peaks (7.93, 0.92, 20.16 ppm; 2.86 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.3-3.4 7588=92, 7587/2.1=53...(17) HD22 ASN 116 - QG2 VAL 112 far 0 87 0 - 6.5-9.7 H ASP 64 - QG2 VAL 112 far 0 73 0 - 7.3-17.2 Violated in 13 structures by 0.15 A. Peak 3557 from cnoeabs.peaks (4.42, 0.92, 20.16 ppm; 3.04 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.0-2.8 3549=90, 3562/2.1=64...(20) HA THR 115 - QG2 VAL 112 far 0 81 0 - 6.1-8.2 HA THR 54 - QG2 VAL 112 far 0 100 0 - 9.0-18.0 Violated in 0 structures by 0.00 A. Peak 3558 from cnoeabs.peaks (2.12, 0.92, 20.16 ppm; 2.74 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 PRO 56 - QG2 VAL 112 far 4 87 5 - 3.7-14.4 HB VAL 57 - QG2 VAL 112 far 0 63 0 - 6.4-15.5 HB3 GLN 61 - QG2 VAL 112 far 0 89 0 - 7.8-17.0 HB2 GLN 61 - QG2 VAL 112 far 0 83 0 - 8.8-18.4 Violated in 0 structures by 0.00 A. Peak 3559 from cnoeabs.peaks (0.92, 0.92, 20.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 112 + QG2 VAL 112 OK 100 100 - 100 Peak 3560 from cnoeabs.peaks (0.97, 0.92, 20.16 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.0-2.1 2.1=100 QG1 VAL 105 - QG2 VAL 112 far 0 99 0 - 5.2-15.3 QD1 LEU 119 - QG2 VAL 112 far 0 68 0 - 5.4-9.8 QG1 VAL 57 - QG2 VAL 112 far 0 85 0 - 5.8-14.2 QD2 LEU 53 - QG2 VAL 112 far 0 100 0 - 8.5-14.6 Violated in 0 structures by 0.00 A. Peak 3561 from cnoeabs.peaks (7.93, 0.97, 20.69 ppm; 3.94 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 112 + QG1 VAL 112 OK 100 100 100 100 3.4-4.1 7589=100, 3556/2.1=93...(15) HD22 ASN 116 - QG1 VAL 112 poor 17 87 20 - 4.1-8.1 H ASP 64 - QG1 VAL 112 far 0 73 0 - 7.2-16.2 H VAL 112 - QG1 VAL 105 far 0 69 0 - 8.4-15.7 HD22 ASN 116 - QG1 VAL 105 far 0 53 0 - 9.2-12.8 H ASP 64 - QG1 VAL 105 far 0 43 0 - 9.3-12.1 Violated in 11 structures by 0.03 A. Peak 3562 from cnoeabs.peaks (4.42, 0.97, 20.69 ppm; 3.18 A): 1 out of 8 assignments used, quality = 1.00: * HA VAL 112 + QG1 VAL 112 OK 100 100 100 100 1.9-2.9 3550=100, 3557/2.1=69...(22) HA THR 115 - QG1 VAL 112 far 12 81 15 - 4.1-5.6 HA MET 11 - QG1 VAL 105 far 3 69 5 - 4.4-45.7 HA THR 54 - QG1 VAL 112 far 0 100 0 - 8.1-16.3 HA SER 9 - QG1 VAL 105 far 0 36 0 - 8.2-47.6 HA VAL 112 - QG1 VAL 105 far 0 69 0 - 8.6-16.6 HA ASP 71 - QG1 VAL 105 far 0 67 0 - 9.2-13.9 HA ASN 120 - QG1 VAL 112 far 0 100 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3563 from cnoeabs.peaks (2.12, 0.97, 20.69 ppm; 2.89 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 PRO 56 - QG1 VAL 112 far 0 87 0 - 4.6-12.2 HB2 GLU 97 - QG1 VAL 105 far 0 50 0 - 7.3-11.9 HB VAL 112 - QG1 VAL 105 far 0 69 0 - 7.3-17.3 HB VAL 57 - QG1 VAL 112 far 0 63 0 - 7.5-13.5 HB3 GLN 61 - QG1 VAL 112 far 0 89 0 - 8.1-15.3 HB2 GLN 61 - QG1 VAL 112 far 0 83 0 - 9.1-16.7 Violated in 0 structures by 0.00 A. Peak 3564 from cnoeabs.peaks (0.92, 0.97, 20.69 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * QG2 VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 63 - QG1 VAL 112 far 5 95 5 - 3.5-11.0 QD1 LEU 119 - QG1 VAL 112 far 0 87 0 - 4.3-8.1 QG2 VAL 63 - QG1 VAL 105 far 0 61 0 - 5.2-7.8 QG2 VAL 112 - QG1 VAL 105 far 0 69 0 - 5.2-15.3 QD1 LEU 62 - QG1 VAL 112 far 0 97 0 - 5.3-9.2 QG1 VAL 20 - QG1 VAL 105 far 0 56 0 - 5.8-29.9 QG1 VAL 118 - QG1 VAL 105 far 0 43 0 - 6.4-9.6 QG1 VAL 118 - QG1 VAL 112 far 0 73 0 - 6.6-10.4 QG1 VAL 57 - QG1 VAL 112 far 0 71 0 - 7.0-12.5 QD1 LEU 62 - QG1 VAL 105 far 0 64 0 - 7.2-11.6 QD1 LEU 22 - QG1 VAL 105 far 0 34 0 - 7.7-28.1 QD1 LEU 119 - QG1 VAL 105 far 0 53 0 - 8.6-12.6 QD1 LEU 123 - QG1 VAL 112 far 0 100 0 - 8.8-14.1 Violated in 0 structures by 0.00 A. Peak 3565 from cnoeabs.peaks (0.97, 0.97, 20.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 112 + QG1 VAL 112 OK 100 100 - 100 QG1 VAL 105 + QG1 VAL 105 OK 66 66 - 100 Peak 3566 from cnoeabs.peaks (4.42, 3.70, 50.95 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 112 + HD2 PRO 113 OK 100 100 100 100 2.1-2.4 3567=100, 3568/1.8=75...(35) HA THR 115 - HD2 PRO 113 far 0 81 0 - 5.6-8.7 HA THR 54 - HD2 PRO 113 far 0 100 0 - 8.2-19.9 Violated in 0 structures by 0.00 A. Peak 3567 from cnoeabs.peaks (3.70, 4.42, 59.99 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HA VAL 112 OK 100 100 100 100 2.1-2.4 3566=97, 1.8/3568=66...(34) Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (4.42, 3.94, 50.95 ppm; 3.24 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 112 + HD3 PRO 113 OK 100 100 100 100 2.3-2.3 3567/1.8=77, 3569=71...(34) HA THR 115 - HD3 PRO 117 far 3 53 5 - 4.5-6.8 HA VAL 112 - HD3 PRO 117 far 0 74 0 - 5.9-12.4 HA THR 115 - HD3 PRO 113 far 0 81 0 - 7.0-9.2 HA THR 54 - HD3 PRO 113 far 0 100 0 - 8.0-20.1 HA ASN 120 - HD3 PRO 117 far 0 74 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 3569 from cnoeabs.peaks (3.94, 4.42, 59.99 ppm; 2.89 A): 2 out of 13 assignments used, quality = 1.00: * HD3 PRO 113 + HA VAL 112 OK 100 100 100 100 2.3-2.3 3568=88, 1.8/3567=63...(32) HA2 GLY 111 + HA VAL 112 OK 41 99 50 82 4.3-5.3 10661/3557=24, 4.8=21...(18) HA3 GLY 111 - HA VAL 112 far 5 99 5 - 4.4-5.3 HB2 SER 60 - HA VAL 112 far 3 60 5 - 4.4-18.4 HB2 SER 107 - HA VAL 112 far 0 92 0 - 5.1-17.7 HB3 SER 60 - HA VAL 112 far 0 60 0 - 5.3-18.2 HD3 PRO 117 - HA VAL 112 far 0 92 0 - 5.9-12.4 HB3 SER 107 - HA VAL 112 far 0 76 0 - 6.3-17.4 HA2 GLY 14 - HA VAL 112 far 0 85 0 - 7.0-48.7 HA3 GLY 17 - HA VAL 112 far 0 73 0 - 7.1-47.7 HB2 SER 106 - HA VAL 112 far 0 60 0 - 7.7-17.1 HA3 GLY 14 - HA VAL 112 far 0 87 0 - 7.7-47.8 HA2 GLY 17 - HA VAL 112 far 0 73 0 - 8.5-49.3 Violated in 0 structures by 0.00 A. Peak 3570 from cnoeabs.peaks (4.37, 3.70, 50.95 ppm; 6.22 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 113 + HD2 PRO 113 OK 100 100 100 100 4.1-4.1 3.6=100 HA THR 115 + HD2 PRO 113 OK 33 60 55 100 5.6-8.7 3.2/11558=78, ~10189=69...(18) HA SER 107 - HD2 PRO 113 far 0 90 0 - 8.3-16.9 HA PRO 117 - HD2 PRO 113 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 3571 from cnoeabs.peaks (1.91, 3.70, 50.95 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 113 + HD2 PRO 113 OK 100 100 100 100 4.0-4.0 3.0=100 HG2 PRO 113 + HD2 PRO 113 OK 78 78 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 3572 from cnoeabs.peaks (2.27, 3.70, 50.95 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HG2 GLN 61 - HD2 PRO 113 far 0 99 0 - 8.9-19.5 Violated in 0 structures by 0.00 A. Peak 3573 from cnoeabs.peaks (1.93, 3.70, 50.95 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * HG2 PRO 113 + HD2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 113 + HD2 PRO 113 OK 78 78 100 100 4.0-4.0 3.0=100 HB2 PRO 58 - HD2 PRO 113 far 0 89 0 - 5.5-16.2 Violated in 0 structures by 0.00 A. Peak 3574 from cnoeabs.peaks (2.06, 3.70, 50.95 ppm; 3.62 A): 1 out of 9 assignments used, quality = 1.00: * HG3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 117 - HD2 PRO 113 far 0 99 0 - 5.9-14.5 HB VAL 57 - HD2 PRO 113 far 0 60 0 - 6.6-16.7 HG3 PRO 117 - HD2 PRO 113 far 0 97 0 - 7.2-14.7 HB3 GLU 55 - HD2 PRO 113 far 0 85 0 - 7.6-19.3 HG3 PRO 58 - HD2 PRO 113 far 0 97 0 - 7.8-17.7 HB2 LEU 62 - HD2 PRO 113 far 0 100 0 - 8.3-14.9 QE MET 11 - HD2 PRO 113 far 0 83 0 - 9.1-46.4 HB VAL 118 - HD2 PRO 113 far 0 100 0 - 9.3-13.7 Violated in 0 structures by 0.00 A. Peak 3575 from cnoeabs.peaks (3.70, 3.70, 50.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HD2 PRO 113 OK 100 100 - 100 Peak 3576 from cnoeabs.peaks (3.94, 3.70, 50.95 ppm; 2.88 A): 1 out of 13 assignments used, quality = 1.00: * HD3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 107 - HD2 PRO 113 far 0 92 0 - 5.6-19.4 HB2 SER 60 - HD2 PRO 113 far 0 60 0 - 5.9-18.2 HA2 GLY 14 - HD2 PRO 113 far 0 85 0 - 6.2-48.3 HA2 GLY 111 - HD2 PRO 113 far 0 99 0 - 6.3-7.2 HA3 GLY 111 - HD2 PRO 113 far 0 99 0 - 6.4-7.2 HB3 SER 107 - HD2 PRO 113 far 0 76 0 - 6.5-19.0 HB3 SER 60 - HD2 PRO 113 far 0 60 0 - 6.7-18.0 HA3 GLY 14 - HD2 PRO 113 far 0 87 0 - 6.9-47.4 HD3 PRO 117 - HD2 PRO 113 far 0 92 0 - 7.0-12.8 HA3 GLY 17 - HD2 PRO 113 far 0 73 0 - 9.1-47.3 HB2 SER 106 - HD2 PRO 113 far 0 60 0 - 9.3-18.3 HA LEU 100 - HD2 PRO 113 far 0 73 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 3577 from cnoeabs.peaks (8.57, 3.70, 50.95 ppm; 6.12 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + HD2 PRO 113 OK 100 100 100 100 5.3-5.6 7596=100, 7591/3.6=100...(14) Violated in 0 structures by 0.00 A. Peak 3578 from cnoeabs.peaks (4.37, 3.94, 50.95 ppm; 5.68 A): 3 out of 8 assignments used, quality = 1.00: * HA PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.6-3.6 3.6=100 HA PRO 117 + HD3 PRO 117 OK 73 73 100 100 3.6-4.1 3.6=100 HA THR 115 + HD3 PRO 117 OK 35 37 100 93 4.5-6.8 3.6/10197=52...(10) HA THR 115 - HD3 PRO 113 poor 15 60 25 - 7.0-9.2 HA PRO 113 - HD3 PRO 117 far 11 74 15 - 3.8-11.4 HA SER 107 - HD3 PRO 117 far 6 61 10 - 6.6-16.7 HA SER 107 - HD3 PRO 113 far 5 90 5 - 6.6-17.1 HA PRO 117 - HD3 PRO 113 far 0 100 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3579 from cnoeabs.peaks (1.91, 3.94, 50.95 ppm; 4.50 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HG2 PRO 113 + HD3 PRO 113 OK 78 78 100 100 3.0-3.0 2.3=100 HB2 PRO 113 - HD3 PRO 117 far 0 74 0 - 6.5-11.3 HG2 PRO 113 - HD3 PRO 117 far 0 51 0 - 7.5-12.7 HG LEU 53 - HD3 PRO 113 far 0 68 0 - 9.4-20.5 HB3 LEU 123 - HD3 PRO 117 far 0 39 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 3580 from cnoeabs.peaks (2.27, 3.94, 50.95 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 PRO 113 - HD3 PRO 117 far 4 74 5 - 5.8-12.4 HG2 GLN 61 - HD3 PRO 113 far 0 99 0 - 7.2-18.6 HB VAL 105 - HD3 PRO 113 far 0 98 0 - 9.2-20.5 Violated in 0 structures by 0.00 A. Peak 3581 from cnoeabs.peaks (1.93, 3.94, 50.95 ppm; 4.02 A): 2 out of 6 assignments used, quality = 1.00: * HG2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 113 + HD3 PRO 113 OK 78 78 100 100 3.9-3.9 3.0=100 HB2 PRO 58 - HD3 PRO 113 far 4 89 5 - 4.7-15.4 HB2 PRO 113 - HD3 PRO 117 far 0 51 0 - 6.5-11.3 HG2 PRO 113 - HD3 PRO 117 far 0 74 0 - 7.5-12.7 HG LEU 53 - HD3 PRO 113 far 0 100 0 - 9.4-20.5 Violated in 0 structures by 0.00 A. Peak 3582 from cnoeabs.peaks (2.06, 3.94, 50.95 ppm; 3.87 A): 4 out of 16 assignments used, quality = 1.00: * HG3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 117 + HD3 PRO 117 OK 72 72 100 100 2.3-3.0 2.3=100 HG3 PRO 117 + HD3 PRO 117 OK 69 69 100 100 2.3-3.0 2.3=100 HB VAL 118 + HD3 PRO 117 OK 53 73 75 97 4.1-6.2 11542/3.6=40, ~11590=32...(22) HB VAL 57 - HD3 PRO 113 far 3 60 5 - 4.9-16.1 HG2 PRO 117 - HD3 PRO 113 far 0 99 0 - 5.7-15.0 HG3 PRO 58 - HD3 PRO 113 far 0 97 0 - 6.5-16.9 HG3 PRO 117 - HD3 PRO 113 far 0 97 0 - 6.6-15.0 HB3 GLU 55 - HD3 PRO 113 far 0 85 0 - 6.9-19.1 HB2 LEU 62 - HD3 PRO 113 far 0 100 0 - 7.0-13.9 HB2 GLU 102 - HD3 PRO 117 far 0 53 0 - 7.1-14.0 HG3 PRO 113 - HD3 PRO 117 far 0 74 0 - 7.6-13.3 QE MET 11 - HD3 PRO 113 far 0 83 0 - 8.1-45.5 HB2 LEU 62 - HD3 PRO 117 far 0 73 0 - 8.2-18.7 HB VAL 118 - HD3 PRO 113 far 0 100 0 - 8.6-13.8 HB2 GLU 102 - HD3 PRO 113 far 0 81 0 - 9.0-20.4 Violated in 0 structures by 0.00 A. Peak 3583 from cnoeabs.peaks (3.70, 3.94, 50.95 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 113 - HD3 PRO 117 far 0 74 0 - 7.0-12.8 Violated in 0 structures by 0.00 A. Peak 3584 from cnoeabs.peaks (3.94, 3.94, 50.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 113 + HD3 PRO 113 OK 100 100 - 100 HD3 PRO 117 + HD3 PRO 117 OK 63 63 - 100 Peak 3586 from cnoeabs.peaks (4.37, 4.37, 63.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 113 + HA PRO 113 OK 100 100 - 100 Peak 3587 from cnoeabs.peaks (1.91, 4.37, 63.85 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 113 + HA PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 113 + HA PRO 113 OK 74 78 100 95 3.9-3.9 3.8=85, 11545/4.9=29...(7) HG LEU 53 - HA PRO 113 far 0 68 0 - 8.0-17.0 Violated in 0 structures by 0.00 A. Peak 3588 from cnoeabs.peaks (2.27, 4.37, 63.85 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + HA PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 GLN 61 - HA PRO 113 far 0 99 0 - 7.2-15.5 Violated in 0 structures by 0.00 A. Peak 3589 from cnoeabs.peaks (1.93, 4.37, 63.85 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.99: * HG2 PRO 113 + HA PRO 113 OK 96 100 100 96 3.9-3.9 3.8=88, 11545/4.9=32...(6) HB2 PRO 113 + HA PRO 113 OK 78 78 100 100 2.7-2.7 2.3=100 HB2 PRO 58 - HA PRO 113 lone 2 89 35 5 2.8-13.6 ~11566=2, ~11508=1 HG LEU 53 - HA PRO 113 far 0 100 0 - 8.0-17.0 Violated in 0 structures by 0.00 A. Peak 3590 from cnoeabs.peaks (2.06, 4.37, 63.85 ppm; 4.02 A): 1 out of 10 assignments used, quality = 1.00: * HG3 PRO 113 + HA PRO 113 OK 100 100 100 100 4.0-4.0 3.8=100 HG3 PRO 58 - HA PRO 113 far 10 97 10 - 4.8-14.6 HB VAL 118 - HA PRO 113 far 5 100 5 - 5.3-11.5 HG2 PRO 117 - HA PRO 113 far 5 99 5 - 4.5-13.4 HG3 PRO 117 - HA PRO 113 far 5 97 5 - 5.2-13.4 HB VAL 57 - HA PRO 113 far 3 60 5 - 5.1-13.4 QE MET 11 - HA PRO 113 far 0 83 0 - 6.1-43.6 HB2 LEU 62 - HA PRO 113 far 0 100 0 - 6.4-11.0 HB3 GLU 55 - HA PRO 113 far 0 85 0 - 7.8-16.1 HB2 GLU 102 - HA PRO 113 far 0 81 0 - 9.2-18.2 Violated in 20 structures by 0.00 A. Peak 3591 from cnoeabs.peaks (3.70, 4.37, 63.85 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HA PRO 113 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 3592 from cnoeabs.peaks (3.94, 4.37, 63.85 ppm; 4.17 A): 1 out of 12 assignments used, quality = 1.00: * HD3 PRO 113 + HA PRO 113 OK 100 100 100 100 3.6-3.6 3.6=100 HB2 SER 107 - HA PRO 113 far 9 92 10 - 4.2-19.0 HB2 SER 60 - HA PRO 113 far 9 60 15 - 4.1-15.4 HB3 SER 60 - HA PRO 113 far 6 60 10 - 4.2-15.5 HD3 PRO 117 - HA PRO 113 far 5 92 5 - 3.8-11.4 HB3 SER 107 - HA PRO 113 far 4 76 5 - 3.9-18.6 HA2 GLY 111 - HA PRO 113 far 0 99 0 - 6.3-7.9 HA3 GLY 111 - HA PRO 113 far 0 99 0 - 6.4-7.9 HA LEU 100 - HA PRO 113 far 0 73 0 - 7.5-14.9 HB2 SER 106 - HA PRO 113 far 0 60 0 - 8.2-19.6 HA3 GLY 17 - HA PRO 113 far 0 73 0 - 8.9-44.1 HA2 GLY 14 - HA PRO 113 far 0 85 0 - 9.8-44.8 Violated in 0 structures by 0.00 A. Peak 3593 from cnoeabs.peaks (8.57, 4.37, 63.85 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + HA PRO 113 OK 100 100 100 100 2.4-2.7 7591=100, 7593/2.3=43...(15) Violated in 0 structures by 0.00 A. Peak 3594 from cnoeabs.peaks (4.37, 1.91, 31.81 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 113 + HB2 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HA THR 115 + HB2 PRO 113 OK 28 60 50 94 4.9-7.4 ~10189=23, 11939/2.3=21...(26) HA SER 107 - HB2 PRO 113 far 0 90 0 - 7.4-18.9 HA PRO 117 - HB2 PRO 113 far 0 100 0 - 7.7-10.9 Violated in 0 structures by 0.00 A. Peak 3595 from cnoeabs.peaks (1.91, 1.91, 31.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 113 + HB2 PRO 113 OK 100 100 - 100 Peak 3596 from cnoeabs.peaks (2.27, 1.91, 31.81 ppm; 2.78 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 61 - HB2 PRO 113 far 0 99 0 - 7.1-16.9 Violated in 0 structures by 0.00 A. Peak 3597 from cnoeabs.peaks (1.93, 1.91, 31.81 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HB2 PRO 113 + HB2 PRO 113 OK 78 78 - 100 Reference assignment not found: HG2 PRO 113 - HB2 PRO 113 Peak 3598 from cnoeabs.peaks (2.06, 1.91, 31.81 ppm; 2.94 A): 1 out of 9 assignments used, quality = 1.00: * HG3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 LEU 62 - HB2 PRO 113 far 0 100 0 - 4.7-12.4 HB VAL 57 - HB2 PRO 113 far 0 60 0 - 6.1-13.9 HG2 PRO 117 - HB2 PRO 113 far 0 99 0 - 7.1-12.9 HG3 PRO 58 - HB2 PRO 113 far 0 97 0 - 7.2-14.3 QE MET 11 - HB2 PRO 113 far 0 83 0 - 7.2-43.2 HB VAL 118 - HB2 PRO 113 far 0 100 0 - 7.2-12.2 HB3 GLU 55 - HB2 PRO 113 far 0 85 0 - 7.3-17.0 HG3 PRO 117 - HB2 PRO 113 far 0 97 0 - 7.9-13.0 Violated in 0 structures by 0.00 A. Peak 3599 from cnoeabs.peaks (3.70, 1.91, 31.81 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HB2 PRO 113 OK 100 100 100 100 4.0-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3600 from cnoeabs.peaks (3.94, 1.91, 31.81 ppm; 4.06 A): 1 out of 12 assignments used, quality = 1.00: * HD3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 SER 107 - HB2 PRO 113 far 5 92 5 - 5.5-20.6 HB3 SER 107 - HB2 PRO 113 far 4 76 5 - 5.1-20.3 HD3 PRO 117 - HB2 PRO 113 far 0 92 0 - 6.5-11.3 HB2 SER 60 - HB2 PRO 113 far 0 60 0 - 6.7-15.8 HB3 SER 60 - HB2 PRO 113 far 0 60 0 - 6.9-16.5 HA LEU 100 - HB2 PRO 113 far 0 73 0 - 7.7-15.8 HA2 GLY 111 - HB2 PRO 113 far 0 99 0 - 8.5-9.8 HA3 GLY 111 - HB2 PRO 113 far 0 99 0 - 8.7-9.8 HA2 GLY 14 - HB2 PRO 113 far 0 85 0 - 9.0-45.4 HA3 GLY 17 - HB2 PRO 113 far 0 73 0 - 9.8-44.4 HA3 GLY 14 - HB2 PRO 113 far 0 87 0 - 9.9-45.6 Violated in 0 structures by 0.00 A. Peak 3601 from cnoeabs.peaks (8.57, 1.91, 31.81 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + HB2 PRO 113 OK 100 100 100 100 1.9-2.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 3602 from cnoeabs.peaks (4.37, 2.27, 31.81 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * HA PRO 113 + HB3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HA SER 107 - HB3 PRO 113 far 0 90 0 - 5.8-18.9 HA THR 115 - HB3 PRO 113 far 0 60 0 - 6.6-8.3 HA SER 107 - HB VAL 105 far 0 71 0 - 6.7-8.1 HA GLN 134 - HB VAL 132 far 0 56 0 - 7.3-8.4 HA PRO 117 - HB3 PRO 113 far 0 100 0 - 8.0-12.0 HA CYS 73 - HB VAL 132 far 0 65 0 - 8.1-11.2 HA CYS 125 - HB VAL 132 far 0 59 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 3603 from cnoeabs.peaks (1.91, 2.27, 31.81 ppm; 2.60 A): 2 out of 9 assignments used, quality = 1.00: * HB2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 113 + HB3 PRO 113 OK 78 78 100 100 3.0-3.0 2.3=100 HB2 ARG 135 - HB VAL 132 far 4 70 5 - 4.0-7.0 HB3 ARG 84 - HB VAL 132 far 0 72 0 - 6.5-9.5 HG LEU 53 - HB3 PRO 113 far 0 68 0 - 6.7-18.7 HB2 ARG 90 - HB VAL 132 far 0 73 0 - 7.8-11.0 HB2 MET 11 - HB VAL 105 far 0 76 0 - 8.9-57.5 HB3 LEU 49 - HB3 PRO 113 far 0 99 0 - 9.1-18.0 HB3 LEU 123 - HB3 PRO 113 far 0 62 0 - 9.3-17.4 Violated in 0 structures by 0.00 A. Peak 3604 from cnoeabs.peaks (2.27, 2.27, 31.81 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 PRO 113 + HB3 PRO 113 OK 100 100 - 100 HB VAL 105 + HB VAL 105 OK 81 81 - 100 HB VAL 132 + HB VAL 132 OK 72 72 - 100 Peak 3605 from cnoeabs.peaks (1.93, 2.27, 31.81 ppm; 2.91 A): 2 out of 12 assignments used, quality = 1.00: * HG2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 113 + HB3 PRO 113 OK 78 78 100 100 1.8-1.8 1.8=100 HB2 PRO 58 - HB3 PRO 113 far 0 89 0 - 4.7-12.6 HB3 PRO 81 - HB VAL 132 far 0 65 0 - 5.9-9.9 HB3 ARG 84 - HB VAL 132 far 0 39 0 - 6.5-9.5 HG LEU 53 - HB3 PRO 113 far 0 100 0 - 6.7-18.7 HB3 LYS 86 - HB VAL 132 far 0 49 0 - 7.0-9.8 HB2 GLU 30 - HB VAL 105 far 0 56 0 - 7.3-26.1 HB3 ARG 90 - HB VAL 132 far 0 56 0 - 7.8-11.9 HB2 ARG 90 - HB VAL 132 far 0 56 0 - 7.8-11.0 HB2 MET 11 - HB VAL 105 far 0 81 0 - 8.9-57.5 HB3 LEU 49 - HB3 PRO 113 far 0 90 0 - 9.1-18.0 Violated in 0 structures by 0.00 A. Peak 3606 from cnoeabs.peaks (2.06, 2.27, 31.81 ppm; 3.17 A): 2 out of 19 assignments used, quality = 1.00: * HG3 PRO 113 + HB3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 ARG 135 + HB VAL 132 OK 31 39 80 99 3.7-6.7 ~10527=21, ~10019=21...(37) HB2 GLU 102 - HB VAL 105 far 6 62 10 - 4.5-9.8 HG3 PRO 81 - HB VAL 132 far 3 69 5 - 4.2-8.4 QE MET 11 - HB VAL 105 far 3 64 5 - 4.3-47.2 HB2 LEU 62 - HB3 PRO 113 far 0 100 0 - 4.8-11.9 HG3 GLN 134 - HB VAL 132 far 0 52 0 - 5.5-7.7 HB VAL 57 - HB3 PRO 113 far 0 60 0 - 5.9-13.8 HB2 GLU 128 - HB VAL 132 far 0 54 0 - 6.2-8.5 QE MET 11 - HB3 PRO 113 far 0 83 0 - 6.4-43.2 HG2 PRO 117 - HB3 PRO 113 far 0 99 0 - 6.4-14.2 HG3 PRO 58 - HB3 PRO 113 far 0 97 0 - 6.6-14.3 HB3 GLU 55 - HB3 PRO 113 far 0 85 0 - 6.6-17.3 HB VAL 118 - HB3 PRO 113 far 0 100 0 - 6.8-13.3 HG3 PRO 117 - HB3 PRO 113 far 0 97 0 - 7.0-14.3 HB3 GLN 27 - HB VAL 105 far 0 85 0 - 8.0-28.7 HB3 LYS 39 - HB VAL 132 far 0 57 0 - 8.3-14.2 HB2 GLU 102 - HB3 PRO 113 far 0 81 0 - 9.0-19.6 HB3 GLU 91 - HB VAL 132 far 0 39 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 3607 from cnoeabs.peaks (3.70, 2.27, 31.81 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3608 from cnoeabs.peaks (3.94, 2.27, 31.81 ppm; 4.41 A): 2 out of 24 assignments used, quality = 1.00: * HD3 PRO 113 + HB3 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 106 + HB VAL 105 OK 40 45 90 100 3.2-6.6 4.0/7537=60...(17) HB2 SER 107 - HB3 PRO 113 far 5 92 5 - 3.8-20.8 HD3 PRO 117 - HB3 PRO 113 far 5 92 5 - 5.8-12.4 HB3 SER 107 - HB3 PRO 113 far 4 76 5 - 3.6-20.4 HB2 SER 107 - HB VAL 105 far 4 73 5 - 5.9-7.7 HB2 SER 60 - HB3 PRO 113 far 0 60 0 - 5.9-14.4 HB3 SER 60 - HB3 PRO 113 far 0 60 0 - 6.3-15.2 HA2 GLY 111 - HB VAL 105 far 0 83 0 - 6.5-16.7 HA LEU 100 - HB3 PRO 113 far 0 73 0 - 6.5-16.8 HB3 SER 107 - HB VAL 105 far 0 58 0 - 6.6-8.7 HA3 GLY 111 - HB VAL 105 far 0 82 0 - 6.7-17.9 HA2 GLY 17 - HB VAL 105 far 0 56 0 - 6.8-47.8 HA2 GLY 111 - HB3 PRO 113 far 0 99 0 - 7.2-9.1 HA3 GLY 17 - HB VAL 105 far 0 56 0 - 7.3-46.1 HA3 GLY 111 - HB3 PRO 113 far 0 99 0 - 7.6-9.1 HA2 GLY 14 - HB VAL 105 far 0 66 0 - 7.8-47.5 HA2 GLY 14 - HB3 PRO 113 far 0 85 0 - 8.5-44.6 HB2 SER 106 - HB3 PRO 113 far 0 60 0 - 8.5-21.2 HA LEU 100 - HB VAL 105 far 0 56 0 - 8.7-10.3 HA3 GLY 14 - HB VAL 105 far 0 68 0 - 8.7-46.7 HD3 PRO 113 - HB VAL 105 far 0 85 0 - 9.2-20.5 HA3 GLY 14 - HB3 PRO 113 far 0 87 0 - 9.7-44.9 HA3 GLY 17 - HB3 PRO 113 far 0 73 0 - 9.9-44.0 Violated in 0 structures by 0.00 A. Peak 3609 from cnoeabs.peaks (8.57, 2.27, 31.81 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 114 + HB3 PRO 113 OK 100 100 100 100 3.1-3.4 3.9=100 H ARG 90 - HB VAL 132 far 4 73 5 - 5.6-8.3 Violated in 0 structures by 0.00 A. Peak 3610 from cnoeabs.peaks (4.37, 1.93, 27.46 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 113 + HG2 PRO 113 OK 100 100 100 100 3.9-3.9 3.8=100 HA THR 115 + HG2 PRO 113 OK 30 60 50 99 4.2-8.2 ~10189=44, ~10189=37...(21) HA SER 107 - HG2 PRO 113 far 0 90 0 - 8.6-17.9 HA PRO 117 - HG2 PRO 113 far 0 100 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 3611 from cnoeabs.peaks (1.91, 1.93, 27.46 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HG2 PRO 113 + HG2 PRO 113 OK 78 78 - 100 Reference assignment not found: HB2 PRO 113 - HG2 PRO 113 Peak 3612 from cnoeabs.peaks (2.27, 1.93, 27.46 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HG2 GLN 61 - HG2 PRO 113 far 0 99 0 - 8.2-19.0 Violated in 0 structures by 0.00 A. Peak 3613 from cnoeabs.peaks (1.93, 1.93, 27.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 113 + HG2 PRO 113 OK 100 100 - 100 Peak 3614 from cnoeabs.peaks (2.06, 1.93, 27.46 ppm; 2.86 A): 1 out of 9 assignments used, quality = 1.00: * HG3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 62 - HG2 PRO 113 far 0 100 0 - 6.5-14.5 HB3 GLU 55 - HG2 PRO 113 far 0 85 0 - 6.9-18.7 HG2 PRO 117 - HG2 PRO 113 far 0 99 0 - 7.2-13.9 HB VAL 57 - HG2 PRO 113 far 0 60 0 - 7.3-16.0 HG3 PRO 58 - HG2 PRO 113 far 0 97 0 - 7.6-16.6 HG3 PRO 117 - HG2 PRO 113 far 0 97 0 - 8.4-14.5 QE MET 11 - HG2 PRO 113 far 0 83 0 - 8.8-45.0 HB VAL 118 - HG2 PRO 113 far 0 100 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3615 from cnoeabs.peaks (3.70, 1.93, 27.46 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HG2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 3616 from cnoeabs.peaks (3.94, 1.93, 27.46 ppm; 4.04 A): 1 out of 11 assignments used, quality = 1.00: * HD3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 SER 107 - HG2 PRO 113 far 0 92 0 - 6.2-20.3 HB3 SER 107 - HG2 PRO 113 far 0 76 0 - 6.4-19.7 HB2 SER 60 - HG2 PRO 113 far 0 60 0 - 7.0-17.1 HA2 GLY 14 - HG2 PRO 113 far 0 85 0 - 7.1-47.2 HD3 PRO 117 - HG2 PRO 113 far 0 92 0 - 7.5-12.7 HB3 SER 60 - HG2 PRO 113 far 0 60 0 - 7.7-17.0 HA3 GLY 14 - HG2 PRO 113 far 0 87 0 - 7.8-47.5 HA2 GLY 111 - HG2 PRO 113 far 0 99 0 - 8.1-9.0 HA3 GLY 111 - HG2 PRO 113 far 0 99 0 - 8.3-9.0 HA LEU 100 - HG2 PRO 113 far 0 73 0 - 9.2-17.7 Violated in 0 structures by 0.00 A. Peak 3617 from cnoeabs.peaks (8.57, 1.93, 27.46 ppm; 6.09 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + HG2 PRO 113 OK 100 100 100 100 3.8-4.4 7593/2.3=100...(14) Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (4.37, 2.06, 27.46 ppm; 5.65 A): 6 out of 18 assignments used, quality = 1.00: * HA PRO 113 + HG3 PRO 113 OK 100 100 100 100 4.0-4.0 3.8=100 HA PRO 117 + HG2 PRO 117 OK 89 89 100 100 3.9-4.0 3.8=100 HA PRO 117 + HG3 PRO 117 OK 83 83 100 100 3.9-4.0 3.8=100 HA CYS 125 + HB2 GLN 127 OK 53 54 100 99 5.0-7.0 4.9/3966=72, 7839/4.7=65...(13) HA GLN 134 + HG3 PRO 81 OK 36 67 85 62 4.2-9.5 11759/10575=18...(11) HA THR 115 + HG3 PRO 113 OK 30 60 50 100 5.9-9.4 3.0/10189=84, ~11558=47...(17) HA ASP 47 - HB2 GLN 127 poor 18 33 55 - 5.0-8.3 HA THR 115 - HG2 PRO 117 poor 12 49 25 - 6.1-8.9 HA SER 107 - HG2 PRO 117 far 11 77 15 - 6.3-18.7 HA THR 115 - HG3 PRO 117 poor 9 44 20 - 5.0-8.8 HA PRO 113 - HG2 PRO 117 far 5 90 5 - 4.5-13.4 HA PRO 113 - HG3 PRO 117 far 4 84 5 - 5.2-13.4 HA PRO 113 - HG3 PRO 58 lone 1 60 40 3 4.8-14.6 3589/2.3=1 HA SER 107 - HG3 PRO 117 far 0 71 0 - 7.2-18.5 HA SER 107 - HG3 PRO 113 far 0 90 0 - 7.4-18.9 HA SER 107 - HG3 PRO 58 far 0 49 0 - 8.6-16.3 HA CYS 73 - HG3 PRO 81 far 0 77 0 - 8.8-13.1 HA ASP 78 - HG3 PRO 81 far 0 79 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 3619 from cnoeabs.peaks (1.91, 2.06, 27.46 ppm; 3.24 A): 2 out of 23 assignments used, quality = 1.00: * HB2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 113 + HG3 PRO 113 OK 78 78 100 100 1.8-1.8 1.8=100 HB2 ARG 135 - HG3 PRO 81 far 8 83 10 - 3.9-7.8 HB3 LEU 123 - HB2 GLN 127 far 3 35 10 - 4.6-7.7 HG LEU 53 - HB2 GLN 127 far 0 39 0 - 5.1-9.1 HB3 ARG 84 - HG3 PRO 81 far 0 85 0 - 5.5-10.8 HB3 LEU 49 - HB2 GLN 127 far 0 66 0 - 7.0-9.0 HB2 PRO 113 - HG2 PRO 117 far 0 90 0 - 7.1-12.9 HB2 PRO 113 - HG3 PRO 58 far 0 60 0 - 7.2-14.3 HG2 PRO 113 - HG2 PRO 117 far 0 65 0 - 7.2-13.9 HG2 PRO 113 - HG3 PRO 58 far 0 40 0 - 7.6-16.6 HB2 PRO 113 - HG3 PRO 117 far 0 84 0 - 7.9-13.0 HG LEU 53 - HG3 PRO 113 far 0 68 0 - 8.3-20.4 HG2 PRO 113 - HG3 PRO 117 far 0 59 0 - 8.4-14.5 HB3 LEU 48 - HB2 GLN 127 far 0 55 0 - 9.0-13.1 HG LEU 53 - HG3 PRO 58 far 0 34 0 - 9.1-14.2 HB2 GLU 40 - HG3 PRO 81 far 0 80 0 - 9.1-16.6 HB2 MET 11 - HG3 PRO 58 far 0 52 0 - 9.1-46.8 HB2 LYS 95 - HB2 GLN 127 far 0 37 0 - 9.2-12.8 HB3 LEU 123 - HG2 PRO 117 far 0 50 0 - 9.4-12.7 HB3 LEU 49 - HG3 PRO 58 far 0 58 0 - 9.6-12.7 HB2 LYS 95 - HG2 PRO 117 far 0 53 0 - 9.7-15.7 HB3 LEU 48 - HG3 PRO 58 far 0 49 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 3620 from cnoeabs.peaks (2.27, 2.06, 27.46 ppm; 3.23 A): 3 out of 9 assignments used, quality = 1.00: * HB3 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 81 + HG3 PRO 81 OK 67 67 100 100 2.3-3.0 2.3=100 HG2 GLN 61 + HG3 PRO 58 OK 42 58 85 85 2.2-5.3 10934/2.3=25, ~10935=22...(21) HB VAL 132 - HG3 PRO 81 far 4 85 5 - 4.2-8.4 HG2 GLU 30 - HG3 PRO 58 far 0 52 0 - 6.1-25.0 HB3 PRO 113 - HG2 PRO 117 far 0 90 0 - 6.4-14.2 HB3 PRO 113 - HG3 PRO 58 far 0 60 0 - 6.6-14.3 HB3 PRO 113 - HG3 PRO 117 far 0 84 0 - 7.0-14.3 HG2 GLN 61 - HG3 PRO 113 far 0 99 0 - 7.6-18.8 Violated in 0 structures by 0.00 A. Peak 3621 from cnoeabs.peaks (1.93, 2.06, 27.46 ppm; 2.63 A): 4 out of 24 assignments used, quality = 1.00: * HG2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 113 + HG3 PRO 113 OK 78 78 100 100 2.7-2.7 2.3=100 HB3 PRO 81 + HG3 PRO 81 OK 77 77 100 100 2.3-2.7 2.3=100 HB2 PRO 58 + HG3 PRO 58 OK 47 47 100 100 2.3-3.0 2.3=100 HB2 PRO 58 - HG3 PRO 113 far 4 89 5 - 4.1-14.8 HG LEU 53 - HB2 GLN 127 far 0 67 0 - 5.1-9.1 HB3 LYS 86 - HG3 PRO 81 far 0 59 0 - 5.3-9.9 HB3 ARG 84 - HG3 PRO 81 far 0 48 0 - 5.5-10.8 HB2 GLU 30 - HG3 PRO 58 far 0 37 0 - 6.6-27.3 HB3 LEU 49 - HB2 GLN 127 far 0 55 0 - 7.0-9.0 HB2 PRO 113 - HG2 PRO 117 far 0 65 0 - 7.1-12.9 HB2 PRO 113 - HG3 PRO 58 far 0 40 0 - 7.2-14.3 HG2 PRO 113 - HG2 PRO 117 far 0 90 0 - 7.2-13.9 HG2 PRO 113 - HG3 PRO 58 far 0 60 0 - 7.6-16.6 HB2 PRO 113 - HG3 PRO 117 far 0 59 0 - 7.9-13.0 HB3 LYS 95 - HG2 PRO 117 far 0 87 0 - 8.2-14.1 HG LEU 53 - HG3 PRO 113 far 0 100 0 - 8.3-20.4 HG2 PRO 113 - HG3 PRO 117 far 0 84 0 - 8.4-14.5 HG LEU 53 - HG3 PRO 58 far 0 59 0 - 9.1-14.2 HB2 MET 11 - HG3 PRO 58 far 0 56 0 - 9.1-46.8 HB3 LYS 95 - HG3 PRO 117 far 0 81 0 - 9.2-14.2 HB2 LYS 95 - HB2 GLN 127 far 0 66 0 - 9.2-12.8 HB3 LEU 49 - HG3 PRO 58 far 0 49 0 - 9.6-12.7 HB2 LYS 95 - HG2 PRO 117 far 0 89 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 3622 from cnoeabs.peaks (2.06, 2.06, 27.46 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG3 PRO 113 + HG3 PRO 113 OK 100 100 - 100 HG2 PRO 117 + HG2 PRO 117 OK 88 88 - 100 HG3 PRO 81 + HG3 PRO 81 OK 82 82 - 100 HG3 PRO 117 + HG3 PRO 117 OK 79 79 - 100 HB2 GLN 127 + HB2 GLN 127 OK 67 67 - 100 HG3 PRO 58 + HG3 PRO 58 OK 54 54 - 100 Peak 3623 from cnoeabs.peaks (3.70, 2.06, 27.46 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HD2 PRO 113 - HG2 PRO 117 far 0 90 0 - 5.9-14.5 HD2 PRO 113 - HG3 PRO 117 far 0 84 0 - 7.2-14.7 HD2 PRO 113 - HG3 PRO 58 far 0 60 0 - 7.8-17.7 Violated in 0 structures by 0.00 A. Peak 3624 from cnoeabs.peaks (3.94, 2.06, 27.46 ppm; 3.93 A): 3 out of 39 assignments used, quality = 1.00: * HD3 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 117 + HG2 PRO 117 OK 78 78 100 100 2.3-3.0 2.3=100 HD3 PRO 117 + HG3 PRO 117 OK 72 72 100 100 2.3-3.0 2.3=100 HB2 SER 60 - HG3 PRO 58 poor 11 29 90 42 3.2-5.5 ~1074=10, ~2638=8...(10) HB3 SER 60 - HG3 PRO 58 poor 10 29 85 41 3.2-5.8 ~1074=10, ~2638=8...(10) HA2 GLY 111 - HG3 PRO 58 far 9 58 15 - 4.6-19.2 HB2 SER 107 - HG3 PRO 113 far 5 92 5 - 5.0-20.6 HA2 GLY 111 - HG2 PRO 117 far 4 88 5 - 3.8-17.8 HA3 GLY 111 - HG2 PRO 117 far 4 87 5 - 2.5-17.9 HA2 GLY 111 - HG3 PRO 117 far 4 82 5 - 4.8-17.6 HA3 GLY 111 - HG3 PRO 117 far 4 81 5 - 3.4-17.8 HB3 SER 107 - HG3 PRO 113 far 4 76 5 - 5.4-20.5 HB3 SER 107 - HG2 PRO 117 far 3 63 5 - 5.3-19.9 HB3 SER 107 - HG3 PRO 117 far 3 57 5 - 5.4-19.7 HA2 GLY 17 - HG3 PRO 58 far 2 37 5 - 4.4-38.3 HB2 SER 107 - HG2 PRO 117 far 0 78 0 - 5.5-20.5 HB2 SER 107 - HG3 PRO 117 far 0 72 0 - 5.6-20.4 HD3 PRO 113 - HG2 PRO 117 far 0 90 0 - 5.7-15.0 HA3 GLY 17 - HG3 PRO 58 far 0 37 0 - 5.9-36.7 HA3 GLY 111 - HG3 PRO 58 far 0 57 0 - 6.0-19.0 HA2 GLY 14 - HG3 PRO 113 far 0 85 0 - 6.4-46.9 HD3 PRO 113 - HG3 PRO 58 far 0 60 0 - 6.5-16.9 HD3 PRO 113 - HG3 PRO 117 far 0 84 0 - 6.6-15.0 HA LEU 100 - HG2 PRO 117 far 0 60 0 - 6.9-13.2 HB2 SER 60 - HG3 PRO 113 far 0 60 0 - 7.1-16.4 HA LEU 100 - HG3 PRO 117 far 0 55 0 - 7.3-14.8 HA3 GLY 14 - HG3 PRO 113 far 0 87 0 - 7.5-47.1 HB3 SER 60 - HG3 PRO 113 far 0 60 0 - 7.5-16.6 HD3 PRO 117 - HG3 PRO 113 far 0 92 0 - 7.6-13.3 HA2 GLY 111 - HG3 PRO 113 far 0 99 0 - 7.7-9.3 HA3 GLY 111 - HG3 PRO 113 far 0 99 0 - 7.7-9.4 HA LEU 100 - HG3 PRO 113 far 0 73 0 - 7.9-17.8 HA2 GLY 14 - HG3 PRO 58 far 0 44 0 - 8.4-38.0 HB2 SER 51 - HB2 GLN 127 far 0 66 0 - 8.6-12.4 HB2 SER 106 - HG2 PRO 117 far 0 49 0 - 8.7-19.0 HB2 SER 106 - HG3 PRO 113 far 0 60 0 - 9.1-20.9 HB2 SER 106 - HG3 PRO 117 far 0 44 0 - 9.1-19.4 HB2 SER 106 - HG3 PRO 58 far 0 29 0 - 9.3-19.5 HA3 GLY 14 - HG3 PRO 58 far 0 46 0 - 9.8-36.9 Violated in 0 structures by 0.00 A. Peak 3625 from cnoeabs.peaks (8.57, 2.06, 27.46 ppm; 5.03 A): 1 out of 5 assignments used, quality = 1.00: * H GLY 114 + HG3 PRO 113 OK 100 100 100 100 4.5-5.1 7595=100, 7593/2.3=97...(13) H GLY 114 - HG3 PRO 58 poor 12 60 20 - 6.0-14.2 H GLY 114 - HG2 PRO 117 far 0 90 0 - 6.6-11.8 H GLY 114 - HG3 PRO 117 far 0 84 0 - 7.4-12.0 H ARG 90 - HG3 PRO 81 far 0 86 0 - 8.8-11.0 Violated in 1 structures by 0.00 A. Peak 3626 from cnoeabs.peaks (8.57, 3.88, 45.18 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + HA2 GLY 114 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3627 from cnoeabs.peaks (3.88, 3.88, 45.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 114 + HA2 GLY 114 OK 100 100 - 100 Peak 3628 from cnoeabs.peaks (4.12, 3.88, 45.18 ppm; 2.51 A): 1 out of 2 assignments used, quality = 1.00: * HA3 GLY 114 + HA2 GLY 114 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 52 - HA2 GLY 114 far 0 99 0 - 9.3-15.9 Violated in 0 structures by 0.00 A. Peak 3629 from cnoeabs.peaks (7.90, 3.88, 45.18 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * H THR 115 + HA2 GLY 114 OK 100 100 100 100 2.6-3.6 3.6=100 HD22 ASN 116 + HA2 GLY 114 OK 21 96 55 41 3.4-9.4 10222/10163=18...(6) Violated in 0 structures by 0.00 A. Peak 3630 from cnoeabs.peaks (8.57, 4.12, 45.18 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + HA3 GLY 114 OK 100 100 100 100 2.3-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 3631 from cnoeabs.peaks (3.88, 4.12, 45.18 ppm; 2.57 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 114 + HA3 GLY 114 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HA3 GLY 114 far 0 76 0 - 5.7-10.1 HB3 SER 60 - HA3 GLY 114 far 0 68 0 - 7.1-17.8 HB2 SER 60 - HA3 GLY 114 far 0 68 0 - 7.7-17.4 Violated in 0 structures by 0.00 A. Peak 3632 from cnoeabs.peaks (4.12, 4.12, 45.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 114 + HA3 GLY 114 OK 100 100 - 100 Peak 3633 from cnoeabs.peaks (7.90, 4.12, 45.18 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H THR 115 + HA3 GLY 114 OK 100 100 100 100 2.6-3.6 3.6=100 HD22 ASN 116 - HA3 GLY 114 poor 19 96 20 - 3.9-9.8 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (7.90, 4.40, 61.68 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * H THR 115 + HA THR 115 OK 100 100 100 100 2.7-2.9 3.0=100 HD22 ASN 116 - HA THR 115 far 5 96 5 - 4.1-7.3 Violated in 0 structures by 0.00 A. Peak 3635 from cnoeabs.peaks (4.40, 4.40, 61.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 115 + HA THR 115 OK 100 100 - 100 Peak 3636 from cnoeabs.peaks (4.27, 4.40, 61.68 ppm; 2.79 A): 1 out of 4 assignments used, quality = 0.99: * HB THR 115 + HA THR 115 OK 99 100 100 99 2.3-2.6 3.0=79, 2.1/3637=56...(13) HA ALA 109 - HA THR 115 far 0 100 0 - 7.6-15.7 HA ALA 110 - HA THR 115 far 0 97 0 - 7.9-15.8 HA ALA 108 - HA THR 115 far 0 100 0 - 9.4-18.4 Violated in 0 structures by 0.00 A. Peak 3637 from cnoeabs.peaks (1.13, 4.40, 61.68 ppm; 2.99 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 115 + HA THR 115 OK 100 100 100 100 2.4-3.2 3.2=81, 2.1/3636=66...(14) HB3 LEU 62 - HA THR 115 far 0 97 0 - 9.5-15.4 Violated in 16 structures by 0.17 A. Peak 3638 from cnoeabs.peaks (8.45, 4.40, 61.68 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HA THR 115 OK 100 100 100 100 2.8-3.5 3.6=82, 7608/3.0=59...(17) Violated in 14 structures by 0.08 A. Peak 3639 from cnoeabs.peaks (7.90, 4.27, 69.69 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * H THR 115 + HB THR 115 OK 100 100 100 100 2.5-3.7 7606=100, 7607/2.1=88...(12) HD22 ASN 116 - HB THR 115 far 10 96 10 - 4.4-8.2 Violated in 0 structures by 0.00 A. Peak 3640 from cnoeabs.peaks (4.40, 4.27, 69.69 ppm; 3.15 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 115 + HB THR 115 OK 100 100 100 100 2.3-2.6 3.0=100 HA PRO 113 - HB THR 115 far 0 60 0 - 4.8-7.3 HA VAL 112 - HB THR 115 far 0 81 0 - 5.0-7.7 Violated in 0 structures by 0.00 A. Peak 3641 from cnoeabs.peaks (4.27, 4.27, 69.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 115 + HB THR 115 OK 100 100 - 100 Peak 3642 from cnoeabs.peaks (1.13, 4.27, 69.69 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + HB THR 115 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3643 from cnoeabs.peaks (8.45, 4.27, 69.69 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HB THR 115 OK 100 100 100 100 2.5-4.6 7612=100, 3638/3636=76...(11) Violated in 16 structures by 0.18 A. Peak 3644 from cnoeabs.peaks (7.90, 1.13, 21.32 ppm; 3.40 A): 2 out of 4 assignments used, quality = 1.00: * H THR 115 + QG2 THR 115 OK 100 100 100 100 1.8-2.9 7607=100, 3.0/3637=62...(17) HD22 ASN 116 + QG2 THR 115 OK 25 96 40 65 2.8-7.1 3.5/10184=24...(9) H GLN 104 - QG2 THR 115 far 0 99 0 - 7.4-12.6 H SER 106 - QG2 THR 115 far 0 99 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 3645 from cnoeabs.peaks (4.40, 1.13, 21.32 ppm; 3.24 A): 3 out of 6 assignments used, quality = 1.00: * HA THR 115 + QG2 THR 115 OK 100 100 100 100 2.4-3.2 3.2=100 HA VAL 112 + QG2 THR 115 OK 63 81 80 98 3.9-4.9 3.2/10194=55...(18) HA PRO 113 + QG2 THR 115 OK 35 60 70 84 3.5-4.9 3.6/10159=26...(14) HA ASN 120 - QG2 THR 115 far 0 73 0 - 8.7-11.9 HA SER 107 - QG2 THR 115 far 0 95 0 - 8.8-13.7 HA THR 54 - QG2 THR 115 far 0 76 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 3646 from cnoeabs.peaks (4.27, 1.13, 21.32 ppm; 2.84 A): 1 out of 11 assignments used, quality = 1.00: * HB THR 115 + QG2 THR 115 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 110 - QG2 THR 115 far 10 97 10 - 3.9-10.3 HA ALA 109 - QG2 THR 115 far 5 100 5 - 4.0-10.2 HA ALA 108 - QG2 THR 115 far 0 100 0 - 5.2-12.4 HA ALA 16 - QG2 THR 115 far 0 100 0 - 6.6-41.6 HA ALA 15 - QG2 THR 115 far 0 97 0 - 7.7-43.9 HA LYS 26 - QG2 THR 115 far 0 100 0 - 8.6-28.0 HA ALA 21 - QG2 THR 115 far 0 90 0 - 9.4-37.2 HA THR 18 - QG2 THR 115 far 0 87 0 - 9.6-40.8 HA GLN 61 - QG2 THR 115 far 0 99 0 - 9.9-16.7 HA GLN 27 - QG2 THR 115 far 0 57 0 - 10.0-26.1 Violated in 0 structures by 0.00 A. Peak 3647 from cnoeabs.peaks (1.13, 1.13, 21.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + QG2 THR 115 OK 100 100 - 100 Peak 3648 from cnoeabs.peaks (8.45, 1.13, 21.32 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + QG2 THR 115 OK 100 100 100 100 2.0-3.8 4.2=100 Violated in 0 structures by 0.00 A. Peak 3649 from cnoeabs.peaks (8.45, 4.97, 51.55 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HA ASN 116 OK 100 100 100 100 2.5-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3650 from cnoeabs.peaks (4.97, 4.97, 51.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HA ASN 116 OK 100 100 - 100 Peak 3651 from cnoeabs.peaks (2.85, 4.97, 51.55 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HA ASN 116 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 59 - HA ASN 116 far 7 73 10 - 4.8-16.5 Violated in 0 structures by 0.00 A. Peak 3652 from cnoeabs.peaks (2.93, 4.97, 51.55 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 116 + HA ASN 116 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HA ASN 116 far 0 63 0 - 9.5-38.4 Violated in 0 structures by 0.00 A. Peak 3654 from cnoeabs.peaks (7.92, 4.97, 51.55 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * HD22 ASN 116 + HA ASN 116 OK 100 100 100 100 1.8-5.1 4.6=100 H THR 115 + HA ASN 116 OK 96 96 100 100 3.8-5.4 3.0/10177=96...(15) H VAL 112 + HA ASN 116 OK 29 87 40 83 4.3-11.5 11501/10179=63...(5) H GLN 104 - HA ASN 116 far 12 83 15 - 7.8-14.7 H SER 106 - HA ASN 116 far 0 87 0 - 8.8-14.2 Violated in 0 structures by 0.00 A. Peak 3655 from cnoeabs.peaks (8.45, 2.85, 38.95 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.99: * H ASN 116 + HB2 ASN 116 OK 99 100 100 99 2.1-3.5 4.0=99 Violated in 0 structures by 0.00 A. Peak 3656 from cnoeabs.peaks (4.97, 2.85, 38.95 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HB2 ASN 116 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3657 from cnoeabs.peaks (2.85, 2.85, 38.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 116 + HB2 ASN 116 OK 100 100 - 100 Peak 3658 from cnoeabs.peaks (2.93, 2.85, 38.95 ppm; 2.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 116 + HB2 ASN 116 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 24 - HB2 ASN 116 far 0 63 0 - 8.8-36.0 HE2 LYS 24 - HB2 ASN 116 far 0 78 0 - 9.3-34.7 Violated in 0 structures by 0.00 A. Peak 3659 from cnoeabs.peaks (7.01, 2.85, 38.95 ppm; 6.27 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 116 + HB2 ASN 116 OK 100 100 100 100 2.3-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 3660 from cnoeabs.peaks (7.92, 2.85, 38.95 ppm; 4.50 A): 2 out of 5 assignments used, quality = 1.00: * HD22 ASN 116 + HB2 ASN 116 OK 100 100 100 100 2.1-4.1 3.5=100 H THR 115 + HB2 ASN 116 OK 95 96 100 100 3.8-5.3 7608/7615=77, 10173=69...(13) H VAL 112 - HB2 ASN 116 far 13 87 15 - 3.5-9.9 H GLN 104 - HB2 ASN 116 far 0 83 0 - 6.2-11.9 H SER 106 - HB2 ASN 116 far 0 87 0 - 7.9-12.6 Violated in 0 structures by 0.00 A. Peak 3661 from cnoeabs.peaks (8.45, 2.93, 38.95 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + HB3 ASN 116 OK 100 100 100 100 2.8-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 3662 from cnoeabs.peaks (4.97, 2.93, 38.95 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HB3 ASN 116 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3663 from cnoeabs.peaks (2.85, 2.93, 38.95 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HB3 ASN 116 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 59 - HB3 ASN 116 far 7 73 10 - 4.0-15.7 Violated in 0 structures by 0.00 A. Peak 3664 from cnoeabs.peaks (2.93, 2.93, 38.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 116 + HB3 ASN 116 OK 100 100 - 100 Peak 3665 from cnoeabs.peaks (7.01, 2.93, 38.95 ppm; 6.36 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 116 + HB3 ASN 116 OK 100 100 100 100 2.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3666 from cnoeabs.peaks (7.92, 2.93, 38.95 ppm; 4.72 A): 2 out of 6 assignments used, quality = 1.00: * HD22 ASN 116 + HB3 ASN 116 OK 100 100 100 100 3.3-4.1 3.5=100 H THR 115 + HB3 ASN 116 OK 95 96 100 100 4.9-6.0 7608/7616=81...(11) H VAL 112 - HB3 ASN 116 poor 17 87 20 - 4.3-11.1 H GLN 104 - HB3 ASN 116 far 12 83 15 - 5.8-13.0 H SER 106 - HB3 ASN 116 far 0 87 0 - 8.0-13.2 H SER 124 - HB3 ASN 116 far 0 60 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 3667 from cnoeabs.peaks (4.97, 3.86, 51.04 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.99: * HA ASN 116 + HD2 PRO 117 OK 99 100 100 99 2.0-2.9 3.8=99 Violated in 0 structures by 0.00 A. Peak 3668 from cnoeabs.peaks (3.86, 4.97, 51.55 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 117 + HA ASN 116 OK 100 100 100 100 2.0-2.9 3667=100, 1.8/3670=71...(25) HA2 GLY 114 - HA ASN 116 far 0 76 0 - 5.7-7.7 HA LEU 62 - HA ASN 116 far 0 93 0 - 8.7-19.0 Violated in 0 structures by 0.00 A. Peak 3669 from cnoeabs.peaks (4.97, 3.95, 51.04 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 116 + HD3 PRO 117 OK 100 100 100 100 1.9-2.4 3.8=100 HA ASN 116 - HD3 PRO 113 far 0 74 0 - 7.2-11.1 Violated in 0 structures by 0.00 A. Peak 3670 from cnoeabs.peaks (3.95, 4.97, 51.55 ppm; 3.45 A): 1 out of 9 assignments used, quality = 1.00: * HD3 PRO 117 + HA ASN 116 OK 100 100 100 100 1.9-2.4 3669=98, 1.8/3667=73...(27) HB2 SER 107 - HA ASN 116 far 0 57 0 - 5.1-17.3 HA2 GLY 111 - HA ASN 116 far 0 81 0 - 5.2-13.5 HB3 SER 107 - HA ASN 116 far 0 99 0 - 5.6-17.1 HA3 GLY 111 - HA ASN 116 far 0 99 0 - 5.8-13.6 HD3 PRO 113 - HA ASN 116 far 0 92 0 - 7.2-11.1 HB3 SER 106 - HA ASN 116 far 0 68 0 - 7.5-17.2 HA LEU 100 - HA ASN 116 far 0 98 0 - 7.8-13.1 HB2 SER 106 - HA ASN 116 far 0 93 0 - 8.0-16.8 Violated in 0 structures by 0.00 A. Peak 3671 from cnoeabs.peaks (4.37, 3.86, 51.04 ppm; 4.69 A): 2 out of 7 assignments used, quality = 1.00: * HA PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.6-4.1 3.6=100 HA PRO 81 + HD2 PRO 81 OK 46 46 100 100 3.6-4.1 3.6=100 HA PRO 113 - HD2 PRO 117 far 5 100 5 - 3.7-11.4 HA GLN 134 - HD2 PRO 81 far 4 80 5 - 5.6-9.2 HA CYS 73 - HD2 PRO 81 far 0 73 0 - 7.4-11.0 HA ASP 78 - HD2 PRO 81 far 0 75 0 - 8.1-8.7 HA SER 107 - HD2 PRO 117 far 0 81 0 - 8.3-17.6 Violated in 0 structures by 0.00 A. Peak 3672 from cnoeabs.peaks (2.36, 3.86, 51.04 ppm; 5.26 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.0-3.9 3.0=100 HB VAL 77 - HD2 PRO 81 far 0 53 0 - 7.3-9.1 HG2 GLU 102 - HD2 PRO 117 far 0 100 0 - 7.7-13.7 Violated in 0 structures by 0.00 A. Peak 3673 from cnoeabs.peaks (2.01, 3.86, 51.04 ppm; 4.12 A): 2 out of 7 assignments used, quality = 1.00: * HB3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.0-4.0 3.0=100 HG2 PRO 81 + HD2 PRO 81 OK 85 85 100 100 2.3-3.0 2.3=100 HG3 ARG 135 - HD2 PRO 81 far 0 60 0 - 5.9-8.6 HG2 ARG 90 - HD2 PRO 81 far 0 80 0 - 7.0-12.3 HB2 GLN 134 - HD2 PRO 81 far 0 83 0 - 7.6-11.1 HB ILE 129 - HD2 PRO 81 far 0 89 0 - 8.3-11.4 HB3 GLU 40 - HD2 PRO 81 far 0 53 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 3674 from cnoeabs.peaks (2.05, 3.86, 51.04 ppm; 4.37 A): 4 out of 11 assignments used, quality = 1.00: * HG2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 81 + HD2 PRO 81 OK 90 90 100 100 2.3-2.7 2.3=100 HB VAL 118 + HD2 PRO 117 OK 40 100 40 100 4.5-6.4 11542/3.6=51...(23) HB3 LYS 39 - HD2 PRO 81 poor 12 58 35 57 3.7-9.9 2487/1.8=12, 4.9/10239=8...(15) HG3 ARG 135 - HD2 PRO 81 far 0 67 0 - 5.9-8.6 HG3 GLN 134 - HD2 PRO 81 far 0 51 0 - 6.5-10.6 HG3 PRO 113 - HD2 PRO 117 far 0 99 0 - 7.5-13.6 HB2 GLU 102 - HD2 PRO 117 far 0 63 0 - 7.8-12.4 HB2 LEU 62 - HD2 PRO 117 far 0 100 0 - 9.4-18.0 HB3 GLU 40 - HD2 PRO 81 far 0 73 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 3675 from cnoeabs.peaks (2.05, 3.86, 51.04 ppm; 4.40 A): 4 out of 11 assignments used, quality = 1.00: * HG3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 81 + HD2 PRO 81 OK 90 90 100 100 2.3-2.7 2.3=100 HB VAL 118 + HD2 PRO 117 OK 45 99 45 100 4.5-6.4 11542/3.6=51...(23) HB3 LYS 39 - HD2 PRO 81 poor 18 51 35 - 3.7-9.9 HG3 ARG 135 - HD2 PRO 81 far 4 73 5 - 5.9-8.6 HG2 ARG 90 - HD2 PRO 81 far 0 51 0 - 7.0-12.3 HG3 PRO 113 - HD2 PRO 117 far 0 97 0 - 7.5-13.6 HB2 GLN 134 - HD2 PRO 81 far 0 46 0 - 7.6-11.1 HB2 LEU 62 - HD2 PRO 117 far 0 99 0 - 9.4-18.0 HB3 GLU 40 - HD2 PRO 81 far 0 78 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 3676 from cnoeabs.peaks (3.86, 3.86, 51.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 117 + HD2 PRO 117 OK 100 100 - 100 HD2 PRO 81 + HD2 PRO 81 OK 87 87 - 100 Peak 3677 from cnoeabs.peaks (3.95, 3.86, 51.04 ppm; 3.35 A): 1 out of 9 assignments used, quality = 1.00: * HD3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 111 - HD2 PRO 117 far 5 99 5 - 4.4-15.8 HA2 GLY 111 - HD2 PRO 117 far 0 81 0 - 5.8-15.6 HD3 PRO 113 - HD2 PRO 117 far 0 92 0 - 6.3-13.2 HB2 SER 107 - HD2 PRO 117 far 0 57 0 - 6.5-19.4 HB3 SER 107 - HD2 PRO 117 far 0 99 0 - 6.8-19.0 HA LEU 100 - HD2 PRO 117 far 0 98 0 - 7.6-12.9 HB3 SER 106 - HD2 PRO 117 far 0 68 0 - 9.0-19.1 HB2 SER 106 - HD2 PRO 117 far 0 93 0 - 9.4-18.7 Violated in 0 structures by 0.00 A. Peak 3678 from cnoeabs.peaks (7.75, 3.86, 51.04 ppm; 5.14 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 118 + HD2 PRO 117 OK 100 100 100 100 2.7-4.3 7637=100, 10251/3667=65...(14) HD22 ASN 121 + HD2 PRO 117 OK 36 71 55 93 4.7-10.4 3710/3.0=23, 3702/3.0=19...(22) Violated in 0 structures by 0.00 A. Peak 3679 from cnoeabs.peaks (4.37, 3.95, 51.04 ppm; 5.97 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 117 + HD3 PRO 117 OK 100 100 100 100 3.6-4.1 3.6=100 HA PRO 113 + HD3 PRO 113 OK 73 73 100 100 3.6-3.6 3.6=100 HA SER 107 - HD3 PRO 117 poor 16 81 20 - 6.6-16.7 HA PRO 113 - HD3 PRO 117 poor 11 100 35 32 3.8-11.4 11588/3670=13...(5) HA SER 107 - HD3 PRO 113 far 3 53 5 - 6.6-17.1 HA PRO 117 - HD3 PRO 113 far 0 74 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3680 from cnoeabs.peaks (2.36, 3.95, 51.04 ppm; 5.21 A): 1 out of 7 assignments used, quality = 1.00: * HB2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 3.0-4.0 3.0=100 HG2 GLU 102 - HD3 PRO 117 far 0 100 0 - 7.2-13.9 HB2 PRO 117 - HD3 PRO 113 far 0 74 0 - 7.8-15.1 HG2 GLN 27 - HD3 PRO 113 far 0 70 0 - 8.7-31.6 HG3 GLN 27 - HD3 PRO 113 far 0 74 0 - 8.8-30.4 HG2 GLN 104 - HD3 PRO 113 far 0 55 0 - 9.6-19.3 HG2 GLN 104 - HD3 PRO 117 far 0 83 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 3681 from cnoeabs.peaks (2.01, 3.95, 51.04 ppm; 4.91 A): 1 out of 9 assignments used, quality = 1.00: * HB3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 3.9-4.0 3.0=100 HB3 PRO 56 - HD3 PRO 113 poor 14 71 20 - 2.2-16.0 HG2 PRO 56 - HD3 PRO 113 far 7 74 10 - 4.1-18.1 HG3 PRO 56 - HD3 PRO 113 far 4 74 5 - 3.5-17.7 HG2 PRO 58 - HD3 PRO 113 far 0 58 0 - 6.8-17.5 HB2 GLU 55 - HD3 PRO 113 far 0 58 0 - 7.1-19.3 HB3 PRO 117 - HD3 PRO 113 far 0 74 0 - 8.2-15.2 HB VAL 63 - HD3 PRO 113 far 0 66 0 - 8.3-15.7 HB3 LEU 53 - HD3 PRO 113 far 0 63 0 - 10.0-19.6 Violated in 0 structures by 0.00 A. Peak 3682 from cnoeabs.peaks (2.05, 3.95, 51.04 ppm; 4.15 A): 4 out of 16 assignments used, quality = 1.00: * HG2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 118 + HD3 PRO 117 OK 74 100 75 98 4.1-6.2 11542/3.6=46, ~11590=38...(22) HG3 PRO 113 + HD3 PRO 113 OK 72 72 100 100 2.3-2.3 2.3=100 HG2 PRO 117 - HD3 PRO 113 far 0 74 0 - 5.7-15.0 HG3 PRO 58 - HD3 PRO 113 far 0 58 0 - 6.5-16.9 HG3 PRO 117 - HD3 PRO 113 far 0 74 0 - 6.6-15.0 HG2 PRO 58 - HD3 PRO 113 far 0 41 0 - 6.8-17.5 HB3 GLU 55 - HD3 PRO 113 far 0 67 0 - 6.9-19.1 HB2 LEU 62 - HD3 PRO 113 far 0 74 0 - 7.0-13.9 HB2 GLU 102 - HD3 PRO 117 far 0 63 0 - 7.1-14.0 HG3 PRO 113 - HD3 PRO 117 far 0 99 0 - 7.6-13.3 QE MET 11 - HD3 PRO 113 far 0 66 0 - 8.1-45.5 HB2 LEU 62 - HD3 PRO 117 far 0 100 0 - 8.2-18.7 HB VAL 118 - HD3 PRO 113 far 0 74 0 - 8.6-13.8 HB2 GLU 102 - HD3 PRO 113 far 0 39 0 - 9.0-20.4 Violated in 0 structures by 0.00 A. Peak 3683 from cnoeabs.peaks (2.05, 3.95, 51.04 ppm; 4.15 A): 4 out of 15 assignments used, quality = 1.00: * HG3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 118 + HD3 PRO 117 OK 73 99 75 98 4.1-6.2 11542/3.6=46, ~11590=38...(22) HG3 PRO 113 + HD3 PRO 113 OK 69 69 100 100 2.3-2.3 2.3=100 HG2 PRO 117 - HD3 PRO 113 far 0 74 0 - 5.7-15.0 HG3 PRO 58 - HD3 PRO 113 far 0 53 0 - 6.5-16.9 HG3 PRO 117 - HD3 PRO 113 far 0 74 0 - 6.6-15.0 HG2 PRO 58 - HD3 PRO 113 far 0 47 0 - 6.8-17.5 HB3 GLU 55 - HD3 PRO 113 far 0 70 0 - 6.9-19.1 HB2 LEU 62 - HD3 PRO 113 far 0 72 0 - 7.0-13.9 HG3 PRO 113 - HD3 PRO 117 far 0 97 0 - 7.6-13.3 QE MET 11 - HD3 PRO 113 far 0 69 0 - 8.1-45.5 HB2 LEU 62 - HD3 PRO 117 far 0 99 0 - 8.2-18.7 HB VAL 63 - HD3 PRO 113 far 0 37 0 - 8.3-15.7 HB VAL 118 - HD3 PRO 113 far 0 72 0 - 8.6-13.8 Violated in 0 structures by 0.00 A. Peak 3684 from cnoeabs.peaks (3.86, 3.95, 51.04 ppm; 3.39 A): 1 out of 6 assignments used, quality = 1.00: * HD2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HD3 PRO 113 far 0 74 0 - 6.3-13.2 HA2 GLY 114 - HD3 PRO 113 far 0 49 0 - 6.6-7.5 HA2 GLY 114 - HD3 PRO 117 far 0 76 0 - 6.7-9.4 HA LEU 62 - HD3 PRO 113 far 0 64 0 - 9.2-16.2 HA LEU 62 - HD3 PRO 117 far 0 93 0 - 10.0-20.2 Violated in 0 structures by 0.00 A. Peak 3685 from cnoeabs.peaks (3.95, 3.95, 51.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 117 + HD3 PRO 117 OK 100 100 - 100 HD3 PRO 113 + HD3 PRO 113 OK 63 63 - 100 Peak 3686 from cnoeabs.peaks (7.75, 3.95, 51.04 ppm; 5.89 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 118 + HD3 PRO 117 OK 100 100 100 100 2.6-3.9 7637/1.8=98...(14) HD22 ASN 121 + HD3 PRO 117 OK 38 71 55 97 4.7-10.1 3710/3.0=26, 3678/1.8=25...(20) H GLU 55 - HD3 PRO 113 far 4 74 5 - 6.1-18.1 H VAL 118 - HD3 PRO 113 far 0 74 0 - 8.4-13.7 HD22 ASN 121 - HD3 PRO 113 far 0 45 0 - 9.6-19.8 Violated in 0 structures by 0.00 A. Peak 3687 from cnoeabs.peaks (4.37, 4.37, 64.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 117 + HA PRO 117 OK 100 100 - 100 Peak 3688 from cnoeabs.peaks (2.36, 4.37, 64.81 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 117 + HA PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 3689 from cnoeabs.peaks (2.01, 4.37, 64.81 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 117 + HA PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 56 - HA PRO 117 far 0 99 0 - 8.8-18.6 HB3 LEU 53 - HA PRO 117 far 0 92 0 - 9.3-15.6 Violated in 0 structures by 0.00 A. Peak 3690 from cnoeabs.peaks (2.05, 4.37, 64.81 ppm; 4.29 A): 3 out of 5 assignments used, quality = 1.00: * HG2 PRO 117 + HA PRO 117 OK 100 100 100 100 3.9-4.0 3.8=100 HG3 PRO 117 + HA PRO 117 OK 100 100 100 100 3.9-4.0 3.8=100 HB VAL 118 + HA PRO 117 OK 95 100 95 100 5.3-5.9 11542=69, 3736/3.6=49...(16) HB2 LEU 62 - HA PRO 117 far 0 100 0 - 8.2-16.3 HB2 GLU 102 - HA PRO 117 far 0 63 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 3691 from cnoeabs.peaks (2.05, 4.37, 64.81 ppm; 4.32 A): 3 out of 4 assignments used, quality = 1.00: * HG3 PRO 117 + HA PRO 117 OK 100 100 100 100 3.9-4.0 3.8=100 HG2 PRO 117 + HA PRO 117 OK 100 100 100 100 3.9-4.0 3.8=100 HB VAL 118 + HA PRO 117 OK 94 99 95 100 5.3-5.9 11542=70, ~11590=49...(16) HB2 LEU 62 - HA PRO 117 far 0 99 0 - 8.2-16.3 Violated in 0 structures by 0.00 A. Peak 3692 from cnoeabs.peaks (3.86, 4.37, 64.81 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 117 + HA PRO 117 OK 100 100 100 100 3.6-4.1 3.6=100 HA2 GLY 114 - HA PRO 117 lone 0 76 35 1 5.6-9.2 Violated in 0 structures by 0.00 A. Peak 3693 from cnoeabs.peaks (3.95, 4.37, 64.81 ppm; 4.87 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 117 + HA PRO 117 OK 100 100 100 100 3.6-4.1 3.6=100 HA3 GLY 111 - HA PRO 117 far 5 99 5 - 4.3-17.0 HA2 GLY 111 - HA PRO 117 far 4 81 5 - 6.0-16.5 HB3 SER 107 - HA PRO 117 far 0 99 0 - 8.1-19.9 HB2 SER 107 - HA PRO 117 far 0 57 0 - 8.4-20.5 HA LEU 100 - HA PRO 117 far 0 98 0 - 8.8-12.7 HD3 PRO 113 - HA PRO 117 far 0 92 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3694 from cnoeabs.peaks (7.75, 4.37, 64.81 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 118 + HA PRO 117 OK 100 100 100 100 3.1-3.6 3.6=100 HD22 ASN 121 + HA PRO 117 OK 37 71 55 95 3.9-9.0 3710/2.3=22...(23) H GLU 55 - HA PRO 117 far 0 100 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 3695 from cnoeabs.peaks (4.37, 2.36, 32.10 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HA PRO 113 - HB2 PRO 117 far 0 100 0 - 6.3-13.2 HA SER 107 - HB2 PRO 117 far 0 81 0 - 9.1-19.1 Violated in 0 structures by 0.00 A. Peak 3696 from cnoeabs.peaks (2.36, 2.36, 32.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 117 + HB2 PRO 117 OK 100 100 - 100 Peak 3697 from cnoeabs.peaks (2.01, 2.36, 32.10 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3698 from cnoeabs.peaks (2.05, 2.36, 32.10 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * HG2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 118 - HB2 PRO 117 far 0 100 0 - 5.7-6.9 HB2 GLU 102 - HB2 PRO 117 far 0 63 0 - 7.9-15.4 HG3 PRO 113 - HB2 PRO 117 far 0 99 0 - 9.5-14.5 Violated in 0 structures by 0.00 A. Peak 3699 from cnoeabs.peaks (2.05, 2.36, 32.10 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 118 - HB2 PRO 117 far 0 99 0 - 5.7-6.9 HG3 PRO 113 - HB2 PRO 117 far 0 97 0 - 9.5-14.5 Violated in 0 structures by 0.00 A. Peak 3700 from cnoeabs.peaks (3.86, 2.36, 32.10 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.0-3.9 3.0=100 HA2 GLY 114 - HB2 PRO 117 far 0 76 0 - 7.1-10.2 Violated in 0 structures by 0.00 A. Peak 3701 from cnoeabs.peaks (3.95, 2.36, 32.10 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.0-4.0 3.0=100 HA3 GLY 111 - HB2 PRO 117 far 5 99 5 - 2.2-18.3 HA2 GLY 111 - HB2 PRO 117 far 4 81 5 - 3.9-17.9 HD3 PRO 113 - HB2 PRO 117 far 0 92 0 - 7.8-15.1 HA LEU 100 - HB2 PRO 117 far 0 98 0 - 8.2-14.5 HB3 SER 107 - HB2 PRO 117 far 0 99 0 - 8.3-20.8 HB2 SER 107 - HB2 PRO 117 far 0 57 0 - 8.4-21.3 Violated in 0 structures by 0.00 A. Peak 3702 from cnoeabs.peaks (7.75, 2.36, 32.10 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 118 + HB2 PRO 117 OK 100 100 100 100 3.0-4.6 4.3=100 HD22 ASN 121 + HB2 PRO 117 OK 36 71 55 93 3.1-9.5 3.5/10242=25...(18) Violated in 0 structures by 0.00 A. Peak 3703 from cnoeabs.peaks (4.37, 2.01, 32.10 ppm; 3.51 A): 1 out of 5 assignments used, quality = 1.00: * HA PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HA SER 107 - HB VAL 63 poor 6 29 20 - 1.9-11.0 HA PRO 113 - HB3 PRO 117 far 0 100 0 - 7.0-13.7 HA SER 107 - HB3 PRO 117 far 0 81 0 - 7.9-18.6 HA PRO 113 - HB VAL 63 far 0 42 0 - 8.2-13.6 Violated in 0 structures by 0.00 A. Peak 3704 from cnoeabs.peaks (2.36, 2.01, 32.10 ppm; 2.83 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 104 - HB VAL 63 poor 8 30 25 - 2.9-7.0 HG3 GLN 27 - HB VAL 63 far 4 43 10 - 2.3-19.7 HG2 GLN 27 - HB VAL 63 far 4 40 10 - 2.1-20.9 HG2 GLU 102 - HB3 PRO 117 far 0 100 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 3705 from cnoeabs.peaks (2.01, 2.01, 32.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 117 + HB3 PRO 117 OK 100 100 - 100 HB VAL 63 + HB VAL 63 OK 37 37 - 100 Peak 3706 from cnoeabs.peaks (2.05, 2.01, 32.10 ppm; 4.35 A): 3 out of 11 assignments used, quality = 1.00: * HG2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HB VAL 118 + HB3 PRO 117 OK 45 100 45 100 5.2-6.7 2.1/11590=80...(18) HB2 LEU 62 - HB VAL 63 poor 19 43 45 - 4.8-6.4 HB3 GLN 27 - HB VAL 63 far 4 42 10 - 3.6-18.3 HB VAL 118 - HB VAL 63 far 0 43 0 - 7.1-15.4 HG3 PRO 58 - HB VAL 63 far 0 33 0 - 7.2-9.2 HG3 PRO 113 - HB VAL 63 far 0 42 0 - 7.5-16.6 HG2 PRO 58 - HB VAL 63 far 0 23 0 - 7.6-9.6 QE MET 11 - HB VAL 63 far 0 37 0 - 7.7-38.1 HB2 GLU 102 - HB3 PRO 117 far 0 63 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 3707 from cnoeabs.peaks (2.05, 2.01, 32.10 ppm; 4.35 A): 3 out of 10 assignments used, quality = 1.00: * HG3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 118 + HB3 PRO 117 OK 45 99 45 100 5.2-6.7 2.1/11590=80...(18) HB2 LEU 62 - HB VAL 63 poor 19 42 45 - 4.8-6.4 HB3 GLN 27 - HB VAL 63 far 4 40 10 - 3.6-18.3 HB VAL 118 - HB VAL 63 far 0 42 0 - 7.1-15.4 HG3 PRO 58 - HB VAL 63 far 0 29 0 - 7.2-9.2 HG3 PRO 113 - HB VAL 63 far 0 40 0 - 7.5-16.6 HG2 PRO 58 - HB VAL 63 far 0 26 0 - 7.6-9.6 QE MET 11 - HB VAL 63 far 0 40 0 - 7.7-38.1 Violated in 0 structures by 0.00 A. Peak 3708 from cnoeabs.peaks (3.86, 2.01, 32.10 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * HD2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 3.0-4.0 3.0=100 HA LEU 62 - HB VAL 63 poor 11 37 30 - 5.6-5.9 HA2 GLY 114 - HB VAL 63 far 0 27 0 - 7.7-16.2 HA2 GLY 114 - HB3 PRO 117 far 0 76 0 - 8.2-11.2 HA LEU 123 - HB VAL 63 far 0 38 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 3709 from cnoeabs.peaks (3.95, 2.01, 32.10 ppm; 4.24 A): 1 out of 15 assignments used, quality = 1.00: * HD3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 3.9-4.0 3.0=100 HA3 GLY 111 - HB3 PRO 117 far 5 99 5 - 2.3-18.9 HB3 SER 107 - HB VAL 63 far 4 41 10 - 3.8-10.6 HA2 GLY 111 - HB3 PRO 117 far 4 81 5 - 3.9-18.6 HB2 SER 106 - HB VAL 63 far 4 37 10 - 4.3-13.4 HA2 GLY 111 - HB VAL 63 far 3 29 10 - 3.8-18.1 HA3 GLY 111 - HB VAL 63 far 2 42 5 - 5.5-16.8 HB3 SER 106 - HB VAL 63 far 1 24 5 - 5.3-13.5 HA LEU 100 - HB VAL 63 far 0 40 0 - 7.0-8.4 HB3 SER 107 - HB3 PRO 117 far 0 99 0 - 7.2-20.1 HA THR 65 - HB VAL 63 far 0 33 0 - 7.5-8.0 HB2 SER 107 - HB3 PRO 117 far 0 57 0 - 7.6-20.7 HD3 PRO 113 - HB3 PRO 117 far 0 92 0 - 8.2-15.2 HA LEU 100 - HB3 PRO 117 far 0 98 0 - 8.3-13.5 HD3 PRO 113 - HB VAL 63 far 0 36 0 - 8.3-15.7 Violated in 0 structures by 0.00 A. Peak 3710 from cnoeabs.peaks (7.75, 2.01, 32.10 ppm; 4.48 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 118 + HB3 PRO 117 OK 100 100 100 100 3.0-4.2 4.3=100 HD22 ASN 121 + HB3 PRO 117 OK 40 71 60 95 2.3-7.8 3748/11590=28...(21) HE22 GLN 68 - HB VAL 63 far 0 42 0 - 7.5-12.4 HD22 ASN 121 - HB VAL 63 far 0 25 0 - 9.0-18.5 H VAL 118 - HB VAL 63 far 0 43 0 - 9.5-17.1 Violated in 0 structures by 0.00 A. Peak 3711 from cnoeabs.peaks (4.37, 2.05, 27.30 ppm; 3.98 A): 5 out of 12 assignments used, quality = 1.00: * HA PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 117 + HG3 PRO 117 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 113 + HG3 PRO 113 OK 89 89 100 100 4.0-4.0 3.8=100 HA PRO 81 + HG3 PRO 81 OK 57 57 100 100 3.9-4.0 3.8=100 HA GLN 134 + HG3 PRO 81 OK 32 93 85 41 4.2-9.5 11759/10575=11...(9) HA PRO 113 - HG2 PRO 117 far 5 100 5 - 4.5-13.4 HA PRO 113 - HG3 PRO 117 far 5 99 5 - 5.2-13.4 HA SER 107 - HG2 PRO 117 far 0 81 0 - 6.3-18.7 HA SER 107 - HG3 PRO 117 far 0 80 0 - 7.2-18.5 HA SER 107 - HG3 PRO 113 far 0 67 0 - 7.4-18.9 HA CYS 73 - HG3 PRO 81 far 0 86 0 - 8.8-13.1 HA ASP 78 - HG3 PRO 81 far 0 88 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 3712 from cnoeabs.peaks (2.36, 2.05, 27.30 ppm; 3.56 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 GLU 102 - HG2 PRO 117 far 0 100 0 - 7.5-12.7 HG2 GLU 102 - HG3 PRO 117 far 0 100 0 - 8.0-14.2 HB2 PRO 117 - HG3 PRO 113 far 0 90 0 - 9.5-14.5 HB VAL 77 - HG3 PRO 81 far 0 65 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3713 from cnoeabs.peaks (2.01, 2.05, 27.30 ppm; 4.35 A): 3 out of 15 assignments used, quality = 1.00: * HB3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 81 + HG3 PRO 81 OK 97 97 100 100 1.8-1.8 1.8=100 HB3 PRO 56 - HG3 PRO 113 far 13 87 15 - 3.7-15.7 HG3 ARG 135 - HG3 PRO 81 poor 9 73 35 37 4.3-8.0 3.0/10147=7, 2.9/4325=5...(15) HG3 PRO 56 - HG3 PRO 113 far 9 90 10 - 3.4-17.6 HG2 PRO 56 - HG3 PRO 113 far 9 90 10 - 4.8-18.0 HB2 GLU 55 - HG3 PRO 113 far 4 73 5 - 5.6-19.7 HB2 GLN 134 - HG3 PRO 81 far 0 95 0 - 6.1-11.4 HG2 PRO 58 - HG3 PRO 113 far 0 73 0 - 6.2-16.9 HB VAL 63 - HG3 PRO 113 far 0 81 0 - 7.5-16.6 HB3 GLU 40 - HG3 PRO 81 far 0 65 0 - 7.7-16.9 HB3 LEU 53 - HG3 PRO 113 far 0 78 0 - 8.4-19.5 HB ILE 129 - HG3 PRO 81 far 0 99 0 - 8.9-13.1 HG2 ARG 90 - HG3 PRO 81 far 0 93 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 3714 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 88 88 - 100 Peak 3715 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 85 85 - 100 Reference assignment not found: HG3 PRO 117 - HG2 PRO 117 Peak 3716 from cnoeabs.peaks (3.86, 2.05, 27.30 ppm; 3.81 A): 3 out of 10 assignments used, quality = 1.00: * HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 98 98 100 100 2.3-2.7 2.3=100 HA LYS 86 - HG3 PRO 81 far 0 62 0 - 5.6-8.0 HA2 GLY 114 - HG3 PRO 113 far 0 63 0 - 6.0-6.9 HA GLU 40 - HG3 PRO 81 far 0 86 0 - 7.1-15.0 HD2 PRO 117 - HG3 PRO 113 far 0 90 0 - 7.5-13.6 HA2 GLY 114 - HG2 PRO 117 far 0 76 0 - 8.0-11.1 HA2 GLY 114 - HG3 PRO 117 far 0 75 0 - 8.2-11.0 HA LEU 62 - HG3 PRO 113 far 0 80 0 - 8.4-16.7 Violated in 0 structures by 0.00 A. Peak 3717 from cnoeabs.peaks (3.95, 2.05, 27.30 ppm; 3.73 A): 3 out of 27 assignments used, quality = 1.00: * HD3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 113 + HG3 PRO 113 OK 78 78 100 100 2.3-2.3 2.3=100 HA3 GLY 111 - HG2 PRO 117 far 5 99 5 - 2.5-17.9 HA3 GLY 111 - HG3 PRO 117 far 5 98 5 - 3.4-17.8 HA2 GLY 111 - HG2 PRO 117 far 4 81 5 - 3.8-17.8 HA2 GLY 111 - HG3 PRO 117 far 4 80 5 - 4.8-17.6 HB2 SER 107 - HG3 PRO 113 far 2 46 5 - 5.0-20.6 HB3 SER 107 - HG2 PRO 117 far 0 99 0 - 5.3-19.9 HB3 SER 107 - HG3 PRO 117 far 0 98 0 - 5.4-19.7 HB3 SER 107 - HG3 PRO 113 far 0 87 0 - 5.4-20.5 HB2 SER 107 - HG2 PRO 117 far 0 57 0 - 5.5-20.5 HB2 SER 107 - HG3 PRO 117 far 0 56 0 - 5.6-20.4 HD3 PRO 113 - HG2 PRO 117 far 0 92 0 - 5.7-15.0 HD3 PRO 113 - HG3 PRO 117 far 0 91 0 - 6.6-15.0 HA LEU 100 - HG2 PRO 117 far 0 98 0 - 6.9-13.2 HA LEU 100 - HG3 PRO 117 far 0 97 0 - 7.3-14.8 HD3 PRO 117 - HG3 PRO 113 far 0 90 0 - 7.6-13.3 HA2 GLY 111 - HG3 PRO 113 far 0 67 0 - 7.7-9.3 HA3 GLY 111 - HG3 PRO 113 far 0 88 0 - 7.7-9.4 HA LEU 100 - HG3 PRO 113 far 0 86 0 - 7.9-17.8 HB2 SER 106 - HG2 PRO 117 far 0 93 0 - 8.7-19.0 HB3 SER 106 - HG2 PRO 117 far 0 68 0 - 8.8-19.7 HB3 SER 106 - HG3 PRO 113 far 0 56 0 - 9.0-20.8 HB2 SER 106 - HG3 PRO 113 far 0 80 0 - 9.1-20.9 HB2 SER 106 - HG3 PRO 117 far 0 92 0 - 9.1-19.4 HB3 SER 106 - HG3 PRO 117 far 0 67 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 3718 from cnoeabs.peaks (7.75, 2.05, 27.30 ppm; 4.72 A): 4 out of 7 assignments used, quality = 1.00: * H VAL 118 + HG2 PRO 117 OK 99 100 100 99 2.0-4.4 7637/2.3=71, 7638/2.3=51...(16) H VAL 118 + HG3 PRO 117 OK 99 100 100 99 2.3-5.0 7637/2.3=71, 7638/2.3=51...(15) HD22 ASN 121 + HG2 PRO 117 OK 40 71 60 93 2.9-9.4 3710/2.3=22, 3702/2.3=19...(23) HD22 ASN 121 + HG3 PRO 117 OK 36 70 55 93 3.0-9.3 3710/2.3=22, 3702/2.3=19...(24) H GLU 55 - HG3 PRO 113 far 4 90 5 - 4.1-18.2 H LEU 98 - HG2 PRO 117 far 0 85 0 - 9.7-14.5 H VAL 118 - HG3 PRO 113 far 0 90 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 3719 from cnoeabs.peaks (4.37, 2.05, 27.30 ppm; 3.96 A): 6 out of 14 assignments used, quality = 1.00: * HA PRO 117 + HG3 PRO 117 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 117 + HG2 PRO 117 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 113 + HG3 PRO 113 OK 83 83 100 100 4.0-4.0 3.8=100 HA PRO 81 + HG3 PRO 81 OK 57 57 100 100 3.9-4.0 3.8=100 HA GLN 134 + HG3 ARG 135 OK 38 56 90 76 5.1-6.4 3.6/7984=22, 4259=15...(14) HA GLN 134 + HG3 PRO 81 OK 31 93 85 40 4.2-9.5 11761/10574=11...(9) HA PRO 113 - HG3 PRO 117 far 5 100 5 - 5.2-13.4 HA PRO 113 - HG2 PRO 117 far 5 99 5 - 4.5-13.4 HA SER 107 - HG2 PRO 117 far 0 80 0 - 6.3-18.7 HA SER 107 - HG3 PRO 117 far 0 81 0 - 7.2-18.5 HA SER 107 - HG3 PRO 113 far 0 61 0 - 7.4-18.9 HA PRO 81 - HG3 ARG 135 far 0 31 0 - 8.0-11.2 HA CYS 73 - HG3 PRO 81 far 0 87 0 - 8.8-13.1 HA ASP 78 - HG3 PRO 81 far 0 89 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 3720 from cnoeabs.peaks (2.36, 2.05, 27.30 ppm; 3.56 A): 2 out of 7 assignments used, quality = 1.00: * HB2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 GLU 102 - HG2 PRO 117 far 0 100 0 - 7.5-12.7 HG2 GLU 102 - HG3 PRO 117 far 0 100 0 - 8.0-14.2 HG2 GLU 128 - HG3 ARG 135 far 0 57 0 - 8.5-12.4 HB2 PRO 117 - HG3 PRO 113 far 0 84 0 - 9.5-14.5 HB VAL 77 - HG3 PRO 81 far 0 65 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3721 from cnoeabs.peaks (2.01, 2.05, 27.30 ppm; 4.35 A): 4 out of 18 assignments used, quality = 1.00: * HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 81 + HG3 PRO 81 OK 97 97 100 100 1.8-1.8 1.8=100 HB2 GLN 134 + HG3 ARG 135 OK 49 58 95 89 3.5-7.3 4.4/7984=21, 4309/4.2=17...(20) HB3 PRO 56 - HG3 PRO 113 far 12 81 15 - 3.7-15.7 HG2 PRO 81 - HG3 ARG 135 poor 10 61 35 45 4.6-7.5 ~10147=8, ~10147=7...(14) HG3 ARG 135 - HG3 PRO 81 poor 10 73 35 37 4.3-8.0 3.0/10147=7, 2.9/4325=6...(15) HG3 PRO 56 - HG3 PRO 113 far 8 84 10 - 3.4-17.6 HG2 PRO 56 - HG3 PRO 113 far 8 84 10 - 4.8-18.0 HB2 GLU 55 - HG3 PRO 113 far 3 67 5 - 5.6-19.7 HB2 GLN 134 - HG3 PRO 81 far 0 96 0 - 6.1-11.4 HG2 PRO 58 - HG3 PRO 113 far 0 67 0 - 6.2-16.9 HB VAL 63 - HG3 PRO 113 far 0 75 0 - 7.5-16.6 HB3 GLU 40 - HG3 PRO 81 far 0 65 0 - 7.7-16.9 HB3 LEU 53 - HG3 PRO 113 far 0 72 0 - 8.4-19.5 HB ILE 129 - HG3 PRO 81 far 0 99 0 - 8.9-13.1 HB ILE 129 - HG3 ARG 135 far 0 64 0 - 9.2-12.4 HG2 ARG 90 - HG3 PRO 81 far 0 93 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 3722 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 82 82 - 100 HG3 ARG 135 + HG3 ARG 135 OK 46 46 - 100 Reference assignment not found: HG2 PRO 117 - HG3 PRO 117 Peak 3723 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 79 79 - 100 HG3 ARG 135 + HG3 ARG 135 OK 50 50 - 100 Peak 3724 from cnoeabs.peaks (3.86, 2.05, 27.30 ppm; 3.81 A): 3 out of 13 assignments used, quality = 1.00: * HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 99 99 100 100 2.3-2.7 2.3=100 HA LYS 86 - HG3 PRO 81 far 0 63 0 - 5.6-8.0 HD2 PRO 81 - HG3 ARG 135 far 0 62 0 - 5.9-8.6 HA2 GLY 114 - HG3 PRO 113 far 0 57 0 - 6.0-6.9 HA GLU 40 - HG3 PRO 81 far 0 87 0 - 7.1-15.0 HA LYS 86 - HG3 ARG 135 far 0 34 0 - 7.2-10.2 HD2 PRO 117 - HG3 PRO 113 far 0 84 0 - 7.5-13.6 HA2 GLY 114 - HG2 PRO 117 far 0 75 0 - 8.0-11.1 HA2 GLY 114 - HG3 PRO 117 far 0 76 0 - 8.2-11.0 HA LEU 62 - HG3 PRO 113 far 0 74 0 - 8.4-16.7 HA GLU 40 - HG3 ARG 135 far 0 50 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 3725 from cnoeabs.peaks (3.95, 2.05, 27.30 ppm; 3.72 A): 3 out of 27 assignments used, quality = 1.00: * HD3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 113 + HG3 PRO 113 OK 72 72 100 100 2.3-2.3 2.3=100 HA3 GLY 111 - HG3 PRO 117 far 5 99 5 - 3.4-17.8 HA3 GLY 111 - HG2 PRO 117 far 5 98 5 - 2.5-17.9 HA2 GLY 111 - HG3 PRO 117 far 4 81 5 - 4.8-17.6 HA2 GLY 111 - HG2 PRO 117 far 4 80 5 - 3.8-17.8 HB2 SER 107 - HG3 PRO 113 far 2 42 5 - 5.0-20.6 HB3 SER 107 - HG2 PRO 117 far 0 98 0 - 5.3-19.9 HB3 SER 107 - HG3 PRO 117 far 0 99 0 - 5.4-19.7 HB3 SER 107 - HG3 PRO 113 far 0 81 0 - 5.4-20.5 HB2 SER 107 - HG2 PRO 117 far 0 56 0 - 5.5-20.5 HB2 SER 107 - HG3 PRO 117 far 0 57 0 - 5.6-20.4 HD3 PRO 113 - HG2 PRO 117 far 0 91 0 - 5.7-15.0 HD3 PRO 113 - HG3 PRO 117 far 0 92 0 - 6.6-15.0 HA LEU 100 - HG2 PRO 117 far 0 97 0 - 6.9-13.2 HA LEU 100 - HG3 PRO 117 far 0 98 0 - 7.3-14.8 HD3 PRO 117 - HG3 PRO 113 far 0 84 0 - 7.6-13.3 HA2 GLY 111 - HG3 PRO 113 far 0 61 0 - 7.7-9.3 HA3 GLY 111 - HG3 PRO 113 far 0 82 0 - 7.7-9.4 HA LEU 100 - HG3 PRO 113 far 0 80 0 - 7.9-17.8 HB2 SER 106 - HG2 PRO 117 far 0 92 0 - 8.7-19.0 HB3 SER 106 - HG2 PRO 117 far 0 67 0 - 8.8-19.7 HB3 SER 106 - HG3 PRO 113 far 0 51 0 - 9.0-20.8 HB2 SER 106 - HG3 PRO 113 far 0 74 0 - 9.1-20.9 HB2 SER 106 - HG3 PRO 117 far 0 93 0 - 9.1-19.4 HB3 SER 106 - HG3 PRO 117 far 0 68 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 3726 from cnoeabs.peaks (7.75, 2.05, 27.30 ppm; 4.72 A): 4 out of 7 assignments used, quality = 1.00: * H VAL 118 + HG3 PRO 117 OK 99 100 100 99 2.3-5.0 7637/2.3=71, 7638/2.3=51...(15) H VAL 118 + HG2 PRO 117 OK 99 100 100 99 2.0-4.4 7637/2.3=71, 7638/2.3=51...(16) HD22 ASN 121 + HG2 PRO 117 OK 39 70 60 93 2.9-9.4 3710/2.3=22, 3702/2.3=19...(23) HD22 ASN 121 + HG3 PRO 117 OK 36 71 55 93 3.0-9.3 3710/2.3=22, 3702/2.3=19...(24) H GLU 55 - HG3 PRO 113 far 4 84 5 - 4.1-18.2 H LEU 98 - HG2 PRO 117 far 0 84 0 - 9.7-14.5 H VAL 118 - HG3 PRO 113 far 0 84 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 3727 from cnoeabs.peaks (7.75, 3.81, 65.23 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 118 + HA VAL 118 OK 100 100 100 100 2.7-2.9 2.8=100 HD22 ASN 121 + HA VAL 118 OK 71 71 100 100 1.8-4.3 3.5/3735=55, 3.5/3839=53...(35) H LEU 98 - HA VAL 118 far 0 85 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 3728 from cnoeabs.peaks (3.81, 3.81, 65.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + HA VAL 118 OK 100 100 - 100 Peak 3729 from cnoeabs.peaks (2.06, 3.81, 65.23 ppm; 4.02 A): 3 out of 5 assignments used, quality = 1.00: * HB VAL 118 + HA VAL 118 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 117 + HA VAL 118 OK 69 100 70 99 4.0-5.8 ~11590=31, ~7637=30...(39) HG3 PRO 117 + HA VAL 118 OK 30 99 30 99 4.0-6.1 ~11590=31, ~7637=30...(39) HB2 GLU 102 - HA VAL 118 far 0 71 0 - 6.6-11.2 HB2 LEU 62 - HA VAL 118 far 0 100 0 - 8.7-14.9 Violated in 0 structures by 0.00 A. Peak 3730 from cnoeabs.peaks (0.90, 3.81, 65.23 ppm; 3.65 A): 1 out of 8 assignments used, quality = 1.00: * QG1 VAL 118 + HA VAL 118 OK 100 100 100 100 2.3-2.7 3.2=100 QD1 LEU 62 - HA VAL 118 poor 19 93 20 - 4.4-11.3 QD2 LEU 98 - HA VAL 118 far 4 76 5 - 4.7-9.7 QG2 VAL 63 - HA VAL 118 far 0 97 0 - 6.0-11.9 QD2 LEU 123 - HA VAL 118 far 0 92 0 - 6.0-8.9 QD1 LEU 123 - HA VAL 118 far 0 63 0 - 6.8-9.6 QD1 LEU 49 - HA VAL 118 far 0 95 0 - 8.4-11.5 QG2 VAL 112 - HA VAL 118 far 0 73 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3731 from cnoeabs.peaks (1.01, 3.81, 65.23 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + HA VAL 118 OK 100 100 100 100 2.0-2.5 3.2=100 QD1 LEU 69 - HA VAL 118 far 0 100 0 - 8.4-13.5 QG2 VAL 105 - HA VAL 118 far 0 99 0 - 8.5-12.1 Violated in 0 structures by 0.00 A. Peak 3732 from cnoeabs.peaks (7.54, 3.81, 65.23 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 119 + HA VAL 118 OK 100 100 100 100 3.5-3.6 3.5=100 H THR 54 - HA VAL 118 far 0 99 0 - 9.9-16.7 Violated in 0 structures by 0.00 A. Peak 3733 from cnoeabs.peaks (8.12, 3.81, 65.23 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HA VAL 118 OK 100 100 100 100 2.6-3.3 7689=100, 7700/3735=73...(23) Violated in 0 structures by 0.00 A. Peak 3734 from cnoeabs.peaks (2.80, 3.81, 65.23 ppm; 4.64 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA VAL 118 OK 100 100 100 100 2.5-3.7 3839=100, 1.8/3735=94...(37) HB2 ASN 120 + HA VAL 118 OK 62 100 65 95 4.9-7.3 4.4/7689=55, 3.8/7661=44...(20) HB3 ASN 120 + HA VAL 118 OK 33 100 35 95 5.6-7.1 4.4/7689=55, 3.8/7661=44...(20) Violated in 0 structures by 0.00 A. Peak 3735 from cnoeabs.peaks (2.98, 3.81, 65.23 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 121 + HA VAL 118 OK 100 100 100 100 1.7-2.1 3847=100, 1.8/3839=84...(36) HE3 LYS 24 - HA VAL 118 far 5 95 5 - 5.3-35.2 HE2 LYS 24 - HA VAL 118 far 0 85 0 - 6.6-33.9 Violated in 0 structures by 0.00 A. Peak 3736 from cnoeabs.peaks (7.75, 2.06, 31.53 ppm; 3.52 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 118 + HB VAL 118 OK 100 100 100 100 2.3-2.8 7642/2.1=73, 4.0=71...(25) HD22 ASN 121 + HB VAL 118 OK 35 71 50 100 4.3-6.6 ~10329=34, 3748/2.1=31...(35) H LEU 98 - HB VAL 118 far 0 85 0 - 7.9-10.5 H GLU 55 - HB VAL 118 far 0 100 0 - 8.7-17.3 Violated in 0 structures by 0.00 A. Peak 3737 from cnoeabs.peaks (3.81, 2.06, 31.53 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + HB VAL 118 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3738 from cnoeabs.peaks (2.06, 2.06, 31.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 118 + HB VAL 118 OK 100 100 - 100 Peak 3739 from cnoeabs.peaks (0.90, 2.06, 31.53 ppm; 3.06 A): 2 out of 9 assignments used, quality = 1.00: * QG1 VAL 118 + HB VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 + HB VAL 118 OK 34 93 70 52 2.6-10.5 2007=18, 7649/3741=8...(15) QG2 VAL 63 - HB VAL 118 far 10 97 10 - 4.1-10.8 QD2 LEU 98 - HB VAL 118 far 0 76 0 - 5.2-10.3 QD2 LEU 123 - HB VAL 118 far 0 92 0 - 5.7-9.5 QD1 LEU 123 - HB VAL 118 far 0 63 0 - 6.6-10.7 QG2 VAL 112 - HB VAL 118 far 0 73 0 - 7.7-12.9 QD1 LEU 49 - HB VAL 118 far 0 95 0 - 8.1-12.4 QG2 VAL 20 - HB VAL 118 far 0 99 0 - 9.9-31.6 Violated in 0 structures by 0.00 A. Peak 3740 from cnoeabs.peaks (1.01, 2.06, 31.53 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + HB VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 105 - HB VAL 118 far 0 99 0 - 6.6-9.8 QD1 LEU 69 - HB VAL 118 far 0 100 0 - 9.2-13.6 Violated in 0 structures by 0.00 A. Peak 3741 from cnoeabs.peaks (7.54, 2.06, 31.53 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + HB VAL 118 OK 100 100 100 100 2.4-2.9 7648=80, 3753/2.1=73...(19) HE22 GLN 27 - HB VAL 118 far 0 99 0 - 8.2-26.5 HE22 GLN 61 - HB VAL 118 far 0 89 0 - 8.9-19.4 H THR 54 - HB VAL 118 far 0 99 0 - 8.9-17.7 Violated in 0 structures by 0.00 A. Peak 3742 from cnoeabs.peaks (7.75, 0.90, 21.66 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 118 + QG1 VAL 118 OK 100 100 100 100 3.7-3.8 3.9=100 HD22 ASN 121 + QG1 VAL 118 OK 71 71 100 100 2.4-4.4 1.7/10329=78...(38) H LEU 98 - QG1 VAL 118 far 8 85 10 - 4.7-7.6 H GLU 55 - QG1 VAL 118 far 0 100 0 - 7.5-13.9 Violated in 0 structures by 0.00 A. Peak 3743 from cnoeabs.peaks (3.81, 0.90, 21.66 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.3-2.7 3.2=100 HB2 SER 50 - QG1 VAL 118 far 0 78 0 - 8.6-13.1 Violated in 0 structures by 0.00 A. Peak 3744 from cnoeabs.peaks (2.06, 0.90, 21.66 ppm; 3.06 A): 1 out of 11 assignments used, quality = 1.00: * HB VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 117 - QG1 VAL 118 far 0 100 0 - 4.9-7.1 HB2 LEU 62 - QG1 VAL 118 far 0 100 0 - 5.0-11.4 HB2 GLU 102 - QG1 VAL 118 far 0 71 0 - 5.1-8.1 HG3 PRO 117 - QG1 VAL 118 far 0 99 0 - 5.3-7.4 HB3 GLN 27 - QG1 VAL 118 far 0 100 0 - 7.0-19.4 HB2 GLN 127 - QG1 VAL 118 far 0 100 0 - 8.1-12.0 HG3 PRO 113 - QG1 VAL 118 far 0 100 0 - 8.5-13.5 HB3 GLU 55 - QG1 VAL 118 far 0 92 0 - 9.4-16.4 HB2 GLU 128 - QG1 VAL 118 far 0 73 0 - 9.4-12.5 HG3 PRO 58 - QG1 VAL 118 far 0 92 0 - 9.7-15.8 Violated in 0 structures by 0.00 A. Peak 3745 from cnoeabs.peaks (0.90, 0.90, 21.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 118 + QG1 VAL 118 OK 100 100 - 100 Peak 3746 from cnoeabs.peaks (1.01, 0.90, 21.66 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + QG1 VAL 118 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 105 - QG1 VAL 118 far 0 99 0 - 5.7-8.4 QD1 LEU 69 - QG1 VAL 118 far 0 100 0 - 6.0-9.8 Violated in 0 structures by 0.00 A. Peak 3747 from cnoeabs.peaks (7.54, 0.90, 21.66 ppm; 4.72 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + QG1 VAL 118 OK 100 100 100 100 2.8-3.8 4.1=100 HE22 GLN 27 - QG1 VAL 118 far 0 99 0 - 6.5-21.3 H THR 54 - QG1 VAL 118 far 0 99 0 - 7.0-13.9 HE22 GLN 61 - QG1 VAL 118 far 0 89 0 - 7.8-15.3 Violated in 0 structures by 0.00 A. Peak 3748 from cnoeabs.peaks (7.75, 1.01, 22.19 ppm; 3.04 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 118 + QG2 VAL 118 OK 99 100 100 99 1.7-2.8 7642=80, 2.8/3749=51...(17) HD22 ASN 121 + QG2 VAL 118 OK 66 71 95 98 2.2-4.6 3.5/11604=29, ~10329=25...(33) H LEU 98 - QG2 VAL 118 far 0 85 0 - 6.3-7.3 H GLU 55 - QG2 VAL 118 far 0 100 0 - 9.3-15.9 Violated in 0 structures by 0.00 A. Peak 3749 from cnoeabs.peaks (3.81, 1.01, 22.19 ppm; 3.02 A): 1 out of 1 assignment used, quality = 0.99: * HA VAL 118 + QG2 VAL 118 OK 99 100 100 99 2.0-2.5 3731=88, 2.8/7642=46...(20) Violated in 0 structures by 0.00 A. Peak 3750 from cnoeabs.peaks (2.06, 1.01, 22.19 ppm; 2.67 A): 3 out of 7 assignments used, quality = 1.00: * HB VAL 118 + QG2 VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 117 + QG2 VAL 118 OK 52 100 70 74 2.4-5.0 2.3/11590=28...(24) HG3 PRO 117 + QG2 VAL 118 OK 26 99 35 74 3.0-5.4 2.3/11590=28...(24) HB2 GLU 102 - QG2 VAL 118 far 7 71 10 - 3.8-8.1 HB2 LEU 62 - QG2 VAL 118 far 0 100 0 - 7.2-13.8 HB3 GLN 27 - QG2 VAL 118 far 0 100 0 - 8.2-21.7 HG3 PRO 113 - QG2 VAL 118 far 0 100 0 - 8.2-13.1 Violated in 0 structures by 0.00 A. Peak 3751 from cnoeabs.peaks (0.90, 1.01, 22.19 ppm; 2.58 A): 1 out of 13 assignments used, quality = 1.00: * QG1 VAL 118 + QG2 VAL 118 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 - QG2 VAL 118 far 9 93 10 - 3.9-10.2 QD2 LEU 98 - QG2 VAL 118 far 4 76 5 - 3.9-7.1 QG2 VAL 63 - QG2 VAL 118 far 0 97 0 - 4.2-10.3 QD2 LEU 123 - QG2 VAL 118 far 0 92 0 - 5.8-9.0 QG2 VAL 112 - QG2 VAL 118 far 0 73 0 - 6.8-12.2 QD1 LEU 123 - QG2 VAL 118 far 0 63 0 - 7.0-9.8 QD1 LEU 49 - QG2 VAL 118 far 0 95 0 - 7.6-11.1 QD1 LEU 22 - QG2 VAL 118 far 0 100 0 - 8.1-26.3 QG2 VAL 20 - QG2 VAL 118 far 0 99 0 - 8.3-27.1 QG1 VAL 20 - QG2 VAL 118 far 0 99 0 - 9.3-29.2 QD1 LEU 48 - QG2 VAL 118 far 0 73 0 - 9.5-15.7 QD2 LEU 48 - QG2 VAL 118 far 0 98 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 3752 from cnoeabs.peaks (1.01, 1.01, 22.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 118 + QG2 VAL 118 OK 100 100 - 100 Peak 3753 from cnoeabs.peaks (7.54, 1.01, 22.19 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + QG2 VAL 118 OK 100 100 100 100 3.6-4.1 7650=94, 3741/2.1=69...(17) HE22 GLN 27 - QG2 VAL 118 far 0 99 0 - 8.1-23.5 H THR 54 - QG2 VAL 118 far 0 99 0 - 9.3-16.0 HE22 GLN 61 - QG2 VAL 118 far 0 89 0 - 9.4-17.8 Violated in 7 structures by 0.02 A. Peak 3754 from cnoeabs.peaks (7.54, 4.03, 57.80 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + HA LEU 119 OK 100 100 100 100 2.6-2.7 2.8=100 H THR 54 - HA LEU 119 far 15 99 15 - 5.0-13.6 HE22 GLN 61 - HA LEU 119 far 4 89 5 - 5.7-15.2 HE22 GLN 27 - HA LEU 119 far 0 99 0 - 8.0-27.2 Violated in 0 structures by 0.00 A. Peak 3755 from cnoeabs.peaks (4.03, 4.03, 57.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 119 + HA LEU 119 OK 100 100 - 100 Peak 3756 from cnoeabs.peaks (1.54, 4.03, 57.80 ppm; 4.23 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.2-2.9 2.9=100 HG LEU 123 + HA LEU 119 OK 69 78 90 98 2.5-7.1 3.0/3764=40, 3389=29...(32) HB2 LEU 53 + HA LEU 119 OK 35 73 50 95 2.0-9.8 3.1/11845=38...(35) HG LEU 103 - HA LEU 119 far 10 97 10 - 5.4-9.2 HG LEU 49 - HA LEU 119 far 0 65 0 - 8.5-13.3 Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (1.87, 4.03, 57.80 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HA LEU 119 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 LEU 123 + HA LEU 119 OK 87 99 90 97 3.5-6.9 3927/4.9=34, 3768/2.9=27...(30) Violated in 0 structures by 0.00 A. Peak 3758 from cnoeabs.peaks (1.62, 4.03, 57.80 ppm; 4.79 A): 5 out of 6 assignments used, quality = 1.00: * HG LEU 119 + HA LEU 119 OK 100 100 100 100 2.4-4.1 3.7=100 HB2 LEU 122 + HA LEU 119 OK 94 95 100 100 3.1-5.9 1.8/3764=91, 3.5/3762=47...(20) HG LEU 122 + HA LEU 119 OK 88 89 100 99 3.4-6.2 3.0/3764=76, 4.6/3762=39...(21) HB2 LEU 123 + HA LEU 119 OK 62 63 100 99 2.4-6.0 1.8/3764=59, 3813/4.9=33...(30) HG LEU 62 + HA LEU 119 OK 59 68 90 96 1.7-8.4 2.1/10954=53...(22) HG LEU 70 - HA LEU 119 far 0 97 0 - 9.3-13.1 Violated in 0 structures by 0.00 A. Peak 3759 from cnoeabs.peaks (0.80, 4.03, 57.80 ppm; 3.29 A): 4 out of 10 assignments used, quality = 1.00: * QD2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.0-3.8 3790=100, 2.1/3798=56...(22) QD1 LEU 122 + HA LEU 119 OK 76 99 85 89 2.0-5.7 3.1/3764=36, 11702=29...(24) QD2 LEU 122 + HA LEU 119 OK 52 93 65 86 1.9-6.0 3.1/3764=36...(22) QD1 LEU 53 + HA LEU 119 OK 43 99 55 79 1.8-8.1 2.1/11845=31, 11844=14...(23) QD1 LEU 103 - HA LEU 119 far 0 85 0 - 4.9-7.5 QG1 VAL 63 - HA LEU 119 far 0 87 0 - 6.2-10.5 QD2 LEU 49 - HA LEU 119 far 0 100 0 - 6.3-9.5 QD1 LEU 70 - HA LEU 119 far 0 87 0 - 6.6-10.9 QD1 LEU 96 - HA LEU 119 far 0 60 0 - 7.1-10.2 QD1 ILE 32 - HA LEU 119 far 0 73 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 3760 from cnoeabs.peaks (0.94, 4.03, 57.80 ppm; 3.65 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 119 + HA LEU 119 OK 100 100 100 100 2.0-4.0 3798=99, 2.1/3790=80...(15) QD1 LEU 123 + HA LEU 119 OK 51 93 60 91 3.1-7.6 3.2/3764=29...(26) QD1 LEU 62 + HA LEU 119 OK 45 63 90 80 1.6-7.5 3795/3790=21, 10954=17...(17) QD2 LEU 53 + HA LEU 119 OK 36 71 60 84 2.0-8.5 11845=31, 2.1/3759=13...(25) QD1 LEU 49 - HA LEU 119 far 0 60 0 - 5.4-9.4 QG1 VAL 126 - HA LEU 119 far 0 92 0 - 5.6-8.1 QG2 VAL 126 - HA LEU 119 far 0 78 0 - 5.6-8.9 QG1 VAL 57 - HA LEU 119 far 0 99 0 - 7.2-13.1 QG1 VAL 112 - HA LEU 119 far 0 68 0 - 7.4-11.7 QD1 LEU 48 - HA LEU 119 far 0 87 0 - 8.1-14.3 QG2 VAL 112 - HA LEU 119 far 0 87 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 3761 from cnoeabs.peaks (8.08, 4.03, 57.80 ppm; 5.18 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + HA LEU 119 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 103 - HA LEU 119 far 0 100 0 - 6.8-10.2 H ALA 109 - HA LEU 119 far 0 99 0 - 7.0-15.2 H ALA 108 - HA LEU 119 far 0 100 0 - 7.7-15.1 Violated in 0 structures by 0.00 A. Peak 3762 from cnoeabs.peaks (8.18, 4.03, 57.80 ppm; 5.13 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 122 + HA LEU 119 OK 100 100 100 100 3.7-5.2 3.5/3764=76, 7675/3.6=67...(24) H VAL 63 - HA LEU 119 poor 17 87 40 49 5.0-11.7 6810/10954=18...(9) H GLN 127 - HA LEU 119 far 0 93 0 - 8.1-10.5 Violated in 1 structures by 0.00 A. Peak 3763 from cnoeabs.peaks (1.61, 4.03, 57.80 ppm; 4.62 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 122 + HA LEU 119 OK 99 100 100 99 3.1-5.9 1.8/3764=88, 3.5/3762=44...(20) HG LEU 119 + HA LEU 119 OK 95 95 100 100 2.4-4.1 3.7=100 HG LEU 122 + HA LEU 119 OK 93 100 95 99 3.4-6.2 3.0/3764=72...(21) HG LEU 70 - HA LEU 119 far 0 100 0 - 9.3-13.1 Violated in 0 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (1.79, 4.03, 57.80 ppm; 4.21 A): 1 out of 6 assignments used, quality = 0.32: HB3 LEU 123 + HA LEU 119 OK 32 39 90 90 3.5-6.9 3.0/3756=20...(23) ! HB3 LEU 122 - HA LEU 119 poor 18 100 20 88 4.6-6.8 3.5/3762=36...(16) HG LEU 100 - HA LEU 119 far 0 89 0 - 5.8-8.6 HB3 LEU 103 - HA LEU 119 far 0 100 0 - 6.0-8.6 HB3 LEU 98 - HA LEU 119 far 0 98 0 - 6.6-13.7 HB2 LEU 100 - HA LEU 119 far 0 63 0 - 6.7-9.2 Violated in 11 structures by 0.41 A. Peak 3765 from cnoeabs.peaks (7.54, 1.54, 40.68 ppm; 4.82 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.2-3.6 3.9=100 H THR 54 + HB2 LEU 119 OK 24 99 35 68 4.2-13.0 3789/3.1=17, 3.6/1638=16...(12) HE22 GLN 61 - HB2 LEU 119 far 0 89 0 - 6.4-14.7 HE22 GLN 27 - HB2 LEU 119 far 0 99 0 - 9.2-29.4 Violated in 0 structures by 0.00 A. Peak 3766 from cnoeabs.peaks (4.03, 1.54, 40.68 ppm; 4.85 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.2-2.9 2.9=100 HA SER 50 - HB2 LEU 119 far 9 60 15 - 6.0-13.0 HB3 SER 99 - HB2 LEU 119 far 4 83 5 - 5.9-10.3 HA LEU 103 - HB2 LEU 119 far 0 98 0 - 6.9-12.3 HB3 SER 124 - HB2 LEU 119 far 0 100 0 - 7.1-9.2 HA LEU 122 - HB2 LEU 119 far 0 73 0 - 7.8-9.1 HA LEU 96 - HB2 LEU 119 far 0 90 0 - 8.6-11.6 HA SER 60 - HB2 LEU 119 far 0 90 0 - 9.4-14.4 Violated in 0 structures by 0.00 A. Peak 3767 from cnoeabs.peaks (1.54, 1.54, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 119 + HB2 LEU 119 OK 100 100 - 100 Peak 3768 from cnoeabs.peaks (1.87, 1.54, 40.68 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HB2 LEU 119 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 123 + HB2 LEU 119 OK 72 99 75 97 4.5-6.9 3757/2.9=26, 3932=24...(44) Violated in 0 structures by 0.00 A. Peak 3769 from cnoeabs.peaks (1.62, 1.54, 40.68 ppm; 4.35 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 62 + HB2 LEU 119 OK 54 68 80 100 2.1-8.0 3.0/10951=30...(44) HB2 LEU 123 + HB2 LEU 119 OK 50 63 80 99 4.0-6.3 1.8/3768=37, ~3764=29...(45) HG LEU 122 - HB2 LEU 119 far 13 89 15 - 5.7-8.6 HB2 LEU 122 - HB2 LEU 119 far 5 95 5 - 5.1-8.2 Violated in 0 structures by 0.00 A. Peak 3770 from cnoeabs.peaks (0.80, 1.54, 40.68 ppm; 4.06 A): 4 out of 9 assignments used, quality = 1.00: * QD2 LEU 119 + HB2 LEU 119 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 122 + HB2 LEU 119 OK 62 99 65 95 3.8-7.9 11702/2.9=31, ~3764=26...(37) QD1 LEU 53 + HB2 LEU 119 OK 53 99 55 97 2.9-8.0 ~11845=21, 3778/1.8=17...(51) QD2 LEU 122 + HB2 LEU 119 OK 22 93 25 95 3.7-8.0 ~3764=26, ~11702=18...(42) QD1 LEU 103 - HB2 LEU 119 far 4 85 5 - 5.4-8.7 QD2 LEU 49 - HB2 LEU 119 far 0 100 0 - 7.3-10.3 QG1 VAL 63 - HB2 LEU 119 far 0 87 0 - 7.7-11.4 QD1 LEU 70 - HB2 LEU 119 far 0 87 0 - 8.3-12.9 QD1 LEU 96 - HB2 LEU 119 far 0 60 0 - 8.7-12.0 Violated in 0 structures by 0.00 A. Peak 3771 from cnoeabs.peaks (0.94, 1.54, 40.68 ppm; 3.87 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.2-3.1 3.0=100 QD1 LEU 62 + HB2 LEU 119 OK 52 63 85 98 1.8-7.4 3795/3.1=23...(40) QD2 LEU 53 + HB2 LEU 119 OK 50 71 75 94 1.9-8.1 11845/2.9=20...(45) QD1 LEU 123 + HB2 LEU 119 OK 50 93 55 97 3.1-7.4 3.2/3768=23, ~3764=15...(43) QG1 VAL 57 - HB2 LEU 119 far 0 99 0 - 5.7-12.2 QD1 LEU 49 - HB2 LEU 119 far 0 60 0 - 5.9-9.9 QG1 VAL 112 - HB2 LEU 119 far 0 68 0 - 6.6-11.3 QG1 VAL 126 - HB2 LEU 119 far 0 92 0 - 6.9-9.5 QG2 VAL 126 - HB2 LEU 119 far 0 78 0 - 7.3-10.1 QG2 VAL 112 - HB2 LEU 119 far 0 87 0 - 8.6-13.1 QD1 LEU 48 - HB2 LEU 119 far 0 87 0 - 8.8-14.2 Violated in 0 structures by 0.00 A. Peak 3772 from cnoeabs.peaks (8.08, 1.54, 40.68 ppm; 5.63 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + HB2 LEU 119 OK 100 100 100 100 3.0-4.3 4.6=100 H ALA 109 - HB2 LEU 119 far 0 99 0 - 7.6-16.5 H LEU 103 - HB2 LEU 119 far 0 100 0 - 8.2-12.3 H ALA 108 - HB2 LEU 119 far 0 100 0 - 8.8-16.8 Violated in 0 structures by 0.00 A. Peak 3773 from cnoeabs.peaks (7.54, 1.87, 40.68 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.3-3.5 3.9=100 H THR 54 - HB3 LEU 119 far 10 99 10 - 5.0-14.0 HE22 GLN 61 - HB3 LEU 119 far 0 89 0 - 7.8-16.3 HE22 GLN 27 - HB3 LEU 119 far 0 99 0 - 9.5-29.7 Violated in 0 structures by 0.00 A. Peak 3774 from cnoeabs.peaks (4.03, 1.87, 40.68 ppm; 4.61 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 SER 99 - HB3 LEU 119 far 0 83 0 - 6.4-9.5 HA SER 50 - HB3 LEU 119 far 0 60 0 - 7.2-14.0 HB3 SER 124 - HB3 LEU 119 far 0 100 0 - 7.4-9.2 HA LEU 122 - HB3 LEU 119 far 0 73 0 - 8.1-9.0 HA LEU 103 - HB3 LEU 119 far 0 98 0 - 8.2-12.2 HA LEU 96 - HB3 LEU 119 far 0 90 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 3775 from cnoeabs.peaks (1.54, 1.87, 40.68 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 119 + HB3 LEU 119 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 53 + HB3 LEU 119 OK 24 73 35 94 3.4-10.7 ~11621=19, ~1638=11...(48) HG LEU 123 - HB3 LEU 119 poor 20 78 25 - 4.0-7.5 HG LEU 103 - HB3 LEU 119 far 0 97 0 - 7.0-11.3 Violated in 0 structures by 0.00 A. Peak 3776 from cnoeabs.peaks (1.87, 1.87, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 119 + HB3 LEU 119 OK 100 100 - 100 Peak 3777 from cnoeabs.peaks (1.62, 1.87, 40.68 ppm; 3.78 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LEU 123 + HB3 LEU 119 OK 31 63 50 99 4.2-7.4 3.9/11552=34...(45) HG LEU 62 + HB3 LEU 119 OK 23 68 35 98 3.6-9.7 3793/3.1=24, 2.1/3779=19...(43) HB2 LEU 122 - HB3 LEU 119 far 0 95 0 - 5.7-8.4 HG LEU 122 - HB3 LEU 119 far 0 89 0 - 5.9-8.8 Violated in 0 structures by 0.00 A. Peak 3778 from cnoeabs.peaks (0.80, 1.87, 40.68 ppm; 3.88 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 122 + HB3 LEU 119 OK 43 99 45 95 4.3-8.0 11702/2.9=29...(42) QD1 LEU 53 + HB3 LEU 119 OK 38 99 40 97 4.0-9.1 ~11845=19, 3770/1.8=17...(54) QD2 LEU 122 - HB3 LEU 119 far 14 93 15 - 4.1-8.3 QD1 LEU 103 - HB3 LEU 119 far 0 85 0 - 5.4-8.5 QG1 VAL 63 - HB3 LEU 119 far 0 87 0 - 8.1-12.5 QD2 LEU 49 - HB3 LEU 119 far 0 100 0 - 8.3-11.4 QD1 LEU 70 - HB3 LEU 119 far 0 87 0 - 9.0-13.1 QD1 LEU 96 - HB3 LEU 119 far 0 60 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 3779 from cnoeabs.peaks (0.94, 1.87, 40.68 ppm; 4.02 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 119 + HB3 LEU 119 OK 100 100 100 100 1.9-3.2 3.0=100 QD1 LEU 62 + HB3 LEU 119 OK 49 63 80 98 3.2-8.9 3795/3.1=24, ~10951=20...(41) QD2 LEU 53 + HB3 LEU 119 OK 41 71 60 96 1.9-9.2 11845/2.9=21...(46) QD1 LEU 123 + HB3 LEU 119 OK 23 93 25 99 4.4-7.9 4.7/11552=33...(47) QG1 VAL 57 - HB3 LEU 119 far 0 99 0 - 6.4-13.4 QG1 VAL 112 - HB3 LEU 119 far 0 68 0 - 7.1-10.5 QD1 LEU 49 - HB3 LEU 119 far 0 60 0 - 7.2-10.8 QG2 VAL 126 - HB3 LEU 119 far 0 78 0 - 7.3-11.0 QG1 VAL 126 - HB3 LEU 119 far 0 92 0 - 7.4-10.4 QG2 VAL 112 - HB3 LEU 119 far 0 87 0 - 8.7-12.3 QD1 LEU 48 - HB3 LEU 119 far 0 87 0 - 9.6-15.6 Violated in 0 structures by 0.00 A. Peak 3780 from cnoeabs.peaks (8.08, 1.87, 40.68 ppm; 4.91 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + HB3 LEU 119 OK 100 100 100 100 2.1-3.2 4.6=100 H ALA 109 - HB3 LEU 119 far 0 99 0 - 7.8-16.3 H ALA 108 - HB3 LEU 119 far 0 100 0 - 9.3-16.7 H LEU 103 - HB3 LEU 119 far 0 100 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 3781 from cnoeabs.peaks (7.54, 1.62, 27.00 ppm; 3.98 A): 1 out of 17 assignments used, quality = 1.00: * H LEU 119 + HG LEU 119 OK 100 100 100 100 1.5-3.7 3797/2.1=68, 4.6=65...(23) H GLN 82 - HG2 ARG 84 poor 14 56 25 - 4.8-9.4 HE22 GLN 27 - HG3 ARG 23 far 10 97 10 - 3.6-15.7 H LEU 119 - HG LEU 122 far 7 70 10 - 4.6-7.1 H GLN 82 - HG3 ARG 84 far 3 56 5 - 5.1-9.1 HE22 GLN 61 - HG LEU 22 far 0 72 0 - 6.0-28.7 HE22 GLN 61 - HG LEU 119 far 0 89 0 - 6.1-16.1 H THR 54 - HG LEU 119 far 0 99 0 - 6.2-15.0 HE22 GLN 27 - HG LEU 22 far 0 84 0 - 6.9-20.0 HE22 GLN 61 - HG LEU 122 far 0 55 0 - 6.9-14.5 HE22 GLN 27 - HG LEU 119 far 0 99 0 - 7.0-27.4 HE22 GLN 61 - HG3 ARG 23 far 0 87 0 - 7.3-28.0 H THR 54 - HG LEU 122 far 0 67 0 - 7.9-14.5 H THR 54 - HG3 ARG 23 far 0 98 0 - 8.6-34.3 H VAL 77 - HG LEU 70 far 0 92 0 - 9.2-12.2 HE22 GLN 27 - HG LEU 70 far 0 89 0 - 9.3-23.8 HE22 GLN 27 - HG LEU 122 far 0 66 0 - 9.6-23.1 Violated in 0 structures by 0.00 A. Peak 3782 from cnoeabs.peaks (4.03, 1.62, 27.00 ppm; 4.39 A): 5 out of 38 assignments used, quality = 1.00: * HA LEU 119 + HG LEU 119 OK 100 100 100 100 2.4-4.1 3.7=100 HA LEU 119 + HG LEU 122 OK 61 70 90 98 3.4-6.2 3764/3.0=66...(20) HA LEU 122 + HG LEU 122 OK 44 44 100 100 3.5-4.2 4.3=100 HB3 SER 99 + HG LEU 122 OK 43 51 85 99 3.0-7.4 11702/2.1=39...(25) HA LEU 96 + HG LEU 122 OK 43 57 80 93 3.4-6.1 3901/2.1=25, 3868/3.0=19...(36) HA LEU 96 - HG LEU 70 poor 20 78 25 - 5.2-7.3 HA LEU 122 - HG LEU 70 far 0 62 0 - 5.9-8.2 HB2 SER 38 - HG3 ARG 23 far 0 95 0 - 6.0-33.5 HA LEU 103 - HG LEU 119 far 0 98 0 - 6.1-10.8 HB3 SER 124 - HG LEU 122 far 0 69 0 - 6.3-8.7 HA SER 50 - HG LEU 122 far 0 35 0 - 6.4-11.0 HA LEU 103 - HG LEU 122 far 0 65 0 - 6.7-10.9 HB3 SER 99 - HG LEU 119 far 0 83 0 - 6.8-9.7 HA ARG 135 - HG3 ARG 84 far 0 61 0 - 6.8-11.2 HA ILE 37 - HG3 ARG 23 far 0 99 0 - 7.1-28.7 HA LYS 95 - HG LEU 122 far 0 68 0 - 7.2-10.8 HA ARG 135 - HG2 ARG 84 far 0 61 0 - 7.3-12.8 HA GLU 102 - HG3 ARG 23 far 0 69 0 - 7.3-36.7 HB3 SER 99 - HG LEU 70 far 0 71 0 - 7.5-10.4 HA LYS 95 - HG LEU 70 far 0 90 0 - 7.8-10.4 HA SER 60 - HG LEU 119 far 0 90 0 - 7.9-15.0 HD3 PRO 81 - HG3 ARG 84 far 0 57 0 - 7.9-12.7 HA GLU 102 - HG LEU 70 far 0 60 0 - 8.3-11.6 HD3 PRO 81 - HG2 ARG 84 far 0 57 0 - 8.4-12.9 HA SER 50 - HG LEU 119 far 0 60 0 - 8.5-15.1 HA ALA 92 - HG LEU 70 far 0 66 0 - 8.5-12.1 HA LEU 122 - HG LEU 119 far 0 73 0 - 8.5-10.2 HB2 SER 38 - HG LEU 22 far 0 81 0 - 8.6-34.4 HA GLU 102 - HG LEU 122 far 0 42 0 - 8.8-12.3 HA ALA 92 - HG LEU 122 far 0 47 0 - 9.1-12.4 HB3 SER 124 - HG LEU 119 far 0 100 0 - 9.1-11.1 HA SER 60 - HG3 ARG 23 far 0 88 0 - 9.2-29.6 HA LEU 119 - HG LEU 70 far 0 92 0 - 9.3-13.1 HA SER 60 - HG LEU 22 far 0 73 0 - 9.3-31.0 HA LEU 103 - HG3 ARG 23 far 0 97 0 - 9.4-37.1 HA LEU 103 - HG LEU 70 far 0 88 0 - 9.6-12.8 HA SER 60 - HG LEU 122 far 0 57 0 - 9.7-14.6 HA LEU 96 - HG LEU 119 far 0 90 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3783 from cnoeabs.peaks (1.54, 1.62, 27.00 ppm; 4.35 A): 5 out of 18 assignments used, quality = 1.00: * HB2 LEU 119 + HG LEU 119 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 22 + HG LEU 22 OK 87 87 100 100 2.3-2.9 3.0=100 HB2 LEU 22 + HG3 ARG 23 OK 63 99 70 91 2.7-7.3 6197/5.0=47, 377/3.8=29...(22) HG LEU 123 + HG LEU 119 OK 26 78 35 94 4.7-8.8 3791/2.1=23, 3756/3.7=19...(29) HB2 LEU 53 + HG LEU 119 OK 25 73 35 98 4.2-11.5 ~11621=41, ~1641=18...(39) HG LEU 123 - HG LEU 122 poor 19 47 40 - 3.1-8.0 HG LEU 103 - HG LEU 119 far 14 97 15 - 4.9-10.5 HB2 LEU 119 - HG LEU 122 far 10 70 15 - 5.7-8.6 HG LEU 103 - HG LEU 122 far 6 63 10 - 5.2-9.4 HB2 LEU 53 - HG LEU 122 far 2 44 5 - 5.1-12.7 HG13 ILE 37 - HG3 ARG 23 far 0 88 0 - 6.9-28.7 HG LEU 49 - HG LEU 122 far 0 38 0 - 6.9-10.4 HG LEU 49 - HG LEU 70 far 0 55 0 - 8.0-13.9 HG13 ILE 37 - HG LEU 70 far 0 78 0 - 8.1-15.4 HG LEU 103 - HG LEU 70 far 0 86 0 - 8.3-12.0 HB3 LEU 42 - HG LEU 70 far 0 92 0 - 9.2-13.9 HG LEU 123 - HG LEU 70 far 0 66 0 - 9.2-13.6 HG LEU 103 - HG3 ARG 23 far 0 95 0 - 9.4-34.1 Violated in 0 structures by 0.00 A. Peak 3784 from cnoeabs.peaks (1.87, 1.62, 27.00 ppm; 4.10 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 119 + HG LEU 119 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 123 + HG LEU 122 OK 23 67 45 76 4.2-6.9 ~11571=15, 7750/7743=14...(25) HB3 LYS 36 - HG3 ARG 23 far 5 94 5 - 5.0-27.0 HB3 LEU 119 - HG LEU 122 far 0 70 0 - 5.9-8.8 HB3 LEU 123 - HG LEU 119 far 0 99 0 - 6.4-9.2 HB3 LEU 48 - HG LEU 22 far 0 62 0 - 7.4-30.1 HB3 LEU 48 - HG3 ARG 23 far 0 76 0 - 7.7-30.4 HB3 LYS 36 - HG LEU 22 far 0 79 0 - 8.0-32.5 HB3 LYS 36 - HG LEU 70 far 0 84 0 - 9.0-17.5 HB2 GLU 40 - HG3 ARG 23 far 0 64 0 - 9.2-36.0 HB3 LEU 123 - HG LEU 70 far 0 90 0 - 9.2-13.5 Violated in 0 structures by 0.00 A. Peak 3785 from cnoeabs.peaks (1.62, 1.62, 27.00 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG LEU 119 + HG LEU 119 OK 100 100 - 100 HG3 ARG 23 + HG3 ARG 23 OK 99 99 - 100 HG LEU 70 + HG LEU 70 OK 87 87 - 100 HG LEU 22 + HG LEU 22 OK 86 86 - 100 HG LEU 122 + HG LEU 122 OK 55 55 - 100 HG2 ARG 84 + HG2 ARG 84 OK 53 53 - 100 HG3 ARG 84 + HG3 ARG 84 OK 53 53 - 100 Peak 3786 from cnoeabs.peaks (0.80, 1.62, 27.00 ppm; 2.97 A): 7 out of 46 assignments used, quality = 1.00: * QD2 LEU 119 + HG LEU 119 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 70 OK 75 75 100 100 2.1-2.1 2.1=100 QD1 LEU 122 + HG LEU 122 OK 68 68 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 122 OK 60 60 100 100 2.1-2.1 2.1=100 QD1 LEU 96 + HG LEU 70 OK 36 50 95 76 1.6-4.6 ~11917=13, ~11106=10...(21) QD2 LEU 122 + HG LEU 70 OK 31 82 50 77 3.2-8.5 2273/2.1=12, 3902=10...(37) QD1 LEU 70 + HG LEU 122 OK 24 54 60 73 2.5-8.1 2.1/2272=16, 2264=13...(28) QD1 LEU 53 - HG LEU 119 poor 20 99 20 - 3.3-9.7 QD2 LEU 122 - HG LEU 119 far 14 93 15 - 3.6-8.2 QD1 LEU 122 - HG LEU 70 far 14 90 15 - 3.4-8.1 QD1 LEU 122 - HG LEU 119 poor 13 99 30 44 3.9-9.0 11702/3.7=14, 3770/2.9=8...(12) QD1 LEU 103 - HG LEU 119 far 13 85 15 - 3.2-7.5 QD2 LEU 49 - HG LEU 122 far 7 69 10 - 3.9-7.2 QD1 LEU 53 - HG LEU 122 poor 4 67 30 21 2.0-9.1 3900/4.6=2, 3902=2...(12) QD1 LEU 96 - HG LEU 122 far 2 35 5 - 3.2-6.9 QD2 LEU 49 - HG LEU 70 far 0 91 0 - 4.7-9.7 QG2 ILE 80 - HG2 ARG 84 far 0 56 0 - 4.7-9.9 QG1 VAL 63 - HG LEU 122 far 0 54 0 - 4.8-9.3 QD1 LEU 103 - HG LEU 122 far 0 52 0 - 4.8-8.8 QD2 LEU 119 - HG LEU 122 far 0 70 0 - 5.1-7.5 QG2 ILE 80 - HG3 ARG 84 far 0 56 0 - 5.3-9.8 QD1 ILE 32 - HG3 ARG 23 far 0 71 0 - 5.4-16.6 QG1 VAL 63 - HG LEU 70 far 0 75 0 - 5.4-8.6 QG1 VAL 63 - HG LEU 119 far 0 87 0 - 6.0-12.2 QD1 ILE 37 - HG LEU 70 far 0 66 0 - 6.2-11.0 QD1 ILE 32 - HG LEU 70 far 0 62 0 - 6.2-11.2 QD1 LEU 53 - HG LEU 70 far 0 89 0 - 6.5-13.5 QD1 LEU 103 - HG LEU 70 far 0 73 0 - 6.5-11.5 QG2 ILE 129 - HG LEU 70 far 0 69 0 - 6.6-8.9 QD1 ILE 37 - HG3 ARG 23 far 0 76 0 - 7.0-23.5 QG1 VAL 63 - HG3 ARG 23 far 0 85 0 - 7.2-25.0 HG13 ILE 80 - HG3 ARG 84 far 0 41 0 - 7.3-11.7 HG13 ILE 80 - HG2 ARG 84 far 0 41 0 - 7.5-11.8 QD2 LEU 49 - HG LEU 119 far 0 100 0 - 7.7-11.8 QD1 ILE 32 - HG LEU 122 far 0 44 0 - 8.3-12.5 QD1 LEU 70 - HG LEU 119 far 0 87 0 - 8.4-12.7 QG2 ILE 129 - HG3 ARG 84 far 0 45 0 - 8.4-12.0 QD1 ILE 32 - HG LEU 22 far 0 57 0 - 8.6-18.9 QD1 LEU 103 - HG3 ARG 23 far 0 83 0 - 8.8-30.1 QG2 ILE 129 - HG2 ARG 84 far 0 45 0 - 8.8-12.2 QD2 LEU 119 - HG LEU 70 far 0 92 0 - 9.0-13.3 QG2 ILE 129 - HG LEU 122 far 0 49 0 - 9.3-10.9 QD1 ILE 37 - HG LEU 122 far 0 47 0 - 9.6-15.5 QD1 LEU 96 - HG LEU 119 far 0 60 0 - 9.8-12.7 QG2 ILE 80 - HG LEU 70 far 0 83 0 - 9.8-16.0 QD1 ILE 32 - HG LEU 119 far 0 73 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 3787 from cnoeabs.peaks (0.94, 1.62, 27.00 ppm; 3.36 A): 4 out of 44 assignments used, quality = 1.00: * QD1 LEU 119 + HG LEU 119 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 + HG LEU 119 OK 53 63 90 94 2.2-7.9 3795/2.1=25, ~10992=18...(35) QG1 VAL 126 + HG LEU 122 OK 42 58 85 85 2.4-6.2 11676/2.1=21, ~11678=16...(22) QG2 VAL 126 + HG LEU 122 OK 21 47 55 83 3.1-6.1 11678/3.0=20...(22) QD2 LEU 53 - HG LEU 119 poor 19 71 35 78 4.1-10.3 11845/3.7=12...(28) QD1 LEU 62 - HG LEU 122 poor 18 36 50 - 2.5-6.3 QG2 VAL 126 - HG LEU 70 poor 16 66 55 43 3.6-8.5 ~11109=7, 11692/11635=7...(14) QG1 VAL 126 - HG LEU 70 poor 13 80 35 47 3.3-7.0 11665/5.0=8, ~11109=7...(15) QD1 LEU 123 - HG LEU 122 poor 12 60 20 - 4.4-7.2 QD1 LEU 49 - HG LEU 122 poor 9 35 25 - 4.1-7.1 QG2 ILE 37 - HG3 ARG 23 far 5 98 5 - 4.8-24.3 QD1 LEU 123 - HG LEU 119 far 5 93 5 - 4.6-9.2 QD2 LEU 53 - HG LEU 122 far 2 42 5 - 3.4-9.2 QG1 VAL 112 - HG LEU 119 far 0 68 0 - 5.2-9.5 QD1 LEU 119 - HG LEU 122 far 0 70 0 - 5.3-8.4 QD1 LEU 48 - HG LEU 22 far 0 70 0 - 5.3-25.2 QG2 ILE 37 - HG LEU 70 far 0 90 0 - 6.0-11.8 QD1 LEU 62 - HG LEU 70 far 0 52 0 - 6.2-10.9 QD1 LEU 49 - HG LEU 70 far 0 50 0 - 6.4-11.3 QG1 VAL 57 - HG LEU 22 far 0 85 0 - 6.5-26.7 QG1 VAL 105 - HG3 ARG 23 far 0 85 0 - 6.7-32.0 QG1 VAL 57 - HG LEU 119 far 0 99 0 - 6.8-13.3 QG1 VAL 105 - HG LEU 70 far 0 75 0 - 7.0-12.6 QD1 LEU 48 - HG LEU 70 far 0 75 0 - 7.0-15.7 QG2 VAL 112 - HG LEU 119 far 0 87 0 - 7.0-11.3 QD1 LEU 49 - HG LEU 119 far 0 60 0 - 7.0-11.6 QD1 LEU 48 - HG LEU 122 far 0 54 0 - 7.1-13.9 QG2 VAL 126 - HG LEU 119 far 0 78 0 - 7.5-11.5 QD1 LEU 48 - HG3 ARG 23 far 0 85 0 - 7.7-23.1 QG1 VAL 126 - HG LEU 119 far 0 92 0 - 7.8-10.3 QG1 VAL 57 - HG3 ARG 23 far 0 98 0 - 8.0-26.1 QD2 LEU 53 - HG LEU 70 far 0 60 0 - 8.1-14.6 QG2 ILE 37 - HG LEU 22 far 0 85 0 - 8.4-24.8 QD1 LEU 123 - HG LEU 70 far 0 82 0 - 8.5-12.4 QD1 LEU 48 - HG LEU 119 far 0 87 0 - 8.8-15.9 QG1 VAL 57 - HG LEU 122 far 0 67 0 - 8.8-12.0 QG2 ILE 37 - HG LEU 122 far 0 68 0 - 8.8-15.5 QG1 VAL 112 - HG LEU 122 far 0 40 0 - 8.9-14.8 QD1 LEU 119 - HG3 ARG 23 far 0 99 0 - 9.0-30.3 QG1 VAL 105 - HG LEU 122 far 0 54 0 - 9.1-13.2 QD1 LEU 119 - HG LEU 70 far 0 92 0 - 9.5-13.9 QG2 VAL 112 - HG LEU 22 far 0 70 0 - 9.6-38.2 QG2 VAL 112 - HG3 ARG 23 far 0 85 0 - 9.8-36.8 QG1 VAL 105 - HG LEU 119 far 0 87 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 3788 from cnoeabs.peaks (8.08, 1.62, 27.00 ppm; 6.27 A): 7 out of 22 assignments used, quality = 1.00: * H ASN 120 + HG LEU 119 OK 100 100 100 100 3.9-5.0 3804/2.1=99...(21) H ASN 120 + HG LEU 122 OK 68 70 100 97 5.0-7.8 7675/4.6=77...(12) H VAL 20 + HG3 ARG 23 OK 67 91 75 97 4.8-9.6 ~11960=45, ~11943=45...(14) H VAL 20 + HG LEU 22 OK 64 77 90 93 3.7-8.5 ~10690=84, ~10680=13...(13) HD22 ASN 85 + HG2 ARG 84 OK 49 63 80 98 3.7-8.8 9806/3.0=30, 9807/3.0=27...(25) HD22 ASN 85 + HG3 ARG 84 OK 49 63 80 97 3.5-8.3 9806/3.0=30, 9807/3.0=27...(25) H THR 25 + HG3 ARG 23 OK 40 66 80 76 4.4-9.2 6228/4.6=64, 6240/3.8=18...(5) H LEU 103 - HG LEU 122 poor 16 68 70 34 5.6-9.1 11705/398=7, 3.9/3880=6...(9) H THR 25 - HG LEU 22 poor 13 53 25 - 6.5-9.8 H ALA 109 - HG LEU 119 far 10 99 10 - 5.8-13.7 H ALA 108 - HG3 ARG 23 far 10 99 10 - 5.7-41.3 H ALA 109 - HG3 ARG 23 far 10 98 10 - 7.1-42.2 H ALA 108 - HG LEU 119 far 5 100 5 - 7.5-14.0 H ALA 108 - HG LEU 70 far 5 91 5 - 7.6-14.5 H LEU 103 - HG LEU 70 far 5 91 5 - 7.1-10.3 H LEU 103 - HG LEU 119 far 0 100 0 - 7.9-12.0 H ALA 108 - HG LEU 22 far 0 86 0 - 8.4-43.0 H ALA 109 - HG LEU 22 far 0 85 0 - 8.5-43.7 H ALA 108 - HG LEU 122 far 0 69 0 - 8.8-15.0 H ALA 109 - HG LEU 122 far 0 68 0 - 9.2-15.9 H LEU 103 - HG3 ARG 23 far 0 99 0 - 9.2-35.6 H ALA 109 - HG LEU 70 far 0 90 0 - 9.9-18.2 Violated in 0 structures by 0.00 A. Peak 3789 from cnoeabs.peaks (7.54, 0.80, 23.00 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.7-4.1 4.6=90, 2.8/3790=88...(23) H THR 54 + QD2 LEU 119 OK 32 99 35 92 4.3-13.8 3.6/11621=62, 6680=18...(15) HE22 GLN 27 - QD2 LEU 119 far 5 99 5 - 5.4-23.5 HE22 GLN 61 - QD2 LEU 119 lone 2 89 40 7 4.0-15.2 1643/11621=4, 1685/1683=2 Violated in 0 structures by 0.00 A. Peak 3790 from cnoeabs.peaks (4.03, 0.80, 23.00 ppm; 3.61 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 119 + QD2 LEU 119 OK 100 100 100 100 2.0-3.8 3.9=80, 3798/2.1=67...(22) HA SER 50 - QD2 LEU 119 far 0 60 0 - 5.6-13.7 HA SER 60 - QD2 LEU 119 far 0 90 0 - 5.6-14.1 HB3 SER 99 - QD2 LEU 119 far 0 83 0 - 5.9-9.5 HA LEU 103 - QD2 LEU 119 far 0 98 0 - 6.5-9.8 HB3 SER 124 - QD2 LEU 119 far 0 100 0 - 7.0-9.5 HA LEU 122 - QD2 LEU 119 far 0 73 0 - 7.2-9.1 HA LEU 96 - QD2 LEU 119 far 0 90 0 - 8.6-10.9 HA LYS 95 - QD2 LEU 119 far 0 99 0 - 8.8-13.8 HA GLU 102 - QD2 LEU 119 far 0 71 0 - 9.8-12.9 Violated in 1 structures by 0.01 A. Peak 3791 from cnoeabs.peaks (1.54, 0.80, 23.00 ppm; 3.77 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 123 + QD2 LEU 119 OK 48 78 70 87 2.3-8.4 3756/3790=16...(29) HB2 LEU 53 + QD2 LEU 119 OK 32 73 45 96 1.8-10.9 3.0/11621=52...(38) HG LEU 103 - QD2 LEU 119 far 10 97 10 - 4.7-8.7 HG LEU 49 - QD2 LEU 119 far 0 65 0 - 6.8-14.5 Violated in 0 structures by 0.00 A. Peak 3792 from cnoeabs.peaks (1.87, 0.80, 23.00 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 119 + QD2 LEU 119 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 123 + QD2 LEU 119 OK 32 99 35 93 4.2-8.2 3757/3790=25...(32) HB3 LEU 48 - QD2 LEU 119 far 0 78 0 - 8.9-18.5 Violated in 0 structures by 0.00 A. Peak 3793 from cnoeabs.peaks (1.62, 0.80, 23.00 ppm; 3.38 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 119 + QD2 LEU 119 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 62 + QD2 LEU 119 OK 59 68 90 97 1.8-9.5 10992=27, 2.1/3795=25...(40) HB2 LEU 123 + QD2 LEU 119 OK 24 63 50 78 3.5-7.2 1.8/3792=13, 3.0/3791=12...(26) HG LEU 122 - QD2 LEU 119 far 0 89 0 - 5.1-7.5 HB2 LEU 122 - QD2 LEU 119 far 0 95 0 - 5.5-7.6 HG LEU 70 - QD2 LEU 119 far 0 97 0 - 9.0-13.3 Violated in 0 structures by 0.00 A. Peak 3794 from cnoeabs.peaks (0.80, 0.80, 23.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 119 + QD2 LEU 119 OK 100 100 - 100 Peak 3795 from cnoeabs.peaks (0.94, 0.80, 23.00 ppm; 2.76 A): 3 out of 13 assignments used, quality = 1.00: * QD1 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 + QD2 LEU 119 OK 47 63 90 83 1.7-8.2 2.1/10992=22...(32) QD2 LEU 53 + QD2 LEU 119 OK 23 71 50 65 1.9-9.1 3.8/11621=21, 1683=14...(17) QD1 LEU 123 - QD2 LEU 119 poor 19 93 20 - 2.9-8.4 QG1 VAL 57 - QD2 LEU 119 far 5 99 5 - 4.0-12.6 QG1 VAL 112 - QD2 LEU 119 far 0 68 0 - 4.6-9.6 QD1 LEU 49 - QD2 LEU 119 far 0 60 0 - 5.0-10.6 QG2 VAL 126 - QD2 LEU 119 far 0 78 0 - 5.3-10.4 QG1 VAL 126 - QD2 LEU 119 far 0 92 0 - 5.8-9.4 QG2 VAL 112 - QD2 LEU 119 far 0 87 0 - 6.0-11.0 QD1 LEU 48 - QD2 LEU 119 far 0 87 0 - 6.2-13.7 QG1 VAL 105 - QD2 LEU 119 far 0 87 0 - 9.1-12.1 QG2 ILE 37 - QD2 LEU 119 far 0 99 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 3796 from cnoeabs.peaks (8.08, 0.80, 23.00 ppm; 5.39 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + QD2 LEU 119 OK 100 100 100 100 1.9-5.0 3.6/3790=94, 3804/2.1=89...(27) H ALA 109 - QD2 LEU 119 far 10 99 10 - 4.7-12.2 H ALA 108 - QD2 LEU 119 far 5 100 5 - 6.4-12.6 H LEU 103 - QD2 LEU 119 far 0 100 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 3797 from cnoeabs.peaks (7.54, 0.94, 25.07 ppm; 4.10 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + QD1 LEU 119 OK 100 100 100 100 1.7-3.9 3781/2.1=74, 4.6=71...(18) H THR 54 - QD1 LEU 119 poor 20 99 20 - 4.8-13.0 HE22 GLN 61 - QD1 LEU 119 far 4 89 5 - 5.5-13.8 HE22 GLN 27 - QD1 LEU 119 far 0 99 0 - 6.8-24.5 Violated in 0 structures by 0.00 A. Peak 3798 from cnoeabs.peaks (4.03, 0.94, 25.07 ppm; 3.93 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 119 + QD1 LEU 119 OK 100 100 100 100 2.0-4.0 3790/2.1=88, 4.1=87...(15) HA LEU 103 - QD1 LEU 119 far 5 98 5 - 4.1-10.2 HB3 SER 99 - QD1 LEU 119 far 4 83 5 - 3.9-9.6 HA LEU 122 - QD1 LEU 119 far 0 73 0 - 6.6-9.4 HA LEU 96 - QD1 LEU 119 far 0 90 0 - 6.8-11.5 HA SER 60 - QD1 LEU 119 far 0 90 0 - 7.3-12.1 HA SER 50 - QD1 LEU 119 far 0 60 0 - 7.3-12.6 HA GLU 102 - QD1 LEU 119 far 0 71 0 - 7.4-13.6 HA LYS 95 - QD1 LEU 119 far 0 99 0 - 7.5-14.6 HB3 SER 124 - QD1 LEU 119 far 0 100 0 - 7.8-9.8 Violated in 3 structures by 0.00 A. Peak 3799 from cnoeabs.peaks (1.54, 0.94, 25.07 ppm; 3.34 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 2.2-3.1 3.0=100 HB2 LEU 53 + QD1 LEU 119 OK 22 73 35 86 3.6-9.9 ~11621=23, 3791/2.1=11...(38) HG LEU 123 - QD1 LEU 119 far 4 78 5 - 4.7-7.7 HG LEU 103 - QD1 LEU 119 far 0 97 0 - 5.5-8.5 HG LEU 49 - QD1 LEU 119 far 0 65 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 3800 from cnoeabs.peaks (1.87, 0.94, 25.07 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + QD1 LEU 119 OK 100 100 100 100 1.9-3.2 3.0=100 HB3 LEU 123 - QD1 LEU 119 far 0 99 0 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 3801 from cnoeabs.peaks (1.62, 0.94, 25.07 ppm; 3.06 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 119 + QD1 LEU 119 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 62 + QD1 LEU 119 OK 30 68 50 89 3.7-7.7 3793/2.1=23...(34) HB2 LEU 122 - QD1 LEU 119 far 5 95 5 - 4.3-8.6 HB2 LEU 123 - QD1 LEU 119 far 0 63 0 - 5.2-8.0 HG LEU 122 - QD1 LEU 119 far 0 89 0 - 5.3-8.4 HG3 ARG 23 - QD1 LEU 119 far 0 100 0 - 9.0-30.3 HG LEU 70 - QD1 LEU 119 far 0 97 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 3802 from cnoeabs.peaks (0.80, 0.94, 25.07 ppm; 2.70 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 103 - QD1 LEU 119 far 13 85 15 - 3.5-6.5 QD1 LEU 53 - QD1 LEU 119 far 10 99 10 - 4.1-8.4 QD2 LEU 122 - QD1 LEU 119 far 0 93 0 - 4.2-8.0 QD1 LEU 122 - QD1 LEU 119 far 0 99 0 - 4.4-7.7 QG1 VAL 63 - QD1 LEU 119 far 0 87 0 - 6.4-9.6 QD1 LEU 96 - QD1 LEU 119 far 0 60 0 - 7.0-11.4 QD2 LEU 49 - QD1 LEU 119 far 0 100 0 - 7.6-9.9 QD1 LEU 70 - QD1 LEU 119 far 0 87 0 - 8.3-11.7 QD1 ILE 32 - QD1 LEU 119 far 0 73 0 - 9.2-14.4 Violated in 0 structures by 0.00 A. Peak 3803 from cnoeabs.peaks (0.94, 0.94, 25.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 119 + QD1 LEU 119 OK 100 100 - 100 Peak 3804 from cnoeabs.peaks (8.08, 0.94, 25.07 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 120 + QD1 LEU 119 OK 100 100 100 100 2.6-4.7 3.6/3798=76...(20) H ALA 109 - QD1 LEU 119 far 10 99 10 - 3.5-13.2 H ALA 108 - QD1 LEU 119 far 5 100 5 - 4.7-13.3 H LEU 103 - QD1 LEU 119 far 5 100 5 - 5.2-11.0 Violated in 0 structures by 0.00 A. Peak 3805 from cnoeabs.peaks (8.08, 4.42, 56.05 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 120 + HA ASN 120 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3806 from cnoeabs.peaks (4.42, 4.42, 56.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 120 + HA ASN 120 OK 100 100 - 100 Peak 3807 from cnoeabs.peaks (2.80, 4.42, 56.05 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 120 + HA ASN 120 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 3808 from cnoeabs.peaks (2.80, 4.42, 56.05 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: HB2 ASN 120 + HA ASN 120 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 3809 from cnoeabs.peaks (7.60, 4.42, 56.05 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.99: * HD21 ASN 120 + HA ASN 120 OK 99 100 100 99 3.4-4.1 7678=95, 7677/2.9=56...(8) Violated in 0 structures by 0.00 A. Peak 3811 from cnoeabs.peaks (8.12, 4.42, 56.05 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HA ASN 120 OK 100 100 100 100 3.3-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3813 from cnoeabs.peaks (1.65, 4.42, 56.05 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 123 + HA ASN 120 OK 100 100 100 100 2.1-4.6 3918=100, 1.8/3927=83...(24) HG LEU 62 - HA ASN 120 far 15 100 15 - 4.9-11.1 HG LEU 119 - HA ASN 120 far 0 63 0 - 6.2-6.6 Violated in 1 structures by 0.00 A. Peak 3814 from cnoeabs.peaks (1.88, 4.42, 56.05 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 119 + HA ASN 120 OK 99 100 100 100 4.0-4.8 11552/7738=47...(31) * HB3 LEU 123 + HA ASN 120 OK 98 98 100 100 2.4-3.5 1.8/3813=88, 3927=87...(22) Violated in 0 structures by 0.00 A. Peak 3815 from cnoeabs.peaks (8.08, 2.80, 37.77 ppm; 3.93 A): 3 out of 6 assignments used, quality = 1.00: H ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.1-3.7 3.8=100 * H ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.3-3.6 3.8=100 H ASN 120 + HB2 ASN 121 OK 42 100 45 94 4.3-6.1 10299/1.8=56...(16) H LEU 103 - HB2 ASN 121 far 0 99 0 - 7.7-11.3 H ALA 108 - HB2 ASN 121 far 0 99 0 - 8.3-17.9 H ALA 109 - HB2 ASN 121 far 0 99 0 - 8.5-18.8 Violated in 0 structures by 0.00 A. Peak 3816 from cnoeabs.peaks (4.42, 2.80, 37.77 ppm; 3.67 A): 2 out of 9 assignments used, quality = 1.00: * HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-3.0 3.0=100 HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 54 - HB2 ASN 120 far 5 100 5 - 4.2-10.4 HA THR 54 - HB3 ASN 120 far 5 100 5 - 5.2-11.6 HA ASN 120 - HB2 ASN 121 far 0 100 0 - 5.7-6.6 HA THR 115 - HB3 ASN 120 far 0 73 0 - 7.0-12.7 HA THR 115 - HB2 ASN 120 far 0 73 0 - 8.0-13.0 HA THR 115 - HB2 ASN 121 far 0 72 0 - 9.8-13.5 HA THR 54 - HB2 ASN 121 far 0 100 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 3817 from cnoeabs.peaks (2.80, 2.80, 37.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 * HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB2 ASN 121 + HB2 ASN 121 OK 100 100 - 100 Peak 3818 from cnoeabs.peaks (2.80, 2.80, 37.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB2 ASN 121 + HB2 ASN 121 OK 100 100 - 100 Reference assignment not found: HB3 ASN 120 - HB2 ASN 120 Peak 3819 from cnoeabs.peaks (7.60, 2.80, 37.77 ppm; 4.11 A): 3 out of 3 assignments used, quality = 1.00: * HD21 ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-3.5 3.5=100 HD21 ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.3-3.5 3.5=100 HD21 ASN 120 + HB2 ASN 121 OK 27 100 40 69 3.0-7.9 7696/3.8=27, ~11626=13...(13) Violated in 0 structures by 0.00 A. Peak 3820 from cnoeabs.peaks (6.77, 2.80, 37.77 ppm; 4.73 A): 3 out of 3 assignments used, quality = 1.00: * HD22 ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 120 + HB3 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 HD22 ASN 120 + HB2 ASN 121 OK 27 100 35 78 2.9-9.3 7697/3.8=31, ~11626=18...(12) Violated in 0 structures by 0.00 A. Peak 3821 from cnoeabs.peaks (8.12, 2.80, 37.77 ppm; 4.00 A): 3 out of 3 assignments used, quality = 1.00: H ASN 121 + HB2 ASN 121 OK 100 100 100 100 2.5-3.6 3.8=100 * H ASN 121 + HB2 ASN 120 OK 98 100 100 98 2.8-4.3 4.4=73, 2.9/11626=32...(24) H ASN 121 + HB3 ASN 120 OK 98 100 100 98 3.0-4.3 4.4=73, 2.9/11626=36...(20) Violated in 0 structures by 0.00 A. Peak 3822 from cnoeabs.peaks (8.08, 2.80, 37.77 ppm; 3.93 A): 3 out of 6 assignments used, quality = 1.00: * H ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.1-3.7 3.8=100 H ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.3-3.6 3.8=100 H ASN 120 + HB2 ASN 121 OK 42 100 45 94 4.3-6.1 10299/1.8=56...(16) H LEU 103 - HB2 ASN 121 far 0 99 0 - 7.7-11.3 H ALA 108 - HB2 ASN 121 far 0 99 0 - 8.3-17.9 H ALA 109 - HB2 ASN 121 far 0 99 0 - 8.5-18.8 Violated in 0 structures by 0.00 A. Peak 3823 from cnoeabs.peaks (4.42, 2.80, 37.77 ppm; 3.67 A): 2 out of 9 assignments used, quality = 1.00: HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-3.0 3.0=100 * HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 54 - HB2 ASN 120 far 5 100 5 - 4.2-10.4 HA THR 54 - HB3 ASN 120 far 5 100 5 - 5.2-11.6 HA ASN 120 - HB2 ASN 121 far 0 100 0 - 5.7-6.6 HA THR 115 - HB3 ASN 120 far 0 73 0 - 7.0-12.7 HA THR 115 - HB2 ASN 120 far 0 73 0 - 8.0-13.0 HA THR 115 - HB2 ASN 121 far 0 72 0 - 9.8-13.5 HA THR 54 - HB2 ASN 121 far 0 100 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 3824 from cnoeabs.peaks (2.80, 2.80, 37.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB2 ASN 121 + HB2 ASN 121 OK 100 100 - 100 Reference assignment not found: HB2 ASN 120 - HB3 ASN 120 Peak 3825 from cnoeabs.peaks (2.80, 2.80, 37.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB2 ASN 121 + HB2 ASN 121 OK 100 100 - 100 Peak 3826 from cnoeabs.peaks (7.60, 2.80, 37.77 ppm; 4.11 A): 3 out of 3 assignments used, quality = 1.00: HD21 ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-3.5 3.5=100 * HD21 ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.3-3.5 3.5=100 HD21 ASN 120 + HB2 ASN 121 OK 27 100 40 69 3.0-7.9 7696/3.8=27, ~11626=13...(13) Violated in 0 structures by 0.00 A. Peak 3827 from cnoeabs.peaks (6.77, 2.80, 37.77 ppm; 4.73 A): 3 out of 3 assignments used, quality = 1.00: HD22 ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 * HD22 ASN 120 + HB3 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 HD22 ASN 120 + HB2 ASN 121 OK 27 100 35 78 2.9-9.3 7697/3.8=31, ~11626=18...(12) Violated in 0 structures by 0.00 A. Peak 3828 from cnoeabs.peaks (8.12, 2.80, 37.77 ppm; 4.00 A): 3 out of 3 assignments used, quality = 1.00: H ASN 121 + HB2 ASN 121 OK 100 100 100 100 2.5-3.6 3.8=100 H ASN 121 + HB2 ASN 120 OK 98 100 100 98 2.8-4.3 4.4=73, 2.9/11626=32...(24) * H ASN 121 + HB3 ASN 120 OK 98 100 100 98 3.0-4.3 4.4=73, 2.9/11626=36...(20) Violated in 0 structures by 0.00 A. Peak 3829 from cnoeabs.peaks (8.12, 4.49, 56.15 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HA ASN 121 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3830 from cnoeabs.peaks (4.49, 4.49, 56.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HA ASN 121 OK 100 100 - 100 Peak 3831 from cnoeabs.peaks (2.80, 4.49, 56.15 ppm; 3.54 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA ASN 121 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 ASN 120 + HA ASN 121 OK 69 100 75 92 4.2-5.5 11626=49, 1.8/11626=33...(21) HB2 ASN 120 + HA ASN 121 OK 60 100 65 93 4.1-5.5 11626=43, 1.8/11626=37...(23) Violated in 0 structures by 0.00 A. Peak 3832 from cnoeabs.peaks (2.98, 4.49, 56.15 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 121 + HA ASN 121 OK 100 100 100 100 3.0-3.0 3.0=100 HE3 LYS 24 - HA ASN 121 far 0 95 0 - 8.7-35.1 Violated in 0 structures by 0.00 A. Peak 3833 from cnoeabs.peaks (6.88, 4.49, 56.15 ppm; 5.91 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HA ASN 121 OK 100 100 100 100 4.0-4.8 4.5=100 Violated in 0 structures by 0.00 A. Peak 3834 from cnoeabs.peaks (7.78, 4.49, 56.15 ppm; 5.59 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 121 + HA ASN 121 OK 100 100 100 100 3.3-4.5 4.5=100 H VAL 118 + HA ASN 121 OK 64 71 90 100 6.5-7.2 2.8/11605=76...(17) Violated in 0 structures by 0.00 A. Peak 3835 from cnoeabs.peaks (8.18, 4.49, 56.15 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 122 + HA ASN 121 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 127 - HA ASN 121 far 0 93 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 3836 from cnoeabs.peaks (7.95, 4.49, 56.15 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * H SER 124 + HA ASN 121 OK 100 100 100 100 3.5-4.3 7758=100, 7769/3968=67...(15) HD22 ASN 116 - HA ASN 121 far 0 60 0 - 8.7-13.1 Violated in 0 structures by 0.00 A. Peak 3837 from cnoeabs.peaks (4.00, 4.49, 56.15 ppm; 4.53 A): 2 out of 4 assignments used, quality = 1.00: * HB2 SER 124 + HA ASN 121 OK 100 100 100 100 3.8-4.4 3968=100, 1.8/3974=93...(11) HB3 SER 99 + HA ASN 121 OK 50 97 85 61 4.4-6.7 11475/10324=33...(8) HA LYS 95 - HA ASN 121 far 0 73 0 - 6.9-9.5 HA SER 50 - HA ASN 121 far 0 100 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 3838 from cnoeabs.peaks (4.03, 4.49, 56.15 ppm; 4.27 A): 3 out of 7 assignments used, quality = 1.00: * HB3 SER 124 + HA ASN 121 OK 100 100 100 100 2.5-4.0 3974=100, 1.8/3968=88...(13) HA LEU 122 + HA ASN 121 OK 80 83 100 97 4.7-4.8 4.9=65, 3.0/10323=34...(15) HB3 SER 99 + HA ASN 121 OK 31 73 85 50 4.4-6.7 11475/10324=19...(8) HA LEU 96 - HA ASN 121 far 14 96 15 - 4.5-7.7 HA LEU 119 - HA ASN 121 far 0 100 0 - 6.6-7.2 HA LYS 95 - HA ASN 121 far 0 97 0 - 6.9-9.5 HA ALA 92 - HA ASN 121 far 0 87 0 - 6.9-11.5 Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (3.81, 2.80, 37.82 ppm; 5.56 A): 3 out of 5 assignments used, quality = 1.00: * HA VAL 118 + HB2 ASN 121 OK 100 100 100 100 2.5-3.7 3735/1.8=100...(38) HA VAL 118 + HB2 ASN 120 OK 94 100 95 99 4.9-7.3 7689/4.4=74, 7661/3.8=63...(20) HA VAL 118 + HB3 ASN 120 OK 89 100 90 99 5.6-7.1 7689/4.4=74, 7661/3.8=63...(20) HB2 SER 50 - HB2 ASN 120 far 0 77 0 - 9.8-14.1 HB2 SER 50 - HB3 ASN 120 far 0 77 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 3840 from cnoeabs.peaks (8.12, 2.80, 37.82 ppm; 5.86 A): 3 out of 3 assignments used, quality = 1.00: * H ASN 121 + HB2 ASN 121 OK 100 100 100 100 2.5-3.6 3.8=100 H ASN 121 + HB2 ASN 120 OK 100 100 100 100 2.8-4.3 4.4=100 H ASN 121 + HB3 ASN 120 OK 100 100 100 100 3.0-4.3 4.4=100 Violated in 0 structures by 0.00 A. Peak 3841 from cnoeabs.peaks (4.49, 2.80, 37.82 ppm; 4.92 A): 3 out of 5 assignments used, quality = 1.00: * HA ASN 121 + HB2 ASN 121 OK 100 100 100 100 2.3-2.6 3.0=100 HA ASN 121 + HB2 ASN 120 OK 98 100 100 99 4.1-5.5 3831/1.8=33, 2.9/7699=29...(28) HA ASN 121 + HB3 ASN 120 OK 98 100 100 98 4.2-5.5 3831=33, 2.9/7699=29...(26) HB THR 54 - HB2 ASN 120 far 0 72 0 - 6.5-12.3 HB THR 54 - HB3 ASN 120 far 0 72 0 - 7.6-13.6 Violated in 0 structures by 0.00 A. Peak 3842 from cnoeabs.peaks (2.80, 2.80, 37.82 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HB2 ASN 121 OK 100 100 - 100 HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 Peak 3843 from cnoeabs.peaks (2.98, 2.80, 37.82 ppm; 3.25 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASN 121 + HB2 ASN 121 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 121 - HB2 ASN 120 far 0 100 0 - 5.0-6.8 HB3 ASN 121 - HB3 ASN 120 far 0 100 0 - 5.3-6.4 HE3 LYS 24 - HB2 ASN 121 far 0 95 0 - 6.4-35.9 HE2 LYS 24 - HB2 ASN 121 far 0 85 0 - 8.0-34.5 Violated in 0 structures by 0.00 A. Peak 3844 from cnoeabs.peaks (6.88, 2.80, 37.82 ppm; 4.93 A): 3 out of 3 assignments used, quality = 1.00: * HD21 ASN 121 + HB2 ASN 121 OK 100 100 100 100 3.7-4.1 3.5=100 HD21 ASN 121 + HB2 ASN 120 OK 39 100 45 88 4.2-9.5 7706/4.4=45...(18) HD21 ASN 121 + HB3 ASN 120 OK 34 100 40 86 4.9-9.2 7706/4.4=45...(17) Violated in 0 structures by 0.00 A. Peak 3845 from cnoeabs.peaks (7.78, 2.80, 37.82 ppm; 4.55 A): 4 out of 8 assignments used, quality = 1.00: * HD22 ASN 121 + HB2 ASN 121 OK 100 100 100 100 2.7-3.5 3.5=100 H VAL 118 + HB2 ASN 121 OK 60 71 85 100 4.6-6.2 2.8/3839=76...(23) HD22 ASN 121 + HB2 ASN 120 OK 30 100 35 85 4.6-8.4 7712/4.4=43...(19) H VAL 118 + HB2 ASN 120 OK 23 70 35 96 5.8-8.1 4.3/10301=51...(19) HD22 ASN 121 - HB3 ASN 120 poor 20 100 20 - 4.9-8.0 H VAL 118 - HB3 ASN 120 poor 17 70 25 - 5.6-7.9 H GLU 55 - HB2 ASN 120 far 0 62 0 - 6.8-11.4 H GLU 55 - HB3 ASN 120 far 0 62 0 - 7.2-12.9 Violated in 0 structures by 0.00 A. Peak 3846 from cnoeabs.peaks (8.18, 2.80, 37.82 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 122 + HB2 ASN 121 OK 100 100 100 100 3.0-3.7 4.3=100 H LEU 122 + HB2 ASN 120 OK 100 100 100 100 5.4-6.9 7675/3.8=92, 7721/3.0=75...(17) H LEU 122 + HB3 ASN 120 OK 100 100 100 100 5.5-6.6 7675/3.8=92, 7721/3.0=75...(15) H GLN 127 - HB3 ASN 120 far 0 92 0 - 8.7-11.1 H GLN 127 - HB2 ASN 121 far 0 93 0 - 8.8-10.4 H GLN 127 - HB2 ASN 120 far 0 92 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3847 from cnoeabs.peaks (3.81, 2.98, 37.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + HB3 ASN 121 OK 100 100 100 100 1.7-2.1 3735=100, 3839/1.8=100...(36) Violated in 0 structures by 0.00 A. Peak 3848 from cnoeabs.peaks (8.12, 2.98, 37.82 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HB3 ASN 121 OK 100 100 100 100 2.2-2.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 3849 from cnoeabs.peaks (4.49, 2.98, 37.82 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HB3 ASN 121 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3850 from cnoeabs.peaks (2.80, 2.98, 37.82 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HB3 ASN 121 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 120 - HB3 ASN 121 far 0 100 0 - 5.0-6.8 HB3 ASN 120 - HB3 ASN 121 far 0 100 0 - 5.3-6.4 Violated in 0 structures by 0.00 A. Peak 3851 from cnoeabs.peaks (2.98, 2.98, 37.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 121 + HB3 ASN 121 OK 100 100 - 100 Peak 3852 from cnoeabs.peaks (6.88, 2.98, 37.82 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HB3 ASN 121 OK 100 100 100 100 3.4-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 3853 from cnoeabs.peaks (7.78, 2.98, 37.82 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 121 + HB3 ASN 121 OK 100 100 100 100 2.1-2.5 3.5=100 H VAL 118 + HB3 ASN 121 OK 71 71 100 100 4.1-4.8 2.8/3735=70, ~3839=45...(21) HD22 ASN 59 - HB3 ASN 121 far 0 92 0 - 9.4-13.9 Violated in 0 structures by 0.00 A. Peak 3854 from cnoeabs.peaks (8.18, 2.98, 37.82 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 122 + HB3 ASN 121 OK 100 100 100 100 1.9-2.8 4.3=100 H VAL 63 - HB3 ASN 121 far 0 87 0 - 8.9-15.9 H GLN 127 - HB3 ASN 121 far 0 93 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 3855 from cnoeabs.peaks (8.18, 4.05, 58.49 ppm; 4.33 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 122 + HA LEU 122 OK 100 100 100 100 2.8-2.8 2.9=100 H LEU 122 + HA LEU 96 OK 77 89 90 96 3.9-6.0 7728=26, 3.5/3858=16...(48) H GLN 127 - HA LEU 122 poor 19 93 20 - 5.6-6.7 H GLN 127 - HA LEU 96 far 4 79 5 - 5.8-8.3 H VAL 63 - HA LEU 122 far 0 87 0 - 9.1-12.9 Violated in 0 structures by 0.00 A. Peak 3856 from cnoeabs.peaks (4.05, 4.05, 58.49 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LEU 122 + HA LEU 122 OK 100 100 - 100 HA GLU 102 + HA GLU 102 OK 99 99 - 100 HA LEU 96 + HA LEU 96 OK 86 86 - 100 HA GLU 44 + HA GLU 44 OK 60 60 - 100 Peak 3857 from cnoeabs.peaks (1.61, 4.05, 58.49 ppm; 4.69 A): 5 out of 12 assignments used, quality = 1.00: * HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 122 + HA LEU 122 OK 100 100 100 100 3.5-4.2 4.3=100 HB2 LEU 122 + HA LEU 96 OK 89 89 100 99 3.0-5.4 3.5/3855=28, 3.1/3901=25...(60) HG LEU 122 + HA LEU 96 OK 86 88 100 98 3.4-6.1 2.1/3901=29, 3885=25...(38) HG LEU 70 + HA LEU 96 OK 40 89 45 99 5.2-7.3 ~11916=30, ~9496=30...(33) HG LEU 70 - HA LEU 122 far 10 100 10 - 5.9-8.2 HG3 ARG 23 - HA GLU 102 far 0 86 0 - 7.3-36.7 HG LEU 70 - HA GLU 102 far 0 99 0 - 8.3-11.6 HG LEU 119 - HA LEU 122 far 0 95 0 - 8.5-10.2 HG LEU 122 - HA GLU 102 far 0 98 0 - 8.8-12.3 HB2 LEU 122 - HA GLU 102 far 0 99 0 - 9.0-10.6 HG LEU 119 - HA LEU 96 far 0 80 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3858 from cnoeabs.peaks (1.79, 4.05, 58.49 ppm; 3.96 A): 6 out of 26 assignments used, quality = 1.00: * HB3 LEU 122 + HA LEU 122 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 LEU 122 + HA LEU 96 OK 88 89 100 98 1.9-5.0 11678/11689=26...(59) HB3 LEU 103 + HA GLU 102 OK 56 99 60 95 5.3-5.9 7488/7484=45...(20) HB2 LEU 100 + HA LEU 122 OK 37 63 65 92 3.9-6.0 3870/3.0=19, 3.9/7388=13...(37) HB2 LEU 100 + HA LEU 96 OK 37 50 95 78 3.8-5.5 3115/5.0=22...(24) HB3 LEU 98 + HA LEU 96 OK 22 85 30 88 5.2-7.0 2963/4.9=34, 9998/3.6=16...(24) HB2 LEU 48 - HA GLU 44 poor 18 52 35 - 4.8-7.1 HG LEU 100 - HA LEU 122 far 4 89 5 - 5.3-7.5 HG LEU 100 - HA LEU 96 far 4 74 5 - 5.3-8.1 HB3 LYS 26 - HA GLU 102 far 3 68 5 - 3.0-28.3 HB3 LEU 123 - HA LEU 122 far 0 39 0 - 5.5-6.5 HB3 LEU 98 - HA LEU 122 far 0 98 0 - 5.6-9.7 HB2 LYS 36 - HA GLU 44 far 0 39 0 - 6.7-15.6 HB3 LYS 26 - HA GLU 44 far 0 35 0 - 6.8-28.6 HG LEU 100 - HA GLU 102 far 0 86 0 - 6.9-9.1 HB3 LYS 19 - HA GLU 44 far 0 46 0 - 6.9-36.5 HB3 LEU 103 - HA LEU 122 far 0 100 0 - 7.1-8.9 HB2 LEU 100 - HA GLU 102 far 0 60 0 - 7.2-8.0 HB3 LEU 123 - HA LEU 96 far 0 31 0 - 7.3-8.9 HB3 LEU 98 - HA GLU 102 far 0 96 0 - 7.4-8.9 HB3 LEU 103 - HA LEU 96 far 0 89 0 - 7.4-9.3 HB3 ARG 23 - HA GLU 102 far 0 57 0 - 8.4-33.8 HB ILE 32 - HA GLU 44 far 0 37 0 - 8.5-17.9 HB3 LEU 122 - HA GLU 102 far 0 99 0 - 9.0-11.4 HB3 LYS 31 - HA GLU 44 far 0 46 0 - 9.5-24.2 HB3 LYS 24 - HA GLU 44 far 0 43 0 - 9.9-28.7 Violated in 0 structures by 0.00 A. Peak 3859 from cnoeabs.peaks (1.60, 4.05, 58.49 ppm; 4.69 A): 6 out of 16 assignments used, quality = 1.00: * HG LEU 122 + HA LEU 122 OK 100 100 100 100 3.5-4.2 4.3=100 HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 122 + HA LEU 96 OK 88 88 100 99 3.0-5.4 3.5/3855=28, 3.1/3901=25...(60) HG LEU 122 + HA LEU 96 OK 87 89 100 98 3.4-6.1 2.1/3901=29, 3885=25...(39) HB2 LEU 103 + HA GLU 102 OK 58 63 95 98 5.7-6.3 4.6/7484=59...(18) HG LEU 70 + HA LEU 96 OK 39 87 45 99 5.2-7.3 ~11916=30, ~9496=30...(32) HG LEU 70 - HA LEU 122 far 10 99 10 - 5.9-8.2 HB2 LEU 103 - HA LEU 122 far 0 65 0 - 7.3-10.2 HG3 ARG 23 - HA GLU 102 far 0 77 0 - 7.3-36.7 HB2 LEU 103 - HA LEU 96 far 0 52 0 - 7.8-10.0 HG LEU 70 - HA GLU 102 far 0 97 0 - 8.3-11.6 HG LEU 119 - HA LEU 122 far 0 89 0 - 8.5-10.2 HG LEU 122 - HA GLU 102 far 0 99 0 - 8.8-12.3 HB2 LEU 122 - HA GLU 102 far 0 98 0 - 9.0-10.6 HG2 ARG 23 - HA GLU 102 far 0 57 0 - 9.1-35.9 HG LEU 119 - HA LEU 96 far 0 74 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3860 from cnoeabs.peaks (0.81, 4.05, 58.49 ppm; 3.55 A): 5 out of 29 assignments used, quality = 1.00: * QD1 LEU 122 + HA LEU 122 OK 98 100 100 98 2.7-4.1 3.8=79, 3899/3.6=27...(25) QD2 LEU 122 + HA LEU 122 OK 80 83 100 97 2.1-4.1 3.9=73, 2.1/3893=24...(31) QD1 LEU 70 + HA LEU 96 OK 66 82 85 96 3.7-7.0 11101/5.0=22...(37) QD2 LEU 122 + HA LEU 96 OK 54 68 90 88 1.9-5.7 3901=21, 2.1/3893=13...(37) QD1 LEU 122 + HA LEU 96 OK 49 89 60 91 2.1-5.9 2.1/3901=20, 3893=19...(39) QD1 LEU 70 - HA LEU 122 poor 16 96 25 68 3.9-8.4 3872/3.0=12, 3895/3.0=12...(25) QD1 LEU 53 - HA LEU 122 far 5 95 5 - 5.0-8.5 QD1 LEU 103 - HA GLU 102 far 0 68 0 - 5.1-6.7 QD2 LEU 49 - HA LEU 122 far 0 97 0 - 5.2-8.8 QD1 LEU 53 - HA LEU 96 far 0 80 0 - 5.7-10.4 QG1 VAL 63 - HA GLU 102 far 0 70 0 - 6.1-8.7 QD2 LEU 49 - HA LEU 96 far 0 84 0 - 6.4-8.7 QD1 LEU 70 - HA GLU 102 far 0 93 0 - 6.5-9.8 QD2 LEU 49 - HA GLU 44 far 0 55 0 - 6.8-8.4 QG2 ILE 129 - HA LEU 96 far 0 77 0 - 6.9-8.9 QG1 VAL 133 - HA GLU 44 far 0 28 0 - 7.2-10.3 QD1 ILE 37 - HA GLU 44 far 0 31 0 - 7.2-12.4 QD2 LEU 119 - HA LEU 122 far 0 99 0 - 7.2-9.1 QD1 LEU 103 - HA LEU 122 far 0 71 0 - 7.3-10.0 QD2 LEU 122 - HA GLU 102 far 0 80 0 - 7.7-10.3 QG2 ILE 129 - HA LEU 122 far 0 92 0 - 7.9-9.6 QG1 VAL 63 - HA LEU 122 far 0 73 0 - 8.0-10.9 QD1 LEU 103 - HA LEU 96 far 0 57 0 - 8.1-10.5 QD2 LEU 119 - HA LEU 96 far 0 87 0 - 8.6-10.9 QD1 LEU 122 - HA GLU 102 far 0 99 0 - 8.7-10.3 QG1 VAL 63 - HA LEU 96 far 0 59 0 - 8.7-10.8 QG2 ILE 129 - HA GLU 44 far 0 50 0 - 8.8-10.8 QD2 LEU 119 - HA GLU 102 far 0 98 0 - 9.8-12.9 QD1 ILE 37 - HA LEU 122 far 0 63 0 - 10.0-16.0 Violated in 0 structures by 0.00 A. Peak 3861 from cnoeabs.peaks (0.79, 4.05, 58.49 ppm; 3.42 A): 6 out of 27 assignments used, quality = 1.00: * QD2 LEU 122 + HA LEU 122 OK 96 100 100 96 2.1-4.1 3.9=65, 2.1/3893=23...(32) QD1 LEU 122 + HA LEU 122 OK 79 83 100 95 2.7-4.1 3.8=71, 2.1/3901=24...(24) QD1 LEU 96 + HA LEU 96 OK 74 77 100 96 2.9-4.1 4.0=65, 3106/3.6=24...(28) QD2 LEU 122 + HA LEU 96 OK 72 89 90 90 1.9-5.7 3901=26, 10337/3.0=15...(36) QD1 LEU 122 + HA LEU 96 OK 23 68 40 85 2.1-5.9 2.1/3901=19, 3893=13...(35) QD1 LEU 96 + HA LEU 122 OK 21 92 30 75 3.5-6.5 3.2/3331=14...(24) QD1 ILE 32 - HA GLU 44 far 3 55 5 - 4.4-15.1 QD1 LEU 53 - HA LEU 122 far 0 99 0 - 5.0-8.5 QD1 LEU 103 - HA GLU 102 far 0 98 0 - 5.1-6.7 QD2 LEU 49 - HA LEU 122 far 0 97 0 - 5.2-8.8 QD1 LEU 53 - HA LEU 96 far 0 87 0 - 5.7-10.4 QG1 VAL 63 - HA GLU 102 far 0 98 0 - 6.1-8.7 QD2 LEU 49 - HA LEU 96 far 0 84 0 - 6.4-8.7 QD2 LEU 49 - HA GLU 44 far 0 55 0 - 6.8-8.4 QD1 ILE 37 - HA GLU 44 far 0 57 0 - 7.2-12.4 QD2 LEU 119 - HA LEU 122 far 0 93 0 - 7.2-9.1 QD1 LEU 103 - HA LEU 122 far 0 100 0 - 7.3-10.0 QD2 LEU 122 - HA GLU 102 far 0 99 0 - 7.7-10.3 QD1 LEU 96 - HA GLU 102 far 0 89 0 - 7.8-11.3 QG1 VAL 63 - HA LEU 122 far 0 100 0 - 8.0-10.9 QD1 LEU 103 - HA LEU 96 far 0 88 0 - 8.1-10.5 QD2 LEU 119 - HA LEU 96 far 0 79 0 - 8.6-10.9 QD1 LEU 122 - HA GLU 102 far 0 80 0 - 8.7-10.3 QG1 VAL 63 - HA LEU 96 far 0 88 0 - 8.7-10.8 QD1 ILE 32 - HA GLU 102 far 0 95 0 - 9.7-18.8 QD2 LEU 119 - HA GLU 102 far 0 90 0 - 9.8-12.9 QD1 ILE 37 - HA LEU 122 far 0 99 0 - 10.0-16.0 Violated in 0 structures by 0.00 A. Peak 3862 from cnoeabs.peaks (8.26, 4.05, 58.49 ppm; 4.24 A): 5 out of 14 assignments used, quality = 1.00: * H LEU 123 + HA LEU 122 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 96 + HA LEU 122 OK 87 92 100 95 4.0-5.7 7310=18, 3.8/3331=18...(44) H LEU 96 + HA LEU 96 OK 77 77 100 100 2.7-2.9 2.9=100 H LEU 123 + HA LEU 96 OK 40 89 55 82 4.8-6.2 3.3/3855=25, 7742=19...(19) H LEU 43 + HA GLU 44 OK 26 31 100 83 5.1-5.4 6535/3.6=32...(11) H SER 107 - HA GLU 102 poor 9 68 30 44 3.4-9.4 4.6/11781=27...(5) H ALA 29 - HA GLU 44 far 0 54 0 - 6.1-22.5 H GLU 30 - HA GLU 44 far 0 60 0 - 7.0-22.0 H LYS 31 - HA GLU 44 far 0 34 0 - 7.9-21.9 H GLU 40 - HA GLU 44 far 0 42 0 - 8.3-9.8 H ARG 23 - HA GLU 102 far 0 90 0 - 8.9-36.4 H ASP 131 - HA GLU 44 far 0 54 0 - 9.0-11.0 H SER 33 - HA GLU 44 far 0 32 0 - 9.7-17.2 H ALA 29 - HA LEU 96 far 0 83 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 3863 from cnoeabs.peaks (8.04, 4.05, 58.49 ppm; 4.48 A): 3 out of 9 assignments used, quality = 1.00: * H CYS 125 + HA LEU 122 OK 99 100 100 99 3.2-3.7 7775=36, 7786/2.9=34...(25) H CYS 125 + HA LEU 96 OK 86 89 100 96 3.6-5.7 7775=34, 10359/3.0=29...(24) H LEU 48 + HA GLU 44 OK 60 60 100 100 3.8-4.9 6575=98, 6581/1471=62...(8) H SER 130 - HA LEU 96 far 0 86 0 - 8.7-11.2 H SER 130 - HA GLU 44 far 0 57 0 - 8.8-10.4 H SER 130 - HA LEU 122 far 0 99 0 - 9.1-10.8 H ALA 16 - HA GLU 44 far 0 52 0 - 9.2-36.8 H ALA 52 - HA GLU 44 far 0 50 0 - 9.8-10.8 H VAL 20 - HA GLU 102 far 0 80 0 - 9.9-42.0 Violated in 0 structures by 0.00 A. Peak 3864 from cnoeabs.peaks (2.74, 4.05, 58.49 ppm; 4.64 A): 3 out of 6 assignments used, quality = 1.00: * HB2 CYS 125 + HA LEU 122 OK 99 100 100 99 2.2-4.7 11653/3.0=53...(25) HB2 CYS 125 + HA LEU 96 OK 89 89 100 100 1.9-4.2 11684/11689=46...(34) HB2 ASP 47 + HA GLU 44 OK 43 43 100 100 2.8-3.9 1.8/1477=94, 1471=75...(8) HB2 CYS 73 - HA LEU 96 far 0 82 0 - 7.5-9.4 HB2 CYS 73 - HA LEU 122 far 0 96 0 - 8.2-11.6 HB3 ASP 35 - HA GLU 44 far 0 51 0 - 8.8-17.7 Violated in 0 structures by 0.00 A. Peak 3865 from cnoeabs.peaks (3.21, 4.05, 58.49 ppm; 4.68 A): 2 out of 5 assignments used, quality = 1.00: * HB3 CYS 125 + HA LEU 122 OK 99 100 100 99 2.2-5.0 ~11653=40, 3994=37...(25) HB3 CYS 125 + HA LEU 96 OK 89 89 100 100 1.9-4.7 9987/4.0=63...(33) HB2 HIS 5 - HA GLU 44 far 2 32 5 - 4.4-58.0 HB3 HIS 8 - HA GLU 44 far 0 59 0 - 7.2-49.5 HB3 HIS 4 - HA GLU 44 far 0 32 0 - 9.6-64.1 Violated in 0 structures by 0.00 A. Peak 3866 from cnoeabs.peaks (4.03, 1.61, 41.93 ppm; 4.73 A): 4 out of 12 assignments used, quality = 1.00: * HA LEU 119 + HB2 LEU 122 OK 100 100 100 100 3.1-5.9 3764/1.8=90, 3762/3.5=46...(19) HA LEU 96 + HB2 LEU 122 OK 90 90 100 99 3.0-5.4 3901/3.1=23, 3858/1.8=19...(60) HB3 SER 99 + HB2 LEU 122 OK 83 83 100 100 1.8-5.4 1.8/11374=43, 11473=36...(29) HA LEU 122 + HB2 LEU 122 OK 73 73 100 100 2.4-3.0 3.0=100 HA LYS 95 - HB2 LEU 122 far 0 99 0 - 6.3-9.0 HB3 SER 124 - HB2 LEU 122 far 0 100 0 - 6.4-7.9 HA LEU 103 - HB2 LEU 122 far 0 98 0 - 6.8-9.6 HA SER 60 - HB3 LEU 22 far 0 60 0 - 7.4-30.0 HA SER 50 - HB2 LEU 122 far 0 60 0 - 8.2-11.5 HA ALA 92 - HB2 LEU 122 far 0 78 0 - 8.3-11.3 HA GLU 102 - HB2 LEU 122 far 0 71 0 - 9.0-10.6 HB2 SER 38 - HB3 LEU 22 far 0 66 0 - 9.0-33.5 Violated in 0 structures by 0.00 A. Peak 3867 from cnoeabs.peaks (8.18, 1.61, 41.93 ppm; 5.21 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.0-2.6 3.5=100 H GLN 127 - HB2 LEU 122 far 0 93 0 - 7.0-8.5 H VAL 63 - HB2 LEU 122 far 0 87 0 - 7.4-11.3 H VAL 63 - HB3 LEU 22 far 0 57 0 - 9.9-28.5 Violated in 0 structures by 0.00 A. Peak 3868 from cnoeabs.peaks (4.05, 1.61, 41.93 ppm; 5.41 A): 4 out of 9 assignments used, quality = 1.00: * HA LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 96 + HB2 LEU 122 OK 99 99 100 100 3.0-5.4 3855/3.5=35, 3901/3.1=29...(60) HA LEU 119 + HB2 LEU 122 OK 72 73 100 98 3.1-5.9 3764/1.8=61, 3762/3.5=36...(18) HB3 SER 124 + HB2 LEU 122 OK 27 83 35 92 6.4-7.9 10371=44, 4.5/10363=26...(20) HB THR 65 - HB2 LEU 122 far 0 90 0 - 7.5-13.5 HA ALA 92 - HB2 LEU 122 far 0 100 0 - 8.3-11.3 HA GLU 102 - HB2 LEU 122 far 0 100 0 - 9.0-10.6 HB3 SER 74 - HB2 LEU 122 far 0 85 0 - 9.6-14.6 HB2 SER 74 - HB2 LEU 122 far 0 87 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 3869 from cnoeabs.peaks (1.61, 1.61, 41.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 122 + HB2 LEU 122 OK 100 100 - 100 HB3 LEU 22 + HB3 LEU 22 OK 69 69 - 100 Peak 3870 from cnoeabs.peaks (1.79, 1.61, 41.93 ppm; 3.60 A): 3 out of 13 assignments used, quality = 1.00: * HB3 LEU 122 + HB2 LEU 122 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 100 + HB2 LEU 122 OK 56 63 90 98 2.0-5.3 ~10337=15, ~3243=12...(64) HG LEU 100 + HB2 LEU 122 OK 39 89 45 97 3.5-6.7 3903/3.1=23, 3887/3.0=15...(51) HB3 LEU 103 - HB2 LEU 122 far 15 100 15 - 4.8-6.7 HB3 LYS 24 - HB3 LEU 22 far 5 53 10 - 3.2-8.5 HB3 LEU 123 - HB2 LEU 122 far 2 39 5 - 5.0-7.3 HB3 ARG 23 - HB3 LEU 22 far 0 37 0 - 5.3-7.2 HB3 LYS 19 - HB3 LEU 22 far 0 57 0 - 5.4-10.3 HB3 LEU 98 - HB2 LEU 122 far 0 98 0 - 6.2-9.5 HB3 LYS 26 - HB3 LEU 22 far 0 44 0 - 7.8-13.6 HB3 LYS 31 - HB3 LEU 22 far 0 57 0 - 7.9-20.6 HB2 LYS 36 - HB3 LEU 22 far 0 48 0 - 9.2-33.1 HB3 LEU 98 - HB3 LEU 22 far 0 69 0 - 9.8-37.6 Violated in 0 structures by 0.00 A. Peak 3871 from cnoeabs.peaks (1.60, 1.61, 41.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 122 + HB2 LEU 122 OK 100 100 - 100 HB3 LEU 22 + HB3 LEU 22 OK 65 65 - 100 Reference assignment not found: HG LEU 122 - HB2 LEU 122 Peak 3872 from cnoeabs.peaks (0.81, 1.61, 41.93 ppm; 4.19 A): 3 out of 11 assignments used, quality = 1.00: * QD1 LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 122 + HB2 LEU 122 OK 83 83 100 100 1.9-3.2 3.1=100 QD1 LEU 70 + HB2 LEU 122 OK 73 96 80 95 4.3-8.8 3895/1.8=20, ~3173=14...(47) QD1 LEU 53 - HB2 LEU 122 poor 14 95 35 43 3.5-9.4 3907/4.3=12, 3900/3.5=5...(17) QD1 LEU 103 - HB2 LEU 122 far 11 71 15 - 4.9-8.4 QD2 LEU 119 - HB2 LEU 122 far 10 99 10 - 5.5-7.6 QD2 LEU 49 - HB2 LEU 122 far 5 97 5 - 5.3-8.9 QG1 VAL 63 - HB2 LEU 122 far 0 73 0 - 6.1-9.6 QG2 ILE 129 - HB2 LEU 122 far 0 92 0 - 9.2-11.3 QG1 VAL 63 - HB3 LEU 22 far 0 46 0 - 9.3-24.5 QD1 ILE 37 - HB2 LEU 122 far 0 63 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 3873 from cnoeabs.peaks (0.79, 1.61, 41.93 ppm; 4.48 A): 3 out of 12 assignments used, quality = 1.00: * QD2 LEU 122 + HB2 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 122 + HB2 LEU 122 OK 83 83 100 100 2.1-3.2 3.1=100 QD1 LEU 96 + HB2 LEU 122 OK 27 92 30 97 4.6-7.8 3399/1.8=22, 4.0/3868=16...(50) QD1 LEU 53 - HB2 LEU 122 poor 19 99 35 55 3.5-9.4 3907/4.3=18, 3900/3.5=8...(17) QD2 LEU 119 - HB2 LEU 122 poor 18 93 25 76 5.5-7.6 3790/3763=18...(31) QD1 LEU 103 - HB2 LEU 122 far 15 100 15 - 4.9-8.4 QD2 LEU 49 - HB2 LEU 122 far 5 97 5 - 5.3-8.9 QG1 VAL 63 - HB2 LEU 122 far 0 100 0 - 6.1-9.6 QD1 ILE 32 - HB3 LEU 22 far 0 68 0 - 8.6-17.5 QD1 ILE 32 - HB2 LEU 122 far 0 97 0 - 9.2-14.1 QG1 VAL 63 - HB3 LEU 22 far 0 72 0 - 9.3-24.5 QD1 ILE 37 - HB2 LEU 122 far 0 99 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 3874 from cnoeabs.peaks (8.26, 1.61, 41.93 ppm; 4.60 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 123 + HB2 LEU 122 OK 100 100 100 100 2.7-4.0 4.3=100 H ARG 23 + HB3 LEU 22 OK 63 63 100 100 2.4-4.6 4.6=98, 6197/1.8=87...(19) H LEU 96 - HB2 LEU 122 far 9 92 10 - 5.6-8.0 H GLU 30 - HB3 LEU 22 far 0 72 0 - 7.9-17.7 H ALA 29 - HB3 LEU 22 far 0 66 0 - 8.0-16.1 H SER 33 - HB3 LEU 22 far 0 40 0 - 8.1-25.4 H SER 107 - HB2 LEU 122 far 0 71 0 - 8.9-13.3 H SER 107 - HB3 LEU 22 far 0 44 0 - 9.3-38.7 H LYS 31 - HB3 LEU 22 far 0 42 0 - 9.5-19.1 Violated in 0 structures by 0.00 A. Peak 3875 from cnoeabs.peaks (4.03, 1.79, 41.93 ppm; 4.48 A): 10 out of 29 assignments used, quality = 1.00: HA LEU 103 + HB3 LEU 103 OK 98 98 100 100 2.9-3.0 3.0=100 HA LEU 96 + HB3 LEU 122 OK 90 90 100 99 1.9-5.0 3868/1.8=24, 3901/3.1=22...(60) HA LYS 95 + HB3 LEU 98 OK 84 84 100 100 2.2-4.3 2963=96, 3158/1.8=91...(25) HB3 SER 99 + HB3 LEU 122 OK 78 83 95 100 1.8-7.0 11702/3.1=33...(31) HA LEU 122 + HB3 LEU 122 OK 73 73 100 100 2.2-2.5 3.0=100 HA GLU 102 + HB3 LEU 103 OK 68 70 100 98 5.3-5.9 3.6/7474=51, ~10066=43...(18) HB3 SER 99 + HB3 LEU 103 OK 63 82 90 85 4.7-6.9 3372/1.8=30, ~11481=16...(21) HB3 SER 99 + HB3 LEU 98 OK 47 65 80 90 3.9-6.9 3.7/7378=27, ~11480=26...(15) HA LEU 96 + HB3 LEU 98 OK 44 72 65 94 5.2-7.0 4.9/2963=45, 3.6/9998=20...(25) * HA LEU 119 + HB3 LEU 122 OK 25 100 25 100 4.6-6.8 3764=100, 3762/3.5=41...(16) HA GLU 44 - HB2 LEU 48 poor 20 39 50 - 4.8-7.1 HA LEU 122 - HB3 LEU 98 poor 17 56 30 - 5.6-9.7 HA LYS 95 - HB3 LEU 122 far 10 99 10 - 5.1-9.6 HA LEU 119 - HB3 LEU 103 far 0 100 0 - 6.0-8.6 HA LEU 119 - HB3 LEU 98 far 0 86 0 - 6.6-13.7 HB3 SER 124 - HB3 LEU 122 far 0 100 0 - 7.0-8.0 HA LEU 122 - HB3 LEU 103 far 0 73 0 - 7.1-8.9 HA SER 50 - HB2 LEU 48 far 0 30 0 - 7.2-8.4 HA LEU 103 - HB3 LEU 122 far 0 98 0 - 7.2-11.1 HA ALA 92 - HB3 LEU 122 far 0 78 0 - 7.2-10.2 HA ALA 92 - HB3 LEU 98 far 0 60 0 - 7.3-9.7 HA GLU 102 - HB3 LEU 98 far 0 54 0 - 7.4-8.9 HA LEU 96 - HB3 LEU 103 far 0 90 0 - 7.4-9.3 HA LEU 103 - HB3 LEU 98 far 0 81 0 - 7.8-11.4 HA ILE 37 - HB2 LEU 48 far 0 60 0 - 8.2-14.2 HA SER 60 - HB3 LEU 103 far 0 90 0 - 8.8-10.7 HA GLU 102 - HB3 LEU 122 far 0 71 0 - 9.0-11.4 HB3 SER 124 - HB3 LEU 98 far 0 85 0 - 9.2-13.9 HA SER 50 - HB3 LEU 122 far 0 60 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 3876 from cnoeabs.peaks (8.18, 1.79, 41.93 ppm; 4.34 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.8-3.6 3.5=100 H VAL 63 - HB3 LEU 103 far 0 86 0 - 6.2-8.1 H LEU 122 - HB3 LEU 103 far 0 100 0 - 6.3-8.5 H GLN 127 - HB3 LEU 122 far 0 93 0 - 6.5-7.9 H LEU 122 - HB3 LEU 98 far 0 86 0 - 6.8-10.1 H VAL 63 - HB3 LEU 122 far 0 87 0 - 7.2-11.5 H VAL 63 - HB2 LEU 48 far 0 47 0 - 8.6-14.5 Violated in 0 structures by 0.00 A. Peak 3877 from cnoeabs.peaks (4.05, 1.79, 41.93 ppm; 4.47 A): 5 out of 25 assignments used, quality = 1.00: * HA LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.2-2.5 3.0=100 HA GLU 102 + HB3 LEU 103 OK 98 100 100 98 5.3-5.9 7484/7488=56...(20) HA LEU 96 + HB3 LEU 122 OK 98 99 100 100 1.9-5.0 11689/11678=29...(61) HA LEU 96 + HB3 LEU 98 OK 50 82 65 94 5.2-7.0 4.9/2963=45...(25) HA GLU 44 + HB2 LEU 48 OK 23 61 50 75 4.8-7.1 6575/3.9=53, 4.8/1437=40...(5) HB THR 65 - HB2 LEU 48 poor 20 49 40 - 3.3-9.7 HA LEU 119 - HB3 LEU 122 poor 18 73 25 - 4.6-6.8 HA LEU 122 - HB3 LEU 98 poor 10 86 25 45 5.6-9.7 7372/4.6=12, 7355/7364=8...(12) HA LEU 119 - HB3 LEU 103 far 0 73 0 - 6.0-8.6 HB THR 65 - HB3 LEU 122 far 0 90 0 - 6.3-13.4 HA LEU 119 - HB3 LEU 98 far 0 56 0 - 6.6-13.7 HB3 SER 124 - HB3 LEU 122 far 0 83 0 - 7.0-8.0 HA LEU 122 - HB3 LEU 103 far 0 100 0 - 7.1-8.9 HA ALA 92 - HB3 LEU 122 far 0 100 0 - 7.2-10.2 HA ALA 92 - HB3 LEU 98 far 0 85 0 - 7.3-9.7 HA GLU 102 - HB3 LEU 98 far 0 86 0 - 7.4-8.9 HA LEU 96 - HB3 LEU 103 far 0 98 0 - 7.4-9.3 HA ILE 37 - HB2 LEU 48 far 0 30 0 - 8.2-14.2 HA GLU 102 - HB3 LEU 122 far 0 100 0 - 9.0-11.4 HB2 SER 74 - HB3 LEU 122 far 0 87 0 - 9.0-13.0 HB3 SER 74 - HB3 LEU 122 far 0 85 0 - 9.1-13.0 HB THR 65 - HB3 LEU 103 far 0 90 0 - 9.2-13.5 HB3 SER 124 - HB3 LEU 98 far 0 65 0 - 9.2-13.9 HB2 SER 74 - HB3 LEU 98 far 0 68 0 - 9.2-11.7 HB3 SER 74 - HB3 LEU 98 far 0 67 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 3878 from cnoeabs.peaks (1.61, 1.79, 41.93 ppm; 3.16 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LEU 122 + HB3 LEU 122 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 122 - HB3 LEU 103 far 5 100 5 - 4.6-7.9 HB2 LEU 122 - HB3 LEU 103 far 0 100 0 - 4.8-6.7 HG LEU 70 - HB3 LEU 122 far 0 100 0 - 4.9-7.1 HG LEU 119 - HB3 LEU 103 far 0 94 0 - 5.8-10.5 HB2 LEU 122 - HB3 LEU 98 far 0 86 0 - 6.2-9.5 HG LEU 122 - HB3 LEU 98 far 0 85 0 - 6.8-12.2 HG LEU 70 - HB3 LEU 103 far 0 100 0 - 7.2-10.3 HG LEU 119 - HB3 LEU 122 far 0 95 0 - 7.2-9.8 HG3 ARG 23 - HB3 LEU 98 far 0 70 0 - 7.5-37.9 HG LEU 70 - HB3 LEU 98 far 0 85 0 - 7.9-10.1 HG LEU 119 - HB3 LEU 98 far 0 77 0 - 8.8-15.8 HG3 ARG 23 - HB2 LEU 48 far 0 48 0 - 8.9-30.4 HG LEU 22 - HB2 LEU 48 far 0 58 0 - 8.9-31.1 HB3 LEU 22 - HB3 LEU 98 far 0 82 0 - 9.8-37.6 Violated in 0 structures by 0.00 A. Peak 3879 from cnoeabs.peaks (1.79, 1.79, 41.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 122 + HB3 LEU 122 OK 100 100 - 100 HB3 LEU 103 + HB3 LEU 103 OK 100 100 - 100 HB3 LEU 98 + HB3 LEU 98 OK 81 81 - 100 HB2 LEU 48 + HB2 LEU 48 OK 53 53 - 100 Peak 3880 from cnoeabs.peaks (1.60, 1.79, 41.93 ppm; 3.90 A): 5 out of 21 assignments used, quality = 1.00: * HG LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 122 + HB3 LEU 122 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 103 + HB3 LEU 103 OK 65 65 100 100 1.8-1.8 1.8=100 HG LEU 122 + HB3 LEU 103 OK 26 100 50 52 4.6-7.9 2.1/3903=7, 3887=6...(22) HB2 LEU 122 + HB3 LEU 103 OK 24 100 45 53 4.8-6.7 ~3386=6, 3.5/3876=6...(22) HG LEU 70 - HB3 LEU 122 far 15 99 15 - 4.9-7.1 HB2 LEU 103 - HB3 LEU 122 far 7 65 10 - 5.2-9.7 HG LEU 119 - HB3 LEU 103 far 0 88 0 - 5.8-10.5 HB2 LEU 122 - HB3 LEU 98 far 0 85 0 - 6.2-9.5 HG LEU 122 - HB3 LEU 98 far 0 86 0 - 6.8-12.2 HG LEU 70 - HB3 LEU 103 far 0 99 0 - 7.2-10.3 HG LEU 119 - HB3 LEU 122 far 0 89 0 - 7.2-9.8 HG3 ARG 23 - HB3 LEU 98 far 0 63 0 - 7.5-37.9 HB2 LEU 103 - HB3 LEU 98 far 0 50 0 - 7.5-10.7 HG LEU 70 - HB3 LEU 98 far 0 83 0 - 7.9-10.1 HG2 ARG 23 - HB2 LEU 48 far 0 30 0 - 7.9-30.1 HG2 ARG 23 - HB3 LEU 98 far 0 45 0 - 8.2-37.3 HG LEU 119 - HB3 LEU 98 far 0 70 0 - 8.8-15.8 HG3 ARG 23 - HB2 LEU 48 far 0 42 0 - 8.9-30.4 HG LEU 22 - HB2 LEU 48 far 0 54 0 - 8.9-31.1 HB3 LEU 22 - HB3 LEU 98 far 0 78 0 - 9.8-37.6 Violated in 0 structures by 0.00 A. Peak 3881 from cnoeabs.peaks (0.81, 1.79, 41.93 ppm; 4.10 A): 8 out of 34 assignments used, quality = 1.00: * QD1 LEU 122 + HB3 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 QD2 LEU 122 + HB3 LEU 122 OK 83 83 100 100 2.2-3.2 3.1=100 QD1 LEU 70 + HB3 LEU 122 OK 79 96 85 97 3.1-7.6 3895=23, 3872/1.8=20...(56) QD1 LEU 103 + HB3 LEU 103 OK 70 70 100 100 2.0-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 61 73 85 99 3.7-5.7 10965/3.0=31, ~11509=28...(39) QD1 LEU 122 + HB3 LEU 103 OK 36 100 60 60 4.6-6.5 2.1/3903=7, 2.1/3880=6...(24) QD2 LEU 49 + HB2 LEU 48 OK 33 56 60 98 4.1-6.7 5.0/6598=34, ~9205=27...(40) QD2 LEU 122 + HB3 LEU 103 OK 20 82 40 62 3.4-6.8 3903=6, 2.1/3880=6...(26) QD1 LEU 53 - HB3 LEU 122 poor 19 95 20 - 4.5-9.1 QD1 LEU 70 - HB3 LEU 103 poor 11 95 35 32 5.0-9.1 9487/3269=13...(10) QD2 LEU 49 - HB3 LEU 122 far 10 97 10 - 4.1-8.1 QD1 LEU 103 - HB3 LEU 122 far 0 71 0 - 5.9-9.6 QD2 LEU 119 - HB3 LEU 103 far 0 99 0 - 5.9-8.2 QD1 LEU 70 - HB3 LEU 98 far 0 78 0 - 6.0-8.7 QD2 LEU 122 - HB3 LEU 98 far 0 65 0 - 6.1-10.2 QG1 VAL 63 - HB3 LEU 122 far 0 73 0 - 6.1-9.4 QD1 LEU 53 - HB3 LEU 103 far 0 94 0 - 6.3-13.4 QD1 ILE 37 - HB2 LEU 48 far 0 31 0 - 6.4-14.1 QD1 LEU 122 - HB3 LEU 98 far 0 86 0 - 6.5-10.3 QD1 LEU 53 - HB2 LEU 48 far 0 53 0 - 6.7-10.6 QD2 LEU 119 - HB3 LEU 122 far 0 99 0 - 6.8-8.6 QD2 LEU 119 - HB3 LEU 98 far 0 84 0 - 7.0-14.1 QD2 LEU 122 - HB2 LEU 48 far 0 44 0 - 7.9-12.7 QG2 ILE 129 - HB3 LEU 122 far 0 92 0 - 8.1-10.4 QD2 LEU 49 - HB3 LEU 103 far 0 97 0 - 8.1-11.5 QD1 LEU 70 - HB2 LEU 48 far 0 54 0 - 8.1-15.4 QD1 LEU 122 - HB2 LEU 48 far 0 61 0 - 8.5-12.4 QD1 LEU 103 - HB3 LEU 98 far 0 54 0 - 8.5-11.1 QD1 ILE 37 - HB3 LEU 122 far 0 63 0 - 8.7-15.3 QD2 LEU 119 - HB2 LEU 48 far 0 59 0 - 8.9-19.0 QG1 VAL 63 - HB2 LEU 48 far 0 37 0 - 9.2-14.0 QG1 VAL 133 - HB2 LEU 48 far 0 28 0 - 9.7-14.5 QG2 ILE 129 - HB2 LEU 48 far 0 51 0 - 9.7-13.9 QD1 LEU 53 - HB3 LEU 98 far 0 77 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3882 from cnoeabs.peaks (0.79, 1.79, 41.93 ppm; 3.94 A): 7 out of 34 assignments used, quality = 1.00: * QD2 LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.2-3.2 3.1=100 QD1 LEU 103 + HB3 LEU 103 OK 99 99 100 100 2.0-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 84 100 85 100 3.7-5.7 10965/3.0=45, 10963=37...(39) QD1 LEU 122 + HB3 LEU 122 OK 83 83 100 100 1.9-3.2 3.1=100 QD1 LEU 96 + HB3 LEU 122 OK 61 92 70 95 3.6-6.6 3399=23, 10382/11653=17...(55) QD2 LEU 49 + HB2 LEU 48 OK 33 56 60 97 4.1-6.7 5.0/6598=31, ~9205=25...(40) QD2 LEU 122 + HB3 LEU 103 OK 23 100 35 65 3.4-6.8 3903=9, 11492/3269=7...(25) QD1 LEU 122 - HB3 LEU 103 poor 19 82 40 56 4.6-6.5 2.1/3903=7, 2.1/3880=6...(24) QD1 LEU 53 - HB3 LEU 122 far 15 99 15 - 4.5-9.1 QD1 ILE 32 - HB2 LEU 48 poor 14 56 25 - 4.2-14.9 QD2 LEU 49 - HB3 LEU 122 far 10 97 10 - 4.1-8.1 QD1 LEU 96 - HB3 LEU 98 far 0 74 0 - 5.6-8.2 QD1 LEU 96 - HB3 LEU 103 far 0 91 0 - 5.8-10.1 QD1 LEU 103 - HB3 LEU 122 far 0 100 0 - 5.9-9.6 QD2 LEU 119 - HB3 LEU 103 far 0 93 0 - 5.9-8.2 QD2 LEU 122 - HB3 LEU 98 far 0 86 0 - 6.1-10.2 QG1 VAL 63 - HB3 LEU 122 far 0 100 0 - 6.1-9.4 QD1 LEU 53 - HB3 LEU 103 far 0 99 0 - 6.3-13.4 QD1 ILE 37 - HB2 LEU 48 far 0 58 0 - 6.4-14.1 QD1 LEU 122 - HB3 LEU 98 far 0 65 0 - 6.5-10.3 QD1 LEU 53 - HB2 LEU 48 far 0 58 0 - 6.7-10.6 QD2 LEU 119 - HB3 LEU 122 far 0 93 0 - 6.8-8.6 QD2 LEU 119 - HB3 LEU 98 far 0 75 0 - 7.0-14.1 QD2 LEU 122 - HB2 LEU 48 far 0 61 0 - 7.9-12.7 QD2 LEU 49 - HB3 LEU 103 far 0 97 0 - 8.1-11.5 QD1 ILE 32 - HB3 LEU 103 far 0 97 0 - 8.4-15.4 QD1 LEU 122 - HB2 LEU 48 far 0 44 0 - 8.5-12.4 QD1 LEU 103 - HB3 LEU 98 far 0 84 0 - 8.5-11.1 QD1 ILE 32 - HB3 LEU 122 far 0 97 0 - 8.6-13.6 QD1 ILE 37 - HB3 LEU 122 far 0 99 0 - 8.7-15.3 QD2 LEU 119 - HB2 LEU 48 far 0 52 0 - 8.9-19.0 QG1 VAL 63 - HB2 LEU 48 far 0 60 0 - 9.2-14.0 QD1 LEU 96 - HB2 LEU 48 far 0 51 0 - 9.7-14.0 QD1 LEU 53 - HB3 LEU 98 far 0 83 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3883 from cnoeabs.peaks (8.26, 1.79, 41.93 ppm; 4.60 A): 3 out of 18 assignments used, quality = 1.00: * H LEU 123 + HB3 LEU 122 OK 100 100 100 100 3.7-4.2 4.3=100 H LEU 96 + HB3 LEU 98 OK 61 74 90 93 5.0-6.3 3.6/2963=65...(15) H LEU 96 + HB3 LEU 122 OK 45 92 50 98 4.4-7.1 2.9/3858=20, 3862/3.0=18...(43) H ALA 29 - HB2 LEU 48 poor 17 55 30 - 3.3-20.5 H SER 107 - HB3 LEU 103 poor 9 70 30 43 5.3-8.8 4.6/3387=12, 10103/3.2=9...(10) H GLU 30 - HB2 LEU 48 far 3 60 5 - 6.1-21.8 H ARG 23 - HB3 LEU 98 far 0 75 0 - 6.7-37.3 H SER 107 - HB3 LEU 98 far 0 54 0 - 6.9-15.3 H LEU 123 - HB3 LEU 103 far 0 100 0 - 7.7-9.0 H LYS 31 - HB2 LEU 48 far 0 34 0 - 7.9-22.2 H ARG 23 - HB2 LEU 48 far 0 52 0 - 8.5-27.4 H LEU 43 - HB2 LEU 48 far 0 31 0 - 8.7-11.2 H SER 107 - HB3 LEU 122 far 0 71 0 - 8.8-13.2 H LEU 123 - HB3 LEU 98 far 0 86 0 - 8.8-12.5 H ALA 29 - HB3 LEU 98 far 0 79 0 - 9.2-24.5 H SER 33 - HB2 LEU 48 far 0 33 0 - 9.3-18.5 H ALA 29 - HB3 LEU 103 far 0 96 0 - 9.3-20.4 H LEU 96 - HB3 LEU 103 far 0 91 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3884 from cnoeabs.peaks (8.18, 1.60, 27.00 ppm; 5.41 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 122 + HG LEU 122 OK 100 100 100 100 2.4-4.6 4.6=100 H LEU 122 + HG LEU 119 OK 53 70 80 95 6.2-7.7 3762/3.7=57, ~11552=44...(17) H GLN 127 + HG LEU 122 OK 20 93 25 87 5.3-8.4 3.5/10405=37...(12) H VAL 63 - HG LEU 122 poor 12 87 25 55 5.7-10.3 4.0/10972=21, ~2016=10...(10) H VAL 63 - HG LEU 119 poor 8 54 50 31 5.2-12.3 6813/2.1=13, 3762/3.7=10...(5) H LEU 122 - HG LEU 70 far 0 97 0 - 7.7-10.2 H GLN 127 - HG LEU 70 far 0 88 0 - 7.8-11.7 H VAL 63 - HG LEU 70 far 0 81 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 3885 from cnoeabs.peaks (4.05, 1.60, 27.00 ppm; 4.69 A): 5 out of 20 assignments used, quality = 1.00: * HA LEU 122 + HG LEU 122 OK 100 100 100 100 3.5-4.2 4.3=100 HA LEU 96 + HG LEU 122 OK 96 99 100 98 3.4-6.1 3901/2.1=29, 3855/4.6=23...(39) HA LEU 119 + HG LEU 122 OK 70 73 100 95 3.4-6.2 3764/3.0=46, 3762/4.6=23...(19) HA LEU 119 + HG LEU 119 OK 44 44 100 100 2.4-4.1 3.7=100 HA LEU 96 + HG LEU 70 OK 42 94 45 99 5.2-7.3 ~11916=30, ~9496=30...(32) HB3 SER 74 - HG LEU 70 poor 17 79 40 53 4.1-8.0 ~9842=37, 2282/11117=11...(7) HB2 SER 74 - HG LEU 70 poor 16 81 40 49 4.1-9.2 ~9842=37, 2282/11117=11...(6) HA LEU 122 - HG LEU 70 far 10 97 10 - 5.9-8.2 HB THR 65 - HG LEU 122 far 9 90 10 - 5.6-11.3 HB3 SER 124 - HG LEU 122 far 0 83 0 - 6.3-8.7 HB THR 65 - HG LEU 70 far 0 85 0 - 7.6-12.0 HB THR 65 - HG LEU 119 far 0 57 0 - 8.1-16.4 HA GLU 102 - HG LEU 70 far 0 97 0 - 8.3-11.6 HA ALA 92 - HG LEU 70 far 0 97 0 - 8.5-12.1 HA LEU 122 - HG LEU 119 far 0 70 0 - 8.5-10.2 HA GLU 102 - HG LEU 122 far 0 100 0 - 8.8-12.3 HA ALA 92 - HG LEU 122 far 0 100 0 - 9.1-12.4 HB3 SER 124 - HG LEU 119 far 0 51 0 - 9.1-11.1 HA LEU 119 - HG LEU 70 far 0 68 0 - 9.3-13.1 HA LEU 96 - HG LEU 119 far 0 66 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3886 from cnoeabs.peaks (1.61, 1.60, 27.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG LEU 122 + HG LEU 122 OK 100 100 - 100 HG LEU 70 + HG LEU 70 OK 97 97 - 100 HG LEU 22 + HG LEU 22 OK 69 69 - 100 HG LEU 119 + HG LEU 119 OK 61 61 - 100 Reference assignment not found: HB2 LEU 122 - HG LEU 122 Peak 3887 from cnoeabs.peaks (1.79, 1.60, 27.00 ppm; 3.55 A): 5 out of 28 assignments used, quality = 1.00: * HB3 LEU 122 + HG LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 100 + HG LEU 122 OK 82 89 95 98 2.8-6.2 3903/2.1=29, 3895/2.1=17...(47) HG LEU 100 + HG LEU 70 OK 55 83 70 94 2.7-7.3 ~11115=38, ~9487=32...(25) HB2 LEU 100 + HG LEU 70 OK 50 58 95 92 3.3-6.0 ~11115=26, ~9487=21...(26) HB2 LEU 100 + HG LEU 122 OK 46 63 75 98 1.9-6.2 ~10337=20, ~10337=15...(57) HB3 LEU 103 - HG LEU 122 poor 16 100 35 47 4.6-7.9 3880=6, 3903/2.1=6...(19) HB3 LEU 123 - HG LEU 122 poor 16 39 40 - 4.2-6.9 HB3 LYS 19 - HG LEU 22 poor 14 57 25 - 3.5-10.7 HB3 LEU 122 - HG LEU 70 far 5 97 5 - 4.9-7.1 HB3 LYS 24 - HG LEU 22 far 3 53 5 - 4.9-9.8 HB3 LEU 103 - HG LEU 119 far 0 69 0 - 5.8-10.5 HB3 ARG 23 - HG LEU 22 far 0 37 0 - 6.2-8.2 HB3 LEU 123 - HG LEU 119 far 0 22 0 - 6.4-9.2 HG LEU 100 - HG LEU 119 far 0 55 0 - 6.6-11.3 HB3 LEU 98 - HG LEU 122 far 0 98 0 - 6.8-12.2 HB3 LYS 31 - HG LEU 22 far 0 57 0 - 6.9-22.8 HB3 LEU 103 - HG LEU 70 far 0 97 0 - 7.2-10.3 HB3 LEU 122 - HG LEU 119 far 0 70 0 - 7.2-9.8 HB3 LEU 98 - HG LEU 70 far 0 94 0 - 7.9-10.1 HB3 LYS 26 - HG LEU 22 far 0 44 0 - 7.9-15.3 HB2 LEU 100 - HG LEU 119 far 0 36 0 - 8.2-11.9 HB ILE 32 - HG LEU 70 far 0 68 0 - 8.5-13.8 HB3 LEU 98 - HG LEU 119 far 0 65 0 - 8.8-15.8 HB2 LEU 48 - HG LEU 22 far 0 64 0 - 8.9-31.1 HB2 LYS 36 - HG LEU 22 far 0 48 0 - 9.1-33.5 HB3 LEU 123 - HG LEU 70 far 0 36 0 - 9.2-13.5 HB2 LYS 36 - HG LEU 70 far 0 70 0 - 9.9-18.1 HB3 LYS 26 - HG LEU 119 far 0 42 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 3888 from cnoeabs.peaks (1.60, 1.60, 27.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 122 + HG LEU 122 OK 100 100 - 100 HG LEU 70 + HG LEU 70 OK 95 95 - 100 HG LEU 22 + HG LEU 22 OK 65 65 - 100 HG LEU 119 + HG LEU 119 OK 55 55 - 100 Peak 3889 from cnoeabs.peaks (0.81, 1.60, 27.00 ppm; 2.91 A): 6 out of 30 assignments used, quality = 1.00: * QD1 LEU 122 + HG LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 70 OK 90 90 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 122 OK 83 83 100 100 2.1-2.1 2.1=100 QD2 LEU 119 + HG LEU 119 OK 68 68 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 122 OK 38 96 55 73 2.5-8.1 2.1/2272=16, 2264=14...(29) QD2 LEU 122 + HG LEU 70 OK 29 77 50 75 3.2-8.5 2273/2.1=12, 3902=8...(37) QD1 LEU 122 - HG LEU 70 far 15 97 15 - 3.4-8.1 QD1 LEU 53 - HG LEU 119 poor 12 61 20 - 3.3-9.7 QD2 LEU 49 - HG LEU 122 far 10 97 10 - 3.9-7.2 QD1 LEU 122 - HG LEU 119 poor 9 70 30 43 3.9-9.0 11702/3.7=13, 3770/2.9=8...(12) QD2 LEU 122 - HG LEU 119 far 8 51 15 - 3.6-8.2 QD1 LEU 53 - HG LEU 122 lone 6 95 30 20 2.0-9.1 ~1667=2, ~1667=2, 3904=2...(12) QD1 LEU 103 - HG LEU 119 far 4 42 10 - 3.2-7.5 QD2 LEU 49 - HG LEU 70 far 0 93 0 - 4.7-9.7 QG1 VAL 63 - HG LEU 122 far 0 73 0 - 4.8-9.3 QD1 LEU 103 - HG LEU 122 far 0 71 0 - 4.8-8.8 QD2 LEU 119 - HG LEU 122 far 0 99 0 - 5.1-7.5 QG1 VAL 63 - HG LEU 70 far 0 68 0 - 5.4-8.6 QG1 VAL 63 - HG LEU 119 far 0 44 0 - 6.0-12.2 QD1 ILE 37 - HG LEU 70 far 0 58 0 - 6.2-11.0 QD1 LEU 53 - HG LEU 70 far 0 89 0 - 6.5-13.5 QD1 LEU 103 - HG LEU 70 far 0 65 0 - 6.5-11.5 QG2 ILE 129 - HG LEU 70 far 0 86 0 - 6.6-8.9 QD2 LEU 49 - HG LEU 119 far 0 64 0 - 7.7-11.8 QD1 LEU 70 - HG LEU 119 far 0 62 0 - 8.4-12.7 QD2 LEU 119 - HG LEU 70 far 0 96 0 - 9.0-13.3 QG2 ILE 129 - HG LEU 122 far 0 92 0 - 9.3-10.9 QG1 VAL 133 - HG LEU 70 far 0 52 0 - 9.6-11.6 QD1 ILE 37 - HG LEU 122 far 0 63 0 - 9.6-15.5 QG2 ILE 80 - HG LEU 70 far 0 95 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 3890 from cnoeabs.peaks (0.79, 1.60, 27.00 ppm; 3.71 A): 6 out of 31 assignments used, quality = 1.00: * QD2 LEU 122 + HG LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 122 + HG LEU 122 OK 83 83 100 100 2.1-2.1 2.1=100 QD1 LEU 96 + HG LEU 70 OK 79 86 100 92 1.6-4.6 ~11917=21, ~11916=17...(22) QD2 LEU 119 + HG LEU 119 OK 60 60 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 70 OK 58 97 65 93 3.2-8.5 3902=21, ~2272=14...(45) QD1 LEU 122 + HG LEU 70 OK 20 77 30 87 3.4-8.1 2.1/3902=15, ~2272=14...(34) QD1 LEU 96 - HG LEU 122 poor 18 92 20 - 3.2-6.9 QD2 LEU 122 - HG LEU 119 poor 17 70 25 - 3.6-8.2 QD1 LEU 103 - HG LEU 119 poor 17 68 45 54 3.2-7.5 11426/4.6=23...(9) QD1 LEU 53 - HG LEU 122 poor 16 99 45 37 2.0-9.1 3904=5, 3900/4.6=4...(15) QD1 LEU 122 - HG LEU 119 poor 16 51 50 62 3.9-9.0 11702/3.7=17...(18) QD2 LEU 49 - HG LEU 70 far 14 93 15 - 4.7-9.7 QD1 LEU 53 - HG LEU 119 poor 13 67 20 - 3.3-9.7 QG1 VAL 63 - HG LEU 122 far 10 100 10 - 4.8-9.3 QD2 LEU 49 - HG LEU 122 poor 8 97 30 26 3.9-7.2 11681/11677=5, ~1561=4...(11) QD1 LEU 103 - HG LEU 122 far 5 100 5 - 4.8-8.8 QD2 LEU 119 - HG LEU 122 far 5 93 5 - 5.1-7.5 QG1 VAL 63 - HG LEU 70 far 0 96 0 - 5.4-8.6 QG1 VAL 63 - HG LEU 119 far 0 69 0 - 6.0-12.2 QD1 ILE 37 - HG LEU 70 far 0 94 0 - 6.2-11.0 QD1 ILE 32 - HG LEU 70 far 0 93 0 - 6.2-11.2 QD1 LEU 53 - HG LEU 70 far 0 95 0 - 6.5-13.5 QD1 LEU 103 - HG LEU 70 far 0 96 0 - 6.5-11.5 QD2 LEU 49 - HG LEU 119 far 0 64 0 - 7.7-11.8 QD1 ILE 32 - HG LEU 122 far 0 97 0 - 8.3-12.5 QD1 ILE 32 - HG LEU 22 far 0 68 0 - 8.6-18.9 QD2 LEU 119 - HG LEU 70 far 0 88 0 - 9.0-13.3 QD1 ILE 37 - HG LEU 122 far 0 99 0 - 9.6-15.5 QD1 LEU 96 - HG LEU 119 far 0 58 0 - 9.8-12.7 QG2 ILE 80 - HG LEU 70 far 0 60 0 - 9.8-16.0 QD1 ILE 32 - HG LEU 119 far 0 64 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 3891 from cnoeabs.peaks (8.26, 1.60, 27.00 ppm; 5.52 A): 4 out of 16 assignments used, quality = 1.00: * H LEU 123 + HG LEU 122 OK 100 100 100 100 1.8-4.5 3899/2.1=70, 3907/2.1=52...(34) H ARG 23 + HG LEU 22 OK 63 63 100 100 2.9-4.5 6197/3.0=86, 6200/2.1=83...(23) H LEU 123 + HG LEU 119 OK 61 70 90 97 5.9-7.6 11552/2.9=82...(15) H LEU 96 + HG LEU 70 OK 38 86 45 97 5.4-8.3 11083/2.1=57...(18) H LEU 96 - HG LEU 122 far 14 92 15 - 6.1-8.6 H ALA 29 - HG LEU 70 far 5 92 5 - 6.7-18.7 H SER 107 - HG LEU 119 far 0 42 0 - 7.8-14.5 H SER 107 - HG LEU 70 far 0 65 0 - 7.8-13.1 H LEU 123 - HG LEU 70 far 0 97 0 - 8.1-10.8 H ALA 29 - HG LEU 22 far 0 67 0 - 8.2-17.7 H GLU 30 - HG LEU 22 far 0 72 0 - 8.4-19.6 H SER 107 - HG LEU 122 far 0 71 0 - 8.6-13.8 H LYS 31 - HG LEU 22 far 0 42 0 - 8.7-21.1 H GLU 30 - HG LEU 70 far 0 97 0 - 9.2-18.6 H SER 107 - HG LEU 22 far 0 44 0 - 9.2-41.4 H SER 33 - HG LEU 70 far 0 60 0 - 9.5-16.5 Violated in 0 structures by 0.00 A. Peak 3892 from cnoeabs.peaks (8.18, 0.81, 25.23 ppm; 4.58 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.9-4.4 4.3=100 H GLN 127 + QD1 LEU 122 OK 59 93 80 80 4.3-7.1 4.3/11676=22...(15) H VAL 63 - QD1 LEU 122 poor 17 87 45 44 3.7-8.5 ~2016=8, ~2016=7...(11) H GLN 127 - QD1 LEU 70 far 8 52 15 - 5.1-10.0 H LEU 122 - QD1 LEU 70 far 3 61 5 - 5.6-10.1 H VAL 63 - QD1 LEU 70 far 0 47 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 3893 from cnoeabs.peaks (4.05, 0.81, 25.23 ppm; 3.60 A): 4 out of 20 assignments used, quality = 1.00: * HA LEU 122 + QD1 LEU 122 OK 98 100 100 98 2.7-4.1 3.8=82, 3.6/3899=28...(25) HA LEU 119 + QD1 LEU 122 OK 54 73 85 87 2.0-5.7 3764/3.1=27, 3759=17...(23) HA LEU 96 + QD1 LEU 122 OK 53 99 60 90 2.1-5.9 11689/11681=14...(39) HA LEU 96 + QD1 LEU 70 OK 46 58 85 93 3.7-7.0 5.0/10000=19, 3860=18...(34) HA LEU 122 - QD1 LEU 70 poor 17 61 45 62 3.9-8.4 3.0/3872=12, 3.0/3881=10...(23) HB THR 65 - QD1 LEU 122 far 9 90 10 - 3.3-9.2 HB2 SER 74 - QD1 LEU 70 far 7 47 15 - 2.0-7.3 HB3 SER 74 - QD1 LEU 70 far 7 46 15 - 2.8-7.1 HB3 SER 124 - QD1 LEU 122 far 0 83 0 - 5.2-7.7 HA GLU 102 - QD1 LEU 70 far 0 61 0 - 6.5-9.8 HA LEU 119 - QD1 LEU 70 far 0 38 0 - 6.6-10.9 HB THR 65 - QD1 LEU 70 far 0 50 0 - 6.7-9.7 HA ALA 92 - QD1 LEU 122 far 0 100 0 - 6.9-10.8 HA ALA 92 - QD1 LEU 70 far 0 61 0 - 7.2-9.8 HB3 SER 74 - QD1 LEU 122 far 0 85 0 - 7.4-12.9 HB3 SER 124 - QD1 LEU 70 far 0 44 0 - 7.4-13.1 HB2 SER 74 - QD1 LEU 122 far 0 87 0 - 8.1-12.5 HA ILE 37 - QD1 LEU 70 far 0 30 0 - 8.6-14.5 HA GLU 102 - QD1 LEU 122 far 0 100 0 - 8.7-10.3 HA ILE 37 - QD1 LEU 122 far 0 60 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 3894 from cnoeabs.peaks (1.61, 0.81, 25.23 ppm; 3.58 A): 7 out of 8 assignments used, quality = 1.00: * HB2 LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 70 + QD1 LEU 70 OK 61 61 100 100 2.1-2.1 2.1=100 HG LEU 122 + QD1 LEU 70 OK 39 61 75 85 2.5-8.1 2272/2.1=24, 3.0/3872=12...(33) HG LEU 119 + QD1 LEU 122 OK 30 95 50 63 3.9-9.0 3.7/11702=21...(19) HB2 LEU 122 + QD1 LEU 70 OK 26 61 50 84 4.3-8.8 3872=17, 1.8/3881=13...(36) HG LEU 70 + QD1 LEU 122 OK 22 100 25 88 3.4-8.1 2.1/2273=16, ~2272=13...(40) HG LEU 119 - QD1 LEU 70 far 0 54 0 - 8.4-12.7 Violated in 0 structures by 0.00 A. Peak 3895 from cnoeabs.peaks (1.79, 0.81, 25.23 ppm; 3.18 A): 6 out of 18 assignments used, quality = 1.00: * HB3 LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 100 + QD1 LEU 122 OK 75 89 90 94 1.8-5.6 2.1/9487=21, 3887/2.1=14...(42) HB3 LEU 122 + QD1 LEU 70 OK 41 61 85 79 3.1-7.6 3173/2.1=12, 3881=12...(39) HG LEU 100 + QD1 LEU 70 OK 37 49 85 91 2.0-5.5 ~11115=30, ~11107=24...(32) HB2 LEU 100 + QD1 LEU 122 OK 36 63 60 95 2.4-5.5 ~10337=16, 3.2/9487=16...(55) HB2 LEU 100 + QD1 LEU 70 OK 26 32 95 88 1.7-5.7 ~11115=20, 3.2/9487=18...(31) HB3 LEU 123 - QD1 LEU 122 poor 19 39 70 69 1.9-5.6 3.9/3899=20, 3.0/2261=12...(20) HB3 LEU 103 - QD1 LEU 122 far 5 100 5 - 4.6-6.5 HB3 LEU 103 - QD1 LEU 70 far 0 61 0 - 5.0-9.1 HB3 LEU 98 - QD1 LEU 70 far 0 58 0 - 6.0-8.7 HB ILE 32 - QD1 LEU 70 far 0 38 0 - 6.4-12.9 HB3 LEU 98 - QD1 LEU 122 far 0 98 0 - 6.5-10.3 HB2 LEU 48 - QD1 LEU 70 far 0 54 0 - 8.1-15.4 HB2 LEU 48 - QD1 LEU 122 far 0 95 0 - 8.5-12.4 HB ILE 32 - QD1 LEU 122 far 0 73 0 - 8.9-15.4 HB3 LYS 26 - QD1 LEU 122 far 0 71 0 - 9.0-18.7 HB3 LYS 31 - QD1 LEU 70 far 0 47 0 - 9.2-18.0 HB3 LYS 24 - QD1 LEU 70 far 0 44 0 - 9.6-22.2 Violated in 0 structures by 0.00 A. Peak 3896 from cnoeabs.peaks (1.60, 0.81, 25.23 ppm; 3.03 A): 4 out of 10 assignments used, quality = 1.00: * HG LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 122 + QD1 LEU 122 OK 97 100 100 97 2.1-3.2 3.1=89, 4.3/3899=16...(26) HG LEU 70 + QD1 LEU 70 OK 59 59 100 100 2.1-2.1 2.1=100 HG LEU 122 + QD1 LEU 70 OK 28 61 65 71 2.5-8.1 2272/2.1=17, 3889=10...(29) HG LEU 70 - QD1 LEU 122 poor 20 99 20 - 3.4-8.1 HG LEU 119 - QD1 LEU 122 poor 14 89 35 46 3.9-9.0 3.7/11702=14, 2.9/3770=9...(12) HB2 LEU 122 - QD1 LEU 70 far 9 61 15 - 4.3-8.8 HB2 LEU 103 - QD1 LEU 122 far 3 65 5 - 4.3-7.7 HB2 LEU 103 - QD1 LEU 70 far 0 33 0 - 6.1-10.4 HG LEU 119 - QD1 LEU 70 far 0 49 0 - 8.4-12.7 Violated in 0 structures by 0.00 A. Peak 3897 from cnoeabs.peaks (0.81, 0.81, 25.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 122 + QD1 LEU 122 OK 100 100 - 100 QD1 LEU 70 + QD1 LEU 70 OK 55 55 - 100 Peak 3898 from cnoeabs.peaks (0.79, 0.81, 25.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QD1 LEU 122 + QD1 LEU 122 OK 83 83 - 100 Reference assignment not found: QD2 LEU 122 - QD1 LEU 122 Peak 3899 from cnoeabs.peaks (8.26, 0.81, 25.23 ppm; 4.25 A): 2 out of 14 assignments used, quality = 0.99: * H LEU 123 + QD1 LEU 122 OK 99 100 100 99 1.5-3.8 7744/3.1=32, 3.3/7732=31...(41) H LEU 96 + QD1 LEU 70 OK 38 51 85 87 4.2-7.2 11083/2.1=44, ~11084=14...(26) H LEU 96 - QD1 LEU 122 far 14 92 15 - 4.3-8.0 H LEU 123 - QD1 LEU 70 far 6 61 10 - 5.1-10.2 H ALA 29 - QD1 LEU 70 far 3 56 5 - 4.8-16.7 H SER 107 - QD1 LEU 70 far 0 36 0 - 5.9-11.3 H GLU 30 - QD1 LEU 70 far 0 61 0 - 6.4-16.7 H LYS 31 - QD1 LEU 70 far 0 35 0 - 7.0-16.9 H SER 33 - QD1 LEU 70 far 0 33 0 - 7.8-14.3 H SER 107 - QD1 LEU 122 far 0 71 0 - 8.0-11.4 H ASP 131 - QD1 LEU 70 far 0 56 0 - 8.8-13.1 H ALA 29 - QD1 LEU 122 far 0 97 0 - 8.9-15.5 H ASP 131 - QD1 LEU 122 far 0 97 0 - 9.1-12.1 H LEU 43 - QD1 LEU 70 far 0 32 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 3900 from cnoeabs.peaks (8.18, 0.79, 26.05 ppm; 4.55 A): 4 out of 6 assignments used, quality = 1.00: * H LEU 122 + QD2 LEU 122 OK 100 100 100 100 1.7-4.2 5.1=72, 7732/2.1=43...(45) H GLN 127 + QD2 LEU 122 OK 47 93 65 77 4.0-7.9 3.5/10399=16...(15) H LEU 122 + QD1 LEU 53 OK 31 93 45 74 4.7-8.3 3.3/3907=24, ~11818=23...(19) H GLN 127 + QD1 LEU 53 OK 21 83 90 28 4.3-6.4 7759/11585=5...(8) H VAL 63 - QD2 LEU 122 poor 16 87 40 46 4.1-8.5 2.9/2016=12, 4.5/9395=10...(14) H VAL 63 - QD1 LEU 53 poor 15 76 20 - 5.4-11.3 Violated in 0 structures by 0.00 A. Peak 3901 from cnoeabs.peaks (4.05, 0.79, 26.05 ppm; 3.65 A): 4 out of 15 assignments used, quality = 1.00: * HA LEU 122 + QD2 LEU 122 OK 98 100 100 98 2.1-4.1 3.9=79, 3.6/3907=24...(33) HA LEU 96 + QD2 LEU 122 OK 81 99 90 92 1.9-5.7 3861=20, 3.0/10337=17...(40) HA LEU 119 + QD2 LEU 122 OK 40 73 65 84 1.9-6.0 3764/3.1=28, 3759/2.1=13...(21) HA LEU 119 + QD1 LEU 53 OK 29 63 55 83 1.8-8.1 11845/2.1=26...(26) HB THR 65 - QD1 LEU 53 poor 16 80 20 - 2.2-11.0 HB3 SER 124 - QD1 LEU 53 poor 12 72 45 37 2.4-8.4 10373=12, 4.0/11585=8...(9) HA LEU 122 - QD1 LEU 53 far 5 93 5 - 5.0-8.5 HB THR 65 - QD2 LEU 122 far 5 90 5 - 4.7-8.8 HB3 SER 124 - QD2 LEU 122 far 0 83 0 - 5.7-7.5 HA LEU 96 - QD1 LEU 53 far 0 90 0 - 5.7-10.4 HA ALA 92 - QD2 LEU 122 far 0 100 0 - 6.2-10.0 HB3 SER 74 - QD2 LEU 122 far 0 85 0 - 7.6-11.7 HA GLU 102 - QD2 LEU 122 far 0 100 0 - 7.7-10.3 HB2 SER 74 - QD2 LEU 122 far 0 87 0 - 8.0-12.8 HA ALA 92 - QD1 LEU 53 far 0 93 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 3902 from cnoeabs.peaks (1.61, 0.79, 26.05 ppm; 3.51 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 122 + QD2 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 70 + QD2 LEU 122 OK 54 100 60 90 3.2-8.5 ~2272=12, ~2272=11...(50) HB2 LEU 122 - QD1 LEU 53 poor 19 93 20 - 3.5-9.4 HG LEU 119 - QD1 LEU 53 poor 17 85 20 - 3.3-9.7 HG LEU 119 - QD2 LEU 122 poor 12 95 25 52 3.6-8.2 3.7/3759=10, ~3770=7...(18) HG LEU 122 - QD1 LEU 53 poor 12 93 40 33 2.0-9.1 4.6/3900=4, 7745/3907=4...(14) HG LEU 70 - QD1 LEU 53 far 0 93 0 - 6.5-13.5 Violated in 0 structures by 0.00 A. Peak 3903 from cnoeabs.peaks (1.79, 0.79, 26.05 ppm; 3.40 A): 4 out of 20 assignments used, quality = 1.00: * HB3 LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.2-3.2 3.1=100 HG LEU 100 + QD2 LEU 122 OK 82 89 95 97 2.0-5.3 2.1/11492=29...(49) HB2 LEU 100 + QD2 LEU 122 OK 59 63 95 98 2.5-5.5 1.8/10337=31...(61) HB3 LEU 123 + QD1 LEU 53 OK 20 33 90 69 1.8-5.1 ~9254=24, 1.8/11571=15...(15) HB3 LEU 123 - QD2 LEU 122 poor 18 39 45 - 3.1-5.8 HB3 LEU 103 - QD2 LEU 122 poor 17 100 30 56 3.4-6.8 3269/11492=5, 3880/2.1=4...(26) HB3 LEU 122 - QD1 LEU 53 far 9 93 10 - 4.5-9.1 HG LEU 100 - QD1 LEU 53 far 8 78 10 - 4.6-11.3 HB2 LEU 100 - QD1 LEU 53 far 0 54 0 - 5.6-12.0 HB3 LEU 98 - QD2 LEU 122 far 0 98 0 - 6.1-10.2 HB3 LEU 103 - QD1 LEU 53 far 0 93 0 - 6.3-13.4 HB2 LEU 48 - QD1 LEU 53 far 0 85 0 - 6.7-10.6 HB2 LEU 48 - QD2 LEU 122 far 0 95 0 - 7.9-12.7 HB3 LYS 24 - QD2 LEU 122 far 0 83 0 - 9.6-20.9 HB ILE 32 - QD2 LEU 122 far 0 73 0 - 9.7-13.2 HB3 ARG 23 - QD1 LEU 53 far 0 51 0 - 9.7-25.9 HB ILE 32 - QD1 LEU 53 far 0 63 0 - 9.8-17.9 HB2 LYS 36 - QD1 LEU 53 far 0 66 0 - 9.8-20.5 HB3 LEU 98 - QD1 LEU 53 far 0 89 0 - 9.8-15.1 HB3 LYS 26 - QD2 LEU 122 far 0 71 0 - 9.9-18.1 Violated in 0 structures by 0.00 A. Peak 3904 from cnoeabs.peaks (1.60, 0.79, 26.05 ppm; 3.51 A): 3 out of 10 assignments used, quality = 1.00: * HG LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 122 + QD2 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 70 + QD2 LEU 122 OK 53 99 60 90 3.2-8.5 ~2272=12, ~2272=11...(50) HB2 LEU 122 - QD1 LEU 53 poor 19 93 20 - 3.5-9.4 HG LEU 119 - QD1 LEU 53 poor 16 78 20 - 3.3-9.7 HG LEU 122 - QD1 LEU 53 poor 12 93 40 33 2.0-9.1 4.6/3900=4, 7745/3907=4...(14) HG LEU 119 - QD2 LEU 122 poor 12 89 25 52 3.6-8.2 3.7/3759=10, ~3770=7...(18) HB2 LEU 103 - QD2 LEU 122 far 10 65 15 - 4.3-7.1 HB2 LEU 103 - QD1 LEU 53 far 0 56 0 - 6.1-14.0 HG LEU 70 - QD1 LEU 53 far 0 91 0 - 6.5-13.5 Violated in 0 structures by 0.00 A. Peak 3905 from cnoeabs.peaks (0.81, 0.79, 26.05 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 53 + QD1 LEU 53 OK 85 85 - 100 QD2 LEU 122 + QD2 LEU 122 OK 83 83 - 100 Reference assignment not found: QD1 LEU 122 - QD2 LEU 122 Peak 3906 from cnoeabs.peaks (0.79, 0.79, 26.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 122 + QD2 LEU 122 OK 100 100 - 100 QD1 LEU 53 + QD1 LEU 53 OK 91 91 - 100 Peak 3907 from cnoeabs.peaks (8.26, 0.79, 26.05 ppm; 3.72 A): 3 out of 11 assignments used, quality = 0.99: * H LEU 123 + QD2 LEU 122 OK 96 100 100 96 1.6-3.9 7744/3.1=25, 3.3/7733=22...(41) H LEU 123 + QD1 LEU 53 OK 59 93 75 85 2.9-6.2 ~9254=31, 11818/2.1=23...(25) H LEU 96 + QD2 LEU 122 OK 29 92 35 91 4.1-8.1 2.9/3901=18...(44) H SER 107 - QD2 LEU 122 far 0 71 0 - 6.6-10.9 H ALA 29 - QD1 LEU 53 far 0 87 0 - 7.4-21.2 H ASP 131 - QD1 LEU 53 far 0 87 0 - 7.6-11.4 H LEU 96 - QD1 LEU 53 far 0 82 0 - 8.0-11.6 H GLU 30 - QD1 LEU 53 far 0 93 0 - 8.5-20.4 H ASP 131 - QD2 LEU 122 far 0 97 0 - 8.8-12.8 H SER 107 - QD1 LEU 53 far 0 61 0 - 9.1-18.0 H ALA 29 - QD2 LEU 122 far 0 97 0 - 9.3-14.2 Violated in 0 structures by 0.00 A. Peak 3908 from cnoeabs.peaks (8.26, 3.85, 58.53 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 123 + HA LEU 123 OK 100 100 100 100 2.7-2.9 2.9=100 H LEU 96 - HA LEU 123 far 0 92 0 - 7.5-9.6 H ASP 131 - HA LEU 123 far 0 97 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 3909 from cnoeabs.peaks (3.85, 3.85, 58.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 123 + HA LEU 123 OK 100 100 - 100 Peak 3910 from cnoeabs.peaks (1.65, 3.85, 58.53 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 123 + HA LEU 123 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 69 - HA LEU 123 far 4 85 5 - 5.5-10.6 HG LEU 62 - HA LEU 123 far 0 100 0 - 5.8-9.7 HG LEU 119 - HA LEU 123 far 0 63 0 - 7.1-9.7 HD2 LYS 95 - HA LEU 123 far 0 100 0 - 9.8-14.8 Violated in 0 structures by 0.00 A. Peak 3911 from cnoeabs.peaks (1.88, 3.85, 58.53 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LEU 123 + HA LEU 123 OK 98 98 100 100 2.7-3.0 3.0=100 HB3 LEU 119 - HA LEU 123 far 0 100 0 - 6.8-8.4 HB3 LEU 48 - HA LEU 123 far 0 87 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 3912 from cnoeabs.peaks (1.57, 3.85, 58.53 ppm; 4.42 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 123 + HA LEU 123 OK 100 100 100 100 2.9-3.8 3.7=100 HG LEU 49 + HA LEU 123 OK 39 100 40 97 4.4-8.0 11615/10393=33...(28) HB2 LEU 119 - HA LEU 123 far 0 78 0 - 6.5-7.7 HB2 LEU 103 - HA LEU 123 far 0 97 0 - 8.4-12.5 HG LEU 103 - HA LEU 123 far 0 97 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3913 from cnoeabs.peaks (0.88, 3.85, 58.53 ppm; 3.81 A): 3 out of 12 assignments used, quality = 1.00: * QD2 LEU 123 + HA LEU 123 OK 100 100 100 100 1.6-4.1 3.9=91, 3947/3.0=69...(32) QD1 LEU 49 + HA LEU 123 OK 50 63 100 80 1.8-4.7 3933/3.0=18, 3924/3.0=16...(21) QG1 VAL 118 + HA LEU 123 OK 30 92 55 59 4.4-7.5 7752/2.9=17, 7766/3.6=13...(10) QD1 LEU 62 - HA LEU 123 poor 18 60 30 - 4.7-7.7 QD2 LEU 69 - HA LEU 123 poor 12 92 50 27 4.0-8.6 11052/11669=10...(6) QD2 LEU 70 - HA LEU 123 lone 1 63 35 7 4.7-8.8 11083/3916=4, ~3899=1 QD2 LEU 48 - HA LEU 123 far 0 73 0 - 6.6-10.1 QG2 VAL 57 - HA LEU 123 far 0 78 0 - 6.7-10.1 QG2 VAL 63 - HA LEU 123 far 0 68 0 - 6.9-10.6 QD2 LEU 98 - HA LEU 123 far 0 99 0 - 7.6-12.3 QG1 VAL 20 - HA LEU 123 far 0 76 0 - 9.3-30.4 QD1 LEU 98 - HA LEU 123 far 0 78 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 3914 from cnoeabs.peaks (0.93, 3.85, 58.53 ppm; 3.64 A): 3 out of 12 assignments used, quality = 1.00: * QD1 LEU 123 + HA LEU 123 OK 100 100 100 100 2.6-3.8 4.0=73, 3954/3.0=47...(28) QD1 LEU 49 + HA LEU 123 OK 81 92 100 88 1.8-4.7 9209=26, 3934/3.0=24...(22) QG1 VAL 126 + HA LEU 123 OK 57 60 100 95 1.7-4.2 2.1/3917=50, 10393=39...(22) QD1 LEU 62 - HA LEU 123 poor 19 93 20 - 4.7-7.7 QG1 VAL 118 - HA LEU 123 poor 9 63 40 36 4.4-7.5 ~11534=9, 10512/2.9=7...(9) QD1 LEU 48 - HA LEU 123 far 0 100 0 - 6.3-11.0 QD2 LEU 48 - HA LEU 123 far 0 85 0 - 6.6-10.1 QG2 VAL 63 - HA LEU 123 far 0 89 0 - 6.9-10.6 QD1 LEU 119 - HA LEU 123 far 0 93 0 - 6.9-8.7 QG2 ILE 37 - HA LEU 123 far 0 99 0 - 7.2-15.5 QG1 VAL 57 - HA LEU 123 far 0 81 0 - 8.0-12.3 QG1 VAL 20 - HA LEU 123 far 0 83 0 - 9.3-30.4 Violated in 0 structures by 0.00 A. Peak 3915 from cnoeabs.peaks (7.95, 3.85, 58.53 ppm; 5.17 A): 1 out of 3 assignments used, quality = 1.00: * H SER 124 + HA LEU 123 OK 100 100 100 100 3.5-3.6 3.6=100 HD22 ASN 116 - HA LEU 123 far 0 60 0 - 8.0-15.8 H ASP 64 - HA LEU 123 far 0 95 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3916 from cnoeabs.peaks (8.29, 3.85, 58.53 ppm; 4.87 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 126 + HA LEU 123 OK 100 100 100 100 3.4-4.2 7772/3.6=69...(18) H LEU 49 - HA LEU 123 far 5 96 5 - 6.3-9.4 H LEU 69 - HA LEU 123 far 0 99 0 - 7.1-11.3 H LEU 96 - HA LEU 123 far 0 90 0 - 7.5-9.6 H SER 99 - HA LEU 123 far 0 100 0 - 8.4-11.2 H ASP 131 - HA LEU 123 far 0 83 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 3917 from cnoeabs.peaks (2.10, 3.85, 58.53 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 126 + HA LEU 123 OK 100 100 100 100 2.8-4.8 4008=84, 2.1/10393=79...(21) HB2 GLU 128 - HA LEU 123 far 0 73 0 - 7.4-10.1 HB VAL 57 - HA LEU 123 far 0 92 0 - 8.8-13.7 HB2 GLN 61 - HA LEU 123 far 0 99 0 - 9.8-14.5 Violated in 6 structures by 0.07 A. Peak 3918 from cnoeabs.peaks (4.42, 1.65, 41.23 ppm; 4.81 A): 2 out of 3 assignments used, quality = 1.00: * HA ASN 120 + HB2 LEU 123 OK 100 100 100 100 2.1-4.6 3813=100, 3927/1.8=89...(24) HA THR 54 + HB2 LEU 123 OK 22 100 25 87 4.5-10.3 9277/3.2=34, 9277/3.2=25...(9) HA PRO 58 - HB2 LEU 123 far 0 57 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 3919 from cnoeabs.peaks (8.26, 1.65, 41.23 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.0-3.6 3.9=100 H LEU 96 - HB2 LEU 123 far 0 92 0 - 9.4-11.3 H ASP 131 - HB2 LEU 123 far 0 97 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 3920 from cnoeabs.peaks (3.85, 1.65, 41.23 ppm; 4.20 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 50 - HB2 LEU 123 far 15 97 15 - 5.2-9.3 HA LEU 62 - HB2 LEU 123 far 10 100 10 - 4.8-9.7 HB2 SER 130 - HB2 LEU 123 far 0 68 0 - 8.2-12.6 HD2 PRO 117 - HB2 LEU 123 far 0 96 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 3921 from cnoeabs.peaks (1.65, 1.65, 41.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 123 + HB2 LEU 123 OK 100 100 - 100 Peak 3922 from cnoeabs.peaks (1.88, 1.65, 41.23 ppm; 3.55 A): 2 out of 2 assignments used, quality = 0.99: * HB3 LEU 123 + HB2 LEU 123 OK 98 98 100 100 1.8-1.8 1.8=100 HB3 LEU 119 + HB2 LEU 123 OK 34 100 35 98 4.2-7.4 11552/3.9=30...(46) Violated in 0 structures by 0.00 A. Peak 3923 from cnoeabs.peaks (1.57, 1.65, 41.23 ppm; 4.35 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 119 + HB2 LEU 123 OK 62 78 80 98 4.0-6.3 3932/1.8=33, ~3764=29...(46) HG LEU 49 - HB2 LEU 123 far 5 100 5 - 5.0-10.1 HB2 LEU 103 - HB2 LEU 123 far 0 97 0 - 8.0-12.4 HG LEU 103 - HB2 LEU 123 far 0 97 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 3924 from cnoeabs.peaks (0.88, 1.65, 41.23 ppm; 3.55 A): 4 out of 12 assignments used, quality = 1.00: * QD2 LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-2.9 3.2=100 QD1 LEU 49 + HB2 LEU 123 OK 50 63 85 94 2.3-6.4 3933/1.8=21, 3957/3.2=15...(49) QD1 LEU 62 + HB2 LEU 123 OK 25 60 45 92 2.5-7.4 ~10347=25, 2.1/2001=24...(30) QG1 VAL 118 + HB2 LEU 123 OK 23 92 60 42 3.7-6.9 7752/3.9=12...(8) QG2 VAL 57 - HB2 LEU 123 far 0 78 0 - 5.2-8.6 QD2 LEU 69 - HB2 LEU 123 far 0 92 0 - 5.5-10.8 QG2 VAL 63 - HB2 LEU 123 far 0 68 0 - 6.0-10.3 QD2 LEU 70 - HB2 LEU 123 far 0 63 0 - 6.5-10.6 QD2 LEU 48 - HB2 LEU 123 far 0 73 0 - 7.3-10.8 QD2 LEU 98 - HB2 LEU 123 far 0 99 0 - 8.0-12.6 QG1 VAL 20 - HB2 LEU 123 far 0 76 0 - 9.2-31.6 QD1 LEU 98 - HB2 LEU 123 far 0 78 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 3925 from cnoeabs.peaks (0.93, 1.65, 41.23 ppm; 3.91 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 123 + HB2 LEU 123 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 LEU 49 + HB2 LEU 123 OK 82 92 90 99 2.3-6.4 3934/1.8=35, 3950/3.2=29...(51) QD1 LEU 62 + HB2 LEU 123 OK 45 93 50 97 2.5-7.4 ~10347=32, 2.1/2001=27...(36) QG1 VAL 126 + HB2 LEU 123 OK 45 60 80 93 3.5-6.0 ~3917=30, 10393/3.0=27...(18) QG1 VAL 118 - HB2 LEU 123 poor 10 63 65 25 3.7-6.9 10512/3.9=7, 7767/7763=5...(8) QD1 LEU 119 - HB2 LEU 123 far 9 93 10 - 5.2-8.0 QG2 VAL 63 - HB2 LEU 123 far 0 89 0 - 6.0-10.3 QG1 VAL 57 - HB2 LEU 123 far 0 81 0 - 7.1-11.0 QD1 LEU 48 - HB2 LEU 123 far 0 100 0 - 7.2-11.4 QD2 LEU 48 - HB2 LEU 123 far 0 85 0 - 7.3-10.8 QG2 ILE 37 - HB2 LEU 123 far 0 99 0 - 9.1-17.4 QG1 VAL 20 - HB2 LEU 123 far 0 83 0 - 9.2-31.6 Violated in 0 structures by 0.00 A. Peak 3926 from cnoeabs.peaks (7.95, 1.65, 41.23 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * H SER 124 + HB2 LEU 123 OK 100 100 100 100 2.6-4.2 7763=100, 7764/1.8=90...(26) HD22 ASN 116 - HB2 LEU 123 far 0 60 0 - 5.8-13.9 H ASP 64 - HB2 LEU 123 far 0 95 0 - 8.6-13.2 Violated in 0 structures by 0.00 A. Peak 3927 from cnoeabs.peaks (4.42, 1.88, 41.23 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.98: * HA ASN 120 + HB3 LEU 123 OK 98 98 100 100 2.4-3.5 3813/1.8=92...(22) HA THR 54 - HB3 LEU 123 far 15 98 15 - 3.7-9.1 Violated in 0 structures by 0.00 A. Peak 3928 from cnoeabs.peaks (8.26, 1.88, 41.23 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.1-3.5 3.9=100 H LEU 96 - HB3 LEU 123 far 0 87 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 3929 from cnoeabs.peaks (3.85, 1.88, 41.23 ppm; 4.59 A): 2 out of 4 assignments used, quality = 0.98: * HA LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.7-3.0 3.0=100 HB2 SER 50 + HB3 LEU 123 OK 30 94 35 93 5.6-8.8 11773/3.2=27, ~11874=26...(22) HA LEU 62 - HB3 LEU 123 far 5 98 5 - 6.1-11.5 HB2 SER 130 - HB3 LEU 123 far 0 64 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 3930 from cnoeabs.peaks (1.65, 1.88, 41.23 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.98: * HB2 LEU 123 + HB3 LEU 123 OK 98 98 100 100 1.8-1.8 1.8=100 HG LEU 62 - HB3 LEU 123 far 0 98 0 - 5.0-10.2 HG LEU 119 - HB3 LEU 123 far 0 58 0 - 6.4-9.2 HB2 LEU 69 - HB3 LEU 123 far 0 80 0 - 8.4-13.4 Violated in 0 structures by 0.00 A. Peak 3931 from cnoeabs.peaks (1.88, 1.88, 41.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: * HB3 LEU 123 + HB3 LEU 123 OK 94 94 - 100 Peak 3932 from cnoeabs.peaks (1.57, 1.88, 41.23 ppm; 4.07 A): 2 out of 5 assignments used, quality = 0.99: * HG LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.2-2.8 3.0=100 HB2 LEU 119 + HB3 LEU 123 OK 58 74 80 98 4.5-6.9 3768=29, 2.9/3757=28...(42) HG LEU 49 - HB3 LEU 123 far 0 97 0 - 6.0-9.6 HG LEU 103 - HB3 LEU 123 far 0 93 0 - 9.4-13.4 HB2 LEU 103 - HB3 LEU 123 far 0 94 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3933 from cnoeabs.peaks (0.88, 1.88, 41.23 ppm; 3.60 A): 2 out of 11 assignments used, quality = 0.99: * QD2 LEU 123 + HB3 LEU 123 OK 98 98 100 100 2.0-3.2 3.2=100 QD1 LEU 49 + HB3 LEU 123 OK 46 58 85 93 3.0-6.0 3924/1.8=19, 3957/3.2=16...(45) QG1 VAL 118 - HB3 LEU 123 poor 12 87 30 47 4.5-7.9 3924/1.8=15...(9) QD1 LEU 62 - HB3 LEU 123 far 8 56 15 - 3.4-8.6 QG2 VAL 57 - HB3 LEU 123 far 0 74 0 - 5.5-9.7 QD2 LEU 69 - HB3 LEU 123 far 0 87 0 - 6.4-10.9 QG2 VAL 63 - HB3 LEU 123 far 0 64 0 - 7.2-11.7 QD2 LEU 70 - HB3 LEU 123 far 0 58 0 - 7.2-11.1 QD2 LEU 48 - HB3 LEU 123 far 0 69 0 - 7.6-11.4 QD2 LEU 98 - HB3 LEU 123 far 0 95 0 - 8.4-13.5 QD1 LEU 98 - HB3 LEU 123 far 0 74 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 3934 from cnoeabs.peaks (0.93, 1.88, 41.23 ppm; 3.49 A): 3 out of 11 assignments used, quality = 0.99: * QD1 LEU 123 + HB3 LEU 123 OK 98 98 100 100 1.9-3.1 3.2=100 QD1 LEU 49 + HB3 LEU 123 OK 54 87 65 95 3.0-6.0 3950/3.2=25, 3925/1.8=22...(46) QG1 VAL 126 + HB3 LEU 123 OK 29 56 60 86 4.0-6.6 ~3917=23, 10393/3.0=22...(16) QD1 LEU 62 - HB3 LEU 123 far 13 89 15 - 3.4-8.6 QG1 VAL 118 - HB3 LEU 123 far 9 58 15 - 4.5-7.9 QD1 LEU 119 - HB3 LEU 123 far 0 89 0 - 6.1-7.8 QG2 VAL 63 - HB3 LEU 123 far 0 84 0 - 7.2-11.7 QG1 VAL 57 - HB3 LEU 123 far 0 76 0 - 7.4-12.1 QD2 LEU 48 - HB3 LEU 123 far 0 80 0 - 7.6-11.4 QD1 LEU 48 - HB3 LEU 123 far 0 97 0 - 7.6-11.9 QG2 ILE 37 - HB3 LEU 123 far 0 95 0 - 9.5-18.0 Violated in 0 structures by 0.00 A. Peak 3935 from cnoeabs.peaks (7.95, 1.88, 41.23 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.98: * H SER 124 + HB3 LEU 123 OK 98 98 100 100 2.1-3.7 4.6=100 HD22 ASN 116 - HB3 LEU 123 far 0 56 0 - 7.4-15.2 Violated in 0 structures by 0.00 A. Peak 3936 from cnoeabs.peaks (8.26, 1.57, 26.72 ppm; 4.52 A): 2 out of 17 assignments used, quality = 1.00: * H LEU 123 + HG LEU 123 OK 100 100 100 100 2.2-4.6 4.6=94, 3944/2.1=83...(25) H ARG 23 + HG2 ARG 23 OK 66 66 100 100 1.9-3.3 6205=88, 6203/3.0=81...(21) H SER 107 - HG LEU 103 poor 17 55 30 - 4.3-9.7 H ALA 29 - HG2 ARG 23 far 3 70 5 - 5.2-15.2 H LYS 31 - HG2 ARG 23 far 0 44 0 - 6.1-19.4 H SER 107 - HG2 ARG 23 far 0 46 0 - 6.1-38.4 H GLU 30 - HG2 ARG 23 far 0 76 0 - 6.2-17.6 H ALA 29 - HG LEU 49 far 0 71 0 - 6.8-19.1 H LEU 123 - HG LEU 49 far 0 78 0 - 7.1-10.7 H SER 33 - HG2 ARG 23 far 0 42 0 - 7.2-24.5 H LEU 123 - HG LEU 103 far 0 87 0 - 7.7-10.6 H ALA 29 - HG LEU 103 far 0 81 0 - 8.0-20.4 H GLU 30 - HG LEU 49 far 0 77 0 - 8.4-18.9 H ASP 131 - HG LEU 49 far 0 71 0 - 8.7-10.7 H LEU 43 - HG LEU 49 far 0 42 0 - 8.7-9.7 H GLU 40 - HG2 ARG 23 far 0 54 0 - 8.9-34.2 H LEU 96 - HG LEU 123 far 0 92 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3937 from cnoeabs.peaks (3.85, 1.57, 26.72 ppm; 4.82 A): 5 out of 15 assignments used, quality = 1.00: * HA LEU 123 + HG LEU 123 OK 100 100 100 100 2.9-3.8 3.7=100 HB2 SER 50 + HG LEU 49 OK 72 72 100 100 3.9-5.5 3.9/6620=37, ~9209=31...(32) HA LEU 123 + HG LEU 49 OK 50 78 65 99 4.4-8.0 10393/11615=38...(28) HB2 SER 50 + HG LEU 123 OK 38 97 40 99 3.4-8.5 ~11874=40, 11773/2.1=34...(24) HA LEU 62 + HG LEU 123 OK 29 100 40 73 3.7-10.2 10950=23, 3945/2.1=20...(15) HA LEU 62 - HG LEU 49 far 8 77 10 - 6.2-8.6 HB2 SER 130 - HG LEU 49 poor 5 46 50 20 5.8-8.0 11699/2.1=8...(7) HD2 PRO 117 - HG LEU 103 far 4 79 5 - 6.3-14.4 HA LEU 62 - HG LEU 103 far 0 87 0 - 6.8-10.2 HB3 SER 33 - HG2 ARG 23 far 0 75 0 - 7.0-27.1 HA LEU 123 - HG LEU 103 far 0 87 0 - 9.5-12.8 HA LEU 62 - HG2 ARG 23 far 0 76 0 - 9.5-27.2 HD3 PRO 58 - HG LEU 123 far 0 63 0 - 9.6-15.4 HB2 SER 130 - HG LEU 123 far 0 68 0 - 9.7-12.7 HD3 PRO 58 - HG2 ARG 23 far 0 41 0 - 9.8-31.6 Violated in 0 structures by 0.00 A. Peak 3938 from cnoeabs.peaks (1.65, 1.57, 26.72 ppm; 4.35 A): 5 out of 36 assignments used, quality = 1.00: * HB2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 62 + HG LEU 123 OK 50 100 50 99 3.1-9.0 ~10347=53, 3946/2.1=34...(32) HG3 ARG 23 + HG2 ARG 23 OK 48 48 100 100 1.8-1.8 1.8=100 HB2 LEU 69 + HG LEU 49 OK 37 59 65 97 4.2-7.5 ~11061=33, ~11049=26...(28) HG LEU 119 + HG LEU 123 OK 20 63 35 93 4.7-8.8 2.9/3939=20, 2.1/3791=15...(30) HD3 LYS 26 - HG2 ARG 23 poor 16 73 30 73 4.0-14.9 ~10729=31, 11449/3.0=16...(11) HD2 LYS 26 - HG2 ARG 23 poor 14 71 20 - 4.6-14.9 HG LEU 62 - HG LEU 103 far 13 87 15 - 4.8-10.5 HG LEU 119 - HG LEU 103 far 7 48 15 - 4.9-10.5 HD3 LYS 24 - HG2 ARG 23 far 7 71 10 - 5.4-10.3 HB2 LEU 123 - HG LEU 49 far 4 78 5 - 5.0-10.1 HD2 LYS 19 - HG2 ARG 23 far 4 76 5 - 4.9-14.3 HD2 LYS 24 - HG2 ARG 23 far 3 70 5 - 5.8-9.7 HD3 LYS 36 - HG2 ARG 23 far 0 56 0 - 5.9-25.7 HD3 LYS 19 - HG2 ARG 23 far 0 76 0 - 6.2-13.2 HD2 LYS 36 - HG2 ARG 23 far 0 56 0 - 6.8-24.9 HD2 LYS 31 - HG2 ARG 23 far 0 70 0 - 6.9-18.8 HG LEU 62 - HG LEU 49 far 0 77 0 - 6.9-10.4 HB2 LEU 98 - HG2 ARG 23 far 0 76 0 - 7.0-38.4 HD3 LYS 31 - HG2 ARG 23 far 0 71 0 - 7.2-19.6 HD2 LYS 36 - HG LEU 49 far 0 57 0 - 7.3-16.7 HD3 LYS 36 - HG LEU 49 far 0 57 0 - 7.6-15.8 HD3 LYS 24 - HG LEU 49 far 0 72 0 - 8.3-26.2 HB2 LEU 69 - HG LEU 123 far 0 85 0 - 8.3-13.5 HD3 LYS 26 - HG LEU 103 far 0 84 0 - 8.5-25.0 HD2 LYS 26 - HG LEU 49 far 0 72 0 - 8.6-24.7 HB2 LEU 123 - HG LEU 103 far 0 87 0 - 8.7-12.6 HD3 LYS 26 - HG LEU 49 far 0 74 0 - 8.8-24.6 HD2 LYS 24 - HG LEU 49 far 0 71 0 - 9.1-27.4 HD2 LYS 26 - HG LEU 123 far 0 97 0 - 9.4-23.5 HG3 ARG 23 - HG LEU 103 far 0 57 0 - 9.4-34.1 HD2 LYS 31 - HG LEU 49 far 0 71 0 - 9.5-23.5 HD2 LYS 19 - HG LEU 49 far 0 78 0 - 9.6-35.7 HD3 LYS 31 - HG LEU 49 far 0 72 0 - 9.6-22.2 HG LEU 43 - HG LEU 49 far 0 75 0 - 9.8-11.2 HD2 LYS 26 - HG LEU 103 far 0 82 0 - 10.0-25.8 Violated in 0 structures by 0.00 A. Peak 3939 from cnoeabs.peaks (1.88, 1.57, 26.72 ppm; 4.23 A): 3 out of 11 assignments used, quality = 0.99: * HB3 LEU 123 + HG LEU 123 OK 98 98 100 100 2.2-2.8 3.0=100 HB3 LEU 119 + HG LEU 123 OK 60 100 60 99 4.0-7.5 11552/4.6=38...(42) HB3 LEU 48 + HG LEU 49 OK 36 61 60 98 4.4-6.4 3.1/9205=50, 4.6/6606=40...(32) HB3 LEU 123 - HG LEU 49 far 0 73 0 - 6.0-9.6 HB3 LYS 36 - HG2 ARG 23 far 0 73 0 - 6.1-28.1 HB3 LEU 48 - HG2 ARG 23 far 0 60 0 - 6.5-30.2 HB3 LEU 119 - HG LEU 103 far 0 86 0 - 7.0-11.3 HB3 LYS 36 - HG LEU 49 far 0 74 0 - 8.2-17.3 HB2 GLU 40 - HG2 ARG 23 far 0 50 0 - 8.8-35.2 HB3 LEU 48 - HG LEU 123 far 0 87 0 - 9.0-13.7 HB3 LEU 123 - HG LEU 103 far 0 83 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 3940 from cnoeabs.peaks (1.57, 1.57, 26.72 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 123 + HG LEU 123 OK 100 100 - 100 HG LEU 103 + HG LEU 103 OK 81 81 - 100 HG LEU 49 + HG LEU 49 OK 76 76 - 100 HG2 ARG 23 + HG2 ARG 23 OK 73 73 - 100 Peak 3941 from cnoeabs.peaks (0.88, 1.57, 26.72 ppm; 2.97 A): 9 out of 44 assignments used, quality = 1.00: * QD2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 123 + HG LEU 49 OK 62 78 85 95 3.5-7.4 3948=44, 3950/2.1=27...(40) QG2 VAL 63 + HG LEU 103 OK 47 53 100 89 1.9-3.2 11822/2.1=24, ~11832=16...(30) QD1 LEU 49 + HG LEU 49 OK 42 42 100 100 2.1-2.1 2.1=100 QD1 LEU 49 + HG LEU 123 OK 40 63 75 85 3.1-5.5 3957/2.1=16, 1584=13...(29) QD2 LEU 69 + HG LEU 49 OK 40 66 70 86 2.5-5.9 11061/2.1=35...(22) QG1 VAL 118 + HG LEU 103 OK 36 75 50 97 3.3-8.1 10261=26, ~10069=26...(24) QD2 LEU 48 + HG LEU 49 OK 35 50 90 78 3.1-4.5 9205=30, 10957/11025=12...(28) QG2 VAL 20 + HG2 ARG 23 OK 34 73 70 66 2.2-7.6 ~10713=16, 11844/3.0=12...(17) QD1 LEU 62 - HG LEU 123 poor 19 60 40 80 2.4-7.9 ~10347=23, ~10347=15...(21) QD1 LEU 22 - HG2 ARG 23 poor 18 71 25 - 2.6-7.8 QD1 LEU 62 - HG LEU 103 poor 13 46 55 52 2.6-7.5 11822/2.1=14, ~11823=14...(14) QG1 VAL 20 - HG2 ARG 23 poor 10 50 20 - 2.4-8.1 QG2 VAL 57 - HG LEU 123 far 8 78 10 - 3.7-8.4 QG1 VAL 118 - HG LEU 123 far 5 92 5 - 4.2-8.7 QG1 VAL 20 - HG LEU 49 far 0 52 0 - 5.6-25.4 QD2 LEU 69 - HG LEU 123 far 0 92 0 - 5.7-10.5 QD2 LEU 70 - HG LEU 49 far 0 42 0 - 5.9-11.7 QG2 VAL 63 - HG LEU 123 far 0 68 0 - 6.0-11.5 QD2 LEU 48 - HG LEU 123 far 0 73 0 - 6.2-9.8 QD2 LEU 70 - HG LEU 103 far 0 48 0 - 6.3-11.1 QG2 VAL 20 - HG LEU 49 far 0 75 0 - 6.3-24.0 QD1 LEU 62 - HG LEU 49 far 0 40 0 - 6.5-9.2 QD2 LEU 70 - HG LEU 123 far 0 63 0 - 7.0-11.1 QD2 LEU 123 - HG LEU 103 far 0 87 0 - 7.1-10.5 QD2 LEU 48 - HG2 ARG 23 far 0 48 0 - 7.2-23.0 QG2 VAL 57 - HG LEU 49 far 0 54 0 - 7.5-9.2 QD1 LEU 98 - HG2 ARG 23 far 0 52 0 - 7.5-32.8 QD2 LEU 98 - HG LEU 103 far 0 84 0 - 8.1-11.2 QG1 VAL 118 - HG LEU 49 far 0 66 0 - 8.1-12.4 QG2 VAL 57 - HG LEU 103 far 0 62 0 - 8.1-10.9 QD1 LEU 98 - HG LEU 103 far 0 62 0 - 8.2-12.1 QG1 VAL 20 - HG LEU 123 far 0 76 0 - 8.3-30.7 QG2 VAL 57 - HG2 ARG 23 far 0 52 0 - 8.3-25.2 QG1 VAL 118 - HG2 ARG 23 far 0 64 0 - 8.6-27.9 QD2 LEU 69 - HG LEU 103 far 0 75 0 - 8.7-13.7 QG2 VAL 63 - HG LEU 49 far 0 46 0 - 8.8-11.6 QD2 LEU 98 - HG2 ARG 23 far 0 73 0 - 9.0-30.6 QD1 LEU 22 - HG LEU 103 far 0 82 0 - 9.2-29.1 QD1 LEU 49 - HG LEU 103 far 0 48 0 - 9.4-12.7 QD2 LEU 98 - HG LEU 123 far 0 99 0 - 9.4-14.2 QG2 VAL 63 - HG2 ARG 23 far 0 44 0 - 9.6-25.5 QG2 VAL 20 - HG LEU 123 far 0 99 0 - 9.7-28.4 QD2 LEU 48 - HG LEU 103 far 0 57 0 - 9.8-17.1 Violated in 0 structures by 0.00 A. Peak 3942 from cnoeabs.peaks (0.93, 1.57, 26.72 ppm; 3.30 A): 10 out of 43 assignments used, quality = 1.00: * QD1 LEU 123 + HG LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 49 + HG LEU 123 OK 74 92 85 95 3.1-5.5 3950/2.1=31, 1584=25...(37) QG2 VAL 63 + HG LEU 103 OK 69 72 100 96 1.9-3.2 11822/2.1=24...(32) QD1 LEU 49 + HG LEU 49 OK 66 66 100 100 2.1-2.1 2.1=100 QD2 LEU 48 + HG LEU 49 OK 55 59 100 93 3.1-4.5 9205=52, 10957/11025=19...(34) QD1 LEU 62 + HG LEU 123 OK 42 93 50 91 2.4-7.9 ~10347=30, ~10347=19...(28) QG1 VAL 118 + HG LEU 103 OK 36 48 75 98 3.3-8.1 ~10069=33, ~10069=31...(25) QD1 LEU 123 + HG LEU 49 OK 34 78 45 97 3.8-6.5 2.1/3948=33, 3956=22...(44) QD1 LEU 62 + HG LEU 103 OK 32 77 60 70 2.6-7.5 ~11823=18, 11822/2.1=14...(19) QD1 LEU 48 + HG LEU 49 OK 32 77 45 92 2.1-5.9 2.1/9205=43...(34) QG1 VAL 126 - HG LEU 49 poor 20 40 50 - 3.4-7.0 QG1 VAL 126 - HG LEU 123 poor 16 60 45 58 4.1-6.5 10393/3.7=16, 11682=12...(11) QG1 VAL 20 - HG2 ARG 23 poor 14 56 25 - 2.4-8.1 QD1 LEU 119 - HG LEU 123 far 5 93 5 - 4.7-7.7 QG1 VAL 118 - HG LEU 123 far 3 63 5 - 4.2-8.7 QG1 VAL 57 - HG LEU 123 far 0 81 0 - 5.4-10.5 QD1 LEU 119 - HG LEU 103 far 0 77 0 - 5.5-8.5 QG2 VAL 112 - HG LEU 103 far 0 86 0 - 5.5-13.6 QG1 VAL 20 - HG LEU 49 far 0 57 0 - 5.6-25.4 QG2 VAL 63 - HG LEU 123 far 0 89 0 - 6.0-11.5 QD2 LEU 48 - HG LEU 123 far 0 85 0 - 6.2-9.8 QG2 ILE 37 - HG LEU 49 far 0 74 0 - 6.2-13.0 QG2 ILE 37 - HG2 ARG 23 far 0 73 0 - 6.2-23.9 QD1 LEU 48 - HG LEU 123 far 0 100 0 - 6.3-11.1 QD1 LEU 48 - HG2 ARG 23 far 0 75 0 - 6.5-23.4 QD1 LEU 62 - HG LEU 49 far 0 67 0 - 6.5-9.2 QD2 LEU 48 - HG2 ARG 23 far 0 58 0 - 7.2-23.0 QG1 VAL 57 - HG LEU 49 far 0 55 0 - 8.1-10.8 QG1 VAL 118 - HG LEU 49 far 0 42 0 - 8.1-12.4 QD1 LEU 123 - HG LEU 103 far 0 87 0 - 8.2-12.1 QG1 VAL 126 - HG LEU 103 far 0 46 0 - 8.2-11.0 QG1 VAL 57 - HG2 ARG 23 far 0 54 0 - 8.3-25.7 QG1 VAL 20 - HG LEU 123 far 0 83 0 - 8.3-30.7 QG1 VAL 118 - HG2 ARG 23 far 0 41 0 - 8.6-27.9 QG2 ILE 37 - HG LEU 123 far 0 99 0 - 8.7-17.7 QG2 VAL 63 - HG LEU 49 far 0 63 0 - 8.8-11.6 QD1 LEU 119 - HG LEU 49 far 0 67 0 - 9.4-12.8 QD1 LEU 49 - HG LEU 103 far 0 75 0 - 9.4-12.7 QG2 VAL 63 - HG2 ARG 23 far 0 61 0 - 9.6-25.5 QD1 LEU 48 - HG LEU 103 far 0 86 0 - 9.8-18.7 QD2 LEU 48 - HG LEU 103 far 0 68 0 - 9.8-17.1 QD1 LEU 119 - HG2 ARG 23 far 0 66 0 - 9.9-29.3 QG1 VAL 57 - HG LEU 103 far 0 64 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 3943 from cnoeabs.peaks (7.95, 1.57, 26.72 ppm; 4.96 A): 2 out of 11 assignments used, quality = 1.00: * H SER 124 + HG LEU 123 OK 100 100 100 100 2.4-5.3 7765=100, 7764/3.0=86...(25) HD22 ASN 116 + HG LEU 103 OK 22 46 70 67 3.3-13.4 ~11425=48, ~10219=24...(4) H VAL 112 - HG LEU 103 far 4 81 5 - 5.3-13.2 HD22 ASN 116 - HG LEU 123 far 3 60 5 - 5.9-15.4 H ASP 64 - HG LEU 103 far 0 78 0 - 6.6-8.5 H THR 18 - HG2 ARG 23 far 0 42 0 - 6.9-13.2 H ILE 37 - HG2 ARG 23 far 0 54 0 - 7.8-27.0 H SER 124 - HG LEU 49 far 0 78 0 - 7.8-11.2 H ASP 64 - HG LEU 123 far 0 95 0 - 8.3-14.0 H ASP 64 - HG LEU 49 far 0 69 0 - 9.1-11.6 H ASP 64 - HG2 ARG 23 far 0 67 0 - 10.0-26.2 Violated in 1 structures by 0.00 A. Peak 3944 from cnoeabs.peaks (8.26, 0.88, 25.36 ppm; 4.10 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.4-4.1 4.8=63, 7750/3.2=63...(29) H ASP 131 - QD2 LEU 123 far 0 97 0 - 7.5-11.2 H LEU 96 - QD2 LEU 123 far 0 92 0 - 8.1-10.1 H ALA 29 - QD2 LEU 123 far 0 97 0 - 8.7-16.7 H LEU 43 - QD2 LEU 123 far 0 63 0 - 9.1-14.5 H GLU 30 - QD2 LEU 123 far 0 100 0 - 9.4-17.9 H SER 33 - QD2 LEU 123 far 0 65 0 - 9.9-17.3 Violated in 0 structures by 0.00 A. Peak 3945 from cnoeabs.peaks (3.85, 0.88, 25.36 ppm; 3.99 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 123 + QD2 LEU 123 OK 100 100 100 100 1.6-4.1 3.9=100 HB2 SER 50 + QD2 LEU 123 OK 56 97 60 95 1.9-6.4 3.0/11636=41, ~11874=27...(28) HA LEU 62 + QD2 LEU 123 OK 44 100 55 81 3.1-7.9 3.9/10348=31...(20) HB2 SER 130 - QD2 LEU 123 far 0 68 0 - 6.2-10.1 HD3 PRO 58 - QD2 LEU 123 far 0 63 0 - 9.0-13.2 HD2 PRO 117 - QD2 LEU 123 far 0 96 0 - 9.4-12.3 Violated in 1 structures by 0.00 A. Peak 3946 from cnoeabs.peaks (1.65, 0.88, 25.36 ppm; 3.34 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.3-2.9 3.2=100 HG LEU 62 + QD2 LEU 123 OK 56 100 60 93 3.8-7.4 ~10347=31, 2.1/10348=30...(35) HG LEU 119 - QD2 LEU 123 far 3 63 5 - 4.7-7.9 HB2 LEU 69 - QD2 LEU 123 far 0 85 0 - 5.0-9.2 HD2 LYS 36 - QD2 LEU 123 far 0 83 0 - 7.3-18.1 HD2 LYS 26 - QD2 LEU 123 far 0 97 0 - 7.4-18.9 HD3 LYS 36 - QD2 LEU 123 far 0 83 0 - 8.2-17.7 HD3 LYS 26 - QD2 LEU 123 far 0 99 0 - 8.3-18.9 HG LEU 43 - QD2 LEU 123 far 0 99 0 - 9.2-15.5 HD2 LYS 31 - QD2 LEU 123 far 0 97 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 3947 from cnoeabs.peaks (1.88, 0.88, 25.36 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LEU 123 + QD2 LEU 123 OK 98 98 100 100 2.0-3.2 3.2=100 HB3 LEU 119 - QD2 LEU 123 far 5 100 5 - 4.3-7.1 HB3 LEU 48 - QD2 LEU 123 far 0 87 0 - 6.2-10.7 Violated in 0 structures by 0.00 A. Peak 3948 from cnoeabs.peaks (1.57, 0.88, 25.36 ppm; 3.11 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 49 + QD2 LEU 123 OK 81 100 85 95 3.5-7.4 2.1/3950=28...(46) HB2 LEU 119 - QD2 LEU 123 far 8 78 10 - 3.7-6.2 HB2 LEU 103 - QD2 LEU 123 far 0 97 0 - 6.7-10.7 HG LEU 103 - QD2 LEU 123 far 0 97 0 - 7.1-10.5 HG13 ILE 37 - QD2 LEU 123 far 0 99 0 - 8.0-16.8 HB3 LEU 42 - QD2 LEU 123 far 0 76 0 - 8.8-14.4 Violated in 0 structures by 0.00 A. Peak 3949 from cnoeabs.peaks (0.88, 0.88, 25.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 123 + QD2 LEU 123 OK 100 100 - 100 Peak 3950 from cnoeabs.peaks (0.93, 0.88, 25.36 ppm; 2.50 A): 3 out of 12 assignments used, quality = 1.00: * QD1 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 49 + QD2 LEU 123 OK 69 92 95 79 1.6-4.5 3957=20, 2.1/3948=20...(30) QD1 LEU 62 + QD2 LEU 123 OK 23 93 40 63 3.0-6.7 ~10347=16, 2.1/10348=14...(19) QG1 VAL 126 - QD2 LEU 123 poor 18 60 90 33 2.1-6.1 10393/3.9=8, 4.0/3944=6...(10) QG1 VAL 118 - QD2 LEU 123 far 6 63 10 - 3.6-7.1 QD1 LEU 48 - QD2 LEU 123 far 0 100 0 - 4.0-8.0 QD2 LEU 48 - QD2 LEU 123 far 0 85 0 - 4.4-7.4 QG2 VAL 63 - QD2 LEU 123 far 0 89 0 - 5.0-9.2 QD1 LEU 119 - QD2 LEU 123 far 0 93 0 - 5.1-7.2 QG1 VAL 57 - QD2 LEU 123 far 0 81 0 - 5.1-9.2 QG2 ILE 37 - QD2 LEU 123 far 0 99 0 - 5.7-13.8 QG1 VAL 20 - QD2 LEU 123 far 0 83 0 - 6.3-24.3 Violated in 0 structures by 0.00 A. Peak 3951 from cnoeabs.peaks (7.95, 0.88, 25.36 ppm; 4.99 A): 1 out of 5 assignments used, quality = 1.00: * H SER 124 + QD2 LEU 123 OK 100 100 100 100 3.9-4.5 7765/2.1=91, 7764/3.2=85...(22) H ASP 64 - QD2 LEU 123 far 5 95 5 - 6.3-10.8 HD22 ASN 116 - QD2 LEU 123 far 3 60 5 - 5.6-13.4 H THR 18 - QD2 LEU 123 far 0 65 0 - 9.3-31.1 H ILE 37 - QD2 LEU 123 far 0 81 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 3952 from cnoeabs.peaks (8.26, 0.93, 23.65 ppm; 3.92 A): 2 out of 20 assignments used, quality = 1.00: * H LEU 123 + QD1 LEU 123 OK 100 100 100 100 3.8-4.5 3944/2.1=66, 4.7=59...(19) H LEU 123 + QD1 LEU 49 OK 23 53 50 88 4.3-7.0 3944/3950=22...(21) H ALA 29 - QD2 LEU 48 poor 15 38 40 - 2.3-16.4 H GLU 30 - QD2 LEU 48 far 6 42 15 - 4.5-17.9 H LYS 31 - QD2 LEU 48 far 0 23 0 - 6.2-18.3 H ASP 131 - QD1 LEU 49 far 0 48 0 - 6.3-8.5 H LEU 43 - QD2 LEU 48 far 0 21 0 - 6.5-10.6 H SER 33 - QD2 LEU 48 far 0 22 0 - 6.7-15.9 H ALA 29 - QD1 LEU 49 far 0 48 0 - 6.9-16.8 H ARG 23 - QD2 LEU 48 far 0 36 0 - 7.3-21.1 H ASP 131 - QD1 LEU 123 far 0 97 0 - 7.7-11.5 H LEU 43 - QD1 LEU 49 far 0 27 0 - 7.9-9.7 H LEU 123 - QD2 LEU 48 far 0 43 0 - 8.3-12.3 H GLU 30 - QD1 LEU 49 far 0 53 0 - 8.3-16.6 H LEU 96 - QD1 LEU 49 far 0 44 0 - 8.4-10.0 H LEU 96 - QD1 LEU 123 far 0 92 0 - 8.6-11.1 H GLU 40 - QD2 LEU 48 far 0 29 0 - 9.0-14.3 H LEU 43 - QD1 LEU 123 far 0 63 0 - 9.3-13.7 H ASP 131 - QD2 LEU 48 far 0 38 0 - 9.6-12.9 H ALA 29 - QD1 LEU 123 far 0 97 0 - 9.6-18.4 Violated in 15 structures by 0.18 A. Peak 3953 from cnoeabs.peaks (3.85, 0.93, 23.65 ppm; 3.15 A): 4 out of 17 assignments used, quality = 1.00: * HA LEU 123 + QD1 LEU 123 OK 98 100 100 98 2.6-3.8 4.0=47, 3.0/3954=36...(25) HB2 SER 50 + QD1 LEU 123 OK 46 97 55 86 2.3-5.9 3.0/11874=33, 11698=16...(29) HB2 SER 50 + QD1 LEU 49 OK 43 49 100 89 2.2-3.7 1.8/11339=16, 11698=13...(37) HA LEU 123 + QD1 LEU 49 OK 38 53 95 75 1.8-4.7 3914=21, 3.0/3934=18...(17) HA LEU 62 - QD1 LEU 123 far 10 100 10 - 3.9-10.3 HB2 SER 130 - QD1 LEU 49 poor 6 29 20 - 4.0-6.6 HA LEU 62 - QD2 LEU 48 far 4 43 10 - 3.5-10.1 HA LEU 62 - QD1 LEU 49 far 0 53 0 - 4.8-7.3 HB2 SER 50 - QD2 LEU 48 far 0 39 0 - 6.2-7.4 HA LEU 123 - QD2 LEU 48 far 0 43 0 - 6.6-10.1 HB2 SER 130 - QD1 LEU 123 far 0 68 0 - 6.9-10.0 HB2 SER 130 - QD2 LEU 48 far 0 23 0 - 7.0-10.4 HA GLU 40 - QD2 LEU 48 far 0 41 0 - 7.6-12.8 HD3 PRO 58 - QD1 LEU 123 far 0 63 0 - 8.3-14.8 HD3 PRO 58 - QD2 LEU 48 far 0 21 0 - 8.4-14.6 HB3 SER 33 - QD2 LEU 48 far 0 42 0 - 9.2-17.7 HD2 PRO 117 - QD1 LEU 123 far 0 96 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 3954 from cnoeabs.peaks (1.65, 0.93, 23.65 ppm; 3.17 A): 2 out of 41 assignments used, quality = 0.99: * HB2 LEU 123 + QD1 LEU 123 OK 99 100 100 99 1.9-3.2 3.2=99 HB2 LEU 123 + QD1 LEU 49 OK 36 53 75 91 2.3-6.4 1.8/3934=24, 3.2/3950=21...(44) HG LEU 62 - QD1 LEU 123 poor 20 100 20 - 3.0-9.5 HB2 LEU 69 - QD1 LEU 49 poor 12 39 30 - 3.6-6.4 HG LEU 119 - QD1 LEU 123 far 3 63 5 - 4.6-9.2 HG LEU 62 - QD2 LEU 48 far 2 43 5 - 4.2-12.2 HD3 LYS 26 - QD2 LEU 48 far 2 40 5 - 3.0-23.5 HD3 LYS 24 - QD2 LEU 48 far 2 39 5 - 3.3-22.4 HD2 LYS 26 - QD2 LEU 48 far 2 39 5 - 3.9-23.9 HD2 LYS 24 - QD2 LEU 48 far 2 38 5 - 4.0-23.4 HD2 LYS 36 - QD2 LEU 48 far 0 30 0 - 5.0-15.2 HD2 LYS 19 - QD2 LEU 48 far 0 43 0 - 5.1-28.6 HD2 LYS 31 - QD2 LEU 48 far 0 38 0 - 5.2-21.2 HB2 LEU 69 - QD2 LEU 48 far 0 31 0 - 5.3-9.3 HD3 LYS 36 - QD2 LEU 48 far 0 30 0 - 5.4-14.4 HD3 LYS 31 - QD2 LEU 48 far 0 39 0 - 5.5-20.2 HG LEU 62 - QD1 LEU 49 far 0 53 0 - 5.5-7.8 HD3 LYS 19 - QD2 LEU 48 far 0 43 0 - 6.3-29.8 HB2 LEU 69 - QD1 LEU 123 far 0 85 0 - 6.3-10.5 HG LEU 119 - QD1 LEU 49 far 0 27 0 - 7.0-11.6 HB2 LEU 123 - QD2 LEU 48 far 0 43 0 - 7.3-10.8 HD2 LYS 26 - QD1 LEU 49 far 0 49 0 - 7.4-20.1 HG LEU 43 - QD2 LEU 48 far 0 41 0 - 7.6-11.7 HD2 LYS 36 - QD1 LEU 49 far 0 38 0 - 7.8-15.6 HG3 ARG 23 - QD2 LEU 48 far 0 26 0 - 8.1-23.1 HG LEU 119 - QD2 LEU 48 far 0 21 0 - 8.1-15.3 HD3 LYS 36 - QD1 LEU 49 far 0 38 0 - 8.2-14.9 HD3 LYS 26 - QD1 LEU 49 far 0 50 0 - 8.3-20.1 HG LEU 43 - QD1 LEU 49 far 0 51 0 - 8.4-10.8 HD3 LYS 24 - QD1 LEU 49 far 0 49 0 - 8.6-21.9 HD2 LYS 26 - QD1 LEU 123 far 0 97 0 - 8.6-20.6 HD2 LYS 36 - QD1 LEU 123 far 0 83 0 - 8.9-19.7 HD2 LYS 19 - QD1 LEU 49 far 0 53 0 - 9.2-30.1 HD2 LYS 24 - QD1 LEU 49 far 0 48 0 - 9.3-22.9 HD3 LYS 26 - QD1 LEU 123 far 0 99 0 - 9.4-20.7 HD2 LYS 95 - QD1 LEU 49 far 0 52 0 - 9.5-14.6 HD2 LYS 31 - QD1 LEU 49 far 0 48 0 - 9.6-20.1 HG LEU 43 - QD1 LEU 123 far 0 99 0 - 9.6-14.6 HD3 LYS 36 - QD1 LEU 123 far 0 83 0 - 9.6-19.1 HD3 LYS 31 - QD1 LEU 49 far 0 49 0 - 9.6-19.0 QB ALA 88 - QD1 LEU 49 far 0 48 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 3955 from cnoeabs.peaks (1.88, 0.93, 23.65 ppm; 3.34 A): 3 out of 12 assignments used, quality = 0.99: * HB3 LEU 123 + QD1 LEU 123 OK 98 98 100 100 1.9-3.1 3.2=100 HB3 LEU 48 + QD2 LEU 48 OK 32 32 100 100 2.1-3.2 3.1=100 HB3 LEU 123 + QD1 LEU 49 OK 28 50 60 94 3.0-6.0 3934=27, 3.2/3950=23...(46) HB3 LEU 119 - QD1 LEU 123 far 15 100 15 - 4.4-7.9 HB3 LYS 36 - QD2 LEU 48 far 0 40 0 - 5.2-15.3 HB3 LEU 48 - QD1 LEU 49 far 0 40 0 - 5.4-6.8 HB3 LEU 48 - QD1 LEU 123 far 0 87 0 - 6.4-10.3 HB2 GLU 40 - QD2 LEU 48 far 0 27 0 - 7.2-13.3 HB3 LEU 119 - QD1 LEU 49 far 0 52 0 - 7.2-10.8 HB3 LEU 123 - QD2 LEU 48 far 0 40 0 - 7.6-11.4 HB3 LYS 36 - QD1 LEU 49 far 0 50 0 - 8.3-16.1 HB3 LEU 119 - QD2 LEU 48 far 0 42 0 - 9.1-15.2 Violated in 0 structures by 0.00 A. Peak 3956 from cnoeabs.peaks (1.57, 0.93, 23.65 ppm; 3.04 A): 5 out of 21 assignments used, quality = 1.00: * HG LEU 123 + QD1 LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 49 + QD1 LEU 49 OK 52 52 100 100 2.1-2.1 2.1=100 HG LEU 49 + QD1 LEU 123 OK 37 100 40 94 3.8-6.5 3948/2.1=29, 2.1/3957=17...(45) HG LEU 123 + QD1 LEU 49 OK 36 53 75 90 3.1-5.5 2.1/3950=27, 3.0/3934=16...(35) HG LEU 49 + QD2 LEU 48 OK 31 42 100 75 3.1-4.5 2.1/1578=14, 3.0/1553=10...(31) HB2 LEU 119 - QD1 LEU 123 poor 16 78 20 - 3.1-7.4 HB2 LEU 119 - QD1 LEU 49 far 0 35 0 - 5.9-9.9 HG LEU 123 - QD2 LEU 48 far 0 43 0 - 6.2-9.8 HG2 ARG 23 - QD2 LEU 48 far 0 40 0 - 7.2-23.0 HB3 LEU 42 - QD1 LEU 49 far 0 34 0 - 7.3-10.2 HB3 LEU 42 - QD2 LEU 48 far 0 27 0 - 7.8-11.8 HB2 LEU 22 - QD2 LEU 48 far 0 27 0 - 8.0-24.1 HG13 ILE 37 - QD2 LEU 48 far 0 41 0 - 8.0-15.6 HB2 LEU 119 - QD2 LEU 48 far 0 28 0 - 8.1-14.0 HG LEU 103 - QD1 LEU 123 far 0 97 0 - 8.2-12.1 HB3 LEU 42 - QD1 LEU 123 far 0 76 0 - 8.6-13.4 HG13 ILE 37 - QD1 LEU 49 far 0 52 0 - 9.1-15.1 HB2 LEU 103 - QD1 LEU 123 far 0 97 0 - 9.1-12.1 HG LEU 103 - QD1 LEU 49 far 0 48 0 - 9.4-12.7 HB2 LEU 103 - QD1 LEU 49 far 0 49 0 - 9.4-13.2 HG LEU 103 - QD2 LEU 48 far 0 38 0 - 9.8-17.1 Violated in 0 structures by 0.00 A. Peak 3957 from cnoeabs.peaks (0.88, 0.93, 23.65 ppm; 2.50 A): 3 out of 35 assignments used, quality = 1.00: * QD2 LEU 123 + QD1 LEU 123 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 49 + QD1 LEU 123 OK 46 63 100 74 1.7-3.8 2.1/3956=9, ~3948=8...(32) QD2 LEU 123 + QD1 LEU 49 OK 43 53 95 85 1.6-4.5 3950=37, 3948/2.1=20...(31) QD2 LEU 69 - QD1 LEU 49 poor 20 44 70 65 1.8-5.5 11061/2.1=25...(18) QG2 VAL 57 - QD1 LEU 123 poor 20 78 25 - 3.2-8.6 QD1 LEU 62 - QD1 LEU 123 far 6 60 10 - 2.1-8.0 QG1 VAL 20 - QD2 LEU 48 far 0 27 0 - 4.0-20.0 QD2 LEU 69 - QD2 LEU 48 far 0 35 0 - 4.1-7.2 QG2 VAL 20 - QD2 LEU 48 far 0 41 0 - 4.1-20.7 QD1 LEU 49 - QD2 LEU 48 far 0 21 0 - 4.2-5.5 QD2 LEU 48 - QD1 LEU 49 far 0 32 0 - 4.2-5.5 QD2 LEU 123 - QD2 LEU 48 far 0 43 0 - 4.4-7.4 QD2 LEU 70 - QD1 LEU 49 far 0 27 0 - 4.5-9.2 QG2 VAL 57 - QD2 LEU 48 far 0 28 0 - 4.5-9.7 QD2 LEU 48 - QD1 LEU 123 far 0 73 0 - 4.6-8.4 QD2 LEU 69 - QD1 LEU 123 far 0 92 0 - 5.0-8.6 QG2 VAL 57 - QD1 LEU 49 far 0 35 0 - 5.1-7.5 QG1 VAL 118 - QD1 LEU 123 far 0 92 0 - 5.1-8.3 QD1 LEU 62 - QD1 LEU 49 far 0 25 0 - 5.3-7.2 QG1 VAL 118 - QD1 LEU 49 far 0 44 0 - 5.5-9.2 QG1 VAL 20 - QD1 LEU 49 far 0 34 0 - 5.5-22.8 QD2 LEU 70 - QD1 LEU 123 far 0 63 0 - 6.0-9.8 QG2 VAL 63 - QD1 LEU 123 far 0 68 0 - 6.3-11.0 QG2 VAL 20 - QD1 LEU 49 far 0 51 0 - 6.5-20.8 QD1 LEU 22 - QD2 LEU 48 far 0 39 0 - 6.5-21.6 QD2 LEU 70 - QD2 LEU 48 far 0 21 0 - 7.0-11.9 QG2 VAL 63 - QD1 LEU 49 far 0 29 0 - 7.3-9.0 QG2 VAL 63 - QD2 LEU 48 far 0 23 0 - 7.4-12.4 QG1 VAL 118 - QD2 LEU 48 far 0 35 0 - 7.7-13.1 QG1 VAL 20 - QD1 LEU 123 far 0 76 0 - 7.9-25.9 QD2 LEU 98 - QD1 LEU 49 far 0 50 0 - 8.4-12.4 QD2 LEU 98 - QD1 LEU 123 far 0 99 0 - 8.6-12.7 QG2 VAL 20 - QD1 LEU 123 far 0 99 0 - 9.4-24.0 QD1 LEU 98 - QD1 LEU 49 far 0 35 0 - 9.8-13.1 QD1 LEU 98 - QD1 LEU 123 far 0 78 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 3958 from cnoeabs.peaks (0.93, 0.93, 23.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 123 + QD1 LEU 123 OK 100 100 - 100 QD1 LEU 49 + QD1 LEU 49 OK 44 44 - 100 QD2 LEU 48 + QD2 LEU 48 OK 31 31 - 100 Peak 3959 from cnoeabs.peaks (7.95, 0.93, 23.65 ppm; 4.61 A): 2 out of 11 assignments used, quality = 1.00: * H SER 124 + QD1 LEU 123 OK 100 100 100 100 2.8-4.6 7765/2.1=83, 7764/3.2=77...(21) H SER 124 + QD1 LEU 49 OK 32 53 75 81 4.6-7.3 7764/3934=26...(10) H THR 18 - QD2 LEU 48 far 1 22 5 - 5.9-25.2 HD22 ASN 116 - QD1 LEU 123 far 0 60 0 - 6.2-14.5 H ASP 64 - QD2 LEU 48 far 0 37 0 - 6.7-12.1 H ASP 64 - QD1 LEU 123 far 0 95 0 - 7.6-13.3 H ILE 37 - QD2 LEU 48 far 0 29 0 - 7.9-14.0 H ASP 64 - QD1 LEU 49 far 0 46 0 - 8.0-9.7 HD22 ASN 116 - QD1 LEU 49 far 0 25 0 - 8.4-16.9 H THR 18 - QD1 LEU 49 far 0 28 0 - 9.1-29.3 H SER 124 - QD2 LEU 48 far 0 43 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 3960 from cnoeabs.peaks (7.95, 4.24, 61.64 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + HA SER 124 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3961 from cnoeabs.peaks (4.24, 4.24, 61.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 124 + HA SER 124 OK 100 100 - 100 HA SER 94 + HA SER 94 OK 93 93 - 100 Peak 3962 from cnoeabs.peaks (4.00, 4.24, 61.64 ppm; 3.69 A): 3 out of 8 assignments used, quality = 1.00: * HB2 SER 124 + HA SER 124 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 94 + HA SER 94 OK 68 68 100 100 3.0-3.0 3.0=100 HA LYS 95 + HA SER 94 OK 51 66 100 78 4.6-4.7 4.9=43, 3.6/7313=21...(12) HA SER 50 - HA SER 124 far 15 100 15 - 4.5-8.1 HA GLU 91 - HA SER 94 far 0 84 0 - 5.4-6.1 HA GLN 127 - HA SER 124 far 0 68 0 - 5.4-6.0 HB3 SER 99 - HA SER 94 far 0 91 0 - 7.9-10.5 HB3 SER 99 - HA SER 124 far 0 97 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 3963 from cnoeabs.peaks (4.03, 4.24, 61.64 ppm; 3.78 A): 2 out of 11 assignments used, quality = 1.00: * HB3 SER 124 + HA SER 124 OK 100 100 100 100 2.7-3.0 3.0=100 HA LYS 95 + HA SER 94 OK 78 91 100 85 4.6-4.7 4.9=47, 3.6/7313=22...(14) HA LEU 122 - HA SER 124 far 0 83 0 - 6.3-7.0 HA ALA 92 - HA SER 94 far 0 79 0 - 6.3-6.9 HA LEU 96 - HA SER 94 far 0 89 0 - 6.6-7.2 HA LEU 96 - HA SER 124 far 0 96 0 - 7.1-9.0 HA LEU 119 - HA SER 124 far 0 100 0 - 7.6-9.8 HA LEU 122 - HA SER 94 far 0 75 0 - 7.9-9.5 HB3 SER 99 - HA SER 94 far 0 66 0 - 7.9-10.5 HA ALA 92 - HA SER 124 far 0 87 0 - 8.0-11.2 HB3 SER 99 - HA SER 124 far 0 73 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 3964 from cnoeabs.peaks (8.04, 4.24, 61.64 ppm; 5.00 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 125 + HA SER 124 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 130 - HA SER 124 far 0 99 0 - 7.9-8.5 H ALA 52 - HA SER 124 far 0 92 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. Peak 3965 from cnoeabs.peaks (8.20, 4.24, 61.64 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 127 + HA SER 124 OK 100 100 100 100 3.5-4.2 7813/3966=60, 7804=59...(15) H LEU 122 - HA SER 124 far 0 93 0 - 6.8-7.3 H LEU 122 - HA SER 94 far 0 86 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3966 from cnoeabs.peaks (2.06, 4.24, 61.64 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 127 + HA SER 124 OK 100 100 100 100 2.5-4.7 4039=100, 1.8/4049=79...(16) HB2 GLU 128 - HA SER 124 far 11 73 15 - 4.4-7.2 HB3 GLN 27 - HA SER 94 far 5 95 5 - 5.6-28.7 HB3 GLU 91 - HA SER 94 far 0 66 0 - 7.4-8.3 HB2 LEU 62 - HA SER 124 far 0 100 0 - 9.7-16.0 Violated in 5 structures by 0.08 A. Peak 3967 from cnoeabs.peaks (2.23, 4.24, 61.64 ppm; 4.10 A): 3 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HA SER 124 OK 100 100 100 100 3.0-4.7 4049=97, 1.8/3966=80...(14) HB3 GLU 128 + HA SER 124 OK 78 100 90 86 4.1-7.2 3.6/7838=34, 3125=27...(11) HB3 GLU 97 + HA SER 94 OK 63 91 70 99 4.5-6.3 1.8/3117=81...(14) HB3 LEU 96 - HA SER 94 far 9 91 10 - 5.6-7.3 HB2 GLN 101 - HA SER 94 far 0 75 0 - 7.0-8.9 HG2 GLU 91 - HA SER 94 far 0 96 0 - 7.0-7.9 HB3 LEU 96 - HA SER 124 far 0 97 0 - 7.7-9.0 HB3 GLU 102 - HA SER 94 far 0 95 0 - 9.9-13.1 Violated in 2 structures by 0.02 A. Peak 3968 from cnoeabs.peaks (4.49, 4.00, 62.56 ppm; 4.35 A): 1 out of 7 assignments used, quality = 0.95: * HA ASN 121 + HB2 SER 124 OK 95 100 100 95 3.8-4.4 3837=59, 7758/7769=54...(11) HB THR 54 - HA SER 50 far 11 73 15 - 3.8-8.9 HB THR 54 - HB3 SER 51 far 0 50 0 - 6.1-8.8 HB THR 54 - HB2 SER 124 far 0 73 0 - 8.4-15.0 HA SER 106 - HA VAL 20 far 0 51 0 - 8.5-43.5 HB THR 54 - HA VAL 20 far 0 63 0 - 8.6-36.6 HA ASN 121 - HA SER 50 far 0 100 0 - 10.0-12.2 Violated in 1 structures by 0.00 A. Peak 3969 from cnoeabs.peaks (7.95, 4.00, 62.56 ppm; 4.02 A): 1 out of 8 assignments used, quality = 1.00: * H SER 124 + HB2 SER 124 OK 100 100 100 100 2.8-3.3 4.0=100 H THR 18 - HA VAL 20 far 6 56 10 - 5.1-8.4 H THR 18 - HB3 SER 51 far 2 44 5 - 3.7-35.3 H SER 124 - HA SER 50 far 0 100 0 - 6.2-8.4 H THR 18 - HA SER 50 far 0 65 0 - 9.0-36.6 HD22 ASN 116 - HA SER 50 far 0 59 0 - 9.5-21.6 H VAL 112 - HA VAL 20 far 0 87 0 - 9.6-43.3 H ILE 37 - HA VAL 20 far 0 70 0 - 9.6-28.0 Violated in 0 structures by 0.00 A. Peak 3970 from cnoeabs.peaks (4.24, 4.00, 62.56 ppm; 3.68 A): 4 out of 24 assignments used, quality = 1.00: * HA SER 124 + HB2 SER 124 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 51 + HA SER 50 OK 65 73 100 89 4.6-4.7 4.9=42, 3.6/6650=16...(18) HA LYS 19 + HA VAL 20 OK 56 58 100 97 4.5-4.9 6160/3.0=35...(20) HA SER 51 + HB3 SER 51 OK 50 50 100 100 2.7-3.0 2.9=100 HA SER 124 - HA SER 50 far 15 100 15 - 4.5-8.1 HA ALA 28 - HA VAL 20 far 5 92 5 - 2.3-19.2 HA LYS 26 - HA VAL 20 far 3 53 5 - 4.8-15.9 HA LYS 26 - HB3 SER 51 far 2 42 5 - 4.6-29.2 HA LEU 22 - HA VAL 20 far 0 56 0 - 5.5-7.1 HA GLN 27 - HB3 SER 51 far 0 77 0 - 6.0-28.3 HA LYS 19 - HB3 SER 51 far 0 46 0 - 6.2-37.9 HA GLN 27 - HA VAL 20 far 0 92 0 - 6.9-17.6 HB3 SER 38 - HA VAL 20 far 0 76 0 - 6.9-31.9 HA ALA 28 - HB3 SER 51 far 0 77 0 - 7.1-26.2 HA ALA 29 - HA VAL 20 far 0 86 0 - 7.3-18.3 HA GLN 27 - HA SER 50 far 0 100 0 - 8.2-27.2 HA SER 51 - HA VAL 20 far 0 63 0 - 8.3-35.2 HA LEU 22 - HB3 SER 51 far 0 44 0 - 8.7-31.5 HA GLU 30 - HA VAL 20 far 0 81 0 - 8.7-20.5 HA ALA 28 - HA SER 50 far 0 100 0 - 9.1-24.6 HA ALA 29 - HB3 SER 51 far 0 70 0 - 9.3-24.5 HA LYS 26 - HA SER 50 far 0 62 0 - 9.5-26.5 HA ALA 29 - HA SER 50 far 0 95 0 - 9.7-21.5 HA SER 51 - HB2 SER 124 far 0 73 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 3971 from cnoeabs.peaks (4.00, 4.00, 62.56 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 SER 124 + HB2 SER 124 OK 100 100 - 100 HA SER 50 + HA SER 50 OK 100 100 - 100 HA VAL 20 + HA VAL 20 OK 92 92 - 100 HB3 SER 51 + HB3 SER 51 OK 67 67 - 100 Peak 3972 from cnoeabs.peaks (4.03, 4.00, 62.56 ppm; 2.50 A): 1 out of 16 assignments used, quality = 1.00: * HB3 SER 124 + HB2 SER 124 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 122 - HB2 SER 124 far 0 83 0 - 5.4-6.9 HA LEU 119 - HA SER 50 far 0 100 0 - 6.0-12.8 HA LEU 96 - HB2 SER 124 far 0 96 0 - 6.2-8.3 HA ALA 92 - HB2 SER 124 far 0 87 0 - 6.5-12.0 HB3 SER 124 - HA SER 50 far 0 100 0 - 6.7-9.8 HA GLU 44 - HB3 SER 51 far 0 59 0 - 7.7-10.1 HA LEU 119 - HB2 SER 124 far 0 100 0 - 7.8-9.6 HB2 SER 38 - HA VAL 20 far 0 81 0 - 7.8-32.2 HB3 SER 99 - HB2 SER 124 far 0 73 0 - 8.0-9.4 HA ILE 37 - HA VAL 20 far 0 89 0 - 8.4-29.2 HA LYS 95 - HB2 SER 124 far 0 97 0 - 8.7-11.7 HA GLU 102 - HA VAL 20 far 0 70 0 - 8.9-39.2 HA SER 60 - HA VAL 20 far 0 72 0 - 9.3-31.5 HA LEU 122 - HA SER 50 far 0 82 0 - 9.3-10.9 HA GLU 44 - HA SER 50 far 0 84 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 3973 from cnoeabs.peaks (8.04, 4.00, 62.56 ppm; 3.77 A): 4 out of 17 assignments used, quality = 1.00: * H CYS 125 + HB2 SER 124 OK 98 100 100 98 2.5-4.1 7780=73, 3.4/7769=55...(15) H ALA 52 + HA SER 50 OK 85 91 100 93 4.0-4.6 6645/2.9=31, 6650=23...(21) H VAL 20 + HA VAL 20 OK 72 72 100 100 2.7-2.9 3.0=100 H ALA 52 + HB3 SER 51 OK 65 66 100 99 2.7-3.6 1620/1.8=60, 4.6=54...(17) H VAL 20 - HB3 SER 51 far 3 57 5 - 4.3-34.6 H LEU 48 - HB3 SER 51 far 0 77 0 - 5.3-6.1 H ALA 16 - HB3 SER 51 far 0 69 0 - 5.4-36.1 H ALA 16 - HA VAL 20 far 0 84 0 - 5.9-12.2 H LEU 48 - HA SER 50 far 0 100 0 - 6.6-6.8 H LEU 48 - HA VAL 20 far 0 93 0 - 6.6-31.4 H ALA 52 - HA VAL 20 far 0 81 0 - 7.0-31.8 H CYS 125 - HA SER 50 far 0 100 0 - 7.6-9.3 H SER 130 - HA SER 50 far 0 98 0 - 7.8-10.8 H VAL 20 - HA SER 50 far 0 82 0 - 9.1-33.8 H SER 130 - HB2 SER 124 far 0 99 0 - 9.4-10.5 H ALA 16 - HA SER 50 far 0 94 0 - 9.8-37.0 H ALA 52 - HB2 SER 124 far 0 92 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3974 from cnoeabs.peaks (4.49, 4.03, 62.56 ppm; 4.25 A): 1 out of 2 assignments used, quality = 0.96: * HA ASN 121 + HB3 SER 124 OK 96 100 100 96 2.5-4.0 7758/3975=51, 3838=47...(13) HB THR 54 - HB3 SER 124 far 0 73 0 - 7.5-13.6 Violated in 0 structures by 0.00 A. Peak 3975 from cnoeabs.peaks (7.95, 4.03, 62.56 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.99: * H SER 124 + HB3 SER 124 OK 99 100 100 99 2.1-2.3 4.0=78, 7769/1.8=76...(19) HD22 ASN 116 - HB3 SER 124 far 0 60 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 3976 from cnoeabs.peaks (4.24, 4.03, 62.56 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 124 + HB3 SER 124 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 99 - HB3 SER 124 far 0 76 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 3977 from cnoeabs.peaks (4.00, 4.03, 62.56 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 124 + HB3 SER 124 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 50 - HB3 SER 124 far 0 100 0 - 6.7-9.8 HB3 SER 99 - HB3 SER 124 far 0 97 0 - 6.9-9.0 HA GLN 127 - HB3 SER 124 far 0 68 0 - 8.0-8.4 HA LYS 95 - HB3 SER 124 far 0 73 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 3978 from cnoeabs.peaks (4.03, 4.03, 62.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 124 + HB3 SER 124 OK 100 100 - 100 Peak 3979 from cnoeabs.peaks (8.04, 4.03, 62.56 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 125 + HB3 SER 124 OK 100 100 100 100 2.5-3.5 4.5=76, 7780/1.8=75...(23) H ALA 52 - HB3 SER 124 far 0 92 0 - 9.7-13.7 H SER 130 - HB3 SER 124 far 0 99 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 3980 from cnoeabs.peaks (8.04, 4.35, 62.64 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 125 + HA CYS 125 OK 100 100 100 100 2.8-2.9 2.9=100 H SER 130 - HA CYS 125 far 0 99 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 3981 from cnoeabs.peaks (4.35, 4.35, 62.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 125 + HA CYS 125 OK 100 100 - 100 Peak 3982 from cnoeabs.peaks (2.74, 4.35, 62.64 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + HA CYS 125 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 CYS 73 - HA CYS 125 far 0 96 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 3983 from cnoeabs.peaks (3.21, 4.35, 62.64 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HA CYS 125 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3984 from cnoeabs.peaks (8.29, 4.35, 62.64 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 126 + HA CYS 125 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 96 + HA CYS 125 OK 67 90 75 99 5.1-6.3 9982/10379=29...(34) H ASP 131 - HA CYS 125 far 0 83 0 - 7.5-8.1 H SER 99 - HA CYS 125 far 0 100 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 3985 from cnoeabs.peaks (7.88, 4.35, 62.64 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA CYS 125 OK 100 100 100 100 3.4-3.8 7839=100, 3.6/3986=68...(21) H ALA 88 - HA CYS 125 far 0 65 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 3986 from cnoeabs.peaks (2.08, 4.35, 62.64 ppm; 4.02 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 128 + HA CYS 125 OK 100 100 100 100 2.7-4.5 4087=93, 3.0/11698=55...(16) HB2 GLN 127 + HA CYS 125 OK 48 73 75 88 5.0-7.0 4.7/7839=39...(14) HB VAL 126 - HA CYS 125 far 0 73 0 - 5.7-6.7 HG3 GLU 91 - HA CYS 125 far 0 63 0 - 5.7-10.5 Violated in 7 structures by 0.06 A. Peak 3987 from cnoeabs.peaks (2.22, 4.35, 62.64 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HA CYS 125 OK 100 100 100 100 2.5-4.3 1.8/3986=83, 4095=59...(26) HB3 LEU 96 + HA CYS 125 OK 53 97 55 100 4.4-6.8 ~9987=26, 3.2/10378=26...(46) HB3 GLN 127 - HA CYS 125 far 10 100 10 - 5.0-7.1 HG2 GLU 91 - HA CYS 125 far 0 100 0 - 5.8-10.8 Violated in 1 structures by 0.01 A. Peak 3988 from cnoeabs.peaks (4.05, 2.74, 27.12 ppm; 4.22 A): 3 out of 8 assignments used, quality = 1.00: HA LEU 96 + HB2 CYS 125 OK 98 99 100 99 1.9-4.2 11689/11684=39...(33) HA ALA 92 + HB2 CYS 125 OK 98 100 100 98 2.0-5.5 11395=44, 2.1/11396=38...(21) * HA LEU 122 + HB2 CYS 125 OK 98 100 100 98 2.2-4.7 3.0/11653=43...(25) HB3 SER 124 - HB2 CYS 125 poor 20 83 30 79 5.0-6.9 4.5/7783=48, ~11589=23...(12) HA LEU 119 - HB2 CYS 125 far 0 73 0 - 7.9-11.0 HB3 SER 74 - HB2 CYS 125 far 0 85 0 - 8.6-12.7 HB2 SER 74 - HB2 CYS 125 far 0 87 0 - 9.1-11.4 HB THR 65 - HB2 CYS 125 far 0 90 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 3989 from cnoeabs.peaks (8.04, 2.74, 27.12 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 125 + HB2 CYS 125 OK 100 100 100 100 2.3-3.6 3.9=100 H SER 130 - HB2 CYS 125 far 0 99 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 3990 from cnoeabs.peaks (4.35, 2.74, 27.12 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 125 + HB2 CYS 125 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 69 - HB2 CYS 125 far 0 73 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 3991 from cnoeabs.peaks (2.74, 2.74, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 125 + HB2 CYS 125 OK 100 100 - 100 Peak 3992 from cnoeabs.peaks (3.21, 2.74, 27.12 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HB2 CYS 125 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3993 from cnoeabs.peaks (8.29, 2.74, 27.12 ppm; 4.66 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 126 + HB2 CYS 125 OK 100 100 100 100 2.2-3.5 4.7=100 H LEU 96 + HB2 CYS 125 OK 90 90 100 99 2.8-4.1 9982/10383=43...(28) H SER 99 - HB2 CYS 125 far 10 100 10 - 5.9-7.8 H ASP 131 - HB2 CYS 125 far 0 83 0 - 8.9-9.8 H LEU 69 - HB2 CYS 125 far 0 99 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 3994 from cnoeabs.peaks (4.05, 3.21, 27.12 ppm; 4.13 A): 3 out of 7 assignments used, quality = 1.00: HA LEU 96 + HB3 CYS 125 OK 98 99 100 100 1.9-4.7 4.0/9987=50...(32) * HA LEU 122 + HB3 CYS 125 OK 97 100 100 97 2.2-5.0 3865=36, ~11653=31...(25) HA ALA 92 + HB3 CYS 125 OK 88 100 90 98 2.3-6.6 11395/1.8=42, ~10376=34...(24) HB3 SER 124 - HB3 CYS 125 poor 19 83 30 76 4.6-6.8 4.5/7784=45, ~11589=22...(10) HB2 SER 74 - HB3 CYS 125 far 0 87 0 - 8.3-12.0 HA LEU 119 - HB3 CYS 125 far 0 73 0 - 8.3-11.1 HB3 SER 74 - HB3 CYS 125 far 0 85 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3995 from cnoeabs.peaks (8.04, 3.21, 27.12 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 125 + HB3 CYS 125 OK 100 100 100 100 2.3-3.6 3.9=100 H SER 130 - HB3 CYS 125 far 0 99 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 3996 from cnoeabs.peaks (4.35, 3.21, 27.12 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 125 + HB3 CYS 125 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 69 - HB3 CYS 125 far 0 73 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3997 from cnoeabs.peaks (2.74, 3.21, 27.12 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + HB3 CYS 125 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 CYS 73 - HB3 CYS 125 far 0 96 0 - 6.2-10.2 Violated in 0 structures by 0.00 A. Peak 3998 from cnoeabs.peaks (3.21, 3.21, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HB3 CYS 125 OK 100 100 - 100 Peak 3999 from cnoeabs.peaks (8.29, 3.21, 27.12 ppm; 4.49 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 126 + HB3 CYS 125 OK 100 100 100 100 2.2-3.6 7795=91, 7792/7784=68...(24) H LEU 96 + HB3 CYS 125 OK 90 90 100 100 2.7-4.5 4.6/9987=50...(31) H SER 99 - HB3 CYS 125 poor 15 100 25 58 5.7-7.8 3083/11827=10...(16) H ASP 131 - HB3 CYS 125 far 0 83 0 - 8.9-10.1 H LEU 69 - HB3 CYS 125 far 0 99 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 4000 from cnoeabs.peaks (8.29, 3.43, 67.09 ppm; 4.32 A): 2 out of 7 assignments used, quality = 1.00: * H VAL 126 + HA VAL 126 OK 100 100 100 100 2.7-2.8 2.9=100 H LEU 96 + HA VAL 126 OK 62 90 70 97 4.7-7.3 9982/10402=43...(26) H ASP 131 - HA VAL 126 far 0 83 0 - 6.3-7.2 H LEU 69 - HA VAL 126 far 0 99 0 - 6.6-9.1 H LEU 49 - HA VAL 126 far 0 96 0 - 8.2-10.9 H SER 99 - HA VAL 126 far 0 100 0 - 8.5-11.0 H LEU 43 - HA VAL 126 far 0 100 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 4001 from cnoeabs.peaks (3.43, 3.43, 67.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 126 + HA VAL 126 OK 100 100 - 100 Peak 4002 from cnoeabs.peaks (2.10, 3.43, 67.09 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 126 + HA VAL 126 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 128 - HA VAL 126 poor 18 73 25 - 5.1-7.3 HG3 GLU 91 - HA VAL 126 far 0 100 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 4003 from cnoeabs.peaks (0.96, 3.43, 67.09 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 126 + HA VAL 126 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 VAL 126 + HA VAL 126 OK 99 99 100 100 2.1-3.2 3.2=100 QD1 LEU 123 - HA VAL 126 far 0 60 0 - 5.9-8.7 QG2 ILE 37 - HA VAL 126 far 0 81 0 - 6.8-12.5 QD2 LEU 53 - HA VAL 126 far 0 97 0 - 7.2-10.6 Violated in 0 structures by 0.00 A. Peak 4004 from cnoeabs.peaks (0.96, 3.43, 67.09 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 126 + HA VAL 126 OK 100 100 100 100 2.1-3.2 3.2=100 QG1 VAL 126 + HA VAL 126 OK 99 99 100 100 2.2-3.2 3.2=100 QG2 ILE 37 - HA VAL 126 far 0 63 0 - 6.8-12.5 QD2 LEU 53 - HA VAL 126 far 0 100 0 - 7.2-10.6 Violated in 0 structures by 0.00 A. Peak 4005 from cnoeabs.peaks (8.20, 3.43, 67.09 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA VAL 126 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 122 - HA VAL 126 far 0 93 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 4006 from cnoeabs.peaks (8.00, 3.43, 67.09 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HA VAL 126 OK 100 100 100 100 3.4-3.8 7873/10402=66...(24) H SER 94 - HA VAL 126 far 0 97 0 - 7.0-8.6 Violated in 0 structures by 0.00 A. Peak 4007 from cnoeabs.peaks (2.00, 3.43, 67.09 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 129 + HA VAL 126 OK 100 100 100 100 2.4-3.7 3.2/10402=66...(27) HB3 LEU 53 - HA VAL 126 far 0 98 0 - 8.9-11.3 HB2 GLU 91 - HA VAL 126 far 0 99 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 4008 from cnoeabs.peaks (3.85, 2.10, 31.38 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 123 + HB VAL 126 OK 100 100 100 100 2.8-4.8 3917=88, 10393/2.1=77...(20) HB2 SER 130 - HB VAL 126 poor 19 68 40 70 4.3-8.4 ~11745=30, 11669/3.0=23...(10) HB2 SER 50 - HB VAL 126 far 0 97 0 - 6.2-9.6 HA LEU 62 - HB VAL 126 far 0 100 0 - 8.6-11.2 Violated in 8 structures by 0.13 A. Peak 4009 from cnoeabs.peaks (8.29, 2.10, 31.38 ppm; 4.00 A): 2 out of 7 assignments used, quality = 1.00: * H VAL 126 + HB VAL 126 OK 100 100 100 100 2.3-3.6 3.7=100 H LEU 96 + HB VAL 126 OK 24 90 30 87 4.9-9.2 ~11689=37, 9982/11714=24...(14) H LEU 69 - HB VAL 126 far 10 99 10 - 4.9-8.7 H LEU 49 - HB VAL 126 far 0 96 0 - 5.8-10.0 H ASP 131 - HB VAL 126 far 0 83 0 - 7.0-9.2 H SER 99 - HB VAL 126 far 0 100 0 - 7.3-12.2 H LEU 43 - HB VAL 126 far 0 100 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 4010 from cnoeabs.peaks (3.43, 2.10, 31.38 ppm; 4.90 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 126 + HB VAL 126 OK 100 100 100 100 2.3-3.0 3.0=100 HA ILE 129 - HB VAL 126 far 0 63 0 - 7.0-8.4 HB3 HIS 67 - HB VAL 126 far 0 63 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 4011 from cnoeabs.peaks (2.10, 2.10, 31.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 126 + HB VAL 126 OK 100 100 - 100 Peak 4012 from cnoeabs.peaks (0.96, 2.10, 31.38 ppm; 3.12 A): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 126 + HB VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 126 + HB VAL 126 OK 99 99 100 100 2.1-2.1 2.1=100 QD1 LEU 123 - HB VAL 126 far 0 60 0 - 4.7-7.0 QG2 ILE 37 - HB VAL 126 far 0 81 0 - 5.1-13.0 QD2 LEU 53 - HB VAL 126 far 0 97 0 - 5.7-9.9 QD1 LEU 119 - HB VAL 126 far 0 92 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 4013 from cnoeabs.peaks (0.96, 2.10, 31.38 ppm; 3.52 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 126 + HB VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 126 + HB VAL 126 OK 99 99 100 100 2.1-2.1 2.1=100 QG2 ILE 37 - HB VAL 126 far 0 63 0 - 5.1-13.0 QD2 LEU 53 - HB VAL 126 far 0 100 0 - 5.7-9.9 QD1 LEU 119 - HB VAL 126 far 0 78 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 4014 from cnoeabs.peaks (8.20, 2.10, 31.38 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 127 + HB VAL 126 OK 100 100 100 100 2.8-4.0 7809=100, 3.5/7797=66...(22) H LEU 122 - HB VAL 126 far 0 93 0 - 6.2-8.9 H VAL 63 - HB VAL 126 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 4015 from cnoeabs.peaks (8.29, 0.96, 22.68 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: * H VAL 126 + QG1 VAL 126 OK 100 100 100 100 1.8-3.8 4.0=85, 4021/2.1=73...(24) H LEU 96 + QG1 VAL 126 OK 24 90 30 88 4.4-7.0 ~11689=32, 9982/10410=20...(17) H LEU 69 - QG1 VAL 126 poor 14 99 30 46 3.6-7.6 3.6/11665=16...(7) H LEU 49 - QG1 VAL 126 far 5 96 5 - 4.8-8.9 H SER 99 - QG1 VAL 126 far 0 100 0 - 6.0-8.9 H ASP 131 - QG1 VAL 126 far 0 83 0 - 6.3-8.0 H LEU 43 - QG1 VAL 126 far 0 100 0 - 7.4-10.7 Violated in 0 structures by 0.00 A. Peak 4016 from cnoeabs.peaks (3.43, 0.96, 22.68 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 126 + QG1 VAL 126 OK 100 100 100 100 2.2-3.2 3.2=100 HA ILE 129 - QG1 VAL 126 far 0 63 0 - 6.0-7.3 HB3 HIS 67 - QG1 VAL 126 far 0 63 0 - 6.1-9.6 HA VAL 77 - QG1 VAL 126 far 0 93 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 4017 from cnoeabs.peaks (2.10, 0.96, 22.68 ppm; 3.15 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 126 + QG1 VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 128 - QG1 VAL 126 far 0 73 0 - 5.6-8.0 HG3 GLU 91 - QG1 VAL 126 far 0 100 0 - 9.0-12.9 HG3 GLN 134 - QG1 VAL 126 far 0 76 0 - 9.1-11.8 HB3 GLU 44 - QG1 VAL 126 far 0 65 0 - 9.2-12.8 HB2 GLN 61 - QG1 VAL 126 far 0 99 0 - 9.6-12.1 HB VAL 57 - QG1 VAL 126 far 0 92 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 4018 from cnoeabs.peaks (0.96, 0.96, 22.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 126 + QG1 VAL 126 OK 100 100 - 100 Peak 4019 from cnoeabs.peaks (0.96, 0.96, 22.68 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 126 + QG1 VAL 126 OK 99 99 - 100 Reference assignment not found: QG2 VAL 126 - QG1 VAL 126 Peak 4020 from cnoeabs.peaks (8.20, 0.96, 22.68 ppm; 4.11 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 127 + QG1 VAL 126 OK 100 100 100 100 1.7-4.1 4.3=85, 7809/2.1=79...(27) H LEU 122 + QG1 VAL 126 OK 53 93 60 95 4.9-7.9 11749=37, 3.3/4015=27...(22) H VAL 63 - QG1 VAL 126 far 0 100 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 4021 from cnoeabs.peaks (8.29, 0.96, 23.84 ppm; 3.29 A): 1 out of 7 assignments used, quality = 0.98: * H VAL 126 + QG2 VAL 126 OK 98 100 100 98 1.8-3.8 4.0=57, 7797/2.1=56...(23) H LEU 69 - QG2 VAL 126 poor 9 99 25 38 3.8-7.1 2.9/11688=10...(8) H LEU 49 - QG2 VAL 126 far 0 96 0 - 4.8-7.0 H LEU 96 - QG2 VAL 126 far 0 90 0 - 4.9-7.7 H ASP 131 - QG2 VAL 126 far 0 83 0 - 6.0-7.9 H SER 99 - QG2 VAL 126 far 0 100 0 - 6.4-9.8 H LEU 43 - QG2 VAL 126 far 0 100 0 - 7.1-10.0 Violated in 11 structures by 0.24 A. Peak 4022 from cnoeabs.peaks (3.43, 0.96, 23.84 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 126 + QG2 VAL 126 OK 100 100 100 100 2.1-3.2 3.2=100 HA ILE 129 - QG2 VAL 126 far 0 63 0 - 6.1-7.2 HB3 HIS 67 - QG2 VAL 126 far 0 63 0 - 6.6-9.7 HA VAL 77 - QG2 VAL 126 far 0 93 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 4023 from cnoeabs.peaks (2.10, 0.96, 23.84 ppm; 3.25 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 126 + QG2 VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 128 - QG2 VAL 126 far 0 73 0 - 6.3-7.9 HG3 GLN 134 - QG2 VAL 126 far 0 76 0 - 8.8-11.4 HB3 GLU 44 - QG2 VAL 126 far 0 65 0 - 9.0-11.6 HB VAL 57 - QG2 VAL 126 far 0 92 0 - 9.2-12.9 HB2 GLN 61 - QG2 VAL 126 far 0 99 0 - 9.3-12.5 HG3 GLU 91 - QG2 VAL 126 far 0 100 0 - 9.5-12.4 HB3 LYS 39 - QG2 VAL 126 far 0 68 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 4024 from cnoeabs.peaks (0.96, 0.96, 23.84 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 126 + QG2 VAL 126 OK 99 99 - 100 Reference assignment not found: QG1 VAL 126 - QG2 VAL 126 Peak 4025 from cnoeabs.peaks (0.96, 0.96, 23.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 126 + QG2 VAL 126 OK 100 100 - 100 Peak 4026 from cnoeabs.peaks (8.20, 0.96, 23.84 ppm; 4.11 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 127 + QG2 VAL 126 OK 100 100 100 100 1.8-4.0 4.4=83, 7809/2.1=79...(31) H LEU 122 + QG2 VAL 126 OK 32 93 35 97 5.2-7.6 3.5/11678=39...(22) H VAL 63 - QG2 VAL 126 far 0 100 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 4027 from cnoeabs.peaks (8.20, 3.97, 58.71 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA GLN 127 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 122 - HA GLN 127 far 0 93 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 4028 from cnoeabs.peaks (3.97, 3.97, 58.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 127 + HA GLN 127 OK 100 100 - 100 HA GLU 91 + HA GLU 91 OK 70 70 - 100 Peak 4029 from cnoeabs.peaks (2.06, 3.97, 58.71 ppm; 3.64 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 127 + HA GLN 127 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 91 + HA GLU 91 OK 48 48 100 100 2.2-2.9 3.0=100 HB2 GLU 128 - HA GLN 127 far 0 73 0 - 5.5-6.5 HG3 GLN 134 - HA GLN 127 far 0 71 0 - 7.4-9.4 HB2 GLU 128 - HA GLU 91 far 0 48 0 - 8.2-11.2 HB3 GLU 44 - HA GLN 127 far 0 81 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 4030 from cnoeabs.peaks (2.23, 3.97, 58.71 ppm; 3.80 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 91 + HA GLU 91 OK 76 76 100 100 2.0-3.4 3.9=95, 1.8/2884=76...(18) HB3 GLU 128 - HA GLN 127 far 0 100 0 - 5.5-6.5 HB3 LEU 96 - HA GLN 127 far 0 97 0 - 7.1-9.5 HB3 LEU 96 - HA GLU 91 far 0 71 0 - 7.4-10.3 HB3 GLU 128 - HA GLU 91 far 0 76 0 - 8.0-12.2 HG2 GLN 68 - HA GLN 127 far 0 100 0 - 9.3-14.9 HB3 GLU 97 - HA GLU 91 far 0 71 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 4031 from cnoeabs.peaks (2.35, 3.97, 58.71 ppm; 4.24 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLN 127 + HA GLN 127 OK 100 100 100 100 2.9-4.1 3.8=100 HG2 GLU 128 - HA GLN 127 far 0 83 0 - 6.0-6.9 HG2 GLU 128 - HA GLU 91 far 0 56 0 - 7.6-14.0 HB VAL 77 - HA GLU 91 far 0 56 0 - 7.9-9.5 HB3 GLN 134 - HA GLN 127 far 0 71 0 - 8.6-11.4 HG3 GLU 30 - HA GLU 91 far 0 50 0 - 9.3-28.9 HG3 GLN 27 - HA GLN 127 far 0 100 0 - 9.7-25.1 HG2 GLU 44 - HA GLN 127 far 0 89 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 4032 from cnoeabs.peaks (2.49, 3.97, 58.71 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.2-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 4035 from cnoeabs.peaks (7.88, 3.97, 58.71 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA GLN 127 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 88 - HA GLU 91 far 0 42 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 4036 from cnoeabs.peaks (8.04, 3.97, 58.71 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + HA GLN 127 OK 100 100 100 100 3.3-3.8 7878=92, 3.9/4181=60...(15) H CYS 125 - HA GLN 127 far 0 99 0 - 6.6-6.9 H LEU 48 - HA GLN 127 far 0 97 0 - 6.9-8.5 H ALA 52 - HA GLN 127 far 0 99 0 - 8.0-11.1 Violated in 0 structures by 0.00 A. Peak 4037 from cnoeabs.peaks (3.82, 3.97, 58.71 ppm; 4.23 A): 4 out of 4 assignments used, quality = 1.00: * HB2 SER 130 + HA GLN 127 OK 99 100 100 99 2.8-3.8 1.8/4181=89, 4175=55...(18) HB2 SER 50 + HA GLN 127 OK 67 90 90 83 2.7-6.4 4175=23, 1870/3.0=18...(19) HA ARG 90 + HA GLU 91 OK 39 41 100 95 4.8-4.9 4.8=68, ~7230=33...(13) HA LEU 123 + HA GLN 127 OK 30 68 55 80 5.0-6.5 10393/10394=26...(14) Violated in 0 structures by 0.00 A. Peak 4038 from cnoeabs.peaks (3.77, 3.97, 58.71 ppm; 4.27 A): 3 out of 4 assignments used, quality = 1.00: * HB3 SER 130 + HA GLN 127 OK 100 100 100 100 3.3-4.2 4181=100, 3.9/4036=50...(12) HA SER 130 + HA GLN 127 OK 72 99 75 98 5.5-6.0 3.0/4181=72, 2.9/4036=62...(12) HA ARG 90 + HA GLU 91 OK 54 56 100 97 4.8-4.9 4.8=70, ~7230=34...(13) HA LEU 43 - HA GLN 127 poor 20 99 20 - 5.2-7.7 Violated in 0 structures by 0.00 A. Peak 4039 from cnoeabs.peaks (4.24, 2.06, 27.80 ppm; 4.66 A): 1 out of 10 assignments used, quality = 1.00: * HA SER 124 + HB2 GLN 127 OK 100 100 100 100 2.5-4.7 3966=100, 4049/1.8=90...(16) HA GLU 30 - HG3 PRO 58 far 3 65 5 - 4.1-24.6 HA LYS 19 - HG3 PRO 58 far 0 45 0 - 6.3-34.2 HA SER 51 - HB2 GLN 127 far 0 73 0 - 6.5-10.7 HA ALA 29 - HG3 PRO 58 far 0 69 0 - 7.3-23.4 HA LYS 26 - HG3 PRO 58 far 0 41 0 - 7.3-27.3 HA LEU 22 - HG3 PRO 58 far 0 43 0 - 7.4-30.1 HA ALA 28 - HG3 PRO 58 far 0 76 0 - 7.6-24.6 HA GLN 27 - HG3 PRO 58 far 0 76 0 - 8.3-23.2 HA SER 99 - HG3 PRO 113 far 0 44 0 - 8.4-19.5 Violated in 1 structures by 0.00 A. Peak 4040 from cnoeabs.peaks (8.20, 2.06, 27.80 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.3-3.6 7813=100, 4050/1.8=75...(30) H VAL 63 - HG3 PRO 58 far 0 76 0 - 6.0-8.1 H VAL 63 - HG3 PRO 113 far 0 67 0 - 6.6-15.0 H LEU 122 - HB2 GLN 127 far 0 93 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 4041 from cnoeabs.peaks (3.97, 2.06, 27.80 ppm; 3.94 A): 3 out of 16 assignments used, quality = 1.00: * HA GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 50 + HB2 GLN 127 OK 38 65 65 89 3.3-7.0 11498/1.8=28...(22) HB2 SER 124 + HB2 GLN 127 OK 27 68 40 98 5.1-7.2 3.0/3966=58, ~4049=36...(21) HA2 GLY 17 - HG3 PRO 58 far 4 74 5 - 4.4-38.3 HB3 SER 107 - HG3 PRO 113 far 3 64 5 - 5.4-20.5 HA3 GLY 17 - HG3 PRO 58 far 0 74 0 - 5.9-36.7 HA3 GLY 111 - HG3 PRO 58 far 0 49 0 - 6.0-19.0 HA VAL 20 - HG3 PRO 58 far 0 55 0 - 6.9-31.9 HB3 SER 51 - HB2 GLN 127 far 0 96 0 - 7.3-12.4 HD3 PRO 117 - HG3 PRO 113 far 0 54 0 - 7.6-13.3 HA3 GLY 111 - HG3 PRO 113 far 0 42 0 - 7.7-9.4 HA LEU 100 - HG3 PRO 113 far 0 64 0 - 7.9-17.8 HB2 SER 51 - HB2 GLN 127 far 0 65 0 - 8.6-12.4 HB3 SER 106 - HG3 PRO 113 far 0 64 0 - 9.0-20.8 HB2 SER 106 - HG3 PRO 113 far 0 67 0 - 9.1-20.9 HB2 SER 106 - HG3 PRO 58 far 0 76 0 - 9.3-19.5 Violated in 0 structures by 0.00 A. Peak 4042 from cnoeabs.peaks (2.06, 2.06, 27.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLN 127 + HB2 GLN 127 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 67 67 - 100 HG3 PRO 58 + HG3 PRO 58 OK 65 65 - 100 Peak 4043 from cnoeabs.peaks (2.23, 2.06, 27.80 ppm; 2.96 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 127 + HB2 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 128 + HB2 GLN 127 OK 52 100 75 70 4.1-6.7 3.6/4048=20...(15) HB3 LEU 96 - HB2 GLN 127 far 0 97 0 - 7.6-10.4 HB3 GLN 104 - HG3 PRO 113 far 0 67 0 - 8.0-21.3 HB3 GLU 102 - HG3 PRO 113 far 0 67 0 - 9.7-20.1 Violated in 0 structures by 0.00 A. Peak 4044 from cnoeabs.peaks (2.35, 2.06, 27.80 ppm; 3.48 A): 1 out of 9 assignments used, quality = 1.00: * HG2 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 - HB2 GLN 127 poor 13 83 25 63 4.8-6.8 4.6/4048=23, 3.0/4043=22...(13) HG3 GLU 30 - HG3 PRO 58 far 3 51 5 - 4.7-26.5 HG3 GLN 27 - HG3 PRO 58 far 0 76 0 - 7.0-25.4 HG2 GLN 27 - HG3 PRO 58 far 0 77 0 - 8.2-25.9 HB3 GLN 134 - HB2 GLN 127 far 0 71 0 - 9.3-13.0 HB2 PRO 117 - HG3 PRO 113 far 0 65 0 - 9.5-14.5 HG3 GLN 27 - HB2 GLN 127 far 0 100 0 - 9.7-27.5 HG2 GLN 104 - HG3 PRO 58 far 0 43 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 4045 from cnoeabs.peaks (2.49, 2.06, 27.80 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HG3 PRO 58 far 0 55 0 - 7.0-45.7 HG2 GLU 55 - HG3 PRO 113 far 0 47 0 - 7.3-21.5 HG2 GLU 55 - HG3 PRO 58 far 0 55 0 - 8.4-12.7 HG3 GLN 104 - HG3 PRO 113 far 0 58 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 4046 from cnoeabs.peaks (6.82, 2.06, 27.80 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 127 + HB2 GLN 127 OK 100 100 100 100 3.2-5.4 4.5=100 QE TYR 72 - HB2 GLN 127 far 9 95 10 - 7.7-15.0 Violated in 0 structures by 0.00 A. Peak 4047 from cnoeabs.peaks (7.48, 2.06, 27.80 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 127 + HB2 GLN 127 OK 100 100 100 100 1.9-4.6 4.5=100 H GLN 134 - HB2 GLN 127 far 0 98 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 4048 from cnoeabs.peaks (7.88, 2.06, 27.80 ppm; 4.22 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 128 + HB2 GLN 127 OK 100 100 100 100 2.4-3.7 4058/1.8=76, 4.7=74...(31) H THR 115 + HG3 PRO 113 OK 24 51 50 96 4.1-7.0 7600/7595=47...(17) H GLN 104 - HG3 PRO 113 far 0 62 0 - 7.6-19.2 H THR 115 - HG3 PRO 58 far 0 59 0 - 8.0-16.7 H SER 106 - HG3 PRO 113 far 0 59 0 - 8.4-18.6 Violated in 0 structures by 0.00 A. Peak 4049 from cnoeabs.peaks (4.24, 2.23, 27.80 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 124 + HB3 GLN 127 OK 100 100 100 100 3.0-4.7 3966/1.8=89...(14) HA SER 51 - HB3 GLN 127 far 0 73 0 - 6.6-10.8 Violated in 13 structures by 0.10 A. Peak 4050 from cnoeabs.peaks (8.20, 2.23, 27.80 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.5-3.6 4.0=93, 7813/1.8=78...(26) H LEU 122 - HB3 GLN 127 far 0 93 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 4051 from cnoeabs.peaks (3.97, 2.23, 27.80 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 50 + HB3 GLN 127 OK 37 65 65 87 2.3-7.1 4060/4062=22...(25) HB2 SER 124 - HB3 GLN 127 far 0 68 0 - 5.3-7.5 HB3 SER 51 - HB3 GLN 127 far 0 96 0 - 7.4-11.9 HB2 SER 51 - HB3 GLN 127 far 0 65 0 - 8.3-12.6 Violated in 0 structures by 0.00 A. Peak 4052 from cnoeabs.peaks (2.06, 2.23, 27.80 ppm; 3.04 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 127 + HB3 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 128 - HB3 GLN 127 far 4 73 5 - 4.2-7.4 HG3 GLN 134 - HB3 GLN 127 far 0 71 0 - 8.2-11.2 Violated in 0 structures by 0.00 A. Peak 4053 from cnoeabs.peaks (2.23, 2.23, 27.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 127 + HB3 GLN 127 OK 100 100 - 100 Peak 4054 from cnoeabs.peaks (2.35, 2.23, 27.80 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 - HB3 GLN 127 poor 17 83 20 - 5.0-7.4 Violated in 0 structures by 0.00 A. Peak 4055 from cnoeabs.peaks (2.49, 2.23, 27.80 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4056 from cnoeabs.peaks (6.82, 2.23, 27.80 ppm; 6.23 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 127 + HB3 GLN 127 OK 100 100 100 100 3.3-5.3 4.5=100 QE TYR 72 - HB3 GLN 127 far 9 95 10 - 7.1-14.7 Violated in 0 structures by 0.00 A. Peak 4057 from cnoeabs.peaks (7.48, 2.23, 27.80 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 127 + HB3 GLN 127 OK 100 100 100 100 1.9-4.4 4.5=100 H GLN 134 - HB3 GLN 127 far 0 98 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 4058 from cnoeabs.peaks (7.88, 2.23, 27.80 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HB3 GLN 127 OK 100 100 100 100 2.5-4.1 4.7=77, 3.2/4050=65...(22) Violated in 0 structures by 0.00 A. Peak 4059 from cnoeabs.peaks (8.20, 2.35, 33.92 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * H GLN 127 + HG2 GLN 127 OK 100 100 100 100 1.8-3.0 4068/1.8=73, 7815=59...(25) H VAL 63 - HG2 GLN 27 far 8 85 10 - 4.3-21.5 H VAL 63 - HG3 GLN 27 far 4 83 5 - 4.1-20.7 H LEU 122 - HG2 GLN 127 far 0 93 0 - 7.4-8.4 H LEU 122 - HG2 GLN 27 far 0 75 0 - 9.8-25.9 Violated in 0 structures by 0.00 A. Peak 4060 from cnoeabs.peaks (3.97, 2.35, 33.92 ppm; 3.52 A): 2 out of 32 assignments used, quality = 1.00: * HA GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.9-4.1 3.8=82, 3.0/4062=67...(20) HA SER 50 + HG2 GLN 127 OK 52 65 95 83 3.1-5.1 11874/11638=28...(14) HB2 SER 124 - HG2 GLN 127 far 10 68 15 - 4.3-6.9 HB3 SER 107 - HG3 GLN 27 far 8 80 10 - 3.9-25.4 HB3 SER 107 - HG2 GLN 27 far 4 81 5 - 4.0-27.0 HB2 SER 51 - HG2 GLN 27 far 2 49 5 - 4.8-31.0 HB3 SER 51 - HG3 GLN 27 far 0 76 0 - 5.1-29.4 HB3 SER 51 - HG2 GLN 27 far 0 78 0 - 5.2-30.4 HA LEU 100 - HG2 GLN 27 far 0 82 0 - 5.4-24.4 HB2 SER 51 - HG3 GLN 27 far 0 48 0 - 5.6-30.1 HB3 SER 106 - HG2 GLN 27 far 0 81 0 - 5.6-31.4 HA VAL 20 - HG2 GLN 27 far 0 62 0 - 6.2-19.6 HB2 SER 106 - HG2 GLN 27 far 0 85 0 - 6.4-31.3 HA LEU 100 - HG3 GLN 27 far 0 81 0 - 6.6-22.9 HA VAL 20 - HG3 GLN 27 far 0 61 0 - 6.7-18.5 HB3 SER 106 - HG3 GLN 27 far 0 80 0 - 6.7-29.7 HA THR 65 - HG3 GLN 27 far 0 84 0 - 7.2-18.3 HB2 SER 106 - HG3 GLN 27 far 0 84 0 - 7.6-29.7 HB3 SER 94 - HG2 GLN 27 far 0 85 0 - 7.9-31.5 HB3 SER 51 - HG2 GLN 127 far 0 96 0 - 8.4-10.4 HA THR 65 - HG2 GLN 27 far 0 85 0 - 8.6-19.1 HB2 SER 51 - HG2 GLN 127 far 0 65 0 - 8.8-11.1 HB3 SER 94 - HG3 GLN 27 far 0 84 0 - 8.8-30.1 HA GLN 68 - HG2 GLN 27 far 0 56 0 - 9.0-18.7 HA SER 50 - HG2 GLN 27 far 0 49 0 - 9.0-29.1 HA3 GLY 111 - HG3 GLN 27 far 0 55 0 - 9.0-30.0 HA SER 50 - HG3 GLN 27 far 0 48 0 - 9.2-27.9 HA GLN 127 - HG3 GLN 27 far 0 84 0 - 9.7-25.1 HA3 GLY 111 - HG2 GLN 27 far 0 56 0 - 9.7-31.4 HA GLN 68 - HG3 GLN 27 far 0 55 0 - 9.8-17.1 HA3 GLY 17 - HG2 GLN 27 far 0 82 0 - 9.8-23.9 HA THR 65 - HG2 GLN 127 far 0 100 0 - 9.9-12.7 Violated in 1 structures by 0.01 A. Peak 4061 from cnoeabs.peaks (2.06, 2.35, 33.92 ppm; 3.15 A): 3 out of 21 assignments used, quality = 1.00: * HB2 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 27 + HG2 GLN 27 OK 85 85 100 100 2.2-3.0 3.0=100 HB3 GLN 27 + HG3 GLN 27 OK 83 83 100 100 2.3-3.0 3.0=100 HB3 GLU 44 - HG3 GLN 27 far 3 61 5 - 4.6-24.3 HB3 GLU 44 - HG2 GLN 27 far 0 62 0 - 4.7-24.4 HB2 GLU 128 - HG2 GLN 127 far 0 73 0 - 6.0-7.8 HB2 GLU 102 - HG2 GLN 27 far 0 54 0 - 6.6-30.3 HB2 GLU 102 - HG3 GLN 27 far 0 53 0 - 6.7-28.8 HG3 PRO 58 - HG3 GLN 27 far 0 72 0 - 7.0-25.4 HB3 GLU 40 - HG3 GLN 27 far 0 61 0 - 7.3-27.3 HB VAL 118 - HG2 GLN 27 far 0 86 0 - 7.5-25.4 HB2 LEU 62 - HG3 GLN 27 far 0 84 0 - 7.6-24.2 HB3 GLU 40 - HG2 GLN 27 far 0 62 0 - 7.9-28.0 HB2 LEU 62 - HG2 GLN 27 far 0 86 0 - 8.0-25.1 HG3 PRO 58 - HG2 GLN 27 far 0 73 0 - 8.2-25.9 HB VAL 118 - HG3 GLN 27 far 0 84 0 - 8.6-24.2 QE MET 11 - HG3 GLN 27 far 0 70 0 - 9.0-24.3 HB2 LEU 62 - HG2 GLN 127 far 0 100 0 - 9.3-13.2 HB2 GLN 127 - HG3 GLN 27 far 0 84 0 - 9.7-27.5 HG3 GLN 134 - HG3 GLN 27 far 0 53 0 - 9.8-28.5 QE MET 11 - HG2 GLN 27 far 0 72 0 - 9.8-23.9 Violated in 0 structures by 0.00 A. Peak 4062 from cnoeabs.peaks (2.23, 2.35, 33.92 ppm; 3.55 A): 1 out of 16 assignments used, quality = 1.00: * HB3 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 128 - HG2 GLN 127 far 10 100 10 - 4.5-7.6 HB3 GLN 104 - HG2 GLN 27 far 4 85 5 - 3.6-25.2 HB3 GLN 104 - HG3 GLN 27 far 4 83 5 - 3.8-24.4 HB3 GLU 97 - HG2 GLN 27 far 4 80 5 - 4.0-28.4 HB2 GLN 101 - HG2 GLN 27 far 3 64 5 - 4.5-27.3 HB3 GLU 97 - HG3 GLN 27 far 0 79 0 - 5.2-27.0 HB2 GLN 101 - HG3 GLN 27 far 0 63 0 - 5.2-26.0 HB3 GLU 102 - HG2 GLN 27 far 0 85 0 - 5.6-29.6 HB3 GLU 102 - HG3 GLN 27 far 0 84 0 - 6.2-28.0 HB3 LEU 96 - HG2 GLN 127 far 0 97 0 - 7.0-9.1 HG2 GLN 68 - HG3 GLN 27 far 0 83 0 - 8.6-17.4 HB3 LEU 96 - HG2 GLN 27 far 0 80 0 - 8.6-23.8 HB2 GLN 68 - HG3 GLN 27 far 0 81 0 - 8.8-17.0 HB2 GLN 68 - HG2 GLN 27 far 0 83 0 - 9.3-16.1 HG2 GLN 68 - HG2 GLN 127 far 0 100 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 4063 from cnoeabs.peaks (2.35, 2.35, 33.92 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 127 + HG2 GLN 127 OK 100 100 - 100 HG2 GLN 27 + HG2 GLN 27 OK 85 85 - 100 HG3 GLN 27 + HG3 GLN 27 OK 83 83 - 100 Peak 4064 from cnoeabs.peaks (2.49, 2.35, 33.92 ppm; 2.64 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLN 127 + HG2 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 104 - HG2 GLN 27 far 4 75 5 - 1.9-26.1 HG3 GLN 104 - HG3 GLN 27 far 4 74 5 - 3.3-24.6 HG3 GLU 44 - HG2 GLN 27 far 3 58 5 - 4.0-26.7 HG3 GLU 44 - HG3 GLN 27 far 0 57 0 - 4.6-26.6 HG2 GLU 55 - HG3 GLN 27 far 0 61 0 - 9.3-30.6 HG2 GLU 55 - HG2 GLN 27 far 0 62 0 - 9.3-31.5 HG2 GLU 55 - HG2 GLN 127 far 0 81 0 - 9.8-13.8 HG3 GLN 127 - HG3 GLN 27 far 0 84 0 - 10.0-26.9 Violated in 0 structures by 0.00 A. Peak 4065 from cnoeabs.peaks (6.82, 2.35, 33.92 ppm; 4.29 A): 1 out of 8 assignments used, quality = 1.00: * HE21 GLN 127 + HG2 GLN 127 OK 100 100 100 100 3.4-4.1 3.5=100 HE21 GLN 101 - HG3 GLN 27 far 2 48 5 - 5.6-30.3 HE21 GLN 101 - HG2 GLN 27 far 0 49 0 - 5.8-31.5 QE TYR 72 - HG3 GLN 27 far 0 75 0 - 7.6-17.7 QE TYR 72 - HG2 GLN 27 far 0 76 0 - 7.7-18.9 HE21 GLN 127 - HG3 GLN 27 far 0 84 0 - 8.2-29.0 QE TYR 72 - HG2 GLN 127 far 0 95 0 - 8.4-14.6 HE21 GLN 127 - HG2 GLN 27 far 0 86 0 - 9.9-30.3 Violated in 0 structures by 0.00 A. Peak 4066 from cnoeabs.peaks (7.48, 2.35, 33.92 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.1-3.6 3.5=100 H LEU 42 - HG3 GLN 27 far 4 80 5 - 5.3-22.0 H LEU 42 - HG2 GLN 27 far 0 81 0 - 6.9-22.6 HE22 GLN 127 - HG3 GLN 27 far 0 84 0 - 9.8-28.7 Violated in 0 structures by 0.00 A. Peak 4067 from cnoeabs.peaks (7.88, 2.35, 33.92 ppm; 6.80 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 128 + HG2 GLN 127 OK 100 100 100 100 3.0-4.5 3.2/4059=100...(23) H GLN 104 - HG2 GLN 27 poor 16 79 20 - 3.4-25.6 H SER 106 - HG2 GLN 27 poor 15 76 20 - 6.1-28.6 H SER 106 - HG3 GLN 27 poor 15 75 20 - 6.6-27.0 H GLN 104 - HG3 GLN 27 far 12 78 15 - 3.8-24.1 H ALA 41 - HG2 GLN 27 far 4 84 5 - 5.6-24.2 H ALA 41 - HG3 GLN 27 far 4 82 5 - 4.3-23.9 H GLN 68 - HG3 GLN 27 far 0 61 0 - 8.5-16.2 H GLN 68 - HG2 GLN 27 far 0 62 0 - 8.8-17.6 Violated in 0 structures by 0.00 A. Peak 4068 from cnoeabs.peaks (8.20, 2.49, 33.92 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HG3 GLN 127 OK 100 100 100 100 1.8-3.9 7816=79, 4059/1.8=75...(24) H LEU 122 - HG3 GLN 127 far 0 93 0 - 8.0-9.8 Violated in 5 structures by 0.03 A. Peak 4069 from cnoeabs.peaks (3.97, 2.49, 33.92 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.2-3.9 3.8=94, 4060/1.8=60...(21) HA SER 50 + HG3 GLN 127 OK 54 65 95 86 2.1-6.3 11874/11637=29...(14) HB2 SER 124 - HG3 GLN 127 poor 17 68 25 - 4.5-7.7 HB3 SER 51 - HG3 GLN 127 far 0 96 0 - 7.3-11.3 HB2 SER 51 - HG3 GLN 127 far 0 65 0 - 7.7-12.4 HA THR 65 - HG3 GLN 127 far 0 100 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 4070 from cnoeabs.peaks (2.06, 2.49, 33.92 ppm; 3.45 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 128 - HG3 GLN 127 far 7 73 10 - 4.7-8.2 HG3 GLN 134 - HG3 GLN 127 far 0 71 0 - 9.3-12.2 HB2 LEU 62 - HG3 GLN 127 far 0 100 0 - 9.5-14.1 HB3 GLN 27 - HG3 GLN 127 far 0 100 0 - 9.9-27.7 Violated in 0 structures by 0.00 A. Peak 4071 from cnoeabs.peaks (2.23, 2.49, 33.92 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 128 - HG3 GLN 127 far 15 100 15 - 3.2-8.3 HB3 LEU 96 - HG3 GLN 127 far 0 97 0 - 7.2-10.3 HG2 GLN 68 - HG3 GLN 127 far 0 100 0 - 9.7-16.5 Violated in 0 structures by 0.00 A. Peak 4072 from cnoeabs.peaks (2.35, 2.49, 33.92 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 127 + HG3 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 128 - HG3 GLN 127 far 0 83 0 - 4.3-8.4 HG2 GLU 44 - HG3 GLN 127 far 0 89 0 - 9.8-16.3 HG3 GLN 27 - HG3 GLN 127 far 0 100 0 - 10.0-26.9 Violated in 0 structures by 0.00 A. Peak 4073 from cnoeabs.peaks (2.49, 2.49, 33.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HG3 GLN 127 OK 100 100 - 100 Peak 4074 from cnoeabs.peaks (6.82, 2.49, 33.92 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 127 + HG3 GLN 127 OK 100 100 100 100 3.5-4.1 3.5=100 QE TYR 72 - HG3 GLN 127 far 0 95 0 - 7.8-14.4 Violated in 0 structures by 0.00 A. Peak 4075 from cnoeabs.peaks (7.48, 2.49, 33.92 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.3-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 4076 from cnoeabs.peaks (7.88, 2.49, 33.92 ppm; 5.74 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HG3 GLN 127 OK 100 100 100 100 1.9-5.1 3.2/4068=95, 4058/3.0=92...(22) Violated in 0 structures by 0.00 A. Peak 4077 from cnoeabs.peaks (7.88, 4.20, 59.03 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA GLU 128 OK 100 100 100 100 2.7-2.8 2.9=100 H ALA 88 - HA GLU 128 far 0 65 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 4078 from cnoeabs.peaks (4.20, 4.20, 59.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 128 + HA GLU 128 OK 100 100 - 100 Peak 4079 from cnoeabs.peaks (2.08, 4.20, 59.03 ppm; 3.94 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLN 127 + HA GLU 128 OK 72 73 100 98 3.8-4.5 1.8/4080=37, ~4058=36...(26) HG3 GLN 134 - HA GLU 128 far 0 100 0 - 7.2-8.7 HB VAL 126 - HA GLU 128 far 0 73 0 - 7.8-8.6 HG3 GLU 91 - HA GLU 128 far 0 63 0 - 8.0-11.8 Violated in 0 structures by 0.00 A. Peak 4080 from cnoeabs.peaks (2.22, 4.20, 59.03 ppm; 3.85 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLN 127 + HA GLU 128 OK 84 100 85 98 4.1-5.6 4058/2.9=51, 1.8/4079=30...(25) HB3 LEU 96 - HA GLU 128 far 0 97 0 - 8.2-11.2 HG2 GLU 91 - HA GLU 128 far 0 100 0 - 8.7-12.7 Violated in 0 structures by 0.00 A. Peak 4081 from cnoeabs.peaks (2.37, 4.20, 59.03 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.0-3.9 3.9=100 HG2 GLN 127 - HA GLU 128 far 12 83 15 - 5.2-6.6 Violated in 0 structures by 0.00 A. Peak 4082 from cnoeabs.peaks (2.42, 4.20, 59.03 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-3.5 3.9=100 Violated in 0 structures by 0.00 A. Peak 4083 from cnoeabs.peaks (8.00, 4.20, 59.03 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HA GLU 128 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 51 - HA GLU 128 far 0 85 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 4084 from cnoeabs.peaks (8.27, 4.20, 59.03 ppm; 4.76 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 131 + HA GLU 128 OK 100 100 100 100 3.3-3.8 7904/4086=79...(14) H VAL 126 - HA GLU 128 far 0 83 0 - 6.8-7.3 H LEU 96 - HA GLU 128 far 0 100 0 - 9.6-10.9 H LEU 123 - HA GLU 128 far 0 97 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 4085 from cnoeabs.peaks (2.77, 4.20, 59.03 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HA GLU 128 OK 100 100 100 100 2.7-3.8 4195=100, 1.8/4086=88...(18) HB2 CYS 73 - HA GLU 128 far 0 73 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 4086 from cnoeabs.peaks (2.87, 4.20, 59.03 ppm; 4.15 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 131 + HA GLU 128 OK 100 100 100 100 2.5-3.6 4201=100, 1.8/4195=84...(16) HE2 LYS 95 - HA GLU 128 far 0 93 0 - 8.4-14.7 HE3 LYS 95 - HA GLU 128 far 0 93 0 - 9.4-13.8 HB3 ASP 47 - HA GLU 128 far 0 76 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 4087 from cnoeabs.peaks (4.35, 2.08, 28.41 ppm; 4.42 A): 1 out of 13 assignments used, quality = 1.00: * HA CYS 125 + HB2 GLU 128 OK 100 100 100 100 2.7-4.5 3986=100, 11698/3.0=66...(16) HA PRO 81 - HB3 GLN 82 poor 8 41 20 - 5.5-6.5 HA ASN 59 - HB2 GLN 61 far 0 44 0 - 5.9-7.3 HA LYS 24 - HB2 GLN 61 far 0 45 0 - 6.7-23.7 HA LYS 24 - HB3 GLU 44 far 0 79 0 - 6.8-29.9 HA ASP 47 - HB3 GLU 44 far 0 92 0 - 7.1-8.0 HA GLN 134 - HB3 GLN 82 far 0 53 0 - 7.5-14.3 HA LEU 69 - HB3 GLU 44 far 0 69 0 - 7.9-10.8 HA LYS 24 - HB2 GLU 102 far 0 74 0 - 8.2-35.5 HA PRO 113 - HB2 GLN 61 far 0 50 0 - 8.6-16.6 HA PRO 113 - HB2 GLU 102 far 0 80 0 - 9.2-18.2 HA GLN 134 - HB3 GLU 44 far 0 98 0 - 9.8-13.4 HA PRO 117 - HB2 GLU 102 far 0 88 0 - 9.9-14.3 Violated in 2 structures by 0.01 A. Peak 4088 from cnoeabs.peaks (7.88, 2.08, 28.41 ppm; 3.98 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.1-3.5 3.6=100 H GLN 104 + HB2 GLU 102 OK 29 89 35 92 5.1-6.3 7484/3.0=61, 7485/4.6=41...(8) H SER 106 - HB2 GLU 102 poor 20 87 30 76 2.8-10.1 7539/11456=38...(7) H ALA 41 - HB3 GLU 44 far 5 97 5 - 5.4-6.7 H ALA 88 - HB3 GLN 82 far 0 28 0 - 7.5-10.2 H ALA 88 - HB2 GLU 128 far 0 65 0 - 7.7-11.5 H GLN 68 - HB2 GLN 61 far 0 44 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 4089 from cnoeabs.peaks (4.20, 2.08, 28.41 ppm; 4.33 A): 3 out of 15 assignments used, quality = 1.00: * HA GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HA SER 99 + HB2 GLU 102 OK 66 72 95 96 3.2-5.9 3207/1.8=57...(9) HB THR 83 + HB3 GLN 82 OK 22 27 90 91 4.3-6.5 4.4/11198=39, ~9769=35...(10) HB THR 25 - HB3 GLU 44 far 5 97 5 - 3.3-29.3 HA VAL 105 - HB2 GLU 102 far 5 93 5 - 5.8-8.6 HB THR 25 - HB2 GLN 61 far 3 62 5 - 3.5-28.2 HA GLU 30 - HB2 GLN 61 far 3 31 10 - 3.5-22.8 HA ALA 88 - HB2 GLU 128 far 0 99 0 - 6.0-9.7 HB THR 18 - HB2 GLN 61 far 0 63 0 - 6.4-34.4 HA LEU 53 - HB2 GLN 61 far 0 48 0 - 7.0-12.2 HA GLU 30 - HB3 GLU 44 far 0 56 0 - 7.3-22.5 HB THR 18 - HB3 GLU 44 far 0 98 0 - 7.6-36.0 HB3 SER 38 - HB3 GLU 44 far 0 64 0 - 8.0-11.6 HA ALA 34 - HB3 GLU 44 far 0 59 0 - 9.5-13.6 HA HIS 67 - HB2 GLU 102 far 0 72 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 4090 from cnoeabs.peaks (2.08, 2.08, 28.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLU 128 + HB2 GLU 128 OK 100 100 - 100 HB3 GLU 44 + HB3 GLU 44 OK 98 98 - 100 HB2 GLU 102 + HB2 GLU 102 OK 95 95 - 100 HB2 GLN 61 + HB2 GLN 61 OK 50 50 - 100 HB3 GLN 82 + HB3 GLN 82 OK 48 48 - 100 Peak 4091 from cnoeabs.peaks (2.22, 2.08, 28.41 ppm; 2.85 A): 3 out of 15 assignments used, quality = 1.00: * HB3 GLU 128 + HB2 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 102 + HB2 GLU 102 OK 94 94 100 100 1.8-1.8 1.8=100 HB2 GLN 82 + HB3 GLN 82 OK 34 34 100 100 1.8-1.8 1.8=100 HB3 GLN 127 - HB2 GLU 128 far 5 100 5 - 4.2-7.4 HB2 PRO 81 - HB3 GLN 82 far 1 24 5 - 3.5-6.9 HB2 GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-7.0 HG2 GLU 91 - HB2 GLU 128 far 0 100 0 - 6.3-11.3 HB3 GLN 104 - HB2 GLU 102 far 0 95 0 - 6.4-9.5 HB3 LEU 96 - HB2 GLU 128 far 0 97 0 - 6.4-10.9 HB3 GLU 97 - HB2 GLU 102 far 0 91 0 - 6.8-9.0 HG2 GLN 68 - HB3 GLU 44 far 0 97 0 - 8.1-14.1 HB2 GLN 68 - HB2 GLN 61 far 0 61 0 - 8.8-11.1 HB2 GLN 68 - HB3 GLU 44 far 0 97 0 - 9.0-13.3 HG2 GLN 68 - HB2 GLN 61 far 0 61 0 - 9.3-11.9 HB3 LEU 96 - HB2 GLU 102 far 0 89 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 4092 from cnoeabs.peaks (2.37, 2.08, 28.41 ppm; 3.83 A): 2 out of 13 assignments used, quality = 1.00: * HG2 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 82 82 100 100 2.2-3.0 3.0=100 HG2 GLN 27 - HB3 GLU 44 far 7 74 10 - 4.7-24.4 HG3 GLN 27 - HB3 GLU 44 far 4 86 5 - 4.6-24.3 HG3 GLU 40 - HB3 GLU 44 far 4 77 5 - 4.9-8.9 HG2 GLN 127 - HB2 GLU 128 far 0 83 0 - 6.0-7.8 HG2 GLN 27 - HB2 GLU 102 far 0 70 0 - 6.6-30.3 HG3 GLN 27 - HB2 GLU 102 far 0 82 0 - 6.7-28.8 HG2 GLN 104 - HB2 GLU 102 far 0 93 0 - 7.0-10.2 HG3 GLN 27 - HB2 GLN 61 far 0 51 0 - 7.2-23.5 HB2 PRO 117 - HB2 GLU 102 far 0 87 0 - 7.9-15.4 HG2 GLN 27 - HB2 GLN 61 far 0 42 0 - 8.5-23.9 HG3 GLU 55 - HB2 GLN 61 far 0 39 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 4093 from cnoeabs.peaks (2.42, 2.08, 28.41 ppm; 3.97 A): 5 out of 9 assignments used, quality = 1.00: * HG3 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 60 60 100 100 2.4-3.0 3.0=100 HG2 GLN 101 + HB2 GLU 102 OK 47 95 55 90 3.1-6.2 7450/7455=49...(19) HG2 GLN 82 + HB3 GLN 82 OK 39 39 100 100 2.2-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 27 27 100 100 2.4-3.0 2.9=100 HG3 GLU 40 - HB3 GLU 44 far 3 59 5 - 4.9-8.9 HB3 PRO 58 - HB2 GLN 61 far 0 58 0 - 5.7-8.2 HG3 GLU 97 - HB2 GLU 102 far 0 95 0 - 8.3-11.0 HG3 GLU 55 - HB2 GLN 61 far 0 37 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 4094 from cnoeabs.peaks (8.00, 2.08, 28.41 ppm; 4.29 A): 1 out of 10 assignments used, quality = 1.00: * H ILE 129 + HB2 GLU 128 OK 100 100 100 100 2.8-4.2 4.5=88, 7855/3.6=61...(16) H LYS 36 - HB3 GLU 44 far 0 96 0 - 6.4-13.5 H ALA 52 - HB2 GLN 61 far 0 36 0 - 6.9-10.7 H ALA 16 - HB3 GLU 44 far 0 59 0 - 7.0-34.7 H VAL 57 - HB2 GLN 61 far 0 62 0 - 7.2-9.4 H SER 38 - HB3 GLU 44 far 0 77 0 - 7.7-10.9 H SER 94 - HB2 GLU 128 far 0 97 0 - 8.0-10.6 H SER 51 - HB2 GLN 61 far 0 47 0 - 8.8-12.7 H SER 51 - HB3 GLU 44 far 0 81 0 - 9.5-11.3 H ALA 16 - HB2 GLN 61 far 0 32 0 - 9.8-33.6 Violated in 0 structures by 0.00 A. Peak 4095 from cnoeabs.peaks (4.35, 2.22, 28.41 ppm; 4.60 A): 2 out of 8 assignments used, quality = 1.00: * HA CYS 125 + HB3 GLU 128 OK 100 100 100 100 2.5-4.3 3986/1.8=94...(25) HA LEU 69 + HB2 GLN 68 OK 62 62 100 100 4.5-5.6 ~6922=34, 2.9/6921=34...(30) HA LYS 24 - HB2 GLN 68 far 4 71 5 - 4.8-20.3 HA LYS 24 - HB3 GLU 102 far 0 72 0 - 7.3-34.6 HA LYS 24 - HB3 GLU 97 far 0 55 0 - 7.7-30.3 HA PRO 113 - HB3 GLU 102 far 0 78 0 - 8.3-18.5 HA PRO 117 - HB3 GLU 102 far 0 86 0 - 9.8-13.1 HA ASP 47 - HB3 GLU 128 far 0 96 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 4096 from cnoeabs.peaks (7.88, 2.22, 28.41 ppm; 4.12 A): 3 out of 10 assignments used, quality = 1.00: * H GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.1-3.5 3.6=100 H GLN 68 + HB2 GLN 68 OK 69 69 100 100 2.1-2.6 3.7=100 H GLN 104 + HB3 GLU 102 OK 59 87 70 96 5.3-6.5 7484/3.0=65...(13) H SER 106 - HB3 GLU 102 poor 18 85 30 72 3.8-10.2 11781/3.0=37...(9) H GLN 104 - HB3 GLU 97 far 0 69 0 - 7.0-9.5 H SER 106 - HB3 GLU 97 far 0 66 0 - 7.2-13.5 H SER 106 - HB2 GLN 68 far 0 83 0 - 8.4-17.2 H ALA 88 - HB3 GLU 128 far 0 65 0 - 8.7-12.3 H GLN 68 - HB3 GLU 97 far 0 53 0 - 9.9-12.2 H ALA 41 - HB2 GLN 68 far 0 90 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 4097 from cnoeabs.peaks (4.20, 2.22, 28.41 ppm; 4.35 A): 3 out of 14 assignments used, quality = 1.00: * HA GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HA SER 99 + HB3 GLU 102 OK 70 70 100 99 3.4-5.4 3207=71, 3332/1.8=70...(14) HA HIS 67 + HB2 GLN 68 OK 56 69 90 91 5.5-5.9 6916/4.4=39, 3.6/6887=33...(14) HA GLU 30 - HB2 GLN 68 poor 12 50 25 - 3.4-13.9 HA ALA 34 - HB2 GLN 68 far 8 52 15 - 4.5-13.5 HA HIS 67 - HB3 GLU 97 far 0 53 0 - 6.4-8.8 HA VAL 105 - HB3 GLU 102 far 0 92 0 - 6.4-8.5 HA ALA 88 - HB3 GLU 128 far 0 99 0 - 6.8-10.9 HA SER 99 - HB3 GLU 97 far 0 53 0 - 7.0-8.4 HA GLU 30 - HB3 GLU 97 far 0 38 0 - 7.6-21.3 HA VAL 105 - HB3 GLU 97 far 0 73 0 - 7.7-12.4 HB3 SER 38 - HB2 GLN 68 far 0 57 0 - 8.1-15.7 HB THR 25 - HB2 GLN 68 far 0 91 0 - 8.1-23.1 HA HIS 67 - HB3 GLU 102 far 0 70 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4098 from cnoeabs.peaks (2.08, 2.22, 28.41 ppm; 2.89 A): 3 out of 18 assignments used, quality = 1.00: * HB2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 102 + HB3 GLU 102 OK 93 93 100 100 1.8-1.8 1.8=100 HB2 GLN 127 + HB3 GLU 128 OK 36 73 70 70 4.1-6.7 4043=20, 4079/3.0=13...(15) HB3 GLN 27 - HB3 GLU 97 far 3 55 5 - 2.8-27.1 HG2 PRO 117 - HB3 GLU 102 far 0 56 0 - 6.0-11.8 HG3 GLU 91 - HB3 GLU 128 far 0 63 0 - 6.1-11.0 HB3 GLN 27 - HB3 GLU 102 far 0 72 0 - 6.5-28.8 HB VAL 126 - HB3 GLU 128 far 0 73 0 - 6.8-8.8 HB2 GLU 102 - HB3 GLU 97 far 0 75 0 - 6.8-9.0 HB VAL 118 - HB3 GLU 102 far 0 64 0 - 6.9-9.0 HB VAL 126 - HB3 GLU 97 far 0 48 0 - 7.6-12.4 HB3 GLN 27 - HB2 GLN 68 far 0 71 0 - 7.7-15.5 HB VAL 126 - HB2 GLN 68 far 0 62 0 - 7.7-10.9 HB2 GLN 61 - HB2 GLN 68 far 0 77 0 - 8.8-11.1 HB3 GLU 44 - HB2 GLN 68 far 0 91 0 - 9.0-13.3 HG3 GLN 134 - HB3 GLU 128 far 0 100 0 - 9.1-11.2 HB3 GLN 61 - HB2 GLN 68 far 0 71 0 - 9.6-11.6 HG3 PRO 113 - HB3 GLU 102 far 0 72 0 - 9.7-20.1 Violated in 0 structures by 0.00 A. Peak 4099 from cnoeabs.peaks (2.22, 2.22, 28.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HB3 GLU 128 OK 100 100 - 100 HB3 GLU 102 + HB3 GLU 102 OK 93 93 - 100 HB2 GLN 68 + HB2 GLN 68 OK 90 90 - 100 HB3 GLU 97 + HB3 GLU 97 OK 71 71 - 100 Peak 4100 from cnoeabs.peaks (2.37, 2.22, 28.41 ppm; 4.03 A): 2 out of 14 assignments used, quality = 1.00: * HG2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 102 + HB3 GLU 102 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 GLN 127 - HB3 GLU 128 poor 17 83 20 - 4.5-7.6 HG2 GLU 102 - HB3 GLU 97 poor 12 62 20 - 4.9-10.0 HG2 GLN 27 - HB3 GLU 97 far 5 52 10 - 4.0-28.4 HG3 GLN 27 - HB3 GLU 97 far 3 62 5 - 5.2-27.0 HG2 GLN 27 - HB3 GLU 102 far 0 68 0 - 5.6-29.6 HG3 GLN 27 - HB3 GLU 102 far 0 80 0 - 6.2-28.0 HG2 GLN 104 - HB3 GLU 97 far 0 73 0 - 6.9-12.3 HG2 GLN 104 - HB3 GLU 102 far 0 91 0 - 7.1-10.6 HG2 GLN 104 - HB2 GLN 68 far 0 89 0 - 8.0-12.5 HB2 PRO 117 - HB3 GLU 102 far 0 85 0 - 8.0-14.0 HG3 GLN 27 - HB2 GLN 68 far 0 78 0 - 8.8-17.0 HG2 GLN 27 - HB2 GLN 68 far 0 66 0 - 9.3-16.1 Violated in 0 structures by 0.00 A. Peak 4101 from cnoeabs.peaks (2.42, 2.22, 28.41 ppm; 3.95 A): 4 out of 7 assignments used, quality = 1.00: * HG3 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 97 + HB3 GLU 97 OK 75 75 100 100 2.4-2.9 2.9=100 HG2 GLN 101 + HB3 GLU 97 OK 74 75 100 98 1.9-5.1 3123/1.8=29, 2.9/3298=27...(31) HG2 GLN 101 + HB3 GLU 102 OK 70 93 90 84 2.7-6.2 7450/3.8=43, 1.8/3316=15...(20) HG3 GLU 97 - HB3 GLU 102 far 0 93 0 - 7.0-11.8 HG3 GLU 97 - HB2 GLN 68 far 0 92 0 - 9.6-14.7 HG3 GLN 61 - HB2 GLN 68 far 0 89 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 4102 from cnoeabs.peaks (8.00, 2.22, 28.41 ppm; 4.60 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 129 + HB3 GLU 128 OK 100 100 100 100 3.1-4.2 4.5=100 H LYS 36 - HB2 GLN 68 far 4 89 5 - 5.7-13.3 H SER 38 - HB2 GLN 68 far 3 69 5 - 6.0-13.4 H SER 94 - HB3 GLU 97 far 0 69 0 - 6.7-8.6 H SER 94 - HB3 GLU 128 far 0 97 0 - 7.9-10.9 Violated in 0 structures by 0.00 A. Peak 4103 from cnoeabs.peaks (7.88, 2.37, 34.22 ppm; 3.58 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 128 + HG2 GLU 128 OK 100 100 100 100 3.1-3.9 4110/1.8=64, 2.9/4104=52...(18) H GLN 104 + HG2 GLN 104 OK 77 77 100 100 1.9-4.6 7495=84, 7496/1.8=73...(23) H SER 106 + HG2 GLN 104 OK 22 74 35 85 3.9-7.1 7535/5.0=29...(14) H GLN 68 - HG2 GLN 104 far 0 60 0 - 5.9-10.9 H ALA 88 - HG2 GLU 128 far 0 65 0 - 7.3-12.6 H THR 115 - HG2 GLN 104 far 0 64 0 - 8.5-18.5 Violated in 0 structures by 0.00 A. Peak 4104 from cnoeabs.peaks (4.20, 2.37, 34.22 ppm; 3.69 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.0-3.9 4104=92, 4111/1.8=75...(22) HA VAL 105 + HG2 GLN 104 OK 27 81 35 94 2.7-6.9 3479/11457=38...(13) HA HIS 67 - HG2 GLN 104 far 6 60 10 - 4.6-9.4 HA GLU 30 - HG2 GLN 104 far 2 43 5 - 4.3-19.8 HA ALA 88 - HG2 GLU 128 far 0 99 0 - 5.8-11.5 HA SER 99 - HG2 GLN 104 far 0 60 0 - 7.7-11.8 HB THR 25 - HG2 GLN 104 far 0 82 0 - 9.6-26.3 Violated in 4 structures by 0.01 A. Peak 4105 from cnoeabs.peaks (2.08, 2.37, 34.22 ppm; 3.57 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 127 - HG2 GLU 128 poor 15 73 30 68 4.8-6.8 4.7/4103=17...(15) HG3 GLU 91 - HG2 GLU 128 far 9 63 15 - 4.6-11.2 HB3 GLN 27 - HG2 GLN 104 far 6 62 10 - 3.8-23.5 HB VAL 118 - HG2 GLN 104 far 0 54 0 - 6.7-14.9 HB VAL 126 - HG2 GLU 128 far 0 73 0 - 6.8-9.7 HB2 GLU 102 - HG2 GLN 104 far 0 83 0 - 7.0-10.2 HB2 LEU 62 - HG2 GLN 104 far 0 54 0 - 7.2-12.2 HG3 GLN 134 - HG2 GLU 128 far 0 100 0 - 8.9-11.1 HB VAL 126 - HG2 GLN 104 far 0 54 0 - 9.6-15.2 HB3 GLN 61 - HG2 GLN 104 far 0 62 0 - 9.6-14.0 HG3 PRO 58 - HG2 GLN 104 far 0 79 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 4106 from cnoeabs.peaks (2.22, 2.37, 34.22 ppm; 2.96 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=97, 3.0/4104=34...(14) HB3 GLN 104 + HG2 GLN 104 OK 82 83 100 100 2.2-3.0 3.0=96, 3.0/3416=36...(20) HB3 GLN 127 - HG2 GLU 128 far 0 100 0 - 5.0-7.4 HB2 GLN 101 - HG2 GLN 104 far 0 64 0 - 5.2-10.2 HB3 LEU 96 - HG2 GLU 128 far 0 97 0 - 5.3-10.8 HG2 GLU 91 - HG2 GLU 128 far 0 100 0 - 5.3-12.0 HB3 GLU 97 - HG2 GLN 104 far 0 79 0 - 6.9-12.3 HB3 GLU 102 - HG2 GLN 104 far 0 82 0 - 7.1-10.6 HG2 GLN 68 - HG2 GLN 104 far 0 81 0 - 7.5-13.8 HB2 GLN 68 - HG2 GLN 104 far 0 81 0 - 8.0-12.5 Violated in 0 structures by 0.00 A. Peak 4107 from cnoeabs.peaks (2.37, 2.37, 34.22 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HG2 GLU 128 OK 100 100 - 100 HG2 GLN 104 + HG2 GLN 104 OK 80 80 - 100 Peak 4108 from cnoeabs.peaks (2.42, 2.37, 34.22 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 101 - HG2 GLN 104 far 0 83 0 - 6.3-11.4 HG3 GLU 97 - HG2 GLN 104 far 0 83 0 - 7.6-13.6 HG3 GLN 61 - HG2 GLN 104 far 0 80 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 4109 from cnoeabs.peaks (8.00, 2.37, 34.22 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG2 GLU 128 OK 100 100 100 100 2.3-5.2 4109=90, 4116/1.8=80...(20) H SER 94 - HG2 GLU 128 far 0 97 0 - 7.4-13.1 Violated in 12 structures by 0.26 A. Peak 4110 from cnoeabs.peaks (7.88, 2.42, 34.22 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HG3 GLU 128 OK 100 100 100 100 3.1-4.5 7854=75, 2.9/4111=64...(18) H ALA 88 - HG3 GLU 128 far 0 65 0 - 6.5-12.8 Violated in 16 structures by 0.26 A. Peak 4111 from cnoeabs.peaks (4.20, 2.42, 34.22 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.2-3.5 4082=90, 4104/1.8=69...(21) HA ALA 88 - HG3 GLU 128 far 0 99 0 - 5.4-11.3 Violated in 0 structures by 0.00 A. Peak 4112 from cnoeabs.peaks (2.08, 2.42, 34.22 ppm; 3.51 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 127 - HG3 GLU 128 far 4 73 5 - 4.6-7.3 HG3 GLU 91 - HG3 GLU 128 far 3 63 5 - 4.9-10.5 HB VAL 126 - HG3 GLU 128 far 0 73 0 - 8.3-10.1 HG3 GLN 134 - HG3 GLU 128 far 0 100 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 4113 from cnoeabs.peaks (2.22, 2.42, 34.22 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 127 - HG3 GLU 128 far 5 100 5 - 4.6-7.9 HG2 GLU 91 - HG3 GLU 128 far 0 100 0 - 5.8-11.1 HB3 LEU 96 - HG3 GLU 128 far 0 97 0 - 6.8-11.2 Violated in 0 structures by 0.00 A. Peak 4114 from cnoeabs.peaks (2.37, 2.42, 34.22 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HG3 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 127 - HG3 GLU 128 far 0 83 0 - 5.7-8.8 Violated in 0 structures by 0.00 A. Peak 4115 from cnoeabs.peaks (2.42, 2.42, 34.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 128 + HG3 GLU 128 OK 100 100 - 100 Peak 4116 from cnoeabs.peaks (8.00, 2.42, 34.22 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG3 GLU 128 OK 100 100 100 100 3.1-5.2 4109/1.8=77, 3.6/4111=72...(18) H SER 94 - HG3 GLU 128 far 0 97 0 - 8.3-12.5 Violated in 12 structures by 0.24 A. Peak 4117 from cnoeabs.peaks (8.00, 3.46, 66.06 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HA ILE 129 OK 100 100 100 100 2.8-2.9 2.9=100 H SER 94 - HA ILE 129 far 0 97 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 4118 from cnoeabs.peaks (3.46, 3.46, 66.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 129 + HA ILE 129 OK 100 100 - 100 Peak 4119 from cnoeabs.peaks (2.00, 3.46, 66.06 ppm; 4.56 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 129 + HA ILE 129 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 91 - HA ILE 129 far 0 99 0 - 7.0-8.7 HG2 PRO 81 - HA ILE 129 far 0 100 0 - 7.7-11.3 HG2 ARG 90 - HA ILE 129 far 0 83 0 - 8.2-10.3 HB2 GLN 134 - HA ILE 129 far 0 87 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 4120 from cnoeabs.peaks (0.82, 3.46, 66.06 ppm; 3.66 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HA ILE 129 OK 100 100 100 100 2.2-2.6 3.2=100 QG1 VAL 133 + HA ILE 129 OK 91 92 100 99 3.4-4.6 2.1/10479=44...(33) QG2 ILE 80 - HA ILE 129 far 0 99 0 - 5.7-9.0 HG13 ILE 80 - HA ILE 129 far 0 100 0 - 6.6-10.6 QD2 LEU 49 - HA ILE 129 far 0 71 0 - 7.9-9.9 QD1 LEU 70 - HA ILE 129 far 0 100 0 - 8.1-11.5 QD1 LEU 122 - HA ILE 129 far 0 92 0 - 8.5-11.4 QD1 LEU 53 - HA ILE 129 far 0 63 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 4121 from cnoeabs.peaks (0.75, 3.46, 66.06 ppm; 4.18 A): 2 out of 6 assignments used, quality = 1.00: * HG12 ILE 129 + HA ILE 129 OK 100 100 100 100 2.2-3.2 3.7=100 QD2 LEU 96 + HA ILE 129 OK 31 100 35 87 4.6-8.1 4164/4123=18...(26) QG1 VAL 93 - HA ILE 129 far 5 100 5 - 4.7-7.9 QD1 LEU 96 - HA ILE 129 far 4 78 5 - 5.6-8.4 QD2 LEU 43 - HA ILE 129 far 0 100 0 - 5.9-7.1 QD1 ILE 37 - HA ILE 129 far 0 60 0 - 8.6-13.3 Violated in 0 structures by 0.00 A. Peak 4122 from cnoeabs.peaks (1.74, 3.46, 66.06 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + HA ILE 129 OK 100 100 100 100 2.3-3.5 3.7=100 HG3 ARG 90 - HA ILE 129 far 0 96 0 - 7.5-9.7 HB ILE 80 - HA ILE 129 far 0 99 0 - 7.6-10.3 HB2 LEU 43 - HA ILE 129 far 0 89 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 4123 from cnoeabs.peaks (0.64, 3.46, 66.06 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + HA ILE 129 OK 100 100 100 100 2.9-3.9 4.2=94, 4163/3.2=79...(33) QD1 LEU 42 - HA ILE 129 far 0 99 0 - 5.7-8.1 Violated in 0 structures by 0.00 A. Peak 4124 from cnoeabs.peaks (8.04, 3.46, 66.06 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * H SER 130 + HA ILE 129 OK 100 100 100 100 3.6-3.6 3.6=100 H CYS 125 - HA ILE 129 far 0 99 0 - 8.2-9.3 H TYR 76 - HA ILE 129 far 0 99 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 4125 from cnoeabs.peaks (8.47, 3.46, 66.06 ppm; 5.43 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 132 + HA ILE 129 OK 100 100 100 100 3.0-3.5 7909=100, 7917/4126=80...(31) H ASP 47 - HA ILE 129 far 0 92 0 - 9.6-12.2 H LEU 70 - HA ILE 129 far 0 99 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 4126 from cnoeabs.peaks (2.28, 3.46, 66.06 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 132 + HA ILE 129 OK 100 100 100 100 3.2-4.8 4213=99, 2.1/10477=85...(24) HB2 PRO 81 - HA ILE 129 far 0 71 0 - 9.8-13.2 Violated in 9 structures by 0.06 A. Peak 4127 from cnoeabs.peaks (3.43, 2.00, 38.15 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 126 + HB ILE 129 OK 100 100 100 100 2.4-3.7 4007=100, 10402/3.2=84...(27) HA ILE 129 + HB ILE 129 OK 63 63 100 100 3.0-3.0 3.0=100 HA VAL 77 - HB ILE 129 far 0 93 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 4128 from cnoeabs.peaks (8.00, 2.00, 38.15 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HB ILE 129 OK 100 100 100 100 2.2-2.7 3.8=100 H SER 94 - HB ILE 129 far 0 97 0 - 7.6-8.8 Violated in 0 structures by 0.00 A. Peak 4129 from cnoeabs.peaks (3.46, 2.00, 38.15 ppm; 5.06 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + HB ILE 129 OK 100 100 100 100 3.0-3.0 3.0=100 HA VAL 126 + HB ILE 129 OK 63 63 100 100 2.4-3.7 3.2/11618=68, 4007=49...(27) HA LEU 42 - HB ILE 129 far 0 93 0 - 7.1-9.2 HA VAL 77 - HB ILE 129 far 0 93 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 4130 from cnoeabs.peaks (2.00, 2.00, 38.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 129 + HB ILE 129 OK 100 100 - 100 Peak 4131 from cnoeabs.peaks (0.82, 2.00, 38.15 ppm; 4.02 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HB ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 133 + HB ILE 129 OK 91 92 100 99 3.6-4.8 11768/2.9=54...(27) QD2 LEU 49 - HB ILE 129 far 4 71 5 - 5.4-7.6 QD1 LEU 70 - HB ILE 129 far 0 100 0 - 5.7-9.4 QG2 ILE 80 - HB ILE 129 far 0 99 0 - 6.2-10.5 QD1 LEU 122 - HB ILE 129 far 0 92 0 - 6.5-9.5 QD1 LEU 53 - HB ILE 129 far 0 63 0 - 7.8-10.1 HG13 ILE 80 - HB ILE 129 far 0 100 0 - 8.2-12.0 Violated in 0 structures by 0.00 A. Peak 4132 from cnoeabs.peaks (0.75, 2.00, 38.15 ppm; 4.43 A): 4 out of 7 assignments used, quality = 1.00: * HG12 ILE 129 + HB ILE 129 OK 100 100 100 100 2.6-3.0 2.9=100 QD2 LEU 96 + HB ILE 129 OK 55 100 55 99 3.0-6.9 11807/4007=42...(38) QD1 LEU 96 + HB ILE 129 OK 50 78 65 99 3.6-6.5 11040/11070=26...(37) QG1 VAL 93 + HB ILE 129 OK 40 100 40 100 4.3-6.7 11322/2.1=55, ~10487=46...(34) QD2 LEU 43 - HB ILE 129 far 10 100 10 - 5.4-6.8 QD1 ILE 37 - HB ILE 129 far 0 60 0 - 7.4-11.7 QD1 ILE 32 - HB ILE 129 far 0 65 0 - 9.4-15.3 Violated in 0 structures by 0.00 A. Peak 4133 from cnoeabs.peaks (1.74, 2.00, 38.15 ppm; 5.31 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + HB ILE 129 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 LEU 43 - HB ILE 129 far 0 89 0 - 7.3-10.2 HG3 ARG 90 - HB ILE 129 far 0 96 0 - 8.7-10.4 HB ILE 80 - HB ILE 129 far 0 99 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 4134 from cnoeabs.peaks (0.64, 2.00, 38.15 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + HB ILE 129 OK 100 100 100 100 2.0-2.3 3.2=100 QD1 LEU 42 + HB ILE 129 OK 69 99 70 100 3.9-7.1 2.1/9086=67, ~10486=60...(19) Violated in 0 structures by 0.00 A. Peak 4135 from cnoeabs.peaks (8.04, 2.00, 38.15 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + HB ILE 129 OK 100 100 100 100 2.2-2.6 7883=100, 4143/2.1=81...(24) H CYS 125 - HB ILE 129 far 0 99 0 - 6.9-8.3 H TYR 76 - HB ILE 129 far 0 99 0 - 8.2-10.0 H LEU 48 - HB ILE 129 far 0 97 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 4136 from cnoeabs.peaks (8.00, 0.82, 16.92 ppm; 4.25 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 129 + QG2 ILE 129 OK 100 100 100 100 3.6-3.8 4.0=100 H SER 94 - QG2 ILE 129 far 0 97 0 - 5.8-7.3 H ILE 129 - QG2 ILE 80 far 0 70 0 - 7.8-11.3 H SER 94 - QG2 ILE 80 far 0 63 0 - 8.1-11.3 H SER 38 - QG2 ILE 80 far 0 49 0 - 8.8-16.1 H SER 38 - QG2 ILE 129 far 0 81 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 4137 from cnoeabs.peaks (3.46, 0.82, 16.92 ppm; 3.74 A): 4 out of 8 assignments used, quality = 1.00: * HA ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.2-2.6 3.2=100 HA VAL 126 + QG2 ILE 129 OK 62 63 100 99 3.7-4.8 4161/4163=29...(31) HA VAL 77 + QG2 ILE 80 OK 60 60 100 100 1.6-5.1 9725/3.1=47, 9668/4.0=28...(46) HA VAL 77 + QG2 ILE 129 OK 41 93 55 80 4.4-6.0 9666/10457=24...(21) HA LEU 42 - QG2 ILE 129 far 0 93 0 - 5.3-7.8 HA ILE 129 - QG2 ILE 80 far 0 70 0 - 5.7-9.0 HA LEU 42 - QG2 ILE 80 far 0 60 0 - 8.1-13.5 HA VAL 126 - QG2 ILE 80 far 0 36 0 - 8.2-13.2 Violated in 0 structures by 0.00 A. Peak 4138 from cnoeabs.peaks (2.00, 0.82, 16.92 ppm; 3.50 A): 2 out of 14 assignments used, quality = 1.00: * HB ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 81 + QG2 ILE 80 OK 65 69 95 99 2.7-5.3 11168/3.2=36, ~11784=26...(44) HG2 ARG 90 - QG2 ILE 80 far 5 51 10 - 4.4-8.7 HG2 PRO 81 - QG2 ILE 129 far 0 100 0 - 5.8-9.2 HG2 ARG 90 - QG2 ILE 129 far 0 83 0 - 6.2-8.3 HB ILE 129 - QG2 ILE 80 far 0 70 0 - 6.2-10.5 HB2 GLU 91 - QG2 ILE 129 far 0 99 0 - 6.5-8.3 HB3 MET 11 - QG2 ILE 80 far 0 51 0 - 7.8-40.0 HB2 GLN 134 - QG2 ILE 129 far 0 87 0 - 7.9-9.1 HB2 GLU 91 - QG2 ILE 80 far 0 66 0 - 8.1-9.9 HB2 GLN 134 - QG2 ILE 80 far 0 54 0 - 8.3-11.6 HB3 GLU 30 - QG2 ILE 129 far 0 89 0 - 9.0-20.4 HB2 GLU 44 - QG2 ILE 129 far 0 81 0 - 9.2-10.8 HB3 GLU 30 - QG2 ILE 80 far 0 55 0 - 9.9-27.4 Violated in 0 structures by 0.00 A. Peak 4139 from cnoeabs.peaks (0.82, 0.82, 16.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 129 + QG2 ILE 129 OK 100 100 - 100 QG2 ILE 80 + QG2 ILE 80 OK 66 66 - 100 Peak 4140 from cnoeabs.peaks (0.75, 0.82, 16.92 ppm; 2.82 A): 4 out of 14 assignments used, quality = 0.99: * HG12 ILE 129 + QG2 ILE 129 OK 98 100 100 98 1.9-3.2 3.2=69, 2.1/4163=60...(19) QG1 VAL 93 + QG2 ILE 129 OK 49 100 50 97 2.6-5.0 11322=41, 2.1/11405=28...(40) QD2 LEU 96 + QG2 ILE 129 OK 36 100 45 81 3.1-5.9 4164/4163=13...(35) QD1 LEU 96 + QG2 ILE 129 OK 23 78 40 74 3.3-5.9 3.2/9714=11...(32) QD2 LEU 43 - QG2 ILE 129 far 5 100 5 - 4.0-6.0 QD2 LEU 43 - QG2 ILE 80 far 0 68 0 - 5.0-11.0 QD1 ILE 37 - QG2 ILE 129 far 0 60 0 - 5.3-8.9 QG1 VAL 93 - QG2 ILE 80 far 0 70 0 - 5.6-9.0 HG12 ILE 129 - QG2 ILE 80 far 0 70 0 - 6.0-10.2 QD1 ILE 37 - QG2 ILE 80 far 0 35 0 - 6.0-14.9 QD1 ILE 32 - QG2 ILE 129 far 0 65 0 - 6.8-13.0 QD1 LEU 96 - QG2 ILE 80 far 0 47 0 - 6.8-11.7 QD2 LEU 96 - QG2 ILE 80 far 0 69 0 - 7.2-10.9 QD1 ILE 32 - QG2 ILE 80 far 0 38 0 - 9.4-18.2 Violated in 11 structures by 0.05 A. Peak 4141 from cnoeabs.peaks (1.74, 0.82, 16.92 ppm; 3.71 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.0-3.1 3.2=100 HB ILE 80 + QG2 ILE 80 OK 67 67 100 100 2.1-2.1 2.1=100 HG3 ARG 90 - QG2 ILE 80 poor 16 62 25 - 3.5-8.6 HG3 ARG 90 - QG2 ILE 129 far 0 96 0 - 5.4-7.7 HG13 ILE 129 - QG2 ILE 80 far 0 70 0 - 5.5-9.9 HB2 LYS 39 - QG2 ILE 80 far 0 55 0 - 5.6-12.1 HB ILE 80 - QG2 ILE 129 far 0 99 0 - 5.6-7.4 HB2 LEU 43 - QG2 ILE 129 far 0 89 0 - 5.8-8.8 HB2 LYS 39 - QG2 ILE 129 far 0 89 0 - 7.4-10.4 HB2 LEU 43 - QG2 ILE 80 far 0 55 0 - 8.1-12.9 Violated in 0 structures by 0.00 A. Peak 4142 from cnoeabs.peaks (0.64, 0.82, 16.92 ppm; 3.00 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.3-3.2 4163=100, 10491/9946=35...(37) QD1 LEU 42 + QG2 ILE 129 OK 85 99 90 95 2.5-5.2 2.1/10486=57, 9083=32...(30) QD1 LEU 42 - QG2 ILE 80 far 3 67 5 - 3.7-8.5 QD1 ILE 129 - QG2 ILE 80 far 0 70 0 - 5.6-9.8 Violated in 1 structures by 0.00 A. Peak 4143 from cnoeabs.peaks (8.04, 0.82, 16.92 ppm; 3.74 A): 2 out of 8 assignments used, quality = 1.00: * H SER 130 + QG2 ILE 129 OK 100 100 100 100 2.6-3.5 4.2=69, 7883/2.1=67...(23) H CYS 79 + QG2 ILE 80 OK 49 66 75 99 2.9-5.4 9700/2.1=54, 7066/4.0=49...(27) H TYR 76 - QG2 ILE 80 far 10 66 15 - 5.0-8.9 H TYR 76 - QG2 ILE 129 far 0 99 0 - 5.3-6.8 H CYS 79 - QG2 ILE 129 far 0 99 0 - 6.9-8.8 H SER 130 - QG2 ILE 80 far 0 70 0 - 7.1-11.1 H CYS 125 - QG2 ILE 129 far 0 99 0 - 7.7-8.7 H LEU 48 - QG2 ILE 129 far 0 97 0 - 8.5-11.6 Violated in 0 structures by 0.00 A. Peak 4144 from cnoeabs.peaks (8.00, 0.75, 30.23 ppm; 6.21 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.9-4.0 4.8=100 H SER 94 + HG12 ILE 129 OK 96 97 100 100 5.2-6.9 ~11710=67, 7282/11717=64...(12) Violated in 0 structures by 0.00 A. Peak 4145 from cnoeabs.peaks (3.46, 0.75, 30.23 ppm; 5.06 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.2-3.2 3.7=100 HA VAL 126 + HG12 ILE 129 OK 63 63 100 100 3.2-4.9 ~11692=49, 10402/2.1=47...(24) HA VAL 77 - HG12 ILE 129 far 5 93 5 - 6.4-9.7 HA LEU 42 - HG12 ILE 129 far 0 93 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 4146 from cnoeabs.peaks (2.00, 0.75, 30.23 ppm; 5.68 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 GLU 91 + HG12 ILE 129 OK 48 99 65 74 6.2-7.5 11388/10483=54...(5) HG2 ARG 90 - HG12 ILE 129 far 0 83 0 - 7.3-9.5 HG2 PRO 81 - HG12 ILE 129 far 0 100 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 4147 from cnoeabs.peaks (0.82, 0.75, 30.23 ppm; 4.26 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.9-3.2 3.2=100 QG1 VAL 133 + HG12 ILE 129 OK 63 92 70 97 5.0-6.4 11768/1.8=74...(18) QG2 ILE 80 - HG12 ILE 129 far 0 99 0 - 6.0-10.2 QD1 LEU 70 - HG12 ILE 129 far 0 100 0 - 6.6-9.7 QD1 LEU 122 - HG12 ILE 129 far 0 92 0 - 6.6-10.8 QD2 LEU 49 - HG12 ILE 129 far 0 71 0 - 6.9-9.4 HG13 ILE 80 - HG12 ILE 129 far 0 100 0 - 7.2-11.2 QD1 LEU 53 - HG12 ILE 129 far 0 63 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 4148 from cnoeabs.peaks (0.75, 0.75, 30.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 129 + HG12 ILE 129 OK 100 100 - 100 Peak 4149 from cnoeabs.peaks (1.74, 0.75, 30.23 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 90 - HG12 ILE 129 far 0 96 0 - 6.8-8.9 HB ILE 80 - HG12 ILE 129 far 0 99 0 - 8.7-11.6 HB2 LEU 43 - HG12 ILE 129 far 0 89 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 4150 from cnoeabs.peaks (0.64, 0.75, 30.23 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 42 - HG12 ILE 129 far 5 99 5 - 5.3-9.1 Violated in 0 structures by 0.00 A. Peak 4151 from cnoeabs.peaks (8.04, 0.75, 30.23 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H SER 130 + HG12 ILE 129 OK 100 100 100 100 4.0-5.1 7883/2.9=100...(14) H CYS 125 + HG12 ILE 129 OK 84 99 85 100 6.1-8.4 ~10469=80, ~10379=75...(9) H TYR 76 - HG12 ILE 129 far 10 99 10 - 7.3-11.1 H CYS 79 - HG12 ILE 129 far 0 99 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 4152 from cnoeabs.peaks (8.00, 1.74, 30.23 ppm; 5.47 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.1-4.1 4.8=100 H SER 94 + HG13 ILE 129 OK 94 97 100 97 5.3-6.7 9220/11317=54, ~11710=53...(9) Violated in 0 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (3.46, 1.74, 30.23 ppm; 4.84 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.3-3.5 3.7=100 HA VAL 126 + HG13 ILE 129 OK 63 63 100 100 3.8-4.9 10402/2.1=46, ~11692=45...(27) HA VAL 77 - HG13 ILE 129 far 5 93 5 - 6.2-9.5 HA LEU 42 - HG13 ILE 129 far 0 93 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 4154 from cnoeabs.peaks (2.00, 1.74, 30.23 ppm; 4.34 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 GLU 91 - HG13 ILE 129 far 0 99 0 - 6.1-7.7 HG2 ARG 90 - HG13 ILE 129 far 0 83 0 - 6.9-9.0 HG2 PRO 81 - HG13 ILE 129 far 0 100 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 4155 from cnoeabs.peaks (0.82, 1.74, 30.23 ppm; 4.50 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.0-3.1 3.2=100 QG1 VAL 133 + HG13 ILE 129 OK 87 92 95 99 4.5-6.4 11768=83, 4131/2.9=35...(23) QG2 ILE 80 - HG13 ILE 129 far 15 99 15 - 5.5-9.9 QD1 LEU 70 - HG13 ILE 129 far 0 100 0 - 6.3-9.5 HG13 ILE 80 - HG13 ILE 129 far 0 100 0 - 7.0-11.6 QD1 LEU 122 - HG13 ILE 129 far 0 92 0 - 7.3-10.3 QD2 LEU 49 - HG13 ILE 129 far 0 71 0 - 7.4-9.7 QD1 LEU 53 - HG13 ILE 129 far 0 63 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 4156 from cnoeabs.peaks (0.75, 1.74, 30.23 ppm; 4.14 A): 4 out of 7 assignments used, quality = 1.00: * HG12 ILE 129 + HG13 ILE 129 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 93 + HG13 ILE 129 OK 95 100 95 100 2.5-6.4 ~10487=56, ~10487=54...(33) QD2 LEU 96 + HG13 ILE 129 OK 79 100 80 99 2.1-5.8 11807/10406=28...(39) QD1 LEU 96 + HG13 ILE 129 OK 50 78 65 98 3.6-6.6 ~11354=25, ~11919=23...(38) QD2 LEU 43 - HG13 ILE 129 far 0 100 0 - 7.2-8.6 QD1 ILE 37 - HG13 ILE 129 far 0 60 0 - 8.5-12.5 QD1 ILE 32 - HG13 ILE 129 far 0 65 0 - 8.8-16.7 Violated in 0 structures by 0.00 A. Peak 4157 from cnoeabs.peaks (1.74, 1.74, 30.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 129 + HG13 ILE 129 OK 100 100 - 100 Peak 4158 from cnoeabs.peaks (0.64, 1.74, 30.23 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 42 - HG13 ILE 129 far 5 99 5 - 5.2-8.5 Violated in 0 structures by 0.00 A. Peak 4159 from cnoeabs.peaks (8.04, 1.74, 30.23 ppm; 5.46 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + HG13 ILE 129 OK 100 100 100 100 4.1-5.1 7883/2.9=94, 4143/3.2=88...(16) H CYS 125 - HG13 ILE 129 far 5 99 5 - 6.4-8.5 H TYR 76 - HG13 ILE 129 far 0 99 0 - 7.5-11.1 H CYS 79 - HG13 ILE 129 far 0 99 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 4160 from cnoeabs.peaks (8.00, 0.64, 14.39 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + QD1 ILE 129 OK 100 100 100 100 1.7-3.4 7873=100, 7872/2.1=74...(26) H SER 94 + QD1 ILE 129 OK 96 97 100 100 4.3-5.4 3.6/10461=60...(17) Violated in 0 structures by 0.00 A. Peak 4161 from cnoeabs.peaks (3.46, 0.64, 14.39 ppm; 3.70 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.9-3.9 4123=77, 3.2/4163=69...(33) HA VAL 126 + QD1 ILE 129 OK 62 63 100 99 1.6-2.4 3.2/11692=45, 10402=44...(28) HA VAL 77 - QD1 ILE 129 far 0 93 0 - 6.6-8.9 HA LEU 42 - QD1 ILE 129 far 0 93 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 4162 from cnoeabs.peaks (2.00, 0.64, 14.39 ppm; 3.66 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.0-2.3 3.2=100 HB2 GLU 91 - QD1 ILE 129 far 0 99 0 - 6.0-7.3 HG2 ARG 90 - QD1 ILE 129 far 0 83 0 - 6.7-8.9 HB3 LEU 53 - QD1 ILE 129 far 0 98 0 - 9.1-11.4 HG2 PRO 81 - QD1 ILE 129 far 0 100 0 - 9.2-12.4 HB3 GLU 30 - QD1 ILE 129 far 0 89 0 - 9.4-19.5 Violated in 0 structures by 0.00 A. Peak 4163 from cnoeabs.peaks (0.82, 0.64, 14.39 ppm; 2.87 A): 1 out of 9 assignments used, quality = 1.00: * QG2 ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.3-3.2 3.0=86, 9946/10491=32...(37) QD1 LEU 70 - QD1 ILE 129 poor 20 100 20 - 4.1-6.5 QD1 LEU 122 - QD1 ILE 129 far 0 92 0 - 4.4-7.3 QG1 VAL 133 - QD1 ILE 129 far 0 92 0 - 4.5-5.9 QD2 LEU 49 - QD1 ILE 129 far 0 71 0 - 4.7-6.6 QG2 ILE 80 - QD1 ILE 129 far 0 99 0 - 5.6-9.8 QD1 LEU 53 - QD1 ILE 129 far 0 63 0 - 6.4-8.4 HG13 ILE 80 - QD1 ILE 129 far 0 100 0 - 7.5-11.0 QD2 LEU 119 - QD1 ILE 129 far 0 81 0 - 9.5-11.4 Violated in 3 structures by 0.03 A. Peak 4164 from cnoeabs.peaks (0.75, 0.64, 14.39 ppm; 2.70 A): 4 out of 8 assignments used, quality = 1.00: * HG12 ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 96 + QD1 ILE 129 OK 93 100 100 93 1.6-3.8 11806/10461=18...(45) QG1 VAL 93 + QD1 ILE 129 OK 88 100 90 98 1.9-5.1 2.1/10487=44...(40) QD1 LEU 96 + QD1 ILE 129 OK 68 78 100 87 1.6-4.0 4.6/9982=14...(44) QD2 LEU 43 - QD1 ILE 129 far 0 100 0 - 6.2-7.4 QD1 ILE 37 - QD1 ILE 129 far 0 60 0 - 6.8-11.1 QD1 ILE 32 - QD1 ILE 129 far 0 65 0 - 7.0-12.6 QD2 LEU 103 - QD1 ILE 129 far 0 98 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 4165 from cnoeabs.peaks (1.74, 0.64, 14.39 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 90 - QD1 ILE 129 far 0 96 0 - 6.4-8.0 HB2 LEU 43 - QD1 ILE 129 far 0 89 0 - 8.1-10.6 HB ILE 80 - QD1 ILE 129 far 0 99 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 4166 from cnoeabs.peaks (0.64, 0.64, 14.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 129 + QD1 ILE 129 OK 100 100 - 100 Peak 4167 from cnoeabs.peaks (8.04, 0.64, 14.39 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: * H SER 130 + QD1 ILE 129 OK 100 100 100 100 3.4-4.4 4143/4163=58...(22) H CYS 125 + QD1 ILE 129 OK 89 99 95 95 4.9-5.5 2.9/10469=44...(14) H TYR 76 - QD1 ILE 129 far 0 99 0 - 6.9-9.2 H LEU 48 - QD1 ILE 129 far 0 97 0 - 9.3-11.4 H CYS 79 - QD1 ILE 129 far 0 99 0 - 9.4-11.9 Violated in 8 structures by 0.04 A. Peak 4168 from cnoeabs.peaks (8.04, 3.78, 62.15 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * H SER 130 + HA SER 130 OK 100 100 100 100 2.7-2.8 2.9=100 H LEU 48 - HA SER 130 far 0 97 0 - 7.9-11.5 H TYR 76 - HA SER 130 far 0 99 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 4169 from cnoeabs.peaks (3.78, 3.78, 62.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 130 + HA SER 130 OK 100 100 - 100 Peak 4170 from cnoeabs.peaks (3.82, 3.78, 62.15 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 130 + HA SER 130 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 40 - HA SER 130 far 0 83 0 - 7.0-9.7 HD2 PRO 81 - HA SER 130 far 0 57 0 - 7.3-10.0 HB2 SER 50 - HA SER 130 far 0 90 0 - 7.3-11.5 HA ARG 90 - HA SER 130 far 0 63 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4171 from cnoeabs.peaks (3.77, 3.78, 62.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HA SER 130 + HA SER 130 OK 99 99 - 100 Reference assignment not found: HB3 SER 130 - HA SER 130 Peak 4172 from cnoeabs.peaks (8.27, 3.78, 62.15 ppm; 4.47 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 131 + HA SER 130 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 43 + HA SER 130 OK 82 89 95 97 4.6-6.4 4.4/11747=53, 6505=28...(21) H GLU 40 - HA SER 130 far 0 97 0 - 7.6-10.9 H VAL 126 - HA SER 130 far 0 83 0 - 8.6-9.5 H LEU 69 - HA SER 130 far 0 63 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (8.14, 3.78, 62.15 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 133 + HA SER 130 OK 100 100 100 100 3.3-3.7 7935/11861=86...(24) Violated in 0 structures by 0.00 A. Peak 4174 from cnoeabs.peaks (2.19, 3.78, 62.15 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 133 + HA SER 130 OK 100 100 100 100 4.0-4.6 2.1/11861=87...(24) HB3 LEU 69 - HA SER 130 far 0 71 0 - 6.8-10.2 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (3.97, 3.82, 62.61 ppm; 3.65 A): 3 out of 11 assignments used, quality = 0.98: * HA GLN 127 + HB2 SER 130 OK 96 100 100 96 2.8-3.8 4181/1.8=72...(18) HA SER 50 + HB2 SER 50 OK 40 40 100 100 2.2-2.6 3.0=100 HA GLN 127 + HB2 SER 50 OK 39 73 75 72 2.7-6.4 4037=22, 3.0/1870=13...(17) HB2 SER 51 - HB2 SER 50 far 0 40 0 - 5.4-7.2 HB3 SER 51 - HB2 SER 50 far 0 65 0 - 5.5-6.9 HA SER 50 - HB2 SER 130 far 0 65 0 - 6.9-10.1 HB2 SER 124 - HB2 SER 50 far 0 42 0 - 8.2-11.2 HB2 SER 51 - HB2 SER 130 far 0 65 0 - 8.9-14.3 HA2 GLY 17 - HB2 SER 50 far 0 69 0 - 9.1-35.4 HB3 SER 51 - HB2 SER 130 far 0 96 0 - 9.6-13.1 HA THR 65 - HB2 SER 50 far 0 73 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 4176 from cnoeabs.peaks (8.04, 3.82, 62.61 ppm; 3.87 A): 1 out of 11 assignments used, quality = 1.00: * H SER 130 + HB2 SER 130 OK 100 100 100 100 2.1-2.7 7889=100, 7891/4.6=40...(16) H LEU 48 - HB2 SER 50 far 7 67 10 - 5.2-6.7 H ALA 52 - HB2 SER 50 far 0 70 0 - 5.5-6.1 H SER 130 - HB2 SER 50 far 0 73 0 - 5.9-9.8 H LEU 48 - HB2 SER 130 far 0 97 0 - 6.2-9.2 H CYS 125 - HB2 SER 50 far 0 69 0 - 8.1-10.0 H CYS 125 - HB2 SER 130 far 0 99 0 - 8.9-10.1 H ALA 16 - HB2 SER 50 far 0 71 0 - 9.6-37.8 H VAL 20 - HB2 SER 50 far 0 38 0 - 9.6-35.0 H TYR 76 - HB2 SER 130 far 0 99 0 - 9.6-12.4 H ALA 52 - HB2 SER 130 far 0 99 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 4177 from cnoeabs.peaks (3.78, 3.82, 62.61 ppm; 4.35 A): 3 out of 8 assignments used, quality = 1.00: * HA SER 130 + HB2 SER 130 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 SER 130 + HB2 SER 130 OK 99 99 100 100 1.8-1.8 1.8=100 HA LEU 43 + HB2 SER 130 OK 97 100 100 97 3.1-4.3 3.9/11720=60...(18) HB3 SER 130 - HB2 SER 50 poor 11 69 45 35 4.4-8.7 10508/11718=17...(3) HA LEU 43 - HB2 SER 50 far 0 73 0 - 6.7-9.9 HA SER 130 - HB2 SER 50 far 0 73 0 - 7.3-11.5 HA VAL 133 - HB2 SER 130 far 0 92 0 - 7.8-8.5 HB2 SER 9 - HB2 SER 50 far 0 50 0 - 9.0-49.5 Violated in 0 structures by 0.00 A. Peak 4178 from cnoeabs.peaks (3.82, 3.82, 62.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 130 + HB2 SER 130 OK 100 100 - 100 HB2 SER 50 + HB2 SER 50 OK 60 60 - 100 Peak 4179 from cnoeabs.peaks (3.77, 3.82, 62.61 ppm; 3.55 A): 3 out of 8 assignments used, quality = 1.00: * HB3 SER 130 + HB2 SER 130 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 130 + HB2 SER 130 OK 99 99 100 100 2.5-3.0 3.0=100 HA LEU 43 + HB2 SER 130 OK 86 99 100 87 3.1-4.3 3.9/11720=40...(17) HB3 SER 130 - HB2 SER 50 far 11 73 15 - 4.4-8.7 HA LEU 43 - HB2 SER 50 far 0 70 0 - 6.7-9.9 HA SER 130 - HB2 SER 50 far 0 69 0 - 7.3-11.5 HA VAL 133 - HB2 SER 130 far 0 99 0 - 7.8-8.5 HB2 SER 9 - HB2 SER 50 far 0 35 0 - 9.0-49.5 Violated in 0 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (8.27, 3.82, 62.61 ppm; 4.21 A): 2 out of 10 assignments used, quality = 0.99: * H ASP 131 + HB2 SER 130 OK 99 100 100 99 3.1-4.0 4.6=76, 7891/7889=59...(19) H LEU 43 + HB2 SER 130 OK 24 89 30 89 4.6-6.9 4.4/11720=49...(11) H ASP 131 - HB2 SER 50 far 0 73 0 - 6.6-10.2 H VAL 126 - HB2 SER 130 far 0 83 0 - 6.8-8.5 H VAL 126 - HB2 SER 50 far 0 53 0 - 7.2-9.5 H LEU 123 - HB2 SER 50 far 0 66 0 - 7.5-10.2 H LEU 69 - HB2 SER 130 far 0 63 0 - 8.0-10.6 H GLU 40 - HB2 SER 130 far 0 97 0 - 8.7-11.9 H LEU 69 - HB2 SER 50 far 0 38 0 - 9.3-13.5 H LEU 43 - HB2 SER 50 far 0 58 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 4181 from cnoeabs.peaks (3.97, 3.77, 62.61 ppm; 4.40 A): 1 out of 4 assignments used, quality = 0.97: * HA GLN 127 + HB3 SER 130 OK 97 100 100 97 3.3-4.2 4038=56, 4036/3.9=52...(13) HA SER 50 - HB3 SER 130 far 0 65 0 - 6.6-10.3 HB3 SER 51 - HB3 SER 130 far 0 96 0 - 9.1-13.2 HB2 SER 51 - HB3 SER 130 far 0 65 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 4182 from cnoeabs.peaks (8.04, 3.77, 62.61 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + HB3 SER 130 OK 100 100 100 100 2.4-3.5 3.9=100 H LEU 48 - HB3 SER 130 far 0 97 0 - 6.0-9.2 H CYS 125 - HB3 SER 130 far 0 99 0 - 9.7-10.7 H ALA 52 - HB3 SER 130 far 0 99 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 4183 from cnoeabs.peaks (3.78, 3.77, 62.61 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HB3 SER 130 + HB3 SER 130 OK 99 99 - 100 Reference assignment not found: HA SER 130 - HB3 SER 130 Peak 4184 from cnoeabs.peaks (3.82, 3.77, 62.61 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 130 + HB3 SER 130 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 50 - HB3 SER 130 far 9 90 10 - 4.4-8.7 HA GLU 40 - HB3 SER 130 far 0 83 0 - 7.0-10.6 HA LEU 123 - HB3 SER 130 far 0 68 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 4185 from cnoeabs.peaks (3.77, 3.77, 62.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 130 + HB3 SER 130 OK 100 100 - 100 Peak 4187 from cnoeabs.peaks (8.27, 4.31, 56.79 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 131 + HA ASP 131 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 43 - HA ASP 131 far 0 89 0 - 7.1-9.8 H GLU 40 - HA ASP 131 far 0 97 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 4188 from cnoeabs.peaks (4.31, 4.31, 56.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 131 + HA ASP 131 OK 100 100 - 100 Peak 4189 from cnoeabs.peaks (2.77, 4.31, 56.79 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HA ASP 131 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 CYS 73 - HA ASP 131 far 0 73 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 4190 from cnoeabs.peaks (2.87, 4.31, 56.79 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 131 + HA ASP 131 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ASP 47 - HA ASP 131 far 0 76 0 - 6.8-11.1 Violated in 0 structures by 0.00 A. Peak 4191 from cnoeabs.peaks (8.47, 4.31, 56.79 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + HA ASP 131 OK 100 100 100 100 3.5-3.5 3.6=100 H ASP 47 - HA ASP 131 far 0 92 0 - 7.6-10.1 Violated in 0 structures by 0.00 A. Peak 4192 from cnoeabs.peaks (7.49, 4.31, 56.79 ppm; 5.04 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HA ASP 131 OK 100 100 100 100 3.5-4.1 7939=100, 7949/4194=70...(12) HE22 GLN 127 - HA ASP 131 far 0 98 0 - 6.6-11.4 H LEU 42 - HA ASP 131 far 0 100 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 4193 from cnoeabs.peaks (2.02, 4.31, 56.79 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.98: * HB2 GLN 134 + HA ASP 131 OK 96 100 100 96 3.7-5.3 1.8/4194=71, 4266=50...(13) HG3 ARG 135 + HA ASP 131 OK 56 96 90 65 4.6-7.6 11783/4.9=36...(10) HB ILE 129 - HA ASP 131 far 0 87 0 - 7.2-7.6 HG2 PRO 81 - HA ASP 131 far 0 78 0 - 8.5-11.4 HB3 GLU 40 - HA ASP 131 far 0 92 0 - 9.8-14.7 HB2 GLU 44 - HA ASP 131 far 0 100 0 - 9.8-12.3 Violated in 12 structures by 0.10 A. Peak 4194 from cnoeabs.peaks (2.33, 4.31, 56.79 ppm; 4.32 A): 1 out of 4 assignments used, quality = 0.96: * HB3 GLN 134 + HA ASP 131 OK 96 100 100 96 4.0-5.5 4276=58, 1.8/4266=55...(11) HG2 GLN 127 - HA ASP 131 far 0 71 0 - 8.9-10.0 HG2 GLU 44 - HA ASP 131 far 0 99 0 - 9.6-13.1 HG2 GLU 40 - HA ASP 131 far 0 92 0 - 9.7-16.2 Violated in 11 structures by 0.28 A. Peak 4195 from cnoeabs.peaks (4.20, 2.77, 40.87 ppm; 3.94 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 128 + HB2 ASP 131 OK 100 100 100 100 2.7-3.8 4085=100, 4086/1.8=81...(18) HA ALA 34 - HB2 TYR 76 far 4 42 10 - 4.3-12.3 HB3 SER 38 - HB2 TYR 76 far 0 46 0 - 6.6-11.5 HB THR 18 - HB2 TYR 76 far 0 77 0 - 7.4-36.0 HA GLU 30 - HB2 TYR 76 far 0 40 0 - 7.6-22.8 HA ALA 88 - HB2 ASP 131 far 0 99 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 4196 from cnoeabs.peaks (8.27, 2.77, 40.87 ppm; 3.62 A): 1 out of 7 assignments used, quality = 1.00: * H ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.3-3.3 7903=100, 7904/1.8=82...(17) H LEU 43 - HB2 TYR 76 far 0 63 0 - 7.0-9.1 H GLU 40 - HB2 TYR 76 far 0 72 0 - 7.6-10.4 H LEU 43 - HB2 ASP 131 far 0 89 0 - 8.8-12.1 H VAL 126 - HB2 ASP 131 far 0 83 0 - 9.0-10.6 H ASP 131 - HB2 TYR 76 far 0 78 0 - 9.2-13.5 H LEU 69 - HB2 TYR 76 far 0 42 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 4197 from cnoeabs.peaks (4.31, 2.77, 40.87 ppm; 3.74 A): 3 out of 8 assignments used, quality = 1.00: * HA ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.6-3.0 3.0=100 HA TYR 76 + HB2 TYR 76 OK 77 77 100 100 2.2-3.0 3.0=100 HA2 GLY 75 + HB2 TYR 76 OK 29 72 45 90 4.9-5.7 4.9=45, 3.5/7028=33...(15) HA SER 74 - HB2 TYR 76 far 0 63 0 - 5.6-8.0 HA THR 18 - HB2 TYR 76 far 0 64 0 - 6.9-34.3 HA LEU 69 - HB2 TYR 76 far 0 52 0 - 7.2-9.0 HA PRO 81 - HB2 TYR 76 far 0 40 0 - 9.3-11.4 HA ALA 12 - HB2 TYR 76 far 0 52 0 - 9.7-39.2 Violated in 0 structures by 0.00 A. Peak 4198 from cnoeabs.peaks (2.77, 2.77, 40.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HB2 ASP 131 OK 100 100 - 100 HB2 TYR 76 + HB2 TYR 76 OK 69 69 - 100 Peak 4199 from cnoeabs.peaks (2.87, 2.77, 40.87 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 131 + HB2 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 47 - HB2 ASP 131 far 0 76 0 - 7.8-12.8 Violated in 0 structures by 0.00 A. Peak 4200 from cnoeabs.peaks (8.47, 2.77, 40.87 ppm; 3.97 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 132 + HB2 ASP 131 OK 100 100 100 100 2.9-3.8 7914=100, 7915/1.8=80...(23) H ASP 47 - HB2 ASP 131 far 0 92 0 - 8.0-11.6 H ALA 12 - HB2 TYR 76 far 0 42 0 - 8.7-40.3 H VAL 132 - HB2 TYR 76 far 0 78 0 - 8.8-12.9 H LEU 70 - HB2 TYR 76 far 0 75 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 4201 from cnoeabs.peaks (4.20, 2.87, 40.87 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HB3 ASP 131 OK 100 100 100 100 2.5-3.6 4086=100, 4195/1.8=75...(16) HA ALA 88 - HB3 ASP 131 far 0 99 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 4202 from cnoeabs.peaks (8.27, 2.87, 40.87 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 131 + HB3 ASP 131 OK 100 100 100 100 2.1-2.9 7904=100, 7903/1.8=81...(17) H LEU 43 - HB3 ASP 131 far 0 89 0 - 8.3-11.6 H VAL 126 - HB3 ASP 131 far 0 83 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 4203 from cnoeabs.peaks (4.31, 2.87, 40.87 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 131 + HB3 ASP 131 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4204 from cnoeabs.peaks (2.77, 2.87, 40.87 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HB3 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 CYS 73 - HB3 ASP 131 far 0 73 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4205 from cnoeabs.peaks (2.87, 2.87, 40.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 131 + HB3 ASP 131 OK 100 100 - 100 Peak 4206 from cnoeabs.peaks (8.47, 2.87, 40.87 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + HB3 ASP 131 OK 100 100 100 100 2.8-3.8 7915=100, 7914/1.8=85...(25) H ASP 47 - HB3 ASP 131 far 0 92 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 4207 from cnoeabs.peaks (8.47, 3.52, 66.53 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 132 + HA VAL 132 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 4208 from cnoeabs.peaks (3.52, 3.52, 66.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + HA VAL 132 OK 100 100 - 100 Peak 4209 from cnoeabs.peaks (2.28, 3.52, 66.53 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 132 + HA VAL 132 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PRO 81 - HA VAL 132 far 0 71 0 - 6.6-10.8 Violated in 0 structures by 0.00 A. Peak 4210 from cnoeabs.peaks (1.13, 3.52, 66.53 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 132 + HA VAL 132 OK 100 100 100 100 1.9-2.6 3.2=100 QG2 VAL 132 + HA VAL 132 OK 99 99 100 100 2.6-3.2 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 100 0 - 7.7-12.9 HG3 LYS 39 - HA VAL 132 far 0 68 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 4211 from cnoeabs.peaks (1.14, 3.52, 66.53 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 132 + HA VAL 132 OK 100 100 100 100 2.6-3.2 3.2=100 QG1 VAL 132 + HA VAL 132 OK 99 99 100 100 1.9-2.6 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 100 0 - 7.7-12.9 HG3 LYS 39 - HA VAL 132 far 0 87 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 4212 from cnoeabs.peaks (8.14, 3.52, 66.53 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 133 + HA VAL 132 OK 100 100 100 100 3.5-3.6 3.6=100 H PHE 87 - HA VAL 132 far 0 60 0 - 8.2-10.3 H GLU 91 - HA VAL 132 far 0 83 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 4213 from cnoeabs.peaks (3.46, 2.28, 31.51 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 129 + HB VAL 132 OK 100 100 100 100 3.2-4.8 4126=100, 10477/2.1=86...(24) HA VAL 77 - HB VAL 132 far 0 93 0 - 6.5-9.9 HA VAL 126 - HB VAL 132 far 0 63 0 - 8.6-10.5 Violated in 8 structures by 0.06 A. Peak 4214 from cnoeabs.peaks (8.47, 2.28, 31.51 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 132 + HB VAL 132 OK 100 100 100 100 2.9-3.6 7917=100, 4226/2.1=49...(23) H ASN 116 - HB3 PRO 113 far 0 43 0 - 5.4-7.7 H LEU 100 - HB3 PRO 113 far 0 62 0 - 8.1-18.7 H ALA 12 - HB3 PRO 113 far 0 39 0 - 9.8-50.3 Violated in 9 structures by 0.01 A. Peak 4215 from cnoeabs.peaks (3.52, 2.28, 31.51 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + HB VAL 132 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4216 from cnoeabs.peaks (2.28, 2.28, 31.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 132 + HB VAL 132 OK 100 100 - 100 HB3 PRO 113 + HB3 PRO 113 OK 72 72 - 100 Peak 4217 from cnoeabs.peaks (1.13, 2.28, 31.51 ppm; 2.94 A): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 132 + HB VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 132 + HB VAL 132 OK 99 99 100 100 2.1-2.1 2.1=100 QG2 THR 115 - HB3 PRO 113 far 7 73 10 - 4.2-6.1 HB3 LEU 62 - HB3 PRO 113 far 3 64 5 - 4.4-11.7 HG2 LYS 39 - HB VAL 132 far 0 100 0 - 8.2-13.0 HG3 LYS 39 - HB VAL 132 far 0 68 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 4218 from cnoeabs.peaks (1.14, 2.28, 31.51 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 132 + HB VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 132 + HB VAL 132 OK 99 99 100 100 2.1-2.1 2.1=100 QG2 THR 115 - HB3 PRO 113 poor 15 73 20 - 4.2-6.1 HB3 LEU 62 - HB3 PRO 113 far 4 72 5 - 4.4-11.7 HG2 LYS 39 - HB VAL 132 far 0 100 0 - 8.2-13.0 HG3 LYS 39 - HB VAL 132 far 0 87 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 4219 from cnoeabs.peaks (8.14, 2.28, 31.51 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 133 + HB VAL 132 OK 100 100 100 100 2.5-4.2 7929=100, 3.3/7917=67...(23) H PHE 87 - HB VAL 132 far 0 60 0 - 6.1-8.1 H GLU 91 - HB VAL 132 far 0 83 0 - 7.4-9.5 H ALA 15 - HB3 PRO 113 far 0 73 0 - 8.1-46.0 H ASN 121 - HB3 PRO 113 far 0 47 0 - 9.3-16.0 Violated in 3 structures by 0.02 A. Peak 4220 from cnoeabs.peaks (8.47, 1.13, 22.77 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 132 + QG1 VAL 132 OK 100 100 100 100 2.0-3.7 4.0=85, 7917/2.1=80...(35) H VAL 132 + QG2 VAL 132 OK 54 54 100 100 1.6-2.6 4.0=83, 7917/2.1=80...(35) H ASP 47 - QG2 VAL 132 far 0 44 0 - 8.8-11.8 H ASP 47 - QG1 VAL 132 far 0 92 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 4221 from cnoeabs.peaks (3.52, 1.13, 22.77 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 132 + QG1 VAL 132 OK 100 100 100 100 1.9-2.6 3.2=100 HA VAL 132 + QG2 VAL 132 OK 54 54 100 100 2.6-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 4222 from cnoeabs.peaks (2.28, 1.13, 22.77 ppm; 3.00 A): 2 out of 4 assignments used, quality = 1.00: * HB VAL 132 + QG1 VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 132 + QG2 VAL 132 OK 54 54 100 100 2.1-2.1 2.1=100 HB2 PRO 81 - QG2 VAL 132 far 0 31 0 - 6.5-10.7 HB2 PRO 81 - QG1 VAL 132 far 0 71 0 - 7.1-10.4 Violated in 0 structures by 0.00 A. Peak 4223 from cnoeabs.peaks (1.13, 1.13, 22.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 132 + QG1 VAL 132 OK 100 100 - 100 QG2 VAL 132 + QG2 VAL 132 OK 51 51 - 100 Peak 4224 from cnoeabs.peaks (1.14, 1.13, 22.77 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: QG1 VAL 132 + QG1 VAL 132 OK 99 99 - 100 QG2 VAL 132 + QG2 VAL 132 OK 54 54 - 100 Reference assignment not found: QG2 VAL 132 - QG1 VAL 132 Peak 4225 from cnoeabs.peaks (8.14, 1.13, 22.77 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 132 OK 100 100 100 100 3.5-4.2 4.2=83, 7929/2.1=76...(36) H VAL 133 + QG2 VAL 132 OK 54 54 100 100 1.8-3.3 4.4=76, 7929/2.1=76...(40) H PHE 87 - QG1 VAL 132 poor 15 60 25 - 4.9-7.7 H PHE 87 - QG2 VAL 132 far 0 26 0 - 5.8-7.9 H GLU 91 - QG2 VAL 132 far 0 38 0 - 5.8-7.2 H GLU 91 - QG1 VAL 132 far 0 83 0 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 4226 from cnoeabs.peaks (8.47, 1.14, 23.15 ppm; 3.25 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 132 + QG2 VAL 132 OK 100 100 100 100 1.6-2.6 7917/2.1=63, 4.0=52...(35) H VAL 132 + QG1 VAL 132 OK 53 54 100 99 2.0-3.7 7917/2.1=63, 4.0=54...(33) H ASP 47 - QG2 VAL 132 far 0 92 0 - 8.8-11.8 H ASP 47 - QG1 VAL 132 far 0 44 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 4227 from cnoeabs.peaks (3.52, 1.14, 23.15 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 132 + QG2 VAL 132 OK 100 100 100 100 2.6-3.2 3.2=100 HA VAL 132 + QG1 VAL 132 OK 54 54 100 100 1.9-2.6 3.2=100 Violated in 0 structures by 0.00 A. Peak 4228 from cnoeabs.peaks (2.28, 1.14, 23.15 ppm; 3.22 A): 2 out of 4 assignments used, quality = 1.00: * HB VAL 132 + QG2 VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 132 + QG1 VAL 132 OK 54 54 100 100 2.1-2.1 2.1=100 HB2 PRO 81 - QG2 VAL 132 far 0 71 0 - 6.5-10.7 HB2 PRO 81 - QG1 VAL 132 far 0 31 0 - 7.1-10.4 Violated in 0 structures by 0.00 A. Peak 4229 from cnoeabs.peaks (1.13, 1.14, 23.15 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 132 + QG2 VAL 132 OK 99 99 - 100 QG1 VAL 132 + QG1 VAL 132 OK 54 54 - 100 Reference assignment not found: QG1 VAL 132 - QG2 VAL 132 Peak 4230 from cnoeabs.peaks (1.14, 1.14, 23.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 132 + QG2 VAL 132 OK 100 100 - 100 QG1 VAL 132 + QG1 VAL 132 OK 51 51 - 100 Peak 4231 from cnoeabs.peaks (8.14, 1.14, 23.15 ppm; 4.22 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 133 + QG2 VAL 132 OK 100 100 100 100 1.8-3.3 4.4=90, 7929/2.1=82...(40) H VAL 133 + QG1 VAL 132 OK 54 54 100 100 3.5-4.2 4.2=99, 7929/2.1=82...(34) H PHE 87 - QG1 VAL 132 poor 10 26 40 - 4.9-7.7 H PHE 87 - QG2 VAL 132 far 0 60 0 - 5.8-7.9 H GLU 91 - QG2 VAL 132 far 0 83 0 - 5.8-7.2 H GLU 91 - QG1 VAL 132 far 0 38 0 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 4232 from cnoeabs.peaks (8.14, 3.77, 65.08 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 133 + HA VAL 133 OK 100 100 100 100 2.8-2.9 3.0=100 H PHE 87 - HA VAL 133 far 0 60 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 4233 from cnoeabs.peaks (3.77, 3.77, 65.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 133 + HA VAL 133 OK 100 100 - 100 Peak 4234 from cnoeabs.peaks (2.19, 3.77, 65.08 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 133 + HA VAL 133 OK 100 100 100 100 2.2-2.3 3.0=100 HB2 GLN 82 - HA VAL 133 poor 6 96 25 24 5.0-10.1 9804/11929=10...(5) Violated in 0 structures by 0.00 A. Peak 4235 from cnoeabs.peaks (0.84, 3.77, 65.08 ppm; 3.48 A): 4 out of 4 assignments used, quality = 1.00: * QG1 VAL 133 + HA VAL 133 OK 100 100 100 100 2.4-3.2 3.2=100 QG2 ILE 80 + HA VAL 133 OK 67 76 95 93 3.0-6.4 3.1/10590=34, ~10588=16...(38) HG13 ILE 80 + HA VAL 133 OK 63 95 70 96 2.6-7.5 2.1/10590=39, ~10588=24...(30) QG2 ILE 129 + HA VAL 133 OK 29 92 35 90 4.4-5.5 7934/3.0=25...(25) Violated in 0 structures by 0.00 A. Peak 4236 from cnoeabs.peaks (1.04, 3.77, 65.08 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + HA VAL 133 OK 100 100 100 100 2.5-3.2 3.2=100 QG1 VAL 77 - HA VAL 133 far 0 83 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 4237 from cnoeabs.peaks (7.49, 3.77, 65.08 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 134 + HA VAL 133 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 42 - HA VAL 133 far 0 100 0 - 7.7-11.2 Violated in 0 structures by 0.00 A. Peak 4239 from cnoeabs.peaks (8.14, 2.19, 31.57 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 133 + HB VAL 133 OK 100 100 100 100 2.9-3.6 4.0=100 H PHE 87 - HB VAL 133 far 0 60 0 - 8.7-11.4 H GLU 91 - HB VAL 133 far 0 83 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 4240 from cnoeabs.peaks (3.77, 2.19, 31.57 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * HA VAL 133 + HB VAL 133 OK 100 100 100 100 2.2-2.3 3.0=100 HA SER 130 + HB VAL 133 OK 91 92 100 99 4.0-4.6 11861/2.1=52...(21) HA LEU 43 - HB VAL 133 far 5 93 5 - 5.1-9.2 HB3 SER 130 - HB VAL 133 far 0 99 0 - 6.6-7.5 HA ARG 90 - HB VAL 133 far 0 65 0 - 8.4-10.8 HA THR 83 - HB VAL 133 far 0 81 0 - 9.0-12.1 Violated in 0 structures by 0.00 A. Peak 4241 from cnoeabs.peaks (2.19, 2.19, 31.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 133 + HB VAL 133 OK 100 100 - 100 Peak 4242 from cnoeabs.peaks (0.84, 2.19, 31.57 ppm; 3.60 A): 4 out of 6 assignments used, quality = 1.00: * QG1 VAL 133 + HB VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 129 + HB VAL 133 OK 89 92 100 97 3.0-5.0 10486/9087=40...(30) HG13 ILE 80 + HB VAL 133 OK 61 95 65 99 3.0-8.4 ~10588=37, ~10588=34...(39) QG2 ILE 80 + HB VAL 133 OK 52 76 70 98 2.6-7.3 ~10588=27, ~10588=25...(42) QD2 LEU 70 - HB VAL 133 far 0 83 0 - 9.2-13.6 QD1 LEU 70 - HB VAL 133 far 0 87 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 4243 from cnoeabs.peaks (1.04, 2.19, 31.57 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + HB VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 77 - HB VAL 133 far 0 83 0 - 7.3-9.5 Violated in 0 structures by 0.00 A. Peak 4244 from cnoeabs.peaks (7.49, 2.19, 31.57 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 134 + HB VAL 133 OK 100 100 100 100 3.9-4.3 4.6=100 H LEU 42 - HB VAL 133 far 5 100 5 - 6.1-9.1 Violated in 0 structures by 0.00 A. Peak 4245 from cnoeabs.peaks (8.14, 0.84, 22.13 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 133 OK 100 100 100 100 1.7-2.1 4.0=82, 7935/2.1=80...(31) H PHE 87 - QG1 VAL 133 far 0 60 0 - 7.5-9.9 H GLU 91 - QG1 VAL 133 far 0 83 0 - 8.1-9.5 H ASP 71 - QG1 VAL 133 far 0 99 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 4246 from cnoeabs.peaks (3.77, 0.84, 22.13 ppm; 3.37 A): 4 out of 6 assignments used, quality = 1.00: * HA VAL 133 + QG1 VAL 133 OK 100 100 100 100 2.4-3.2 3.2=100 HB3 SER 130 + QG1 VAL 133 OK 90 99 95 96 3.7-4.9 10509/11679=42...(26) HA SER 130 + QG1 VAL 133 OK 89 92 100 97 1.8-2.3 11747/11777=36...(27) HA LEU 43 + QG1 VAL 133 OK 67 93 75 96 3.2-6.7 3.9/11679=47...(16) HA ARG 90 - QG1 VAL 133 far 0 65 0 - 7.0-8.4 HA THR 83 - QG1 VAL 133 far 0 81 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 4247 from cnoeabs.peaks (2.19, 0.84, 22.13 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 133 + QG1 VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 82 - QG1 VAL 133 far 0 96 0 - 6.1-10.8 HB3 LEU 69 - QG1 VAL 133 far 0 71 0 - 6.8-9.8 HB3 GLN 68 - QG1 VAL 133 far 0 96 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 4248 from cnoeabs.peaks (0.84, 0.84, 22.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 133 + QG1 VAL 133 OK 100 100 - 100 Peak 4249 from cnoeabs.peaks (1.04, 0.84, 22.13 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + QG1 VAL 133 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 77 - QG1 VAL 133 far 0 83 0 - 6.4-8.0 Violated in 0 structures by 0.00 A. Peak 4250 from cnoeabs.peaks (7.49, 0.84, 22.13 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + QG1 VAL 133 OK 100 100 100 100 1.9-3.7 7945=79, 7946/2.1=69...(26) H LEU 42 - QG1 VAL 133 far 15 100 15 - 4.8-7.4 HE22 GLN 127 - QG1 VAL 133 far 0 98 0 - 7.4-10.8 Violated in 0 structures by 0.00 A. Peak 4251 from cnoeabs.peaks (8.14, 1.04, 23.73 ppm; 3.33 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 133 + QG2 VAL 133 OK 100 100 100 100 2.4-3.7 7935=100, 7933/2.1=61...(28) H PHE 87 - QG2 VAL 133 far 0 60 0 - 8.8-11.1 Violated in 13 structures by 0.18 A. Peak 4252 from cnoeabs.peaks (3.77, 1.04, 23.73 ppm; 3.16 A): 4 out of 6 assignments used, quality = 1.00: * HA VAL 133 + QG2 VAL 133 OK 100 100 100 100 2.5-3.2 3.2=96, 3.0/7935=48...(22) HA SER 130 + QG2 VAL 133 OK 86 92 100 94 1.9-4.2 11861=31, 11747/11776=31...(24) HA LEU 43 + QG2 VAL 133 OK 38 93 45 90 3.0-6.1 3.9/11776=36...(18) HB3 SER 130 + QG2 VAL 133 OK 28 99 30 93 4.0-6.3 10509/11678=35...(24) HA THR 83 - QG2 VAL 133 far 0 81 0 - 8.3-11.9 HA ARG 90 - QG2 VAL 133 far 0 65 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 4253 from cnoeabs.peaks (2.19, 1.04, 23.73 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 133 + QG2 VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 82 - QG2 VAL 133 far 0 96 0 - 5.6-11.1 HB3 LEU 69 - QG2 VAL 133 far 0 71 0 - 8.0-11.0 Violated in 0 structures by 0.00 A. Peak 4254 from cnoeabs.peaks (0.84, 1.04, 23.73 ppm; 2.73 A): 3 out of 7 assignments used, quality = 1.00: * QG1 VAL 133 + QG2 VAL 133 OK 100 100 100 100 1.9-2.1 2.1=100 HG13 ILE 80 + QG2 VAL 133 OK 29 95 35 89 3.4-8.9 2.1/10588=35, ~10586=16...(33) QG2 ILE 129 + QG2 VAL 133 OK 26 92 30 94 3.8-5.1 10486/10587=29, 10482=21...(32) QG2 ILE 80 - QG2 VAL 133 far 11 76 15 - 3.6-7.7 QG2 ILE 32 - QG2 VAL 133 far 0 87 0 - 8.1-13.3 QD2 LEU 70 - QG2 VAL 133 far 0 83 0 - 8.4-11.7 QD1 LEU 70 - QG2 VAL 133 far 0 87 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 4255 from cnoeabs.peaks (1.04, 1.04, 23.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + QG2 VAL 133 OK 100 100 - 100 Peak 4256 from cnoeabs.peaks (7.49, 1.04, 23.73 ppm; 3.85 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 134 + QG2 VAL 133 OK 100 100 100 100 1.8-3.4 7946=85, 4250/2.1=67...(25) H LEU 42 + QG2 VAL 133 OK 63 100 65 97 3.6-6.5 2.8/10566=55...(13) HE22 GLN 127 - QG2 VAL 133 far 0 98 0 - 8.4-13.2 Violated in 0 structures by 0.00 A. Peak 4257 from cnoeabs.peaks (7.49, 4.35, 56.69 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 134 + HA GLN 134 OK 100 100 100 100 2.8-2.9 3.0=100 HE22 GLN 127 - HA ASP 47 lone 3 87 30 12 2.8-7.4 10420/1596=7...(3) H LEU 42 - HA LYS 24 far 0 49 0 - 6.8-28.0 H LEU 42 - HA GLN 134 far 0 100 0 - 7.3-10.4 H GLN 134 - HA ASP 47 far 0 91 0 - 8.9-12.5 H LEU 42 - HA ASP 47 far 0 91 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 4258 from cnoeabs.peaks (4.35, 4.35, 56.69 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLN 134 + HA GLN 134 OK 100 100 - 100 HA ASP 47 + HA ASP 47 OK 86 86 - 100 HA LYS 24 + HA LYS 24 OK 37 37 - 100 Peak 4259 from cnoeabs.peaks (2.02, 4.35, 56.69 ppm; 3.91 A): 2 out of 22 assignments used, quality = 1.00: * HB2 GLN 134 + HA GLN 134 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 135 + HA GLN 134 OK 66 96 80 86 5.1-6.4 4336/3.6=37, 7948/3.0=28...(14) HG2 PRO 81 - HA GLN 134 far 8 78 10 - 5.2-8.3 HB VAL 20 - HA LYS 24 far 5 35 15 - 2.7-11.2 HB3 GLU 40 - HA LYS 24 far 2 40 5 - 3.8-34.1 HB2 GLU 44 - HA LYS 24 far 0 48 0 - 6.3-29.8 HB3 GLU 40 - HA GLN 134 far 0 92 0 - 6.4-11.6 HB3 GLU 30 - HA LYS 24 far 0 48 0 - 6.5-16.0 HB3 GLU 55 - HA LYS 24 far 0 33 0 - 7.0-31.7 HB2 GLU 44 - HA ASP 47 far 0 91 0 - 7.2-8.2 HG2 PRO 58 - HA LYS 24 far 0 47 0 - 7.3-29.4 HB3 LEU 53 - HA ASP 47 far 0 54 0 - 7.4-9.5 HB ILE 129 - HA ASP 47 far 0 74 0 - 7.7-11.1 HB2 GLN 134 - HA ASP 47 far 0 91 0 - 8.9-13.1 HB VAL 63 - HA LYS 24 far 0 48 0 - 9.2-27.0 HB3 LEU 53 - HA LYS 24 far 0 25 0 - 9.3-27.4 HB2 GLU 44 - HA GLN 134 far 0 100 0 - 9.3-11.8 QE MET 11 - HA LYS 24 far 0 34 0 - 9.4-18.2 HB VAL 20 - HA ASP 47 far 0 72 0 - 9.5-32.5 HB ILE 129 - HA GLN 134 far 0 87 0 - 9.7-10.9 HB3 MET 11 - HA LYS 24 far 0 48 0 - 9.8-20.5 HG2 PRO 56 - HA LYS 24 far 0 42 0 - 9.9-33.0 Violated in 0 structures by 0.00 A. Peak 4260 from cnoeabs.peaks (2.33, 4.35, 56.69 ppm; 3.76 A): 1 out of 18 assignments used, quality = 1.00: * HB3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 GLN 27 - HA LYS 24 poor 6 31 20 - 3.5-12.7 HG3 GLU 30 - HA LYS 24 far 5 48 10 - 4.5-14.4 HG3 GLN 27 - HA LYS 24 poor 5 23 20 - 4.0-12.0 HG2 GLU 40 - HA GLN 134 far 5 92 5 - 5.2-13.2 HG3 GLN 27 - HA ASP 47 far 2 49 5 - 4.7-26.4 HG2 GLU 40 - HA LYS 24 far 2 40 5 - 2.0-32.1 HG2 GLN 127 - HA ASP 47 far 0 59 0 - 5.6-8.0 HG2 GLU 102 - HA LYS 24 far 0 23 0 - 6.2-33.9 HG2 GLN 27 - HA ASP 47 far 0 63 0 - 6.4-27.6 HG2 GLU 44 - HA ASP 47 far 0 88 0 - 6.7-9.4 HG3 GLN 68 - HA LYS 24 far 0 47 0 - 7.5-20.7 HB3 GLN 134 - HA ASP 47 far 0 91 0 - 7.7-11.9 HG2 GLU 44 - HA LYS 24 far 0 46 0 - 8.4-31.8 HB3 GLN 101 - HA LYS 24 far 0 23 0 - 8.7-29.4 HG3 GLN 68 - HA ASP 47 far 0 89 0 - 9.6-15.1 HG2 GLU 40 - HA ASP 47 far 0 79 0 - 9.8-14.5 HG2 GLU 44 - HA GLN 134 far 0 99 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 4261 from cnoeabs.peaks (2.65, 4.35, 56.69 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 134 + HA GLN 134 OK 100 100 100 100 3.5-4.1 4287=91, 1.8/4296=77...(19) HB2 ASP 35 - HA LYS 24 far 1 28 5 - 5.2-26.5 HG2 GLN 134 - HA ASP 47 far 0 91 0 - 7.7-12.3 HB2 ASP 71 - HA LYS 24 far 0 33 0 - 8.4-23.3 Violated in 4 structures by 0.04 A. Peak 4262 from cnoeabs.peaks (2.08, 4.35, 56.69 ppm; 3.68 A): 1 out of 20 assignments used, quality = 1.00: * HG3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.8-4.1 4296=91, 1.8/4261=70...(17) HB3 LYS 39 - HA GLN 134 poor 17 100 30 57 3.6-9.8 ~10606=19, 9125/11899=12...(10) HG3 PRO 81 - HA GLN 134 poor 14 57 85 30 4.2-9.5 7977/3.6=7, 7951/3.0=7...(7) HB2 GLN 127 - HA ASP 47 far 3 59 5 - 5.0-8.3 HB3 GLN 61 - HA LYS 24 far 0 35 0 - 5.4-24.7 HB3 GLN 27 - HA ASP 47 far 0 68 0 - 5.5-27.4 HB3 GLN 27 - HA LYS 24 far 0 33 0 - 6.0-12.9 HB VAL 126 - HA ASP 47 far 0 63 0 - 6.6-11.0 HB2 GLN 61 - HA LYS 24 far 0 39 0 - 6.7-23.7 HB VAL 118 - HA LYS 24 far 0 28 0 - 6.7-31.9 HB3 GLU 44 - HA LYS 24 far 0 48 0 - 6.8-29.9 HB3 GLU 44 - HA ASP 47 far 0 90 0 - 7.1-8.0 HG3 GLN 134 - HA ASP 47 far 0 91 0 - 7.4-10.8 HG3 PRO 58 - HA LYS 24 far 0 45 0 - 7.4-28.3 HB3 GLN 82 - HA GLN 134 far 0 97 0 - 7.5-14.3 HB2 GLU 102 - HA LYS 24 far 0 49 0 - 8.2-35.5 HB VAL 57 - HA LYS 24 far 0 46 0 - 8.5-28.2 HG2 PRO 117 - HA LYS 24 far 0 24 0 - 8.8-36.7 HB3 LYS 39 - HA LYS 24 far 0 48 0 - 9.0-32.3 HB3 GLU 44 - HA GLN 134 far 0 100 0 - 9.8-13.4 Violated in 9 structures by 0.14 A. Peak 4263 from cnoeabs.peaks (6.89, 4.35, 56.69 ppm; 5.43 A): 1 out of 5 assignments used, quality = 1.00: * HE21 GLN 134 + HA GLN 134 OK 100 100 100 100 3.9-5.7 5.4=100 HE21 GLN 134 - HA ASP 47 far 9 91 10 - 6.1-14.1 HD22 ASN 13 - HA LYS 24 far 4 40 10 - 6.3-24.7 HE21 GLN 61 - HA LYS 24 far 2 46 5 - 5.6-27.2 HD21 ASN 121 - HA LYS 24 far 0 44 0 - 9.9-36.2 Violated in 1 structures by 0.01 A. Peak 4265 from cnoeabs.peaks (7.31, 4.35, 56.69 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 135 + HA GLN 134 OK 100 100 100 100 3.3-3.5 3.6=100 HZ PHE 89 - HA GLN 134 far 0 99 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 4266 from cnoeabs.peaks (4.31, 2.02, 30.54 ppm; 5.53 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 131 + HB2 GLN 134 OK 100 100 100 100 3.7-5.3 4194/1.8=99, 7939/4.0=73...(14) HA PRO 81 - HB2 GLN 134 far 0 60 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. Peak 4267 from cnoeabs.peaks (7.49, 2.02, 30.54 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.9-3.6 4.0=100 H LEU 42 - HB2 GLN 134 far 0 100 0 - 9.0-12.1 Violated in 0 structures by 0.00 A. Peak 4268 from cnoeabs.peaks (4.35, 2.02, 30.54 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 47 - HB2 GLN 134 far 0 97 0 - 8.9-13.1 HA PRO 81 - HB2 GLN 134 far 0 90 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. Peak 4269 from cnoeabs.peaks (2.02, 2.02, 30.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 134 + HB2 GLN 134 OK 100 100 - 100 Peak 4270 from cnoeabs.peaks (2.33, 2.02, 30.54 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 134 + HB2 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 40 - HB2 GLN 134 far 0 92 0 - 6.5-14.5 HG2 GLU 44 - HB2 GLN 134 far 0 99 0 - 9.2-13.5 Violated in 0 structures by 0.00 A. Peak 4271 from cnoeabs.peaks (2.65, 2.02, 30.54 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 4272 from cnoeabs.peaks (2.08, 2.02, 30.54 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 39 - HB2 GLN 134 far 0 100 0 - 5.9-11.9 HG3 PRO 81 - HB2 GLN 134 far 0 57 0 - 6.1-11.4 HB3 GLN 82 - HB2 GLN 134 far 0 97 0 - 8.9-16.0 HB3 GLU 44 - HB2 GLN 134 far 0 100 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 4274 from cnoeabs.peaks (7.13, 2.02, 30.54 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HB2 GLN 134 OK 100 100 100 100 1.9-4.1 4.3=100 Violated in 0 structures by 0.00 A. Peak 4275 from cnoeabs.peaks (7.31, 2.02, 30.54 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 135 + HB2 GLN 134 OK 100 100 100 100 3.0-4.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 4276 from cnoeabs.peaks (4.31, 2.33, 30.54 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 131 + HB3 GLN 134 OK 100 100 100 100 4.0-5.5 4194=100, 4266/1.8=82...(11) HA PRO 81 - HB3 GLN 134 far 0 60 0 - 9.4-13.6 Violated in 1 structures by 0.01 A. Peak 4277 from cnoeabs.peaks (7.49, 2.33, 30.54 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.5-3.5 4.0=100 H LEU 42 - HB3 GLN 134 far 0 100 0 - 7.3-10.6 HE22 GLN 127 - HB3 GLN 134 far 0 98 0 - 9.7-15.8 Violated in 0 structures by 0.00 A. Peak 4278 from cnoeabs.peaks (4.35, 2.33, 30.54 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.3-2.5 3.0=100 HA ASP 47 - HB3 GLN 134 far 0 97 0 - 7.7-11.9 HA PRO 81 - HB3 GLN 134 far 0 90 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 4279 from cnoeabs.peaks (2.02, 2.33, 30.54 ppm; 3.55 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 134 + HB3 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 135 - HB3 GLN 134 far 0 96 0 - 5.2-8.2 HB3 GLU 40 - HB3 GLN 134 far 0 92 0 - 6.2-11.5 HG2 PRO 81 - HB3 GLN 134 far 0 78 0 - 7.3-10.4 HB2 GLU 44 - HB3 GLN 134 far 0 100 0 - 8.6-10.9 HB ILE 129 - HB3 GLN 134 far 0 87 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 4280 from cnoeabs.peaks (2.33, 2.33, 30.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 134 + HB3 GLN 134 OK 100 100 - 100 Peak 4281 from cnoeabs.peaks (2.65, 2.33, 30.54 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 4282 from cnoeabs.peaks (2.08, 2.33, 30.54 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 39 - HB3 GLN 134 far 5 100 5 - 4.6-10.7 HG3 PRO 81 - HB3 GLN 134 far 0 57 0 - 6.3-11.4 HB3 GLU 44 - HB3 GLN 134 far 0 100 0 - 8.6-12.2 HB2 GLN 127 - HB3 GLN 134 far 0 71 0 - 9.3-13.0 HB3 GLN 82 - HB3 GLN 134 far 0 97 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 4284 from cnoeabs.peaks (7.13, 2.33, 30.54 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 134 + HB3 GLN 134 OK 100 100 100 100 1.7-4.9 4.3=100 QD TYR 72 - HB3 GLN 134 far 0 90 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 4285 from cnoeabs.peaks (7.31, 2.33, 30.54 ppm; 6.01 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 135 + HB3 GLN 134 OK 100 100 100 100 4.1-4.5 4.4=100 HZ PHE 89 - HB3 GLN 134 far 0 99 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 4286 from cnoeabs.peaks (7.49, 2.65, 35.91 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HG2 GLN 134 OK 100 100 100 100 1.6-2.9 7950=100, 4295/1.8=78...(23) HE22 GLN 127 - HG2 GLN 134 far 0 98 0 - 8.3-13.5 H LEU 42 - HG2 GLN 134 far 0 100 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 4287 from cnoeabs.peaks (4.35, 2.65, 35.91 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 134 + HG2 GLN 134 OK 100 100 100 100 3.5-4.1 4261=100, 4296/1.8=81...(19) HA ASP 47 - HG2 GLN 134 far 0 97 0 - 7.7-12.3 HA PRO 81 - HG2 GLN 134 far 0 90 0 - 8.9-14.3 Violated in 4 structures by 0.01 A. Peak 4288 from cnoeabs.peaks (2.02, 2.65, 35.91 ppm; 4.12 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 ARG 135 + HG2 GLN 134 OK 84 96 95 92 2.9-7.2 5.0/7976=33, 4297/1.8=33...(15) HG2 PRO 81 - HG2 GLN 134 far 0 78 0 - 6.5-10.6 HB ILE 129 - HG2 GLN 134 far 0 87 0 - 8.1-8.8 HB3 GLU 40 - HG2 GLN 134 far 0 92 0 - 8.5-13.3 HB2 GLU 44 - HG2 GLN 134 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 4289 from cnoeabs.peaks (2.33, 2.65, 35.91 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 40 - HG2 GLN 134 far 0 92 0 - 8.2-14.8 HG2 GLU 44 - HG2 GLN 134 far 0 99 0 - 8.9-13.8 Violated in 0 structures by 0.00 A. Peak 4290 from cnoeabs.peaks (2.65, 2.65, 35.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG2 GLN 134 OK 100 100 - 100 Peak 4291 from cnoeabs.peaks (2.08, 2.65, 35.91 ppm; 3.19 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 81 - HG2 GLN 134 far 0 57 0 - 5.2-11.6 HB3 LYS 39 - HG2 GLN 134 far 0 100 0 - 5.9-12.3 HB2 GLN 127 - HG2 GLN 134 far 0 71 0 - 7.7-11.0 HB2 GLU 128 - HG2 GLN 134 far 0 100 0 - 8.6-9.9 HB3 GLU 44 - HG2 GLN 134 far 0 100 0 - 9.5-13.6 HB3 GLN 82 - HG2 GLN 134 far 0 97 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 4292 from cnoeabs.peaks (6.89, 2.65, 35.91 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 4293 from cnoeabs.peaks (7.13, 2.65, 35.91 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 134 + HG2 GLN 134 OK 100 100 100 100 3.3-3.7 3.5=100 QD TYR 72 - HG2 GLN 134 far 0 90 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 4294 from cnoeabs.peaks (7.31, 2.65, 35.91 ppm; 6.70 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 135 + HG2 GLN 134 OK 100 100 100 100 2.2-4.1 4.9=100 HZ PHE 89 - HG2 GLN 134 far 0 99 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 4295 from cnoeabs.peaks (7.49, 2.08, 35.91 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HG3 GLN 134 OK 100 100 100 100 1.8-3.5 7951=88, 7950/1.8=86...(21) H LEU 42 - HG3 GLN 134 far 0 100 0 - 7.4-12.5 HE22 GLN 127 - HG3 GLN 134 far 0 98 0 - 7.9-13.7 Violated in 0 structures by 0.00 A. Peak 4296 from cnoeabs.peaks (4.35, 2.08, 35.91 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.8-4.1 4.1=82, 4261/1.8=75...(18) HA ASP 47 - HG3 GLN 134 far 0 97 0 - 7.4-10.8 HA PRO 81 - HG3 GLN 134 far 0 90 0 - 9.0-14.3 Violated in 9 structures by 0.09 A. Peak 4297 from cnoeabs.peaks (2.02, 2.08, 35.91 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 ARG 135 + HG3 GLN 134 OK 86 96 95 94 2.8-8.3 4288/1.8=39, 4336/4.9=32...(16) HG2 PRO 81 - HG3 GLN 134 far 0 78 0 - 6.2-11.1 HB3 GLU 40 - HG3 GLN 134 far 0 92 0 - 7.1-14.1 HB ILE 129 - HG3 GLN 134 far 0 87 0 - 8.0-9.9 HB2 GLU 44 - HG3 GLN 134 far 0 100 0 - 8.2-12.0 Violated in 0 structures by 0.00 A. Peak 4298 from cnoeabs.peaks (2.33, 2.08, 35.91 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 40 - HG3 GLN 134 far 0 92 0 - 6.7-15.5 HG2 GLU 44 - HG3 GLN 134 far 0 99 0 - 8.6-13.6 HG3 GLN 27 - HG3 GLN 134 far 0 60 0 - 9.8-28.5 Violated in 0 structures by 0.00 A. Peak 4299 from cnoeabs.peaks (2.65, 2.08, 35.91 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG3 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4300 from cnoeabs.peaks (2.08, 2.08, 35.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 134 + HG3 GLN 134 OK 100 100 - 100 Peak 4301 from cnoeabs.peaks (6.89, 2.08, 35.91 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 134 + HG3 GLN 134 OK 100 100 100 100 3.5-3.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 4302 from cnoeabs.peaks (7.13, 2.08, 35.91 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.7-4.1 3.5=100 QD TYR 72 - HG3 GLN 134 far 0 90 0 - 8.5-12.9 Violated in 0 structures by 0.00 A. Peak 4303 from cnoeabs.peaks (7.31, 2.08, 35.91 ppm; 5.84 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 135 + HG3 GLN 134 OK 100 100 100 100 2.2-4.3 4.9=100 HZ PHE 89 - HG3 GLN 134 far 0 99 0 - 7.6-10.8 Violated in 0 structures by 0.00 A. Peak 4304 from cnoeabs.peaks (7.31, 4.02, 58.76 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 135 + HA ARG 135 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 4305 from cnoeabs.peaks (4.02, 4.02, 58.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 135 + HA ARG 135 OK 100 100 - 100 Peak 4306 from cnoeabs.peaks (1.90, 4.02, 58.76 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 84 - HA ARG 135 far 0 100 0 - 7.7-12.4 Violated in 0 structures by 0.00 A. Peak 4307 from cnoeabs.peaks (1.82, 4.02, 58.76 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 84 - HA ARG 135 far 0 98 0 - 7.2-13.6 HB2 LYS 86 - HA ARG 135 far 0 76 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 4308 from cnoeabs.peaks (1.71, 4.02, 58.76 ppm; 3.29 A): 1 out of 4 assignments used, quality = 0.99: * HG2 ARG 135 + HA ARG 135 OK 99 100 100 99 2.6-4.2 4329=69, 7983/3.0=51...(17) HD3 LYS 39 - HA ARG 135 far 0 100 0 - 6.8-14.7 HB2 LEU 43 - HA ARG 135 far 0 89 0 - 8.2-12.1 HB ILE 80 - HA ARG 135 far 0 65 0 - 9.4-13.1 Violated in 4 structures by 0.12 A. Peak 4309 from cnoeabs.peaks (2.03, 4.02, 58.76 ppm; 3.36 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.7-3.6 1.8/4308=73, 4.2=53...(15) HB2 GLN 134 + HA ARG 135 OK 62 96 100 65 3.9-4.7 ~7975=24, 7984/3.0=22...(9) HG3 PRO 81 - HA ARG 135 far 8 85 10 - 4.3-9.3 Violated in 2 structures by 0.00 A. Peak 4310 from cnoeabs.peaks (2.94, 4.02, 58.76 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.0-4.9 4345=100, 3.0/4308=85...(19) HE3 LYS 39 - HA ARG 135 far 14 97 15 - 4.8-13.3 HE2 LYS 39 - HA ARG 135 far 10 99 10 - 5.1-11.9 Violated in 12 structures by 0.17 A. Peak 4311 from cnoeabs.peaks (3.23, 4.02, 58.76 ppm; 4.90 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.6-5.1 4353=100, 3.0/4308=92...(18) HB3 HIS 4 - HA ARG 135 far 5 100 5 - 3.0-75.5 HB2 HIS 5 - HA ARG 135 far 0 100 0 - 7.7-69.7 Violated in 3 structures by 0.01 A. Peak 4312 from cnoeabs.peaks (7.31, 1.90, 31.04 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.1-3.6 4.0=100 QD PHE 87 - HB2 ARG 135 far 0 100 0 - 9.7-13.4 HZ PHE 89 - HB2 ARG 135 far 0 99 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 4313 from cnoeabs.peaks (4.02, 1.90, 31.04 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 PRO 81 - HB2 ARG 135 far 0 83 0 - 5.7-9.2 Violated in 0 structures by 0.00 A. Peak 4314 from cnoeabs.peaks (1.90, 1.90, 31.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 135 + HB2 ARG 135 OK 100 100 - 100 Peak 4315 from cnoeabs.peaks (1.82, 1.90, 31.04 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 84 - HB2 ARG 135 far 0 98 0 - 4.9-11.3 HB2 LYS 86 - HB2 ARG 135 far 0 76 0 - 7.6-12.8 Violated in 0 structures by 0.00 A. Peak 4316 from cnoeabs.peaks (1.71, 1.90, 31.04 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 39 - HB2 ARG 135 far 0 100 0 - 7.6-15.9 HB ILE 80 - HB2 ARG 135 far 0 65 0 - 7.9-11.8 HB2 LEU 43 - HB2 ARG 135 far 0 89 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 4317 from cnoeabs.peaks (2.03, 1.90, 31.04 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 GLN 134 + HB2 ARG 135 OK 96 96 100 100 5.4-6.8 4.4/7981=99, 4309/3.0=40...(16) HG3 PRO 81 + HB2 ARG 135 OK 51 85 100 60 3.9-7.8 4336/7981=18...(17) Violated in 0 structures by 0.00 A. Peak 4318 from cnoeabs.peaks (2.94, 1.90, 31.04 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.4-4.0 3.7=100 HE3 LYS 39 - HB2 ARG 135 far 0 97 0 - 6.3-14.0 HE2 LYS 39 - HB2 ARG 135 far 0 99 0 - 6.9-13.3 Violated in 0 structures by 0.00 A. Peak 4319 from cnoeabs.peaks (3.23, 1.90, 31.04 ppm; 4.47 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.1-3.8 3.7=100 HB3 HIS 4 - HB2 ARG 135 far 5 100 5 - 5.5-74.3 HB2 HIS 5 - HB2 ARG 135 far 0 100 0 - 8.1-68.7 HB2 PHE 87 - HB2 ARG 135 far 0 100 0 - 9.2-14.5 HB3 PHE 87 - HB2 ARG 135 far 0 100 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 4320 from cnoeabs.peaks (7.31, 1.82, 31.04 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.6-3.6 4.0=100 HZ PHE 89 - HB VAL 93 far 6 62 10 - 5.0-7.5 QD PHE 87 - HB VAL 93 far 0 63 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 4321 from cnoeabs.peaks (4.02, 1.82, 31.04 ppm; 4.01 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 PRO 81 - HB3 ARG 135 poor 17 83 20 - 4.1-10.2 HA ALA 92 - HB VAL 93 far 0 30 0 - 5.6-6.5 HA LEU 96 - HB VAL 93 far 0 40 0 - 7.3-8.2 HA LYS 95 - HB VAL 93 far 0 64 0 - 7.4-8.2 HA ILE 37 - HB VAL 93 far 0 64 0 - 9.9-18.0 HB3 SER 99 - HB VAL 93 far 0 58 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 4322 from cnoeabs.peaks (1.90, 1.82, 31.04 ppm; 3.50 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 + HB VAL 93 OK 51 59 90 97 4.1-6.0 3.0/2793=46, ~11411=34...(16) HB3 ARG 84 - HB3 ARG 135 far 0 100 0 - 5.3-9.7 Violated in 0 structures by 0.00 A. Peak 4323 from cnoeabs.peaks (1.82, 1.82, 31.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 135 + HB3 ARG 135 OK 100 100 - 100 HB VAL 93 + HB VAL 93 OK 60 60 - 100 Peak 4324 from cnoeabs.peaks (1.71, 1.82, 31.04 ppm; 4.36 A): 2 out of 9 assignments used, quality = 1.00: * HG2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 ARG 90 + HB VAL 93 OK 29 44 70 94 3.6-6.4 3.8/2793=57, ~11411=41...(9) HB2 LEU 70 - HB VAL 93 far 3 65 5 - 5.5-9.8 HB3 LEU 70 - HB VAL 93 far 0 64 0 - 6.3-9.6 HB ILE 80 - HB3 ARG 135 far 0 65 0 - 6.9-12.6 HD3 LYS 39 - HB3 ARG 135 far 0 100 0 - 7.2-14.5 HG LEU 98 - HB VAL 93 far 0 65 0 - 8.0-10.7 HB ILE 80 - HB VAL 93 far 0 35 0 - 8.9-10.9 HB2 LEU 43 - HB3 ARG 135 far 0 89 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 4325 from cnoeabs.peaks (2.03, 1.82, 31.04 ppm; 3.74 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 PRO 81 - HB3 ARG 135 poor 9 85 30 34 2.3-8.3 4336/7982=9, 4339=7...(12) HG2 ARG 90 - HB VAL 93 far 3 60 5 - 5.0-7.6 HB2 GLN 134 - HB3 ARG 135 far 0 96 0 - 5.4-6.5 HB3 GLU 91 - HB VAL 93 far 0 65 0 - 6.7-9.0 HB3 GLU 30 - HB VAL 93 far 0 57 0 - 7.3-25.7 HB3 GLN 27 - HB VAL 93 far 0 33 0 - 9.2-26.9 Violated in 0 structures by 0.00 A. Peak 4326 from cnoeabs.peaks (2.94, 1.82, 31.04 ppm; 4.51 A): 1 out of 6 assignments used, quality = 1.00: * HD2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.4-3.8 3.7=100 HG CYS 73 - HB VAL 93 poor 13 64 20 - 4.6-8.0 HE3 LYS 39 - HB3 ARG 135 far 5 97 5 - 5.7-12.6 HE2 LYS 39 - HB3 ARG 135 far 0 99 0 - 6.7-12.2 HE3 LYS 86 - HB VAL 93 far 0 45 0 - 8.2-12.3 HE3 LYS 86 - HB3 ARG 135 far 0 81 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 4327 from cnoeabs.peaks (3.23, 1.82, 31.04 ppm; 4.54 A): 2 out of 8 assignments used, quality = 1.00: * HD3 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.0-4.1 3.7=100 HA VAL 93 + HB VAL 93 OK 51 51 100 100 2.2-3.0 3.0=100 HB3 HIS 4 - HB3 ARG 135 far 5 100 5 - 4.8-76.0 HB3 CYS 125 - HB VAL 93 far 0 32 0 - 6.3-9.6 HB2 HIS 5 - HB3 ARG 135 far 0 100 0 - 8.0-70.3 HB2 PHE 87 - HB3 ARG 135 far 0 100 0 - 9.4-13.6 HB3 PHE 87 - HB3 ARG 135 far 0 100 0 - 9.6-13.0 HB2 PHE 87 - HB VAL 93 far 0 64 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4328 from cnoeabs.peaks (7.31, 1.71, 27.30 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.6-4.0 7983=100, 7982/2.9=73...(27) QD PHE 87 - HG2 ARG 135 far 0 100 0 - 9.7-14.1 Violated in 1 structures by 0.00 A. Peak 4329 from cnoeabs.peaks (4.02, 1.71, 27.30 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.6-4.2 4308=100, 3.0/7983=64...(17) HD3 PRO 81 - HG2 ARG 135 far 4 83 5 - 5.0-10.5 Violated in 3 structures by 0.04 A. Peak 4330 from cnoeabs.peaks (1.90, 1.71, 27.30 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ARG 84 - HG2 ARG 135 far 0 100 0 - 6.1-11.6 Violated in 0 structures by 0.00 A. Peak 4331 from cnoeabs.peaks (1.82, 1.71, 27.30 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 84 - HG2 ARG 135 far 5 98 5 - 4.5-12.5 HB2 LYS 86 - HG2 ARG 135 far 0 76 0 - 7.7-13.4 Violated in 0 structures by 0.00 A. Peak 4332 from cnoeabs.peaks (1.71, 1.71, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 135 + HG2 ARG 135 OK 100 100 - 100 Peak 4333 from cnoeabs.peaks (2.03, 1.71, 27.30 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 134 - HG2 ARG 135 far 14 96 15 - 3.4-7.7 HG3 PRO 81 - HG2 ARG 135 far 4 85 5 - 3.9-9.2 Violated in 0 structures by 0.00 A. Peak 4334 from cnoeabs.peaks (2.94, 1.71, 27.30 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 39 - HG2 ARG 135 far 0 97 0 - 6.4-14.5 HE2 LYS 39 - HG2 ARG 135 far 0 99 0 - 6.8-13.4 Violated in 0 structures by 0.00 A. Peak 4335 from cnoeabs.peaks (3.23, 1.71, 27.30 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 4 - HG2 ARG 135 far 5 100 5 - 3.6-75.6 HB2 PHE 87 - HG2 ARG 135 far 0 100 0 - 8.8-14.7 HB3 PHE 87 - HG2 ARG 135 far 0 100 0 - 9.2-13.5 HB2 HIS 5 - HG2 ARG 135 far 0 100 0 - 9.7-69.9 Violated in 0 structures by 0.00 A. Peak 4336 from cnoeabs.peaks (7.31, 2.03, 27.30 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 135 + HG3 ARG 135 OK 100 100 100 100 1.8-4.1 7983/1.8=93, 7982/2.9=78...(29) H ARG 135 + HG3 PRO 81 OK 23 61 70 53 3.0-8.2 10632/10575=11, 7984=8...(13) HZ PHE 89 - HG3 PRO 81 far 0 59 0 - 6.8-10.5 QD PHE 87 - HG3 PRO 81 far 0 60 0 - 9.1-12.8 HZ PHE 89 - HG3 ARG 135 far 0 99 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 4337 from cnoeabs.peaks (4.02, 2.03, 27.30 ppm; 3.84 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.7-3.6 4308/1.8=88, 4.2=78...(15) HD3 PRO 81 + HG3 PRO 81 OK 44 44 100 100 2.3-3.0 2.3=100 HA ARG 135 - HG3 PRO 81 poor 12 61 20 - 4.3-9.3 HB3 SER 99 - HG3 PRO 117 far 0 58 0 - 5.6-10.5 HD3 PRO 81 - HG3 ARG 135 far 0 83 0 - 6.1-9.6 HA LEU 103 - HG3 PRO 117 far 0 65 0 - 6.5-13.9 HA LEU 119 - HG3 PRO 117 far 0 62 0 - 7.7-9.8 HB2 SER 38 - HG3 PRO 81 far 0 61 0 - 8.1-15.3 HA LEU 96 - HG3 PRO 117 far 0 41 0 - 9.3-13.4 HB3 SER 124 - HG3 PRO 117 far 0 58 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 4338 from cnoeabs.peaks (1.90, 2.03, 27.30 ppm; 3.45 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 135 - HG3 PRO 81 poor 18 61 30 - 3.9-7.8 HB3 ARG 84 - HG3 PRO 81 far 0 61 0 - 5.5-10.8 HB3 ARG 84 - HG3 ARG 135 far 0 100 0 - 7.1-10.7 HB2 PRO 113 - HG3 PRO 117 far 0 62 0 - 7.9-13.0 HB2 GLU 40 - HG3 PRO 81 far 0 61 0 - 9.1-16.6 Violated in 0 structures by 0.00 A. Peak 4339 from cnoeabs.peaks (1.82, 2.03, 27.30 ppm; 3.59 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 135 - HG3 PRO 81 poor 18 61 30 - 2.3-8.3 HB2 ARG 84 - HG3 PRO 81 far 0 58 0 - 5.8-11.1 HB2 ARG 84 - HG3 ARG 135 far 0 98 0 - 6.0-11.8 HB2 LYS 86 - HG3 PRO 81 far 0 39 0 - 6.4-9.0 HB3 LEU 103 - HG3 PRO 117 far 0 39 0 - 7.2-15.1 HB2 CYS 79 - HG3 PRO 81 far 0 43 0 - 7.9-9.9 HB2 LYS 86 - HG3 ARG 135 far 0 76 0 - 8.0-11.9 HB3 LEU 122 - HG3 PRO 117 far 0 41 0 - 8.2-12.6 HB3 LYS 24 - HG3 PRO 117 far 0 65 0 - 9.1-36.7 HB2 LEU 100 - HG3 PRO 117 far 0 65 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 4340 from cnoeabs.peaks (1.71, 2.03, 27.30 ppm; 3.28 A): 1 out of 10 assignments used, quality = 1.00: * HG2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 39 - HG3 PRO 81 poor 15 61 25 - 2.1-10.9 HB ILE 80 - HG3 PRO 81 poor 10 33 30 - 3.4-6.6 HG2 ARG 135 - HG3 PRO 81 far 3 61 5 - 3.9-9.2 HD3 LYS 39 - HG3 ARG 135 far 0 100 0 - 7.2-14.6 HB ILE 80 - HG3 ARG 135 far 0 65 0 - 7.3-11.2 HB2 LEU 43 - HG3 PRO 81 far 0 48 0 - 7.7-16.2 HB2 LEU 43 - HG3 ARG 135 far 0 89 0 - 8.2-11.3 HG3 ARG 90 - HG3 PRO 81 far 0 41 0 - 9.2-14.2 HG LEU 98 - HG3 PRO 117 far 0 65 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 4341 from cnoeabs.peaks (2.03, 2.03, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 135 + HG3 ARG 135 OK 100 100 - 100 HG3 PRO 117 + HG3 PRO 117 OK 50 50 - 100 HG3 PRO 81 + HG3 PRO 81 OK 46 46 - 100 Peak 4342 from cnoeabs.peaks (2.94, 2.03, 27.30 ppm; 4.43 A): 3 out of 10 assignments used, quality = 1.00: * HD2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 116 + HG3 PRO 117 OK 39 64 60 100 4.4-6.8 10241/2.3=64...(32) HE3 LYS 39 + HG3 PRO 81 OK 24 56 60 72 2.0-11.0 10239/2.3=14, ~1166=9...(21) HE2 LYS 39 - HG3 PRO 81 poor 16 59 35 79 2.3-12.0 10577/10574=14...(25) HD2 ARG 135 - HG3 PRO 81 far 9 61 15 - 4.8-9.9 HE3 LYS 39 - HG3 ARG 135 far 0 97 0 - 6.0-13.3 HE3 LYS 86 - HG3 PRO 81 far 0 43 0 - 6.2-10.7 HE3 LYS 24 - HG3 PRO 117 far 0 42 0 - 6.6-40.6 HE2 LYS 39 - HG3 ARG 135 far 0 99 0 - 6.8-12.3 HE2 LYS 24 - HG3 PRO 117 far 0 52 0 - 7.4-39.2 Violated in 0 structures by 0.00 A. Peak 4343 from cnoeabs.peaks (3.23, 2.03, 27.30 ppm; 4.72 A): 1 out of 10 assignments used, quality = 1.00: * HD3 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 135 - HG3 PRO 81 poor 8 61 35 38 5.0-10.0 7986/4336=10, 3.7/4325=7...(12) HB3 HIS 4 - HG3 ARG 135 far 5 100 5 - 4.2-73.9 HB2 HIS 5 - HG3 PRO 81 far 0 61 0 - 7.6-64.4 HB3 HIS 4 - HG3 PRO 81 far 0 61 0 - 8.1-70.0 HB3 PHE 87 - HG3 PRO 81 far 0 61 0 - 9.3-13.0 HB2 PHE 87 - HG3 ARG 135 far 0 100 0 - 9.5-13.6 HB2 HIS 5 - HG3 ARG 135 far 0 100 0 - 9.9-68.2 HB2 PHE 87 - HG3 PRO 81 far 0 61 0 - 9.9-12.9 HB3 PHE 87 - HG3 ARG 135 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 4344 from cnoeabs.peaks (7.31, 2.94, 44.19 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.1-4.7 6.2=100 QD PHE 87 - HD2 ARG 135 far 0 100 0 - 9.0-13.1 HZ PHE 89 - HD2 ARG 135 far 0 99 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 4345 from cnoeabs.peaks (4.02, 2.94, 44.19 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.0-4.9 5.0=100 HD3 PRO 81 - HD2 ARG 135 far 0 83 0 - 6.7-11.7 Violated in 0 structures by 0.00 A. Peak 4346 from cnoeabs.peaks (1.90, 2.94, 44.19 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.4-4.0 3.7=100 HB3 ARG 84 - HD2 ARG 135 far 5 100 5 - 5.4-10.2 Violated in 0 structures by 0.00 A. Peak 4347 from cnoeabs.peaks (1.82, 2.94, 44.19 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.4-3.8 3.7=100 HB2 ARG 84 - HD2 ARG 135 far 0 98 0 - 5.9-10.9 HB2 LYS 86 - HD2 ARG 135 far 0 76 0 - 7.9-12.6 Violated in 0 structures by 0.00 A. Peak 4348 from cnoeabs.peaks (1.71, 2.94, 44.19 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HB ILE 80 - HD2 ARG 135 far 0 65 0 - 8.2-13.4 HB2 LEU 43 - HD2 ARG 135 far 0 89 0 - 8.7-14.0 HD3 LYS 39 - HD2 ARG 135 far 0 100 0 - 9.4-16.9 Violated in 0 structures by 0.00 A. Peak 4349 from cnoeabs.peaks (2.03, 2.94, 44.19 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 134 - HD2 ARG 135 far 10 96 10 - 4.5-7.9 HG3 PRO 81 - HD2 ARG 135 far 4 85 5 - 4.8-9.9 Violated in 0 structures by 0.00 A. Peak 4350 from cnoeabs.peaks (2.94, 2.94, 44.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 135 + HD2 ARG 135 OK 100 100 - 100 Peak 4351 from cnoeabs.peaks (3.23, 2.94, 44.19 ppm; 3.12 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 4 - HD2 ARG 135 far 0 100 0 - 5.8-75.3 HB3 PHE 87 - HD2 ARG 135 far 0 100 0 - 8.1-13.8 HB2 PHE 87 - HD2 ARG 135 far 0 100 0 - 8.5-13.5 Violated in 0 structures by 0.00 A. Peak 4352 from cnoeabs.peaks (7.31, 3.23, 44.19 ppm; 5.29 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.6-4.7 7986=100, 7983/3.0=96...(27) QD PHE 87 - HD3 ARG 135 far 0 100 0 - 8.6-12.6 HZ PHE 89 - HD3 ARG 135 far 0 99 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 4353 from cnoeabs.peaks (4.02, 3.23, 44.19 ppm; 5.10 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.6-5.1 5.0=100 HD3 PRO 81 - HD3 ARG 135 far 0 83 0 - 6.7-11.7 Violated in 0 structures by 0.00 A. Peak 4354 from cnoeabs.peaks (1.90, 3.23, 44.19 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.1-3.8 3.7=100 HB3 ARG 84 - HD3 ARG 135 far 10 100 10 - 4.5-9.9 Violated in 0 structures by 0.00 A. Peak 4355 from cnoeabs.peaks (1.82, 3.23, 44.19 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 ARG 84 - HD3 ARG 135 far 10 98 10 - 5.3-10.4 HB2 LYS 86 - HD3 ARG 135 far 0 76 0 - 7.1-12.2 Violated in 1 structures by 0.01 A. Peak 4356 from cnoeabs.peaks (1.71, 3.23, 44.19 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HB ILE 80 - HD3 ARG 135 far 0 65 0 - 7.4-12.7 HD3 LYS 39 - HD3 ARG 135 far 0 100 0 - 9.3-16.2 HB2 LEU 43 - HD3 ARG 135 far 0 89 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 4357 from cnoeabs.peaks (2.03, 3.23, 44.19 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 PRO 81 - HD3 ARG 135 poor 17 85 20 - 5.0-10.0 HB2 GLN 134 - HD3 ARG 135 far 10 96 10 - 3.2-8.2 Violated in 0 structures by 0.00 A. Peak 4358 from cnoeabs.peaks (2.94, 3.23, 44.19 ppm; 3.03 A): 1 out of 4 assignments used, quality = 1.00: * HD2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 39 - HD3 ARG 135 far 0 97 0 - 6.9-14.7 HE2 LYS 39 - HD3 ARG 135 far 0 99 0 - 7.4-14.3 HE3 LYS 86 - HD3 ARG 135 far 0 81 0 - 9.0-15.0 Violated in 0 structures by 0.00 A. Peak 4359 from cnoeabs.peaks (3.23, 3.23, 44.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 135 + HD3 ARG 135 OK 100 100 - 100 Peak 5501 from cnoeabs.peaks (4.22, 7.15, 118.65 ppm; 4.45 A): 1 out of 9 assignments used, quality = 1.00: * HA HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.1-4.7 2096=100, 2.9/6870=61...(10) HA GLU 30 - HD2 HIS 67 far 15 99 15 - 4.7-14.9 HA ALA 29 - HD2 HIS 67 far 10 97 10 - 5.5-14.7 HA VAL 105 - HD2 HIS 67 far 3 65 5 - 4.8-12.8 HA GLN 27 - HD2 HIS 67 far 0 68 0 - 6.1-20.5 HA ALA 34 - HD2 HIS 67 far 0 99 0 - 6.3-18.6 HA ALA 28 - HD2 HIS 67 far 0 83 0 - 7.7-17.9 HA SER 99 - HD2 HIS 67 far 0 100 0 - 9.2-14.3 HA SER 94 - HD2 HIS 67 far 0 92 0 - 9.5-15.6 Violated in 1 structures by 0.01 A. Peak 5502 from cnoeabs.peaks (3.34, 7.15, 118.65 ppm; 5.25 A): 2 out of 4 assignments used, quality = 1.00: * HB2 HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.8-4.0 4.0=100 HA VAL 63 + HD2 HIS 67 OK 37 73 50 100 4.3-7.9 3.2/9406=87...(9) HB3 CYS 73 - HD2 HIS 67 far 0 81 0 - 8.2-14.2 HB3 TYR 72 - HD2 HIS 67 far 0 100 0 - 8.3-13.9 Violated in 0 structures by 0.00 A. Peak 5503 from cnoeabs.peaks (3.41, 7.15, 118.65 ppm; 5.82 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.7-4.0 4.0=100 HA VAL 126 - HD2 HIS 67 far 0 63 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 5504 from cnoeabs.peaks (7.15, 7.15, 118.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 67 + HD2 HIS 67 OK 100 100 - 100 Peak 5508 from cnoeabs.peaks (4.55, 7.15, 131.84 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 72 + QD TYR 72 OK 100 100 100 100 1.9-3.5 3.4=100 HA SER 38 - QD TYR 72 poor 19 97 20 - 3.6-8.7 HA ASP 35 - QD TYR 72 far 0 63 0 - 6.5-8.8 Violated in 0 structures by 0.00 A. Peak 5509 from cnoeabs.peaks (3.02, 7.15, 131.84 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + QD TYR 72 OK 100 100 100 100 2.3-2.8 2.7=100 Violated in 0 structures by 0.00 A. Peak 5510 from cnoeabs.peaks (3.34, 7.15, 131.84 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * HB3 TYR 72 + QD TYR 72 OK 100 100 100 100 2.3-2.8 2.7=100 HB3 CYS 73 + QD TYR 72 OK 85 85 100 100 3.1-7.1 3.8/6996=86, ~9529=52...(24) HB2 HIS 67 + QD TYR 72 OK 24 100 35 69 7.7-9.6 9480/9481=21...(10) HB3 PHE 89 - QD TYR 72 far 5 99 5 - 8.3-12.4 HB2 PHE 89 - QD TYR 72 far 0 68 0 - 8.3-12.2 Violated in 0 structures by 0.00 A. Peak 5511 from cnoeabs.peaks (7.15, 7.15, 131.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 72 + QD TYR 72 OK 100 100 - 100 Peak 5512 from cnoeabs.peaks (6.81, 7.15, 131.84 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 72 + QD TYR 72 OK 100 100 100 100 2.2-2.2 2.2=100 HE21 GLN 127 - QD TYR 72 far 0 95 0 - 7.5-15.2 Violated in 0 structures by 0.00 A. Peak 5513 from cnoeabs.peaks (7.15, 6.81, 118.26 ppm; 2.74 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 72 + QE TYR 72 OK 100 100 100 100 2.2-2.2 2.2=100 HD2 HIS 67 - QE TYR 72 far 0 100 0 - 5.5-10.7 HE22 GLN 134 - QE TYR 72 far 0 90 0 - 8.6-18.2 Violated in 0 structures by 0.00 A. Peak 5514 from cnoeabs.peaks (6.81, 6.81, 118.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 72 + QE TYR 72 OK 100 100 - 100 Peak 5516 from cnoeabs.peaks (2.76, 6.50, 133.03 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HB2 TYR 76 + QD TYR 76 OK 100 100 100 100 2.3-2.8 2.6=100 HB2 CYS 73 + QD TYR 76 OK 97 97 100 100 4.1-7.4 3.0/11126=88, ~11160=68...(21) HB3 ASP 78 + QD TYR 76 OK 78 81 100 97 6.1-7.1 9693/11171=45...(10) HB3 ASP 35 - QD TYR 76 lone 3 98 25 14 7.3-15.1 9413/10841=11 Violated in 0 structures by 0.00 A. Peak 5517 from cnoeabs.peaks (3.13, 6.50, 133.03 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 76 + QD TYR 76 OK 100 100 100 100 2.3-2.7 2.6=100 HB3 CYS 45 - QD TYR 76 far 5 100 5 - 8.0-12.0 Violated in 0 structures by 0.00 A. Peak 5518 from cnoeabs.peaks (6.50, 6.50, 133.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + QD TYR 76 OK 100 100 - 100 Peak 5519 from cnoeabs.peaks (6.47, 6.50, 133.03 ppm; diagonal): 1 out of 1 assignment used, quality = 0.57: QD TYR 76 + QD TYR 76 OK 57 57 - 100 Reference assignment not found: QE TYR 76 - QD TYR 76 Peak 5520 from cnoeabs.peaks (6.50, 6.47, 116.95 ppm; diagonal): 1 out of 1 assignment used, quality = 0.57: QE TYR 76 + QE TYR 76 OK 57 57 - 100 Reference assignment not found: QD TYR 76 - QE TYR 76 Peak 5521 from cnoeabs.peaks (6.47, 6.47, 116.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 76 + QE TYR 76 OK 100 100 - 100 Peak 5522 from cnoeabs.peaks (4.26, 7.32, 131.40 ppm; 5.20 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-3.0 3.7=100 HA ARG 84 + QD PHE 87 OK 87 89 100 98 2.2-5.8 9782/9776=63...(13) Violated in 0 structures by 0.00 A. Peak 5523 from cnoeabs.peaks (3.23, 7.32, 131.40 ppm; 5.57 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 HB3 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 HD3 ARG 135 - QD PHE 87 far 0 100 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 5524 from cnoeabs.peaks (3.23, 7.32, 131.40 ppm; 5.57 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 HB2 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 HD3 ARG 135 - QD PHE 87 far 0 100 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 5525 from cnoeabs.peaks (7.32, 7.32, 131.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 87 + QD PHE 87 OK 100 100 - 100 Peak 5526 from cnoeabs.peaks (7.27, 7.32, 131.40 ppm; 2.58 A): 1 out of 4 assignments used, quality = 1.00: * QE PHE 87 + QD PHE 87 OK 100 100 100 100 2.2-2.2 2.2=100 HE ARG 84 - QD PHE 87 far 0 87 0 - 4.5-9.8 H ASN 85 - QD PHE 87 far 0 100 0 - 5.3-7.5 HD21 ASN 85 - QD PHE 87 far 0 73 0 - 6.6-10.1 Violated in 0 structures by 0.00 A. Peak 5528 from cnoeabs.peaks (7.32, 7.27, 130.01 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 87 + QE PHE 87 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5529 from cnoeabs.peaks (7.27, 7.27, 130.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 87 + QE PHE 87 OK 100 100 - 100 Peak 5531 from cnoeabs.peaks (7.32, 7.10, 129.20 ppm; 5.95 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 87 + HZ PHE 87 OK 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 5532 from cnoeabs.peaks (7.27, 7.10, 129.20 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 87 + HZ PHE 87 OK 100 100 100 100 2.2-2.2 2.2=100 HE ARG 84 - HZ PHE 87 far 0 87 0 - 7.9-14.1 H ASN 85 - HZ PHE 87 far 0 100 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 5533 from cnoeabs.peaks (7.10, 7.10, 129.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 87 + HZ PHE 87 OK 100 100 - 100 Peak 5534 from cnoeabs.peaks (4.08, 7.07, 131.30 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA PHE 89 + QD PHE 89 OK 100 100 100 100 2.9-3.3 3.1=100 HB2 SER 74 + QD PHE 89 OK 66 87 100 75 6.4-7.8 11187/9674=52, ~11364=24...(5) HB3 SER 74 + QD PHE 89 OK 55 89 95 66 6.3-8.4 11187/9674=34...(4) HA CYS 79 - QD PHE 89 far 4 83 5 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 5535 from cnoeabs.peaks (3.31, 7.07, 131.30 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PHE 89 + QD PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 HB3 CYS 73 + QD PHE 89 OK 99 99 100 100 3.7-6.1 ~11145=83, ~11124=78...(16) HB3 PHE 89 + QD PHE 89 OK 85 85 100 100 2.3-2.7 2.7=100 HB3 TYR 72 - QD PHE 89 poor 11 68 35 45 7.8-9.8 9091/11892=33...(3) Violated in 0 structures by 0.00 A. Peak 5536 from cnoeabs.peaks (3.33, 7.07, 131.30 ppm; 6.80 A): 4 out of 4 assignments used, quality = 1.00: * HB3 PHE 89 + QD PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 HB3 CYS 73 + QD PHE 89 OK 96 96 100 100 3.7-6.1 ~11145=83, ~11124=78...(16) HB2 PHE 89 + QD PHE 89 OK 85 85 100 100 2.3-2.7 2.7=100 HB3 TYR 72 + QD PHE 89 OK 25 99 35 72 7.8-9.8 9091/11892=65...(3) Violated in 0 structures by 0.00 A. Peak 5537 from cnoeabs.peaks (7.07, 7.07, 131.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + QD PHE 89 OK 100 100 - 100 Peak 5538 from cnoeabs.peaks (7.40, 7.07, 131.30 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + QD PHE 89 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5540 from cnoeabs.peaks (7.07, 7.40, 130.90 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 89 + QE PHE 89 OK 100 100 100 100 2.2-2.2 2.2=100 HE ARG 135 - QE PHE 89 far 0 93 0 - 7.6-11.1 Violated in 0 structures by 0.00 A. Peak 5541 from cnoeabs.peaks (7.40, 7.40, 130.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + QE PHE 89 OK 100 100 - 100 Peak 5542 from cnoeabs.peaks (7.30, 7.40, 130.90 ppm; 5.96 A): 2 out of 3 assignments used, quality = 1.00: * HZ PHE 89 + QE PHE 89 OK 100 100 100 100 2.2-2.2 2.2=100 H ARG 135 + QE PHE 89 OK 59 99 65 91 6.5-8.4 10632/10552=73...(7) QD PHE 87 - QE PHE 89 far 0 96 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 5543 from cnoeabs.peaks (7.07, 7.30, 129.21 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + HZ PHE 89 OK 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 5544 from cnoeabs.peaks (7.40, 7.30, 129.21 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + HZ PHE 89 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5545 from cnoeabs.peaks (7.30, 7.30, 129.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 89 + HZ PHE 89 OK 100 100 - 100 Peak 9002 from cnoeabs.peaks (0.61, 0.94, 17.33 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.63: QD1 LEU 42 + QG2 ILE 37 OK 63 63 100 100 2.3-6.2 4.1/10826=66...(29) QD1 LEU 100 - QG2 ILE 37 far 10 100 10 - 6.5-12.1 Violated in 6 structures by 0.16 A. Peak 9003 from cnoeabs.peaks (4.23, 1.97, 38.06 ppm; 4.14 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 34 + HB ILE 37 OK 99 99 100 100 2.7-5.5 10789=98, 9004/2.1=80...(15) HB3 SER 38 + HB ILE 37 OK 78 97 80 99 3.6-6.4 3.9/6422=54, 9050/2.1=41...(28) HA HIS 67 - HB ILE 37 far 0 92 0 - 8.4-16.0 HA ALA 29 - HB ILE 37 far 0 100 0 - 9.7-14.8 HA GLN 27 - HB ILE 37 far 0 97 0 - 9.8-18.9 Violated in 10 structures by 0.11 A. Peak 9004 from cnoeabs.peaks (4.23, 0.94, 17.33 ppm; 4.52 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 34 + QG2 ILE 37 OK 97 97 100 100 1.7-4.9 10872=96, 10789/2.1=86...(16) HB3 SER 38 + QG2 ILE 37 OK 86 96 90 100 4.5-6.1 3.9/6423=65...(26) HA HIS 67 - QG2 ILE 37 far 0 89 0 - 6.3-12.0 HA ALA 29 - QG2 ILE 37 far 0 99 0 - 7.5-11.9 HA GLN 27 - QG2 ILE 37 far 0 98 0 - 8.5-16.5 HA GLU 30 - QG2 ILE 37 far 0 98 0 - 8.6-14.0 Violated in 3 structures by 0.01 A. Peak 9005 from cnoeabs.peaks (4.22, 1.28, 27.60 ppm; 4.71 A): 2 out of 7 assignments used, quality = 1.00: HB3 SER 38 + HG12 ILE 37 OK 100 100 100 100 4.4-6.1 3.9/6424=55...(25) HA ALA 34 + HG12 ILE 37 OK 100 100 100 100 1.8-4.2 10871=99, 10873/2.1=94...(17) HB THR 18 - HG12 ILE 37 far 3 68 5 - 5.5-33.9 HA ALA 29 - HG12 ILE 37 far 0 98 0 - 7.7-12.9 HA GLN 27 - HG12 ILE 37 far 0 73 0 - 8.6-19.0 HA HIS 67 - HG12 ILE 37 far 0 100 0 - 9.4-15.6 HA GLU 30 - HG12 ILE 37 far 0 99 0 - 9.5-14.6 Violated in 0 structures by 0.00 A. Peak 9006 from cnoeabs.peaks (4.22, 1.56, 27.60 ppm; 4.67 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 34 + HG13 ILE 37 OK 100 100 100 100 1.9-3.9 10790=100, 10873/2.1=94...(17) HB3 SER 38 + HG13 ILE 37 OK 25 100 25 100 4.5-7.0 9042/10917=54...(23) HA ALA 29 - HG13 ILE 37 far 0 100 0 - 7.5-14.5 HA HIS 67 - HG13 ILE 37 far 0 99 0 - 7.9-16.1 HA GLN 27 - HG13 ILE 37 far 0 87 0 - 9.6-18.6 Violated in 0 structures by 0.00 A. Peak 9007 from cnoeabs.peaks (4.23, 0.78, 12.54 ppm; 3.36 A): 2 out of 9 assignments used, quality = 1.00: HA ALA 29 + QD1 ILE 32 OK 99 100 100 99 1.6-4.3 10737=66, 10734/3.2=50...(16) HA GLU 30 + QD1 ILE 32 OK 39 100 45 87 1.7-7.0 ~10769=20, 10819/6356=19...(18) HA HIS 67 - QD1 ILE 32 poor 20 98 20 - 4.0-9.6 HA ALA 28 - QD1 ILE 32 poor 15 97 35 44 4.2-7.1 3.6/934=11, 10780=10...(10) HA GLN 27 - QD1 ILE 32 poor 10 89 35 32 2.2-8.9 ~10726=6, 10750/2.1=6...(10) HB THR 25 - QD1 ILE 32 far 4 71 5 - 3.7-13.4 HA ALA 34 - QD1 ILE 32 far 0 100 0 - 5.3-8.7 HA SER 94 - QD1 ILE 32 far 0 99 0 - 7.3-17.0 HB3 SER 38 - QD1 ILE 32 far 0 100 0 - 7.6-13.4 Violated in 0 structures by 0.00 A. Peak 9008 from cnoeabs.peaks (2.97, 0.78, 12.54 ppm; 4.31 A): 7 out of 11 assignments used, quality = 0.99: HE2 LYS 36 + QD1 ILE 32 OK 76 98 80 97 2.0-8.0 1.8/10804=19, 10813=19...(90) HE3 LYS 36 + QD1 ILE 32 OK 72 100 75 97 1.9-8.5 10757/930=22, 10804=20...(89) HE2 LYS 26 + QD1 ILE 32 OK 47 100 55 86 3.4-14.6 3.6/10704=13...(45) HE2 LYS 31 + QD1 ILE 32 OK 46 100 55 84 2.3-9.3 10804=13, 1.8/10804=9...(48) HE3 LYS 31 + QD1 ILE 32 OK 43 100 50 85 2.2-9.8 1.8/10804=12, 10804=10...(50) HE3 LYS 26 + QD1 ILE 32 OK 38 100 45 85 3.3-14.4 3.6/10704=13...(42) HB2 CYS 45 + QD1 ILE 32 OK 21 73 50 58 1.7-10.7 1.8/10847=32, 3.0/928=12...(9) HE2 LYS 24 - QD1 ILE 32 far 0 97 0 - 6.7-15.0 HE3 LYS 24 - QD1 ILE 32 far 0 100 0 - 6.8-15.9 HE3 LYS 19 - QD1 ILE 32 far 0 100 0 - 8.7-22.9 HE2 LYS 19 - QD1 ILE 32 far 0 99 0 - 9.1-23.1 Violated in 0 structures by 0.00 A. Peak 9009 from cnoeabs.peaks (2.31, 0.78, 12.54 ppm; 4.20 A): 2 out of 8 assignments used, quality = 0.81: HG3 GLN 68 + QD1 ILE 32 OK 63 96 75 87 1.8-10.1 11018/2.1=39...(19) HG3 GLU 30 + QD1 ILE 32 OK 50 83 65 93 4.0-7.2 ~10769=35, ~10845=24...(16) HG2 GLU 30 - QD1 ILE 32 poor 15 73 20 - 3.9-7.8 HG2 GLU 44 - QD1 ILE 32 poor 14 68 20 - 2.6-15.3 HB VAL 77 - QD1 ILE 32 far 0 76 0 - 6.4-17.5 HG2 GLU 40 - QD1 ILE 32 far 0 100 0 - 7.2-16.3 HB3 GLN 101 - QD1 ILE 32 far 0 97 0 - 7.3-17.1 HB3 GLN 134 - QD1 ILE 32 far 0 87 0 - 9.9-20.5 Violated in 9 structures by 0.32 A. Peak 9010 from cnoeabs.peaks (3.00, 0.94, 17.33 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.89: HB2 TYR 72 + QG2 ILE 37 OK 89 89 100 100 1.9-5.9 1.8/10825=99...(33) Violated in 3 structures by 0.04 A. Peak 9011 from cnoeabs.peaks (3.11, 0.94, 17.33 ppm; 5.76 A): 2 out of 4 assignments used, quality = 0.77: HB3 TYR 76 + QG2 ILE 37 OK 59 85 70 100 2.7-8.8 1.8/10823=100...(19) HB3 CYS 45 + QG2 ILE 37 OK 44 83 55 96 2.9-9.4 9547/9021=69...(6) HB2 HIS 7 - QG2 ILE 37 far 0 100 0 - 7.9-38.7 HB2 HIS 8 - QG2 ILE 37 far 0 76 0 - 9.9-37.6 Violated in 0 structures by 0.00 A. Peak 9013 from cnoeabs.peaks (4.52, 4.02, 61.28 ppm; 6.22 A): 3 out of 3 assignments used, quality = 1.00: HA ASP 35 + HA ILE 37 OK 99 100 100 99 6.3-7.0 10807/1078=59...(16) HA SER 38 + HA ILE 37 OK 93 93 100 100 4.8-5.3 10924/3.2=84...(23) HA TYR 72 + HA ILE 37 OK 53 71 75 100 3.7-8.9 ~9010=65, ~10825=64...(23) Violated in 0 structures by 0.00 A. Peak 9014 from cnoeabs.peaks (4.53, 1.97, 38.06 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: HA ASP 35 + HB ILE 37 OK 99 99 100 100 5.1-7.8 6388/10894=99...(14) HA SER 38 + HB ILE 37 OK 97 97 100 100 3.7-5.9 3.0/6422=100...(33) HA TYR 72 + HB ILE 37 OK 78 78 100 100 3.3-7.7 ~9010=87, ~9022=87...(32) Violated in 0 structures by 0.00 A. Peak 9015 from cnoeabs.peaks (4.53, 0.94, 17.33 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: HA SER 38 + QG2 ILE 37 OK 99 99 100 100 4.0-5.7 3.0/6423=74, 10924=72...(38) HA TYR 72 + QG2 ILE 37 OK 69 87 80 100 2.4-6.7 3.4/9022=68, 3.0/9010=67...(27) HA ASP 35 - QG2 ILE 37 far 15 97 15 - 4.4-7.0 Violated in 8 structures by 0.21 A. Peak 9016 from cnoeabs.peaks (4.53, 1.28, 27.60 ppm; 5.17 A): 3 out of 3 assignments used, quality = 1.00: HA SER 38 + HG12 ILE 37 OK 100 100 100 100 3.4-5.9 3.0/6424=77...(31) HA ASP 35 + HG12 ILE 37 OK 93 93 100 100 3.5-6.2 10885/10915=59...(14) HA TYR 72 + HG12 ILE 37 OK 84 93 90 100 3.8-10.3 11134/1092=66...(25) Violated in 0 structures by 0.00 A. Peak 9017 from cnoeabs.peaks (4.55, 1.56, 27.60 ppm; 6.05 A): 3 out of 3 assignments used, quality = 1.00: HA SER 38 + HG13 ILE 37 OK 98 98 100 100 3.4-6.4 10924/3.2=89...(32) HA TYR 72 + HG13 ILE 37 OK 95 100 95 100 3.6-9.9 11134/1093=91...(27) HA ASP 35 + HG13 ILE 37 OK 66 68 100 97 4.6-7.0 10807/2.1=38...(12) Violated in 0 structures by 0.00 A. Peak 9019 from cnoeabs.peaks (6.50, 0.94, 17.33 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.65: QD TYR 76 + QG2 ILE 37 OK 55 100 55 99 2.5-8.9 2.6/10823=55...(20) QE TYR 76 + QG2 ILE 37 OK 24 63 40 94 4.0-10.0 4.5/10823=36...(16) Violated in 12 structures by 1.55 A. Peak 9020 from cnoeabs.peaks (6.49, 1.97, 38.06 ppm; 5.67 A): 2 out of 2 assignments used, quality = 0.91: QD TYR 76 + HB ILE 37 OK 83 97 85 100 4.0-10.9 9019/2.1=99...(20) QE TYR 76 + HB ILE 37 OK 50 83 60 100 5.0-12.3 ~9019=85, ~10841=58...(13) Violated in 9 structures by 0.60 A. Peak 9021 from cnoeabs.peaks (6.80, 0.94, 17.33 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.94: QE TYR 72 + QG2 ILE 37 OK 94 99 95 100 1.8-6.6 2.2/9022=97...(33) HE21 GLN 127 - QG2 ILE 37 far 0 85 0 - 9.7-17.5 Violated in 8 structures by 0.31 A. Peak 9022 from cnoeabs.peaks (7.14, 0.94, 17.33 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.97: QD TYR 72 + QG2 ILE 37 OK 97 97 100 100 1.7-5.2 2.2/9021=67, 2.7/9010=64...(48) HD2 HIS 67 - QG2 ILE 37 far 0 93 0 - 5.6-14.2 Violated in 8 structures by 0.15 A. Peak 9023 from cnoeabs.peaks (8.33, 0.94, 17.33 ppm; 5.22 A): 2 out of 7 assignments used, quality = 0.93: H TYR 72 + QG2 ILE 37 OK 90 100 90 100 3.0-6.9 6983/9022=80...(26) H GLU 44 + QG2 ILE 37 OK 30 99 35 88 5.7-9.5 9130/10819=56...(8) H LEU 69 - QG2 ILE 37 poor 16 63 25 - 2.4-9.9 H GLY 17 - QG2 ILE 37 far 10 99 10 - 4.8-26.9 H ALA 21 - QG2 ILE 37 far 8 85 10 - 6.2-24.9 H LYS 19 - QG2 ILE 37 far 4 78 5 - 5.8-25.2 H LEU 49 - QG2 ILE 37 far 0 73 0 - 6.9-13.9 Violated in 13 structures by 0.32 A. Peak 9024 from cnoeabs.peaks (7.14, 0.78, 12.10 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.95: QD TYR 72 + QD1 ILE 37 OK 95 95 100 100 1.8-5.4 9022/1094=84...(43) HD2 HIS 67 - QD1 ILE 37 far 4 89 5 - 6.0-12.7 HE22 GLN 134 - QD1 ILE 37 far 0 100 0 - 9.1-17.4 Violated in 1 structures by 0.02 A. Peak 9025 from cnoeabs.peaks (6.81, 0.78, 12.10 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.89: QE TYR 72 + QD1 ILE 37 OK 89 99 90 100 2.2-6.4 9021/1094=69...(26) HE21 GLN 127 - QD1 ILE 37 far 0 99 0 - 8.4-18.7 Violated in 7 structures by 0.39 A. Peak 9026 from cnoeabs.peaks (7.82, 0.78, 12.10 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.46: H GLY 75 + QD1 ILE 37 OK 46 60 80 96 5.1-11.5 ~10667=47, 3.1/9610=46...(13) Violated in 20 structures by 1.03 A. Peak 9027 from cnoeabs.peaks (7.49, 0.94, 17.33 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: H LEU 42 + QG2 ILE 37 OK 100 100 100 100 4.3-6.3 1285/10819=90...(10) H GLN 134 - QG2 ILE 37 far 0 100 0 - 9.8-13.1 Violated in 10 structures by 0.24 A. Peak 9030 from cnoeabs.peaks (6.49, 4.01, 64.43 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.70: QE TYR 76 + HB2 SER 38 OK 55 83 70 95 3.3-9.5 9034/1.8=73, ~9034=31...(9) QD TYR 76 + HB2 SER 38 OK 32 97 35 95 4.6-8.5 ~9034=60, 9034/1.8=42...(8) Violated in 16 structures by 0.77 A. Peak 9032 from cnoeabs.peaks (6.49, 4.54, 58.15 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.93: QD TYR 76 + HA SER 38 OK 80 96 85 98 2.4-8.5 9019/10846=58, ~9034=47...(13) QE TYR 76 + HA SER 38 OK 67 87 80 96 2.0-9.9 9034/3.0=64, 9030/3.0=42...(13) Violated in 5 structures by 0.31 A. Peak 9033 from cnoeabs.peaks (7.90, 4.22, 64.43 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: H ALA 41 + HB3 SER 38 OK 100 100 100 100 3.1-5.4 3.0/9042=70...(16) Violated in 2 structures by 0.04 A. Peak 9034 from cnoeabs.peaks (6.50, 4.22, 64.43 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.66: QD TYR 76 + HB3 SER 38 OK 49 100 50 98 4.5-10.0 9019/9050=59, ~9030=42...(10) QE TYR 76 + HB3 SER 38 OK 33 63 55 95 3.9-11.0 9030/1.8=54, 9032/3.0=31...(11) Violated in 17 structures by 1.02 A. Peak 9036 from cnoeabs.peaks (6.47, 3.40, 59.82 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + HA LYS 39 OK 99 100 100 100 1.9-6.1 9625=70, 10558/10578=65...(19) Violated in 2 structures by 0.08 A. Peak 9037 from cnoeabs.peaks (6.46, 2.08, 32.42 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.95: QE TYR 76 + HB3 LYS 39 OK 95 96 100 100 1.8-5.5 9036/3.0=87...(14) Violated in 0 structures by 0.00 A. Peak 9042 from cnoeabs.peaks (1.17, 4.22, 64.43 ppm; 4.55 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 41 + HB3 SER 38 OK 100 100 100 100 1.9-5.1 10845/3.0=69...(20) QG2 THR 18 - HB3 SER 38 far 5 100 5 - 5.9-33.1 HG3 LYS 39 - HB3 SER 38 far 0 95 0 - 6.2-7.2 QG2 THR 25 - HB3 SER 38 far 0 87 0 - 6.5-23.1 HG12 ILE 32 - HB3 SER 38 far 0 99 0 - 8.2-15.7 Violated in 1 structures by 0.03 A. Peak 9043 from cnoeabs.peaks (1.16, 4.01, 64.43 ppm; 4.49 A): 2 out of 7 assignments used, quality = 0.99: QB ALA 41 + HB2 SER 38 OK 97 97 100 100 2.6-4.9 9042/1.8=78...(12) HG3 LYS 39 + HB2 SER 38 OK 53 100 100 53 4.5-5.7 4.7/1129=46, 9630/9030=8 HG2 LYS 39 - HB2 SER 38 poor 17 68 25 - 4.7-6.8 QG2 THR 18 - HB2 SER 38 far 0 97 0 - 6.1-33.3 QG2 THR 25 - HB2 SER 38 far 0 65 0 - 6.5-23.2 HG12 ILE 32 - HB2 SER 38 far 0 100 0 - 8.9-17.1 QG2 VAL 132 - HB2 SER 38 far 0 78 0 - 9.7-14.8 Violated in 1 structures by 0.00 A. Peak 9046 from cnoeabs.peaks (2.04, 4.22, 64.43 ppm; 5.29 A): 1 out of 4 assignments used, quality = 0.84: HB3 GLU 40 + HB3 SER 38 OK 84 100 90 94 5.5-6.9 6460/10921=65...(6) HB2 GLU 44 - HB3 SER 38 far 0 90 0 - 7.0-10.0 HB3 GLN 27 - HB3 SER 38 far 0 81 0 - 8.4-23.0 HG3 PRO 81 - HB3 SER 38 far 0 96 0 - 9.1-16.3 Violated in 20 structures by 1.07 A. Peak 9050 from cnoeabs.peaks (0.93, 4.22, 64.43 ppm; 5.45 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 37 + HB3 SER 38 OK 100 100 100 100 4.5-6.1 6423/3.9=84...(27) QG1 VAL 20 - HB3 SER 38 far 4 73 5 - 2.8-27.4 QD2 LEU 48 - HB3 SER 38 far 0 76 0 - 9.2-15.7 QD1 LEU 48 - HB3 SER 38 far 0 99 0 - 9.5-13.3 Violated in 14 structures by 0.19 A. Peak 9053 from cnoeabs.peaks (0.83, 3.40, 59.82 ppm; 5.27 A): 2 out of 6 assignments used, quality = 0.99: QG1 VAL 133 + HA LYS 39 OK 99 99 100 100 3.7-6.7 10578=98, 10585/10870=78...(18) QG2 ILE 129 + HA LYS 39 OK 40 99 45 91 5.7-8.1 10486/10870=81...(11) HG13 ILE 80 - HA LYS 39 poor 12 99 30 40 5.1-11.5 9745/9036=33...(5) QG2 ILE 80 - HA LYS 39 poor 8 90 30 30 5.6-11.2 9739/9036=21...(6) QG2 ILE 32 - HA LYS 39 far 0 71 0 - 7.7-12.5 QD1 LEU 70 - HA LYS 39 far 0 97 0 - 9.9-14.4 Violated in 7 structures by 0.16 A. Peak 9054 from cnoeabs.peaks (1.18, 1.90, 28.28 ppm; 4.92 A): 2 out of 4 assignments used, quality = 0.99: QB ALA 41 + HB2 GLU 40 OK 97 97 100 100 3.9-4.9 3.0/6470=82, 10931=60...(20) HG3 LYS 39 + HB2 GLU 40 OK 65 73 100 88 3.7-5.2 9056/3.0=32, 9059/3.0=29...(10) QG2 THR 25 - HB2 GLU 40 far 5 99 5 - 3.5-25.8 HG12 ILE 32 - HB2 GLU 40 far 0 87 0 - 7.4-21.1 Violated in 0 structures by 0.00 A. Peak 9055 from cnoeabs.peaks (0.71, 3.84, 59.43 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 43 + HA GLU 40 OK 97 97 100 100 1.8-4.0 11896=85, 2.1/11805=46...(30) Violated in 0 structures by 0.00 A. Peak 9056 from cnoeabs.peaks (1.17, 3.84, 59.43 ppm; 4.86 A): 2 out of 6 assignments used, quality = 1.00: QB ALA 41 + HA GLU 40 OK 100 100 100 100 5.0-5.0 ~6463=45, 10931/3.0=42...(23) HG3 LYS 39 + HA GLU 40 OK 97 97 100 100 2.7-3.4 11901/9055=68, ~1203=40...(28) QG2 THR 25 - HA GLU 40 far 4 83 5 - 4.8-25.3 HG12 ILE 32 - HA GLU 40 far 0 100 0 - 8.2-20.5 QG2 VAL 132 - HA GLU 40 far 0 60 0 - 9.1-12.7 QG2 THR 18 - HA GLU 40 far 0 100 0 - 9.9-34.5 Violated in 0 structures by 0.00 A. Peak 9059 from cnoeabs.peaks (1.18, 2.31, 35.29 ppm; 5.75 A): 3 out of 10 assignments used, quality = 1.00: QB ALA 41 + HG2 GLU 40 OK 97 97 100 100 2.8-6.2 3.0/1267=75, ~1274=63...(19) HG3 LYS 39 + HG2 GLU 40 OK 66 73 100 90 2.6-5.9 10930/1.8=39...(9) HG12 ILE 32 + HG3 GLU 30 OK 47 52 90 100 4.8-7.5 ~10769=68, ~10845=48...(13) QG2 THR 25 - HG2 GLU 40 far 10 99 10 - 4.1-24.7 QG2 THR 18 - HG3 GLU 30 far 6 64 10 - 5.0-20.9 QG2 THR 25 - HG3 GLU 30 lone 3 65 45 10 3.1-10.9 10779/10786=4, 10766/3.0=3 QG2 VAL 77 - HG3 GLU 30 far 0 68 0 - 7.5-23.8 QB ALA 41 - HG3 GLU 30 far 0 63 0 - 8.1-16.3 HG12 ILE 32 - HG2 GLU 40 far 0 87 0 - 8.2-19.5 QG2 THR 18 - HG2 GLU 40 far 0 98 0 - 8.8-33.6 Violated in 0 structures by 0.00 A. Peak 9061 from cnoeabs.peaks (8.30, 1.17, 17.90 ppm; 4.27 A): 3 out of 9 assignments used, quality = 0.99: H LEU 43 + QB ALA 41 OK 87 89 100 98 4.3-4.9 3.9/1285=60, 3.6/9066=46...(19) H GLU 40 + QB ALA 41 OK 72 73 100 98 4.3-4.7 6463/3.0=44, 2.8/9056=33...(19) H GLU 44 + QB ALA 41 OK 61 63 100 97 4.2-4.9 3.9/10857=39...(16) H GLY 17 - QB ALA 41 far 5 92 5 - 5.2-27.3 H ALA 28 - QB ALA 41 far 0 78 0 - 5.9-16.9 H ALA 21 - QB ALA 41 far 0 100 0 - 6.2-25.6 H TYR 72 - QB ALA 41 far 0 89 0 - 6.3-8.4 H LEU 69 - QB ALA 41 far 0 99 0 - 6.8-10.0 H LEU 49 - QB ALA 41 far 0 100 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 9062 from cnoeabs.peaks (7.13, 1.17, 17.90 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.81: QD TYR 72 + QB ALA 41 OK 81 81 100 100 3.3-5.6 2.2/9063=92...(15) HE22 GLN 134 - QB ALA 41 far 0 100 0 - 8.2-14.5 HD2 HIS 67 - QB ALA 41 far 0 71 0 - 9.7-16.0 Violated in 11 structures by 0.25 A. Peak 9063 from cnoeabs.peaks (6.81, 1.17, 17.90 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.85: QE TYR 72 + QB ALA 41 OK 85 100 85 100 3.9-6.3 9551=81, 2.2/9062=71...(18) HE21 GLN 127 - QB ALA 41 far 0 93 0 - 9.1-15.3 Violated in 19 structures by 0.85 A. Peak 9064 from cnoeabs.peaks (2.51, 3.91, 54.68 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: HG3 GLU 44 + HA ALA 41 OK 100 100 100 100 2.3-4.6 3.0/1409=96, 3.0/1401=95...(18) Violated in 0 structures by 0.00 A. Peak 9065 from cnoeabs.peaks (2.33, 3.91, 54.68 ppm; 5.27 A): 2 out of 6 assignments used, quality = 1.00: HG2 GLU 44 + HA ALA 41 OK 97 97 100 100 2.8-5.5 3.0/1409=92, 3.0/1401=91...(19) HG2 GLU 40 + HA ALA 41 OK 95 95 100 100 3.4-6.6 1262/4.9=62, 1267/2.9=59...(23) HG2 GLN 27 - HA ALA 41 far 4 71 5 - 3.6-23.4 HG3 GLN 68 - HA ALA 41 far 0 100 0 - 7.2-12.1 HB3 GLN 134 - HA ALA 41 far 0 100 0 - 8.9-11.5 HG3 GLU 30 - HA ALA 41 far 0 100 0 - 9.0-21.3 Violated in 0 structures by 0.00 A. Peak 9069 from cnoeabs.peaks (0.93, 1.17, 17.90 ppm; 4.02 A): 1 out of 7 assignments used, quality = 0.99: QG2 ILE 37 + QB ALA 41 OK 99 99 100 100 1.9-5.4 10819=99, 1094/9070=56...(25) QG1 VAL 20 - QB ALA 41 far 8 81 10 - 4.3-20.8 QD2 LEU 48 - QB ALA 41 far 4 83 5 - 4.7-9.7 QD1 LEU 48 - QB ALA 41 far 0 100 0 - 5.9-8.0 QG1 VAL 126 - QB ALA 41 far 0 63 0 - 7.8-10.9 QD1 LEU 49 - QB ALA 41 far 0 90 0 - 8.3-10.2 QD1 LEU 123 - QB ALA 41 far 0 100 0 - 9.9-13.6 Violated in 10 structures by 0.37 A. Peak 9070 from cnoeabs.peaks (0.78, 1.17, 17.90 ppm; 4.48 A): 3 out of 8 assignments used, quality = 1.00: QD1 ILE 37 + QB ALA 41 OK 100 100 100 100 1.9-5.6 1094/10819=89...(19) QD2 LEU 43 + QB ALA 41 OK 30 81 50 74 5.1-7.0 1390/9130=25...(11) QD1 ILE 32 + QB ALA 41 OK 26 100 45 57 2.1-10.4 10849/10859=29...(9) QD2 LEU 49 - QB ALA 41 far 0 81 0 - 6.5-8.8 QD2 LEU 96 - QB ALA 41 far 0 65 0 - 8.4-12.3 QD1 LEU 96 - QB ALA 41 far 0 100 0 - 8.8-11.0 QG1 VAL 93 - QB ALA 41 far 0 68 0 - 9.2-11.6 QD2 LEU 122 - QB ALA 41 far 0 97 0 - 9.7-13.2 Violated in 3 structures by 0.08 A. Peak 9072 from cnoeabs.peaks (1.00, 3.48, 59.85 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 69 + HA LEU 42 OK 93 98 95 100 1.9-6.6 11039/3.9=76, 11074=66...(21) Violated in 6 structures by 0.14 A. Peak 9073 from cnoeabs.peaks (1.17, 3.48, 59.85 ppm; 5.01 A): 1 out of 6 assignments used, quality = 1.00: QB ALA 41 + HA LEU 42 OK 100 100 100 100 3.6-3.8 9066=100, 1285/2.8=91...(9) HG12 ILE 32 - HA LEU 42 far 5 99 5 - 6.3-14.8 QG2 THR 25 - HA LEU 42 far 4 85 5 - 6.4-21.4 HG3 LYS 39 - HA LEU 42 far 0 96 0 - 6.8-8.4 QG2 VAL 77 - HA LEU 42 far 0 95 0 - 9.5-12.1 QG2 THR 18 - HA LEU 42 far 0 100 0 - 9.6-29.4 Violated in 0 structures by 0.00 A. Peak 9078 from cnoeabs.peaks (1.01, 1.49, 28.46 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 69 + HG LEU 42 OK 90 100 90 100 1.8-6.8 11039/2.1=95...(37) QG2 VAL 133 + HG LEU 42 OK 60 60 100 100 3.4-5.7 ~10585=63, ~10585=63...(29) Violated in 0 structures by 0.00 A. Peak 9079 from cnoeabs.peaks (0.28, 0.63, 27.44 ppm; 5.28 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 93 + QD1 LEU 42 OK 95 100 95 100 4.3-7.1 11424/11800=71...(22) QD1 ILE 80 + QD1 LEU 42 OK 78 92 85 100 4.2-7.4 10588/11676=82...(25) Violated in 3 structures by 0.07 A. Peak 9080 from cnoeabs.peaks (0.28, 0.56, 24.08 ppm; 5.54 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QD2 LEU 42 OK 98 98 100 100 3.8-6.7 11424/11891=79...(19) QD1 ILE 80 + QD2 LEU 42 OK 92 97 95 100 3.4-7.3 10588/10587=93...(26) Violated in 1 structures by 0.02 A. Peak 9081 from cnoeabs.peaks (0.83, 0.56, 24.08 ppm; 2.94 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 133 + QD2 LEU 42 OK 99 99 100 100 1.8-3.5 10585=55, 2.1/10587=54...(44) QG2 ILE 129 + QD2 LEU 42 OK 87 98 90 98 1.7-4.6 10486=74, 11245/9177=29...(32) QG2 ILE 80 - QD2 LEU 42 far 9 89 10 - 3.5-8.3 HG13 ILE 80 - QD2 LEU 42 far 0 99 0 - 4.7-9.1 QD2 LEU 70 - QD2 LEU 42 far 0 68 0 - 5.0-9.7 QD1 LEU 70 - QD2 LEU 42 far 0 96 0 - 5.7-10.5 QG2 ILE 32 - QD2 LEU 42 far 0 73 0 - 6.6-10.6 QD1 LEU 122 - QD2 LEU 42 far 0 73 0 - 6.9-11.3 Violated in 1 structures by 0.02 A. Peak 9082 from cnoeabs.peaks (1.02, 0.56, 24.08 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.96: QG2 VAL 133 + QD2 LEU 42 OK 87 87 100 100 1.9-3.5 10587=69, 2.1/10585=50...(39) QD1 LEU 69 + QD2 LEU 42 OK 70 93 75 99 1.8-7.3 11039=62, 2.1/11042=34...(39) Violated in 2 structures by 0.02 A. Peak 9083 from cnoeabs.peaks (0.82, 0.63, 27.44 ppm; 3.55 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 133 + QD1 LEU 42 OK 95 95 100 100 2.4-4.5 2.1/11774=67...(39) QG2 ILE 129 + QD1 LEU 42 OK 94 100 95 99 2.5-5.2 10486/2.1=75, 4142=45...(35) QG2 ILE 80 - QD1 LEU 42 far 15 97 15 - 3.7-8.5 QD2 LEU 49 - QD1 LEU 42 far 10 65 15 - 4.8-7.9 HG13 ILE 80 - QD1 LEU 42 far 5 100 5 - 4.7-9.7 QD1 LEU 70 - QD1 LEU 42 far 0 100 0 - 5.5-10.2 QD1 LEU 122 - QD1 LEU 42 far 0 89 0 - 7.3-11.2 QD1 LEU 53 - QD1 LEU 42 far 0 57 0 - 7.6-12.8 Violated in 4 structures by 0.04 A. Peak 9084 from cnoeabs.peaks (1.01, 0.63, 27.44 ppm; 3.64 A): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 69 + QD1 LEU 42 OK 89 99 90 100 1.8-6.2 11039/2.1=74, 11065=49...(43) QG2 VAL 133 + QD1 LEU 42 OK 68 68 100 100 2.8-4.9 11676=54, 9082/2.1=47...(37) Violated in 2 structures by 0.02 A. Peak 9085 from cnoeabs.peaks (1.65, 0.56, 24.08 ppm; 4.07 A): 1 out of 8 assignments used, quality = 0.99: HG LEU 43 + QD2 LEU 42 OK 99 100 100 99 1.7-5.4 2.1/9129=77...(12) HB2 LEU 69 - QD2 LEU 42 far 11 76 15 - 3.5-8.2 HD2 LYS 36 - QD2 LEU 42 far 7 73 10 - 4.6-11.6 HD3 LYS 36 - QD2 LEU 42 far 4 73 5 - 5.2-11.5 QB ALA 88 - QD2 LEU 42 far 0 92 0 - 7.6-9.9 HD2 LYS 86 - QD2 LEU 42 far 0 95 0 - 8.2-11.5 HD3 LYS 86 - QD2 LEU 42 far 0 95 0 - 8.3-12.1 HD2 LYS 95 - QD2 LEU 42 far 0 99 0 - 9.8-16.3 Violated in 11 structures by 0.41 A. Peak 9086 from cnoeabs.peaks (2.04, 0.56, 24.08 ppm; 5.54 A): 1 out of 8 assignments used, quality = 0.58: HG3 PRO 81 + QD2 LEU 42 OK 58 97 70 86 5.4-9.7 2.3/10877=34...(12) HB2 GLU 44 - QD2 LEU 42 poor 17 89 35 55 5.8-7.7 1254/6504=33...(5) HB2 GLN 134 - QD2 LEU 42 far 12 83 15 - 6.1-8.7 HB3 GLU 40 - QD2 LEU 42 poor 11 100 25 44 6.2-8.7 10940/6504=21...(5) HB2 GLN 127 - QD2 LEU 42 far 9 90 10 - 7.0-11.1 HG3 ARG 135 - QD2 LEU 42 far 0 99 0 - 7.3-9.9 HB3 GLN 27 - QD2 LEU 42 far 0 83 0 - 7.6-19.9 HG2 ARG 90 - QD2 LEU 42 far 0 87 0 - 8.6-12.2 Violated in 19 structures by 1.34 A. Peak 9087 from cnoeabs.peaks (2.19, 0.56, 24.08 ppm; 4.97 A): 2 out of 5 assignments used, quality = 1.00: HB VAL 133 + QD2 LEU 42 OK 100 100 100 100 2.1-4.4 2.1/10587=100...(37) HB3 LEU 69 + QD2 LEU 42 OK 37 68 55 100 4.8-8.0 3.2/11066=83...(36) HB3 GLN 68 - QD2 LEU 42 far 0 95 0 - 7.8-10.3 HB2 GLN 68 - QD2 LEU 42 far 0 63 0 - 8.4-10.8 HB2 GLN 82 - QD2 LEU 42 far 0 97 0 - 9.0-13.1 Violated in 0 structures by 0.00 A. Peak 9089 from cnoeabs.peaks (2.93, 1.49, 28.46 ppm; 6.20 A): 2 out of 5 assignments used, quality = 1.00: HB2 CYS 45 + HG LEU 42 OK 96 96 100 100 4.2-7.4 1295/3.7=82...(13) HG CYS 73 + HG LEU 42 OK 89 99 90 99 2.8-7.8 9097/2.1=50...(17) HE3 LYS 39 - HG LEU 42 far 15 100 15 - 6.3-10.9 HE2 LYS 39 - HG LEU 42 far 10 100 10 - 6.0-11.0 HE2 LYS 36 - HG LEU 42 far 10 65 15 - 4.8-12.8 Violated in 0 structures by 0.00 A. Peak 9091 from cnoeabs.peaks (3.35, 0.63, 27.44 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.99: HB3 TYR 72 + QD1 LEU 42 OK 99 99 100 100 1.9-5.1 1.8/10874=90...(34) HB3 CYS 73 + QD1 LEU 42 OK 62 65 95 100 2.4-7.7 1.8/9094=49, 3.8/9104=48...(26) HB3 PHE 89 - QD1 LEU 42 far 5 92 5 - 6.2-8.9 HB2 HIS 67 - QD1 LEU 42 far 0 99 0 - 9.0-12.3 Violated in 1 structures by 0.01 A. Peak 9092 from cnoeabs.peaks (3.13, 0.63, 27.44 ppm; 4.64 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 76 + QD1 LEU 42 OK 100 100 100 100 2.0-4.1 9635=98, 1.8/9617=77...(25) HB3 CYS 45 + QD1 LEU 42 OK 45 100 45 99 4.4-7.5 1.8/9093=76...(13) HB3 HIS 3 - QD1 LEU 42 far 0 68 0 - 9.5-52.2 HB3 HIS 7 - QD1 LEU 42 far 0 68 0 - 9.5-44.7 Violated in 0 structures by 0.00 A. Peak 9093 from cnoeabs.peaks (2.95, 0.63, 27.44 ppm; 4.60 A): 2 out of 14 assignments used, quality = 0.96: HB2 CYS 45 + QD1 LEU 42 OK 81 99 85 97 4.6-6.6 9097/2.1=55...(9) HG CYS 73 + QD1 LEU 42 OK 77 93 85 97 2.2-6.4 9555/9104=41...(16) HE2 LYS 36 - QD1 LEU 42 far 15 99 15 - 4.9-11.3 HE3 LYS 36 - QD1 LEU 42 far 10 97 10 - 5.0-12.1 HE2 LYS 39 - QD1 LEU 42 far 8 85 10 - 5.8-8.9 HE3 LYS 39 - QD1 LEU 42 far 4 76 5 - 6.1-9.9 HE2 LYS 26 - QD1 LEU 42 far 0 89 0 - 8.1-24.1 HE3 LYS 24 - QD1 LEU 42 far 0 97 0 - 8.3-25.0 HE3 LYS 26 - QD1 LEU 42 far 0 89 0 - 8.5-23.6 HE2 LYS 31 - QD1 LEU 42 far 0 93 0 - 8.5-16.3 HE3 LYS 86 - QD1 LEU 42 far 0 98 0 - 9.2-12.5 HD2 ARG 135 - QD1 LEU 42 far 0 96 0 - 9.3-12.7 HE2 LYS 24 - QD1 LEU 42 far 0 100 0 - 9.5-24.3 HE3 LYS 31 - QD1 LEU 42 far 0 89 0 - 9.5-16.8 Violated in 5 structures by 0.13 A. Peak 9094 from cnoeabs.peaks (2.74, 0.63, 27.44 ppm; 4.39 A): 2 out of 6 assignments used, quality = 0.99: HB2 CYS 73 + QD1 LEU 42 OK 93 99 95 99 2.5-7.6 3.0/9570=41, 3.8/9104=38...(22) HB2 TYR 76 + QD1 LEU 42 OK 89 89 100 100 2.1-4.6 1.8/9635=71, 9617=68...(22) HB2 ASP 47 - QD1 LEU 42 far 0 68 0 - 6.0-10.6 HB3 ASP 78 - QD1 LEU 42 far 0 100 0 - 7.6-10.0 HB2 CYS 125 - QD1 LEU 42 far 0 99 0 - 8.3-12.3 HB3 ASP 35 - QD1 LEU 42 far 0 99 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 9095 from cnoeabs.peaks (3.34, 0.56, 24.08 ppm; 5.75 A): 4 out of 4 assignments used, quality = 1.00: HB3 TYR 72 + QD2 LEU 42 OK 100 100 100 100 3.9-5.1 1.8/10875=99...(31) HB3 CYS 73 + QD2 LEU 42 OK 85 85 100 100 2.7-6.7 1.8/9098=51...(29) HB3 PHE 89 + QD2 LEU 42 OK 83 99 85 98 5.6-8.2 4.5/11891=78...(10) HB2 PHE 89 + QD2 LEU 42 OK 50 68 75 97 5.4-8.6 4.5/11891=78...(9) Violated in 0 structures by 0.00 A. Peak 9097 from cnoeabs.peaks (2.94, 0.56, 24.08 ppm; 4.56 A): 3 out of 11 assignments used, quality = 0.96: HG CYS 73 + QD2 LEU 42 OK 88 100 90 98 3.0-8.3 11071/11066=41...(18) HB2 CYS 45 + QD2 LEU 42 OK 60 100 60 100 4.9-7.8 11062/11066=66...(15) HE2 LYS 39 + QD2 LEU 42 OK 23 99 25 94 4.8-8.9 10577/10585=48...(12) HE3 LYS 39 - QD2 LEU 42 poor 19 97 20 - 5.1-9.0 HE3 LYS 36 - QD2 LEU 42 far 8 76 10 - 5.4-12.4 HE2 LYS 36 - QD2 LEU 42 far 4 85 5 - 5.9-11.5 HD2 ARG 135 - QD2 LEU 42 far 0 100 0 - 7.7-10.9 HE3 LYS 86 - QD2 LEU 42 far 0 81 0 - 8.5-12.8 HE2 LYS 26 - QD2 LEU 42 far 0 60 0 - 9.5-24.7 HE3 LYS 26 - QD2 LEU 42 far 0 60 0 - 9.9-24.2 HE2 LYS 31 - QD2 LEU 42 far 0 68 0 - 10.0-17.1 Violated in 3 structures by 0.05 A. Peak 9099 from cnoeabs.peaks (3.78, 0.56, 24.08 ppm; 3.84 A): 4 out of 6 assignments used, quality = 1.00: HA SER 130 + QD2 LEU 42 OK 98 100 100 98 1.9-4.7 11747/9129=46...(21) HA LEU 43 + QD2 LEU 42 OK 95 100 95 100 2.2-5.6 10883=57, 2.8/6504=53...(22) HB3 SER 130 + QD2 LEU 42 OK 64 100 70 92 3.4-7.0 10508/9177=45...(16) HA VAL 133 + QD2 LEU 42 OK 63 97 65 100 3.9-6.2 3.2/10587=65...(33) HA ARG 90 - QD2 LEU 42 far 0 90 0 - 6.6-10.7 HA GLU 97 - QD2 LEU 42 far 0 90 0 - 9.7-12.6 Violated in 1 structures by 0.01 A. Peak 9100 from cnoeabs.peaks (4.34, 0.56, 24.08 ppm; 6.49 A): 4 out of 7 assignments used, quality = 1.00: HA GLN 134 + QD2 LEU 42 OK 97 97 100 100 5.0-7.6 11761/10585=89...(15) HA LEU 69 + QD2 LEU 42 OK 96 96 100 100 4.7-6.7 3.9/11066=93...(22) HA2 GLY 75 + QD2 LEU 42 OK 47 71 70 95 6.2-9.0 4.9/9096=79, 4.9/9098=37...(7) HA ASP 47 + QD2 LEU 42 OK 26 100 35 74 6.3-9.7 10901/9177=53...(3) HA PRO 81 - QD2 LEU 42 poor 20 99 20 - 7.1-11.0 HA CYS 125 - QD2 LEU 42 far 5 96 5 - 7.8-11.7 HA LYS 24 - QD2 LEU 42 far 0 99 0 - 9.9-24.5 Violated in 0 structures by 0.00 A. Peak 9102 from cnoeabs.peaks (4.36, 0.63, 27.44 ppm; 4.18 A): 2 out of 8 assignments used, quality = 0.85: HA CYS 73 + QD1 LEU 42 OK 64 68 95 99 1.8-5.7 11565/3.2=43...(25) HA LEU 69 + QD1 LEU 42 OK 57 63 95 95 3.0-6.6 9100/2.1=35, 3.9/9084=32...(22) HA GLN 134 - QD1 LEU 42 far 0 99 0 - 6.1-9.2 HA ASP 47 - QD1 LEU 42 far 0 90 0 - 7.0-10.4 HA ASP 78 - QD1 LEU 42 far 0 71 0 - 8.1-10.5 HA PRO 81 - QD1 LEU 42 far 0 78 0 - 8.3-10.9 HA CYS 125 - QD1 LEU 42 far 0 100 0 - 8.5-12.1 HA LYS 24 - QD1 LEU 42 far 0 73 0 - 9.0-23.0 Violated in 1 structures by 0.06 A. Peak 9103 from cnoeabs.peaks (8.03, 0.63, 27.44 ppm; 5.04 A): 3 out of 5 assignments used, quality = 1.00: H TYR 76 + QD1 LEU 42 OK 97 97 100 100 3.6-5.8 9609=96, 10667/10821=74...(15) H SER 130 + QD1 LEU 42 OK 88 100 90 98 4.0-7.6 10562/11676=66...(14) H CYS 79 + QD1 LEU 42 OK 28 97 35 82 5.9-8.4 11162/9615=38...(9) H LEU 48 - QD1 LEU 42 far 0 96 0 - 7.2-10.2 H CYS 125 - QD1 LEU 42 far 0 97 0 - 9.2-12.9 Violated in 1 structures by 0.01 A. Peak 9104 from cnoeabs.peaks (8.86, 0.63, 27.44 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.99: H CYS 73 + QD1 LEU 42 OK 99 99 100 100 2.3-6.5 4.4/9091=76...(23) Violated in 1 structures by 0.04 A. Peak 9105 from cnoeabs.peaks (8.03, 0.56, 24.08 ppm; 5.22 A): 3 out of 6 assignments used, quality = 1.00: H SER 130 + QD2 LEU 42 OK 97 97 100 100 3.0-6.6 4.2/10486=81...(16) H TYR 76 + QD2 LEU 42 OK 82 87 95 100 4.3-6.9 9609/2.1=73, 3.8/9096=68...(14) H ILE 129 + QD2 LEU 42 OK 52 76 70 98 4.8-8.5 4.0/10486=84...(8) H CYS 79 - QD2 LEU 42 poor 19 87 35 64 5.9-8.5 9699/9080=21...(8) H LEU 48 - QD2 LEU 42 far 4 83 5 - 6.7-10.1 H CYS 125 - QD2 LEU 42 far 0 87 0 - 8.9-12.7 Violated in 1 structures by 0.01 A. Peak 9106 from cnoeabs.peaks (8.50, 0.56, 24.08 ppm; 5.29 A): 0 out of 1 assignment used, quality = 0.00: H GLU 97 - QD2 LEU 42 far 0 100 0 - 8.9-12.6 Violated in 20 structures by 5.28 A. Peak 9107 from cnoeabs.peaks (7.33, 0.56, 24.08 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.60: HZ PHE 89 + QD2 LEU 42 OK 60 60 100 100 1.9-5.4 9110/2.1=94...(20) H ARG 135 - QD2 LEU 42 far 4 78 5 - 6.6-8.3 HE ARG 90 - QD2 LEU 42 far 0 90 0 - 7.9-13.0 Violated in 1 structures by 0.02 A. Peak 9108 from cnoeabs.peaks (7.13, 0.56, 24.08 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.91: QD TYR 72 + QD2 LEU 42 OK 89 89 100 100 2.3-5.5 9111/2.1=92...(38) HE22 GLN 134 + QD2 LEU 42 OK 25 100 25 98 6.0-10.6 10630/9129=77...(8) Violated in 1 structures by 0.00 A. Peak 9109 from cnoeabs.peaks (6.49, 0.56, 24.08 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + QD2 LEU 42 OK 92 92 100 100 1.9-4.7 2.6/9096=74, ~9635=50...(29) QE TYR 76 + QD2 LEU 42 OK 92 92 100 100 2.1-5.0 9634/2.1=60...(28) Violated in 0 structures by 0.00 A. Peak 9110 from cnoeabs.peaks (7.31, 0.63, 27.44 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.99: HZ PHE 89 + QD1 LEU 42 OK 99 99 100 100 1.9-5.0 2.2/11890=72...(19) H ARG 135 - QD1 LEU 42 far 0 100 0 - 7.3-10.0 Violated in 2 structures by 0.04 A. Peak 9111 from cnoeabs.peaks (7.13, 0.63, 27.44 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.89: QD TYR 72 + QD1 LEU 42 OK 89 89 100 100 1.9-4.8 9108/2.1=93, 2.7/9091=90...(38) HE22 GLN 134 - QD1 LEU 42 far 5 100 5 - 5.4-12.3 HD2 HIS 67 - QD1 LEU 42 far 0 81 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 9112 from cnoeabs.peaks (6.48, 0.63, 27.44 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 76 + QD1 LEU 42 OK 95 96 100 99 2.3-5.5 9634=45, 9631/11676=42...(27) QD TYR 76 + QD1 LEU 42 OK 87 87 100 100 1.9-4.6 2.6/9635=54, 2.6/9617=53...(19) Violated in 2 structures by 0.02 A. Peak 9113 from cnoeabs.peaks (7.14, 3.48, 59.85 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.98: QD TYR 72 + HA LEU 42 OK 98 98 100 100 2.3-4.0 11119=95, 9022/10826=63...(18) HE22 GLN 134 - HA LEU 42 far 0 99 0 - 8.9-15.4 Violated in 0 structures by 0.00 A. Peak 9116 from cnoeabs.peaks (7.47, 0.75, 22.33 ppm; 4.53 A): 2 out of 3 assignments used, quality = 0.99: H GLN 134 + QD2 LEU 43 OK 92 92 100 100 2.1-4.3 10593=80, 4.3/11777=66...(27) H LEU 42 + QD2 LEU 43 OK 85 92 95 98 3.7-6.3 3.9/6510=59, 4.8/9129=55...(12) HE22 GLN 127 - QD2 LEU 43 far 5 99 5 - 5.7-11.2 Violated in 0 structures by 0.00 A. Peak 9117 from cnoeabs.peaks (7.12, 0.75, 22.33 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.61: HE22 GLN 134 + QD2 LEU 43 OK 61 95 65 100 2.5-8.5 10630=88, 1.7/9118=71...(14) QD TYR 72 - QD2 LEU 43 far 6 60 10 - 5.3-8.3 Violated in 12 structures by 1.09 A. Peak 9118 from cnoeabs.peaks (6.89, 0.75, 22.33 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.80: HE21 GLN 134 + QD2 LEU 43 OK 80 100 80 100 2.8-7.8 1.7/10630=88...(10) HE21 GLN 68 - QD2 LEU 43 far 0 60 0 - 9.8-13.7 Violated in 14 structures by 0.83 A. Peak 9120 from cnoeabs.peaks (2.94, 0.70, 25.73 ppm; 4.31 A): 2 out of 12 assignments used, quality = 1.00: HE2 LYS 39 + QD1 LEU 43 OK 99 99 100 100 1.9-5.0 4.0/11901=61...(28) HE3 LYS 39 + QD1 LEU 43 OK 86 97 90 99 2.3-6.4 4.0/11901=61...(26) HD2 ARG 135 - QD1 LEU 43 far 0 100 0 - 6.4-10.1 HB2 CYS 45 - QD1 LEU 43 far 0 100 0 - 7.4-9.1 HE3 LYS 36 - QD1 LEU 43 far 0 76 0 - 7.8-15.6 HE2 LYS 36 - QD1 LEU 43 far 0 85 0 - 8.3-14.8 HE2 LYS 31 - QD1 LEU 43 far 0 68 0 - 8.5-20.4 HE3 LYS 24 - QD1 LEU 43 far 0 76 0 - 8.6-28.0 HG CYS 73 - QD1 LEU 43 far 0 100 0 - 8.7-12.0 HE2 LYS 24 - QD1 LEU 43 far 0 89 0 - 9.4-27.6 HE3 LYS 26 - QD1 LEU 43 far 0 60 0 - 9.6-27.2 HE3 LYS 31 - QD1 LEU 43 far 0 60 0 - 9.8-20.9 Violated in 1 structures by 0.02 A. Peak 9121 from cnoeabs.peaks (2.64, 0.70, 25.73 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.95: HG2 GLN 134 + QD1 LEU 43 OK 95 95 100 100 2.4-5.4 10596=91, 9124/2.1=91...(25) HB3 CYS 79 - QD1 LEU 43 far 0 71 0 - 8.2-13.8 Violated in 4 structures by 0.07 A. Peak 9123 from cnoeabs.peaks (2.94, 0.75, 22.33 ppm; 5.06 A): 3 out of 9 assignments used, quality = 1.00: HE2 LYS 39 + QD2 LEU 43 OK 100 100 100 100 3.1-6.4 9120/2.1=54...(29) HE3 LYS 39 + QD2 LEU 43 OK 84 99 85 100 3.1-7.6 ~9120=44, 9120/2.1=43...(28) HB2 CYS 45 + QD2 LEU 43 OK 37 99 40 95 6.3-8.3 4.5/9176=75...(8) HG CYS 73 - QD2 LEU 43 far 15 100 15 - 6.2-9.7 HD2 ARG 135 - QD2 LEU 43 far 5 100 5 - 6.2-9.3 HE3 LYS 36 - QD2 LEU 43 far 3 65 5 - 6.5-14.3 HE2 LYS 36 - QD2 LEU 43 far 0 76 0 - 7.6-13.7 HE2 LYS 31 - QD2 LEU 43 far 0 57 0 - 9.2-18.9 HE3 LYS 86 - QD2 LEU 43 far 0 71 0 - 9.7-15.7 Violated in 4 structures by 0.05 A. Peak 9124 from cnoeabs.peaks (2.64, 0.75, 22.33 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.93: HG2 GLN 134 + QD2 LEU 43 OK 93 98 95 100 2.5-5.6 10596=82, 9121/2.1=65...(30) HB3 CYS 79 - QD2 LEU 43 far 0 60 0 - 7.7-13.6 Violated in 3 structures by 0.16 A. Peak 9125 from cnoeabs.peaks (2.06, 0.70, 25.73 ppm; 4.22 A): 4 out of 9 assignments used, quality = 0.99: HG3 GLN 134 + QD1 LEU 43 OK 84 89 95 100 1.9-5.8 1.8/9121=76, 10600=68...(24) HB3 LYS 39 + QD1 LEU 43 OK 79 93 85 100 4.0-6.3 2.9/11901=74...(35) HB3 GLU 40 + QD1 LEU 43 OK 57 60 95 99 3.4-5.9 3.0/11896=61, ~11897=42...(25) HG3 PRO 81 + QD1 LEU 43 OK 22 95 35 67 4.9-11.8 9127/2.1=20...(12) HB3 GLU 44 - QD1 LEU 43 far 9 95 10 - 5.3-7.2 HB3 GLN 27 - QD1 LEU 43 far 0 100 0 - 6.9-23.7 HB2 GLN 127 - QD1 LEU 43 far 0 99 0 - 7.3-11.8 HB3 GLN 82 - QD1 LEU 43 far 0 65 0 - 8.6-15.8 HB2 GLU 128 - QD1 LEU 43 far 0 90 0 - 9.9-12.2 Violated in 2 structures by 0.03 A. Peak 9126 from cnoeabs.peaks (2.33, 0.70, 25.73 ppm; 5.82 A): 3 out of 6 assignments used, quality = 1.00: HB3 GLN 134 + QD1 LEU 43 OK 99 99 100 100 1.8-3.6 11853=98, 11074/2.1=97...(28) HG2 GLU 40 + QD1 LEU 43 OK 78 78 100 99 3.1-7.3 3.9/11896=84, ~10929=72...(12) HG2 GLU 44 + QD1 LEU 43 OK 60 100 60 100 5.4-7.9 6528/6523=76...(6) HG2 GLN 27 - QD1 LEU 43 far 5 90 5 - 6.3-23.2 HG3 GLN 27 - QD1 LEU 43 far 4 78 5 - 5.9-22.7 HG2 GLN 127 - QD1 LEU 43 far 0 87 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 9127 from cnoeabs.peaks (2.05, 0.75, 22.33 ppm; 3.96 A): 4 out of 10 assignments used, quality = 0.91: HG3 GLN 134 + QD2 LEU 43 OK 57 60 95 100 1.8-5.7 1.8/9124=74...(32) HG3 PRO 81 + QD2 LEU 43 OK 49 100 70 70 4.6-11.8 10575/11776=20...(14) HB3 LYS 39 + QD2 LEU 43 OK 40 68 60 98 3.2-7.2 ~11901=38, 3.0/9122=33...(36) HB3 GLU 40 + QD2 LEU 43 OK 31 89 35 99 5.2-7.7 3.0/11897=64, ~9055=34...(26) HB2 GLN 127 - QD2 LEU 43 far 15 100 15 - 5.0-10.2 HG3 ARG 135 - QD2 LEU 43 far 8 83 10 - 5.3-8.5 HB2 GLU 44 - QD2 LEU 43 far 0 60 0 - 5.7-7.5 HB3 GLU 44 - QD2 LEU 43 far 0 71 0 - 6.4-7.6 HB3 GLN 27 - QD2 LEU 43 far 0 99 0 - 6.7-22.0 HB2 GLU 128 - QD2 LEU 43 far 0 63 0 - 7.6-10.4 Violated in 3 structures by 0.04 A. Peak 9128 from cnoeabs.peaks (2.19, 0.75, 22.33 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.85: HB VAL 133 + QD2 LEU 43 OK 85 100 85 100 1.9-6.5 2.1/11777=85...(27) HB3 LEU 69 - QD2 LEU 43 far 0 78 0 - 7.0-9.6 HB2 GLN 82 - QD2 LEU 43 far 0 92 0 - 8.0-15.0 Violated in 4 structures by 0.39 A. Peak 9129 from cnoeabs.peaks (0.54, 0.75, 22.33 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.92: QD2 LEU 42 + QD2 LEU 43 OK 92 92 100 100 1.7-4.6 9085/2.1=59...(38) Violated in 3 structures by 0.11 A. Peak 9140 from cnoeabs.peaks (1.72, 2.51, 34.64 ppm; 4.66 A): 1 out of 12 assignments used, quality = 0.41: HB2 LEU 43 + HG3 GLU 44 OK 41 99 45 91 3.8-7.9 6520/1424=66...(8) HG LEU 98 - HG3 GLU 102 far 7 73 10 - 5.5-9.3 HB2 LYS 26 - HG3 GLU 44 far 3 60 5 - 6.1-29.4 HG LEU 48 - HG3 GLU 44 lone 3 99 25 10 5.3-10.1 10947/1.8=6, 2.1/11523=4 HB2 LYS 26 - HG3 GLU 102 far 0 41 0 - 6.4-29.3 HB2 LYS 31 - HG3 GLU 44 far 0 78 0 - 7.5-23.7 HB2 LYS 24 - HG3 GLU 44 far 0 68 0 - 7.9-31.5 HB2 LYS 19 - HG3 GLU 44 far 0 60 0 - 8.7-37.2 HD3 LYS 39 - HG3 GLU 44 far 0 99 0 - 8.9-12.9 HB3 LEU 70 - HG3 GLU 102 far 0 78 0 - 9.4-12.7 HB2 LEU 70 - HG3 GLU 102 far 0 75 0 - 9.8-13.4 HB2 LYS 24 - HG3 GLU 102 far 0 48 0 - 9.8-34.3 Violated in 18 structures by 1.68 A. Peak 9141 from cnoeabs.peaks (1.19, 2.51, 34.64 ppm; 5.28 A): 1 out of 5 assignments used, quality = 0.83: QB ALA 41 + HG3 GLU 44 OK 83 83 100 100 3.2-5.8 2.1/9064=71, ~1409=64...(20) HG12 ILE 32 - HG3 GLU 44 poor 19 63 30 - 3.4-19.7 QG2 THR 25 - HG3 GLU 44 lone 0 100 25 1 3.6-26.2 QG2 THR 18 - HG3 GLU 44 far 0 85 0 - 6.9-33.4 QG2 THR 25 - HG3 GLU 102 far 0 80 0 - 9.5-26.2 Violated in 6 structures by 0.07 A. Peak 9143 from cnoeabs.peaks (7.14, 2.94, 26.22 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.99: QD TYR 72 + HB2 CYS 45 OK 99 99 100 100 2.7-5.0 9145/1.8=100...(24) HE22 GLN 134 - HB2 CYS 45 far 0 97 0 - 9.9-17.3 Violated in 0 structures by 0.00 A. Peak 9144 from cnoeabs.peaks (6.82, 2.94, 26.22 ppm; 5.26 A): 1 out of 2 assignments used, quality = 0.93: QE TYR 72 + HB2 CYS 45 OK 93 93 100 100 2.3-4.9 2.2/9143=85, 9146/1.8=81...(17) HE21 GLN 127 - HB2 CYS 45 far 15 100 15 - 6.2-13.9 Violated in 0 structures by 0.00 A. Peak 9145 from cnoeabs.peaks (7.13, 3.13, 26.22 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.89: QD TYR 72 + HB3 CYS 45 OK 89 89 100 100 2.5-6.0 2.2/9146=89, 9143/1.8=69...(24) HD2 HIS 67 - HB3 CYS 45 far 0 81 0 - 9.6-13.3 Violated in 1 structures by 0.02 A. Peak 9146 from cnoeabs.peaks (6.81, 3.13, 26.22 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + HB3 CYS 45 OK 100 100 100 100 2.2-5.2 9547=90, 9144/1.8=81...(21) HE21 GLN 127 - HB3 CYS 45 far 5 97 5 - 5.9-14.0 Violated in 1 structures by 0.02 A. Peak 9148 from cnoeabs.peaks (8.31, 4.12, 62.50 ppm; 4.76 A): 3 out of 8 assignments used, quality = 0.99: H LEU 49 + HA CYS 45 OK 94 95 100 100 3.8-5.4 6589/1436=54...(15) H GLU 44 + HA CYS 45 OK 73 89 100 83 5.1-5.5 6531/3.6=61, 3.9/9153=28...(6) H LEU 69 + HA CYS 45 OK 29 89 35 94 5.5-8.4 3.7/9153=64...(13) H ALA 28 - HA CYS 45 far 14 97 15 - 4.5-20.2 H LEU 43 - HA CYS 45 far 0 63 0 - 6.7-7.4 H GLY 17 - HA CYS 45 far 0 100 0 - 7.8-30.6 H ALA 21 - HA CYS 45 far 0 99 0 - 8.0-28.4 H TYR 72 - HA CYS 45 far 0 99 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 9153 from cnoeabs.peaks (2.18, 4.12, 62.50 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.58: HB3 LEU 69 + HA CYS 45 OK 58 89 65 100 4.1-7.3 9149/2.8=58...(30) HB3 GLN 68 - HA CYS 45 far 10 100 10 - 5.6-9.0 Violated in 15 structures by 1.05 A. Peak 9155 from cnoeabs.peaks (1.22, 4.12, 62.50 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.99: QG2 THR 65 + HA CYS 45 OK 99 99 100 100 3.8-6.4 9443/9153=80...(17) Violated in 9 structures by 0.22 A. Peak 9156 from cnoeabs.peaks (2.17, 2.94, 26.22 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 69 + HB2 CYS 45 OK 100 100 100 100 2.2-6.4 3.2/11062=85...(23) HB3 GLN 68 + HB2 CYS 45 OK 52 96 80 68 4.5-7.6 9158/1.8=27...(7) HB VAL 133 - HB2 CYS 45 far 0 73 0 - 8.9-13.3 Violated in 3 structures by 0.05 A. Peak 9158 from cnoeabs.peaks (2.17, 3.13, 26.22 ppm; 4.64 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 69 + HB3 CYS 45 OK 100 100 100 100 1.9-5.9 3.2/11061=60...(24) HB3 GLN 68 + HB3 CYS 45 OK 43 97 80 56 3.9-6.7 9156/1.8=23...(6) HB VAL 133 - HB3 CYS 45 far 0 78 0 - 9.3-13.2 Violated in 3 structures by 0.04 A. Peak 9159 from cnoeabs.peaks (0.99, 3.13, 26.22 ppm; 5.65 A): 2 out of 3 assignments used, quality = 0.93: QD1 LEU 69 + HB3 CYS 45 OK 87 87 100 100 2.0-5.7 9160/1.8=98...(26) QG2 VAL 126 + HB3 CYS 45 OK 48 65 85 86 5.1-7.6 9527/9145=61...(7) QD2 LEU 53 - HB3 CYS 45 far 0 73 0 - 8.2-13.8 Violated in 0 structures by 0.00 A. Peak 9160 from cnoeabs.peaks (0.99, 2.94, 26.22 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.93: QD1 LEU 69 + HB2 CYS 45 OK 93 93 100 100 1.8-6.3 11062=89, 11061/1.8=84...(22) QD2 LEU 53 - HB2 CYS 45 far 0 63 0 - 8.8-13.4 Violated in 8 structures by 0.33 A. Peak 9164 from cnoeabs.peaks (0.92, 4.12, 62.50 ppm; 4.04 A): 2 out of 9 assignments used, quality = 1.00: QD1 LEU 48 + HA CYS 45 OK 99 100 100 99 1.8-4.3 3.1/1438=54...(20) QD2 LEU 48 + HA CYS 45 OK 95 96 100 99 1.7-5.4 3.1/1438=54...(21) QG2 ILE 37 - HA CYS 45 far 14 92 15 - 4.6-10.9 QD1 LEU 49 - HA CYS 45 far 0 99 0 - 5.7-7.1 QG2 VAL 20 - HA CYS 45 far 0 60 0 - 6.1-23.8 QG1 VAL 20 - HA CYS 45 far 0 95 0 - 6.1-23.0 QD1 LEU 123 - HA CYS 45 far 0 99 0 - 7.6-11.4 QD1 LEU 22 - HA CYS 45 far 0 68 0 - 9.3-26.5 QG1 VAL 57 - HA CYS 45 far 0 63 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 9173 from cnoeabs.peaks (0.96, 3.90, 55.49 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 126 + HA ALA 46 OK 99 100 100 99 2.7-4.9 11616/2.1=66, ~10409=48...(26) QG1 VAL 126 + HA ALA 46 OK 85 100 85 100 2.4-6.5 10409/2.1=86, ~11616=40...(25) QG2 ILE 37 - HA ALA 46 far 0 73 0 - 5.6-11.7 QD2 LEU 53 - HA ALA 46 far 0 99 0 - 6.0-9.9 QG1 VAL 57 - HA ALA 46 far 0 97 0 - 9.5-12.5 Violated in 6 structures by 0.08 A. Peak 9174 from cnoeabs.peaks (0.86, 3.90, 55.49 ppm; 4.01 A): 1 out of 7 assignments used, quality = 1.00: QD2 LEU 69 + HA ALA 46 OK 100 100 100 100 1.7-4.0 11060/2.1=70, 11054=60...(28) QD2 LEU 70 - HA ALA 46 far 15 99 15 - 5.0-11.1 QD2 LEU 123 - HA ALA 46 poor 15 83 80 22 4.3-8.4 11422/10951=11...(7) QG1 VAL 133 - HA ALA 46 far 0 63 0 - 6.4-9.2 QG2 ILE 32 - HA ALA 46 far 0 97 0 - 7.2-11.1 QG2 VAL 20 - HA ALA 46 far 0 65 0 - 7.6-24.7 QG2 VAL 57 - HA ALA 46 far 0 100 0 - 9.3-10.9 Violated in 1 structures by 0.00 A. Peak 9175 from cnoeabs.peaks (0.97, 1.34, 16.76 ppm; 2.89 A): 2 out of 4 assignments used, quality = 0.97: QG2 VAL 126 + QB ALA 46 OK 90 100 95 95 2.9-4.5 2.1/10409=59, 11616=44...(15) QG1 VAL 126 + QB ALA 46 OK 67 97 70 99 2.3-5.3 10409=91, 2.1/11616=39...(19) QD2 LEU 53 - QB ALA 46 far 0 100 0 - 5.6-9.0 QG1 VAL 57 - QB ALA 46 far 0 85 0 - 9.6-11.9 Violated in 13 structures by 0.18 A. Peak 9176 from cnoeabs.peaks (0.78, 1.34, 16.76 ppm; 3.53 A): 2 out of 10 assignments used, quality = 0.96: QD2 LEU 49 + QB ALA 46 OK 85 89 100 96 2.8-3.4 10898/2.1=46...(31) QD2 LEU 43 + QB ALA 46 OK 70 71 100 99 2.9-4.5 11071=59, 3.2/9183=44...(20) QD1 LEU 96 - QB ALA 46 far 15 99 15 - 4.4-7.7 QD1 ILE 37 - QB ALA 46 far 10 100 10 - 4.4-9.5 QD1 LEU 122 - QB ALA 46 far 0 65 0 - 5.2-8.0 QD1 ILE 32 - QB ALA 46 far 0 100 0 - 5.3-10.7 QD2 LEU 122 - QB ALA 46 far 0 99 0 - 5.3-8.9 QD1 LEU 53 - QB ALA 46 far 0 93 0 - 5.3-7.4 QD2 LEU 119 - QB ALA 46 far 0 81 0 - 8.2-13.8 QG1 VAL 63 - QB ALA 46 far 0 100 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9177 from cnoeabs.peaks (0.56, 1.34, 16.76 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 42 + QB ALA 46 OK 95 100 95 100 1.9-5.3 9129/9176=59...(21) Violated in 14 structures by 0.46 A. Peak 9178 from cnoeabs.peaks (-0.24, 1.34, 16.76 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9179 from cnoeabs.peaks (-0.51, 1.34, 16.76 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9182 from cnoeabs.peaks (1.51, 1.34, 16.76 ppm; 3.95 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 69 + QB ALA 46 OK 100 100 100 100 1.9-4.6 2.1/11063=78...(24) HG LEU 42 + QB ALA 46 OK 60 65 95 97 3.1-5.6 2.1/9177=81...(14) HB2 LEU 49 - QB ALA 46 poor 18 90 20 - 5.2-5.8 HB2 LEU 53 - QB ALA 46 far 0 99 0 - 7.7-10.3 Violated in 1 structures by 0.00 A. Peak 9183 from cnoeabs.peaks (1.69, 1.34, 16.76 ppm; 4.41 A): 1 out of 9 assignments used, quality = 0.71: HB2 LEU 69 + QB ALA 46 OK 71 71 100 100 2.6-5.3 3.2/11063=73...(22) HD2 LYS 36 - QB ALA 46 far 0 73 0 - 6.1-12.3 HB2 LEU 70 - QB ALA 46 far 0 87 0 - 6.3-9.1 HD3 LYS 36 - QB ALA 46 far 0 73 0 - 6.5-12.5 HG LEU 48 - QB ALA 46 far 0 83 0 - 6.7-7.7 HB3 LEU 70 - QB ALA 46 far 0 81 0 - 7.0-9.3 HD3 LYS 39 - QB ALA 46 far 0 83 0 - 8.8-11.2 HD2 LYS 39 - QB ALA 46 far 0 90 0 - 8.8-11.2 HG2 ARG 135 - QB ALA 46 far 0 89 0 - 9.5-11.2 Violated in 13 structures by 0.27 A. Peak 9184 from cnoeabs.peaks (1.97, 1.34, 16.76 ppm; 4.27 A): 0 out of 3 assignments used, quality = 0.00: HB3 LEU 53 - QB ALA 46 far 0 63 0 - 6.7-9.1 HB ILE 37 - QB ALA 46 far 0 100 0 - 6.9-11.3 HB2 GLN 27 - QB ALA 46 far 0 100 0 - 7.1-18.6 Violated in 20 structures by 2.82 A. Peak 9185 from cnoeabs.peaks (2.13, 1.34, 16.76 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.54: HB VAL 126 + QB ALA 46 OK 54 57 95 100 2.2-6.4 2.1/10409=100...(13) HB2 GLU 97 - QB ALA 46 far 0 100 0 - 9.5-12.4 Violated in 11 structures by 0.47 A. Peak 9186 from cnoeabs.peaks (2.91, 1.34, 16.76 ppm; 4.78 A): 1 out of 4 assignments used, quality = 0.43: HG CYS 73 + QB ALA 46 OK 43 71 85 71 3.5-7.1 10462/11711=38...(7) HE2 LYS 39 - QB ALA 46 far 0 83 0 - 7.7-10.7 HE3 LYS 39 - QB ALA 46 far 0 90 0 - 8.2-11.6 HD2 ARG 135 - QB ALA 46 far 0 65 0 - 9.8-12.1 Violated in 15 structures by 0.60 A. Peak 9187 from cnoeabs.peaks (3.42, 1.34, 16.76 ppm; 4.91 A): 1 out of 4 assignments used, quality = 0.97: HA VAL 126 + QB ALA 46 OK 97 97 100 100 3.6-5.6 3.2/10409=93...(19) HA LYS 39 - QB ALA 46 far 4 85 5 - 6.4-8.3 HA VAL 77 - QB ALA 46 far 0 71 0 - 9.2-11.4 HB3 HIS 67 - QB ALA 46 far 0 89 0 - 9.6-11.6 Violated in 10 structures by 0.19 A. Peak 9188 from cnoeabs.peaks (4.09, 1.34, 16.76 ppm; 4.72 A): 0 out of 7 assignments used, quality = 0.00: HA LEU 49 - QB ALA 46 far 0 83 0 - 6.5-6.9 HA LEU 48 - QB ALA 46 far 0 78 0 - 6.7-6.9 HB THR 65 - QB ALA 46 far 0 81 0 - 6.8-8.7 HA PHE 89 - QB ALA 46 far 0 100 0 - 7.4-9.8 HB2 SER 74 - QB ALA 46 far 0 85 0 - 8.8-12.1 HB3 SER 74 - QB ALA 46 far 0 87 0 - 9.1-11.5 HA ILE 32 - QB ALA 46 far 0 78 0 - 9.4-13.9 Violated in 20 structures by 0.92 A. Peak 9189 from cnoeabs.peaks (4.11, 3.90, 55.49 ppm; 5.58 A): 3 out of 3 assignments used, quality = 1.00: HA LEU 49 + HA ALA 46 OK 99 100 100 99 5.6-6.2 3.9/10898=78...(17) HA LEU 48 + HA ALA 46 OK 99 100 100 99 6.4-6.9 ~6560=55, 3.6/1455=48...(14) HA CYS 45 + HA ALA 46 OK 97 97 100 100 4.7-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 9190 from cnoeabs.peaks (8.28, 1.34, 16.76 ppm; 4.56 A): 4 out of 10 assignments used, quality = 1.00: H ASP 131 + QB ALA 46 OK 96 100 100 96 4.2-5.5 4.6/10508=49...(12) H LEU 43 + QB ALA 46 OK 96 96 100 100 4.0-5.1 2.8/1348=77...(21) H LEU 49 + QB ALA 46 OK 61 65 100 94 4.7-5.3 3.2/9213=39, 4.0/9191=29...(18) H VAL 126 + QB ALA 46 OK 36 92 40 99 5.2-7.3 4.0/10409=75...(12) H LEU 69 - QB ALA 46 poor 19 76 25 - 5.1-7.0 H LEU 123 - QB ALA 46 far 0 90 0 - 7.6-10.0 H ALA 29 - QB ALA 46 far 0 65 0 - 8.0-16.4 H GLU 40 - QB ALA 46 far 0 100 0 - 8.1-9.4 H LEU 96 - QB ALA 46 far 0 100 0 - 8.7-10.3 H GLU 30 - QB ALA 46 far 0 95 0 - 9.4-16.8 Violated in 0 structures by 0.00 A. Peak 9191 from cnoeabs.peaks (8.04, 1.34, 16.76 ppm; 4.28 A): 2 out of 6 assignments used, quality = 1.00: H LEU 48 + QB ALA 46 OK 99 100 100 99 4.5-4.9 6579/6568=66...(14) H SER 130 + QB ALA 46 OK 98 99 100 100 3.0-4.4 4143/11245=54...(18) H CYS 125 - QB ALA 46 far 0 100 0 - 7.2-9.0 H ALA 52 - QB ALA 46 far 0 92 0 - 7.5-8.3 H TYR 76 - QB ALA 46 far 0 100 0 - 8.0-10.2 H VAL 20 - QB ALA 46 far 0 83 0 - 9.9-27.4 Violated in 0 structures by 0.00 A. Peak 9192 from cnoeabs.peaks (7.72, 1.34, 16.76 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.57: H CYS 45 + QB ALA 46 OK 57 57 100 99 4.2-4.6 3.6/9188=65, 3.4/9132=60...(13) H LEU 53 - QB ALA 46 far 0 100 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 9195 from cnoeabs.peaks (8.48, 4.11, 57.64 ppm; 4.43 A): 3 out of 7 assignments used, quality = 0.96: H LEU 100 + HA LEU 98 OK 84 85 100 99 4.6-5.5 3.1/3155=42, 7391=40...(21) H GLU 97 + HA LEU 98 OK 63 72 100 88 5.0-5.5 10021/3.7=45...(10) H ASP 47 + HA LEU 48 OK 33 36 100 91 5.0-5.4 6579/2.9=52, ~1467=38...(10) H SER 9 - HA LEU 48 far 3 66 5 - 5.4-48.7 H ASP 47 - HA LEU 49 far 0 65 0 - 6.6-7.1 H LEU 70 - HA LEU 49 far 0 85 0 - 8.3-12.1 H SER 9 - HA LEU 49 far 0 100 0 - 9.8-46.8 Violated in 0 structures by 0.00 A. Peak 9196 from cnoeabs.peaks (8.45, 1.89, 41.65 ppm; 6.36 A): 1 out of 3 assignments used, quality = 0.98: H ASP 47 + HB3 LEU 48 OK 98 98 100 100 4.2-6.3 3.6/6585=99, 6594/4.6=72...(11) H LEU 70 - HB3 LEU 48 far 0 89 0 - 9.0-14.8 H ALA 12 - HB3 LEU 48 far 0 100 0 - 9.6-38.9 Violated in 0 structures by 0.00 A. Peak 9200 from cnoeabs.peaks (1.23, 4.11, 57.64 ppm; 4.85 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 65 + HA LEU 49 OK 100 100 100 100 2.0-4.7 11703/2.9=77...(28) QG2 THR 65 + HA LEU 48 OK 36 66 55 100 3.9-7.5 9441/3.7=69...(17) QG2 THR 54 - HA LEU 49 far 5 92 5 - 6.1-9.6 QG2 THR 54 - HA LEU 48 far 0 56 0 - 7.1-11.3 Violated in 0 structures by 0.00 A. Peak 9201 from cnoeabs.peaks (1.21, 1.89, 41.65 ppm; 6.21 A): 1 out of 3 assignments used, quality = 0.92: QG2 THR 65 + HB3 LEU 48 OK 92 92 100 100 2.5-7.2 9204/3.0=92, 9202/1.8=89...(20) QG2 THR 25 - HB3 LEU 48 far 10 65 15 - 3.5-23.2 QG2 THR 54 - HB3 LEU 48 far 0 65 0 - 8.6-12.5 Violated in 3 structures by 0.06 A. Peak 9202 from cnoeabs.peaks (1.23, 1.78, 41.65 ppm; 5.45 A): 1 out of 5 assignments used, quality = 1.00: QG2 THR 65 + HB2 LEU 48 OK 100 100 100 100 1.9-6.7 9441/3.0=90, 10991=84...(19) QG2 THR 65 - HB3 LEU 122 poor 12 60 20 - 5.2-10.5 QG2 THR 65 - HB3 LEU 103 far 0 70 0 - 7.8-11.2 QG2 THR 54 - HB2 LEU 48 far 0 92 0 - 8.7-12.8 QG2 THR 54 - HB3 LEU 122 far 0 51 0 - 9.0-15.1 Violated in 7 structures by 0.24 A. Peak 9203 from cnoeabs.peaks (1.22, 4.11, 57.99 ppm; 4.98 A): 2 out of 5 assignments used, quality = 0.86: QG2 THR 65 + HA LEU 48 OK 63 97 65 100 3.9-7.5 9441/3.7=69...(18) QG2 THR 65 + HA LEU 49 OK 61 61 100 100 2.0-4.7 11703/2.9=74...(27) QG2 THR 54 - HA LEU 49 far 4 45 10 - 6.1-9.6 QG2 THR 54 - HA LEU 48 far 0 78 0 - 7.1-11.3 QG2 THR 65 - HA GLN 104 far 0 50 0 - 7.8-13.0 Violated in 0 structures by 0.00 A. Peak 9204 from cnoeabs.peaks (1.21, 1.71, 26.79 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.65: QG2 THR 65 + HG LEU 48 OK 65 87 75 100 2.7-7.2 9441=66, 10957/2.1=65...(17) QG2 THR 25 - HG LEU 48 far 11 73 15 - 3.3-23.2 QG2 THR 25 - HG LEU 98 far 0 71 0 - 7.2-26.1 Violated in 8 structures by 0.54 A. Peak 9205 from cnoeabs.peaks (1.58, 0.91, 23.93 ppm; 3.30 A): 2 out of 17 assignments used, quality = 0.92: HG LEU 49 + QD2 LEU 48 OK 87 100 100 88 3.1-4.5 10992/10957=24...(34) HG LEU 123 + QD1 LEU 123 OK 40 40 100 100 2.1-2.1 2.1=100 HG LEU 49 - QD1 LEU 123 poor 19 42 45 - 3.8-6.5 HG LEU 49 - QD1 LEU 48 poor 19 41 45 - 2.1-5.9 HG LEU 122 - QD1 LEU 123 far 3 21 15 - 4.4-7.2 HG LEU 123 - QD2 LEU 48 far 0 98 0 - 6.2-9.8 HG LEU 123 - QD1 LEU 48 far 0 39 0 - 6.3-11.1 HG2 ARG 23 - QD1 LEU 48 far 0 42 0 - 6.5-23.4 HG13 ILE 37 - QD1 LEU 48 far 0 34 0 - 6.5-15.0 HG LEU 122 - QD1 LEU 48 far 0 21 0 - 7.1-13.9 HG2 ARG 23 - QD2 LEU 48 far 0 100 0 - 7.2-23.0 HG LEU 122 - QD2 LEU 48 far 0 63 0 - 7.6-12.5 HG13 ILE 37 - QD2 LEU 48 far 0 92 0 - 8.0-15.6 HG LEU 103 - QD1 LEU 123 far 0 30 0 - 8.2-12.1 HB2 LEU 103 - QD1 LEU 123 far 0 43 0 - 9.1-12.1 HG LEU 103 - QD1 LEU 48 far 0 29 0 - 9.8-18.7 HG LEU 103 - QD2 LEU 48 far 0 83 0 - 9.8-17.1 Violated in 0 structures by 0.00 A. Peak 9206 from cnoeabs.peaks (3.87, 0.80, 26.96 ppm; 4.26 A): 5 out of 7 assignments used, quality = 0.98: HA LEU 123 + QD2 LEU 49 OK 75 83 95 96 2.3-6.0 9209/2.1=32...(29) HA ALA 46 + QD2 LEU 49 OK 60 63 100 95 1.7-2.4 2.1/9176=40, 10951=30...(24) HB3 SER 50 + QD2 LEU 49 OK 55 81 70 98 4.9-6.3 9209/2.1=36, 3.0/9218=31...(33) HB2 SER 50 + QD2 LEU 49 OK 42 57 75 98 4.9-6.2 3.0/9218=31, 3.9/6621=29...(33) HA LEU 62 + QD2 LEU 49 OK 32 78 70 59 4.6-7.2 10993/9431=22...(8) HA LEU 70 - QD2 LEU 49 poor 18 93 35 55 5.1-7.5 2.9/11700=28...(11) HA2 GLY 2 - QD2 LEU 49 far 0 68 0 - 8.7-55.2 Violated in 0 structures by 0.00 A. Peak 9208 from cnoeabs.peaks (3.63, 0.80, 26.96 ppm; 3.96 A): 2 out of 3 assignments used, quality = 0.99: HA2 GLY 66 + QD2 LEU 49 OK 92 100 100 92 1.8-4.7 9210/2.1=24, 2.9/9434=21...(25) HA3 GLY 66 + QD2 LEU 49 OK 86 100 95 91 2.8-5.6 2.9/9434=21, 9210/2.1=21...(24) HD2 PRO 58 - QD2 LEU 49 far 0 96 0 - 9.6-12.3 Violated in 1 structures by 0.02 A. Peak 9209 from cnoeabs.peaks (3.87, 0.91, 23.35 ppm; 4.08 A): 7 out of 25 assignments used, quality = 1.00: HB3 SER 50 + QD1 LEU 49 OK 76 81 100 94 2.5-4.0 ~9218=17, ~11699=17...(30) HA LEU 123 + QD1 LEU 49 OK 74 83 100 90 1.8-4.7 3.0/3934=27, 3.9/3950=23...(18) HB2 SER 50 + QD1 LEU 49 OK 56 57 100 97 2.2-3.7 1.8/11339=32, ~9218=17...(36) HA ALA 46 + QD1 LEU 49 OK 52 63 100 83 1.9-4.2 10898/2.1=32, ~9176=28...(18) HA LEU 123 + QD1 LEU 123 OK 38 38 100 100 2.6-3.8 4.0=100 HA LEU 62 + QG2 VAL 63 OK 37 39 100 95 4.9-5.5 2.9/6796=31, 3.6/6814=30...(21) HB3 SER 50 + QD1 LEU 123 OK 26 36 75 94 3.8-6.3 3.0/11874=27, ~11636=24...(31) HB2 SER 50 - QD1 LEU 123 poor 20 24 90 92 2.3-5.9 3.0/11874=27, ~11636=24...(26) HA LEU 62 - QD1 LEU 123 poor 11 35 30 - 3.9-10.3 HA LEU 62 - QD1 LEU 49 far 8 78 10 - 4.8-7.3 HA ALA 46 - QD1 LEU 123 poor 7 27 25 - 4.4-8.5 HA2 GLY 114 - QG2 VAL 63 far 2 49 5 - 5.5-12.5 HA2 GLY 2 - QD1 LEU 123 far 1 29 5 - 4.5-59.8 HA3 GLY 2 - QD1 LEU 123 far 1 29 5 - 5.5-60.0 HA2 GLY 2 - QD1 LEU 49 far 0 68 0 - 6.2-57.4 HA LEU 70 - QD1 LEU 49 far 0 93 0 - 6.5-9.1 HA LEU 123 - QG2 VAL 63 far 0 42 0 - 6.9-10.6 HD2 PRO 117 - QG2 VAL 63 far 0 56 0 - 7.4-14.0 HA2 GLY 114 - QD1 LEU 123 far 0 44 0 - 7.5-15.4 HA3 GLY 2 - QD1 LEU 49 far 0 68 0 - 7.6-57.7 HA LEU 70 - QD1 LEU 123 far 0 45 0 - 8.9-10.9 HA LEU 70 - QG2 VAL 63 far 0 50 0 - 9.5-10.5 HA2 GLY 114 - QD1 LEU 49 far 0 92 0 - 9.6-16.2 HA ALA 46 - QG2 VAL 63 far 0 30 0 - 9.8-12.2 HD2 PRO 117 - QD1 LEU 123 far 0 50 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 9210 from cnoeabs.peaks (3.65, 0.91, 23.35 ppm; 4.45 A): 3 out of 8 assignments used, quality = 0.93: HA2 GLY 66 + QD1 LEU 49 OK 68 81 95 88 3.5-6.8 9208/2.1=41, ~9208=30...(16) HA3 GLY 66 + QD1 LEU 49 OK 64 90 80 88 4.4-6.9 9208/2.1=39, ~9208=32...(15) HA3 GLY 66 + QG2 VAL 63 OK 41 47 95 92 4.8-6.0 ~2019=27, ~2019=20...(18) HA3 GLY 66 - QD1 LEU 123 far 6 43 15 - 5.4-9.1 HA2 GLY 66 - QD1 LEU 123 far 5 36 15 - 5.5-8.6 HA2 GLY 66 - QG2 VAL 63 far 2 40 5 - 4.5-7.1 HD3 PRO 56 - QD1 LEU 123 far 0 53 0 - 7.6-11.7 HD2 PRO 56 - QD1 LEU 123 far 0 50 0 - 7.9-11.9 Violated in 2 structures by 0.04 A. Peak 9211 from cnoeabs.peaks (2.44, 0.91, 23.35 ppm; 4.68 A): 0 out of 13 assignments used, quality = 0.00: HG3 GLN 61 - QG2 VAL 63 far 5 33 15 - 5.8-7.9 HG3 GLN 61 - QD1 LEU 123 far 4 29 15 - 5.6-12.9 HG2 GLU 55 - QD1 LEU 123 far 4 28 15 - 5.5-9.4 HG3 GLU 128 - QD1 LEU 123 far 2 40 5 - 6.1-11.2 HG3 GLN 61 - QD1 LEU 49 far 0 68 0 - 6.7-10.7 HG2 GLU 55 - QD1 LEU 49 far 0 65 0 - 6.9-10.7 HB3 PRO 58 - QG2 VAL 63 far 0 30 0 - 6.9-8.6 HG3 GLU 128 - QD1 LEU 49 far 0 87 0 - 7.8-10.0 HG2 GLN 101 - QG2 VAL 63 far 0 47 0 - 7.8-9.6 HG3 GLU 97 - QG2 VAL 63 far 0 43 0 - 8.2-11.6 HG3 GLU 97 - QD1 LEU 49 far 0 85 0 - 8.8-12.7 HB3 PRO 58 - QD1 LEU 123 far 0 27 0 - 9.4-16.1 HG2 MET 11 - QG2 VAL 63 far 0 31 0 - 9.9-40.1 Violated in 19 structures by 0.56 A. Peak 9218 from cnoeabs.peaks (0.79, 4.00, 62.52 ppm; 4.04 A): 2 out of 27 assignments used, quality = 1.00: QD2 LEU 49 + HA SER 50 OK 99 100 100 99 4.6-5.4 6621/2.9=33, 1541/4.8=27...(36) QD1 LEU 53 + HA SER 50 OK 97 100 100 97 1.9-4.6 3.1/1644=39, 3.1/1653=34...(25) QD1 LEU 53 - HB2 SER 124 poor 12 100 35 35 2.5-9.1 11585/7769=12...(10) QD1 LEU 122 - HA SER 50 far 10 96 10 - 5.2-8.9 QD2 LEU 122 - HA SER 50 far 5 99 5 - 5.4-9.6 QD2 LEU 119 - HA SER 50 far 0 99 0 - 5.6-13.7 QD2 LEU 122 - HB2 SER 124 far 0 98 0 - 5.9-8.2 QD1 LEU 122 - HB2 SER 124 far 0 95 0 - 6.0-8.3 QD1 LEU 53 - HB3 SER 51 far 0 71 0 - 6.0-8.2 QD1 ILE 32 - HA VAL 20 far 0 78 0 - 6.5-17.3 QD1 LEU 96 - HB2 SER 124 far 0 75 0 - 7.0-10.3 QD2 LEU 49 - HB3 SER 51 far 0 71 0 - 7.6-8.1 QD2 LEU 49 - HB2 SER 124 far 0 100 0 - 7.6-10.8 QD1 LEU 70 - HB2 SER 124 far 0 73 0 - 7.8-13.0 QD1 LEU 70 - HA SER 50 far 0 73 0 - 8.1-13.1 QD2 LEU 119 - HB3 SER 51 far 0 70 0 - 8.3-17.9 QD2 LEU 119 - HB2 SER 124 far 0 99 0 - 8.3-10.9 QD1 LEU 96 - HA SER 50 far 0 76 0 - 8.6-11.5 QD1 ILE 32 - HA SER 50 far 0 87 0 - 8.7-16.3 QD2 LEU 49 - HA VAL 20 far 0 94 0 - 9.0-23.3 QD1 ILE 37 - HA VAL 20 far 0 82 0 - 9.1-24.3 QG2 ILE 129 - HA SER 50 far 0 65 0 - 9.1-11.7 QG2 ILE 129 - HB2 SER 124 far 0 65 0 - 9.1-10.7 QD1 ILE 32 - HB3 SER 51 far 0 56 0 - 9.2-17.8 QD1 LEU 122 - HB3 SER 51 far 0 64 0 - 9.4-12.3 QD1 ILE 37 - HA SER 50 far 0 90 0 - 9.6-17.0 QD2 LEU 122 - HB3 SER 51 far 0 68 0 - 9.9-13.4 Violated in 3 structures by 0.03 A. Peak 9219 from cnoeabs.peaks (7.71, 3.94, 62.66 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.92: H LEU 53 + HB2 SER 51 OK 92 100 95 97 4.9-6.0 3.3/1620=67...(9) Violated in 20 structures by 0.85 A. Peak 9229 from cnoeabs.peaks (0.94, 4.13, 54.53 ppm; 4.54 A): 3 out of 10 assignments used, quality = 1.00: QG1 VAL 57 + HA ALA 52 OK 100 100 100 100 3.6-4.5 9307=99, 9312/2.1=96...(19) QD2 LEU 53 + HA ALA 52 OK 45 76 60 98 3.9-6.5 6668/3.6=52, ~10963=41...(10) QD1 LEU 123 + HA ALA 52 OK 31 90 45 76 4.8-8.9 10347/9230=42...(12) QD1 LEU 119 - HA ALA 52 far 10 100 10 - 5.9-14.8 QD1 LEU 62 - HA ALA 52 far 6 57 10 - 5.0-10.1 QD1 LEU 48 - HA ALA 52 far 0 83 0 - 6.4-8.3 QG1 VAL 126 - HA ALA 52 far 0 95 0 - 8.8-11.6 QG2 VAL 126 - HA ALA 52 far 0 83 0 - 8.9-11.9 QG2 VAL 112 - HA ALA 52 far 0 83 0 - 9.3-18.2 QG1 VAL 112 - HA ALA 52 far 0 73 0 - 9.6-16.0 Violated in 0 structures by 0.00 A. Peak 9230 from cnoeabs.peaks (0.66, 4.13, 54.53 ppm; 5.97 A): 1 out of 2 assignments used, quality = 0.72: QD2 LEU 62 + HA ALA 52 OK 72 96 75 100 4.5-7.8 9232/2.1=100...(12) QD2 LEU 100 - HA ALA 52 far 0 92 0 - 7.9-15.5 Violated in 17 structures by 0.97 A. Peak 9231 from cnoeabs.peaks (0.90, 1.48, 18.03 ppm; 3.61 A): 6 out of 12 assignments used, quality = 0.97: QD1 LEU 49 + QB ALA 52 OK 78 99 90 88 3.9-5.2 4.7/9247=28, 3.2/9240=25...(17) QD2 LEU 48 + QB ALA 52 OK 42 100 55 76 2.3-6.3 1527/9247=22...(19) QD1 LEU 48 + QB ALA 52 OK 35 85 60 68 3.9-6.1 1535/9247=14...(20) QD1 LEU 62 + QB ALA 52 OK 33 98 35 97 2.7-7.4 2.1/9232=81, ~9230=29...(11) QD2 LEU 123 + QB ALA 52 OK 26 83 55 57 3.3-5.9 10348/9232=19...(17) QD1 LEU 123 + QB ALA 52 OK 22 76 45 65 2.7-7.5 10347/9232=32...(19) QG1 VAL 20 - QB ALA 52 far 10 100 10 - 2.4-22.2 QG2 VAL 20 - QB ALA 52 far 9 95 10 - 2.9-20.3 QG2 VAL 63 - QB ALA 52 far 0 99 0 - 6.6-9.5 QG1 VAL 118 - QB ALA 52 far 0 100 0 - 6.6-12.8 QD1 LEU 22 - QB ALA 52 far 0 97 0 - 7.6-22.2 QG2 VAL 112 - QB ALA 52 far 0 85 0 - 7.8-14.9 Violated in 5 structures by 0.09 A. Peak 9232 from cnoeabs.peaks (0.66, 1.48, 18.03 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.62: QD2 LEU 62 + QB ALA 52 OK 62 96 65 99 2.3-5.6 10996=69, 9319/9317=55...(19) QD2 LEU 100 - QB ALA 52 far 0 92 0 - 5.3-11.6 QD1 ILE 129 - QB ALA 52 far 0 76 0 - 10.0-11.9 Violated in 15 structures by 0.96 A. Peak 9238 from cnoeabs.peaks (2.00, 4.13, 54.53 ppm; 4.36 A): 2 out of 7 assignments used, quality = 0.99: HB3 LEU 53 + HA ALA 52 OK 94 99 100 95 5.3-5.8 6665/3.6=58, 4.6/6674=37...(11) HB2 GLU 55 + HA ALA 52 OK 88 97 90 100 2.0-6.7 11905=80, 1.8/11904=70...(15) HB VAL 20 - HA ALA 52 far 15 100 15 - 4.6-32.5 HG2 PRO 56 - HA ALA 52 far 0 99 0 - 7.2-9.2 HB3 PRO 56 - HA ALA 52 far 0 100 0 - 7.9-10.0 HG3 PRO 56 - HA ALA 52 far 0 99 0 - 8.0-10.4 HG2 PRO 58 - HA ALA 52 far 0 68 0 - 8.8-11.7 Violated in 8 structures by 0.20 A. Peak 9239 from cnoeabs.peaks (2.41, 4.13, 54.53 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.94: HG3 GLU 55 + HA ALA 52 OK 94 96 100 99 2.1-5.9 3.0/11905=70...(11) HG3 GLN 61 - HA ALA 52 far 10 100 10 - 5.3-10.4 Violated in 7 structures by 0.16 A. Peak 9240 from cnoeabs.peaks (1.94, 1.48, 18.03 ppm; 4.45 A): 2 out of 6 assignments used, quality = 0.99: HG LEU 53 + QB ALA 52 OK 96 99 100 97 3.6-5.4 1662/6662=50, ~10963=39...(15) HB3 LEU 49 + QB ALA 52 OK 67 68 100 98 3.6-4.7 3.9/9247=51, 3.0/1631=35...(24) HB2 GLN 27 - QB ALA 52 far 8 76 10 - 2.3-22.3 HB2 GLU 30 - QB ALA 52 far 0 93 0 - 6.7-20.9 HG2 PRO 113 - QB ALA 52 far 0 97 0 - 7.3-16.4 HB2 PRO 58 - QB ALA 52 far 0 99 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 9241 from cnoeabs.peaks (2.06, 1.48, 18.03 ppm; 4.61 A): 3 out of 10 assignments used, quality = 0.98: HB2 LEU 62 + QB ALA 52 OK 84 100 85 99 4.4-6.5 3.1/9232=88, ~9230=39...(12) HB3 GLU 55 + QB ALA 52 OK 73 87 85 99 2.7-6.7 11904/2.1=58, ~11905=54...(10) HB VAL 57 + QB ALA 52 OK 57 57 100 100 3.6-5.4 2.1/9317=98, 2.1/9312=97...(18) HB3 GLN 27 - QB ALA 52 far 10 100 10 - 1.9-23.0 HG3 PRO 113 - QB ALA 52 far 5 100 5 - 5.8-16.6 HG3 PRO 58 - QB ALA 52 far 0 96 0 - 6.3-7.9 HB2 GLN 127 - QB ALA 52 far 0 100 0 - 7.6-10.8 HB VAL 118 - QB ALA 52 far 0 100 0 - 8.6-16.4 QE MET 11 - QB ALA 52 far 0 85 0 - 9.2-27.7 HB3 GLU 44 - QB ALA 52 far 0 87 0 - 9.6-11.7 Violated in 1 structures by 0.01 A. Peak 9242 from cnoeabs.peaks (2.39, 1.48, 18.03 ppm; 5.77 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 55 + QB ALA 52 OK 99 99 100 100 3.0-6.9 ~10909=77, 9239/2.1=77...(12) HG3 GLN 61 + QB ALA 52 OK 70 71 100 98 3.4-7.1 3.5/9369=68, 3.5/9375=60...(9) HB3 PRO 58 - QB ALA 52 far 0 76 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 9243 from cnoeabs.peaks (3.87, 1.48, 18.03 ppm; 5.56 A): 2 out of 7 assignments used, quality = 0.95: HB3 SER 50 + QB ALA 52 OK 88 93 100 94 6.0-6.7 4.7/9224=39, 3.9/6618=30...(17) HA LEU 62 + QB ALA 52 OK 59 60 100 99 2.9-6.0 3.9/9232=93, 3.0/9241=33...(9) HA LEU 123 - QB ALA 52 poor 14 65 35 59 6.5-9.0 4.0/9231=22...(7) HA ALA 46 - QB ALA 52 far 4 81 5 - 7.0-7.8 HA2 GLY 114 - QB ALA 52 far 0 99 0 - 7.7-13.4 HA2 GLY 2 - QB ALA 52 far 0 85 0 - 7.7-55.8 HA3 GLY 2 - QB ALA 52 far 0 85 0 - 8.7-56.0 Violated in 0 structures by 0.00 A. Peak 9244 from cnoeabs.peaks (3.91, 4.13, 54.53 ppm; 5.10 A): 1 out of 6 assignments used, quality = 0.57: HB2 SER 51 + HA ALA 52 OK 57 63 100 91 4.0-5.6 6649/2.9=53, 9219/3.6=36...(8) HB3 SER 50 - HA ALA 52 far 0 68 0 - 7.5-8.3 HD3 PRO 113 - HA ALA 52 far 0 76 0 - 7.9-19.8 HA2 GLY 2 - HA ALA 52 far 0 81 0 - 8.3-69.2 HA2 GLY 14 - HA ALA 52 far 0 100 0 - 8.7-37.5 HA3 GLY 2 - HA ALA 52 far 0 81 0 - 9.1-69.4 Violated in 5 structures by 0.12 A. Peak 9245 from cnoeabs.peaks (7.54, 4.13, 54.53 ppm; 6.74 A): 2 out of 4 assignments used, quality = 0.98: H THR 54 + HA ALA 52 OK 93 93 100 100 3.8-5.1 6669/3.6=93...(13) HE22 GLN 61 + HA ALA 52 OK 72 73 100 98 4.0-7.6 ~9375=75, 9369/2.1=59...(7) HE22 GLN 27 - HA ALA 52 far 10 100 10 - 6.1-32.1 H LEU 119 - HA ALA 52 far 0 99 0 - 9.9-18.5 Violated in 0 structures by 0.00 A. Peak 9246 from cnoeabs.peaks (7.55, 1.48, 18.03 ppm; 5.36 A): 2 out of 4 assignments used, quality = 1.00: H THR 54 + QB ALA 52 OK 100 100 100 100 4.3-5.0 6675/6662=89...(10) HE22 GLN 61 + QB ALA 52 OK 98 99 100 100 2.0-5.2 9369=86, 9371/9312=69...(8) HE22 GLN 27 - QB ALA 52 far 9 89 10 - 4.7-24.7 H LEU 119 - QB ALA 52 far 0 98 0 - 7.9-15.1 Violated in 0 structures by 0.00 A. Peak 9247 from cnoeabs.peaks (8.29, 1.48, 18.03 ppm; 5.95 A): 1 out of 8 assignments used, quality = 0.92: H LEU 49 + QB ALA 52 OK 92 92 100 100 4.2-4.9 ~6645=52, 3.9/9240=43...(28) H ALA 21 - QB ALA 52 far 8 83 10 - 5.6-25.8 H GLU 30 - QB ALA 52 far 7 71 10 - 6.8-19.5 H LEU 123 - QB ALA 52 far 0 63 0 - 7.4-10.8 H LEU 69 - QB ALA 52 far 0 97 0 - 8.1-10.8 H ALA 110 - QB ALA 52 far 0 95 0 - 9.3-19.4 H VAL 126 - QB ALA 52 far 0 100 0 - 9.3-11.7 H GLY 111 - QB ALA 52 far 0 92 0 - 9.4-18.5 Violated in 0 structures by 0.00 A. Peak 9248 from cnoeabs.peaks (8.02, 4.18, 56.53 ppm; 5.93 A): 1 out of 3 assignments used, quality = 0.98: H ALA 52 + HA LEU 53 OK 98 98 100 100 4.8-5.2 10963/3.8=80...(19) H VAL 57 - HA LEU 53 lone 14 95 95 16 5.3-7.5 9261/9264=10...(3) H CYS 125 - HA LEU 53 far 0 73 0 - 8.1-12.6 Violated in 0 structures by 0.00 A. Peak 9252 from cnoeabs.peaks (0.68, 4.18, 56.53 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 62 + HA LEU 53 OK 100 100 100 100 2.8-5.6 10038=99, 10338/1679=73...(16) QD2 LEU 100 - HA LEU 53 far 5 100 5 - 5.3-12.3 Violated in 11 structures by 0.28 A. Peak 9253 from cnoeabs.peaks (0.68, 1.94, 27.00 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.94: QD2 LEU 62 + HG LEU 53 OK 94 99 95 100 2.4-7.6 10338/2.1=85...(21) QD2 LEU 100 - HG LEU 53 lone 3 100 30 11 3.9-13.3 9432/9442=3...(4) Violated in 6 structures by 0.33 A. Peak 9254 from cnoeabs.peaks (3.87, 0.97, 25.20 ppm; 4.68 A): 3 out of 9 assignments used, quality = 0.65: HA LEU 123 + QD2 LEU 53 OK 41 65 85 73 4.5-6.6 2.9/11818=39, ~3907=17...(11) HA LEU 62 + QD2 LEU 53 OK 24 60 45 88 1.9-9.1 3.9/10338=75, ~9395=18...(9) HB3 SER 50 + QD2 LEU 53 OK 23 93 25 99 4.2-8.0 ~11816=45, 3.0/11725=37...(26) HA2 GLY 114 - QD2 LEU 53 far 5 99 5 - 5.7-14.0 HA ALA 46 - QD2 LEU 53 far 4 81 5 - 6.0-9.9 HA2 GLY 2 - QD2 LEU 53 far 0 85 0 - 7.7-56.6 HD2 PRO 117 - QD2 LEU 53 far 0 92 0 - 8.6-14.4 HA3 GLY 2 - QD2 LEU 53 far 0 85 0 - 8.8-57.5 HA LEU 70 - QD2 LEU 53 far 0 99 0 - 9.2-14.8 Violated in 6 structures by 0.24 A. Peak 9255 from cnoeabs.peaks (2.94, 0.97, 25.20 ppm; 5.31 A): 0 out of 7 assignments used, quality = 0.00: HB3 ASN 116 - QD2 LEU 53 poor 20 100 20 - 5.7-14.1 HE2 LYS 26 - QD2 LEU 53 far 0 60 0 - 8.6-22.8 HB2 CYS 45 - QD2 LEU 53 far 0 100 0 - 8.8-13.4 HE3 LYS 26 - QD2 LEU 53 far 0 60 0 - 9.2-21.3 HE3 LYS 24 - QD2 LEU 53 far 0 76 0 - 9.2-24.9 HG CYS 73 - QD2 LEU 53 far 0 100 0 - 9.5-15.5 HE3 LYS 36 - QD2 LEU 53 far 0 76 0 - 10.0-20.6 Violated in 20 structures by 2.76 A. Peak 9256 from cnoeabs.peaks (2.28, 0.97, 25.20 ppm; 5.08 A): 0 out of 4 assignments used, quality = 0.00: HG2 GLN 61 - QD2 LEU 53 poor 20 100 40 50 3.3-11.2 1.8/11408=23...(6) HB3 PRO 113 - QD2 LEU 53 far 10 100 10 - 4.9-16.2 HG2 GLU 30 - QD2 LEU 53 far 0 99 0 - 7.0-23.0 HB3 GLN 101 - QD2 LEU 53 far 0 81 0 - 9.0-17.5 Violated in 15 structures by 2.17 A. Peak 9260 from cnoeabs.peaks (4.35, 0.97, 25.20 ppm; 6.80 A): 2 out of 7 assignments used, quality = 0.41: HA ASN 59 + QD2 LEU 53 OK 24 95 50 50 5.2-11.4 9387/10338=46, 10700/1683=4 HA ASP 47 + QD2 LEU 53 OK 23 100 40 57 6.1-9.9 1468/11785=29...(4) HA PRO 113 - QD2 LEU 53 poor 14 71 20 - 5.8-14.6 HA PRO 117 - QD2 LEU 53 lone 6 83 40 19 6.2-12.7 10236/1685=11...(3) HA CYS 125 - QD2 LEU 53 poor 6 99 25 25 6.0-11.4 ~11728=12, ~10366=7...(4) HA LYS 24 - QD2 LEU 53 far 5 96 5 - 7.4-23.5 HA LEU 69 - QD2 LEU 53 far 0 90 0 - 8.8-14.3 Violated in 9 structures by 0.52 A. Peak 9263 from cnoeabs.peaks (4.18, 1.24, 21.56 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.73: HA LEU 53 + QG2 THR 54 OK 73 100 80 91 4.8-5.6 3.6/6684=57, 3.8/9278=33...(9) HA GLU 128 - QG2 THR 54 far 0 92 0 - 8.2-13.3 HB THR 25 - QG2 THR 54 far 0 83 0 - 9.3-25.2 HB THR 18 - QG2 THR 54 far 0 96 0 - 9.5-33.3 Violated in 20 structures by 1.28 A. Peak 9269 from cnoeabs.peaks (2.06, 4.42, 61.58 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.34: HB3 GLU 55 + HA THR 54 OK 34 78 45 96 5.1-6.5 6693/3.6=58, ~9268=33...(11) HG3 PRO 113 - HA THR 54 far 5 100 5 - 5.8-19.6 HB2 GLN 127 - HA THR 54 far 0 99 0 - 6.9-12.1 HB2 LEU 62 - HA THR 54 far 0 99 0 - 8.1-11.5 HB VAL 118 - HA THR 54 far 0 99 0 - 8.6-16.6 HB VAL 57 - HA THR 54 far 0 68 0 - 8.8-10.9 Violated in 20 structures by 1.40 A. Peak 9272 from cnoeabs.peaks (1.97, 1.24, 21.56 ppm; 4.40 A): 2 out of 3 assignments used, quality = 0.85: HB3 LEU 53 + QG2 THR 54 OK 68 71 100 97 3.3-5.8 3.0/9263=73, 4.6/6684=55...(7) HB2 GLU 55 + QG2 THR 54 OK 51 78 70 94 2.8-6.8 3.8/6690=58, 3.0/9288=42...(9) HB2 GLN 27 - QG2 THR 54 far 0 100 0 - 8.0-28.0 Violated in 3 structures by 0.08 A. Peak 9275 from cnoeabs.peaks (0.90, 1.24, 21.56 ppm; 3.24 A): 1 out of 11 assignments used, quality = 0.21: QD1 LEU 123 + QG2 THR 54 OK 21 73 45 62 2.4-6.4 2.1/11510=22, 11584=18...(11) QD2 LEU 123 - QG2 THR 54 poor 17 85 30 68 3.6-8.6 11510=25, 2.1/11640=21...(12) QD1 LEU 49 - QG2 THR 54 far 5 98 5 - 4.7-8.2 QG2 VAL 20 - QG2 THR 54 far 0 96 0 - 5.6-24.6 QG1 VAL 118 - QG2 THR 54 far 0 100 0 - 6.3-13.4 QD1 LEU 62 - QG2 THR 54 far 0 97 0 - 6.5-10.4 QD2 LEU 48 - QG2 THR 54 far 0 100 0 - 6.5-11.9 QG1 VAL 20 - QG2 THR 54 far 0 100 0 - 7.0-26.2 QD1 LEU 48 - QG2 THR 54 far 0 83 0 - 7.4-11.2 QG2 VAL 112 - QG2 THR 54 far 0 83 0 - 9.4-16.3 QD1 LEU 22 - QG2 THR 54 far 0 98 0 - 9.7-26.3 Violated in 16 structures by 1.60 A. Peak 9277 from cnoeabs.peaks (0.88, 4.42, 61.58 ppm; 5.12 A): 2 out of 8 assignments used, quality = 0.76: QG2 VAL 57 + HA THR 54 OK 58 81 90 80 5.3-7.2 9295/3.0=57...(4) QD2 LEU 123 + HA THR 54 OK 42 100 45 94 3.1-9.0 2.1/11568=36, ~9275=36...(9) QD1 LEU 49 - HA THR 54 poor 12 60 20 - 5.9-9.4 QG2 VAL 20 - HA THR 54 far 5 99 5 - 6.2-30.3 QG1 VAL 118 - HA THR 54 far 0 90 0 - 7.3-13.2 QG1 VAL 20 - HA THR 54 far 0 73 0 - 7.9-32.4 QD2 LEU 69 - HA THR 54 far 0 93 0 - 8.3-15.8 QD2 LEU 48 - HA THR 54 far 0 71 0 - 8.7-13.1 Violated in 15 structures by 0.56 A. Peak 9278 from cnoeabs.peaks (0.78, 1.24, 21.56 ppm; 4.37 A): 1 out of 8 assignments used, quality = 0.73: QD1 LEU 53 + QG2 THR 54 OK 73 97 80 94 3.1-6.2 3.8/9263=61, 4.6/6684=54...(9) QD2 LEU 119 - QG2 THR 54 poor 18 87 30 67 4.8-13.1 11621/9263=42...(10) QD2 LEU 122 - QG2 THR 54 far 0 100 0 - 6.3-11.3 QD1 LEU 122 - QG2 THR 54 far 0 73 0 - 6.5-11.1 QD2 LEU 49 - QG2 THR 54 far 0 93 0 - 6.8-9.9 QD1 LEU 103 - QG2 THR 54 far 0 100 0 - 9.4-14.6 QD2 LEU 43 - QG2 THR 54 far 0 63 0 - 9.5-15.3 QD1 LEU 96 - QG2 THR 54 far 0 97 0 - 9.7-14.1 Violated in 18 structures by 0.77 A. Peak 9281 from cnoeabs.peaks (3.65, 1.99, 30.10 ppm; 4.58 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HB2 GLU 55 OK 100 100 100 100 2.0-4.0 4.8=87, 9282/1.8=45...(31) HD3 PRO 56 + HB2 GLU 55 OK 100 100 100 100 3.1-4.9 4.8=87, 9282/1.8=44...(31) Violated in 0 structures by 0.00 A. Peak 9282 from cnoeabs.peaks (3.65, 2.04, 30.10 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HB3 GLU 55 OK 100 100 100 100 1.7-4.3 4.8=74, 4.8/6693=48...(36) HD3 PRO 56 + HB3 GLU 55 OK 100 100 100 100 2.9-5.1 4.8=74, 4.8/6693=48...(35) Violated in 0 structures by 0.00 A. Peak 9283 from cnoeabs.peaks (3.65, 2.47, 33.76 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HG2 GLU 55 OK 100 100 100 100 3.7-5.7 4.8/6694=53, 10912=47...(34) HD2 PRO 56 + HG2 GLU 55 OK 99 99 100 100 3.0-4.9 4.8/6694=53, 9284/1.8=42...(34) Violated in 0 structures by 0.00 A. Peak 9284 from cnoeabs.peaks (3.63, 2.40, 33.76 ppm; 4.46 A): 3 out of 7 assignments used, quality = 0.97: HD3 PRO 56 + HG3 GLU 55 OK 83 83 100 100 3.1-5.8 4.8/6695=48, 9291=39...(36) HD2 PRO 56 + HG3 GLU 55 OK 63 63 100 100 2.1-5.3 4.8/6695=48, 1.8/9291=42...(37) HD2 PRO 58 + HG3 GLN 61 OK 61 61 100 99 2.7-5.0 10934/1.8=62...(25) HD2 PRO 58 - HG3 GLU 55 far 0 97 0 - 6.5-10.2 HA3 GLY 66 - HG3 GLN 61 far 0 67 0 - 7.8-11.3 HA2 GLY 66 - HG3 GLN 61 far 0 67 0 - 8.2-10.7 HD2 PRO 56 - HG3 GLN 61 far 0 35 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 9285 from cnoeabs.peaks (3.83, 2.47, 33.76 ppm; 6.70 A): 1 out of 5 assignments used, quality = 0.34: HD2 PRO 81 + HG3 GLN 82 OK 34 40 85 100 4.9-8.4 ~11247=72, ~11246=63...(15) HD3 PRO 58 - HG2 GLU 55 far 10 99 10 - 7.1-10.8 HA LEU 62 - HG2 GLU 55 far 9 87 10 - 8.0-12.7 HB2 SER 50 - HG2 GLU 55 far 0 97 0 - 8.6-12.0 HB2 SER 9 - HG2 GLU 55 far 0 73 0 - 9.4-50.8 Violated in 8 structures by 0.32 A. Peak 9286 from cnoeabs.peaks (3.88, 2.40, 33.76 ppm; 6.80 A): 0 out of 8 assignments used, quality = 0.00: HB3 SER 60 - HG3 GLN 61 poor 16 39 100 42 3.9-7.8 4.6/1952=20...(5) HB2 SER 60 - HG3 GLN 61 poor 16 39 100 42 3.8-7.8 4.6/1952=20...(5) HB3 SER 50 - HG3 GLU 55 far 5 99 5 - 7.9-11.6 HA2 GLY 2 - HG3 GLU 55 far 5 97 5 - 8.1-72.3 HA3 GLY 2 - HG3 GLU 55 far 5 97 5 - 8.2-72.4 HA2 GLY 114 - HG3 GLN 61 lone 1 67 30 3 6.6-14.4 HA2 GLY 114 - HG3 GLU 55 far 0 100 0 - 9.2-15.7 HA ALA 46 - HG3 GLN 61 far 0 59 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 9287 from cnoeabs.peaks (1.58, 2.47, 33.76 ppm; 4.70 A): 0 out of 3 assignments used, quality = 0.00: HG2 ARG 23 - HG2 GLU 55 far 0 99 0 - 6.7-32.8 HG LEU 123 - HG2 GLU 55 far 0 90 0 - 7.0-11.5 HG LEU 49 - HG2 GLU 55 far 0 97 0 - 9.5-12.9 Violated in 20 structures by 3.89 A. Peak 9288 from cnoeabs.peaks (1.23, 2.47, 33.76 ppm; 5.28 A): 1 out of 4 assignments used, quality = 0.89: QG2 THR 54 + HG2 GLU 55 OK 89 90 100 98 2.4-5.7 4.2/6694=74, 9289/1.8=57...(6) QG2 THR 83 - HG3 GLN 82 poor 19 54 35 - 4.8-7.5 HG12 ILE 80 - HG3 GLN 82 far 3 55 5 - 5.6-10.0 QG2 THR 65 - HG2 GLU 55 far 0 100 0 - 7.8-12.1 Violated in 4 structures by 0.05 A. Peak 9289 from cnoeabs.peaks (1.21, 2.40, 33.76 ppm; 6.40 A): 2 out of 6 assignments used, quality = 0.82: QG2 THR 54 + HG3 GLU 55 OK 63 63 100 100 1.9-6.4 9288/1.8=95, 4.2/6695=92...(6) QG2 THR 65 + HG3 GLN 61 OK 51 55 100 93 3.6-7.8 11024/1.8=85...(6) QG2 THR 65 - HG3 GLU 55 far 9 90 10 - 7.8-11.2 QG2 THR 25 - HG3 GLN 61 far 6 39 15 - 4.9-22.9 QG2 THR 25 - HG3 GLU 55 far 3 68 5 - 7.3-26.2 QG2 THR 54 - HG3 GLN 61 far 0 35 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 9291 from cnoeabs.peaks (2.38, 3.65, 49.73 ppm; 5.42 A): 2 out of 2 assignments used, quality = 0.97: HG3 GLU 55 + HD3 PRO 56 OK 85 85 100 100 3.1-5.8 6695/4.8=58...(36) HG3 GLU 55 + HD2 PRO 56 OK 77 77 100 100 2.1-5.3 6695/4.8=58, 1.8/9283=49...(37) Violated in 0 structures by 0.00 A. Peak 9292 from cnoeabs.peaks (0.93, 3.65, 49.73 ppm; 6.51 A): 2 out of 13 assignments used, quality = 0.98: QG1 VAL 57 + HD3 PRO 56 OK 89 89 100 100 5.4-6.3 10920/3.6=79...(15) QG1 VAL 57 + HD2 PRO 56 OK 81 81 100 100 4.4-5.3 10920/3.6=79...(18) QD1 LEU 119 - HD3 PRO 56 poor 20 97 60 34 5.3-13.8 10917/3.6=17...(4) QD1 LEU 119 - HD2 PRO 56 poor 17 91 55 34 5.8-14.6 10917/3.6=17...(4) QD1 LEU 123 - HD3 PRO 56 far 15 100 15 - 7.6-11.7 QG2 VAL 112 - HD3 PRO 56 far 10 99 10 - 6.1-16.3 QD1 LEU 123 - HD2 PRO 56 far 9 95 10 - 7.9-11.9 QG2 VAL 112 - HD2 PRO 56 far 9 93 10 - 6.7-16.6 QD1 LEU 62 - HD3 PRO 56 far 9 87 10 - 7.3-12.0 QD1 LEU 62 - HD2 PRO 56 far 8 79 10 - 7.3-11.8 QG1 VAL 20 - HD3 PRO 56 far 7 73 10 - 5.3-34.3 QG1 VAL 20 - HD2 PRO 56 far 7 66 10 - 3.8-33.1 QD2 LEU 48 - HD2 PRO 56 far 0 68 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 9293 from cnoeabs.peaks (7.76, 3.65, 49.73 ppm; 5.49 A): 2 out of 2 assignments used, quality = 1.00: H GLU 55 + HD3 PRO 56 OK 100 100 100 100 4.4-5.1 4.8=100 H GLU 55 + HD2 PRO 56 OK 95 95 100 100 4.6-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 9294 from cnoeabs.peaks (0.92, 2.47, 33.76 ppm; 4.06 A): 1 out of 11 assignments used, quality = 0.33: QG1 VAL 57 + HG2 GLU 55 OK 33 71 60 77 2.8-6.4 9279/6694=31...(8) QD1 LEU 123 - HG2 GLU 55 far 5 100 5 - 5.5-9.4 QG1 VAL 20 - HG2 GLU 55 far 5 90 5 - 4.5-30.0 QD1 LEU 62 - HG2 GLU 55 far 0 97 0 - 5.6-12.6 QD1 LEU 119 - HG2 GLU 55 far 0 87 0 - 5.8-14.4 QD2 LEU 48 - HG2 GLU 55 far 0 92 0 - 6.2-11.9 QD1 LEU 49 - HG2 GLU 55 far 0 97 0 - 6.9-10.7 QD1 LEU 48 - HG2 GLU 55 far 0 100 0 - 8.2-10.9 QD1 LEU 22 - HG2 GLU 55 far 0 60 0 - 9.7-31.5 QG1 VAL 118 - HG2 GLU 55 far 0 73 0 - 9.8-15.9 QG2 VAL 112 - HG2 GLU 55 far 0 100 0 - 9.8-18.5 Violated in 15 structures by 0.95 A. Peak 9295 from cnoeabs.peaks (7.53, 0.86, 19.35 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.64: H THR 54 + QG2 VAL 57 OK 64 81 95 84 4.6-6.2 6674/9304=33...(8) H LEU 119 - QG2 VAL 57 far 0 93 0 - 5.9-12.5 HE22 GLN 27 - QG2 VAL 57 far 0 99 0 - 8.4-24.4 Violated in 20 structures by 0.86 A. Peak 9296 from cnoeabs.peaks (7.45, 0.86, 19.35 ppm; 4.46 A): 2 out of 4 assignments used, quality = 0.92: H LEU 62 + QG2 VAL 57 OK 88 89 100 99 4.0-5.3 6794/9316=57...(14) H GLN 61 + QG2 VAL 57 OK 30 57 55 97 5.4-6.3 4.0/9378=50...(10) HE22 GLN 127 - QG2 VAL 57 far 0 71 0 - 6.7-11.3 HE22 GLN 104 - QG2 VAL 57 far 0 76 0 - 9.7-13.0 Violated in 11 structures by 0.11 A. Peak 9297 from cnoeabs.peaks (7.54, 0.95, 21.50 ppm; 5.52 A): 2 out of 4 assignments used, quality = 0.94: HE22 GLN 61 + QG1 VAL 57 OK 76 76 100 100 2.0-4.3 1.7/9376=90, 3.5/9377=79...(16) H THR 54 + QG1 VAL 57 OK 75 95 80 100 6.0-7.8 9295/2.1=93...(9) HE22 GLN 27 - QG1 VAL 57 far 0 100 0 - 8.2-25.5 H LEU 119 - QG1 VAL 57 far 0 99 0 - 8.4-15.1 Violated in 0 structures by 0.00 A. Peak 9298 from cnoeabs.peaks (7.43, 0.95, 21.50 ppm; 5.38 A): 2 out of 2 assignments used, quality = 1.00: H LEU 62 + QG1 VAL 57 OK 99 99 100 100 4.4-5.4 6794/9311=77...(18) H GLN 61 + QG1 VAL 57 OK 99 99 100 99 4.8-6.0 4.5/9377=65...(13) Violated in 0 structures by 0.00 A. Peak 9299 from cnoeabs.peaks (6.88, 0.95, 21.50 ppm; 6.04 A): 1 out of 4 assignments used, quality = 1.00: HE21 GLN 61 + QG1 VAL 57 OK 100 100 100 100 1.9-3.3 9300/2.1=91, 9376=90...(14) HE21 GLN 27 - QG1 VAL 57 far 7 68 10 - 7.0-26.3 HD22 ASN 13 - QG1 VAL 57 far 7 65 10 - 4.9-32.2 HE21 GLN 68 - QG1 VAL 57 far 0 87 0 - 9.9-15.0 Violated in 0 structures by 0.00 A. Peak 9300 from cnoeabs.peaks (6.88, 0.86, 19.35 ppm; 5.42 A): 1 out of 3 assignments used, quality = 1.00: HE21 GLN 61 + QG2 VAL 57 OK 100 100 100 100 2.4-5.3 9376/2.1=89...(14) HD22 ASN 13 - QG2 VAL 57 far 0 65 0 - 7.2-32.7 HE21 GLN 27 - QG2 VAL 57 far 0 68 0 - 7.2-25.1 Violated in 0 structures by 0.00 A. Peak 9302 from cnoeabs.peaks (3.63, 2.09, 32.84 ppm; 4.15 A): 1 out of 3 assignments used, quality = 0.99: HD2 PRO 58 + HB VAL 57 OK 99 99 100 100 1.8-3.1 9309/2.1=85, 4.8=64...(26) HD3 PRO 56 - HB VAL 57 far 0 73 0 - 8.0-8.5 HA3 GLY 66 - HB VAL 57 far 0 99 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9303 from cnoeabs.peaks (3.82, 2.09, 32.84 ppm; 4.07 A): 2 out of 5 assignments used, quality = 1.00: HD3 PRO 58 + HB VAL 57 OK 100 100 100 100 3.3-4.3 9308/2.1=84, 1.8/9302=79...(24) HA LEU 62 + HB VAL 57 OK 61 78 90 86 4.4-5.9 3.9/10922=41...(10) HA LEU 123 - HB VAL 57 far 0 73 0 - 8.8-13.7 HB2 SER 9 - HB VAL 57 far 0 83 0 - 9.9-51.3 HB3 SER 9 - HB VAL 57 far 0 85 0 - 9.9-49.7 Violated in 0 structures by 0.00 A. Peak 9304 from cnoeabs.peaks (4.14, 0.86, 19.35 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.97: HA ALA 52 + QG2 VAL 57 OK 97 97 100 100 2.9-4.6 2.1/9317=92, 10908=78...(17) HA3 GLY 114 - QG2 VAL 57 lone 1 87 35 2 3.5-11.0 HA CYS 45 - QG2 VAL 57 far 0 83 0 - 10.0-11.9 Violated in 8 structures by 0.10 A. Peak 9305 from cnoeabs.peaks (3.83, 0.86, 19.35 ppm; 4.14 A): 2 out of 8 assignments used, quality = 1.00: HD3 PRO 58 + QG2 VAL 57 OK 97 97 100 100 4.5-4.9 9308/2.1=86, 4.6=75...(26) HA LEU 62 + QG2 VAL 57 OK 90 92 100 98 3.6-5.6 3.9/9319=63, 3.7/9316=61...(14) HA LEU 123 - QG2 VAL 57 far 0 89 0 - 6.7-10.1 HA VAL 118 - QG2 VAL 57 far 0 92 0 - 8.5-14.2 HB2 SER 50 - QG2 VAL 57 far 0 99 0 - 8.7-9.5 HD2 PRO 117 - QG2 VAL 57 far 0 60 0 - 8.9-16.4 HB2 SER 9 - QG2 VAL 57 far 0 65 0 - 9.0-43.0 HB3 SER 9 - QG2 VAL 57 far 0 68 0 - 9.3-41.7 Violated in 5 structures by 0.03 A. Peak 9306 from cnoeabs.peaks (3.62, 0.86, 19.35 ppm; 4.12 A): 2 out of 4 assignments used, quality = 1.00: HD2 PRO 58 + QG2 VAL 57 OK 100 100 100 100 3.6-4.3 9309/2.1=87, 9302/2.1=75...(28) HD3 PRO 56 + QG2 VAL 57 OK 52 60 90 96 4.9-5.9 3.6/10919=51...(17) HA3 GLY 66 - QG2 VAL 57 far 0 95 0 - 7.4-9.8 HA2 GLY 66 - QG2 VAL 57 far 0 99 0 - 7.9-10.1 Violated in 1 structures by 0.00 A. Peak 9307 from cnoeabs.peaks (4.13, 0.95, 21.50 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 52 + QG1 VAL 57 OK 99 99 100 100 3.6-4.5 2.1/9312=100, ~9317=100...(19) HA LEU 49 + QG1 VAL 57 OK 37 85 100 43 5.2-7.8 1631/9312=36, 3152/2.1=5 HA LEU 48 - QG1 VAL 57 poor 6 89 30 24 7.7-9.7 1631/9312=22 HA3 GLY 114 - QG1 VAL 57 lone 2 100 55 4 5.9-12.5 HA CYS 45 - QG1 VAL 57 far 0 100 0 - 9.5-12.7 HA ILE 32 - QG1 VAL 57 far 0 89 0 - 9.7-22.2 Violated in 0 structures by 0.00 A. Peak 9308 from cnoeabs.peaks (3.82, 0.95, 21.50 ppm; 4.26 A): 2 out of 6 assignments used, quality = 1.00: HD3 PRO 58 + QG1 VAL 57 OK 100 100 100 100 2.9-3.8 3.9=100 HA LEU 62 + QG1 VAL 57 OK 53 78 70 96 5.0-6.3 3.7/9311=52...(13) HB2 SER 9 - QG1 VAL 57 far 0 83 0 - 6.6-42.4 HB3 SER 9 - QG1 VAL 57 far 0 85 0 - 6.8-41.1 HA LEU 123 - QG1 VAL 57 far 0 73 0 - 8.0-12.3 HB2 SER 50 - QG1 VAL 57 far 0 93 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 9309 from cnoeabs.peaks (3.63, 0.95, 21.50 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.99: HD2 PRO 58 + QG1 VAL 57 OK 99 99 100 100 1.9-2.9 3.9=100 HD3 PRO 56 - QG1 VAL 57 poor 18 71 25 - 5.4-6.3 HA3 GLY 66 - QG1 VAL 57 far 0 98 0 - 9.1-10.6 HA2 GLY 66 - QG1 VAL 57 far 0 100 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 9311 from cnoeabs.peaks (1.65, 0.95, 21.50 ppm; 4.34 A): 1 out of 11 assignments used, quality = 0.50: HG LEU 62 + QG1 VAL 57 OK 50 100 50 100 4.6-7.1 9316/2.1=90...(13) HD2 LYS 19 - QG1 VAL 57 far 5 100 5 - 4.2-32.2 HD3 LYS 19 - QG1 VAL 57 far 5 100 5 - 5.0-31.7 HD2 LYS 24 - QG1 VAL 57 far 5 97 5 - 5.8-24.9 HD3 LYS 24 - QG1 VAL 57 far 0 97 0 - 6.0-24.4 HG LEU 119 - QG1 VAL 57 far 0 63 0 - 6.8-13.3 HB2 LEU 123 - QG1 VAL 57 far 0 100 0 - 7.1-11.0 HG3 ARG 23 - QG1 VAL 57 far 0 73 0 - 8.0-26.1 HD3 LYS 26 - QG1 VAL 57 far 0 99 0 - 8.5-25.3 HD2 LYS 26 - QG1 VAL 57 far 0 97 0 - 8.9-25.6 HD2 LYS 36 - QG1 VAL 57 far 0 83 0 - 9.2-21.4 Violated in 20 structures by 1.49 A. Peak 9312 from cnoeabs.peaks (1.48, 0.95, 21.50 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 52 + QG1 VAL 57 OK 100 100 100 100 2.2-4.1 9317/2.1=92, 2.1/9307=78...(20) HB2 LEU 49 - QG1 VAL 57 far 0 89 0 - 6.4-9.5 Violated in 1 structures by 0.00 A. Peak 9314 from cnoeabs.peaks (1.98, 0.86, 19.35 ppm; 3.58 A): 3 out of 9 assignments used, quality = 0.96: HB2 GLU 55 + QG2 VAL 57 OK 76 97 90 87 2.9-5.6 11905/9304=31, ~9294=27...(13) HB3 PRO 56 + QG2 VAL 57 OK 74 81 95 96 4.6-5.2 2.3/10919=50...(14) HG2 PRO 56 + QG2 VAL 57 OK 38 63 70 86 4.5-5.7 3.8/10919=36...(12) HB3 LEU 53 - QG2 VAL 57 poor 19 93 20 - 4.6-6.9 HG3 PRO 56 - QG2 VAL 57 far 0 63 0 - 5.6-6.6 HB VAL 20 - QG2 VAL 57 far 0 78 0 - 5.7-29.1 HB2 GLN 27 - QG2 VAL 57 far 0 92 0 - 7.1-21.7 HB2 GLU 30 - QG2 VAL 57 far 0 73 0 - 7.8-22.0 HB3 PRO 117 - QG2 VAL 57 far 0 60 0 - 8.8-16.2 Violated in 13 structures by 0.31 A. Peak 9315 from cnoeabs.peaks (1.98, 0.95, 21.50 ppm; 3.68 A): 3 out of 8 assignments used, quality = 0.98: HB3 PRO 56 + QG1 VAL 57 OK 86 89 100 97 4.6-5.1 2.3/10920=52...(15) HG2 PRO 56 + QG1 VAL 57 OK 65 73 100 88 4.3-5.1 3.8/10920=38...(13) HB2 GLU 55 + QG1 VAL 57 OK 52 99 60 87 3.2-5.7 3.0/9294=36...(12) HB VAL 20 - QG1 VAL 57 far 4 87 5 - 4.2-28.5 HG3 PRO 56 - QG1 VAL 57 far 0 73 0 - 5.7-6.4 HB2 GLN 27 - QG1 VAL 57 far 0 85 0 - 6.2-22.7 HB3 LEU 53 - QG1 VAL 57 far 0 97 0 - 6.5-8.7 HB2 GLU 30 - QG1 VAL 57 far 0 63 0 - 6.9-23.8 Violated in 15 structures by 0.24 A. Peak 9316 from cnoeabs.peaks (1.65, 0.86, 19.35 ppm; 3.63 A): 1 out of 9 assignments used, quality = 0.98: HG LEU 62 + QG2 VAL 57 OK 98 99 100 98 2.3-5.0 2.1/9319=80, 9311/2.1=51...(10) HB2 LEU 123 - QG2 VAL 57 far 0 100 0 - 5.2-8.6 HD2 LYS 19 - QG2 VAL 57 far 0 100 0 - 6.7-31.3 HD3 LYS 24 - QG2 VAL 57 far 0 99 0 - 7.0-24.7 HD2 LYS 24 - QG2 VAL 57 far 0 99 0 - 7.1-25.2 HD3 LYS 19 - QG2 VAL 57 far 0 100 0 - 7.5-30.8 HG3 ARG 23 - QG2 VAL 57 far 0 63 0 - 9.5-26.3 HD3 LYS 26 - QG2 VAL 57 far 0 100 0 - 9.9-23.3 HD2 LYS 26 - QG2 VAL 57 far 0 99 0 - 9.9-23.5 Violated in 10 structures by 0.39 A. Peak 9317 from cnoeabs.peaks (1.48, 0.86, 19.35 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 52 + QG2 VAL 57 OK 99 100 100 99 1.9-4.0 9312/2.1=62, 2.1/9304=52...(19) HB2 LEU 49 - QG2 VAL 57 far 0 87 0 - 5.8-8.0 Violated in 5 structures by 0.08 A. Peak 9318 from cnoeabs.peaks (1.25, 0.86, 19.35 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.55: QG2 THR 65 + QG2 VAL 57 OK 39 83 65 72 4.7-6.8 11024/10989=32...(5) QG2 THR 54 + QG2 VAL 57 OK 26 99 35 74 5.0-6.8 4.0/9295=48...(4) Violated in 20 structures by 0.81 A. Peak 9319 from cnoeabs.peaks (0.67, 0.86, 19.35 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.88: QD2 LEU 62 + QG2 VAL 57 OK 88 100 90 98 3.3-5.0 2.1/9316=58...(15) QD2 LEU 100 - QG2 VAL 57 far 0 100 0 - 6.4-10.6 Violated in 20 structures by 0.91 A. Peak 9321 from cnoeabs.peaks (1.46, 2.09, 32.84 ppm; 6.30 A): 1 out of 5 assignments used, quality = 0.85: QB ALA 52 + HB VAL 57 OK 85 85 100 100 3.6-5.4 ~9304=93, ~9307=92...(18) HG3 LYS 19 - HB VAL 57 far 4 89 5 - 7.1-37.0 HG2 LYS 26 - HB VAL 57 far 3 63 5 - 7.2-26.2 HG13 ILE 32 - HB VAL 57 far 0 78 0 - 9.3-21.8 HG3 LYS 24 - HB VAL 57 far 0 92 0 - 10.0-28.1 Violated in 0 structures by 0.00 A. Peak 9322 from cnoeabs.peaks (2.00, 4.59, 58.62 ppm; 4.43 A): 3 out of 8 assignments used, quality = 1.00: HB3 PRO 56 + HA VAL 57 OK 99 100 100 99 4.3-4.4 ~6697=46, ~10919=37...(25) HG2 PRO 56 + HA VAL 57 OK 95 100 100 95 5.0-5.1 9315/1808=24, ~9292=17...(21) HG2 PRO 58 + HA VAL 57 OK 73 73 100 100 4.3-4.6 ~9309=43, ~9308=42...(28) HB2 GLU 55 - HA VAL 57 far 14 96 15 - 5.6-7.5 HG3 PRO 56 - HA VAL 57 far 0 100 0 - 6.4-6.5 HB VAL 20 - HA VAL 57 far 0 100 0 - 7.7-36.6 HB3 GLU 30 - HA VAL 57 far 0 89 0 - 9.0-28.6 HB3 LEU 53 - HA VAL 57 far 0 98 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 9323 from cnoeabs.peaks (0.94, 3.62, 50.62 ppm; 4.29 A): 1 out of 9 assignments used, quality = 0.99: QG1 VAL 57 + HD2 PRO 58 OK 99 99 100 100 1.9-2.9 3.9=100 QD2 LEU 53 - HD2 PRO 58 far 7 71 10 - 5.4-12.1 QD1 LEU 62 - HD2 PRO 58 far 6 63 10 - 5.0-7.5 QD1 LEU 119 - HD2 PRO 58 far 0 100 0 - 6.0-13.5 QG2 VAL 112 - HD2 PRO 58 far 0 87 0 - 6.3-16.4 QD1 LEU 123 - HD2 PRO 58 far 0 93 0 - 7.3-13.7 QG1 VAL 112 - HD2 PRO 58 far 0 68 0 - 8.0-14.4 QD1 LEU 49 - HD2 PRO 58 far 0 60 0 - 9.0-11.8 QD1 LEU 48 - HD2 PRO 58 far 0 87 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 9324 from cnoeabs.peaks (0.84, 3.62, 50.62 ppm; 5.46 A): 1 out of 3 assignments used, quality = 0.85: QG2 VAL 57 + HD2 PRO 58 OK 85 85 100 100 3.6-4.3 4.6=100 QD2 LEU 22 - HD2 PRO 58 far 10 100 10 - 6.3-27.3 QG2 ILE 32 - HD2 PRO 58 far 0 97 0 - 9.1-19.5 Violated in 0 structures by 0.00 A. Peak 9325 from cnoeabs.peaks (0.94, 3.82, 50.62 ppm; 4.30 A): 1 out of 7 assignments used, quality = 0.99: QG1 VAL 57 + HD3 PRO 58 OK 99 99 100 100 2.9-3.8 3.9=100 QG2 VAL 112 - HD3 PRO 58 far 4 87 5 - 5.3-16.2 QD1 LEU 62 - HD3 PRO 58 far 0 63 0 - 5.9-8.4 QD1 LEU 119 - HD3 PRO 58 far 0 100 0 - 6.0-14.0 QD2 LEU 53 - HD3 PRO 58 far 0 71 0 - 6.8-13.1 QG1 VAL 112 - HD3 PRO 58 far 0 68 0 - 7.3-14.2 QD1 LEU 123 - HD3 PRO 58 far 0 93 0 - 8.3-14.8 Violated in 0 structures by 0.00 A. Peak 9326 from cnoeabs.peaks (0.84, 3.82, 50.62 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.76: QG2 VAL 57 + HD3 PRO 58 OK 76 76 100 100 4.5-4.9 4.6=100 QD2 LEU 22 - HD3 PRO 58 far 0 100 0 - 6.8-28.7 Violated in 14 structures by 0.07 A. Peak 9327 from cnoeabs.peaks (0.81, 1.95, 32.16 ppm; 6.80 A): 8 out of 20 assignments used, quality = 0.99: QD2 LEU 119 + HB2 PRO 58 OK 74 97 80 96 4.5-14.3 10927/2.3=90...(8) QD1 LEU 70 + HB3 LYS 95 OK 52 82 90 70 6.6-9.9 11097/4.0=32...(8) QD1 LEU 70 + HB2 LYS 95 OK 47 75 90 70 6.4-9.7 11097/4.0=32...(8) QG2 ILE 129 + HB2 LYS 95 OK 31 72 60 72 7.2-9.0 9946/9948=63...(5) QD1 LEU 122 + HB3 LYS 95 OK 27 83 75 43 6.1-9.7 9498/11658=17...(7) QD2 LEU 122 + HB3 LYS 95 OK 26 53 90 55 5.3-9.6 9259/11650=20...(10) QG1 VAL 63 + HB2 PRO 58 OK 24 60 90 44 7.4-9.3 10993/9333=24, ~10981=10...(5) QD2 LEU 122 + HB2 LYS 95 OK 22 47 85 56 5.8-9.2 9259/11650=22...(10) QD1 LEU 122 - HB2 LYS 95 poor 16 76 50 42 5.7-9.8 9498/11658=17...(8) QD2 LEU 22 - HB2 PRO 58 far 6 57 10 - 7.1-28.7 QG2 ILE 129 - HB3 LYS 95 far 0 79 0 - 8.4-10.1 QD2 LEU 119 - HB3 LYS 95 far 0 78 0 - 8.4-14.0 QD1 LEU 53 - HB2 LYS 95 far 0 61 0 - 8.8-12.1 QD1 LEU 53 - HB3 LYS 95 far 0 68 0 - 8.9-12.3 QD1 LEU 53 - HB2 PRO 58 far 0 87 0 - 9.0-13.8 QD2 LEU 122 - HB2 PRO 58 far 0 71 0 - 9.1-13.4 QD1 LEU 122 - HB2 PRO 58 far 0 100 0 - 9.2-13.4 QD2 LEU 49 - HB2 LYS 95 far 0 65 0 - 9.3-12.2 QD2 LEU 49 - HB3 LYS 95 far 0 73 0 - 9.8-12.1 QD2 LEU 119 - HB2 LYS 95 far 0 71 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 9330 from cnoeabs.peaks (8.66, 2.41, 32.16 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: H SER 60 + HB3 PRO 58 OK 100 100 100 100 2.2-4.2 9338/2.3=83, 6736/4.3=70...(16) Violated in 0 structures by 0.00 A. Peak 9331 from cnoeabs.peaks (7.44, 2.41, 32.16 ppm; 5.38 A): 2 out of 3 assignments used, quality = 0.99: H LEU 62 + HB3 PRO 58 OK 96 100 100 96 4.8-6.5 9333/1.8=50, 6792/2.3=38...(11) H GLN 61 + HB3 PRO 58 OK 85 87 100 98 3.3-5.5 10981/1.8=72...(11) HE22 GLN 104 - HB3 PRO 58 far 0 97 0 - 9.3-14.4 Violated in 0 structures by 0.00 A. Peak 9332 from cnoeabs.peaks (8.65, 1.95, 32.16 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.84: H SER 60 + HB2 PRO 58 OK 84 85 100 100 2.1-3.9 9330/1.8=64, 9338/2.3=62...(15) Violated in 0 structures by 0.00 A. Peak 9333 from cnoeabs.peaks (7.44, 1.95, 32.16 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.98: H LEU 62 + HB2 PRO 58 OK 90 100 100 91 4.3-6.0 6792/2.3=33, 9331/1.8=32...(14) H GLN 61 + HB2 PRO 58 OK 82 87 100 94 2.9-4.7 4.6/9332=44, 10981=41...(13) HE22 GLN 104 - HB2 PRO 58 far 0 97 0 - 7.9-13.1 Violated in 0 structures by 0.00 A. Peak 9334 from cnoeabs.peaks (8.65, 4.45, 62.57 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.97: H SER 60 + HA PRO 58 OK 97 97 100 100 3.9-4.4 9338=94, 6721/6709=88...(18) Violated in 0 structures by 0.00 A. Peak 9354 from cnoeabs.peaks (0.91, 2.62, 38.37 ppm; 5.12 A): 2 out of 9 assignments used, quality = 1.00: QG2 VAL 63 + HB2 ASN 59 OK 100 100 100 100 3.3-4.9 10967=100, 10968/1.8=55...(19) QD1 LEU 62 + HB2 ASN 59 OK 100 100 100 100 4.0-5.9 10947=96, 9388/3.0=89...(31) QG2 VAL 112 - HB2 ASN 59 poor 16 93 50 35 2.0-12.9 11548/9353=23...(4) QG1 VAL 118 - HB2 ASN 59 far 15 97 15 - 6.4-12.5 QD2 LEU 123 - HB2 ASN 59 far 0 71 0 - 8.1-13.4 QD1 LEU 123 - HB2 ASN 59 far 0 87 0 - 8.6-14.9 QG2 VAL 20 - HB2 ASN 59 far 0 87 0 - 9.0-29.6 QD1 LEU 22 - HB2 ASN 59 far 0 92 0 - 9.1-29.9 QD2 LEU 48 - HB2 ASN 59 far 0 100 0 - 9.7-16.6 Violated in 0 structures by 0.00 A. Peak 9355 from cnoeabs.peaks (0.77, 2.62, 38.37 ppm; 4.83 A): 3 out of 7 assignments used, quality = 0.99: QD1 LEU 103 + HB2 ASN 59 OK 95 95 100 100 3.8-5.7 11833=91, 11834/1.8=84...(17) QG1 VAL 63 + HB2 ASN 59 OK 70 93 75 100 5.1-6.9 2.1/10967=84, ~10968=36...(17) QD2 LEU 103 + HB2 ASN 59 OK 63 63 100 100 3.9-6.0 2.1/11833=85, ~11834=65...(18) QD2 LEU 122 - HB2 ASN 59 far 0 87 0 - 7.2-11.9 QD1 LEU 53 - HB2 ASN 59 far 0 71 0 - 8.2-13.6 QD1 ILE 32 - HB2 ASN 59 far 0 99 0 - 8.5-17.6 QD2 LEU 49 - HB2 ASN 59 far 0 63 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 9356 from cnoeabs.peaks (1.41, 2.87, 38.37 ppm; 5.89 A): 2 out of 9 assignments used, quality = 0.68: QB ALA 109 + HB3 ASN 59 OK 55 81 70 98 1.9-12.0 9353/1.8=64...(10) QB ALA 108 + HB3 ASN 59 OK 27 71 55 70 2.1-11.8 9341/3.5=31, 9353/1.8=25...(7) HG2 LYS 26 - HB3 ASN 59 far 4 76 5 - 7.3-23.4 QB ALA 28 - HB3 ASN 59 far 3 68 5 - 5.7-17.9 QB ALA 110 - HB3 ASN 59 lone 2 65 40 7 3.4-13.3 11548/9357=2, 9346/3.5=2 QB ALA 16 - HB3 ASN 59 far 0 100 0 - 7.9-33.2 QB ALA 29 - HB3 ASN 59 far 0 60 0 - 8.1-14.9 HG3 LYS 26 - HB3 ASN 59 far 0 63 0 - 8.4-23.9 QB ALA 15 - HB3 ASN 59 far 0 65 0 - 8.6-36.3 Violated in 9 structures by 1.10 A. Peak 9357 from cnoeabs.peaks (0.91, 2.87, 38.37 ppm; 4.81 A): 2 out of 11 assignments used, quality = 1.00: QD1 LEU 62 + HB3 ASN 59 OK 100 100 100 100 3.1-5.6 9388/3.0=83...(31) QG2 VAL 63 + HB3 ASN 59 OK 100 100 100 100 1.9-4.0 10967/1.8=87, 10968=45...(20) QG1 VAL 118 - HB3 ASN 59 poor 19 93 35 57 5.0-11.4 11612/11834=21...(8) QG2 VAL 112 - HB3 ASN 59 poor 18 97 50 37 2.9-12.7 11496/9356=27...(4) QD1 LEU 119 - HB3 ASN 59 poor 13 63 50 41 3.2-8.9 ~10700=9, ~9355=9...(9) QD2 LEU 123 - HB3 ASN 59 far 0 60 0 - 7.2-12.4 QD1 LEU 123 - HB3 ASN 59 far 0 93 0 - 8.0-13.9 QD2 LEU 48 - HB3 ASN 59 far 0 100 0 - 9.1-16.4 QD1 LEU 22 - HB3 ASN 59 far 0 85 0 - 9.6-29.7 QD1 LEU 49 - HB3 ASN 59 far 0 100 0 - 9.8-12.6 QD1 LEU 48 - HB3 ASN 59 far 0 97 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 9358 from cnoeabs.peaks (0.91, 4.33, 38.37 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9359 from cnoeabs.peaks (1.40, 4.33, 56.25 ppm; 3.97 A): 1 out of 31 assignments used, quality = 0.77: HG2 LYS 24 + HA LYS 24 OK 77 77 100 100 2.0-4.2 4.1=90, 1.8/524=86...(32) QB ALA 109 - HA ASN 59 poor 20 98 20 - 3.7-12.6 QB ALA 110 - HA ASN 59 far 14 92 15 - 3.5-14.4 QB ALA 28 - HA LYS 24 far 13 84 15 - 1.8-11.7 HG3 LYS 31 - HA LYS 24 far 9 92 10 - 3.7-16.5 QB ALA 108 - HA ASN 59 poor 9 95 25 39 3.8-12.4 9341/4.4=11, 9353/3.0=10...(6) HG3 LYS 26 - HA LYS 24 far 8 81 10 - 3.3-9.6 QB ALA 108 - HA LYS 24 far 4 86 5 - 3.7-31.5 QB ALA 15 - HA LYS 24 far 4 83 5 - 4.8-16.2 QB ALA 29 - HA LYS 24 far 4 79 5 - 3.0-12.6 HG2 LYS 36 - HA LYS 24 far 4 79 5 - 4.9-24.6 QB ALA 34 - HA LYS 24 far 4 71 5 - 5.3-21.2 HG3 LYS 26 - HA ASP 47 far 2 43 5 - 3.8-25.9 QB ALA 109 - HA LYS 24 far 0 90 0 - 5.5-33.3 HG3 LYS 95 - HA LYS 24 far 0 87 0 - 5.9-34.3 QB ALA 16 - HA LYS 24 far 0 92 0 - 6.5-16.3 QB ALA 29 - HA ASP 47 far 0 41 0 - 6.7-17.8 QB ALA 28 - HA ASN 59 far 0 93 0 - 7.2-18.5 HG2 LYS 95 - HA LYS 24 far 0 89 0 - 7.2-34.2 QB ALA 16 - HA ASN 59 far 0 99 0 - 7.5-31.8 QB ALA 15 - HA ASP 47 far 0 44 0 - 7.5-31.1 QB ALA 29 - HA ASN 59 far 0 89 0 - 7.5-14.4 HB3 LEU 100 - HA ASN 59 far 0 87 0 - 7.6-10.0 HG3 LYS 26 - HA ASN 59 far 0 90 0 - 7.9-22.8 QB ALA 110 - HA LYS 24 far 0 83 0 - 8.2-36.4 QB ALA 28 - HA ASP 47 far 0 45 0 - 8.3-20.8 HB2 LEU 42 - HA LYS 24 far 0 75 0 - 8.7-28.4 HB2 LEU 42 - HA ASP 47 far 0 39 0 - 9.2-11.3 QB ALA 15 - HA ASN 59 far 0 92 0 - 9.5-35.5 QB ALA 16 - HA ASP 47 far 0 51 0 - 9.7-29.6 HG LEU 96 - HA LYS 24 far 0 94 0 - 10.0-28.3 Violated in 2 structures by 0.02 A. Peak 9360 from cnoeabs.peaks (1.15, 4.33, 56.25 ppm; 4.81 A): 1 out of 12 assignments used, quality = 1.00: HB3 LEU 62 + HA ASN 59 OK 100 100 100 100 1.8-3.1 1.8/1880=99, 3.2/9388=81...(27) QG2 THR 18 - HA LYS 24 poor 14 69 20 - 2.4-12.9 QG2 THR 115 - HA ASN 59 poor 11 92 35 36 5.2-11.5 10195/9362=17...(3) HG12 ILE 32 - HA LYS 24 far 9 86 10 - 4.5-15.8 QB ALA 41 - HA LYS 24 far 7 71 10 - 4.3-23.3 HG3 LYS 39 - HA LYS 24 far 0 92 0 - 7.0-33.4 QG2 THR 18 - HA ASN 59 far 0 78 0 - 7.7-33.1 QG2 VAL 132 - HA ASP 47 far 0 48 0 - 8.5-12.3 QG2 THR 18 - HA ASP 47 far 0 35 0 - 8.5-33.1 HG2 LYS 39 - HA LYS 24 far 0 83 0 - 8.8-32.5 QB ALA 41 - HA ASP 47 far 0 36 0 - 9.2-10.1 QG1 VAL 132 - HA ASP 47 far 0 39 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 9361 from cnoeabs.peaks (0.92, 4.33, 56.25 ppm; 3.48 A): 4 out of 31 assignments used, quality = 1.00: QD1 LEU 62 + HA ASN 59 OK 99 100 100 99 1.9-3.7 9388=80, 3.2/1880=51...(21) QG2 VAL 63 + HA ASN 59 OK 94 99 100 95 2.4-4.3 10967/3.0=38...(26) QD1 LEU 48 + HA ASP 47 OK 36 51 90 77 4.2-7.1 1528/3.6=31, 9180/2.9=14...(13) QD1 LEU 49 + HA ASP 47 OK 34 52 95 70 3.7-5.5 6587/3.6=12...(16) QD2 LEU 48 - HA ASP 47 poor 15 49 45 68 4.6-6.1 1520/3.6=15, ~10021=12...(12) QD1 LEU 119 - HA ASN 59 poor 13 73 50 34 3.5-9.1 11624/1880=10...(10) QG1 VAL 20 - HA LYS 24 far 9 89 10 - 2.9-10.7 QG2 VAL 20 - HA LYS 24 far 9 59 15 - 3.1-8.6 QG2 VAL 112 - HA ASN 59 far 5 99 5 - 4.5-12.9 QG1 VAL 118 - HA LYS 24 far 4 77 5 - 4.5-25.3 QD1 LEU 22 - HA LYS 24 far 3 66 5 - 4.9-8.4 QD1 LEU 123 - HA ASP 47 far 0 49 0 - 5.2-8.2 QG1 VAL 118 - HA ASN 59 far 0 87 0 - 5.4-11.6 QD2 LEU 48 - HA LYS 24 far 0 90 0 - 5.8-22.7 QG1 VAL 20 - HA ASP 47 far 0 49 0 - 5.9-27.7 QG2 ILE 37 - HA LYS 24 far 0 77 0 - 6.0-22.8 QD1 LEU 48 - HA LYS 24 far 0 92 0 - 6.0-22.2 QD1 LEU 123 - HA ASN 59 far 0 97 0 - 6.6-13.0 QD2 LEU 48 - HA ASN 59 far 0 98 0 - 7.3-14.3 QD1 LEU 119 - HA LYS 24 far 0 64 0 - 7.7-27.1 QG2 VAL 20 - HA ASP 47 far 0 29 0 - 7.7-27.9 QD1 LEU 49 - HA ASN 59 far 0 100 0 - 8.4-10.7 QD1 LEU 22 - HA ASN 59 far 0 76 0 - 8.4-28.1 QD1 LEU 48 - HA ASN 59 far 0 99 0 - 8.5-15.4 QG2 VAL 20 - HA ASN 59 far 0 68 0 - 8.9-28.3 QG2 ILE 37 - HA ASP 47 far 0 40 0 - 9.0-14.5 QD1 LEU 49 - HA LYS 24 far 0 93 0 - 9.2-22.2 QG2 VAL 63 - HA LYS 24 far 0 92 0 - 9.3-24.0 QD1 LEU 62 - HA ASP 47 far 0 52 0 - 9.5-12.8 QD1 LEU 22 - HA ASP 47 far 0 33 0 - 9.7-26.1 QG1 VAL 20 - HA ASN 59 far 0 97 0 - 10.0-30.7 Violated in 0 structures by 0.00 A. Peak 9362 from cnoeabs.peaks (0.75, 4.33, 56.25 ppm; 5.26 A): 1 out of 12 assignments used, quality = 0.99: QD2 LEU 103 + HA ASN 59 OK 99 99 100 100 3.4-4.7 10350=94, 11829/3.0=80...(29) QD2 LEU 43 - HA ASP 47 poor 14 51 40 69 4.5-7.9 9176/10901=45, 11087=21...(5) QD1 ILE 32 - HA LYS 24 far 8 54 15 - 2.5-12.8 QD1 ILE 32 - HA ASP 47 far 0 27 0 - 7.7-15.3 QD1 ILE 32 - HA ASN 59 far 0 63 0 - 7.8-16.3 QD2 LEU 96 - HA ASP 47 far 0 53 0 - 8.4-13.8 QD1 LEU 96 - HA LYS 24 far 0 66 0 - 9.0-22.3 QD1 LEU 96 - HA ASP 47 far 0 33 0 - 9.0-13.0 QG1 VAL 93 - HA LYS 24 far 0 94 0 - 9.2-24.1 QD2 LEU 43 - HA LYS 24 far 0 92 0 - 9.6-25.5 HG12 ILE 129 - HA ASP 47 far 0 53 0 - 9.8-13.8 QD1 LEU 96 - HA ASN 59 far 0 76 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 9363 from cnoeabs.peaks (0.77, 2.87, 38.37 ppm; 5.44 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 103 + HB3 ASN 59 OK 98 98 100 100 2.5-5.2 11834=95, 11833/1.8=95...(22) QG1 VAL 63 + HB3 ASN 59 OK 97 97 100 100 4.2-6.4 ~10967=75, 2.1/10968=43...(18) QD2 LEU 119 + HB3 ASN 59 OK 25 63 70 56 1.9-10.7 9355/1.8=13...(15) QD2 LEU 122 - HB3 ASN 59 poor 5 93 25 21 5.7-10.5 9259/3.0=12...(5) QD1 LEU 53 - HB3 ASN 59 far 0 81 0 - 7.2-13.6 QD1 ILE 32 - HB3 ASN 59 far 0 100 0 - 8.0-16.2 QD2 LEU 49 - HB3 ASN 59 far 0 73 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 9364 from cnoeabs.peaks (1.56, 2.87, 38.37 ppm; 6.45 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 103 + HB3 ASN 59 OK 100 100 100 100 3.8-5.0 2.1/11834=99...(21) HB2 LEU 103 + HB3 ASN 59 OK 85 85 100 100 6.1-7.6 3.2/11834=96, ~11833=81...(20) HB2 LEU 119 - HB3 ASN 59 poor 19 95 40 49 5.4-11.4 ~10700=13, ~9355=12...(9) HG LEU 123 - HB3 ASN 59 far 5 98 5 - 7.8-14.7 Violated in 0 structures by 0.00 A. Peak 9366 from cnoeabs.peaks (7.14, 4.01, 60.84 ppm; 6.59 A): 0 out of 1 assignment used, quality = 0.00: HD2 HIS 67 - HA SER 60 far 15 98 15 - 7.3-12.0 Violated in 20 structures by 4.22 A. Peak 9367 from cnoeabs.peaks (6.81, 4.01, 60.84 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9377 from cnoeabs.peaks (0.94, 2.28, 33.67 ppm; 4.06 A): 1 out of 9 assignments used, quality = 1.00: QG1 VAL 57 + HG2 GLN 61 OK 100 100 100 100 2.0-4.1 2.1/10938=73...(24) QD2 LEU 53 - HG2 GLN 61 poor 16 81 35 57 3.3-11.2 9256=43, 10937/1.8=13...(5) QD1 LEU 48 - HG2 GLN 61 far 0 78 0 - 5.8-11.5 QD1 LEU 123 - HG2 GLN 61 far 0 87 0 - 6.0-13.2 QD1 LEU 119 - HG2 GLN 61 far 0 100 0 - 6.7-13.2 QG1 VAL 112 - HG2 GLN 61 far 0 78 0 - 8.0-16.2 QG2 VAL 112 - HG2 GLN 61 far 0 78 0 - 8.1-17.8 QG1 VAL 126 - HG2 GLN 61 far 0 97 0 - 9.1-12.1 QG2 VAL 126 - HG2 GLN 61 far 0 87 0 - 9.3-12.6 Violated in 1 structures by 0.00 A. Peak 9378 from cnoeabs.peaks (0.87, 2.10, 28.56 ppm; 3.97 A): 2 out of 19 assignments used, quality = 0.59: QG2 VAL 57 + HB2 GLN 61 OK 38 95 40 100 4.4-6.4 10936/3.0=60...(29) QG2 VAL 57 + HB3 GLN 61 OK 33 96 35 100 4.8-6.4 10936/3.0=60...(29) QD1 LEU 98 - HB2 GLU 102 poor 14 55 25 - 3.9-8.3 QG1 VAL 118 - HB2 GLU 102 far 5 36 15 - 5.1-8.1 QG2 VAL 20 - HB3 GLN 61 far 4 89 5 - 5.4-23.8 QG2 VAL 20 - HB2 GLN 61 far 4 88 5 - 3.9-23.3 QD1 LEU 22 - HB3 GLN 61 far 4 83 5 - 4.1-26.0 QD1 LEU 22 - HB2 GLN 61 far 4 82 5 - 5.0-25.1 QD2 LEU 98 - HB2 GLU 102 far 3 61 5 - 5.1-7.3 QG2 VAL 20 - HB2 GLU 102 far 2 48 5 - 4.3-33.9 QG2 ILE 32 - HB2 GLN 61 far 0 82 0 - 5.8-16.6 QD2 LEU 123 - HB2 GLN 61 far 0 97 0 - 6.3-11.1 QD2 LEU 123 - HB3 GLN 61 far 0 97 0 - 6.9-12.2 QG2 ILE 32 - HB3 GLN 61 far 0 83 0 - 7.0-17.3 QD2 LEU 70 - HB2 GLU 102 far 0 47 0 - 7.0-11.0 QD2 LEU 69 - HB2 GLN 61 far 0 99 0 - 8.7-12.8 QG1 VAL 118 - HB2 GLN 61 far 0 70 0 - 8.9-16.2 QD2 LEU 69 - HB3 GLN 61 far 0 100 0 - 9.3-14.1 QG1 VAL 118 - HB3 GLN 61 far 0 71 0 - 9.4-15.9 Violated in 20 structures by 0.95 A. Peak 9379 from cnoeabs.peaks (0.89, 4.28, 57.87 ppm; 4.53 A): 0 out of 10 assignments used, quality = 0.00: QG2 VAL 63 - HA GLN 61 far 13 89 15 - 5.8-6.8 QD1 LEU 62 - HA GLN 61 far 8 83 10 - 5.6-7.1 QG2 VAL 20 - HA GLN 61 far 5 100 5 - 5.1-23.2 QD1 LEU 22 - HA GLN 61 far 5 100 5 - 5.7-24.2 QD2 LEU 48 - HA GLN 61 far 5 92 5 - 4.9-11.6 QD2 LEU 123 - HA GLN 61 far 0 98 0 - 6.7-11.6 QG1 VAL 20 - HA GLN 61 far 0 93 0 - 7.3-25.6 QD2 LEU 69 - HA GLN 61 far 0 73 0 - 8.0-12.6 QD1 LEU 49 - HA GLN 61 far 0 85 0 - 8.5-10.6 QG1 VAL 118 - HA GLN 61 far 0 99 0 - 9.0-15.3 Violated in 19 structures by 0.68 A. Peak 9383 from cnoeabs.peaks (7.94, 3.85, 57.95 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.90: H ASP 64 + HA LEU 62 OK 90 90 100 100 4.2-5.1 6815/3.6=90, 4.2/1969=77...(9) HD22 ASN 116 - HA LEU 62 poor 14 68 60 34 6.5-19.6 10223/10994=14...(3) H SER 124 - HA LEU 62 far 10 100 10 - 8.0-13.1 H VAL 112 - HA LEU 62 far 0 99 0 - 8.9-16.6 Violated in 0 structures by 0.00 A. Peak 9384 from cnoeabs.peaks (8.89, 0.68, 23.19 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.98: H GLY 66 + QD2 LEU 62 OK 97 99 100 97 2.5-4.0 9435=48, 6847/3.9=30...(22) H GLY 66 + QD2 LEU 100 OK 50 65 80 97 2.9-7.1 10045/2.1=43, 9435=38...(21) H ASN 59 - QD2 LEU 62 far 0 100 0 - 6.1-7.3 H ASN 59 - QD2 LEU 100 far 0 66 0 - 7.2-12.0 Violated in 0 structures by 0.00 A. Peak 9385 from cnoeabs.peaks (8.91, 0.91, 26.02 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.98: H GLY 66 + QD1 LEU 62 OK 92 93 100 98 3.6-6.3 9435/2.1=48, 6847/4.1=48...(22) H ASN 59 + QD1 LEU 62 OK 78 78 100 100 4.4-6.0 2.9/9388=94...(30) Violated in 0 structures by 0.00 A. Peak 9386 from cnoeabs.peaks (3.37, 0.68, 23.19 ppm; 3.34 A): 2 out of 5 assignments used, quality = 0.99: HA VAL 63 + QD2 LEU 62 OK 97 100 100 97 2.7-4.2 9397=44, 2017/2.1=28...(33) HA VAL 63 + QD2 LEU 100 OK 52 66 80 98 1.9-5.8 10958/2.1=36, 9397=36...(31) HB2 HIS 67 - QD2 LEU 100 poor 17 41 40 - 3.3-6.0 HB2 HIS 67 - QD2 LEU 62 far 0 73 0 - 5.8-8.2 HB3 TYR 72 - QD2 LEU 100 far 0 38 0 - 9.1-12.5 Violated in 3 structures by 0.03 A. Peak 9387 from cnoeabs.peaks (4.32, 0.68, 23.19 ppm; 5.08 A): 2 out of 12 assignments used, quality = 0.94: HA ASN 59 + QD2 LEU 62 OK 92 92 100 100 3.7-5.1 9388/2.1=89, 1880/3.1=78...(22) HA ASN 59 + QD2 LEU 100 OK 32 56 75 77 5.0-9.9 9388/2010=29...(10) HA ASP 47 - QD2 LEU 62 far 0 73 0 - 7.4-10.3 HA LEU 69 - QD2 LEU 100 far 0 59 0 - 7.9-9.3 HA LEU 69 - QD2 LEU 62 far 0 96 0 - 8.1-9.5 HA SER 74 - QD2 LEU 100 far 0 35 0 - 8.2-12.2 HA THR 25 - QD2 LEU 62 far 0 63 0 - 8.6-18.1 HA ALA 21 - QD2 LEU 62 far 0 60 0 - 9.0-26.5 HA THR 25 - QD2 LEU 100 far 0 35 0 - 9.6-19.1 HA THR 18 - QD2 LEU 62 far 0 65 0 - 9.6-30.1 HA LYS 24 - QD2 LEU 100 far 0 54 0 - 9.6-22.9 HA LYS 24 - QD2 LEU 62 far 0 90 0 - 9.7-21.8 Violated in 0 structures by 0.00 A. Peak 9388 from cnoeabs.peaks (4.33, 0.91, 26.02 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.99: HA ASN 59 + QD1 LEU 62 OK 99 100 100 99 1.9-3.7 1880/3.2=58...(22) HA CYS 125 - QD1 LEU 62 far 0 81 0 - 9.5-12.5 HA ASP 47 - QD1 LEU 62 far 0 98 0 - 9.5-12.8 HA LEU 69 - QD1 LEU 62 far 0 100 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 9394 from cnoeabs.peaks (1.41, 0.91, 26.02 ppm; 4.31 A): 0 out of 7 assignments used, quality = 0.00: QB ALA 109 - QD1 LEU 62 poor 14 71 20 - 5.6-9.6 QB ALA 108 - QD1 LEU 62 far 6 60 10 - 3.9-9.4 HG2 LYS 26 - QD1 LEU 62 far 0 85 0 - 7.1-18.2 HG LEU 96 - QD1 LEU 62 far 0 90 0 - 7.4-11.8 QB ALA 16 - QD1 LEU 62 far 0 98 0 - 8.1-26.3 HG13 ILE 32 - QD1 LEU 62 far 0 71 0 - 9.2-15.0 QB ALA 92 - QD1 LEU 62 far 0 90 0 - 9.6-12.3 Violated in 18 structures by 1.77 A. Peak 9395 from cnoeabs.peaks (0.77, 2.06, 42.10 ppm; 4.33 A): 2 out of 9 assignments used, quality = 0.49: QD1 LEU 53 + HB2 LEU 62 OK 29 76 40 96 3.9-9.0 ~10338=45, ~10338=42...(15) QD1 LEU 103 + HB2 LEU 62 OK 28 97 30 97 5.0-8.5 ~11823=51, ~11721=38...(25) QD2 LEU 122 - HB2 LEU 62 poor 19 90 35 59 4.4-9.0 ~10992=7, 9259/1880=7...(23) QG1 VAL 63 - HB2 LEU 62 far 5 96 5 - 5.2-6.8 QD2 LEU 49 - HB2 LEU 62 far 3 68 5 - 5.7-9.1 QD1 ILE 32 - HB2 LEU 62 far 0 99 0 - 7.0-15.4 QD1 LEU 96 - HB2 LEU 62 far 0 100 0 - 8.5-12.1 QD1 ILE 37 - HB2 LEU 62 far 0 99 0 - 9.3-18.7 QD2 LEU 96 - HB2 LEU 62 far 0 78 0 - 10.0-13.2 Violated in 16 structures by 1.26 A. Peak 9397 from cnoeabs.peaks (0.68, 3.37, 66.55 ppm; 3.60 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 62 + HA VAL 63 OK 99 100 100 99 2.7-4.2 9386=65, 2.1/2017=31...(33) QD2 LEU 100 + HA VAL 63 OK 79 100 80 99 1.9-5.8 2.1/10958=44...(32) Violated in 1 structures by 0.01 A. Peak 9399 from cnoeabs.peaks (1.78, 3.37, 66.55 ppm; 5.56 A): 2 out of 5 assignments used, quality = 1.00: HG LEU 100 + HA VAL 63 OK 100 100 100 100 3.1-4.8 2.1/10958=93, ~10973=65...(25) HB3 LEU 103 + HA VAL 63 OK 92 92 100 100 4.6-6.6 3.1/11832=91...(39) HB3 LEU 122 - HA VAL 63 poor 19 90 30 72 5.0-9.4 3269/11009=18, ~10972=15...(16) HB2 LYS 26 - HA VAL 63 far 0 63 0 - 7.2-18.3 HB2 LEU 48 - HA VAL 63 far 0 100 0 - 8.7-15.0 Violated in 0 structures by 0.00 A. Peak 9400 from cnoeabs.peaks (2.38, 0.78, 21.57 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: HG2 GLN 104 + QG1 VAL 63 OK 100 100 100 100 1.9-4.0 11521/2.1=89...(24) HG2 GLN 27 - QG1 VAL 63 poor 13 63 20 - 1.8-17.6 HG3 GLN 27 - QG1 VAL 63 far 12 78 15 - 2.5-16.4 HG2 GLU 102 - QG1 VAL 63 far 0 78 0 - 7.9-11.0 Violated in 0 structures by 0.00 A. Peak 9401 from cnoeabs.peaks (2.46, 0.78, 21.57 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.96: HG3 GLN 104 + QG1 VAL 63 OK 96 96 100 100 1.9-4.5 1.8/9400=95...(22) HG2 MET 11 - QG1 VAL 63 far 0 100 0 - 8.8-39.0 Violated in 0 structures by 0.00 A. Peak 9405 from cnoeabs.peaks (7.42, 0.78, 21.57 ppm; 4.54 A): 2 out of 3 assignments used, quality = 1.00: HE22 GLN 104 + QG1 VAL 63 OK 100 100 100 100 1.8-4.5 10077/2.1=76, 10078=72...(24) H LEU 62 + QG1 VAL 63 OK 84 97 90 96 5.4-6.1 4.2/2027=57, 10993=39...(15) H GLN 61 - QG1 VAL 63 far 10 100 10 - 5.7-6.8 Violated in 0 structures by 0.00 A. Peak 9406 from cnoeabs.peaks (7.14, 0.78, 21.57 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.59: HD2 HIS 67 + QG1 VAL 63 OK 59 98 65 93 1.9-5.6 10982/2.1=40...(9) QD TYR 72 - QG1 VAL 63 far 0 100 0 - 9.4-10.4 Violated in 17 structures by 1.18 A. Peak 9407 from cnoeabs.peaks (7.43, 0.91, 22.96 ppm; 4.59 A): 3 out of 6 assignments used, quality = 1.00: HE22 GLN 104 + QG2 VAL 63 OK 100 100 100 100 1.9-4.7 10077=98, 1.7/10073=81...(26) H LEU 62 + QG2 VAL 63 OK 98 99 100 99 4.3-5.3 6797/3.7=63...(17) H GLN 61 + QG2 VAL 63 OK 77 99 85 91 5.1-6.3 6762/3.7=34, 3.9/6796=30...(16) H LEU 62 - QD1 LEU 49 far 0 56 0 - 7.1-9.6 QE PHE 89 - QD1 LEU 49 far 0 33 0 - 8.3-10.4 H GLN 61 - QD1 LEU 49 far 0 57 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 9408 from cnoeabs.peaks (8.57, 0.78, 21.57 ppm; 4.14 A): 0 out of 1 assignment used, quality = 0.00: H GLY 114 - QG1 VAL 63 far 0 100 0 - 9.3-13.5 Violated in 20 structures by 6.95 A. Peak 9411 from cnoeabs.peaks (0.78, 4.46, 57.70 ppm; 4.46 A): 2 out of 10 assignments used, quality = 1.00: QG1 VAL 63 + HA ASP 64 OK 100 100 100 100 2.7-3.7 10980=100, 6825/2.9=65...(25) QD1 ILE 32 + HA ASP 64 OK 32 99 45 73 2.5-11.7 10846/3.0=61...(8) QD1 LEU 122 - HA ASP 64 far 4 78 5 - 5.0-10.2 QD1 ILE 37 - HA ASP 64 far 0 99 0 - 6.2-13.9 QD2 LEU 122 - HA ASP 64 far 0 100 0 - 6.2-9.7 QD1 LEU 103 - HA ASP 64 far 0 100 0 - 6.4-9.9 QD1 LEU 53 - HA ASP 64 far 0 98 0 - 6.8-14.1 QD2 LEU 49 - HA ASP 64 far 0 96 0 - 6.9-8.4 QD2 LEU 119 - HA ASP 64 far 0 90 0 - 7.8-15.4 QD1 LEU 96 - HA ASP 64 far 0 95 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 9412 from cnoeabs.peaks (0.89, 4.46, 57.70 ppm; 5.01 A): 2 out of 11 assignments used, quality = 0.87: QG2 VAL 63 + HA ASP 64 OK 83 83 100 100 5.1-5.4 2.1/10980=93, 10981=65...(20) QD1 LEU 62 + HA ASP 64 OK 25 76 45 74 5.9-8.7 2017/4.9=23...(8) QD2 LEU 69 - HA ASP 64 far 4 81 5 - 6.4-9.9 QD2 LEU 123 - HA ASP 64 far 0 99 0 - 7.1-11.5 QG2 VAL 20 - HA ASP 64 far 0 100 0 - 7.3-22.8 QD2 LEU 48 - HA ASP 64 far 0 87 0 - 7.8-11.8 QG1 VAL 118 - HA ASP 64 far 0 98 0 - 7.9-13.7 QD1 LEU 49 - HA ASP 64 far 0 78 0 - 8.9-10.5 QG1 VAL 20 - HA ASP 64 far 0 89 0 - 9.2-25.3 QG2 VAL 57 - HA ASP 64 far 0 63 0 - 9.3-11.0 QD1 LEU 22 - HA ASP 64 far 0 100 0 - 9.3-22.5 Violated in 17 structures by 0.15 A. Peak 9413 from cnoeabs.peaks (0.78, 2.75, 39.83 ppm; 5.35 A): 3 out of 15 assignments used, quality = 1.00: QG1 VAL 63 + HB2 ASP 64 OK 100 100 100 100 4.2-5.5 10980/3.0=88...(18) QD1 ILE 32 + HB2 ASP 64 OK 34 100 35 97 1.9-13.9 10846=95, 9411/3.0=20...(6) QD1 ILE 37 + HB3 ASP 35 OK 25 66 40 93 5.9-8.4 10807/961=48...(15) QD1 ILE 32 - HB3 ASP 35 poor 13 65 20 - 5.6-10.3 QD1 LEU 122 - HB2 ASP 64 far 9 63 15 - 5.9-10.6 QD1 LEU 53 - HB2 ASP 64 far 9 92 10 - 6.4-13.5 QD1 ILE 37 - HB2 ASP 64 far 5 100 5 - 5.1-15.0 QD2 LEU 122 - HB2 ASP 64 far 5 99 5 - 6.8-10.5 QD2 LEU 49 - HB2 ASP 64 poor 5 87 25 22 6.6-9.0 9416/4.6=14, 9468/9456=4 QD1 ILE 32 - HB3 ASP 78 far 4 83 5 - 5.8-20.0 QG1 VAL 93 - HB3 ASP 78 far 0 44 0 - 7.1-9.0 QD2 LEU 119 - HB2 ASP 64 far 0 78 0 - 7.1-15.8 QD1 ILE 37 - HB3 ASP 78 far 0 84 0 - 7.2-16.8 QD1 LEU 103 - HB2 ASP 64 far 0 100 0 - 7.9-10.7 QD1 LEU 96 - HB3 ASP 78 far 0 81 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 9414 from cnoeabs.peaks (0.90, 2.75, 39.83 ppm; 6.80 A): 3 out of 19 assignments used, quality = 0.99: QG2 VAL 63 + HB2 ASP 64 OK 96 96 100 100 5.5-6.5 4.4/2048=96, ~10969=90...(17) QD1 LEU 62 + HB2 ASP 64 OK 68 92 95 78 5.8-8.5 9412/3.0=24...(7) QD2 LEU 48 + HB2 ASP 64 OK 22 97 75 30 5.9-10.6 9415/4.6=17...(3) QG2 VAL 20 - HB3 ASP 35 poor 16 63 25 - 4.1-26.4 QG1 VAL 20 - HB3 ASP 35 poor 15 62 25 - 4.3-27.0 QD2 LEU 69 - HB2 ASP 64 poor 15 60 25 - 6.5-11.0 QD2 LEU 48 - HB3 ASP 35 far 9 61 15 - 6.7-18.4 QD1 LEU 48 - HB2 ASP 64 lone 7 71 60 16 6.5-12.4 9415/4.6=7, 9418/9429=6 QD1 LEU 22 - HB3 ASP 35 far 6 65 10 - 6.2-28.1 QD2 LEU 123 - HB2 ASP 64 lone 6 93 40 15 6.6-11.4 9415/4.6=7, 11422/9413=4 QD1 LEU 22 - HB2 ASP 64 far 5 100 5 - 7.8-22.9 QG2 VAL 20 - HB2 ASP 64 far 5 99 5 - 5.7-22.8 QG1 VAL 20 - HB2 ASP 64 far 5 98 5 - 7.9-25.2 QD1 LEU 48 - HB3 ASP 35 far 0 39 0 - 8.3-17.1 QD1 LEU 123 - HB2 ASP 64 far 0 60 0 - 8.3-14.0 QD1 LEU 49 - HB2 ASP 64 far 0 93 0 - 8.3-10.2 QG1 VAL 118 - HB2 ASP 64 far 0 100 0 - 8.6-14.8 QD2 LEU 69 - HB3 ASP 35 far 0 32 0 - 8.7-15.1 QG2 VAL 112 - HB2 ASP 64 far 0 71 0 - 8.8-19.3 Violated in 0 structures by 0.00 A. Peak 9418 from cnoeabs.peaks (0.91, 3.97, 66.53 ppm; 4.95 A): 3 out of 12 assignments used, quality = 0.95: QD2 LEU 48 + HA THR 65 OK 85 100 85 100 4.1-7.8 10957/2074=69, ~9441=51...(31) QD1 LEU 48 + HA THR 65 OK 53 89 60 100 3.5-9.9 ~9441=51, ~11370=45...(31) QD1 LEU 49 + HA THR 65 OK 30 99 30 100 5.6-7.8 10966/3.2=85, ~11025=44...(22) QD2 LEU 123 - HA THR 65 poor 20 78 25 - 4.7-9.6 QG2 ILE 37 - HA THR 65 poor 12 60 20 - 2.8-13.0 QG1 VAL 20 - HA THR 65 far 5 100 5 - 5.8-23.5 QG2 VAL 20 - HA THR 65 far 5 92 5 - 4.4-21.0 QD1 LEU 62 - HA THR 65 far 0 99 0 - 6.5-8.5 QD1 LEU 123 - HA THR 65 far 0 81 0 - 6.9-11.3 QG2 VAL 63 - HA THR 65 far 0 100 0 - 7.5-7.7 QG1 VAL 118 - HA THR 65 far 0 99 0 - 8.3-14.3 QD1 LEU 22 - HA THR 65 far 0 96 0 - 9.8-23.3 Violated in 6 structures by 0.13 A. Peak 9419 from cnoeabs.peaks (0.80, 3.97, 66.53 ppm; 6.47 A): 7 out of 11 assignments used, quality = 1.00: QD2 LEU 49 + HA THR 65 OK 100 100 100 100 3.3-5.4 ~10966=84, ~11025=68...(31) QG1 VAL 63 + HA THR 65 OK 93 93 100 100 6.1-6.7 10980/4.9=75, ~9427=71...(15) QD2 LEU 122 + HA THR 65 OK 76 97 85 92 6.1-8.9 ~11110=78, 9431/2074=14...(14) QD1 ILE 32 + HA THR 65 OK 60 83 90 80 1.7-11.4 9009/11023=32...(12) QD1 LEU 122 + HA THR 65 OK 55 97 60 94 4.9-9.8 11110/3.2=83...(12) QD1 LEU 53 + HA THR 65 OK 26 100 50 52 4.5-12.0 9431/2074=13, ~9442=13...(9) QD1 LEU 70 + HA THR 65 OK 21 78 60 44 6.6-9.1 9474/2064=20, 9448/4.9=9...(7) QD1 ILE 37 - HA THR 65 lone 4 87 25 19 2.7-11.8 9009/11023=7...(4) QD2 LEU 119 - HA THR 65 far 0 100 0 - 8.1-16.2 QD1 LEU 96 - HA THR 65 far 0 71 0 - 8.1-9.5 QD1 LEU 103 - HA THR 65 far 0 92 0 - 8.6-12.3 Violated in 0 structures by 0.00 A. Peak 9421 from cnoeabs.peaks (0.90, 4.07, 67.84 ppm; 4.28 A): 5 out of 11 assignments used, quality = 0.95: QD2 LEU 48 + HB THR 65 OK 70 99 70 100 3.0-8.4 10957/2.1=70, ~9441=49...(31) QD1 LEU 48 + HB THR 65 OK 48 81 60 100 3.4-10.0 ~9441=49, ~10957=46...(29) QD1 LEU 49 + HB THR 65 OK 44 97 45 100 3.9-7.3 10966/2.1=84, ~11025=43...(23) QD2 LEU 123 + HB THR 65 OK 33 87 45 83 2.7-8.2 11510/2.1=46, ~11640=16...(19) QD1 LEU 62 + HB THR 65 OK 22 97 25 92 4.7-7.5 4.1/1970=45, 2.1/9423=39...(13) QD1 LEU 123 - HB THR 65 far 7 71 10 - 5.0-10.8 QG1 VAL 20 - HB THR 65 far 5 100 5 - 4.8-25.3 QG2 VAL 20 - HB THR 65 far 5 97 5 - 4.0-22.9 QG2 VAL 63 - HB THR 65 far 0 99 0 - 6.4-7.8 QG1 VAL 118 - HB THR 65 far 0 100 0 - 6.9-14.2 QD1 LEU 22 - HB THR 65 far 0 99 0 - 8.4-23.5 Violated in 3 structures by 0.05 A. Peak 9422 from cnoeabs.peaks (0.79, 4.07, 67.84 ppm; 5.55 A): 5 out of 11 assignments used, quality = 1.00: QD2 LEU 49 + HB THR 65 OK 99 99 100 100 2.6-5.4 ~10966=83, ~11025=66...(31) QG1 VAL 63 + HB THR 65 OK 64 99 75 86 6.1-7.3 9416/6842=35, 11020=35...(10) QD1 LEU 122 + HB THR 65 OK 39 87 55 83 3.3-9.2 11110/2.1=60, ~9431=13...(15) QD2 LEU 122 + HB THR 65 OK 36 100 40 89 4.7-8.8 ~11110=74, 9431/2.1=15...(17) QD1 LEU 53 + HB THR 65 OK 26 100 45 58 2.2-11.0 9431/2.1=14, ~9442=12...(11) QD2 LEU 119 - HB THR 65 poor 17 96 35 51 6.2-15.4 10994/1970=37...(5) QD1 ILE 32 - HB THR 65 poor 9 96 40 25 2.4-13.3 9419/3.0=8, 9431/2.1=7...(5) QD1 LEU 70 - HB THR 65 far 9 57 15 - 6.7-9.7 QD1 ILE 37 - HB THR 65 far 5 97 5 - 4.8-13.8 QD1 LEU 103 - HB THR 65 far 0 99 0 - 7.5-12.3 QD1 LEU 96 - HB THR 65 far 0 89 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 9429 from cnoeabs.peaks (2.78, 3.97, 66.53 ppm; 6.26 A): 1 out of 1 assignment used, quality = 0.85: HB3 ASP 64 + HA THR 65 OK 85 85 100 100 4.0-5.6 6840/2.9=84...(10) Violated in 0 structures by 0.00 A. Peak 9430 from cnoeabs.peaks (0.91, 1.23, 22.77 ppm; 2.85 A): 4 out of 13 assignments used, quality = 0.98: QD1 LEU 49 + QG2 THR 65 OK 83 99 90 93 2.9-4.5 10966=39, 2.1/11025=30...(28) QD2 LEU 48 + QG2 THR 65 OK 73 100 75 97 2.0-5.4 10957=61, 2.1/9441=32...(25) QD1 LEU 48 + QG2 THR 65 OK 45 87 55 94 1.8-6.7 2.1/10957=41...(24) QD2 LEU 123 + QG2 THR 65 OK 32 81 60 65 2.0-6.6 11510=22, 2.1/11640=11...(18) QD1 LEU 62 - QG2 THR 65 poor 17 99 30 56 3.6-6.8 2.1/9432=20...(10) QD1 LEU 123 - QG2 THR 65 poor 16 78 20 - 3.5-7.6 QG1 VAL 20 - QG2 THR 65 far 5 100 5 - 3.0-19.6 QG2 VAL 20 - QG2 THR 65 far 5 93 5 - 2.5-17.6 QG1 VAL 118 - QG2 THR 65 far 0 99 0 - 5.0-10.7 QG2 VAL 63 - QG2 THR 65 far 0 100 0 - 5.2-7.3 QD1 LEU 22 - QG2 THR 65 far 0 97 0 - 8.1-18.9 QG2 VAL 112 - QG2 THR 65 far 0 87 0 - 9.8-15.4 QD2 LEU 98 - QG2 THR 65 far 0 60 0 - 9.9-13.8 Violated in 3 structures by 0.04 A. Peak 9431 from cnoeabs.peaks (0.78, 1.23, 22.77 ppm; 3.42 A): 3 out of 11 assignments used, quality = 0.94: QD2 LEU 49 + QG2 THR 65 OK 89 90 100 99 1.7-3.4 2.1/10966=50...(36) QD2 LEU 122 + QG2 THR 65 OK 22 99 45 50 4.4-6.9 2.1/11110=25...(16) QD1 LEU 53 + QG2 THR 65 OK 22 95 40 58 2.4-7.6 4.3/9250=10, 2.1/9442=9...(15) QD1 ILE 32 - QG2 THR 65 poor 10 100 25 42 3.5-10.3 9009/11016=14...(9) QD2 LEU 119 - QG2 THR 65 far 8 83 10 - 4.3-12.0 QD1 LEU 122 - QG2 THR 65 poor 8 68 35 34 2.7-7.4 11422/11510=6...(12) QD1 ILE 37 - QG2 THR 65 far 5 100 5 - 3.1-11.6 QG1 VAL 63 - QG2 THR 65 far 0 100 0 - 5.2-6.9 QD1 LEU 96 - QG2 THR 65 far 0 98 0 - 6.0-8.5 QD1 LEU 103 - QG2 THR 65 far 0 100 0 - 6.7-10.3 QD2 LEU 43 - QG2 THR 65 far 0 68 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 9432 from cnoeabs.peaks (0.67, 1.23, 22.77 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.99: QD2 LEU 62 + QG2 THR 65 OK 99 99 100 99 2.2-4.9 3.9/10993=47...(26) QD2 LEU 100 + QG2 THR 65 OK 47 98 65 74 4.1-8.0 9435/4.4=23, 9417/4.0=20...(12) QD1 ILE 129 - QG2 THR 65 far 0 60 0 - 6.9-9.5 QD1 LEU 43 - QG2 THR 65 far 0 63 0 - 9.5-11.3 Violated in 2 structures by 0.01 A. Peak 9440 from cnoeabs.peaks (1.48, 1.23, 22.77 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.96: QB ALA 52 + QG2 THR 65 OK 85 100 95 89 2.9-5.5 9247/11703=25...(20) HB2 LEU 49 + QG2 THR 65 OK 77 78 100 98 1.8-2.7 3.2/10966=39...(24) HG LEU 42 - QG2 THR 65 far 0 97 0 - 6.6-11.2 HG3 LYS 36 - QG2 THR 65 far 0 98 0 - 6.7-15.3 Violated in 0 structures by 0.00 A. Peak 9441 from cnoeabs.peaks (1.70, 1.23, 22.77 ppm; 3.95 A): 2 out of 6 assignments used, quality = 0.83: HG LEU 48 + QG2 THR 65 OK 62 89 70 100 2.7-7.2 2.1/10957=66, 11370=52...(17) HB2 LEU 69 + QG2 THR 65 OK 56 63 90 99 4.0-5.8 1.8/9443=87...(18) HD2 LYS 36 - QG2 THR 65 far 3 65 5 - 4.8-13.9 HD3 LYS 36 - QG2 THR 65 far 0 65 0 - 5.8-13.3 HB2 LEU 70 - QG2 THR 65 far 0 92 0 - 6.4-9.2 HB3 LEU 70 - QG2 THR 65 far 0 87 0 - 6.5-9.0 Violated in 9 structures by 0.22 A. Peak 9442 from cnoeabs.peaks (1.92, 1.23, 22.77 ppm; 3.81 A): 3 out of 4 assignments used, quality = 1.00: HB3 LEU 49 + QG2 THR 65 OK 100 100 100 100 1.8-4.1 3.2/10966=47...(29) HB3 LEU 48 + QG2 THR 65 OK 42 76 55 99 2.5-7.2 1.8/10991=57...(20) HG LEU 53 + QG2 THR 65 OK 26 85 45 68 2.9-8.9 9253/9432=14...(15) HB3 LEU 123 - QG2 THR 65 far 0 51 0 - 5.4-9.7 Violated in 0 structures by 0.00 A. Peak 9443 from cnoeabs.peaks (2.18, 1.23, 22.77 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.55: HB3 LEU 69 + QG2 THR 65 OK 55 83 70 94 2.9-5.7 3.0/11044=37...(18) HB3 GLN 68 - QG2 THR 65 far 10 99 10 - 4.8-7.2 HB2 GLN 104 - QG2 THR 65 far 0 100 0 - 7.3-12.3 Violated in 19 structures by 1.14 A. Peak 9445 from cnoeabs.peaks (8.31, 1.23, 22.77 ppm; 4.07 A): 2 out of 10 assignments used, quality = 1.00: H LEU 49 + QG2 THR 65 OK 98 98 100 100 2.0-4.7 11703=86, 2.9/9200=46...(28) H LEU 69 + QG2 THR 65 OK 94 95 100 99 3.8-5.3 3.7/9443=60...(22) H ALA 28 - QG2 THR 65 far 14 92 15 - 5.4-15.7 H VAL 126 - QG2 THR 65 far 0 81 0 - 5.9-10.3 H ALA 21 - QG2 THR 65 far 0 100 0 - 7.3-21.9 H TYR 72 - QG2 THR 65 far 0 97 0 - 7.6-9.3 H GLY 17 - QG2 THR 65 far 0 99 0 - 7.8-26.2 H GLU 44 - QG2 THR 65 far 0 81 0 - 7.8-10.1 H LEU 43 - QG2 THR 65 far 0 73 0 - 8.3-11.1 H ALA 110 - QG2 THR 65 far 0 97 0 - 9.5-19.1 Violated in 1 structures by 0.00 A. Peak 9446 from cnoeabs.peaks (8.03, 1.23, 22.77 ppm; 4.79 A): 2 out of 6 assignments used, quality = 0.96: H ALA 52 + QG2 THR 65 OK 88 100 90 98 4.2-7.1 2.9/9440=46...(19) H LEU 48 + QG2 THR 65 OK 66 89 75 100 3.8-6.4 9199=71, 4.0/11703=63...(16) H CYS 125 - QG2 THR 65 far 0 92 0 - 7.4-11.7 H SER 130 - QG2 THR 65 far 0 99 0 - 7.8-11.1 H VAL 57 - QG2 THR 65 far 0 78 0 - 7.9-10.6 H ILE 129 - QG2 THR 65 far 0 68 0 - 8.5-11.6 Violated in 13 structures by 0.31 A. Peak 9448 from cnoeabs.peaks (0.80, 3.63, 47.55 ppm; 4.48 A): 9 out of 22 assignments used, quality = 1.00: QD2 LEU 49 + HA3 GLY 66 OK 97 99 100 98 2.8-5.6 9208=48, 9208/1.8=47...(25) QD2 LEU 49 + HA2 GLY 66 OK 96 98 100 98 1.8-4.7 9208=51, 9208/1.8=44...(25) QG1 VAL 63 + HA3 GLY 66 OK 80 83 100 96 4.4-5.8 ~2019=28, 3.2/10975=26...(22) QD1 LEU 70 + HA3 GLY 66 OK 56 90 85 73 3.5-6.5 11088/4.9=42...(12) QD1 LEU 122 + HA3 GLY 66 OK 56 100 100 56 1.7-5.4 9487/10035=11...(19) QD1 LEU 70 + HA2 GLY 66 OK 54 87 85 72 2.9-6.4 11088/4.9=42...(10) QD2 LEU 122 + HA3 GLY 66 OK 50 90 100 56 2.0-4.6 11492/10035=12...(18) QD1 LEU 122 + HA2 GLY 66 OK 48 98 95 52 1.8-6.2 9487/10035=11...(15) QD2 LEU 122 + HA2 GLY 66 OK 45 87 100 51 2.8-5.3 11492/10035=11...(12) QG1 VAL 63 - HA2 GLY 66 far 12 80 15 - 4.4-6.7 QD1 LEU 53 - HA3 GLY 66 poor 10 98 50 20 2.8-9.9 1585/9210=5, 9434/2.9=3...(10) QD2 LEU 119 - HA3 GLY 66 far 10 100 10 - 5.6-11.9 QD1 LEU 53 - HA2 GLY 66 lone 10 96 50 20 2.6-10.4 1585/9210=6, 9434/2.9=3...(9) QD1 LEU 103 - HA3 GLY 66 far 8 81 10 - 5.5-10.3 QD1 ILE 32 - HA3 GLY 66 far 3 68 5 - 5.9-10.5 QD1 ILE 32 - HA2 GLY 66 far 3 65 5 - 5.6-10.0 QD2 LEU 119 - HA2 GLY 66 far 0 99 0 - 6.4-13.0 QD1 ILE 37 - HA2 GLY 66 far 0 70 0 - 6.5-12.4 QD1 LEU 103 - HA2 GLY 66 far 0 78 0 - 7.0-11.1 QD1 ILE 37 - HA3 GLY 66 far 0 73 0 - 7.2-13.4 QG2 ILE 129 - HA2 GLY 66 far 0 82 0 - 8.0-10.0 QG2 ILE 129 - HA3 GLY 66 far 0 85 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 9449 from cnoeabs.peaks (0.67, 3.63, 47.55 ppm; 4.79 A): 4 out of 6 assignments used, quality = 1.00: QD2 LEU 100 + HA3 GLY 66 OK 96 97 100 100 1.9-5.6 2.1/10035=46, ~10045=42...(28) QD2 LEU 62 + HA3 GLY 66 OK 96 99 100 98 2.7-4.3 9384/2.9=51...(25) QD2 LEU 62 + HA2 GLY 66 OK 94 97 100 97 3.6-4.7 9384/2.9=51...(24) QD2 LEU 100 + HA2 GLY 66 OK 89 94 95 100 3.4-6.3 2.1/10035=46, ~10045=42...(23) QD1 ILE 129 - HA2 GLY 66 far 3 63 5 - 6.2-8.2 QD1 ILE 129 - HA3 GLY 66 far 0 65 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 9451 from cnoeabs.peaks (8.66, 7.15, 118.65 ppm; 6.15 A): 1 out of 2 assignments used, quality = 1.00: H HIS 67 + HD2 HIS 67 OK 100 100 100 100 4.1-5.2 6870=100, 2.9/2096=99...(11) H SER 60 - HD2 HIS 67 far 0 98 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 9462 from cnoeabs.peaks (0.82, 4.22, 58.98 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: QD1 LEU 70 + HA HIS 67 OK 100 100 100 100 2.0-4.9 11102=98, 2.1/11089=79...(24) QD1 LEU 122 - HA HIS 67 poor 17 90 25 74 3.2-7.7 ~9258=29, 9487/10037=18...(21) QD2 LEU 49 - HA HIS 67 far 3 68 5 - 5.5-8.1 QD1 LEU 53 - HA HIS 67 far 0 60 0 - 6.3-13.8 QD2 LEU 119 - HA HIS 67 far 0 78 0 - 8.2-13.2 QG2 ILE 129 - HA HIS 67 far 0 100 0 - 9.2-11.0 Violated in 1 structures by 0.04 A. Peak 9463 from cnoeabs.peaks (0.61, 4.22, 58.98 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.95: QD1 LEU 100 + HA HIS 67 OK 95 95 100 100 1.8-2.6 10037=91, 2.1/11014=78...(22) QD1 ILE 129 - HA HIS 67 far 0 68 0 - 7.5-9.5 QD1 LEU 42 - HA HIS 67 far 0 85 0 - 7.9-11.8 Violated in 0 structures by 0.00 A. Peak 9465 from cnoeabs.peaks (0.79, 3.34, 27.78 ppm; 5.52 A): 5 out of 11 assignments used, quality = 1.00: QG1 VAL 63 + HB2 HIS 67 OK 98 99 100 100 2.5-4.2 9406/4.0=85...(19) QD1 LEU 70 + HB2 HIS 67 OK 60 63 95 100 3.8-7.3 ~11089=68, ~11104=61...(25) QD2 LEU 122 + HB2 HIS 67 OK 48 100 50 96 5.2-8.3 9258/1.8=90, 9460/3.8=13...(14) QD1 LEU 122 + HB2 HIS 67 OK 31 90 40 86 3.5-9.4 ~9258=67, ~9468=14...(13) QD1 ILE 32 + HB2 HIS 67 OK 23 93 55 44 2.4-9.8 9411/2102=17...(12) QD2 LEU 49 - HB2 HIS 67 poor 19 99 30 64 6.3-8.3 1579/3.8=32, 9474/4.4=13...(13) QD1 LEU 103 - HB2 HIS 67 far 10 98 10 - 5.6-10.2 QD1 ILE 37 - HB2 HIS 67 far 10 96 10 - 6.5-12.5 QD1 LEU 53 - HB2 HIS 67 far 5 100 5 - 7.0-14.6 QD1 LEU 96 - HB2 HIS 67 far 4 85 5 - 6.7-8.7 QD2 LEU 119 - HB2 HIS 67 far 0 97 0 - 7.3-14.7 Violated in 0 structures by 0.00 A. Peak 9466 from cnoeabs.peaks (0.63, 3.34, 27.78 ppm; 6.80 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 42 - HB2 HIS 67 far 0 100 0 - 9.0-12.3 QD1 ILE 129 - HB2 HIS 67 far 0 99 0 - 9.3-11.7 Violated in 20 structures by 2.59 A. Peak 9468 from cnoeabs.peaks (0.78, 3.41, 27.78 ppm; 6.20 A): 5 out of 10 assignments used, quality = 1.00: QG1 VAL 63 + HB3 HIS 67 OK 100 100 100 100 2.1-4.6 9406/4.0=96...(14) QD2 LEU 122 + HB3 HIS 67 OK 83 100 85 97 5.2-8.7 9258=93, 9465/1.8=16...(11) QD1 LEU 122 + HB3 HIS 67 OK 50 73 70 97 3.9-8.9 2.1/9258=95, ~9465=13...(10) QD2 LEU 49 + HB3 HIS 67 OK 42 93 85 53 6.4-8.9 1579/3.8=34...(6) QD1 ILE 32 + HB3 HIS 67 OK 35 99 50 71 2.7-10.4 10846/9456=51...(8) QD1 ILE 37 - HB3 HIS 67 far 10 100 10 - 7.4-13.0 QD1 LEU 53 - HB3 HIS 67 far 10 97 10 - 6.3-14.5 QD1 LEU 103 - HB3 HIS 67 poor 6 100 25 23 6.4-9.7 11835/2113=18...(3) QD1 LEU 96 - HB3 HIS 67 lone 3 97 50 6 6.0-8.6 11708/1.8=3, 9470/4.0=2 QD2 LEU 119 - HB3 HIS 67 far 0 87 0 - 8.1-13.8 Violated in 0 structures by 0.00 A. Peak 9470 from cnoeabs.peaks (0.80, 7.15, 118.65 ppm; 3.89 A): 2 out of 11 assignments used, quality = 0.91: QD1 LEU 70 + HD2 HIS 67 OK 73 83 90 98 2.3-7.5 11096=64, 2.1/11081=61...(11) QG1 VAL 63 + HD2 HIS 67 OK 67 90 75 99 1.9-5.6 9406=83, 2.1/10982=48...(9) QD1 LEU 96 - HD2 HIS 67 far 10 65 15 - 4.8-9.3 QD1 LEU 103 - HD2 HIS 67 far 9 89 10 - 4.8-11.6 QD1 LEU 122 - HD2 HIS 67 far 5 99 5 - 5.1-9.1 QD1 ILE 32 - HD2 HIS 67 lone 1 78 30 6 3.3-11.0 9465/4.0=2, 9468/4.0=2 QD2 LEU 122 - HD2 HIS 67 far 0 96 0 - 5.8-7.9 QD1 ILE 37 - HD2 HIS 67 far 0 83 0 - 6.0-12.7 QD2 LEU 49 - HD2 HIS 67 far 0 100 0 - 7.4-9.9 QD1 LEU 53 - HD2 HIS 67 far 0 100 0 - 7.7-15.9 QD2 LEU 119 - HD2 HIS 67 far 0 100 0 - 8.8-14.0 Violated in 8 structures by 0.25 A. Peak 9471 from cnoeabs.peaks (1.72, 7.15, 118.65 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: HB2 LEU 70 + HD2 HIS 67 OK 97 97 100 100 2.8-8.0 3.2/11080=99...(14) HB3 LEU 70 + HD2 HIS 67 OK 94 99 95 100 2.9-8.7 3.2/11080=99...(13) HB2 LYS 26 - HD2 HIS 67 far 3 63 5 - 8.3-19.3 HB2 LYS 24 - HD2 HIS 67 far 0 71 0 - 9.1-25.4 HG LEU 98 - HD2 HIS 67 far 0 95 0 - 9.8-15.7 HB2 LYS 31 - HD2 HIS 67 far 0 81 0 - 9.9-18.8 Violated in 1 structures by 0.01 A. Peak 9472 from cnoeabs.peaks (0.60, 7.15, 118.65 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 100 + HD2 HIS 67 OK 100 100 100 100 1.9-5.0 10044=99, 2.1/11485=83...(11) Violated in 1 structures by 0.02 A. Peak 9478 from cnoeabs.peaks (0.80, 2.23, 33.86 ppm; 5.53 A): 4 out of 11 assignments used, quality = 0.92: QD1 ILE 32 + HG2 GLN 68 OK 67 76 90 98 2.6-8.9 ~11018=61, 9009/1.8=36...(20) QD2 LEU 49 + HG2 GLN 68 OK 58 100 70 83 2.8-8.7 9431/9479=35...(12) QD1 ILE 37 + HG2 GLN 68 OK 29 81 45 80 3.9-9.5 9025/11830=52...(11) QD1 LEU 70 + HG2 GLN 68 OK 22 85 35 74 5.6-8.6 9511/11024=22...(15) QG1 VAL 63 - HG2 GLN 68 poor 16 89 35 51 5.8-8.1 9474/2150=12...(10) QD1 LEU 53 - HG2 GLN 68 far 10 99 10 - 5.5-15.0 QD1 LEU 122 - HG2 GLN 68 far 10 99 10 - 5.9-12.5 QD2 LEU 122 - HG2 GLN 68 far 5 95 5 - 7.0-11.0 QD1 LEU 96 - HG2 GLN 68 far 0 63 0 - 7.1-9.7 QG2 ILE 129 - HG2 GLN 68 far 0 78 0 - 9.0-12.4 QD1 LEU 103 - HG2 GLN 68 far 0 87 0 - 9.7-13.7 Violated in 1 structures by 0.03 A. Peak 9479 from cnoeabs.peaks (1.22, 2.23, 33.86 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.78: QG2 THR 65 + HG2 GLN 68 OK 78 98 80 100 3.3-7.1 11016/1.8=88, ~11023=47...(29) Violated in 9 structures by 0.62 A. Peak 9481 from cnoeabs.peaks (7.14, 2.23, 33.86 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.96: QD TYR 72 + HG2 GLN 68 OK 96 96 100 100 3.9-6.3 2.2/11830=91...(25) HD2 HIS 67 - HG2 GLN 68 far 9 90 10 - 2.6-8.9 Violated in 7 structures by 0.29 A. Peak 9482 from cnoeabs.peaks (7.15, 2.32, 33.86 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.80: QD TYR 72 + HG3 GLN 68 OK 80 100 80 100 3.3-6.9 9481/1.8=77, ~11830=61...(22) HD2 HIS 67 - HG3 GLN 68 far 5 100 5 - 4.3-9.8 Violated in 9 structures by 0.61 A. Peak 9484 from cnoeabs.peaks (0.29, 3.88, 58.34 ppm; 6.00 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA LEU 70 OK 100 100 100 100 3.9-5.2 9485/2269=93...(23) QD1 ILE 80 - HA LEU 70 far 0 76 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 9485 from cnoeabs.peaks (0.28, 0.86, 25.01 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.69: QG2 VAL 93 + QD2 LEU 70 OK 69 98 70 100 3.4-6.5 11407/2.1=65...(29) QD1 ILE 80 - QD2 LEU 70 far 0 97 0 - 8.3-11.4 Violated in 18 structures by 1.05 A. Peak 9486 from cnoeabs.peaks (2.42, 0.86, 25.01 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.89: HG3 GLU 97 + QD2 LEU 70 OK 89 100 90 99 1.8-5.4 9489/2.1=44...(33) HG2 GLN 101 - QD2 LEU 70 poor 20 99 20 - 4.3-8.9 HG3 GLU 128 - QD2 LEU 70 far 0 100 0 - 8.2-13.3 HG3 GLN 61 - QD2 LEU 70 far 0 100 0 - 9.6-13.5 Violated in 11 structures by 0.39 A. Peak 9487 from cnoeabs.peaks (0.61, 0.82, 25.52 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 100 + QD1 LEU 70 OK 98 99 100 99 1.7-4.1 11115/2.1=55...(46) QD1 LEU 100 + QD1 LEU 122 OK 28 59 50 94 1.8-5.1 11388/2.1=27, ~3903=13...(45) QD1 LEU 42 - QD1 LEU 70 far 0 71 0 - 5.5-10.2 QD1 LEU 42 - QD1 LEU 122 far 0 36 0 - 7.3-11.2 Violated in 2 structures by 0.06 A. Peak 9488 from cnoeabs.peaks (1.40, 0.82, 25.52 ppm; 3.43 A): 4 out of 29 assignments used, quality = 1.00: HG LEU 96 + QD1 LEU 70 OK 97 100 100 97 1.6-4.5 11917/2.1=28...(40) HB2 LEU 96 + QD1 LEU 70 OK 69 85 85 96 2.4-6.5 1.8/11110=28...(38) HB3 LEU 100 + QD1 LEU 70 OK 68 83 85 96 2.2-6.2 3.2/9487=42, ~11115=25...(37) HB3 LEU 100 + QD1 LEU 122 OK 43 44 100 97 1.9-4.2 3.2/9487=12, ~3903=11...(56) HB2 LEU 96 - QD1 LEU 122 poor 14 46 30 - 2.6-7.6 HG LEU 96 - QD1 LEU 122 poor 12 61 20 - 2.7-8.1 QB ALA 29 - QD1 LEU 70 far 4 85 5 - 2.8-11.9 QB ALA 34 - QD1 LEU 70 far 0 85 0 - 5.7-14.2 QB ALA 110 - QD1 LEU 122 far 0 49 0 - 5.8-13.3 QB ALA 108 - QD1 LEU 70 far 0 92 0 - 6.1-13.2 QB ALA 109 - QD1 LEU 122 far 0 56 0 - 6.1-11.8 QB ALA 29 - QD1 LEU 122 far 0 46 0 - 6.4-11.9 QB ALA 108 - QD1 LEU 122 far 0 51 0 - 6.5-11.7 QB ALA 109 - QD1 LEU 70 far 0 97 0 - 6.8-13.3 HG3 LYS 95 - QD1 LEU 70 far 0 93 0 - 7.0-11.1 QB ALA 28 - QD1 LEU 70 far 0 90 0 - 7.0-15.9 HG3 LYS 26 - QD1 LEU 122 far 0 47 0 - 7.2-18.6 HG2 LYS 95 - QD1 LEU 70 far 0 96 0 - 7.3-11.5 HG3 LYS 31 - QD1 LEU 70 far 0 98 0 - 7.4-17.4 HG2 LYS 95 - QD1 LEU 122 far 0 55 0 - 7.6-11.2 HG3 LYS 95 - QD1 LEU 122 far 0 52 0 - 7.8-11.0 QB ALA 110 - QD1 LEU 70 far 0 89 0 - 7.9-17.6 HG2 LYS 36 - QD1 LEU 70 far 0 85 0 - 8.2-13.9 QB ALA 15 - QD1 LEU 70 far 0 89 0 - 8.3-29.2 HB2 LEU 42 - QD1 LEU 70 far 0 81 0 - 8.9-12.0 QB ALA 28 - QD1 LEU 122 far 0 50 0 - 8.9-13.0 QB ALA 34 - QD1 LEU 122 far 0 46 0 - 9.3-17.6 HG2 LYS 36 - QD1 LEU 122 far 0 46 0 - 9.7-19.3 HG2 LYS 24 - QD1 LEU 122 far 0 44 0 - 9.9-24.3 Violated in 0 structures by 0.00 A. Peak 9489 from cnoeabs.peaks (2.42, 0.82, 25.52 ppm; 3.68 A): 2 out of 9 assignments used, quality = 0.93: HG3 GLU 97 + QD1 LEU 70 OK 90 100 90 100 1.7-6.5 9486/2.1=75, 10005=51...(30) HG2 GLN 101 + QD1 LEU 70 OK 32 100 40 81 4.6-8.3 3112/10000=18...(22) HG3 GLU 97 - QD1 LEU 122 far 3 61 5 - 4.8-9.6 HG3 GLN 61 - QD1 LEU 122 far 0 56 0 - 6.4-10.5 HG2 GLN 101 - QD1 LEU 122 far 0 61 0 - 6.8-10.0 HG3 GLU 128 - QD1 LEU 122 far 0 61 0 - 8.6-12.1 HG3 GLU 128 - QD1 LEU 70 far 0 100 0 - 8.9-14.1 HB3 PRO 58 - QD1 LEU 122 far 0 54 0 - 9.0-14.3 HG3 GLU 55 - QD1 LEU 122 far 0 32 0 - 9.7-14.1 Violated in 7 structures by 0.27 A. Peak 9490 from cnoeabs.peaks (2.76, 0.82, 25.52 ppm; 4.47 A): 2 out of 9 assignments used, quality = 0.49: HB2 CYS 73 + QD1 LEU 70 OK 36 93 40 96 3.8-7.6 11094/2.1=54...(15) HB2 CYS 125 + QD1 LEU 70 OK 21 68 45 68 4.2-9.1 1.8/9498=34...(13) HB2 CYS 125 - QD1 LEU 122 poor 17 35 50 - 3.4-7.1 HB2 ASP 64 - QD1 LEU 122 far 3 56 5 - 5.9-10.6 HB2 CYS 73 - QD1 LEU 122 far 0 52 0 - 6.3-11.1 HB2 TYR 76 - QD1 LEU 70 far 0 100 0 - 7.5-11.9 HB2 ASP 64 - QD1 LEU 70 far 0 97 0 - 8.9-11.3 HB2 ASP 131 - QD1 LEU 122 far 0 57 0 - 9.9-12.9 HB3 ASP 78 - QD1 LEU 70 far 0 73 0 - 9.9-14.1 Violated in 16 structures by 0.83 A. Peak 9494 from cnoeabs.peaks (3.33, 2.16, 40.48 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: HB3 TYR 72 + HB3 LEU 69 OK 97 97 100 100 4.2-8.0 2178/3.0=95, 9514/3.2=86...(30) HB3 CYS 73 + HB3 LEU 69 OK 92 98 95 99 5.3-8.4 11073/3.2=48, ~11071=44...(20) HB2 HIS 67 + HB3 LEU 69 OK 74 96 80 96 6.4-8.7 9464/1.8=89, 2178/3.0=19...(16) Violated in 0 structures by 0.00 A. Peak 9495 from cnoeabs.peaks (3.28, 0.86, 25.01 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.52: HA VAL 93 + QD2 LEU 70 OK 52 63 85 98 3.3-6.6 3.2/9485=65, ~11407=36...(24) Violated in 16 structures by 0.72 A. Peak 9496 from cnoeabs.peaks (2.23, 0.86, 25.01 ppm; 3.32 A): 3 out of 10 assignments used, quality = 0.89: HB3 LEU 96 + QD2 LEU 70 OK 77 100 80 96 2.1-5.5 1.8/11916=28...(39) HB3 GLU 97 + QD2 LEU 70 OK 43 87 50 100 2.3-6.0 2.9/9486=50...(33) HB2 GLN 101 + QD2 LEU 70 OK 20 63 45 71 3.2-8.1 3110/11090=12, ~9489=9...(21) HB3 GLN 104 - QD2 LEU 70 far 5 96 5 - 4.2-11.3 HG2 GLN 68 - QD2 LEU 70 far 0 100 0 - 5.1-8.8 HB2 GLN 68 - QD2 LEU 70 far 0 92 0 - 5.5-8.4 HB3 GLU 102 - QD2 LEU 70 far 0 100 0 - 6.6-10.5 HB3 GLN 127 - QD2 LEU 70 far 0 99 0 - 7.1-12.4 HB3 GLU 128 - QD2 LEU 70 far 0 98 0 - 7.8-11.4 HG2 GLU 91 - QD2 LEU 70 far 0 99 0 - 9.0-13.6 Violated in 10 structures by 0.22 A. Peak 9497 from cnoeabs.peaks (3.33, 0.82, 25.52 ppm; 5.49 A): 2 out of 8 assignments used, quality = 0.96: HB2 HIS 67 + QD1 LEU 70 OK 86 90 95 100 3.8-7.3 3.0/11088=94...(25) HB3 CYS 73 + QD1 LEU 70 OK 74 100 75 100 3.5-7.5 2233/2261=79...(17) HB2 HIS 67 - QD1 LEU 122 poor 20 50 40 - 3.5-9.4 HB3 TYR 72 - QD1 LEU 70 poor 19 93 20 - 5.8-9.6 HB3 CYS 73 - QD1 LEU 122 far 3 60 5 - 6.7-11.1 HB3 TYR 72 - QD1 LEU 122 far 0 52 0 - 8.0-12.2 HB2 PHE 89 - QD1 LEU 70 far 0 96 0 - 9.7-12.3 HB3 PHE 89 - QD1 LEU 70 far 0 99 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 9498 from cnoeabs.peaks (3.22, 0.82, 25.52 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.75: HB3 CYS 125 + QD1 LEU 70 OK 56 92 75 81 5.1-8.9 1.8/9490=34, ~11094=23...(18) HB3 CYS 125 + QD1 LEU 122 OK 43 51 85 100 3.7-7.1 ~11828=63, ~11653=48...(25) Violated in 8 structures by 0.25 A. Peak 9504 from cnoeabs.peaks (8.34, 7.15, 131.84 ppm; 6.72 A): 2 out of 4 assignments used, quality = 1.00: H GLU 44 + QD TYR 72 OK 98 99 100 99 5.8-7.8 ~9142=70, 9130/9062=68...(13) H TYR 72 + QD TYR 72 OK 89 89 100 100 2.4-3.4 4.5=100 H GLY 17 - QD TYR 72 far 0 85 0 - 9.2-27.3 H ALA 28 - QD TYR 72 far 0 96 0 - 9.2-16.3 Violated in 0 structures by 0.00 A. Peak 9509 from cnoeabs.peaks (1.72, 4.42, 57.33 ppm; 6.43 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 70 + HA ASP 71 OK 100 100 100 100 3.8-5.1 3.0/11117=88...(25) HB2 LEU 70 + HA ASP 71 OK 99 99 100 100 4.0-5.6 3.0/11117=88...(25) HB2 LYS 31 - HA ASP 71 far 0 73 0 - 8.5-19.8 HG13 ILE 129 - HA ASP 71 far 0 71 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 9511 from cnoeabs.peaks (0.81, 2.81, 39.26 ppm; 6.80 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 70 + HB3 ASP 71 OK 99 99 100 100 2.7-7.0 6964/6968=92, ~11117=73...(13) QD2 LEU 49 + HB3 ASP 71 OK 24 93 45 57 7.4-9.9 11250/9499=30...(5) QD1 LEU 122 - HB3 ASP 71 far 15 100 15 - 7.7-12.0 QD2 LEU 122 - HB3 ASP 71 far 11 73 15 - 7.9-10.7 QG1 VAL 63 - HB3 ASP 71 lone 8 63 65 18 7.4-9.5 9406/11926=10...(3) QG2 ILE 129 - HB3 ASP 71 far 0 97 0 - 8.6-10.3 QD1 LEU 53 - HB3 ASP 71 far 0 89 0 - 9.3-16.7 QD1 LEU 103 - HB3 ASP 71 far 0 60 0 - 9.6-14.5 Violated in 1 structures by 0.00 A. Peak 9513 from cnoeabs.peaks (1.49, 3.34, 37.59 ppm; 6.55 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 42 + HB3 TYR 72 OK 99 99 100 100 2.9-6.1 2.1/9091=98, 9090/1.8=96...(25) HG LEU 69 + HB3 TYR 72 OK 79 83 95 100 4.2-8.1 2.1/9514=96, 3.7/2178=90...(22) HG3 LYS 36 - HB3 TYR 72 poor 19 63 55 54 2.8-12.1 ~11124=27, ~11125=16...(5) HB2 LEU 49 - HB3 TYR 72 far 0 100 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 9514 from cnoeabs.peaks (1.00, 3.34, 37.59 ppm; 6.41 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 69 + HB3 TYR 72 OK 97 97 100 100 2.5-6.7 11064/2.7=96...(26) Violated in 1 structures by 0.01 A. Peak 9515 from cnoeabs.peaks (0.63, 3.34, 37.59 ppm; 5.57 A): 2 out of 3 assignments used, quality = 0.98: QD1 LEU 42 + HB3 TYR 72 OK 98 98 100 100 1.9-5.1 10874/1.8=96, 9091=95...(35) QD1 ILE 129 + HB3 TYR 72 OK 20 90 25 90 6.4-8.9 11038/9514=35...(14) QD1 LEU 100 - HB3 TYR 72 far 0 76 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 9516 from cnoeabs.peaks (1.50, 3.02, 37.59 ppm; 5.85 A): 2 out of 3 assignments used, quality = 0.98: HG LEU 42 + HB2 TYR 72 OK 90 90 100 100 3.6-5.7 2.1/10874=97...(25) HG LEU 69 + HB2 TYR 72 OK 76 96 80 100 4.2-8.7 ~11064=74, ~11080=74...(27) HB2 LEU 49 - HB2 TYR 72 far 0 100 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 9517 from cnoeabs.peaks (0.92, 3.02, 37.59 ppm; 5.75 A): 1 out of 6 assignments used, quality = 0.85: QG2 ILE 37 + HB2 TYR 72 OK 85 85 100 100 1.9-5.9 10825/1.8=77...(33) QD1 LEU 48 - HB2 TYR 72 far 5 99 5 - 7.3-12.2 QD1 LEU 49 - HB2 TYR 72 far 0 100 0 - 7.6-11.1 QD2 LEU 48 - HB2 TYR 72 far 0 99 0 - 8.4-12.3 QG1 VAL 20 - HB2 TYR 72 far 0 98 0 - 8.5-24.0 QG2 VAL 20 - HB2 TYR 72 far 0 71 0 - 9.3-23.8 Violated in 1 structures by 0.01 A. Peak 9518 from cnoeabs.peaks (0.79, 3.02, 37.59 ppm; 6.65 A): 5 out of 9 assignments used, quality = 0.99: QD1 ILE 37 + HB2 TYR 72 OK 96 96 100 100 1.6-7.3 9024/2.7=91, ~10825=88...(28) QD1 ILE 32 + HB2 TYR 72 OK 58 93 75 83 5.1-11.6 10827/2177=52...(5) QD2 LEU 49 + HB2 TYR 72 OK 38 99 65 59 5.8-9.1 9553/4.5=23...(5) QD1 LEU 96 + HB2 TYR 72 OK 38 85 70 65 5.4-9.1 11812/2177=33...(8) QD1 LEU 70 + HB2 TYR 72 OK 21 63 45 74 6.1-9.4 9523/3.8=37, ~11098=27...(9) QG2 ILE 80 - HB2 TYR 72 poor 15 76 20 - 7.4-12.5 QD2 LEU 122 - HB2 TYR 72 far 0 100 0 - 8.2-13.5 QD1 LEU 53 - HB2 TYR 72 far 0 100 0 - 8.8-15.9 QD1 LEU 122 - HB2 TYR 72 far 0 90 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 9519 from cnoeabs.peaks (0.63, 3.02, 37.59 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HB2 TYR 72 OK 100 100 100 100 1.9-4.3 10874=99, 9091/1.8=98...(29) QD1 ILE 129 - HB2 TYR 72 poor 20 99 20 - 6.2-10.1 Violated in 0 structures by 0.00 A. Peak 9529 from cnoeabs.peaks (4.37, 3.02, 37.59 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.94: HA CYS 73 + HB2 TYR 72 OK 94 95 100 100 4.1-5.7 9536/3.8=83, ~6996=68...(13) HA SER 33 - HB2 TYR 72 lone 4 71 50 11 5.6-12.5 10115/9518=6, 10788/9518=3 Violated in 0 structures by 0.00 A. Peak 9530 from cnoeabs.peaks (4.35, 3.34, 37.59 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.87: HA LEU 69 + HB3 TYR 72 OK 87 87 100 100 2.5-5.2 6973/3.8=87, 3.9/9514=83...(25) HA LYS 24 - HB3 TYR 72 far 0 93 0 - 10.0-25.4 Violated in 0 structures by 0.00 A. Peak 9531 from cnoeabs.peaks (4.34, 7.15, 131.84 ppm; 6.80 A): 3 out of 8 assignments used, quality = 1.00: HA LEU 69 + QD TYR 72 OK 99 99 100 100 1.7-2.8 6973/6983=99...(36) HA2 GLY 75 + QD TYR 72 OK 79 85 100 93 5.2-6.5 9604/9024=36...(10) HA TYR 76 + QD TYR 72 OK 68 71 100 96 4.9-7.5 11155/9022=56...(11) HA LYS 24 - QD TYR 72 far 5 100 5 - 7.6-21.2 HA ASP 47 - QD TYR 72 far 0 99 0 - 9.1-11.6 HA ASP 131 - QD TYR 72 far 0 60 0 - 9.8-13.3 HA CYS 125 - QD TYR 72 far 0 87 0 - 9.9-14.2 HA GLN 134 - QD TYR 72 far 0 90 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 9532 from cnoeabs.peaks (7.70, 6.81, 118.26 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.95: H CYS 45 + QE TYR 72 OK 95 95 100 100 4.5-6.5 9142=91, 3.5/9547=74...(21) Violated in 5 structures by 0.13 A. Peak 9533 from cnoeabs.peaks (7.99, 6.81, 118.26 ppm; 6.23 A): 3 out of 7 assignments used, quality = 0.98: H LYS 36 + QE TYR 72 OK 83 99 85 99 4.2-9.3 10891/9021=76...(10) H ILE 37 + QE TYR 72 OK 77 81 95 100 3.9-7.9 2.9/9367=92, 4.0/9021=86...(11) H SER 38 + QE TYR 72 OK 60 99 60 100 3.1-8.5 6423/9021=89...(8) H ILE 129 - QE TYR 72 lone 3 92 25 14 5.6-13.2 10475/9552=8, 10475/9552=5 H THR 18 - QE TYR 72 far 0 92 0 - 8.4-25.6 H SER 94 - QE TYR 72 far 0 100 0 - 9.5-14.5 H ASP 64 - QE TYR 72 far 0 60 0 - 9.7-12.1 Violated in 2 structures by 0.02 A. Peak 9534 from cnoeabs.peaks (8.31, 6.81, 118.26 ppm; 5.46 A): 3 out of 9 assignments used, quality = 1.00: H TYR 72 + QE TYR 72 OK 99 99 100 100 4.0-5.0 6984=99, 6983/2.2=97...(20) H LEU 69 + QE TYR 72 OK 90 90 100 100 3.6-4.9 4.3/11065=65...(22) H GLU 44 + QE TYR 72 OK 38 87 45 96 6.0-8.5 3.4/9142=71...(14) H LEU 43 - QE TYR 72 poor 20 65 30 - 5.2-8.9 H VAL 126 - QE TYR 72 far 4 73 5 - 6.6-13.3 H LEU 49 - QE TYR 72 far 0 96 0 - 7.1-10.3 H ALA 21 - QE TYR 72 far 0 99 0 - 7.5-23.8 H GLY 17 - QE TYR 72 far 0 100 0 - 7.8-25.5 H ALA 28 - QE TYR 72 far 0 96 0 - 8.4-16.3 Violated in 0 structures by 0.00 A. Peak 9536 from cnoeabs.peaks (8.34, 4.38, 64.37 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.84: H TYR 72 + HA CYS 73 OK 84 87 100 96 4.9-5.4 7005/3.6=46...(14) H GLU 44 - HA CYS 73 far 0 99 0 - 9.2-11.1 Violated in 14 structures by 0.09 A. Peak 9538 from cnoeabs.peaks (7.31, 4.38, 64.37 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.98: HZ PHE 89 + HA CYS 73 OK 98 99 100 99 1.7-2.8 2.2/11145=68...(17) Violated in 0 structures by 0.00 A. Peak 9539 from cnoeabs.peaks (7.80, 4.38, 64.37 ppm; 5.86 A): 1 out of 2 assignments used, quality = 0.94: H GLY 75 + HA CYS 73 OK 94 95 100 100 3.7-4.1 3.1/11789=89...(16) H ALA 92 - HA CYS 73 far 0 89 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 9540 from cnoeabs.peaks (4.34, 6.81, 118.26 ppm; 6.80 A): 2 out of 7 assignments used, quality = 0.99: HA LEU 69 + QE TYR 72 OK 98 98 100 100 2.2-3.5 11028/2.2=97...(29) HA2 GLY 75 + QE TYR 72 OK 57 78 85 86 7.1-8.5 9531/2.2=38...(7) HA ASP 47 - QE TYR 72 poor 20 100 20 - 7.4-12.2 HA TYR 76 - QE TYR 72 poor 16 63 25 - 6.6-9.5 HA LYS 24 - QE TYR 72 far 10 100 10 - 6.5-20.8 HA CYS 125 - QE TYR 72 far 5 92 5 - 8.2-15.6 HA GLN 134 - QE TYR 72 far 0 95 0 - 8.8-15.2 Violated in 0 structures by 0.00 A. Peak 9541 from cnoeabs.peaks (4.56, 6.81, 118.26 ppm; 5.63 A): 1 out of 2 assignments used, quality = 0.99: HA TYR 72 + QE TYR 72 OK 99 99 100 100 4.3-5.6 5.2=100 HA SER 38 - QE TYR 72 far 4 85 5 - 2.9-10.1 Violated in 0 structures by 0.00 A. Peak 9547 from cnoeabs.peaks (3.12, 6.81, 118.26 ppm; 4.33 A): 1 out of 3 assignments used, quality = 0.93: HB3 CYS 45 + QE TYR 72 OK 93 93 100 100 2.2-5.2 9146=73, 1.8/9144=69...(19) HB3 TYR 76 - QE TYR 72 poor 17 95 25 71 4.4-8.7 9011/9021=30...(7) HB2 HIS 7 - QE TYR 72 far 0 100 0 - 8.4-41.2 Violated in 2 structures by 0.05 A. Peak 9548 from cnoeabs.peaks (2.94, 6.81, 118.26 ppm; 4.58 A): 4 out of 12 assignments used, quality = 1.00: HB2 CYS 45 + QE TYR 72 OK 100 100 100 100 2.3-4.9 9144=90, 1.8/9547=72...(17) HE2 LYS 36 + QE TYR 72 OK 35 89 70 57 2.0-10.8 10705/9021=20...(9) HE3 LYS 36 + QE TYR 72 OK 30 81 70 54 2.0-11.8 10705/9021=16...(9) HG CYS 73 + QE TYR 72 OK 26 100 35 73 2.3-8.2 11831/6984=35...(6) HE3 LYS 26 - QE TYR 72 far 7 65 10 - 4.4-21.7 HE2 LYS 26 - QE TYR 72 far 7 65 10 - 5.8-22.3 HE2 LYS 31 - QE TYR 72 far 4 73 5 - 4.0-15.2 HE3 LYS 31 - QE TYR 72 far 3 65 5 - 4.3-15.7 HE2 LYS 24 - QE TYR 72 far 0 92 0 - 7.5-23.9 HE3 LYS 24 - QE TYR 72 far 0 81 0 - 8.5-23.3 HE3 LYS 39 - QE TYR 72 far 0 95 0 - 9.2-15.3 HE2 LYS 39 - QE TYR 72 far 0 98 0 - 9.4-14.3 Violated in 1 structures by 0.00 A. Peak 9549 from cnoeabs.peaks (2.30, 6.81, 118.26 ppm; 5.08 A): 1 out of 6 assignments used, quality = 0.78: HG3 GLN 68 + QE TYR 72 OK 78 78 100 100 1.9-6.0 1.8/11830=96...(16) HB VAL 132 - QE TYR 72 far 0 81 0 - 7.5-16.3 HG2 GLU 30 - QE TYR 72 far 0 93 0 - 7.6-18.6 HG2 GLU 40 - QE TYR 72 far 0 95 0 - 7.6-13.2 HB3 GLN 134 - QE TYR 72 far 0 63 0 - 8.2-15.8 HG2 GLU 97 - QE TYR 72 far 0 57 0 - 8.3-13.5 Violated in 2 structures by 0.06 A. Peak 9550 from cnoeabs.peaks (2.19, 6.81, 118.26 ppm; 4.33 A): 2 out of 3 assignments used, quality = 0.95: HB3 GLN 68 + QE TYR 72 OK 78 98 80 100 2.3-7.0 3.0/11830=64...(20) HB3 LEU 69 + QE TYR 72 OK 78 78 100 100 1.7-4.8 3.2/11065=52, ~11028=38...(28) HB VAL 133 - QE TYR 72 far 15 100 15 - 5.3-12.4 Violated in 1 structures by 0.00 A. Peak 9551 from cnoeabs.peaks (1.17, 6.81, 118.26 ppm; 4.14 A): 1 out of 6 assignments used, quality = 0.85: QB ALA 41 + QE TYR 72 OK 85 100 85 100 3.9-6.3 9063=100, 9062/2.2=69...(18) HG12 ILE 32 - QE TYR 72 poor 19 98 45 44 3.7-13.6 2.1/10748=17, ~10747=13...(4) QG2 THR 25 - QE TYR 72 far 5 90 5 - 4.8-19.1 QG2 VAL 77 - QE TYR 72 far 0 97 0 - 5.9-11.7 HG3 LYS 39 - QE TYR 72 far 0 92 0 - 7.8-12.4 QG2 THR 18 - QE TYR 72 far 0 100 0 - 9.2-23.1 Violated in 19 structures by 0.92 A. Peak 9552 from cnoeabs.peaks (0.95, 6.81, 118.26 ppm; 5.08 A): 2 out of 6 assignments used, quality = 0.89: QG2 ILE 37 + QE TYR 72 OK 86 90 95 100 1.8-6.6 9021=84, 9022/2.2=83...(31) QG2 VAL 126 + QE TYR 72 OK 21 96 30 74 3.7-8.6 9527/2.2=60...(6) QG1 VAL 126 - QE TYR 72 poor 18 100 25 71 4.1-10.0 ~9527=60, 10409/11126=12...(5) QD1 LEU 48 - QE TYR 72 poor 11 63 40 43 5.1-8.6 9164/10896=11, ~11137=9...(7) QD1 LEU 123 - QE TYR 72 far 0 73 0 - 7.3-13.4 QD2 LEU 53 - QE TYR 72 far 0 92 0 - 8.8-14.4 Violated in 5 structures by 0.15 A. Peak 9553 from cnoeabs.peaks (0.79, 6.81, 118.26 ppm; 5.19 A): 3 out of 12 assignments used, quality = 0.98: QD1 ILE 37 + QE TYR 72 OK 90 90 100 100 2.2-6.4 9025=84, 3.0/9021=82...(27) QD1 ILE 32 + QE TYR 72 OK 61 87 75 93 1.8-10.6 10827/9540=34...(21) QD2 LEU 49 + QE TYR 72 OK 60 100 90 66 4.2-7.4 11061/11069=16...(14) QD1 LEU 96 - QE TYR 72 poor 19 76 25 - 4.8-8.6 QG2 ILE 129 - QE TYR 72 poor 16 65 25 - 2.0-9.6 QG2 ILE 80 - QE TYR 72 far 8 85 10 - 5.0-14.0 QD1 LEU 70 - QE TYR 72 far 7 73 10 - 6.1-8.5 QD1 LEU 122 - QE TYR 72 far 5 96 5 - 6.5-12.0 QD2 LEU 122 - QE TYR 72 far 0 99 0 - 7.0-10.6 HG13 ILE 80 - QE TYR 72 far 0 60 0 - 7.3-16.0 QD1 LEU 53 - QE TYR 72 far 0 100 0 - 7.7-13.5 QG1 VAL 63 - QE TYR 72 far 0 96 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 9558 from cnoeabs.peaks (2.94, 2.75, 27.55 ppm; 5.56 A): 1 out of 4 assignments used, quality = 1.00: * HG CYS 73 + HB2 CYS 73 OK 100 100 100 100 2.6-3.4 3.4=100 HB2 CYS 45 - HB2 CYS 73 far 10 99 10 - 6.5-11.5 HE2 LYS 36 - HB2 CYS 73 far 4 76 5 - 7.0-17.1 HE3 LYS 36 - HB2 CYS 73 far 0 65 0 - 7.6-16.7 Violated in 0 structures by 0.00 A. Peak 9559 from cnoeabs.peaks (2.94, 4.38, 64.37 ppm; 4.88 A): 1 out of 7 assignments used, quality = 1.00: HG CYS 73 + HA CYS 73 OK 100 100 100 100 3.1-4.3 4.6=100 HE2 LYS 36 - HA CYS 73 far 0 87 0 - 7.2-16.7 HB2 CYS 45 - HA CYS 73 far 0 100 0 - 7.6-10.4 HE3 LYS 36 - HA CYS 73 far 0 78 0 - 7.9-16.4 HE3 LYS 39 - HA CYS 73 far 0 96 0 - 8.2-13.5 HE2 LYS 39 - HA CYS 73 far 0 99 0 - 8.5-13.5 HE3 LYS 86 - HA CYS 73 far 0 83 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 9569 from cnoeabs.peaks (0.77, 4.38, 64.37 ppm; 6.21 A): 6 out of 9 assignments used, quality = 1.00: QD1 LEU 96 + HA CYS 73 OK 97 100 100 97 4.5-7.5 9986/3.0=47, ~11803=36...(19) QD1 ILE 37 + HA CYS 73 OK 89 99 95 95 4.0-10.4 10841/11126=58...(9) QG1 VAL 93 + HA CYS 73 OK 81 81 100 100 3.7-5.3 2.1/9955=77, 9961/3.0=71...(24) QD2 LEU 96 + HA CYS 73 OK 77 78 100 98 4.2-6.9 11693/4.6=50, ~9986=37...(20) HG12 ILE 129 + HA CYS 73 OK 64 81 80 99 4.6-7.9 2.1/9570=44, ~10463=38...(16) QD2 LEU 43 + HA CYS 73 OK 30 90 85 40 5.7-9.2 11678/11759=16...(6) QD1 ILE 32 - HA CYS 73 far 5 99 5 - 5.0-13.9 QD2 LEU 49 - HA CYS 73 far 3 68 5 - 7.3-9.2 QD2 LEU 122 - HA CYS 73 far 0 90 0 - 8.3-12.6 Violated in 0 structures by 0.00 A. Peak 9570 from cnoeabs.peaks (0.62, 4.38, 64.37 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.94: QD1 LEU 42 + HA CYS 73 OK 84 89 95 99 1.8-5.7 9110/9538=38...(25) QD1 ILE 129 + HA CYS 73 OK 65 73 95 93 3.9-7.1 9967/9955=31...(24) QD1 LEU 100 - HA CYS 73 far 0 92 0 - 9.0-11.3 Violated in 1 structures by 0.01 A. Peak 9571 from cnoeabs.peaks (0.28, 4.38, 64.37 ppm; 5.14 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA CYS 73 OK 100 100 100 100 3.1-4.7 9955=77, 9959/3.0=73...(35) QD1 ILE 80 + HA CYS 73 OK 85 92 95 98 4.6-7.5 9749/11145=49...(23) Violated in 0 structures by 0.00 A. Peak 9572 from cnoeabs.peaks (0.77, 2.75, 27.55 ppm; 6.80 A): 6 out of 9 assignments used, quality = 1.00: QD1 LEU 96 + HB2 CYS 73 OK 99 100 100 100 2.5-5.1 ~11693=73, 2.1/11803=48...(23) QG1 VAL 93 + HB2 CYS 73 OK 89 89 100 100 2.1-5.0 ~9955=86, 9961=83...(29) HG12 ILE 129 + HB2 CYS 73 OK 89 89 100 100 2.7-7.1 ~10462=65, 11717/9959=51...(19) QD2 LEU 96 + HB2 CYS 73 OK 87 87 100 100 2.3-6.1 11693/3.4=75...(21) QD2 LEU 43 + HB2 CYS 73 OK 45 96 75 63 5.8-9.6 9129/9098=41...(7) QD1 ILE 37 + HB2 CYS 73 OK 39 96 65 63 5.5-10.6 10841/5516=18...(8) QD2 LEU 122 - HB2 CYS 73 lone 6 83 60 12 6.2-11.3 7329/9985=5...(4) QD1 ILE 32 - HB2 CYS 73 far 5 97 5 - 5.0-14.2 QD1 LEU 53 - HB2 CYS 73 far 0 65 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 9573 from cnoeabs.peaks (0.28, 2.75, 27.55 ppm; 5.17 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HB2 CYS 73 OK 100 100 100 100 1.7-3.6 2.1/9961=97, 9955/3.0=83...(36) QD1 ILE 80 + HB2 CYS 73 OK 49 92 60 89 5.3-9.2 9571/3.0=31...(23) Violated in 0 structures by 0.00 A. Peak 9578 from cnoeabs.peaks (2.92, 3.32, 27.55 ppm; 5.88 A): 1 out of 2 assignments used, quality = 0.83: HG CYS 73 + HB3 CYS 73 OK 83 83 100 100 2.6-3.4 3.4=100 HB2 CYS 45 - HB3 CYS 73 far 3 68 5 - 6.4-11.3 Violated in 0 structures by 0.00 A. Peak 9579 from cnoeabs.peaks (0.77, 3.32, 27.55 ppm; 6.70 A): 7 out of 10 assignments used, quality = 1.00: QD1 LEU 96 + HB3 CYS 73 OK 99 100 100 99 2.2-6.1 ~11693=71, 9986/1.8=48...(19) QG1 VAL 93 + HB3 CYS 73 OK 81 81 100 100 1.9-5.1 2.1/9581=85, ~9955=84...(27) HG12 ILE 129 + HB3 CYS 73 OK 81 81 100 100 3.7-6.9 ~10462=64, ~10463=48...(18) QD2 LEU 96 + HB3 CYS 73 OK 78 78 100 100 2.0-6.1 11693/3.4=63...(20) QD1 ILE 37 + HB3 CYS 73 OK 48 99 70 69 5.5-10.0 10771/2333=25...(11) QD2 LEU 43 + HB3 CYS 73 OK 25 90 65 42 6.0-9.7 9129/9095=13...(7) QD2 LEU 49 + HB3 CYS 73 OK 24 68 85 42 6.4-8.4 11061/11063=22...(5) QD2 LEU 122 - HB3 CYS 73 lone 6 90 60 12 6.3-10.5 2228/2233=2...(5) QD1 ILE 32 - HB3 CYS 73 far 5 99 5 - 5.9-12.8 QD1 LEU 53 - HB3 CYS 73 far 0 76 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 9580 from cnoeabs.peaks (0.63, 3.32, 27.55 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HB3 CYS 73 OK 100 100 100 100 2.4-7.7 9104/3.8=84, ~11565=68...(27) QD1 ILE 129 + HB3 CYS 73 OK 99 99 100 100 2.5-5.7 11709/2233=88...(31) Violated in 0 structures by 0.00 A. Peak 9581 from cnoeabs.peaks (0.29, 3.32, 27.55 ppm; 5.55 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 93 + HB3 CYS 73 OK 99 99 100 100 1.7-4.1 9955/3.0=89, ~9961=84...(34) QD1 ILE 80 + HB3 CYS 73 OK 38 65 70 82 5.7-8.3 9571/3.0=32, 9573/1.8=27...(17) Violated in 0 structures by 0.00 A. Peak 9590 from cnoeabs.peaks (0.78, 4.29, 61.42 ppm; 4.84 A): 3 out of 17 assignments used, quality = 0.97: QD1 LEU 96 + HA SER 74 OK 85 100 95 90 4.2-6.9 11710=37, 11130/3.0=32...(15) QG1 VAL 93 + HA SER 74 OK 65 65 100 99 1.8-3.7 9608/4.9=47, ~9576=44...(19) QD2 LEU 96 + HA SER 74 OK 52 63 100 82 4.5-5.7 2.1/11710=30, ~11130=22...(16) QD1 ILE 32 - HA SER 74 far 5 100 5 - 3.7-15.5 HG12 ILE 129 - HA SER 74 far 3 65 5 - 6.3-9.2 QD1 ILE 32 - HA THR 25 lone 3 98 25 13 3.1-11.2 10704/11150=5...(4) QG1 VAL 63 - HA THR 25 far 0 96 0 - 6.6-18.8 QD1 ILE 37 - HA SER 74 far 0 100 0 - 7.5-13.0 QD2 LEU 49 - HA THR 25 far 0 78 0 - 7.8-17.8 QD1 ILE 37 - HA THR 25 far 0 98 0 - 8.3-19.2 QG1 VAL 93 - HA THR 25 far 0 61 0 - 8.6-22.2 QD2 LEU 122 - HA SER 74 far 0 97 0 - 8.6-12.9 QD1 LEU 53 - HA THR 25 far 0 84 0 - 8.9-21.2 QD2 LEU 43 - HA THR 25 far 0 74 0 - 9.3-24.5 QD2 LEU 119 - HA THR 25 far 0 69 0 - 9.3-21.4 QD2 LEU 43 - HA SER 74 far 0 78 0 - 9.6-12.8 QD2 LEU 49 - HA SER 74 far 0 83 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 9591 from cnoeabs.peaks (0.28, 4.29, 61.42 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA SER 74 OK 100 100 100 100 2.0-3.5 9576/2.9=97...(31) QD1 ILE 80 + HA SER 74 OK 77 90 100 85 6.0-8.1 9719/9592=61...(12) Violated in 0 structures by 0.00 A. Peak 9592 from cnoeabs.peaks (1.03, 4.29, 61.42 ppm; 6.07 A): 2 out of 7 assignments used, quality = 0.68: QG1 VAL 77 + HA SER 74 OK 59 60 100 99 3.1-4.5 9593/3.6=66...(19) QD1 LEU 69 + HA SER 74 OK 20 76 50 53 6.3-9.8 9577/2.9=27...(5) QG2 VAL 118 - HA THR 25 far 4 74 5 - 7.4-23.9 QG2 VAL 105 - HA THR 25 far 0 59 0 - 8.3-25.3 QD1 LEU 69 - HA THR 25 far 0 71 0 - 8.8-18.7 QG2 VAL 133 - HA SER 74 far 0 98 0 - 8.9-11.1 QG2 VAL 133 - HA THR 25 far 0 95 0 - 9.3-25.4 Violated in 0 structures by 0.00 A. Peak 9602 from cnoeabs.peaks (1.59, 4.32, 45.60 ppm; 6.44 A): 0 out of 1 assignment used, quality = 0.00: HG LEU 70 - HA2 GLY 75 far 4 87 5 - 7.8-11.7 Violated in 20 structures by 3.95 A. Peak 9603 from cnoeabs.peaks (1.06, 4.32, 45.60 ppm; 6.12 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HA2 GLY 75 OK 100 100 100 100 4.3-5.5 9611/3.5=88, 9592/4.9=79...(14) QG2 VAL 133 - HA2 GLY 75 far 0 76 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 9604 from cnoeabs.peaks (0.78, 4.32, 45.60 ppm; 5.01 A): 2 out of 7 assignments used, quality = 0.90: QD1 ILE 37 + HA2 GLY 75 OK 78 100 80 98 4.8-12.4 9026/2.9=66...(14) QG1 VAL 93 + HA2 GLY 75 OK 54 65 85 97 5.8-7.0 9608/1.8=86, 9595/2.9=31...(10) QD1 ILE 32 - HA2 GLY 75 far 5 100 5 - 2.4-15.2 QD1 LEU 96 - HA2 GLY 75 far 0 100 0 - 7.3-10.0 QD2 LEU 96 - HA2 GLY 75 far 0 63 0 - 8.0-9.3 QD2 LEU 43 - HA2 GLY 75 far 0 78 0 - 9.4-13.5 HG12 ILE 129 - HA2 GLY 75 far 0 65 0 - 9.9-12.9 Violated in 12 structures by 0.34 A. Peak 9606 from cnoeabs.peaks (1.14, 3.90, 45.60 ppm; 6.58 A): 0 out of 2 assignments used, quality = 0.00: HG12 ILE 32 - HA3 GLY 75 far 4 71 5 - 5.1-20.3 QG2 VAL 132 - HA3 GLY 75 far 0 100 0 - 10.0-12.7 Violated in 19 structures by 3.90 A. Peak 9608 from cnoeabs.peaks (0.77, 3.90, 45.60 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.54: QG1 VAL 93 + HA3 GLY 75 OK 54 76 90 79 5.6-6.5 9604/1.8=29, 9595/2.9=28...(10) QD1 ILE 32 - HA3 GLY 75 far 5 100 5 - 3.0-16.4 QD1 ILE 37 - HA3 GLY 75 far 5 99 5 - 6.0-13.6 QD1 LEU 96 - HA3 GLY 75 far 0 100 0 - 7.4-10.2 QD2 LEU 96 - HA3 GLY 75 far 0 73 0 - 8.0-9.1 HG12 ILE 129 - HA3 GLY 75 far 0 76 0 - 9.8-12.9 Violated in 20 structures by 1.16 A. Peak 9615 from cnoeabs.peaks (0.63, 4.31, 59.97 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HA TYR 76 OK 100 100 100 100 4.0-6.2 9609/3.0=79, 9635/3.0=74...(25) QD1 ILE 129 - HA TYR 76 far 0 97 0 - 8.4-10.8 Violated in 8 structures by 0.24 A. Peak 9616 from cnoeabs.peaks (1.18, 4.31, 59.97 ppm; 6.67 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 77 + HA TYR 76 OK 100 100 100 100 5.9-6.1 7044/3.6=100, ~9611=80...(25) QB ALA 41 + HA TYR 76 OK 47 97 50 98 7.0-11.2 10819/11155=92...(7) HG3 LYS 39 - HA TYR 76 far 7 71 10 - 7.6-11.1 QG2 THR 18 - HA TYR 76 far 5 97 5 - 5.4-31.7 HG12 ILE 32 - HA TYR 76 far 0 85 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. Peak 9617 from cnoeabs.peaks (0.64, 2.76, 40.72 ppm; 5.35 A): 2 out of 4 assignments used, quality = 0.99: QD1 LEU 42 + HB2 TYR 76 OK 99 99 100 100 2.1-4.6 9635/1.8=94, 9615/3.0=77...(22) QD1 ILE 129 + HB2 TYR 76 OK 29 100 35 83 5.9-9.7 11706/11165=40...(15) QD1 ILE 129 - HB2 ASP 131 far 8 77 10 - 6.2-8.0 QD1 LEU 42 - HB2 ASP 131 far 0 74 0 - 7.8-11.1 Violated in 0 structures by 0.00 A. Peak 9619 from cnoeabs.peaks (2.31, 2.76, 40.72 ppm; 6.22 A): 2 out of 5 assignments used, quality = 0.88: HB VAL 77 + HB2 TYR 76 OK 73 73 100 100 4.2-6.6 7042/4.5=69, ~11171=65...(21) HB3 GLN 134 + HB2 ASP 131 OK 56 59 95 100 6.5-8.1 4194/3.0=82, ~4266=70...(11) HG2 GLU 30 - HB2 TYR 76 far 0 76 0 - 8.6-25.5 HG2 GLU 40 - HB2 TYR 76 far 0 100 0 - 9.6-12.8 HG3 GLN 68 - HB2 TYR 76 far 0 95 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 9625 from cnoeabs.peaks (3.40, 6.47, 116.95 ppm; 6.32 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QE TYR 76 OK 100 100 100 100 1.9-6.1 9036=99, 10578/10558=84...(21) Violated in 0 structures by 0.00 A. Peak 9627 from cnoeabs.peaks (2.74, 6.47, 116.95 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.99: HB2 TYR 76 + QE TYR 76 OK 90 90 100 100 4.4-4.5 4.5=100 HB2 CYS 73 + QE TYR 76 OK 84 100 85 99 5.9-9.2 ~11126=68, ~11146=44...(18) HB3 ASP 78 + QE TYR 76 OK 58 100 60 98 7.6-8.6 9693/11170=67...(11) HB3 ASP 35 - QE TYR 76 far 5 99 5 - 8.2-16.1 HB2 ASP 131 - QE TYR 76 far 0 60 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 9628 from cnoeabs.peaks (2.08, 6.47, 116.95 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: HB3 LYS 39 + QE TYR 76 OK 100 100 100 100 1.8-5.5 3.0/9036=97, 9037=93...(14) HG3 GLN 134 + QE TYR 76 OK 89 100 90 99 6.1-9.4 10599/10555=84...(10) HG3 PRO 81 + QE TYR 76 OK 53 57 100 92 3.4-6.8 11226/9746=44...(18) HB3 GLN 82 - QE TYR 76 far 15 97 15 - 7.3-10.9 HB VAL 126 - QE TYR 76 far 0 76 0 - 9.1-13.0 HB3 GLN 27 - QE TYR 76 far 0 81 0 - 9.7-25.1 Violated in 0 structures by 0.00 A. Peak 9629 from cnoeabs.peaks (1.75, 6.47, 116.95 ppm; 6.00 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 39 + QE TYR 76 OK 97 97 100 100 1.9-6.4 11767/10555=88...(14) HB ILE 80 + QE TYR 76 OK 95 95 100 100 2.9-5.2 3.2/9746=97, 9738=89...(28) HG13 ILE 129 + QE TYR 76 OK 24 99 25 96 6.9-9.8 11768/10558=75...(12) HB2 LEU 43 - QE TYR 76 poor 15 76 20 - 6.9-8.8 HG3 ARG 90 - QE TYR 76 far 4 87 5 - 7.5-11.5 HB2 ARG 23 - QE TYR 76 far 0 100 0 - 9.4-28.8 HB2 LYS 19 - QE TYR 76 far 0 100 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 9630 from cnoeabs.peaks (1.18, 6.47, 116.95 ppm; 5.66 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 77 + QE TYR 76 OK 100 100 100 100 4.6-6.0 2.1/11170=73, ~11171=59...(27) QB ALA 41 + QE TYR 76 OK 74 97 80 96 4.9-9.4 9042/9034=63...(14) HG3 LYS 39 + QE TYR 76 OK 71 71 100 100 2.8-6.0 4.0/9036=72, 2.9/9037=66...(18) QG2 THR 18 - QE TYR 76 far 5 97 5 - 4.9-30.5 QG2 THR 25 - QE TYR 76 far 0 99 0 - 9.6-24.3 Violated in 0 structures by 0.00 A. Peak 9631 from cnoeabs.peaks (1.04, 6.47, 116.95 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QE TYR 76 OK 100 100 100 100 1.9-4.9 10555=97, 2.1/10558=88...(32) QG1 VAL 77 - QE TYR 76 poor 18 89 20 - 6.0-6.8 Violated in 1 structures by 0.00 A. Peak 9632 from cnoeabs.peaks (0.83, 6.47, 116.95 ppm; 4.14 A): 4 out of 7 assignments used, quality = 1.00: QG1 VAL 133 + QE TYR 76 OK 100 100 100 100 1.9-4.1 10558=91, 2.1/10555=80...(29) HG13 ILE 80 + QE TYR 76 OK 86 96 90 100 1.9-5.8 2.1/9746=84, 3.0/9738=36...(29) QG2 ILE 129 + QE TYR 76 OK 81 93 95 92 3.9-5.8 10486/9109=26...(28) QG2 ILE 80 + QE TYR 76 OK 78 78 100 99 1.8-4.7 3.1/9746=69, 4.0/9704=39...(34) QG2 ILE 32 - QE TYR 76 far 0 85 0 - 8.4-14.6 QD2 LEU 70 - QE TYR 76 far 0 81 0 - 9.2-12.2 QD1 LEU 70 - QE TYR 76 far 0 89 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 9633 from cnoeabs.peaks (0.25, 6.47, 116.95 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.92: QD1 ILE 80 + QE TYR 76 OK 92 92 100 100 1.9-5.4 9746=86, 10586/10558=52...(48) Violated in 3 structures by 0.07 A. Peak 9634 from cnoeabs.peaks (0.63, 6.47, 116.95 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + QE TYR 76 OK 99 99 100 100 2.3-5.5 9635/4.5=83, 9615/4.7=83...(29) QD1 ILE 129 + QE TYR 76 OK 75 92 85 96 6.5-8.7 10456/11168=61...(15) Violated in 0 structures by 0.00 A. Peak 9635 from cnoeabs.peaks (0.64, 3.13, 40.72 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HB3 TYR 76 OK 100 100 100 100 2.0-4.1 9092=81, 9617/1.8=81...(25) QD1 ILE 129 - HB3 TYR 76 far 5 99 5 - 6.1-9.0 Violated in 0 structures by 0.00 A. Peak 9643 from cnoeabs.peaks (0.27, 3.45, 65.53 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HA VAL 77 OK 100 100 100 100 1.7-2.9 9725=97, 9719/3.2=43...(47) QG2 VAL 93 + HA VAL 77 OK 58 76 85 90 4.2-5.9 9969/2401=31...(18) Violated in 0 structures by 0.00 A. Peak 9644 from cnoeabs.peaks (1.43, 3.45, 65.53 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 86 + HA VAL 77 OK 99 99 100 100 3.3-5.5 9650/3.2=99...(36) QB ALA 92 + HA VAL 77 OK 82 100 85 96 7.4-8.5 11394/9667=73...(9) QB ALA 34 - HA VAL 77 lone 1 97 25 3 5.8-14.7 Violated in 0 structures by 0.00 A. Peak 9645 from cnoeabs.peaks (1.74, 3.45, 65.53 ppm; 5.28 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 80 + HA VAL 77 OK 100 100 100 100 2.1-5.2 3.2/9725=91, 9730=77...(41) HG3 ARG 90 + HA VAL 77 OK 54 97 55 100 4.2-7.6 11303/2401=82...(31) HG13 ILE 129 - HA VAL 77 far 15 100 15 - 6.2-9.5 HB2 LYS 39 - HA VAL 77 far 0 85 0 - 8.1-12.4 HD3 LYS 39 - HA VAL 77 far 0 60 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 9646 from cnoeabs.peaks (0.80, 2.33, 31.62 ppm; 5.10 A): 3 out of 6 assignments used, quality = 0.98: QG2 ILE 129 + HB VAL 77 OK 81 87 100 94 4.2-5.7 10457/9671=49, 11239=39...(15) QG2 ILE 80 + HB VAL 77 OK 78 97 80 100 3.8-7.2 ~9725=49, ~9719=43...(50) HG13 ILE 80 + HB VAL 77 OK 46 83 55 100 5.7-7.6 ~9725=64, ~9719=54...(46) QD1 ILE 32 - HB VAL 77 far 3 65 5 - 6.4-17.5 QD1 LEU 70 - HB VAL 77 far 0 92 0 - 6.8-10.5 QD1 ILE 37 - HB VAL 77 far 0 71 0 - 7.6-14.4 Violated in 1 structures by 0.00 A. Peak 9647 from cnoeabs.peaks (0.28, 2.33, 31.62 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB VAL 77 OK 99 99 100 100 2.9-4.9 9725/3.0=86, 9719/2.1=68...(49) QG2 VAL 93 + HB VAL 77 OK 95 96 100 100 2.6-3.9 9969/2.1=78...(18) Violated in 0 structures by 0.00 A. Peak 9648 from cnoeabs.peaks (0.28, 1.06, 19.25 ppm; 4.82 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QG1 VAL 77 OK 99 99 100 100 3.4-4.7 9969/2.1=84...(35) QD1 ILE 80 + QG1 VAL 77 OK 96 96 100 100 2.9-4.4 9725/3.2=82, 9719=66...(65) Violated in 0 structures by 0.00 A. Peak 9649 from cnoeabs.peaks (0.27, 1.18, 22.07 ppm; 3.52 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + QG2 VAL 77 OK 100 100 100 100 1.7-3.3 9725/2401=55...(62) QG2 VAL 93 + QG2 VAL 77 OK 74 76 100 97 2.1-4.2 9969=36, 9648/2.1=28...(28) Violated in 0 structures by 0.00 A. Peak 9650 from cnoeabs.peaks (1.42, 1.06, 19.25 ppm; 3.93 A): 1 out of 6 assignments used, quality = 0.95: HG2 LYS 86 + QG1 VAL 77 OK 95 100 95 100 3.1-6.0 11742/2.1=80...(36) QB ALA 34 - QG1 VAL 77 far 0 100 0 - 5.5-12.8 QB ALA 92 - QG1 VAL 77 far 0 99 0 - 6.6-7.8 HG LEU 96 - QG1 VAL 77 far 0 68 0 - 7.8-9.9 HG13 ILE 32 - QG1 VAL 77 far 0 92 0 - 8.5-20.7 QB ALA 16 - QG1 VAL 77 far 0 85 0 - 9.1-31.0 Violated in 13 structures by 0.46 A. Peak 9651 from cnoeabs.peaks (1.72, 1.06, 19.25 ppm; 4.03 A): 2 out of 6 assignments used, quality = 0.98: HG3 ARG 90 + QG1 VAL 77 OK 93 98 95 100 3.2-6.0 1.8/9652=77, 11932=68...(27) HB ILE 80 + QG1 VAL 77 OK 65 93 70 100 4.2-7.0 3.2/9719=47, 9663/2.1=39...(41) HG13 ILE 129 - QG1 VAL 77 far 0 81 0 - 6.3-9.2 HB2 LEU 70 - QG1 VAL 77 far 0 96 0 - 8.2-10.9 HB3 LEU 70 - QG1 VAL 77 far 0 98 0 - 8.7-10.9 HB2 LYS 31 - QG1 VAL 77 far 0 83 0 - 10.0-24.0 Violated in 8 structures by 0.14 A. Peak 9652 from cnoeabs.peaks (2.01, 1.06, 19.25 ppm; 4.22 A): 1 out of 8 assignments used, quality = 0.99: HG2 ARG 90 + QG1 VAL 77 OK 99 99 100 100 4.2-5.4 9662/2.1=88...(26) HB3 GLU 30 - QG1 VAL 77 far 5 100 5 - 4.0-24.8 HB2 GLU 91 - QG1 VAL 77 far 0 83 0 - 7.1-9.0 HB3 GLU 91 - QG1 VAL 77 far 0 87 0 - 7.6-9.6 HB ILE 129 - QG1 VAL 77 far 0 96 0 - 8.0-9.2 HB3 MET 11 - QG1 VAL 77 far 0 99 0 - 8.6-38.1 HG2 PRO 81 - QG1 VAL 77 far 0 90 0 - 8.8-10.5 QE MET 11 - QG1 VAL 77 far 0 68 0 - 9.2-32.8 Violated in 20 structures by 0.64 A. Peak 9653 from cnoeabs.peaks (2.52, 1.06, 19.25 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.99: HB2 ASP 78 + QG1 VAL 77 OK 99 99 100 100 2.8-4.5 7055/7052=87, 9692=84...(16) HG3 MET 11 - QG1 VAL 77 far 0 100 0 - 9.3-38.4 Violated in 0 structures by 0.00 A. Peak 9654 from cnoeabs.peaks (2.75, 1.06, 19.25 ppm; 4.49 A): 3 out of 5 assignments used, quality = 0.99: HB3 ASP 78 + QG1 VAL 77 OK 97 97 100 100 2.8-4.2 7056/7052=83...(24) HB2 TYR 76 + QG1 VAL 77 OK 53 97 55 100 4.9-6.5 4.5/7043=61, 3.8/9611=52...(24) HB2 CYS 73 + QG1 VAL 77 OK 41 100 45 91 5.4-7.1 9588/9592=28...(19) HB3 ASP 35 - QG1 VAL 77 far 0 100 0 - 8.3-18.9 HB2 CYS 125 - QG1 VAL 77 far 0 96 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 9656 from cnoeabs.peaks (3.17, 1.06, 19.25 ppm; 4.15 A): 2 out of 3 assignments used, quality = 0.99: HD3 ARG 90 + QG1 VAL 77 OK 95 100 95 100 2.2-5.7 2.9/11842=65...(33) HD2 ARG 90 + QG1 VAL 77 OK 90 100 90 100 2.9-6.5 2.9/11842=65...(33) HB2 HIS 10 - QG1 VAL 77 far 0 100 0 - 7.9-39.3 Violated in 2 structures by 0.10 A. Peak 9659 from cnoeabs.peaks (3.17, 1.18, 22.07 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 90 + QG2 VAL 77 OK 100 100 100 100 1.8-5.1 3.0/9662=63, 2.9/9676=58...(38) HD3 ARG 90 + QG2 VAL 77 OK 100 100 100 100 2.1-4.8 3.0/9662=63, 2.9/9676=58...(37) HD2 ARG 84 - QG2 VAL 77 far 0 73 0 - 7.7-12.1 HD3 ARG 84 - QG2 VAL 77 far 0 73 0 - 7.9-11.5 Violated in 3 structures by 0.05 A. Peak 9660 from cnoeabs.peaks (2.94, 1.18, 22.07 ppm; 4.86 A): 1 out of 5 assignments used, quality = 0.92: HE3 LYS 86 + QG2 VAL 77 OK 92 92 100 100 3.4-5.3 1.8/11196=97...(22) HG CYS 73 - QG2 VAL 77 far 5 99 5 - 6.0-8.5 HD2 ARG 135 - QG2 VAL 77 far 0 99 0 - 7.7-12.3 HE3 LYS 39 - QG2 VAL 77 far 0 89 0 - 8.4-13.0 HE2 LYS 39 - QG2 VAL 77 far 0 95 0 - 9.1-13.4 Violated in 5 structures by 0.05 A. Peak 9662 from cnoeabs.peaks (2.01, 1.18, 22.07 ppm; 3.60 A): 1 out of 8 assignments used, quality = 0.96: HG2 ARG 90 + QG2 VAL 77 OK 96 96 100 100 2.7-4.4 9652/2.1=59...(27) HB2 GLU 91 - QG2 VAL 77 far 0 90 0 - 6.0-7.0 HB ILE 129 - QG2 VAL 77 far 0 99 0 - 6.4-7.7 HB3 GLU 30 - QG2 VAL 77 far 0 98 0 - 6.5-24.4 HG2 PRO 81 - QG2 VAL 77 far 0 96 0 - 6.7-8.9 HB3 GLU 91 - QG2 VAL 77 far 0 78 0 - 6.9-8.0 HG3 ARG 135 - QG2 VAL 77 far 0 78 0 - 8.0-10.7 HB3 MET 11 - QG2 VAL 77 far 0 96 0 - 9.7-37.8 Violated in 9 structures by 0.27 A. Peak 9663 from cnoeabs.peaks (1.73, 1.18, 22.07 ppm; 3.38 A): 2 out of 8 assignments used, quality = 1.00: HG3 ARG 90 + QG2 VAL 77 OK 100 100 100 100 1.8-4.0 1.8/9662=69, 11303=53...(29) HB ILE 80 + QG2 VAL 77 OK 89 99 90 99 2.7-5.3 3.2/9649=29...(42) HG13 ILE 129 - QG2 VAL 77 poor 19 95 20 - 4.6-6.8 HG2 ARG 135 - QG2 VAL 77 far 0 81 0 - 8.4-12.0 HB2 LEU 70 - QG2 VAL 77 far 0 83 0 - 8.7-11.4 HB2 LYS 39 - QG2 VAL 77 far 0 57 0 - 8.8-12.4 HD3 LYS 39 - QG2 VAL 77 far 0 87 0 - 9.0-12.7 HB3 LEU 70 - QG2 VAL 77 far 0 89 0 - 9.0-11.5 Violated in 3 structures by 0.02 A. Peak 9666 from cnoeabs.peaks (7.40, 3.45, 65.53 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + HA VAL 77 OK 100 100 100 100 2.8-4.3 9671/3.0=80...(30) Violated in 0 structures by 0.00 A. Peak 9667 from cnoeabs.peaks (7.07, 3.45, 65.53 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 89 + HA VAL 77 OK 100 100 100 100 3.1-4.0 9677/2401=87...(30) HE ARG 135 - HA VAL 77 far 0 93 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 9668 from cnoeabs.peaks (6.96, 3.45, 65.53 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.99: H ILE 80 + HA VAL 77 OK 99 99 100 100 2.9-3.6 9712=82, 7077/9725=77...(16) Violated in 0 structures by 0.00 A. Peak 9669 from cnoeabs.peaks (6.48, 3.45, 65.53 ppm; 5.14 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HA VAL 77 OK 99 99 100 100 3.9-5.3 9746/9725=72...(30) QD TYR 76 + HA VAL 77 OK 78 78 100 100 2.6-4.4 11169/2401=41...(36) Violated in 0 structures by 0.00 A. Peak 9670 from cnoeabs.peaks (8.04, 2.33, 31.62 ppm; 4.80 A): 2 out of 3 assignments used, quality = 1.00: H TYR 76 + HB VAL 77 OK 100 100 100 100 4.2-5.0 3.1/7042=90, 9611/2.1=79...(26) H CYS 79 + HB VAL 77 OK 100 100 100 100 5.2-5.7 9697/2.1=82...(18) H SER 130 - HB VAL 77 far 0 97 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 9671 from cnoeabs.peaks (7.40, 2.33, 31.62 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + HB VAL 77 OK 100 100 100 100 1.9-3.5 9676/2.1=76, 2.2/9672=70...(22) Violated in 0 structures by 0.00 A. Peak 9672 from cnoeabs.peaks (7.06, 2.33, 31.62 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + HB VAL 77 OK 100 100 100 100 2.2-3.8 9677/2.1=87, 2.2/9671=71...(29) Violated in 0 structures by 0.00 A. Peak 9673 from cnoeabs.peaks (7.38, 1.06, 19.25 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.90: QE PHE 89 + QG1 VAL 77 OK 90 90 100 100 3.6-4.9 2.2/9674=79, 9671/2.1=73...(24) Violated in 4 structures by 0.06 A. Peak 9674 from cnoeabs.peaks (7.05, 1.06, 19.25 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 89 + QG1 VAL 77 OK 96 96 100 100 3.4-4.5 9677/2.1=92, 9672/2.1=77...(32) Violated in 4 structures by 0.02 A. Peak 9675 from cnoeabs.peaks (8.04, 1.06, 19.25 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: H TYR 76 + QG1 VAL 77 OK 99 99 100 100 4.2-5.0 3.1/7043=73, 9611=66...(26) H CYS 79 + QG1 VAL 77 OK 99 99 100 100 4.1-4.5 7059/7052=73, 9697=71...(21) H SER 130 - QG1 VAL 77 far 0 100 0 - 9.4-10.8 Violated in 3 structures by 0.01 A. Peak 9676 from cnoeabs.peaks (7.36, 1.18, 22.07 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.99: HE ARG 90 + QG2 VAL 77 OK 99 99 100 100 2.0-4.3 11841=95, 11842/2.1=63...(21) Violated in 7 structures by 0.08 A. Peak 9677 from cnoeabs.peaks (7.06, 1.18, 22.07 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 89 + QG2 VAL 77 OK 100 100 100 100 1.8-2.2 2.2/9676=60, 9672/2.1=52...(32) HE ARG 135 - QG2 VAL 77 far 0 97 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 9678 from cnoeabs.peaks (8.07, 1.18, 22.07 ppm; 4.50 A): 2 out of 3 assignments used, quality = 0.92: H CYS 79 + QG2 VAL 77 OK 73 73 100 99 4.6-5.3 4.6/7053=54...(21) H TYR 76 + QG2 VAL 77 OK 70 73 95 100 5.3-6.0 3.1/7044=79, ~7043=50...(24) HD22 ASN 85 - QG2 VAL 77 far 14 92 15 - 5.4-9.6 Violated in 16 structures by 0.15 A. Peak 9684 from cnoeabs.peaks (4.08, 3.45, 65.53 ppm; 6.80 A): 4 out of 4 assignments used, quality = 1.00: HA PHE 89 + HA VAL 77 OK 100 100 100 100 5.7-6.9 3.1/9667=98, 4.7/9666=83...(25) HA CYS 79 + HA VAL 77 OK 81 81 100 100 5.9-6.4 2.9/9702=96, 3.6/9668=93...(12) HB2 SER 74 + HA VAL 77 OK 31 89 35 100 7.5-9.4 ~9592=75, 11187/3.2=60...(13) HB3 SER 74 + HA VAL 77 OK 27 90 30 100 7.7-9.3 ~9592=75, ~11187=53...(14) Violated in 0 structures by 0.00 A. Peak 9692 from cnoeabs.peaks (1.07, 2.51, 39.87 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 77 + HB2 ASP 78 OK 99 99 100 100 2.8-4.5 9653=97, 7052/7055=95...(16) QG2 VAL 133 - HB2 ASP 78 far 0 68 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 9693 from cnoeabs.peaks (1.05, 2.74, 39.87 ppm; 4.99 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 77 + HB3 ASP 78 OK 100 100 100 100 2.8-4.2 7052/7056=94...(24) QG1 VAL 77 - HB3 ASP 35 far 0 55 0 - 8.3-18.9 QG2 VAL 133 - HB3 ASP 78 far 0 92 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 9694 from cnoeabs.peaks (1.41, 2.74, 39.87 ppm; 6.80 A): 3 out of 22 assignments used, quality = 0.96: HG2 LYS 86 + HB3 ASP 78 OK 88 99 90 99 6.3-9.0 9650/9693=82...(5) QB ALA 34 + HB3 ASP 35 OK 55 55 100 100 3.5-5.7 10885/3.0=99...(7) QB ALA 108 + HB2 ASP 64 OK 20 46 50 88 3.2-16.3 11883/3.0=75...(4) HG13 ILE 32 - HB2 ASP 64 poor 15 50 30 - 4.5-15.5 HG3 LYS 31 - HB2 ASP 64 poor 15 59 25 - 5.2-20.1 HG2 LYS 26 - HB3 ASP 35 poor 14 40 35 - 3.1-25.6 HG13 ILE 32 - HB3 ASP 35 poor 11 31 35 - 6.8-12.6 QB ALA 16 - HB3 ASP 78 far 10 99 10 - 7.6-37.3 QB ALA 16 - HB3 ASP 35 far 8 53 15 - 6.0-28.9 QB ALA 109 - HB2 ASP 64 poor 7 54 40 32 6.4-18.1 9409/3.9=20...(3) HG2 LYS 26 - HB2 ASP 64 far 6 63 10 - 3.7-22.9 HG3 LYS 31 - HB3 ASP 35 far 6 37 15 - 6.3-14.2 HG2 LYS 31 - HB2 ASP 64 far 4 44 10 - 6.2-20.0 QB ALA 34 - HB2 ASP 64 far 4 82 5 - 8.1-17.7 QB ALA 16 - HB2 ASP 64 far 4 80 5 - 8.2-26.8 HG2 LYS 31 - HB3 ASP 35 far 3 27 10 - 7.2-14.7 QB ALA 28 - HB2 ASP 64 lone 1 44 55 4 5.2-18.3 QB ALA 34 - HB3 ASP 78 lone 1 99 25 3 5.4-15.0 QB ALA 28 - HB3 ASP 78 far 0 60 0 - 9.0-26.6 HG13 ILE 32 - HB3 ASP 78 far 0 68 0 - 9.1-25.7 QB ALA 28 - HB3 ASP 35 far 0 27 0 - 9.7-15.0 HG3 LYS 31 - HB3 ASP 78 far 0 78 0 - 9.7-29.5 Violated in 0 structures by 0.00 A. Peak 9695 from cnoeabs.peaks (1.04, 4.38, 55.75 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.89: QG1 VAL 77 + HA ASP 78 OK 89 89 100 100 2.9-3.2 11189=77, 7052/2.9=75...(22) QG2 VAL 133 - HA ASP 78 far 0 100 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 9705 from cnoeabs.peaks (6.49, 2.61, 27.19 ppm; 4.95 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 76 + HB3 CYS 79 OK 91 93 100 98 2.5-6.2 9706/1.8=69, 9704/4.4=47...(12) QD TYR 76 + HB3 CYS 79 OK 88 90 100 97 2.9-6.1 ~9706=59, 3.1/11911=38...(14) Violated in 4 structures by 0.06 A. Peak 9706 from cnoeabs.peaks (6.48, 1.84, 27.19 ppm; 6.05 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HB2 CYS 79 OK 100 100 100 100 3.2-5.4 9704/4.4=73...(14) QD TYR 76 + HB2 CYS 79 OK 68 68 100 100 2.1-5.4 9705/1.8=52...(15) Violated in 0 structures by 0.00 A. Peak 9713 from cnoeabs.peaks (1.41, 1.74, 38.49 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.95: HG2 LYS 86 + HB ILE 80 OK 95 95 100 100 1.9-5.0 1.8/11167=74...(40) QB ALA 34 - HB ILE 80 far 0 97 0 - 6.9-17.1 QB ALA 92 - HB ILE 80 far 0 78 0 - 8.6-9.8 HB2 LEU 42 - HB ILE 80 far 0 60 0 - 9.0-12.9 Violated in 0 structures by 0.00 A. Peak 9714 from cnoeabs.peaks (2.25, 0.82, 16.92 ppm; 5.29 A): 3 out of 12 assignments used, quality = 0.99: HB3 LEU 96 + QG2 ILE 129 OK 87 97 90 100 4.8-7.3 11354/4163=60...(35) HB3 GLU 128 + QG2 ILE 129 OK 81 81 100 100 5.5-6.7 3.0/10443=56...(25) HB2 PRO 81 + QG2 ILE 80 OK 65 65 100 100 4.0-6.1 ~11784=55, ~11168=51...(40) HG2 GLU 91 - QG2 ILE 129 far 0 85 0 - 7.0-9.2 HB3 GLN 127 - QG2 ILE 129 far 0 83 0 - 7.1-7.8 HG2 GLU 97 - QG2 ILE 129 far 0 71 0 - 7.6-9.8 HB2 PRO 81 - QG2 ILE 129 far 0 98 0 - 7.7-10.5 HG2 GLN 68 - QG2 ILE 129 far 0 92 0 - 9.0-12.4 HB3 LEU 96 - QG2 ILE 80 far 0 64 0 - 9.1-14.4 HG2 GLU 91 - QG2 ILE 80 far 0 52 0 - 9.3-11.6 HB2 GLN 68 - QG2 ILE 129 far 0 65 0 - 9.9-12.5 HB3 GLU 128 - QG2 ILE 80 far 0 49 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 9715 from cnoeabs.peaks (2.45, 0.82, 16.92 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.77: HG3 GLN 82 + QG2 ILE 80 OK 55 69 80 99 3.6-9.2 2.9/11310=72...(12) HG2 GLN 82 + QG2 ILE 80 OK 48 61 80 99 3.4-9.7 2.9/11310=72...(13) HG2 GLN 82 - QG2 ILE 129 far 5 95 5 - 8.2-13.7 HG3 GLN 82 - QG2 ILE 129 far 0 100 0 - 8.4-13.5 HG2 MET 11 - QG2 ILE 80 far 0 61 0 - 8.7-38.7 Violated in 5 structures by 0.27 A. Peak 9719 from cnoeabs.peaks (1.05, 0.27, 13.24 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + QD1 ILE 80 OK 99 99 100 100 2.9-4.4 3.2/9725=69, 2.1/9649=51...(64) QG2 VAL 133 + QD1 ILE 80 OK 66 95 70 100 3.3-7.5 10588=89, 10555/9746=55...(41) Violated in 2 structures by 0.00 A. Peak 9720 from cnoeabs.peaks (1.43, 0.27, 13.24 ppm; 4.70 A): 2 out of 4 assignments used, quality = 0.99: HG2 LYS 86 + QD1 ILE 80 OK 99 99 100 100 1.6-3.6 1.8/11225=88...(50) QB ALA 92 + QD1 ILE 80 OK 48 100 50 97 5.7-8.5 11394/9747=36...(19) QB ALA 34 - QD1 ILE 80 far 0 97 0 - 6.3-13.1 QB ALA 16 - QD1 ILE 80 far 0 73 0 - 9.8-29.5 Violated in 0 structures by 0.00 A. Peak 9721 from cnoeabs.peaks (1.96, 0.27, 13.24 ppm; 5.44 A): 3 out of 4 assignments used, quality = 1.00: HB3 LYS 86 + QD1 ILE 80 OK 99 99 100 100 2.1-4.8 3.0/9727=96, 1.8/9822=93...(50) HB3 ARG 90 + QD1 ILE 80 OK 91 97 95 100 4.1-7.4 3.8/11183=66...(22) HB3 PRO 81 + QD1 ILE 80 OK 89 89 100 100 5.9-6.8 3.0/11178=70...(35) HB ILE 37 - QD1 ILE 80 far 0 99 0 - 8.8-12.9 Violated in 0 structures by 0.00 A. Peak 9722 from cnoeabs.peaks (2.31, 0.27, 13.24 ppm; 5.99 A): 2 out of 5 assignments used, quality = 0.87: HB VAL 77 + QD1 ILE 80 OK 71 71 100 100 2.9-4.9 3.0/9725=100...(48) HB VAL 132 + QD1 ILE 80 OK 57 60 95 100 2.3-8.6 11764/10588=77...(23) HB3 GLN 134 - QD1 ILE 80 far 0 83 0 - 8.0-11.6 HG2 GLU 30 - QD1 ILE 80 far 0 78 0 - 9.2-24.4 HG2 GLU 40 - QD1 ILE 80 far 0 100 0 - 9.4-14.6 Violated in 0 structures by 0.00 A. Peak 9723 from cnoeabs.peaks (2.71, 0.27, 13.24 ppm; 6.26 A): 2 out of 3 assignments used, quality = 0.97: HB2 ASN 85 + QD1 ILE 80 OK 93 93 100 100 2.9-7.0 1.8/11222=100...(22) HB3 ASP 78 + QD1 ILE 80 OK 54 57 100 94 4.8-7.5 4.3/9699=68, 4.1/9689=35...(10) HB2 CYS 125 - QD1 ILE 80 far 0 63 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 9724 from cnoeabs.peaks (3.32, 0.27, 13.24 ppm; 3.83 A): 2 out of 4 assignments used, quality = 1.00: HB2 PHE 89 + QD1 ILE 80 OK 94 99 95 100 1.9-5.6 2.7/9747=63, 4.5/9749=36...(32) HB3 PHE 89 + QD1 ILE 80 OK 94 95 100 99 1.9-4.8 2.7/9747=63, 4.5/9749=36...(27) HB3 CYS 73 - QD1 ILE 80 far 0 100 0 - 5.7-8.3 HB3 TYR 72 - QD1 ILE 80 far 0 83 0 - 7.4-10.6 Violated in 1 structures by 0.04 A. Peak 9725 from cnoeabs.peaks (3.44, 0.27, 13.24 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.99: HA VAL 77 + QD1 ILE 80 OK 99 99 100 100 1.7-2.9 9643=59, 3.2/9719=42...(48) HA ILE 129 + QD1 ILE 80 OK 21 78 30 87 4.9-9.1 10459/9747=20...(27) HA VAL 126 - QD1 ILE 80 far 0 99 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 9726 from cnoeabs.peaks (3.78, 0.27, 13.24 ppm; 4.87 A): 3 out of 7 assignments used, quality = 0.99: HA ARG 90 + QD1 ILE 80 OK 91 96 95 100 4.1-6.8 2.9/11183=63...(21) HA VAL 133 + QD1 ILE 80 OK 87 92 95 100 2.7-6.8 3.2/10588=80, 10590=78...(36) HA SER 130 + QD1 ILE 80 OK 32 100 35 91 5.6-9.5 11861/10588=62...(12) HA LEU 43 - QD1 ILE 80 far 0 100 0 - 7.9-13.3 HB3 SER 130 - QD1 ILE 80 far 0 99 0 - 8.0-12.0 HB3 SER 9 - QD1 ILE 80 far 0 76 0 - 8.3-43.8 HB2 SER 9 - QD1 ILE 80 far 0 78 0 - 9.8-43.3 Violated in 1 structures by 0.06 A. Peak 9727 from cnoeabs.peaks (3.89, 0.27, 13.24 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: HA LYS 86 + QD1 ILE 80 OK 100 100 100 100 1.6-3.7 9820=100, 3.7/9720=51...(50) HA3 GLY 75 - QD1 ILE 80 far 0 90 0 - 6.7-8.4 HB2 SER 94 - QD1 ILE 80 far 0 92 0 - 8.4-10.9 HA LEU 70 - QD1 ILE 80 far 0 99 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 9728 from cnoeabs.peaks (3.44, 1.21, 27.07 ppm; 6.07 A): 2 out of 2 assignments used, quality = 0.99: HA VAL 77 + HG12 ILE 80 OK 98 98 100 100 1.9-4.0 9725/2.1=100...(42) HA ILE 129 + HG12 ILE 80 OK 34 76 50 89 6.8-10.3 10485/2.1=30, ~2456=21...(12) Violated in 0 structures by 0.00 A. Peak 9729 from cnoeabs.peaks (3.89, 1.74, 38.49 ppm; 5.82 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 86 + HB ILE 80 OK 100 100 100 100 2.7-4.2 9727/3.2=97, 3.7/9713=75...(35) HA3 GLY 75 - HB ILE 80 far 0 90 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 9731 from cnoeabs.peaks (3.78, 0.82, 16.92 ppm; 4.07 A): 5 out of 12 assignments used, quality = 1.00: HA SER 130 + QG2 ILE 129 OK 100 100 100 100 3.0-3.7 2.9/4143=60, ~7883=38...(36) HA VAL 133 + QG2 ILE 129 OK 89 92 100 97 4.4-5.5 3.2/10482=32...(31) HB3 SER 130 + QG2 ILE 129 OK 86 99 90 96 4.2-5.7 10508/11245=49...(20) HA ARG 90 + QG2 ILE 129 OK 73 96 85 90 4.2-5.8 9953/11405=35...(15) HA VAL 133 + QG2 ILE 80 OK 55 58 95 99 3.0-6.4 10590/3.1=42, ~10588=25...(43) HA LEU 43 - QG2 ILE 129 far 15 100 15 - 5.0-7.2 HA ARG 90 - QG2 ILE 80 far 9 62 15 - 4.7-7.9 HA SER 130 - QG2 ILE 80 far 0 70 0 - 5.9-10.1 HA LEU 43 - QG2 ILE 80 far 0 69 0 - 7.8-13.1 HB3 SER 130 - QG2 ILE 80 far 0 66 0 - 8.3-12.4 HA GLU 97 - QG2 ILE 129 far 0 83 0 - 8.5-10.0 HB3 SER 9 - QG2 ILE 80 far 0 45 0 - 9.8-42.6 Violated in 0 structures by 0.00 A. Peak 9737 from cnoeabs.peaks (6.47, 4.12, 58.67 ppm; 5.52 A): 4 out of 4 assignments used, quality = 1.00: QE TYR 76 + HA ILE 80 OK 100 100 100 100 2.0-3.1 9746/2472=88...(20) QD TYR 76 + HA ILE 80 OK 60 60 100 99 3.0-4.6 ~9704=55, ~9738=48...(21) QE TYR 76 + HA CYS 79 OK 58 58 100 100 4.7-6.7 9706/3.0=80, 9704/3.6=72...(16) QD TYR 76 + HA CYS 79 OK 28 28 100 100 5.0-6.6 ~9706=57, 9705/3.0=46...(24) Violated in 0 structures by 0.00 A. Peak 9739 from cnoeabs.peaks (6.47, 0.81, 17.22 ppm; 5.34 A): 4 out of 4 assignments used, quality = 1.00: QE TYR 76 + QG2 ILE 80 OK 100 100 100 100 1.8-4.7 9746/3.1=91, 9738/2.1=70...(41) QE TYR 76 + QG2 ILE 129 OK 68 69 100 98 3.9-5.8 9634/9083=31...(30) QD TYR 76 + QG2 ILE 80 OK 60 60 100 100 1.9-5.5 ~9746=64, ~9633=54...(42) QD TYR 76 + QG2 ILE 129 OK 32 35 100 92 3.4-4.7 9109/10486=27...(23) Violated in 0 structures by 0.00 A. Peak 9740 from cnoeabs.peaks (7.05, 0.81, 17.22 ppm; 5.40 A): 2 out of 4 assignments used, quality = 0.98: QD PHE 89 + QG2 ILE 80 OK 96 96 100 100 1.9-5.3 9747/3.1=92, ~9749=59...(34) QD PHE 89 + QG2 ILE 129 OK 62 62 100 100 2.3-3.0 11707/4163=69...(39) HE ARG 135 - QG2 ILE 80 poor 9 100 25 37 5.5-9.9 11865/10633=14...(7) HE ARG 135 - QG2 ILE 129 far 0 69 0 - 7.2-10.2 Violated in 0 structures by 0.00 A. Peak 9741 from cnoeabs.peaks (7.29, 0.81, 17.22 ppm; 4.43 A): 3 out of 10 assignments used, quality = 0.89: H ASN 85 + QG2 ILE 80 OK 63 85 75 99 3.6-7.1 3.6/11237=72...(15) HZ PHE 89 + QG2 ILE 129 OK 59 60 100 98 2.4-3.0 2.2/10457=46, ~10456=37...(28) HZ PHE 89 + QG2 ILE 80 OK 26 93 30 92 3.2-7.8 ~9749=40, ~9749=37...(17) H ARG 135 - QG2 ILE 80 far 4 81 5 - 5.8-8.6 QD PHE 87 - QG2 ILE 80 far 0 68 0 - 6.1-8.8 QE PHE 87 - QG2 ILE 80 far 0 89 0 - 6.7-10.4 H ARG 135 - QG2 ILE 129 far 0 49 0 - 6.8-7.6 H ASN 85 - QG2 ILE 129 far 0 52 0 - 7.4-9.4 QD PHE 87 - QG2 ILE 129 far 0 40 0 - 8.4-9.8 QE PHE 87 - QG2 ILE 129 far 0 55 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 9742 from cnoeabs.peaks (7.55, 0.81, 17.22 ppm; 4.04 A): 3 out of 6 assignments used, quality = 0.84: H GLN 82 + QG2 ILE 80 OK 69 100 70 98 1.8-6.8 11261=43, 3.6/9735=32...(18) H VAL 77 + QG2 ILE 129 OK 31 63 70 69 4.6-6.1 7042/11239=19...(14) H VAL 77 + QG2 ILE 80 OK 29 97 30 99 3.6-7.2 ~9725=28, 9750/3.1=25...(31) H ASP 78 - QG2 ILE 80 poor 19 63 30 - 4.0-6.7 H ASP 78 - QG2 ILE 129 far 0 36 0 - 6.8-8.1 H GLN 82 - QG2 ILE 129 far 0 69 0 - 8.0-11.3 Violated in 1 structures by 0.01 A. Peak 9744 from cnoeabs.peaks (6.48, 1.21, 27.07 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HG12 ILE 80 OK 98 98 100 100 2.3-5.3 9633/2.1=78...(19) QD TYR 76 + HG12 ILE 80 OK 81 81 100 100 1.9-5.7 ~9746=68, ~9633=55...(29) Violated in 0 structures by 0.00 A. Peak 9745 from cnoeabs.peaks (6.48, 0.82, 27.07 ppm; 5.33 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HG13 ILE 80 OK 100 100 100 100 1.9-5.8 9633/2.1=91, 9738/3.0=61...(32) QD TYR 76 + HG13 ILE 80 OK 71 71 100 100 2.6-6.7 ~9746=79, ~9633=66...(35) Violated in 2 structures by 0.01 A. Peak 9746 from cnoeabs.peaks (6.46, 0.27, 13.24 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.94: QE TYR 76 + QD1 ILE 80 OK 94 99 95 99 1.9-5.4 10555/10588=42, 9633=39...(42) Violated in 10 structures by 0.38 A. Peak 9747 from cnoeabs.peaks (7.06, 0.27, 13.24 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 89 + QD1 ILE 80 OK 99 99 100 100 1.8-5.0 2.2/9749=65...(35) HE ARG 135 - QD1 ILE 80 far 0 99 0 - 5.7-10.3 Violated in 1 structures by 0.05 A. Peak 9748 from cnoeabs.peaks (7.31, 0.27, 13.24 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: HZ PHE 89 + QD1 ILE 80 OK 99 99 100 100 3.3-6.2 2.2/9749=91, 3.8/9747=77...(26) H ARG 135 + QD1 ILE 80 OK 37 100 40 92 5.4-10.0 10632/10588=54...(11) QD PHE 87 - QD1 ILE 80 poor 20 99 20 - 6.0-7.9 Violated in 3 structures by 0.10 A. Peak 9749 from cnoeabs.peaks (7.42, 0.27, 13.24 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.85: QE PHE 89 + QD1 ILE 80 OK 85 85 100 100 2.7-5.3 2.2/9747=89...(36) Violated in 1 structures by 0.04 A. Peak 9750 from cnoeabs.peaks (7.55, 0.27, 13.24 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: H VAL 77 + QD1 ILE 80 OK 99 99 100 100 3.7-5.1 3.0/9725=92...(37) H GLN 82 + QD1 ILE 80 OK 72 99 75 97 3.9-7.0 9742/3.1=42...(11) Violated in 0 structures by 0.00 A. Peak 9751 from cnoeabs.peaks (8.05, 0.27, 13.24 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: H CYS 79 + QD1 ILE 80 OK 100 100 100 100 2.5-5.7 9699=85, 7066/7077=83...(39) H TYR 76 + QD1 ILE 80 OK 55 100 55 100 5.1-6.9 11140/9749=53...(24) H SER 130 - QD1 ILE 80 far 0 97 0 - 6.9-10.7 Violated in 9 structures by 0.14 A. Peak 9753 from cnoeabs.peaks (8.33, 0.82, 16.92 ppm; 4.24 A): 1 out of 6 assignments used, quality = 0.67: H LYS 86 + QG2 ILE 80 OK 67 67 100 100 2.1-5.4 9813=52, 4.4/11237=38...(33) H TYR 72 - QG2 ILE 129 far 0 97 0 - 6.3-7.7 H LYS 86 - QG2 ILE 129 far 0 99 0 - 6.5-8.2 H GLU 44 - QG2 ILE 129 far 0 100 0 - 7.6-9.2 H TYR 72 - QG2 ILE 80 far 0 63 0 - 8.3-13.2 H GLU 44 - QG2 ILE 80 far 0 70 0 - 9.8-14.6 Violated in 6 structures by 0.25 A. Peak 9754 from cnoeabs.peaks (1.46, 3.75, 66.49 ppm; 6.04 A): 1 out of 1 assignment used, quality = 0.85: HG3 LYS 86 + HA THR 83 OK 85 85 100 100 2.2-4.8 1.8/11341=98...(23) Violated in 0 structures by 0.00 A. Peak 9755 from cnoeabs.peaks (1.65, 3.75, 66.49 ppm; 4.57 A): 3 out of 5 assignments used, quality = 1.00: HD3 LYS 86 + HA THR 83 OK 97 97 100 100 1.8-5.4 3.5/2624=62...(20) HD2 LYS 86 + HA THR 83 OK 97 97 100 100 2.0-5.2 3.5/2624=62...(21) HG2 ARG 84 + HA THR 83 OK 28 97 30 98 4.8-7.8 ~9758=32, 7094/3.6=32...(24) HG3 ARG 84 - HA THR 83 far 5 97 5 - 4.8-7.9 QB ALA 88 - HA THR 83 far 0 95 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 9756 from cnoeabs.peaks (1.65, 4.17, 68.68 ppm; 4.91 A): 4 out of 5 assignments used, quality = 0.93: HD3 LYS 86 + HB THR 83 OK 64 99 65 100 4.0-8.2 9759/2.1=48...(19) HG3 ARG 84 + HB THR 83 OK 42 93 45 100 4.5-7.1 3.0/9758=69, 4.6/7088=67...(17) HG2 ARG 84 + HB THR 83 OK 42 93 45 100 4.4-7.2 3.0/9758=69, 4.6/7088=67...(16) HD2 LYS 86 + HB THR 83 OK 39 99 40 100 4.2-8.0 9759/2.1=48...(19) QB ALA 88 - HB THR 83 far 0 97 0 - 8.0-8.8 Violated in 5 structures by 0.06 A. Peak 9757 from cnoeabs.peaks (1.80, 4.17, 68.68 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: HB2 LYS 86 + HB THR 83 OK 100 100 100 100 4.4-4.9 11312/2.1=96...(22) HB2 ARG 84 + HB THR 83 OK 96 96 100 100 4.4-5.7 1.8/9758=86, 11272=82...(20) HB3 ARG 135 - HB THR 83 far 0 81 0 - 8.3-13.8 Violated in 0 structures by 0.00 A. Peak 9758 from cnoeabs.peaks (1.92, 4.17, 68.68 ppm; 4.76 A): 1 out of 4 assignments used, quality = 0.87: HB3 ARG 84 + HB THR 83 OK 87 87 100 100 4.1-5.1 3.9/7088=73...(19) HB3 PRO 81 - HB THR 83 far 0 76 0 - 8.1-10.1 HB2 ARG 135 - HB THR 83 far 0 83 0 - 8.2-14.8 HB3 ARG 90 - HB THR 83 far 0 60 0 - 9.1-12.5 Violated in 4 structures by 0.03 A. Peak 9759 from cnoeabs.peaks (1.66, 1.24, 22.04 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.99: HD3 LYS 86 + QG2 THR 83 OK 91 100 95 96 2.0-5.3 3.5/11312=44...(21) HD2 LYS 86 + QG2 THR 83 OK 91 100 95 96 2.1-5.2 3.5/11312=44...(22) HG2 ARG 84 - QG2 THR 83 far 0 83 0 - 5.2-7.2 HG3 ARG 84 - QG2 THR 83 far 0 83 0 - 5.3-7.0 QB ALA 88 - QG2 THR 83 far 0 100 0 - 6.3-7.2 Violated in 8 structures by 0.05 A. Peak 9760 from cnoeabs.peaks (1.93, 1.24, 22.04 ppm; 3.97 A): 2 out of 6 assignments used, quality = 0.89: HB3 LYS 86 + QG2 THR 83 OK 76 76 100 100 2.6-4.6 1.8/11312=79...(21) HB3 ARG 84 + QG2 THR 83 OK 56 63 90 99 5.1-5.6 3.9/2520=51, 3.0/9782=50...(15) HB3 ARG 90 - QG2 THR 83 far 0 85 0 - 5.8-9.2 HB2 ARG 90 - QG2 THR 83 far 0 85 0 - 6.5-8.7 HB3 PRO 81 - QG2 THR 83 far 0 95 0 - 7.8-9.0 HB2 MET 11 - QG2 THR 83 far 0 98 0 - 9.9-44.9 Violated in 1 structures by 0.02 A. Peak 9763 from cnoeabs.peaks (3.20, 4.17, 68.68 ppm; 5.94 A): 2 out of 4 assignments used, quality = 0.99: HD2 ARG 84 + HB THR 83 OK 95 100 95 100 3.3-7.5 4.0/9758=78...(10) HD3 ARG 84 + HB THR 83 OK 90 100 90 100 3.3-7.7 4.0/9758=78...(10) HD3 ARG 90 - HB THR 83 far 0 57 0 - 8.2-11.9 HD2 ARG 90 - HB THR 83 far 0 63 0 - 8.5-11.3 Violated in 6 structures by 0.03 A. Peak 9765 from cnoeabs.peaks (4.59, 4.17, 68.68 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.97: HA GLN 82 + HB THR 83 OK 97 100 100 97 4.8-5.1 3.6/9772=68, 9769/2.1=64...(11) HA HIS 3 - HB THR 83 far 0 87 0 - 8.1-77.7 Violated in 20 structures by 0.45 A. Peak 9770 from cnoeabs.peaks (8.88, 3.75, 66.49 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: H THR 83 + HA THR 83 OK 100 100 100 100 2.7-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 9771 from cnoeabs.peaks (7.28, 3.75, 66.49 ppm; 5.79 A): 3 out of 4 assignments used, quality = 0.99: H ASN 85 + HA THR 83 OK 98 99 100 98 4.2-5.1 3.9/2510=68, 9774/3.0=67...(14) HD21 ASN 85 + HA THR 83 OK 42 60 100 69 4.2-6.9 5.3/7100=26...(10) QE PHE 87 + HA THR 83 OK 25 100 25 100 5.0-9.7 ~9776=76, ~9776=75...(8) HE ARG 84 - HA THR 83 far 8 76 10 - 5.1-9.6 Violated in 0 structures by 0.00 A. Peak 9772 from cnoeabs.peaks (8.87, 4.17, 68.68 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.99: H THR 83 + HB THR 83 OK 99 99 100 99 2.5-3.0 4.0=87, 9775/2.1=66...(6) Violated in 0 structures by 0.00 A. Peak 9773 from cnoeabs.peaks (8.10, 4.17, 68.68 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.98: H PHE 87 + HB THR 83 OK 95 95 100 100 5.1-5.8 11240/2.1=98...(12) HD22 ASN 85 + HB THR 83 OK 63 81 95 82 6.0-9.8 5.3/9774=61...(7) Violated in 0 structures by 0.00 A. Peak 9774 from cnoeabs.peaks (7.28, 4.17, 68.68 ppm; 5.03 A): 2 out of 4 assignments used, quality = 0.99: H ASN 85 + HB THR 83 OK 99 100 100 100 4.9-5.6 3.7/7088=82...(14) HE ARG 84 + HB THR 83 OK 23 81 30 97 3.8-9.0 5.1/9758=49...(8) HD21 ASN 85 - HB THR 83 poor 16 65 25 - 6.0-8.6 QE PHE 87 - HB THR 83 far 15 100 15 - 4.2-9.6 Violated in 14 structures by 0.18 A. Peak 9775 from cnoeabs.peaks (8.87, 1.24, 22.04 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.93: H THR 83 + QG2 THR 83 OK 93 93 100 100 3.7-3.8 3.9=97, 2.8/2517=77...(5) Violated in 0 structures by 0.00 A. Peak 9776 from cnoeabs.peaks (7.31, 1.24, 22.04 ppm; 3.20 A): 1 out of 1 assignment used, quality = 0.47: QD PHE 87 + QG2 THR 83 OK 47 99 55 85 2.0-5.8 9837=47, 2.5/9761=29...(13) Violated in 17 structures by 1.19 A. Peak 9782 from cnoeabs.peaks (1.24, 4.25, 59.13 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 83 + HA ARG 84 OK 100 100 100 100 3.4-4.1 2520/2.8=92...(22) HG12 ILE 80 - HA ARG 84 far 0 73 0 - 7.1-10.7 Violated in 0 structures by 0.00 A. Peak 9784 from cnoeabs.peaks (0.89, 4.25, 59.13 ppm; 4.25 A): 0 out of 0 assignments used, quality = 0.00: Peak 9788 from cnoeabs.peaks (1.66, 2.69, 37.63 ppm; 5.84 A): 4 out of 6 assignments used, quality = 1.00: QB ALA 88 + HB2 ASN 85 OK 100 100 100 100 4.3-4.9 9853=100, 2750/3.0=99...(11) HG3 ARG 84 + HB2 ASN 85 OK 81 83 100 98 3.7-6.8 ~11320=39, 2595/3.0=27...(27) HG2 ARG 84 + HB2 ASN 85 OK 69 83 85 98 3.8-7.7 ~11320=39, 2595/3.0=24...(26) HD3 LYS 86 + HB2 ASN 85 OK 25 100 30 84 6.7-10.0 11241/11237=48...(13) HD2 LYS 86 - HB2 ASN 85 far 0 100 0 - 7.5-9.3 HD2 LYS 39 - HB2 ASN 85 far 0 81 0 - 9.2-14.9 Violated in 0 structures by 0.00 A. Peak 9789 from cnoeabs.peaks (2.07, 2.69, 37.63 ppm; 6.33 A): 2 out of 5 assignments used, quality = 0.97: HG3 PRO 81 + HB2 ASN 85 OK 86 89 100 97 3.8-6.6 11226/11325=48...(15) HB3 GLN 82 + HB2 ASN 85 OK 76 76 100 100 4.6-7.4 1.8/11366=88, ~11464=87...(17) HG3 GLN 134 - HB2 ASN 85 lone 8 95 70 12 6.0-10.1 10601/9791=7, 10582/10583=4 HB2 GLU 128 - HB2 ASN 85 far 0 96 0 - 8.0-11.8 HB3 LYS 39 - HB2 ASN 85 far 0 97 0 - 8.3-14.4 Violated in 0 structures by 0.00 A. Peak 9790 from cnoeabs.peaks (1.13, 2.69, 37.63 ppm; 5.04 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + HB2 ASN 85 OK 100 100 100 100 1.8-5.3 10545/3.6=73, 10535=59...(26) QG2 VAL 132 + HB2 ASN 85 OK 100 100 100 100 2.4-5.1 2.1/10535=52...(27) HG2 LYS 39 - HB2 ASN 85 far 0 100 0 - 8.2-12.9 HG3 LYS 39 - HB2 ASN 85 far 0 76 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 9791 from cnoeabs.peaks (0.81, 2.69, 37.63 ppm; 4.37 A): 3 out of 4 assignments used, quality = 0.96: QG2 ILE 80 + HB2 ASN 85 OK 85 100 85 100 3.6-6.5 11237=99, 11236/1.8=96...(22) HG13 ILE 80 + HB2 ASN 85 OK 57 96 60 100 3.5-8.2 3.2/11237=76, ~11222=52...(21) QG1 VAL 133 + HB2 ASN 85 OK 42 71 85 69 3.4-6.4 ~11929=18...(12) QG2 ILE 129 - HB2 ASN 85 poor 19 97 20 - 5.4-7.2 Violated in 7 structures by 0.15 A. Peak 9793 from cnoeabs.peaks (0.81, 2.82, 37.63 ppm; 4.46 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HB3 ASN 85 OK 99 99 100 100 2.5-5.7 11172=99, 11237/1.8=97...(25) HG13 ILE 80 + HB3 ASN 85 OK 63 90 70 100 2.8-7.2 3.2/11236=76...(21) QG1 VAL 133 + HB3 ASN 85 OK 29 60 65 74 3.7-6.8 10586/11222=19...(13) QG2 ILE 129 - HB3 ASN 85 poor 10 93 25 44 4.6-8.0 10531/11743=15...(5) Violated in 1 structures by 0.02 A. Peak 9794 from cnoeabs.peaks (1.15, 2.82, 37.63 ppm; 5.56 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + HB3 ASN 85 OK 99 99 100 100 1.9-6.3 2.1/11660=61...(27) QG1 VAL 132 + HB3 ASN 85 OK 92 92 100 100 2.2-6.5 10545/3.6=73...(27) HG2 LYS 39 - HB3 ASN 85 far 0 97 0 - 8.2-13.3 HG3 LYS 39 - HB3 ASN 85 far 0 97 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 9818 from cnoeabs.peaks (1.18, 3.89, 60.84 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: QG2 VAL 77 + HA LYS 86 OK 100 100 100 100 2.1-4.2 11157=99, 9663/3.0=86...(29) Violated in 0 structures by 0.00 A. Peak 9819 from cnoeabs.peaks (0.81, 3.89, 60.84 ppm; 4.24 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HA LYS 86 OK 99 99 100 100 2.3-3.8 3.1/9727=71, 2.1/9729=60...(45) HG13 ILE 80 + HA LYS 86 OK 89 89 100 100 2.7-4.5 2.1/9727=87, 3.0/9729=52...(47) QG2 ILE 129 + HA LYS 86 OK 24 92 35 74 5.1-6.5 11203/11193=18...(13) QG1 VAL 133 - HA LYS 86 poor 14 57 25 - 5.1-7.3 Violated in 0 structures by 0.00 A. Peak 9820 from cnoeabs.peaks (0.27, 3.89, 60.84 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HA LYS 86 OK 100 100 100 100 1.6-3.7 9727=100, 9720/3.7=65...(50) QG2 VAL 93 + HA LYS 86 OK 39 83 50 94 5.8-7.5 9969/11193=45...(20) Violated in 0 structures by 0.00 A. Peak 9821 from cnoeabs.peaks (0.80, 1.79, 32.72 ppm; 4.88 A): 2 out of 17 assignments used, quality = 1.00: QG2 ILE 80 + HB2 LYS 86 OK 97 97 100 100 1.9-6.0 3.1/9822=65...(53) HG13 ILE 80 + HB2 LYS 86 OK 83 83 100 100 3.3-6.1 2.1/9822=77, ~9727=57...(54) QD1 ILE 32 - HB3 LYS 31 poor 20 37 55 97 5.0-6.9 6356/4.6=41...(49) QD1 ILE 32 - HB3 LYS 24 far 3 33 10 - 3.3-13.9 QG1 VAL 63 - HB3 LYS 24 far 2 43 5 - 5.0-21.7 QD1 ILE 32 - HB3 LYS 19 far 0 38 0 - 6.5-21.0 QD1 ILE 37 - HB3 LYS 24 far 0 36 0 - 7.1-19.6 QG2 ILE 129 - HB2 LYS 86 far 0 87 0 - 7.6-8.7 QD1 ILE 37 - HB3 LYS 31 far 0 41 0 - 8.9-13.2 QD2 LEU 49 - HB3 LYS 19 far 0 66 0 - 8.9-26.6 QG1 VAL 63 - HB3 LYS 31 far 0 48 0 - 8.9-17.3 QD1 LEU 70 - HB3 LYS 31 far 0 57 0 - 9.2-18.0 QD2 LEU 119 - HB3 LYS 24 far 0 61 0 - 9.3-24.3 QD2 LEU 49 - HB3 LYS 24 far 0 59 0 - 9.4-18.8 QD2 LEU 122 - HB3 LYS 24 far 0 48 0 - 9.6-20.9 QD1 LEU 70 - HB3 LYS 24 far 0 51 0 - 9.6-22.2 QD2 LEU 49 - HB3 LYS 31 far 0 66 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 9822 from cnoeabs.peaks (0.27, 1.79, 32.72 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB2 LYS 86 OK 100 100 100 100 3.0-5.4 9820/3.0=100...(45) QG2 VAL 93 + HB2 LYS 86 OK 38 90 45 94 8.1-9.0 9969/9663=52...(8) Violated in 0 structures by 0.00 A. Peak 9823 from cnoeabs.peaks (1.19, 1.95, 32.72 ppm; 4.79 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 77 + HB3 LYS 86 OK 99 99 100 100 3.3-4.9 9663/1.8=98...(39) HG12 ILE 80 + HB3 LYS 86 OK 65 76 85 100 1.8-6.7 2.1/9721=65, ~9822=55...(46) HG12 ILE 80 - HB3 PRO 81 far 0 60 0 - 6.7-7.9 QG2 VAL 77 - HB3 PRO 81 far 0 85 0 - 8.3-9.6 QG2 VAL 77 - HB2 LYS 95 far 0 33 0 - 9.0-10.7 QG2 THR 18 - HB3 PRO 81 far 0 72 0 - 9.1-39.5 QG2 VAL 77 - HB3 LYS 95 far 0 40 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 9824 from cnoeabs.peaks (1.17, 1.79, 32.72 ppm; 4.50 A): 4 out of 14 assignments used, quality = 0.99: QG2 VAL 77 + HB2 LYS 86 OK 95 95 100 100 3.9-6.0 11182/3.0=75...(34) QG2 THR 18 + HB3 LYS 19 OK 67 68 100 98 4.0-5.6 6147/3.9=46...(26) HG12 ILE 32 + HB3 LYS 31 OK 54 66 85 96 4.0-7.5 6354/4.6=60...(42) QG2 THR 25 + HB3 LYS 24 OK 38 46 85 97 2.9-6.4 6242/4.7=52...(37) QG2 THR 18 - HB3 LYS 24 poor 15 61 25 - 2.8-13.9 QG2 THR 25 - HB3 LYS 31 poor 13 51 25 - 1.8-11.7 QG2 THR 25 - HB3 LYS 19 far 8 52 15 - 2.9-15.5 QG2 THR 18 - HB3 LYS 31 far 7 68 10 - 4.2-22.8 HG12 ILE 32 - HB3 LYS 24 far 6 60 10 - 5.5-17.3 QB ALA 41 - HB3 LYS 24 far 0 61 0 - 6.2-22.0 QB ALA 41 - HB3 LYS 31 far 0 68 0 - 7.3-16.1 HG12 ILE 32 - HB3 LYS 19 far 0 67 0 - 8.1-25.3 QB ALA 41 - HB3 LYS 19 far 0 68 0 - 8.8-28.3 HG3 LYS 39 - HB3 LYS 24 far 0 55 0 - 9.7-30.9 Violated in 0 structures by 0.00 A. Peak 9825 from cnoeabs.peaks (0.27, 1.95, 32.72 ppm; 6.80 A): 5 out of 5 assignments used, quality = 1.00: QD1 ILE 80 + HB3 LYS 86 OK 100 100 100 100 2.1-4.8 9822/1.8=100...(50) QD1 ILE 80 + HB3 PRO 81 OK 87 87 100 100 5.9-6.8 11178/3.0=93...(35) QG2 VAL 93 + HB3 LYS 86 OK 74 90 85 96 7.4-9.2 9969/9823=55...(13) QG2 VAL 93 + HB3 LYS 95 OK 33 33 100 100 6.9-8.0 9981/4.0=80...(12) QG2 VAL 93 + HB2 LYS 95 OK 27 27 100 100 5.8-7.7 9981/4.0=80...(15) Violated in 0 structures by 0.00 A. Peak 9826 from cnoeabs.peaks (0.28, 1.42, 25.00 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG2 LYS 86 OK 99 99 100 100 6.3-8.1 9969/11742=95...(12) QD1 ILE 80 + HG2 LYS 86 OK 96 96 100 100 1.6-3.6 9827/1.8=98, 9820/3.7=94...(51) Violated in 0 structures by 0.00 A. Peak 9827 from cnoeabs.peaks (0.30, 1.47, 25.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.82: QG2 VAL 93 + HG3 LYS 86 OK 82 97 90 95 6.1-8.6 9969/11339=72...(9) QG2 VAL 93 - HG3 LYS 36 far 0 88 0 - 9.7-15.6 Violated in 10 structures by 0.43 A. Peak 9828 from cnoeabs.peaks (0.29, 1.65, 29.32 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.97: QG2 VAL 93 + HD3 LYS 95 OK 92 97 95 100 6.1-8.5 2.1/11324=63...(19) QG2 VAL 93 + HD2 LYS 95 OK 64 99 65 99 5.9-9.0 9981/5.5=61, ~11324=58...(21) QD1 ILE 80 - HD2 LYS 95 far 0 65 0 - 9.7-13.6 Violated in 7 structures by 0.12 A. Peak 9833 from cnoeabs.peaks (1.93, 3.23, 38.18 ppm; 4.71 A): 3 out of 7 assignments used, quality = 0.94: HB3 LYS 86 + HB3 PHE 87 OK 80 81 100 98 4.0-6.0 7157/4.0=55, 2724/3.0=34...(19) HB3 LYS 86 + HB2 PHE 87 OK 61 83 75 98 4.4-7.1 7157/4.0=55, 2724/3.0=34...(19) HB3 ARG 90 + HB2 PHE 87 OK 26 90 30 97 5.5-8.3 ~2723=49, ~2723=37...(15) HB3 ARG 90 - HB3 PHE 87 poor 18 89 20 - 5.9-8.1 HB2 ARG 90 - HB3 PHE 87 far 4 76 5 - 6.2-8.3 HB2 ARG 90 - HB2 PHE 87 far 0 78 0 - 6.2-8.1 HB3 PRO 81 - HB3 PHE 87 far 0 96 0 - 9.8-12.9 Violated in 5 structures by 0.09 A. Peak 9834 from cnoeabs.peaks (1.65, 3.23, 38.18 ppm; 4.19 A): 2 out of 10 assignments used, quality = 1.00: QB ALA 88 + HB2 PHE 87 OK 95 96 100 99 3.6-5.2 7185/4.5=54, 11294=39...(23) QB ALA 88 + HB3 PHE 87 OK 93 94 100 99 3.5-5.3 7185/4.5=54, 11294=39...(23) HD2 LYS 86 - HB3 PHE 87 far 14 96 15 - 4.8-9.2 HG2 ARG 84 - HB2 PHE 87 far 14 96 15 - 5.5-8.5 HG3 ARG 84 - HB3 PHE 87 far 14 94 15 - 5.4-7.9 HG3 ARG 84 - HB2 PHE 87 far 10 96 10 - 5.3-8.3 HD3 LYS 86 - HB3 PHE 87 far 5 96 5 - 5.4-8.1 HG2 ARG 84 - HB3 PHE 87 far 5 94 5 - 5.6-8.0 HD2 LYS 86 - HB2 PHE 87 far 0 97 0 - 6.1-9.5 HD3 LYS 86 - HB2 PHE 87 far 0 97 0 - 6.8-8.6 Violated in 0 structures by 0.00 A. Peak 9835 from cnoeabs.peaks (1.23, 3.23, 38.18 ppm; 5.49 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 83 + HB2 PHE 87 OK 99 99 100 100 3.5-6.1 9776/2.5=99...(14) QG2 THR 83 + HB3 PHE 87 OK 98 98 100 100 3.5-5.5 9776/2.5=99...(15) HG12 ILE 80 - HB3 PHE 87 far 0 74 0 - 7.1-10.4 HG12 ILE 80 - HB2 PHE 87 far 0 76 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 9836 from cnoeabs.peaks (1.65, 7.32, 131.40 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: QB ALA 88 + QD PHE 87 OK 96 96 100 100 3.5-5.4 2.1/9849=98, 3.0/7181=98...(22) HD3 LYS 86 + QD PHE 87 OK 85 97 90 97 4.8-8.4 3.5/11349=56...(8) HG2 ARG 84 + QD PHE 87 OK 67 96 90 78 5.8-8.5 3.9/5522=41...(10) HG3 ARG 84 + QD PHE 87 OK 56 96 75 78 5.3-9.0 3.9/5522=41...(10) HD2 LYS 86 + QD PHE 87 OK 51 97 55 96 3.2-9.2 3.5/11349=56...(8) HD2 LYS 95 - QD PHE 87 far 5 100 5 - 8.2-12.0 HD3 LYS 95 - QD PHE 87 far 0 97 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 9837 from cnoeabs.peaks (1.23, 7.32, 131.40 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.94: QG2 THR 83 + QD PHE 87 OK 94 95 100 100 2.0-5.8 9776=90, 9761/2.5=57...(15) HG12 ILE 80 - QD PHE 87 far 5 90 5 - 6.0-10.3 Violated in 1 structures by 0.03 A. Peak 9841 from cnoeabs.peaks (1.64, 4.26, 61.26 ppm; 5.97 A): 3 out of 6 assignments used, quality = 1.00: HD3 LYS 86 + HA PHE 87 OK 92 93 100 99 4.7-7.2 ~7158=49, 3.5/2724=46...(17) QB ALA 88 + HA PHE 87 OK 90 90 100 100 5.0-5.0 7185/3.6=90, ~7170=69...(20) HD2 LYS 86 + HA PHE 87 OK 60 93 65 99 3.9-7.8 ~7158=49, 3.5/2724=46...(17) HG2 ARG 84 - HA PHE 87 far 0 99 0 - 7.7-9.7 HG3 ARG 84 - HA PHE 87 far 0 99 0 - 7.9-9.7 HD2 LYS 95 - HA PHE 87 far 0 98 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 9844 from cnoeabs.peaks (8.34, 3.23, 38.18 ppm; 5.42 A): 2 out of 2 assignments used, quality = 1.00: H LYS 86 + HB2 PHE 87 OK 99 100 100 99 4.7-6.2 7154/4.0=82, 7148/4.5=47...(13) H LYS 86 + HB3 PHE 87 OK 99 99 100 100 4.6-5.4 7154/4.0=82, 7148/4.5=47...(14) Violated in 0 structures by 0.00 A. Peak 9845 from cnoeabs.peaks (8.12, 7.32, 131.40 ppm; 6.44 A): 2 out of 2 assignments used, quality = 1.00: H PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-4.2 4.2=100 H GLU 91 + QD PHE 87 OK 99 99 100 100 4.1-6.2 7241/9918=88...(15) Violated in 0 structures by 0.00 A. Peak 9846 from cnoeabs.peaks (8.13, 7.27, 130.01 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.99: H GLU 91 + QE PHE 87 OK 91 97 100 93 5.1-8.0 7226/2719=72...(6) H PHE 87 + QE PHE 87 OK 85 85 100 100 4.5-6.2 6.3=100 Violated in 0 structures by 0.00 A. Peak 9847 from cnoeabs.peaks (7.29, 1.66, 18.14 ppm; 5.13 A): 3 out of 5 assignments used, quality = 0.98: H ASN 85 + QB ALA 88 OK 85 85 100 100 5.0-5.5 2.9/2750=96, 3.6/9853=73...(17) QD PHE 87 + QB ALA 88 OK 68 68 100 100 3.5-5.4 7181/7185=51...(21) QE PHE 87 + QB ALA 88 OK 65 89 75 98 4.6-7.2 ~9849=50, ~7181=49...(12) H ARG 135 - QB ALA 88 far 0 81 0 - 7.1-8.9 HZ PHE 89 - QB ALA 88 far 0 93 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 9848 from cnoeabs.peaks (6.65, 1.66, 18.14 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9849 from cnoeabs.peaks (7.33, 4.20, 54.89 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.99: QD PHE 87 + HA ALA 88 OK 98 98 100 100 3.4-5.7 7181/2.9=96...(23) HE ARG 90 + HA ALA 88 OK 39 73 60 88 6.1-9.4 7.3/7208=44...(5) Violated in 0 structures by 0.00 A. Peak 9850 from cnoeabs.peaks (6.31, 4.20, 54.89 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9851 from cnoeabs.peaks (8.12, 1.66, 18.14 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: H PHE 87 + QB ALA 88 OK 99 100 100 99 4.3-4.6 7170/7185=79...(18) H GLU 91 + QB ALA 88 OK 98 99 100 100 4.6-4.9 7227/2.1=71...(21) H VAL 133 - QB ALA 88 far 0 63 0 - 5.9-7.1 Violated in 0 structures by 0.00 A. Peak 9852 from cnoeabs.peaks (3.32, 1.66, 18.14 ppm; 5.84 A): 2 out of 3 assignments used, quality = 1.00: HB2 PHE 89 + QB ALA 88 OK 100 100 100 100 4.3-5.2 4.7=100 HB3 PHE 89 + QB ALA 88 OK 93 93 100 100 4.2-5.0 4.7=100 HB3 CYS 73 - QB ALA 88 far 0 100 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 9853 from cnoeabs.peaks (2.69, 1.66, 18.14 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.99: HB2 ASN 85 + QB ALA 88 OK 99 99 100 100 4.3-4.9 3.0/2750=99, ~7174=55...(11) Violated in 0 structures by 0.00 A. Peak 9854 from cnoeabs.peaks (2.25, 1.66, 18.14 ppm; 4.97 A): 2 out of 5 assignments used, quality = 0.89: HG2 GLU 91 + QB ALA 88 OK 81 81 100 100 4.7-6.4 3.0/9865=76, ~9915=66...(24) HB3 GLU 128 + QB ALA 88 OK 44 76 70 83 5.3-8.3 3.0/9855=72...(9) HB3 LEU 96 - QB ALA 88 far 0 96 0 - 8.5-11.7 HB3 GLN 127 - QB ALA 88 far 0 78 0 - 9.0-12.4 HB2 PRO 81 - QB ALA 88 far 0 99 0 - 9.0-11.2 Violated in 10 structures by 0.16 A. Peak 9859 from cnoeabs.peaks (3.21, 4.20, 54.89 ppm; 5.71 A): 2 out of 6 assignments used, quality = 0.92: HB2 PHE 87 + HA ALA 88 OK 76 76 100 100 3.8-5.6 2.5/9849=78, ~7181=57...(25) HB3 PHE 87 + HA ALA 88 OK 65 65 100 100 4.1-5.6 2.5/9849=78, ~7181=57...(25) HD3 ARG 84 - HA ALA 88 poor 9 97 45 20 6.3-11.7 ~7182=4, 11363/2.1=3...(10) HD2 ARG 84 - HA ALA 88 lone 9 97 60 15 5.6-11.8 ~7182=4, ~11363=3...(4) HD3 ARG 135 - HA ALA 88 far 0 65 0 - 7.8-11.3 HB3 CYS 125 - HA ALA 88 far 0 100 0 - 8.1-12.3 Violated in 0 structures by 0.00 A. Peak 9860 from cnoeabs.peaks (1.10, 4.20, 54.89 ppm; 5.98 A): 1 out of 1 assignment used, quality = 0.60: QG1 VAL 132 + HA ALA 88 OK 60 60 100 100 4.1-6.0 ~11661=69, ~9857=61...(20) Violated in 1 structures by 0.00 A. Peak 9861 from cnoeabs.peaks (1.13, 1.66, 18.14 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 132 + QB ALA 88 OK 98 100 100 98 1.8-3.4 10533=65, 2.1/10533=25...(29) QG2 VAL 132 + QB ALA 88 OK 97 100 100 98 2.6-4.0 2.1/10533=41, 10533=37...(32) Violated in 1 structures by 0.00 A. Peak 9865 from cnoeabs.peaks (2.00, 1.66, 18.14 ppm; 4.41 A): 1 out of 5 assignments used, quality = 1.00: HB2 GLU 91 + QB ALA 88 OK 100 100 100 100 4.0-4.3 2860/2.1=79, ~2868=60...(27) HG2 ARG 90 - QB ALA 88 far 11 71 15 - 5.5-7.0 HB ILE 129 - QB ALA 88 far 0 100 0 - 6.5-7.8 HG2 PRO 81 - QB ALA 88 far 0 100 0 - 6.7-8.7 HB2 GLN 134 - QB ALA 88 far 0 76 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 9873 from cnoeabs.peaks (1.14, 4.08, 62.01 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + HA PHE 89 OK 100 100 100 100 2.0-3.8 2.1/10539=48...(36) QG1 VAL 132 + HA PHE 89 OK 97 97 100 100 3.3-4.9 10539=60, 2.1/11377=44...(35) Violated in 0 structures by 0.00 A. Peak 9874 from cnoeabs.peaks (0.27, 4.08, 62.01 ppm; 5.55 A): 2 out of 2 assignments used, quality = 0.99: QD1 ILE 80 + HA PHE 89 OK 95 100 95 100 3.9-7.3 9747/3.1=94...(29) QG2 VAL 93 + HA PHE 89 OK 83 83 100 100 3.2-6.0 9945/2897=80...(22) Violated in 0 structures by 0.00 A. Peak 9875 from cnoeabs.peaks (1.14, 3.31, 39.75 ppm; 5.27 A): 4 out of 6 assignments used, quality = 1.00: QG2 VAL 132 + HB2 PHE 89 OK 100 100 100 100 1.9-5.8 ~11943=60, 2.1/10537=54...(29) QG1 VAL 132 + HB2 PHE 89 OK 100 100 100 100 3.0-6.5 10539/3.0=61, ~11943=60...(30) QG2 VAL 132 + HB3 PHE 89 OK 61 61 100 100 2.0-4.5 ~11943=60, 10551/3.5=51...(29) QG1 VAL 132 + HB3 PHE 89 OK 60 60 100 100 2.8-5.5 10539/3.0=61, ~11943=60...(29) HG2 LYS 39 - HB3 PHE 89 far 0 61 0 - 8.9-13.1 HG2 LYS 39 - HB2 PHE 89 far 0 100 0 - 9.4-14.3 Violated in 0 structures by 0.00 A. Peak 9876 from cnoeabs.peaks (0.26, 3.31, 39.75 ppm; 6.33 A): 4 out of 4 assignments used, quality = 1.00: QD1 ILE 80 + HB2 PHE 89 OK 99 99 100 100 1.9-5.6 9747/2.7=98, 9749/4.5=84...(34) QG2 VAL 93 + HB2 PHE 89 OK 62 63 100 99 3.9-7.1 9924/2.7=49...(21) QD1 ILE 80 + HB3 PHE 89 OK 58 58 100 100 1.9-4.8 9747/2.7=98, 9749/4.5=84...(28) QG2 VAL 93 + HB3 PHE 89 OK 31 31 100 99 4.3-6.3 9924/2.7=49...(16) Violated in 0 structures by 0.00 A. Peak 9877 from cnoeabs.peaks (1.14, 3.33, 39.75 ppm; 5.25 A): 4 out of 6 assignments used, quality = 1.00: QG2 VAL 132 + HB3 PHE 89 OK 100 100 100 100 2.0-4.5 ~11943=60, 10551/3.5=51...(32) QG1 VAL 132 + HB3 PHE 89 OK 100 100 100 100 2.8-5.5 10539/3.0=61, ~11943=60...(30) QG2 VAL 132 + HB2 PHE 89 OK 61 61 100 100 1.9-5.8 ~11943=60, 10551/3.5=51...(29) QG1 VAL 132 + HB2 PHE 89 OK 60 60 100 100 3.0-6.5 10539/3.0=61, ~11943=60...(29) HG2 LYS 39 - HB3 PHE 89 far 0 100 0 - 8.9-13.1 HG2 LYS 39 - HB2 PHE 89 far 0 61 0 - 9.4-14.3 Violated in 0 structures by 0.00 A. Peak 9878 from cnoeabs.peaks (0.26, 3.33, 39.75 ppm; 6.07 A): 4 out of 4 assignments used, quality = 1.00: QD1 ILE 80 + HB3 PHE 89 OK 100 100 100 100 1.9-4.8 9747/2.7=99, 9749/4.5=82...(29) QG2 VAL 93 + HB3 PHE 89 OK 73 73 100 99 4.3-6.3 9924/2.7=61...(16) QD1 ILE 80 + HB2 PHE 89 OK 61 61 100 100 1.9-5.6 9747/2.7=99, 9749/4.5=82...(34) QG2 VAL 93 + HB2 PHE 89 OK 38 38 100 99 3.9-7.1 9924/2.7=61...(21) Violated in 0 structures by 0.00 A. Peak 9880 from cnoeabs.peaks (1.16, 7.07, 131.30 ppm; 5.08 A): 2 out of 6 assignments used, quality = 0.96: QG2 VAL 77 + QD PHE 89 OK 85 85 100 100 1.8-2.2 2.1/9672=93, 2.1/9674=84...(33) QG2 VAL 132 + QD PHE 89 OK 73 73 100 100 1.8-4.3 2.1/11943=88...(41) HG2 LYS 39 - QD PHE 89 far 0 63 0 - 7.0-10.6 HG3 LYS 39 - QD PHE 89 far 0 99 0 - 8.4-11.1 QB ALA 41 - QD PHE 89 far 0 99 0 - 8.9-11.6 QG2 THR 18 - QD PHE 89 far 0 98 0 - 9.1-30.1 Violated in 0 structures by 0.00 A. Peak 9881 from cnoeabs.peaks (1.05, 7.07, 131.30 ppm; 6.14 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QD PHE 89 OK 99 99 100 100 3.8-5.1 2.1/10557=99...(20) QG1 VAL 77 + QD PHE 89 OK 96 96 100 100 3.4-4.5 2.1/9677=100...(32) Violated in 0 structures by 0.00 A. Peak 9882 from cnoeabs.peaks (0.81, 7.07, 131.30 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: QG2 ILE 80 + QD PHE 89 OK 100 100 100 100 1.9-5.3 3.1/9747=98, ~9749=84...(33) QG2 ILE 129 + QD PHE 89 OK 97 97 100 100 2.3-3.0 3.2/10459=95...(40) HG13 ILE 80 + QD PHE 89 OK 95 95 100 100 2.7-6.2 2.1/9747=98, ~9749=94...(34) QG1 VAL 133 + QD PHE 89 OK 68 68 100 100 1.8-3.4 2.1/10554=99, ~10552=97...(22) QD1 LEU 70 - QD PHE 89 lone 4 99 30 13 7.4-9.6 9497/5535=10 QD2 LEU 122 - QD PHE 89 far 0 73 0 - 8.7-12.7 QD2 LEU 49 - QD PHE 89 far 0 93 0 - 8.8-10.7 QD1 LEU 122 - QD PHE 89 far 0 100 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 9883 from cnoeabs.peaks (0.29, 7.07, 131.30 ppm; 6.29 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QD PHE 89 OK 100 100 100 100 1.8-4.0 9924=100, 11424/2.2=100...(32) QD1 ILE 80 + QD PHE 89 OK 73 73 100 100 1.8-5.0 10588/10554=84...(36) Violated in 0 structures by 0.00 A. Peak 9884 from cnoeabs.peaks (7.83, 3.79, 59.97 ppm; 5.09 A): 1 out of 2 assignments used, quality = 0.95: H ALA 92 + HA ARG 90 OK 95 95 100 100 4.3-4.8 7243/3.6=79, 7249=68...(16) H ALA 88 - HA ARG 90 far 0 71 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 9885 from cnoeabs.peaks (7.35, 3.79, 59.97 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: HE ARG 90 + HA ARG 90 OK 100 100 100 100 2.8-5.5 5.6=100 Violated in 0 structures by 0.00 A. Peak 9886 from cnoeabs.peaks (7.07, 3.79, 59.97 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 89 + HA ARG 90 OK 99 99 100 100 2.2-3.5 7213/2.9=91...(15) Violated in 0 structures by 0.00 A. Peak 9887 from cnoeabs.peaks (7.34, 1.73, 28.15 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.96: HE ARG 90 + HG3 ARG 90 OK 95 95 100 100 2.1-3.6 4.0=100 QD PHE 87 + HG3 ARG 90 OK 30 83 50 73 3.6-6.9 11298/2.9=21...(12) Violated in 0 structures by 0.00 A. Peak 9888 from cnoeabs.peaks (7.08, 1.73, 28.15 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.94: QD PHE 89 + HG3 ARG 90 OK 92 92 100 100 2.9-5.6 5.0/2823=87...(12) HZ PHE 87 + HG3 ARG 90 OK 20 90 40 56 7.1-10.9 3.8/9887=34, 7.9/2831=20 Violated in 0 structures by 0.00 A. Peak 9890 from cnoeabs.peaks (7.35, 2.02, 28.15 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: HE ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.1-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 9891 from cnoeabs.peaks (7.35, 3.17, 43.40 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HE ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.6-2.9 2.9=100 HE ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.6-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 9892 from cnoeabs.peaks (6.73, 3.17, 43.40 ppm; 4.08 A): 0 out of 0 assignments used, quality = 0.00: Peak 9897 from cnoeabs.peaks (1.41, 3.79, 59.97 ppm; 5.03 A): 2 out of 7 assignments used, quality = 0.95: QB ALA 92 + HA ARG 90 OK 89 89 100 100 5.0-5.3 3.7/2792=68, 3.0/9884=67...(20) HG2 LYS 86 + HA ARG 90 OK 58 99 60 98 5.9-7.8 11742/11192=69...(14) HG LEU 96 - HA ARG 90 far 0 92 0 - 6.5-9.3 HG2 LYS 95 - HA ARG 90 far 0 71 0 - 6.8-10.4 QB ALA 28 - HA ARG 90 far 0 60 0 - 8.1-23.6 QB ALA 34 - HA ARG 90 far 0 99 0 - 8.3-17.9 HG3 LYS 95 - HA ARG 90 far 0 65 0 - 8.3-11.0 Violated in 2 structures by 0.02 A. Peak 9898 from cnoeabs.peaks (1.17, 3.79, 59.97 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.95: QG2 VAL 77 + HA ARG 90 OK 95 95 100 100 1.8-3.3 2.1/11185=92, 11192=87...(20) Violated in 0 structures by 0.00 A. Peak 9899 from cnoeabs.peaks (0.78, 3.79, 59.97 ppm; 4.33 A): 0 out of 6 assignments used, quality = 0.00: QD1 LEU 96 - HA ARG 90 far 15 99 15 - 5.7-8.3 QD1 ILE 32 - HA ARG 90 far 0 100 0 - 7.4-17.9 QD2 LEU 122 - HA ARG 90 far 0 99 0 - 9.5-13.8 QD1 ILE 37 - HA ARG 90 far 0 100 0 - 9.6-15.0 QD1 LEU 122 - HA ARG 90 far 0 65 0 - 9.7-14.0 QD2 LEU 43 - HA ARG 90 far 0 71 0 - 9.8-12.4 Violated in 20 structures by 1.83 A. Peak 9900 from cnoeabs.peaks (0.28, 3.79, 59.97 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA ARG 90 OK 100 100 100 100 2.0-3.7 9953=100, 2.1/2793=80...(30) QD1 ILE 80 + HA ARG 90 OK 83 90 95 97 4.1-6.8 11183/2.9=40, 9726=34...(21) Violated in 0 structures by 0.00 A. Peak 9906 from cnoeabs.peaks (2.87, 2.11, 35.02 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.74: HE3 LYS 95 + HG3 GLU 91 OK 65 100 70 93 3.7-8.5 9908/1.8=49, ~9908=32...(9) HE2 LYS 95 + HG3 GLU 91 OK 27 100 30 90 5.3-9.1 9908/1.8=42, ~9908=37...(8) HB3 ASP 131 - HG3 GLU 91 far 0 98 0 - 9.1-12.9 Violated in 14 structures by 0.84 A. Peak 9908 from cnoeabs.peaks (2.88, 2.23, 35.02 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.96: HE3 LYS 95 + HG2 GLU 91 OK 81 100 85 96 2.0-7.6 9906/1.8=62...(12) HE2 LYS 95 + HG2 GLU 91 OK 81 100 85 95 3.6-8.9 ~9906=47, ~9906=45...(12) Violated in 6 structures by 0.19 A. Peak 9910 from cnoeabs.peaks (1.65, 2.11, 35.02 ppm; 4.35 A): 3 out of 7 assignments used, quality = 0.97: QB ALA 88 + HG3 GLU 91 OK 92 92 100 100 3.3-5.4 2.1/9915=73, ~9916=54...(26) HD2 LYS 95 + HG3 GLU 91 OK 39 99 45 87 4.1-8.9 3.0/9906=40, ~9908=23...(11) HD3 LYS 95 + HG3 GLU 91 OK 33 95 40 88 3.6-8.9 3.0/9906=40, ~9908=23...(12) HD2 LYS 86 - HG3 GLU 91 far 0 95 0 - 8.7-13.4 HG2 ARG 84 - HG3 GLU 91 far 0 98 0 - 9.1-12.7 HD3 LYS 86 - HG3 GLU 91 far 0 95 0 - 9.5-12.8 HG3 ARG 84 - HG3 GLU 91 far 0 98 0 - 9.7-12.7 Violated in 2 structures by 0.02 A. Peak 9911 from cnoeabs.peaks (1.40, 2.11, 35.02 ppm; 5.52 A): 2 out of 6 assignments used, quality = 0.80: QB ALA 92 + HG3 GLU 91 OK 60 60 100 100 3.0-6.2 3.0/2889=83...(24) HG2 LYS 95 + HG3 GLU 91 OK 49 95 55 95 4.9-9.0 3.7/9906=52, 9914/1.8=39...(13) HG3 LYS 95 - HG3 GLU 91 poor 18 92 20 - 5.1-10.0 HG LEU 96 - HG3 GLU 91 far 0 100 0 - 7.9-13.0 HB2 LEU 96 - HG3 GLU 91 far 0 83 0 - 8.2-11.9 HG2 LYS 86 - HG3 GLU 91 far 0 83 0 - 9.1-12.3 Violated in 2 structures by 0.02 A. Peak 9912 from cnoeabs.peaks (0.87, 2.11, 35.02 ppm; 4.83 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 98 - HG3 GLU 91 far 0 99 0 - 8.3-11.1 QD1 LEU 98 - HG3 GLU 91 far 0 99 0 - 8.6-12.1 QD2 LEU 70 - HG3 GLU 91 far 0 95 0 - 9.4-14.2 Violated in 20 structures by 3.65 A. Peak 9913 from cnoeabs.peaks (0.86, 2.23, 35.02 ppm; 4.30 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 98 - HG2 GLU 91 far 0 95 0 - 7.0-10.0 QD1 LEU 98 - HG2 GLU 91 far 0 100 0 - 7.1-11.2 QD2 LEU 70 - HG2 GLU 91 far 0 99 0 - 9.0-13.6 QG1 VAL 133 - HG2 GLU 91 far 0 65 0 - 9.4-12.2 Violated in 20 structures by 3.03 A. Peak 9914 from cnoeabs.peaks (1.40, 2.23, 35.02 ppm; 5.35 A): 3 out of 6 assignments used, quality = 0.96: QB ALA 92 + HG2 GLU 91 OK 71 71 100 100 3.2-6.0 3.0/7254=87...(25) HG2 LYS 95 + HG2 GLU 91 OK 65 89 80 92 3.2-8.6 3.7/9908=41, 9911/1.8=35...(11) HG3 LYS 95 + HG2 GLU 91 OK 59 85 75 92 3.7-9.2 3.7/9908=41, 3.7/9908=35...(11) HG LEU 96 - HG2 GLU 91 far 0 99 0 - 7.2-12.3 HB2 LEU 96 - HG2 GLU 91 far 0 73 0 - 7.5-11.6 HG2 LYS 86 - HG2 GLU 91 far 0 90 0 - 9.2-13.0 Violated in 4 structures by 0.07 A. Peak 9915 from cnoeabs.peaks (4.22, 2.11, 35.02 ppm; 4.87 A): 1 out of 5 assignments used, quality = 0.87: HA ALA 88 + HG3 GLU 91 OK 87 87 100 100 2.3-4.1 9916/1.8=94, 11819=80...(18) HA GLU 128 - HG3 GLU 91 far 0 71 0 - 8.0-11.8 HA SER 94 - HG3 GLU 91 far 0 97 0 - 8.2-9.3 HA ARG 84 - HG3 GLU 91 far 0 68 0 - 8.5-11.2 HA SER 124 - HG3 GLU 91 far 0 85 0 - 9.9-15.0 Violated in 0 structures by 0.00 A. Peak 9916 from cnoeabs.peaks (4.22, 2.23, 35.02 ppm; 4.17 A): 1 out of 4 assignments used, quality = 0.78: HA ALA 88 + HG2 GLU 91 OK 78 78 100 100 4.1-5.3 9915/1.8=72, 11913=54...(15) HA SER 94 - HG2 GLU 91 far 0 99 0 - 7.0-7.9 HA GLU 128 - HG2 GLU 91 far 0 60 0 - 8.7-12.7 HA ARG 84 - HG2 GLU 91 far 0 78 0 - 9.6-12.6 Violated in 17 structures by 0.35 A. Peak 9917 from cnoeabs.peaks (7.32, 2.11, 35.02 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.79: QD PHE 87 + HG3 GLU 91 OK 79 99 80 100 2.9-8.0 9918/1.8=89, 11351=67...(10) HE ARG 90 - HG3 GLU 91 far 3 65 5 - 6.5-10.2 Violated in 14 structures by 0.72 A. Peak 9918 from cnoeabs.peaks (7.32, 2.23, 35.02 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.30: QD PHE 87 + HG2 GLU 91 OK 30 100 30 100 3.9-8.7 11352=91, 9917/1.8=70...(11) Violated in 17 structures by 1.79 A. Peak 9920 from cnoeabs.peaks (7.83, 1.83, 31.34 ppm; 5.54 A): 1 out of 1 assignment used, quality = 1.00: H ALA 92 + HB VAL 93 OK 100 100 100 100 4.5-6.0 9936/2.1=97...(26) Violated in 1 structures by 0.02 A. Peak 9922 from cnoeabs.peaks (7.80, 0.29, 23.10 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.99: H ALA 92 + QG2 VAL 93 OK 92 92 100 100 3.7-4.7 9936=88, 3.0/9945=83...(29) H GLY 75 + QG2 VAL 93 OK 91 92 100 99 4.7-5.2 4.1/9576=53, ~9608=47...(18) HD22 ASN 121 - QG2 VAL 93 far 0 71 0 - 9.1-13.7 Violated in 0 structures by 0.00 A. Peak 9923 from cnoeabs.peaks (7.33, 0.29, 23.10 ppm; 4.65 A): 2 out of 4 assignments used, quality = 0.87: HZ PHE 89 + QG2 VAL 93 OK 81 81 100 100 3.0-5.5 2.2/11424=89...(20) HE ARG 90 + QG2 VAL 93 OK 32 73 45 98 4.0-7.2 4.8/11411=50...(14) QD PHE 87 - QG2 VAL 93 far 0 98 0 - 7.7-8.9 H ARG 135 - QG2 VAL 93 far 0 93 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 9924 from cnoeabs.peaks (7.07, 0.29, 23.10 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 89 + QG2 VAL 93 OK 100 100 100 100 1.8-4.0 2.2/11424=93...(32) HE ARG 135 - QG2 VAL 93 far 0 89 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 9927 from cnoeabs.peaks (3.21, 4.05, 55.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: HB3 CYS 125 + HA ALA 92 OK 100 100 100 100 2.3-6.6 1.8/11395=100, ~10376=84...(27) HB2 PHE 87 - HA ALA 92 far 0 83 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 9928 from cnoeabs.peaks (2.88, 4.05, 55.00 ppm; 5.06 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 95 + HA ALA 92 OK 99 100 100 99 3.6-6.3 11351/2.9=52...(23) HE2 LYS 95 + HA ALA 92 OK 99 100 100 99 4.2-6.5 3.0/9941=45, 3.0/9941=43...(23) HB3 ASP 131 - HA ALA 92 far 0 90 0 - 8.9-11.1 Violated in 5 structures by 0.04 A. Peak 9940 from cnoeabs.peaks (2.23, 4.05, 55.00 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: HG2 GLU 91 + HA ALA 92 OK 100 100 100 100 2.8-6.4 7254/2.9=100, ~2889=85...(30) HB3 GLU 128 + HA ALA 92 OK 100 100 100 100 4.1-7.6 ~10444=97, ~10444=95...(25) HB3 LEU 96 + HA ALA 92 OK 99 99 100 100 4.1-7.2 11354/9942=69...(24) HB3 GLN 127 - HA ALA 92 far 0 100 0 - 8.4-11.9 HB3 GLU 97 - HA ALA 92 far 0 96 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 9941 from cnoeabs.peaks (1.64, 4.05, 55.00 ppm; 4.17 A): 2 out of 7 assignments used, quality = 0.91: HD3 LYS 95 + HA ALA 92 OK 75 85 90 98 2.1-5.8 5.5/2894=31, 3.0/9928=29...(30) HD2 LYS 95 + HA ALA 92 OK 63 93 70 97 1.9-6.7 5.5/2894=31, 3.0/9928=29...(27) QB ALA 88 - HA ALA 92 far 0 81 0 - 5.9-6.5 HG LEU 70 - HA ALA 92 far 0 63 0 - 8.5-12.1 HB2 LEU 98 - HA ALA 92 far 0 96 0 - 8.8-10.9 HD2 LYS 24 - HA ALA 92 far 0 81 0 - 9.0-33.4 HD3 LYS 24 - HA ALA 92 far 0 83 0 - 9.0-34.3 Violated in 8 structures by 0.36 A. Peak 9942 from cnoeabs.peaks (0.66, 4.05, 55.00 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.92: QD1 ILE 129 + HA ALA 92 OK 92 92 100 100 3.4-4.3 9944/2.1=100, ~11317=96...(39) QD2 LEU 100 - HA ALA 92 far 0 76 0 - 8.6-11.8 QD1 LEU 42 - HA ALA 92 far 0 78 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 9944 from cnoeabs.peaks (0.66, 1.43, 18.02 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.85: QD1 ILE 129 + QB ALA 92 OK 85 85 100 100 1.7-2.7 10491=77, 2.1/11317=74...(34) QD1 LEU 42 - QB ALA 92 far 0 68 0 - 6.3-9.0 QD2 LEU 100 - QB ALA 92 far 0 85 0 - 7.5-10.2 QD2 LEU 62 - QB ALA 92 far 0 90 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 9945 from cnoeabs.peaks (0.28, 1.43, 18.02 ppm; 4.58 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QB ALA 92 OK 100 100 100 100 2.9-4.8 10487/10491=81...(44) QD1 ILE 80 + QB ALA 92 OK 30 90 35 95 5.7-8.5 9747/11394=29, 9720=26...(19) Violated in 1 structures by 0.00 A. Peak 9946 from cnoeabs.peaks (0.82, 1.43, 18.02 ppm; 4.34 A): 2 out of 8 assignments used, quality = 1.00: QG2 ILE 129 + QB ALA 92 OK 100 100 100 100 3.1-4.2 4163/10491=85...(41) QG1 VAL 133 + QB ALA 92 OK 29 95 35 88 5.5-6.5 11768/11317=49...(11) QD1 LEU 70 - QB ALA 92 far 10 100 10 - 5.7-8.1 QD1 LEU 122 - QB ALA 92 far 9 89 10 - 5.7-9.0 QG2 ILE 80 - QB ALA 92 far 0 97 0 - 6.3-8.7 QD2 LEU 49 - QB ALA 92 far 0 65 0 - 6.7-9.0 QD1 LEU 53 - QB ALA 92 far 0 57 0 - 7.1-9.8 HG13 ILE 80 - QB ALA 92 far 0 100 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 9947 from cnoeabs.peaks (1.14, 1.43, 18.02 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + QB ALA 92 OK 100 100 100 100 3.2-4.5 11737/10491=54...(31) QG1 VAL 132 + QB ALA 92 OK 88 99 90 99 3.7-5.7 11658=61, 10539/2897=36...(28) Violated in 3 structures by 0.02 A. Peak 9948 from cnoeabs.peaks (1.96, 1.43, 18.02 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.92: HB2 LYS 95 + QB ALA 92 OK 72 73 100 98 3.5-5.5 2896/2.1=29, ~2896=26...(30) HB3 LYS 95 + QB ALA 92 OK 71 81 90 97 4.7-6.1 2896/2.1=29, ~2895=26...(25) HB3 ARG 90 - QB ALA 92 far 0 97 0 - 6.2-6.7 HB3 LYS 86 - QB ALA 92 far 0 99 0 - 8.8-9.3 HG LEU 53 - QB ALA 92 far 0 71 0 - 9.4-12.7 HB2 GLN 27 - QB ALA 92 far 0 100 0 - 9.8-22.9 Violated in 6 structures by 0.07 A. Peak 9949 from cnoeabs.peaks (2.40, 1.43, 18.02 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.91: HG3 GLU 128 + QB ALA 92 OK 81 85 95 100 2.3-6.3 1.8/10446=96, 10447=77...(18) HG2 GLU 128 + QB ALA 92 OK 54 57 95 100 1.9-6.7 1.8/10447=96...(18) HG3 GLU 97 - QB ALA 92 far 0 87 0 - 7.1-8.8 Violated in 5 structures by 0.11 A. Peak 9951 from cnoeabs.peaks (3.24, 1.43, 18.02 ppm; 5.20 A): 1 out of 4 assignments used, quality = 0.96: HA VAL 93 + QB ALA 92 OK 96 96 100 100 3.8-3.9 2.9/7267=92, 3.2/9945=86...(30) HB2 PHE 87 - QB ALA 92 far 0 98 0 - 7.6-9.0 HD3 ARG 135 - QB ALA 92 far 0 100 0 - 7.7-10.9 HB3 PHE 87 - QB ALA 92 far 0 100 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 9952 from cnoeabs.peaks (3.46, 1.43, 18.02 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: HA ILE 129 + QB ALA 92 OK 100 100 100 100 2.8-3.8 10478=92, 3.2/9946=68...(27) HA VAL 126 + QB ALA 92 OK 63 68 100 93 3.6-4.8 10402/10491=36...(19) HA VAL 77 - QB ALA 92 far 0 96 0 - 7.4-8.5 HA LEU 42 - QB ALA 92 far 0 90 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 9953 from cnoeabs.peaks (3.80, 0.29, 23.10 ppm; 4.43 A): 1 out of 7 assignments used, quality = 1.00: HA ARG 90 + QG2 VAL 93 OK 100 100 100 100 2.0-3.7 9962/2.1=85, 2793/2.1=85...(30) HA SER 130 - QG2 VAL 93 far 0 89 0 - 6.2-9.5 HB2 SER 130 - QG2 VAL 93 far 0 76 0 - 6.4-9.9 HB3 SER 130 - QG2 VAL 93 far 0 71 0 - 6.7-11.1 HB3 SER 9 - QG2 VAL 93 far 0 99 0 - 8.3-40.5 HA LEU 43 - QG2 VAL 93 far 0 87 0 - 8.4-11.8 HB2 SER 9 - QG2 VAL 93 far 0 100 0 - 9.6-41.7 Violated in 0 structures by 0.00 A. Peak 9954 from cnoeabs.peaks (4.06, 0.29, 23.10 ppm; 5.19 A): 5 out of 7 assignments used, quality = 1.00: HA ALA 92 + QG2 VAL 93 OK 98 98 100 100 4.7-5.4 2.1/9945=97, 9943=89...(42) HB2 SER 74 + QG2 VAL 93 OK 95 97 100 98 3.1-5.0 3.9/9576=62...(20) HB3 SER 74 + QG2 VAL 93 OK 93 96 100 98 3.8-5.4 3.9/9576=62...(19) HA LEU 96 + QG2 VAL 93 OK 69 92 75 100 5.9-7.0 2.9/11425=80...(41) HA PHE 89 + QG2 VAL 93 OK 60 60 100 100 3.2-6.0 3.1/9924=83...(21) HA LEU 122 - QG2 VAL 93 far 5 99 5 - 6.6-9.3 HD3 PRO 81 - QG2 VAL 93 far 0 85 0 - 7.8-10.2 Violated in 0 structures by 0.00 A. Peak 9955 from cnoeabs.peaks (4.36, 0.29, 23.10 ppm; 5.54 A): 2 out of 5 assignments used, quality = 0.95: HA CYS 125 + QG2 VAL 93 OK 84 100 85 99 5.9-8.3 10376/9945=74...(20) HA CYS 73 + QG2 VAL 93 OK 65 65 100 100 3.1-4.7 11422/2.1=92...(34) HA LEU 69 - QG2 VAL 93 far 7 65 10 - 6.6-8.6 HA ASP 78 - QG2 VAL 93 far 0 68 0 - 7.3-8.4 HA ASP 47 - QG2 VAL 93 far 0 92 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 9958 from cnoeabs.peaks (2.93, 0.29, 23.10 ppm; 5.19 A): 1 out of 5 assignments used, quality = 0.99: HG CYS 73 + QG2 VAL 93 OK 99 99 100 100 2.5-6.0 3.4/9959=70, 4.6/9955=63...(19) HE3 LYS 86 - QG2 VAL 93 far 0 60 0 - 6.7-9.8 HB2 CYS 45 - QG2 VAL 93 far 0 96 0 - 8.8-11.6 HE2 LYS 36 - QG2 VAL 93 far 0 65 0 - 8.9-16.0 HD2 ARG 135 - QG2 VAL 93 far 0 99 0 - 9.4-14.0 Violated in 1 structures by 0.04 A. Peak 9959 from cnoeabs.peaks (2.74, 0.29, 23.10 ppm; 4.16 A): 3 out of 5 assignments used, quality = 1.00: HB2 CYS 73 + QG2 VAL 93 OK 100 100 100 100 1.7-3.6 9961/2.1=77, 3.0/9955=60...(31) HB2 TYR 76 + QG2 VAL 93 OK 45 90 55 92 4.3-7.9 1.8/11415=37...(19) HB2 CYS 125 + QG2 VAL 93 OK 28 99 30 94 4.5-6.9 10383/10487=51...(17) HB3 ASP 78 - QG2 VAL 93 far 0 100 0 - 7.1-9.4 HB2 ASP 131 - QG2 VAL 93 far 0 60 0 - 8.7-12.0 Violated in 0 structures by 0.00 A. Peak 9960 from cnoeabs.peaks (2.92, 0.75, 21.32 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.95: HG CYS 73 + QG1 VAL 93 OK 95 95 100 100 1.9-5.8 3.4/9961=100...(13) HB2 CYS 45 - QG1 VAL 93 far 0 85 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 9961 from cnoeabs.peaks (2.75, 0.75, 21.32 ppm; 4.61 A): 2 out of 5 assignments used, quality = 1.00: HB2 CYS 73 + QG1 VAL 93 OK 100 100 100 100 2.1-5.0 9959/2.1=75...(29) HB2 TYR 76 + QG1 VAL 93 OK 27 99 30 91 5.4-8.3 11165/11334=31...(18) HB2 CYS 125 - QG1 VAL 93 poor 18 92 20 - 5.2-7.2 HB3 ASP 78 - QG1 VAL 93 far 0 95 0 - 7.1-9.0 HB2 ASP 131 - QG1 VAL 93 far 0 81 0 - 9.5-12.2 Violated in 1 structures by 0.01 A. Peak 9962 from cnoeabs.peaks (3.80, 0.75, 21.32 ppm; 5.08 A): 1 out of 7 assignments used, quality = 0.99: HA ARG 90 + QG1 VAL 93 OK 99 99 100 100 1.7-4.1 9953/2.1=96, 2793/2.1=94...(20) HA SER 130 - QG1 VAL 93 far 0 83 0 - 7.0-9.6 HB3 SER 9 - QG1 VAL 93 far 0 100 0 - 7.4-39.5 HB2 SER 130 - QG1 VAL 93 far 0 83 0 - 7.6-10.0 HB2 SER 9 - QG1 VAL 93 far 0 100 0 - 8.6-40.7 HB3 SER 130 - QG1 VAL 93 far 0 63 0 - 8.8-10.9 HA LEU 43 - QG1 VAL 93 far 0 81 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 9963 from cnoeabs.peaks (4.24, 0.75, 21.32 ppm; 4.88 A): 1 out of 11 assignments used, quality = 0.99: HA SER 94 + QG1 VAL 93 OK 99 99 100 100 2.9-5.1 3.0/11420=84...(26) HA ALA 28 - QG1 VAL 93 far 5 100 5 - 4.8-19.6 HA ALA 29 - QG1 VAL 93 far 5 96 5 - 6.3-16.2 HA GLU 30 - QG1 VAL 93 far 5 92 5 - 4.8-17.8 HA PHE 87 - QG1 VAL 93 far 0 73 0 - 6.7-9.4 HA HIS 67 - QG1 VAL 93 far 0 76 0 - 7.1-9.8 HA GLN 27 - QG1 VAL 93 far 0 100 0 - 7.6-20.5 HA ALA 34 - QG1 VAL 93 far 0 90 0 - 8.3-14.9 HA SER 99 - QG1 VAL 93 far 0 76 0 - 9.5-11.8 HA LYS 26 - QG1 VAL 93 far 0 63 0 - 9.8-19.8 HA SER 124 - QG1 VAL 93 far 0 100 0 - 10.0-11.8 Violated in 1 structures by 0.01 A. Peak 9966 from cnoeabs.peaks (0.65, 3.25, 66.81 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + HA VAL 93 OK 100 100 100 100 1.7-3.6 10461=100, 10487/3.2=88...(48) QD1 LEU 42 - HA VAL 93 far 0 97 0 - 6.7-9.9 Violated in 0 structures by 0.00 A. Peak 9967 from cnoeabs.peaks (0.64, 0.29, 23.10 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + QG2 VAL 93 OK 100 100 100 100 1.7-3.9 10487=99, 10461/2919=49...(62) QD1 LEU 42 + QG2 VAL 93 OK 58 100 60 96 4.3-7.1 11800/11424=34, 9079=33...(20) Violated in 2 structures by 0.02 A. Peak 9970 from cnoeabs.peaks (1.42, 0.29, 23.10 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 92 + QG2 VAL 93 OK 100 100 100 100 2.9-4.8 9945=99, 10491/10487=71...(43) HG LEU 96 + QG2 VAL 93 OK 65 65 100 100 3.7-5.5 3.0/9971=38, 9974/2.1=35...(44) QB ALA 34 - QG2 VAL 93 far 0 99 0 - 5.9-13.3 HG2 LYS 86 - QG2 VAL 93 far 0 100 0 - 6.3-8.1 HG13 ILE 32 - QG2 VAL 93 far 0 93 0 - 7.9-16.7 Violated in 0 structures by 0.00 A. Peak 9971 from cnoeabs.peaks (2.24, 0.29, 23.10 ppm; 6.21 A): 5 out of 7 assignments used, quality = 1.00: HB3 LEU 96 + QG2 VAL 93 OK 99 99 100 100 3.7-6.2 3.8/11425=88...(49) HG2 GLU 91 + QG2 VAL 93 OK 88 90 100 98 5.8-7.2 7254/9936=78...(8) HG2 GLU 97 + QG2 VAL 93 OK 63 63 100 100 4.3-7.1 ~9972=91, ~9972=86...(21) HB3 GLU 128 + QG2 VAL 93 OK 62 87 75 95 6.2-9.2 10492/10487=47...(13) HB3 GLU 97 + QG2 VAL 93 OK 49 65 75 100 6.3-8.5 ~9972=78, ~9972=73...(23) HB3 GLN 127 - QG2 VAL 93 far 0 89 0 - 8.6-11.9 HG2 GLN 68 - QG2 VAL 93 far 0 96 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 9972 from cnoeabs.peaks (2.42, 0.75, 21.32 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.94: HG3 GLU 97 + QG1 VAL 93 OK 94 100 95 99 2.3-7.0 1.8/9973=43...(21) HG2 GLN 101 - QG1 VAL 93 far 0 100 0 - 6.5-9.9 HG3 GLU 128 - QG1 VAL 93 far 0 100 0 - 8.1-11.6 Violated in 4 structures by 0.16 A. Peak 9973 from cnoeabs.peaks (2.23, 0.75, 21.32 ppm; 4.29 A): 2 out of 9 assignments used, quality = 0.98: HB3 LEU 96 + QG1 VAL 93 OK 95 100 95 100 3.8-6.2 9971/2.1=49...(37) HB3 GLU 97 + QG1 VAL 93 OK 68 87 80 98 4.4-8.4 2.9/9972=64...(19) HG2 GLU 91 - QG1 VAL 93 far 5 99 5 - 5.3-7.7 HB2 GLN 101 - QG1 VAL 93 far 0 63 0 - 6.8-10.4 HB3 GLU 128 - QG1 VAL 93 far 0 98 0 - 7.2-10.0 HG2 GLN 68 - QG1 VAL 93 far 0 100 0 - 9.1-12.5 HB3 GLN 104 - QG1 VAL 93 far 0 96 0 - 9.4-16.5 HB2 GLN 68 - QG1 VAL 93 far 0 92 0 - 9.7-11.7 HB3 GLN 127 - QG1 VAL 93 far 0 99 0 - 9.9-11.6 Violated in 9 structures by 0.19 A. Peak 9974 from cnoeabs.peaks (1.42, 0.75, 21.32 ppm; 4.20 A): 2 out of 7 assignments used, quality = 1.00: QB ALA 92 + QG1 VAL 93 OK 98 98 100 100 3.2-5.2 9945/2.1=77, 7267/3.9=55...(32) HG LEU 96 + QG1 VAL 93 OK 76 76 100 100 2.6-4.8 5.0/11432=35...(41) QB ALA 34 - QG1 VAL 93 far 0 100 0 - 5.8-14.0 HG13 ILE 32 - QG1 VAL 93 far 0 87 0 - 6.3-16.1 HG2 LYS 86 - QG1 VAL 93 far 0 100 0 - 6.8-9.8 HG2 LYS 31 - QG1 VAL 93 far 0 81 0 - 9.1-20.4 HG3 LYS 24 - QG1 VAL 93 far 0 71 0 - 9.8-25.7 Violated in 2 structures by 0.02 A. Peak 9986 from cnoeabs.peaks (2.75, 0.77, 23.84 ppm; 4.37 A): 2 out of 7 assignments used, quality = 1.00: HB2 CYS 125 + QD1 LEU 96 OK 97 97 100 100 2.5-5.7 1.8/9987=88, ~9989=49...(32) HB2 CYS 73 + QD1 LEU 96 OK 91 100 100 91 2.5-5.1 11803/2.1=35, ~11693=31...(20) HB2 TYR 76 - QD1 LEU 96 far 0 95 0 - 6.6-9.7 HB2 ASP 64 - QD1 LEU 103 far 0 68 0 - 7.9-10.7 HB2 ASP 131 - QD1 LEU 96 far 0 68 0 - 8.9-12.2 HB3 ASP 78 - QD1 LEU 96 far 0 99 0 - 9.7-12.5 HB2 ASP 47 - QD1 LEU 96 far 0 57 0 - 9.7-14.0 Violated in 1 structures by 0.01 A. Peak 9987 from cnoeabs.peaks (3.21, 0.77, 23.84 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: HB3 CYS 125 + QD1 LEU 96 OK 100 100 100 100 3.2-5.7 9989/2.1=73...(28) HB3 CYS 125 - QD1 LEU 103 far 0 68 0 - 9.2-13.2 Violated in 12 structures by 0.36 A. Peak 10000 from cnoeabs.peaks (0.83, 3.76, 59.92 ppm; 3.56 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 70 + HA GLU 97 OK 96 97 100 100 1.8-4.3 2.1/11090=70, 11101=65...(35) QD2 LEU 70 + HA GLU 97 OK 65 65 100 99 1.7-4.3 11090=52, 2.1/11101=47...(29) QD1 LEU 122 - HA GLU 97 far 11 76 15 - 3.4-7.6 QG2 ILE 129 - HA GLU 97 far 0 99 0 - 8.5-10.0 QG2 ILE 32 - HA GLU 97 far 0 71 0 - 9.1-15.9 QD2 LEU 119 - HA GLU 97 far 0 60 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 10001 from cnoeabs.peaks (0.61, 3.76, 59.92 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 100 + HA GLU 97 OK 100 100 100 100 2.5-4.3 10036=99, 11115/11090=64...(32) QD1 LEU 42 - HA GLU 97 far 0 65 0 - 9.5-13.4 Violated in 2 structures by 0.01 A. Peak 10002 from cnoeabs.peaks (0.84, 2.14, 28.66 ppm; 3.87 A): 2 out of 5 assignments used, quality = 0.92: QD1 LEU 70 + HB2 GLU 97 OK 79 83 95 100 2.0-5.6 10000/3.0=61...(28) QD2 LEU 70 + HB2 GLU 97 OK 61 87 70 100 1.8-5.8 11109=63, 9486/2.9=53...(29) QD1 LEU 98 - HB2 GLU 97 far 11 73 15 - 4.7-7.2 QG2 ILE 129 - HB2 GLU 97 far 0 89 0 - 8.0-9.8 QG2 ILE 32 - HB2 GLU 97 far 0 90 0 - 8.4-17.3 Violated in 2 structures by 0.01 A. Peak 10003 from cnoeabs.peaks (0.83, 2.21, 28.66 ppm; 4.11 A): 3 out of 21 assignments used, quality = 0.97: QD1 LEU 70 + HB3 GLU 97 OK 89 89 100 100 2.9-5.6 10000/3.0=68...(35) QD2 LEU 70 + HB3 GLU 97 OK 56 81 70 100 2.3-6.0 9486/2.9=52...(34) QG2 ILE 80 + HB2 GLN 82 OK 37 53 70 98 3.7-8.2 11310/1.8=87...(12) QD1 LEU 98 - HB3 GLU 102 poor 14 46 30 - 3.9-7.8 QD1 LEU 98 - HB3 GLU 97 far 10 65 15 - 5.1-6.7 QG2 ILE 129 - HB3 GLU 128 far 3 65 5 - 5.5-6.7 QD1 LEU 122 - HB3 GLU 97 far 3 60 5 - 5.4-9.6 HG13 ILE 80 - HB2 GLN 82 far 0 70 0 - 5.9-8.3 QG1 VAL 133 - HB2 GLN 82 far 0 77 0 - 6.1-10.8 QD2 LEU 70 - HB3 GLU 102 far 0 59 0 - 6.6-10.5 QG1 VAL 133 - HB3 GLU 128 far 0 75 0 - 6.9-8.2 QD1 LEU 70 - HB3 GLU 102 far 0 66 0 - 6.9-10.4 QD1 LEU 122 - HB3 GLU 128 far 0 38 0 - 7.4-10.6 QD1 LEU 122 - HB3 GLU 102 far 0 42 0 - 7.8-10.1 QD2 LEU 70 - HB3 GLU 128 far 0 53 0 - 7.8-11.4 QD1 LEU 70 - HB3 GLU 128 far 0 60 0 - 7.9-12.1 QG2 ILE 129 - HB2 GLN 82 far 0 67 0 - 8.8-11.9 QD2 LEU 22 - HB3 GLU 102 far 0 80 0 - 9.0-33.7 QG2 ILE 32 - HB3 GLU 97 far 0 85 0 - 9.1-17.3 QG2 ILE 129 - HB3 GLU 97 far 0 93 0 - 9.4-10.7 QG2 ILE 80 - HB3 GLU 128 far 0 52 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 10004 from cnoeabs.peaks (0.83, 2.27, 35.12 ppm; 3.41 A): 2 out of 13 assignments used, quality = 0.92: QD2 LEU 70 + HG2 GLU 97 OK 72 81 90 99 1.9-5.8 9486/1.8=51...(30) QD1 LEU 70 + HG2 GLU 97 OK 71 89 80 99 1.8-5.7 ~9486=41, ~9486=41...(30) QD1 LEU 98 - HG2 GLU 97 far 10 65 15 - 3.9-8.0 QD2 LEU 70 - HG2 GLU 30 far 0 50 0 - 5.7-17.2 QD1 LEU 122 - HG2 GLU 97 far 0 60 0 - 5.8-9.5 QD2 LEU 22 - HG2 GLU 30 far 0 69 0 - 6.1-17.0 QD1 LEU 70 - HG2 GLU 30 far 0 57 0 - 6.5-18.8 QG2 ILE 32 - HG2 GLU 30 far 0 53 0 - 7.0-8.5 QG2 ILE 129 - HG2 GLU 97 far 0 93 0 - 7.6-9.8 QG2 ILE 32 - HG2 GLU 97 far 0 85 0 - 8.1-17.5 QG2 ILE 129 - HG2 GLU 30 far 0 61 0 - 8.5-20.7 QD1 LEU 98 - HG2 GLU 30 far 0 39 0 - 8.9-25.2 QG2 VAL 57 - HG2 GLU 30 far 0 39 0 - 9.2-20.2 Violated in 7 structures by 0.20 A. Peak 10005 from cnoeabs.peaks (0.83, 2.42, 35.12 ppm; 3.42 A): 2 out of 6 assignments used, quality = 0.93: QD1 LEU 70 + HG3 GLU 97 OK 80 95 85 100 1.7-6.5 2.1/9486=66, 9489=54...(30) QD2 LEU 70 + HG3 GLU 97 OK 63 71 90 99 1.8-5.4 9486=58, 2.1/9489=44...(26) QD1 LEU 122 - HG3 GLU 97 far 4 71 5 - 4.8-9.6 QG2 ILE 129 - HG3 GLU 97 far 0 97 0 - 7.5-10.2 QG2 ILE 32 - HG3 GLU 97 far 0 76 0 - 7.9-17.4 QG2 ILE 80 - HG3 GLU 97 far 0 87 0 - 9.5-15.1 Violated in 4 structures by 0.16 A. Peak 10010 from cnoeabs.peaks (1.40, 2.42, 35.12 ppm; 5.08 A): 3 out of 15 assignments used, quality = 1.00: HG LEU 96 + HG3 GLU 97 OK 100 100 100 100 2.1-5.7 11461/2.9=51, ~11695=39...(35) HB2 LEU 96 + HG3 GLU 97 OK 67 78 85 100 4.8-7.2 4.4/7348=47...(35) HB3 LEU 100 + HG3 GLU 97 OK 41 76 55 98 5.0-8.7 ~10012=44, 3.2/10011=32...(23) HG3 LYS 95 - HG3 GLU 97 far 9 89 10 - 6.2-10.1 QB ALA 28 - HG3 GLU 97 far 4 85 5 - 6.4-21.9 QB ALA 29 - HG3 GLU 97 far 4 78 5 - 5.3-17.1 HG2 LYS 95 - HG3 GLU 97 far 0 92 0 - 6.7-10.6 QB ALA 108 - HG3 GLU 97 far 0 87 0 - 6.8-18.1 QB ALA 92 - HG3 GLU 97 far 0 65 0 - 7.1-8.8 QB ALA 34 - HG3 GLU 97 far 0 90 0 - 8.3-18.8 HG2 LYS 24 - HG3 GLU 97 far 0 76 0 - 9.0-33.0 QB ALA 15 - HG3 GLU 97 far 0 83 0 - 9.1-38.6 QB ALA 110 - HG3 GLU 97 far 0 83 0 - 9.8-23.1 HG3 LYS 26 - HG3 GLU 97 far 0 81 0 - 9.9-25.2 QB ALA 109 - HG3 GLU 97 far 0 93 0 - 10.0-17.8 Violated in 1 structures by 0.01 A. Peak 10011 from cnoeabs.peaks (0.62, 2.42, 35.12 ppm; 5.43 A): 2 out of 3 assignments used, quality = 0.92: QD1 LEU 100 + HG3 GLU 97 OK 75 89 85 100 3.4-7.5 11115/9486=78...(19) QD1 ILE 129 + HG3 GLU 97 OK 66 78 85 100 5.7-7.6 10012/1.8=80...(12) QD1 LEU 42 - HG3 GLU 97 far 0 92 0 - 8.4-13.1 Violated in 6 structures by 0.14 A. Peak 10012 from cnoeabs.peaks (0.61, 2.27, 35.12 ppm; 5.56 A): 1 out of 4 assignments used, quality = 0.94: QD1 LEU 100 + HG2 GLU 97 OK 94 100 95 100 3.7-7.2 10036/3.8=84...(23) QD1 LEU 100 - HG2 GLU 30 far 0 69 0 - 8.0-16.3 QD1 LEU 42 - HG2 GLU 97 far 0 65 0 - 8.6-14.3 QD1 LEU 42 - HG2 GLU 30 far 0 39 0 - 8.9-19.4 Violated in 12 structures by 0.47 A. Peak 10019 from cnoeabs.peaks (3.51, 1.71, 27.30 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 132 + HG2 ARG 135 OK 99 99 100 100 1.9-3.8 10527=99, 11783/1.8=84...(29) Violated in 0 structures by 0.00 A. Peak 10020 from cnoeabs.peaks (8.49, 1.65, 41.76 ppm; 6.22 A): 2 out of 2 assignments used, quality = 1.00: H LEU 100 + HB2 LEU 98 OK 100 100 100 100 5.3-6.7 3.4/3166=94, ~3155=61...(31) H GLU 97 + HB2 LEU 98 OK 94 95 100 100 5.6-6.1 10021/3.0=87...(11) Violated in 0 structures by 0.00 A. Peak 10021 from cnoeabs.peaks (8.50, 1.71, 26.74 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.88: H GLU 97 + HG LEU 98 OK 88 100 95 92 4.1-6.3 3.9/3176=66...(8) H LEU 100 - HG LEU 98 far 10 97 10 - 5.9-7.0 H SER 9 - HG LEU 48 far 0 95 0 - 7.2-44.7 Violated in 12 structures by 0.40 A. Peak 10022 from cnoeabs.peaks (1.78, 3.76, 63.21 ppm; 5.36 A): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 122 + HB2 SER 99 OK 97 97 100 100 2.1-6.6 1.8/11374=51...(40) HB3 LEU 98 + HB2 SER 99 OK 93 100 95 98 3.7-6.9 3.1/11478=38, ~11480=37...(19) HB3 LEU 103 + HB2 SER 99 OK 74 97 80 95 5.2-7.3 ~3372=29, ~3372=28...(22) HG LEU 100 - HB2 SER 99 far 15 99 15 - 6.3-8.2 HB2 ARG 23 - HB2 SER 99 far 0 63 0 - 9.6-35.1 Violated in 0 structures by 0.00 A. Peak 10023 from cnoeabs.peaks (1.76, 4.22, 62.42 ppm; 5.60 A): 1 out of 4 assignments used, quality = 0.65: HB3 LEU 98 + HA SER 99 OK 65 65 100 100 3.9-5.6 ~3166=70, ~3166=68...(32) HG LEU 100 - HA SER 99 far 0 85 0 - 7.1-7.9 HB2 ARG 23 - HA SER 99 far 0 100 0 - 8.0-36.0 HB2 LYS 24 - HA SER 99 far 0 97 0 - 8.7-33.2 Violated in 1 structures by 0.00 A. Peak 10024 from cnoeabs.peaks (3.64, 0.68, 23.54 ppm; 3.43 A): 4 out of 8 assignments used, quality = 0.98: HA3 GLY 66 + QD2 LEU 100 OK 74 100 80 93 1.9-5.6 10035/2.1=28...(22) HA2 GLY 66 + QD2 LEU 100 OK 59 99 65 92 3.4-6.3 10035/2.1=27...(17) HA3 GLY 66 + QD2 LEU 62 OK 53 66 100 80 2.7-4.3 2.9/9435=23, 9449=16...(20) HA2 GLY 66 + QD2 LEU 62 OK 50 63 100 79 3.6-4.7 2.9/9435=23, 3.6/9461=16...(20) HD2 PRO 58 - QD2 LEU 62 far 0 51 0 - 6.4-7.6 HD2 PRO 56 - QD2 LEU 62 far 0 47 0 - 8.7-10.4 HD3 PRO 56 - QD2 LEU 62 far 0 58 0 - 9.0-10.8 HD2 PRO 58 - QD2 LEU 100 far 0 87 0 - 9.4-13.9 Violated in 0 structures by 0.00 A. Peak 10025 from cnoeabs.peaks (2.23, 0.68, 23.54 ppm; 4.26 A): 2 out of 17 assignments used, quality = 0.69: HB3 GLN 104 + QD2 LEU 100 OK 58 99 80 73 2.0-6.9 11436/10974=20...(15) HB2 GLN 101 + QD2 LEU 100 OK 27 73 40 93 3.4-7.0 4.0/3264=46, ~10048=25...(18) HB3 GLU 97 - QD2 LEU 100 poor 19 93 20 - 3.0-7.9 HB3 LEU 96 - QD2 LEU 100 far 15 99 15 - 4.6-8.6 HB3 GLN 127 - QD2 LEU 62 far 0 66 0 - 5.9-10.4 HB3 GLU 102 - QD2 LEU 100 far 0 100 0 - 6.1-7.0 HB3 GLN 104 - QD2 LEU 62 far 0 63 0 - 6.2-10.3 HB2 GLN 68 - QD2 LEU 100 far 0 97 0 - 6.6-8.2 HG2 GLN 68 - QD2 LEU 100 far 0 100 0 - 6.6-8.8 HG2 GLN 68 - QD2 LEU 62 far 0 66 0 - 6.7-9.9 HB3 LEU 96 - QD2 LEU 62 far 0 65 0 - 6.9-9.7 HB2 GLN 68 - QD2 LEU 62 far 0 61 0 - 7.1-9.2 HB2 GLN 101 - QD2 LEU 62 far 0 41 0 - 8.7-11.9 HB3 GLU 102 - QD2 LEU 62 far 0 66 0 - 8.8-12.5 HB3 GLU 97 - QD2 LEU 62 far 0 57 0 - 9.1-11.7 HB3 GLU 128 - QD2 LEU 62 far 0 65 0 - 9.3-13.2 HB3 GLN 127 - QD2 LEU 100 far 0 100 0 - 9.4-12.8 Violated in 11 structures by 0.45 A. Peak 10028 from cnoeabs.peaks (2.20, 3.96, 57.71 ppm; 5.52 A): 4 out of 4 assignments used, quality = 1.00: HB2 GLN 101 + HA LEU 100 OK 99 99 100 100 5.7-6.6 3286/3.6=88...(19) HB2 GLN 104 + HA LEU 100 OK 89 97 100 91 4.2-6.8 7493/7481=70...(11) HB3 GLU 97 + HA LEU 100 OK 66 89 75 100 6.3-8.4 ~3115=54, 7417/3.6=44...(33) HB3 GLN 104 + HA LEU 100 OK 41 76 60 91 3.2-8.0 3.9/7481=64...(12) Violated in 1 structures by 0.00 A. Peak 10029 from cnoeabs.peaks (2.22, 1.82, 41.28 ppm; 5.56 A): 6 out of 10 assignments used, quality = 1.00: HB3 GLU 97 + HB2 LEU 100 OK 99 99 100 100 4.2-6.5 3.0/3115=93, ~10036=53...(37) HB3 LEU 96 + HB2 LEU 100 OK 93 93 100 100 4.1-6.7 ~11918=47, 4.4/3232=37...(39) HB2 GLN 101 + HB2 LEU 100 OK 90 90 100 100 4.1-6.5 3286/4.6=65, ~10048=61...(20) HB3 GLN 127 + HB3 LEU 123 OK 65 77 85 100 5.2-8.2 ~11637=54, ~11638=53...(30) HB3 GLU 102 + HB2 LEU 100 OK 33 99 55 61 6.7-8.6 2130/3.0=17, 3126/3.9=16...(9) HB3 GLN 104 + HB2 LEU 100 OK 24 100 25 95 3.9-9.6 10025/3.2=63, ~11445=29...(14) HB3 GLU 128 - HB3 LEU 123 far 0 77 0 - 7.4-11.1 HB3 LEU 96 - HB3 LEU 123 far 0 67 0 - 7.7-9.9 HG2 GLN 68 - HB2 LEU 100 far 0 98 0 - 9.0-11.7 HB2 GLN 68 - HB2 LEU 100 far 0 100 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 10030 from cnoeabs.peaks (2.21, 0.60, 25.62 ppm; 4.74 A): 5 out of 9 assignments used, quality = 1.00: HB3 GLU 97 + QD1 LEU 100 OK 95 100 95 100 4.1-6.5 3.0/10036=79...(30) HB2 GLN 101 + QD1 LEU 100 OK 93 99 95 99 3.4-6.4 3286/7415=56, ~10048=33...(25) HB3 GLN 104 + QD1 LEU 100 OK 75 99 85 89 1.9-7.0 10025/2.1=57...(11) HB2 GLN 104 + QD1 LEU 100 OK 66 71 100 93 1.9-5.7 ~10025=45, ~10025=42...(13) HB3 LEU 96 + QD1 LEU 100 OK 38 78 50 98 3.9-7.8 3.0/11918=64...(34) HB3 GLU 102 - QD1 LEU 100 far 14 92 15 - 6.1-8.8 HB2 GLN 68 - QD1 LEU 100 far 10 100 10 - 6.0-7.1 HG2 GLN 68 - QD1 LEU 100 far 9 89 10 - 5.9-7.5 HB3 GLN 127 - QD1 LEU 100 far 0 96 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 10033 from cnoeabs.peaks (2.41, 0.68, 23.54 ppm; 4.53 A): 3 out of 9 assignments used, quality = 0.81: HG3 GLN 61 + QD2 LEU 62 OK 60 66 95 95 4.0-7.4 10936/9319=67...(9) HG3 GLU 97 + QD2 LEU 100 OK 37 99 40 93 3.4-8.9 ~10012=41, 10011/2.1=28...(18) HG2 GLN 101 + QD2 LEU 100 OK 26 97 30 90 4.1-7.4 3305/3264=53, ~10053=36...(12) HG3 GLU 55 - QD2 LEU 62 far 0 54 0 - 6.8-10.4 HG3 GLN 61 - QD2 LEU 100 far 0 100 0 - 6.9-11.6 HB3 PRO 58 - QD2 LEU 62 far 0 66 0 - 7.9-9.0 HG3 GLU 97 - QD2 LEU 62 far 0 63 0 - 8.7-11.9 HG2 GLN 101 - QD2 LEU 62 far 0 61 0 - 9.0-12.4 HB3 PRO 58 - QD2 LEU 100 far 0 100 0 - 9.8-13.7 Violated in 7 structures by 0.19 A. Peak 10034 from cnoeabs.peaks (3.37, 0.60, 25.62 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 63 + QD1 LEU 100 OK 100 100 100 100 2.5-4.2 10958=82, 3.2/10973=62...(30) HB2 HIS 67 + QD1 LEU 100 OK 70 71 100 99 1.9-4.7 3.0/10037=66...(15) HB3 TYR 72 - QD1 LEU 100 far 0 65 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 10035 from cnoeabs.peaks (3.64, 0.60, 25.62 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 66 + QD1 LEU 100 OK 97 98 100 99 2.1-4.3 3.6/11037=47...(24) HA2 GLY 66 + QD1 LEU 100 OK 92 93 100 99 3.1-5.3 3.6/11037=47...(22) Violated in 0 structures by 0.00 A. Peak 10036 from cnoeabs.peaks (3.77, 0.60, 25.62 ppm; 4.25 A): 1 out of 2 assignments used, quality = 0.96: HA GLU 97 + QD1 LEU 100 OK 96 96 100 100 2.5-4.3 10001=93, 11090/11115=65...(32) HB2 SER 99 - QD1 LEU 100 far 5 92 5 - 5.7-7.2 Violated in 1 structures by 0.00 A. Peak 10037 from cnoeabs.peaks (4.21, 0.60, 25.62 ppm; 4.89 A): 2 out of 8 assignments used, quality = 0.99: HA HIS 67 + QD1 LEU 100 OK 99 99 100 100 1.8-2.6 9463=98, 11014/2.1=77...(22) HA SER 99 + QD1 LEU 100 OK 29 99 30 99 6.2-7.1 3.6/7401=71, 4.9/3266=57...(21) HA GLU 30 - QD1 LEU 100 far 5 90 5 - 6.0-13.4 HA ALA 29 - QD1 LEU 100 far 4 85 5 - 6.3-13.0 HA VAL 105 - QD1 LEU 100 lone 0 85 30 1 5.6-9.1 HA ALA 28 - QD1 LEU 100 far 0 63 0 - 7.1-15.2 HA SER 94 - QD1 LEU 100 far 0 76 0 - 8.0-9.6 HA ALA 34 - QD1 LEU 100 far 0 92 0 - 9.0-16.5 Violated in 0 structures by 0.00 A. Peak 10038 from cnoeabs.peaks (4.18, 0.68, 23.54 ppm; 3.81 A): 1 out of 7 assignments used, quality = 0.60: HA LEU 53 + QD2 LEU 62 OK 60 64 95 99 2.8-5.6 9252=81, 1679/10338=58...(16) HA LEU 53 - QD2 LEU 100 far 0 99 0 - 5.3-12.3 HA VAL 105 - QD2 LEU 100 far 0 100 0 - 6.0-9.1 HB THR 25 - QD2 LEU 62 far 0 54 0 - 7.5-18.1 HB THR 25 - QD2 LEU 100 far 0 90 0 - 8.2-20.4 HB THR 18 - QD2 LEU 62 far 0 63 0 - 9.8-31.9 HA VAL 105 - QD2 LEU 62 far 0 65 0 - 9.8-13.2 Violated in 17 structures by 0.64 A. Peak 10039 from cnoeabs.peaks (3.78, 3.96, 57.71 ppm; 6.41 A): 2 out of 2 assignments used, quality = 0.99: HA GLU 97 + HA LEU 100 OK 90 90 100 100 4.8-6.3 10036/3266=92...(28) HB2 SER 99 + HA LEU 100 OK 85 85 100 100 3.8-5.6 ~7395=83, ~3219=81...(15) Violated in 0 structures by 0.00 A. Peak 10042 from cnoeabs.peaks (8.64, 0.60, 25.62 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.97: H HIS 67 + QD1 LEU 100 OK 97 97 100 100 2.5-3.8 11037=94, 2.9/10037=83...(22) H SER 60 - QD1 LEU 100 far 0 83 0 - 8.1-9.9 H SER 50 - QD1 LEU 100 far 0 95 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 10043 from cnoeabs.peaks (8.27, 0.60, 25.62 ppm; 5.29 A): 2 out of 10 assignments used, quality = 0.97: H SER 99 + QD1 LEU 100 OK 89 89 100 100 5.2-6.4 3.4/7401=82, ~3257=60...(26) H LEU 69 + QD1 LEU 100 OK 73 73 100 99 5.1-6.2 3.7/11493=79...(8) H LEU 123 - QD1 LEU 100 poor 18 92 25 80 5.0-7.9 11483/2.1=28...(14) H VAL 126 - QD1 LEU 100 poor 16 90 25 72 5.6-8.3 11083/11115=23...(16) H LEU 96 - QD1 LEU 100 far 15 100 15 - 6.5-8.1 H ALA 29 - QD1 LEU 100 far 3 68 5 - 5.6-14.2 H GLU 30 - QD1 LEU 100 far 0 96 0 - 6.9-13.9 H LEU 49 - QD1 LEU 100 far 0 63 0 - 8.1-12.3 H ALA 110 - QD1 LEU 100 far 0 68 0 - 8.6-13.9 H GLY 111 - QD1 LEU 100 far 0 63 0 - 9.2-14.1 Violated in 6 structures by 0.02 A. Peak 10044 from cnoeabs.peaks (7.15, 0.60, 25.62 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: HD2 HIS 67 + QD1 LEU 100 OK 100 100 100 100 1.9-5.0 9472=82, 11485/2.1=76...(11) QD TYR 72 - QD1 LEU 100 far 0 100 0 - 7.5-8.7 Violated in 1 structures by 0.03 A. Peak 10045 from cnoeabs.peaks (8.90, 0.60, 25.62 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.99: H GLY 66 + QD1 LEU 100 OK 99 100 100 100 3.7-5.5 11032=72, 6864/11037=65...(16) H ASN 59 - QD1 LEU 100 far 0 95 0 - 8.5-10.7 Violated in 3 structures by 0.04 A. Peak 10046 from cnoeabs.peaks (7.90, 3.96, 57.71 ppm; 6.80 A): 3 out of 3 assignments used, quality = 1.00: H GLN 104 + HA LEU 100 OK 99 99 100 100 2.7-4.7 7485/3228=88, 7481=81...(16) HD22 ASN 116 + HA LEU 100 OK 76 93 85 95 6.2-13.1 ~10217=83, 1.7/10210=34...(12) H SER 106 + HA LEU 100 OK 60 100 85 71 6.9-8.9 11450/3228=27...(11) Violated in 0 structures by 0.00 A. Peak 10048 from cnoeabs.peaks (1.39, 4.10, 58.80 ppm; 4.89 A): 1 out of 13 assignments used, quality = 0.98: HB3 LEU 100 + HA GLN 101 OK 98 98 100 100 5.4-5.6 7412/2.9=54...(28) QB ALA 29 - HA GLN 101 poor 20 99 20 - 5.4-15.1 QB ALA 108 - HA GLN 101 far 5 100 5 - 6.1-11.7 QB ALA 12 - HA CYS 79 far 2 44 5 - 4.7-37.1 HG3 LYS 26 - HA GLN 101 far 0 99 0 - 6.6-26.0 HG LEU 96 - HA GLN 101 far 0 98 0 - 6.9-9.5 QB ALA 109 - HA GLN 101 far 0 100 0 - 6.9-14.1 QB ALA 28 - HA GLN 101 far 0 100 0 - 7.6-18.9 QB ALA 15 - HA GLN 101 far 0 99 0 - 8.1-34.5 HB2 LEU 96 - HA GLN 101 far 0 99 0 - 8.2-9.9 QB ALA 16 - HA CYS 79 far 0 71 0 - 8.5-36.9 QB ALA 110 - HA GLN 101 far 0 99 0 - 8.5-17.1 HG2 LYS 19 - HA CYS 79 far 0 55 0 - 9.3-40.8 Violated in 20 structures by 0.65 A. Peak 10049 from cnoeabs.peaks (0.88, 2.30, 27.91 ppm; 4.70 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 98 + HB3 GLN 101 OK 100 100 100 100 3.9-5.3 4.0/3157=64...(23) QD2 LEU 70 + HB3 GLN 101 OK 53 71 80 93 2.5-8.2 11400/3.0=38...(22) QD1 LEU 98 - HB3 GLN 101 far 13 85 15 - 6.0-6.9 QG1 VAL 118 - HB3 GLN 101 far 0 87 0 - 6.4-7.8 QG2 VAL 63 - HB3 GLN 101 far 0 60 0 - 7.4-9.5 QD2 LEU 69 - HB3 GLN 101 far 0 96 0 - 8.6-12.7 QG2 VAL 20 - HB3 GLN 101 far 0 97 0 - 8.9-29.0 QG2 ILE 32 - HB3 GLN 101 far 0 65 0 - 9.0-19.3 QD2 LEU 123 - HB3 GLN 101 far 0 100 0 - 9.4-13.4 Violated in 2 structures by 0.02 A. Peak 10050 from cnoeabs.peaks (1.22, 2.21, 27.91 ppm; 6.18 A): 1 out of 1 assignment used, quality = 0.49: QG2 THR 65 + HB2 GLN 68 OK 49 49 100 100 4.0-6.3 11016/3.0=95...(23) Violated in 3 structures by 0.02 A. Peak 10051 from cnoeabs.peaks (1.79, 2.56, 33.80 ppm; 5.15 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 98 + HG3 GLN 101 OK 100 100 100 100 4.5-5.3 1.8/10052=65, ~3157=48...(41) HB3 LEU 103 + HG3 GLN 101 OK 69 99 90 77 5.5-7.2 11410/7451=30...(12) HB3 LEU 122 - HG3 GLN 101 far 15 99 15 - 6.3-9.5 HG LEU 100 - HG3 GLN 101 far 15 98 15 - 5.9-7.8 Violated in 0 structures by 0.00 A. Peak 10052 from cnoeabs.peaks (1.66, 2.56, 33.80 ppm; 5.82 A): 1 out of 8 assignments used, quality = 0.99: HB2 LEU 98 + HG3 GLN 101 OK 99 99 100 100 3.9-5.0 1.8/10051=62, ~3157=61...(34) HD3 LYS 95 - HG3 GLN 101 far 0 100 0 - 7.9-12.6 HD3 LYS 26 - HG3 GLN 101 far 0 100 0 - 8.6-29.4 HD2 LYS 95 - HG3 GLN 101 far 0 100 0 - 8.9-12.5 HD2 LYS 26 - HG3 GLN 101 far 0 100 0 - 9.2-28.0 HD3 LYS 24 - HG3 GLN 101 far 0 100 0 - 9.4-34.0 HD2 LYS 24 - HG3 GLN 101 far 0 100 0 - 9.5-35.2 HD2 LYS 31 - HG3 GLN 101 far 0 100 0 - 9.9-26.7 Violated in 0 structures by 0.00 A. Peak 10053 from cnoeabs.peaks (1.38, 2.56, 33.80 ppm; 6.18 A): 2 out of 13 assignments used, quality = 1.00: HB3 LEU 100 + HG3 GLN 101 OK 100 100 100 100 6.0-6.8 4.6/3314=89...(26) HG LEU 96 + HG3 GLN 101 OK 40 81 50 99 7.1-9.5 2.1/11504=98...(9) QB ALA 108 - HG3 GLN 101 poor 17 99 30 59 5.0-14.7 10084/10054=55...(3) QB ALA 29 - HG3 GLN 101 far 5 100 5 - 5.9-17.3 QB ALA 110 - HG3 GLN 101 far 5 99 5 - 7.7-18.3 HG3 LYS 26 - HG3 GLN 101 far 0 100 0 - 7.7-27.8 HB2 LEU 96 - HG3 GLN 101 far 0 100 0 - 8.2-9.7 HG3 LYS 95 - HG3 GLN 101 far 0 98 0 - 8.2-11.5 QB ALA 28 - HG3 GLN 101 far 0 99 0 - 8.5-21.0 QB ALA 109 - HG3 GLN 101 far 0 96 0 - 8.8-16.8 HG2 LYS 24 - HG3 GLN 101 far 0 100 0 - 9.4-33.4 HG2 LYS 95 - HG3 GLN 101 far 0 97 0 - 9.6-11.1 QB ALA 15 - HG3 GLN 101 far 0 99 0 - 9.8-37.0 Violated in 8 structures by 0.05 A. Peak 10054 from cnoeabs.peaks (0.99, 2.56, 33.80 ppm; 4.37 A): 2 out of 5 assignments used, quality = 0.63: QG2 VAL 105 + HG3 GLN 101 OK 51 96 55 97 4.8-9.1 ~11503=53, 11451/7439=48...(13) QG2 VAL 118 + HG3 GLN 101 OK 25 87 35 84 5.4-7.8 2.1/10269=34...(9) QD1 LEU 69 - HG3 GLN 101 far 0 89 0 - 8.0-13.8 QG2 VAL 126 - HG3 GLN 101 far 0 63 0 - 8.3-11.8 QD2 LEU 53 - HG3 GLN 101 far 0 71 0 - 9.3-16.6 Violated in 20 structures by 0.89 A. Peak 10055 from cnoeabs.peaks (0.87, 2.56, 33.80 ppm; 4.35 A): 3 out of 7 assignments used, quality = 1.00: QD2 LEU 98 + HG3 GLN 101 OK 100 100 100 100 2.7-4.9 10057/3.5=42, ~10056=42...(19) QD1 LEU 98 + HG3 GLN 101 OK 91 97 95 99 4.4-6.2 10056/1.8=51...(18) QD2 LEU 70 + HG3 GLN 101 OK 28 89 35 89 4.5-7.8 11400/3278=26, ~9489=23...(18) QG1 VAL 118 - HG3 GLN 101 far 3 68 5 - 5.6-7.8 QG2 VAL 20 - HG3 GLN 101 far 0 87 0 - 6.8-31.1 QD2 LEU 69 - HG3 GLN 101 far 0 100 0 - 9.6-13.1 QD2 LEU 123 - HG3 GLN 101 far 0 97 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 10056 from cnoeabs.peaks (0.88, 2.42, 33.80 ppm; 4.51 A): 3 out of 18 assignments used, quality = 1.00: QD2 LEU 98 + HG2 GLN 101 OK 99 100 100 100 2.5-4.6 10057/3.5=44...(19) QD1 LEU 98 + HG2 GLN 101 OK 80 85 95 99 4.5-6.2 10055/1.8=35...(18) QG2 VAL 57 + HG3 GLN 61 OK 65 68 95 100 3.3-6.3 10938/1.8=89...(27) QD2 LEU 70 - HG2 GLN 101 poor 19 71 30 91 4.3-8.9 2.1/9489=34...(16) QD2 LEU 123 - HG3 GLN 61 far 13 87 15 - 4.8-11.0 QD2 LEU 48 - HG3 GLN 61 poor 13 51 25 - 3.1-12.1 QG2 VAL 63 - HG3 GLN 61 far 5 46 10 - 5.8-7.9 QG2 VAL 20 - HG3 GLN 61 far 4 82 5 - 4.5-25.7 QG1 VAL 20 - HG3 GLN 61 far 3 53 5 - 5.8-28.0 QG1 VAL 118 - HG2 GLN 101 far 0 87 0 - 6.2-8.0 QD1 LEU 22 - HG3 GLN 61 far 0 78 0 - 6.5-25.3 QG2 VAL 20 - HG2 GLN 101 far 0 97 0 - 7.5-30.8 QD2 LEU 69 - HG3 GLN 61 far 0 79 0 - 7.7-14.0 QG2 VAL 63 - HG2 GLN 101 far 0 60 0 - 7.8-9.6 QG1 VAL 118 - HG3 GLN 61 far 0 70 0 - 8.0-14.3 QG2 ILE 32 - HG3 GLN 61 far 0 51 0 - 8.1-16.9 QD2 LEU 70 - HG3 GLN 61 far 0 55 0 - 9.6-13.5 QG1 VAL 20 - HG2 GLN 101 far 0 68 0 - 9.7-33.4 Violated in 0 structures by 0.00 A. Peak 10069 from cnoeabs.peaks (2.07, 0.78, 24.12 ppm; 3.73 A): 1 out of 17 assignments used, quality = 0.90: HB VAL 118 + QD1 LEU 103 OK 90 96 95 99 1.9-8.0 11611=57, 2.1/10265=46...(33) HB2 LEU 62 - QD1 LEU 103 poor 19 96 20 - 5.0-8.5 HG3 PRO 113 - QD1 LEU 103 far 10 99 10 - 2.7-11.4 HG2 PRO 117 - QD1 LEU 103 far 9 92 10 - 3.5-11.7 HG3 PRO 117 - QD1 LEU 103 far 4 87 5 - 4.6-12.7 HB2 GLU 102 - QD1 LEU 103 far 0 95 0 - 5.7-6.7 HB3 GLN 27 - QD1 LEU 96 far 0 66 0 - 6.4-19.1 HB2 GLU 128 - QD1 LEU 96 far 0 62 0 - 6.5-9.6 HB2 GLN 127 - QD1 LEU 96 far 0 62 0 - 6.7-9.9 HB3 GLN 27 - QD1 LEU 103 far 0 99 0 - 7.0-20.3 QE MET 11 - QD1 LEU 103 far 0 63 0 - 7.5-35.8 HB VAL 57 - QD1 LEU 103 far 0 81 0 - 7.5-11.0 HG3 PRO 58 - QD1 LEU 103 far 0 100 0 - 8.1-10.1 HB VAL 118 - QD1 LEU 96 far 0 62 0 - 8.4-10.6 HB2 LEU 62 - QD1 LEU 96 far 0 62 0 - 8.5-12.1 HB2 GLU 102 - QD1 LEU 96 far 0 61 0 - 8.7-11.9 HB2 GLN 61 - QD1 LEU 103 far 0 60 0 - 9.5-11.6 Violated in 7 structures by 0.37 A. Peak 10081 from cnoeabs.peaks (1.38, 4.19, 62.60 ppm; 5.30 A): 0 out of 12 assignments used, quality = 0.00: QB ALA 109 - HA VAL 105 poor 20 100 20 - 4.9-10.7 QB ALA 28 - HA VAL 105 far 15 100 15 - 5.7-22.3 QB ALA 108 - HA VAL 105 far 15 100 15 - 6.7-9.5 QB ALA 29 - HA VAL 105 far 10 100 10 - 3.3-20.1 HG3 LYS 26 - HA VAL 105 far 5 100 5 - 4.8-28.6 QB ALA 15 - HA VAL 105 far 5 100 5 - 5.8-40.8 QB ALA 110 - HA VAL 105 far 5 100 5 - 5.9-13.6 QB ALA 16 - HA VAL 105 far 4 81 5 - 6.1-37.8 QB ALA 12 - HA VAL 105 far 4 73 5 - 6.3-42.1 HB3 LEU 100 - HA VAL 105 far 0 100 0 - 8.4-11.9 HG3 LYS 31 - HA VAL 105 far 0 99 0 - 9.0-27.5 HG2 LYS 24 - HA VAL 105 far 0 100 0 - 9.4-37.1 Violated in 13 structures by 0.87 A. Peak 10082 from cnoeabs.peaks (1.39, 2.26, 31.98 ppm; 5.08 A): 0 out of 16 assignments used, quality = 0.00: QB ALA 109 - HB VAL 105 poor 20 100 20 - 4.7-11.5 QB ALA 109 - HB3 PRO 113 far 13 85 15 - 4.9-11.5 QB ALA 108 - HB VAL 105 far 10 100 10 - 5.0-8.9 QB ALA 29 - HB VAL 105 far 10 98 10 - 5.0-21.0 QB ALA 28 - HB VAL 105 far 5 99 5 - 6.6-23.8 QB ALA 15 - HB VAL 105 far 5 99 5 - 6.6-41.4 HG3 LYS 26 - HB VAL 105 far 5 99 5 - 6.4-29.8 QB ALA 16 - HB VAL 105 far 5 92 5 - 5.5-38.9 QB ALA 15 - HB3 PRO 113 far 4 83 5 - 4.9-39.7 QB ALA 110 - HB3 PRO 113 far 0 83 0 - 6.8-10.3 QB ALA 110 - HB VAL 105 far 0 99 0 - 6.8-13.9 QB ALA 108 - HB3 PRO 113 far 0 84 0 - 7.4-14.8 QB ALA 16 - HB3 PRO 113 far 0 73 0 - 7.6-39.5 HB3 LEU 100 - HB3 PRO 113 far 0 80 0 - 8.1-17.9 HG2 LYS 19 - HB3 PRO 113 far 0 54 0 - 9.7-44.0 HB3 LEU 100 - HB VAL 105 far 0 97 0 - 9.8-12.2 Violated in 14 structures by 0.64 A. Peak 10083 from cnoeabs.peaks (2.54, 1.00, 20.13 ppm; 3.93 A): 2 out of 3 assignments used, quality = 0.70: HG3 GLU 102 + QG2 VAL 105 OK 56 93 60 100 3.4-9.4 11506=87, 1.8/11413=69...(9) HG3 GLN 101 + QG2 VAL 105 OK 32 85 40 95 4.8-9.1 10054=53, ~11503=43...(13) HG3 MET 11 - QG2 VAL 105 far 0 92 0 - 7.5-46.4 Violated in 15 structures by 1.34 A. Peak 10084 from cnoeabs.peaks (1.38, 1.00, 20.13 ppm; 3.78 A): 1 out of 12 assignments used, quality = 0.20: QB ALA 108 + QG2 VAL 105 OK 20 100 30 67 3.0-6.9 11532/11466=26...(10) QB ALA 109 - QG2 VAL 105 poor 7 100 30 23 2.4-9.2 11532/11466=13...(6) QB ALA 110 - QG2 VAL 105 far 5 100 5 - 5.2-10.8 QB ALA 29 - QG2 VAL 105 far 5 100 5 - 5.2-16.0 QB ALA 28 - QG2 VAL 105 far 0 100 0 - 5.7-18.7 QB ALA 16 - QG2 VAL 105 far 0 81 0 - 6.2-31.0 HG3 LYS 26 - QG2 VAL 105 far 0 100 0 - 6.4-23.3 QB ALA 15 - QG2 VAL 105 far 0 100 0 - 6.5-32.9 QB ALA 12 - QG2 VAL 105 far 0 73 0 - 6.6-34.3 HB3 LEU 100 - QG2 VAL 105 far 0 100 0 - 6.8-9.5 HG3 LYS 31 - QG2 VAL 105 far 0 99 0 - 8.8-23.0 HG LEU 96 - QG2 VAL 105 far 0 93 0 - 9.7-12.9 Violated in 18 structures by 1.90 A. Peak 10085 from cnoeabs.peaks (2.40, 0.96, 20.99 ppm; 3.71 A): 1 out of 7 assignments used, quality = 0.42: HG2 GLN 104 + QG1 VAL 105 OK 42 76 60 93 2.6-6.5 11457/2.1=62...(8) HG2 GLN 101 - QG1 VAL 105 far 12 81 15 - 3.1-9.6 HG2 GLN 104 - QG1 VAL 112 far 2 45 5 - 4.8-16.4 HB3 PRO 58 - QG1 VAL 112 far 0 65 0 - 5.8-13.6 HG3 GLU 97 - QG1 VAL 105 far 0 87 0 - 6.6-12.1 HG3 GLN 61 - QG1 VAL 112 far 0 63 0 - 7.4-14.8 HG3 GLU 55 - QG1 VAL 112 far 0 67 0 - 9.4-16.1 Violated in 11 structures by 0.95 A. Peak 10086 from cnoeabs.peaks (4.04, 1.00, 20.13 ppm; 3.23 A): 2 out of 4 assignments used, quality = 0.77: HA GLU 102 + QG2 VAL 105 OK 69 99 70 99 1.9-6.8 11508=71, 3465/2.1=44...(14) HA LEU 103 + QG2 VAL 105 OK 26 65 70 56 2.4-7.3 3.6/10070=23...(7) HA LEU 119 - QG2 VAL 105 far 0 87 0 - 9.2-12.4 HA LEU 96 - QG2 VAL 105 far 0 100 0 - 9.9-13.0 Violated in 6 structures by 0.76 A. Peak 10090 from cnoeabs.peaks (3.95, 0.96, 20.99 ppm; 4.76 A): 5 out of 24 assignments used, quality = 0.99: HB2 SER 106 + QG1 VAL 105 OK 80 89 90 100 4.6-6.6 3.0/11534=70...(21) HA3 GLY 111 + QG1 VAL 112 OK 68 68 100 100 4.7-6.0 3.6/7589=72, ~10661=68...(14) HD3 PRO 113 + QG1 VAL 112 OK 62 62 100 100 2.8-3.4 4.4=100 HA2 GLY 111 + QG1 VAL 112 OK 53 53 100 99 4.8-5.9 3.6/7589=72, 4.8/3550=62...(12) HB3 SER 106 + QG1 VAL 105 OK 42 60 70 100 4.6-6.7 3.0/11534=70...(22) HD3 PRO 117 - QG1 VAL 112 far 7 69 10 - 5.3-10.2 HB3 SER 107 - QG1 VAL 105 far 5 97 5 - 6.2-8.4 HA LEU 100 - QG1 VAL 105 far 5 96 5 - 6.1-8.8 HB2 SER 107 - QG1 VAL 112 far 2 38 5 - 6.1-15.5 HB2 SER 107 - QG1 VAL 105 far 0 65 0 - 6.6-7.7 HB3 SER 107 - QG1 VAL 112 far 0 63 0 - 6.8-15.1 HA3 GLY 111 - QG1 VAL 105 far 0 100 0 - 6.8-16.0 HA2 GLY 111 - QG1 VAL 105 far 0 87 0 - 6.9-14.9 HA3 GLY 14 - QG1 VAL 112 far 0 32 0 - 7.1-40.7 HA3 GLY 14 - QG1 VAL 105 far 0 57 0 - 7.7-38.0 HA2 GLY 17 - QG1 VAL 105 far 0 96 0 - 7.7-38.7 HA3 GLY 17 - QG1 VAL 112 far 0 62 0 - 8.0-40.8 HA LEU 100 - QG1 VAL 112 far 0 62 0 - 8.0-14.5 HA3 GLY 17 - QG1 VAL 105 far 0 96 0 - 8.1-37.2 HD3 PRO 113 - QG1 VAL 105 far 0 96 0 - 8.2-17.5 HB2 SER 106 - QG1 VAL 112 far 0 55 0 - 8.3-14.0 HB3 SER 106 - QG1 VAL 112 far 0 34 0 - 8.4-13.6 HD3 PRO 117 - QG1 VAL 105 far 0 100 0 - 9.0-16.1 HA2 GLY 17 - QG1 VAL 112 far 0 62 0 - 9.1-42.1 Violated in 0 structures by 0.00 A. Peak 10091 from cnoeabs.peaks (2.25, 3.98, 63.90 ppm; 5.46 A): 2 out of 19 assignments used, quality = 0.99: HB VAL 105 + HB3 SER 106 OK 95 95 100 100 3.1-6.4 7537/4.0=80, ~11466=65...(19) HB VAL 105 + HB2 SER 106 OK 78 78 100 100 3.2-6.6 7537/4.0=80, ~11466=65...(16) HB3 GLN 104 - HB3 SER 106 poor 11 57 20 - 6.2-9.4 HB3 GLN 104 - HB2 SER 106 poor 9 44 20 - 6.4-9.9 HB3 GLU 102 - HB3 SER 107 poor 9 29 30 - 3.5-14.6 HB3 GLU 102 - HB3 SER 106 poor 8 76 35 30 4.0-12.4 11507/10095=11...(6) HB3 GLN 104 - HB3 SER 107 poor 6 20 30 - 3.6-9.2 HB3 GLU 102 - HB2 SER 106 poor 6 59 35 28 3.9-11.3 11507/10095=10...(6) HB VAL 105 - HB3 SER 107 far 4 40 10 - 6.6-8.7 HG2 GLU 97 - HB3 SER 107 far 3 33 10 - 6.4-16.8 HB3 PRO 113 - HB3 SER 107 far 3 30 10 - 3.6-20.4 HG2 GLN 68 - HB3 SER 107 far 0 31 0 - 7.2-17.0 HG2 GLU 97 - HB2 SER 106 far 0 68 0 - 7.6-16.5 HB3 LEU 96 - HB3 SER 107 far 0 37 0 - 8.4-19.7 HB3 PRO 113 - HB2 SER 106 far 0 62 0 - 8.5-21.2 HG2 GLU 97 - HB3 SER 106 far 0 85 0 - 8.7-16.8 HB3 PRO 113 - HB3 SER 106 far 0 78 0 - 8.8-20.9 HG2 GLN 61 - HB2 SER 106 far 0 46 0 - 9.3-19.1 HG2 GLN 68 - HB3 SER 106 far 0 81 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 10093 from cnoeabs.peaks (2.27, 4.46, 58.89 ppm; 4.64 A): 1 out of 5 assignments used, quality = 0.97: HB VAL 105 + HA SER 106 OK 97 97 100 100 4.0-4.6 2.1/11466=88...(18) HB3 GLN 101 - HA SER 106 poor 15 73 20 - 3.0-13.2 HG2 GLU 30 - HA SER 106 far 5 97 5 - 5.8-28.8 HB3 PRO 113 - HA SER 106 far 0 100 0 - 6.3-20.2 HG2 GLU 97 - HA SER 106 far 0 100 0 - 6.9-17.0 Violated in 0 structures by 0.00 A. Peak 10094 from cnoeabs.peaks (1.39, 3.98, 63.90 ppm; 4.20 A): 3 out of 37 assignments used, quality = 0.87: QB ALA 108 + HB2 SER 106 OK 53 86 70 88 4.0-7.7 11532/3.0=40...(12) QB ALA 108 + HB3 SER 106 OK 50 100 55 90 2.6-7.4 11532/3.0=40...(13) QB ALA 108 + HB3 SER 107 OK 43 46 100 94 3.2-5.5 7559/4.7=52, ~7556=41...(10) QB ALA 110 - HB2 SER 106 poor 17 86 20 - 3.1-11.8 QB ALA 28 - HB3 SER 107 poor 16 45 35 - 2.8-20.1 QB ALA 110 - HB3 SER 106 far 15 100 15 - 2.4-11.2 QB ALA 109 - HB3 SER 106 poor 13 100 30 45 4.1-9.0 11532/3.0=19...(9) QB ALA 28 - HB3 SER 106 far 10 100 10 - 4.2-24.7 QB ALA 109 - HB2 SER 106 poor 10 87 30 37 4.4-9.3 11532/3.0=19...(6) QB ALA 29 - HB3 SER 107 poor 9 44 20 - 2.2-17.3 QB ALA 28 - HB2 SER 106 far 9 86 10 - 4.0-24.5 QB ALA 109 - HB3 SER 107 far 7 46 15 - 4.1-8.8 QB ALA 29 - HB3 SER 106 far 5 99 5 - 5.1-21.9 QB ALA 110 - HB3 SER 107 far 4 45 10 - 3.5-11.7 HG3 LYS 26 - HB3 SER 107 far 4 44 10 - 4.2-26.7 QB ALA 16 - HB3 SER 106 far 4 89 5 - 5.1-39.5 QB ALA 29 - HB2 SER 106 far 4 84 5 - 5.5-21.8 QB ALA 15 - HB2 SER 106 far 0 86 0 - 5.8-42.5 QB ALA 15 - HB3 SER 106 far 0 100 0 - 5.9-42.8 HB3 LEU 100 - HB3 SER 107 far 0 43 0 - 6.1-13.5 QB ALA 16 - HB2 SER 106 far 0 71 0 - 6.2-40.0 HG3 LYS 31 - HB3 SER 107 far 0 46 0 - 6.4-25.5 HG3 LYS 31 - HB3 SER 106 far 0 100 0 - 6.6-30.6 QB ALA 12 - HB3 SER 106 far 0 63 0 - 6.7-44.4 QB ALA 12 - HB2 SER 106 far 0 48 0 - 7.0-44.2 HG2 LYS 24 - HB3 SER 107 far 0 43 0 - 7.3-34.7 HG LEU 96 - HB3 SER 107 far 0 42 0 - 7.4-17.3 QB ALA 15 - HB3 SER 107 far 0 45 0 - 7.7-38.9 HG3 LYS 31 - HB2 SER 106 far 0 86 0 - 8.1-30.4 HG3 LYS 26 - HB3 SER 106 far 0 99 0 - 8.9-31.4 QB ALA 12 - HB3 SER 107 far 0 23 0 - 9.0-40.4 HB3 LEU 100 - HB2 SER 106 far 0 83 0 - 9.1-12.1 HG2 LYS 24 - HB2 SER 106 far 0 83 0 - 9.5-39.5 HG2 LYS 19 - HB3 SER 106 far 0 76 0 - 9.6-50.2 HG2 LYS 19 - HB2 SER 106 far 0 59 0 - 9.8-50.1 HB3 LEU 100 - HB3 SER 106 far 0 99 0 - 9.8-12.6 HG LEU 96 - HB2 SER 106 far 0 82 0 - 9.9-16.5 Violated in 3 structures by 0.03 A. Peak 10095 from cnoeabs.peaks (1.00, 3.98, 63.90 ppm; 3.89 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 105 + HB3 SER 106 OK 99 100 100 99 2.9-4.8 11466/3.0=57...(20) QG2 VAL 105 + HB2 SER 106 OK 85 86 100 98 2.8-4.4 11466/3.0=57...(17) QG2 VAL 118 - HB3 SER 107 poor 11 43 25 - 1.8-12.4 QG2 VAL 105 - HB3 SER 107 far 7 46 15 - 5.1-7.3 QG2 VAL 118 - HB2 SER 106 far 0 83 0 - 6.3-11.8 QG2 VAL 118 - HB3 SER 106 far 0 98 0 - 6.7-12.3 QD1 LEU 69 - HB3 SER 107 far 0 43 0 - 9.2-15.6 Violated in 0 structures by 0.00 A. Peak 10096 from cnoeabs.peaks (0.78, 3.98, 63.90 ppm; 4.33 A): 3 out of 27 assignments used, quality = 0.54: QG1 VAL 63 + HB3 SER 106 OK 24 99 30 80 4.6-10.4 2.1/11854=40, ~11854=22...(10) QD1 LEU 103 + HB3 SER 106 OK 23 99 35 65 3.6-10.4 11535/3.0=30...(13) QD1 LEU 103 + HB2 SER 106 OK 22 85 40 63 3.8-10.0 11535/3.0=30...(12) QD1 LEU 103 - HB3 SER 107 poor 13 44 30 - 2.8-10.5 QG1 VAL 63 - HB3 SER 107 poor 10 44 50 45 1.9-7.9 11486/4.7=21...(7) QG1 VAL 63 - HB2 SER 106 far 8 84 10 - 4.1-10.3 QD1 ILE 32 - HB3 SER 107 far 2 46 5 - 4.6-16.8 QD2 LEU 122 - HB3 SER 107 far 2 41 5 - 5.4-13.1 QD2 LEU 119 - HB3 SER 107 far 1 26 5 - 4.9-14.6 QD1 LEU 96 - HB3 SER 107 far 0 45 0 - 6.4-16.2 QD2 LEU 96 - HB3 SER 107 far 0 24 0 - 7.0-15.4 QD2 LEU 122 - HB3 SER 106 far 0 97 0 - 7.3-12.9 QD2 LEU 122 - HB2 SER 106 far 0 80 0 - 7.3-12.5 QD2 LEU 119 - HB2 SER 106 far 0 55 0 - 7.6-14.8 QG1 VAL 93 - HB3 SER 107 far 0 25 0 - 7.6-17.6 QD1 LEU 53 - HB3 SER 107 far 0 35 0 - 7.7-19.3 QD1 ILE 32 - HB3 SER 106 far 0 100 0 - 7.8-21.1 QD1 ILE 32 - HB2 SER 106 far 0 87 0 - 7.8-20.8 QD2 LEU 119 - HB3 SER 106 far 0 71 0 - 8.2-14.7 QD2 LEU 96 - HB2 SER 106 far 0 50 0 - 8.5-14.9 QD2 LEU 49 - HB3 SER 107 far 0 31 0 - 8.8-15.0 QD1 LEU 96 - HB2 SER 106 far 0 86 0 - 9.0-15.3 QD1 LEU 96 - HB3 SER 106 far 0 100 0 - 9.3-15.2 QD2 LEU 96 - HB3 SER 106 far 0 65 0 - 9.4-15.0 QD1 LEU 53 - HB2 SER 106 far 0 70 0 - 9.5-19.1 QD1 LEU 53 - HB3 SER 106 far 0 87 0 - 9.7-19.7 QG1 VAL 93 - HB3 SER 106 far 0 68 0 - 9.8-17.4 Violated in 14 structures by 1.23 A. Peak 10104 from cnoeabs.peaks (1.40, 3.96, 63.62 ppm; 4.58 A): 3 out of 32 assignments used, quality = 0.96: QB ALA 108 + HB3 SER 107 OK 90 92 100 98 3.2-5.5 7559/4.7=56, ~7556=49...(12) QB ALA 108 + HB2 SER 106 OK 48 65 80 93 4.0-7.7 11532/3.0=46...(12) QB ALA 108 + HB3 SER 106 OK 23 38 65 92 2.6-7.4 11532/3.0=46...(10) QB ALA 29 - HB3 SER 107 poor 17 85 20 - 2.2-17.3 QB ALA 109 - HB3 SER 106 poor 14 41 35 - 4.1-9.0 QB ALA 110 - HB2 SER 106 poor 12 62 20 - 3.1-11.8 QB ALA 109 - HB3 SER 107 poor 11 97 25 45 4.1-8.8 ~3508=12, 3526/4.7=9...(10) QB ALA 109 - HB2 SER 106 poor 10 70 30 45 4.4-9.3 11532/3.0=21...(8) QB ALA 110 - HB3 SER 107 far 9 89 10 - 3.5-11.7 HG3 LYS 26 - HB3 SER 107 far 9 87 10 - 4.2-26.7 QB ALA 110 - HB3 SER 106 poor 7 36 20 - 2.4-11.2 QB ALA 28 - HB2 SER 106 far 6 63 10 - 4.0-24.5 QB ALA 28 - HB3 SER 106 far 6 37 15 - 4.2-24.7 HB3 LEU 100 - HB3 SER 107 far 4 83 5 - 6.1-13.5 QB ALA 15 - HB3 SER 106 far 4 36 10 - 5.9-42.8 QB ALA 15 - HB2 SER 106 far 3 62 5 - 5.8-42.5 QB ALA 29 - HB2 SER 106 far 3 58 5 - 5.5-21.8 QB ALA 16 - HB3 SER 106 far 2 45 5 - 5.1-39.5 QB ALA 29 - HB3 SER 106 far 2 33 5 - 5.1-21.9 QB ALA 28 - HB3 SER 107 lone 1 90 40 1 2.8-20.1 QB ALA 16 - HB2 SER 106 far 0 75 0 - 6.2-40.0 HG3 LYS 31 - HB3 SER 107 far 0 98 0 - 6.4-25.5 HG3 LYS 31 - HB3 SER 106 far 0 43 0 - 6.6-30.6 HG2 LYS 24 - HB3 SER 107 far 0 83 0 - 7.3-34.7 HG LEU 96 - HB3 SER 107 far 0 100 0 - 7.4-17.3 QB ALA 15 - HB3 SER 107 far 0 89 0 - 7.7-38.9 HG3 LYS 31 - HB2 SER 106 far 0 72 0 - 8.1-30.4 HG3 LYS 26 - HB3 SER 106 far 0 35 0 - 8.9-31.4 HB3 LEU 100 - HB2 SER 106 far 0 56 0 - 9.1-12.1 HG2 LYS 24 - HB2 SER 106 far 0 56 0 - 9.5-39.5 HB3 LEU 100 - HB3 SER 106 far 0 32 0 - 9.8-12.6 HG LEU 96 - HB2 SER 106 far 0 76 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 10105 from cnoeabs.peaks (1.01, 3.96, 63.62 ppm; 3.90 A): 3 out of 7 assignments used, quality = 0.89: QG2 VAL 105 + HB2 SER 106 OK 74 76 100 99 2.8-4.4 11466/3.0=56...(17) QG2 VAL 105 + HB3 SER 106 OK 45 45 100 99 2.9-4.8 11466/3.0=56...(18) QG2 VAL 118 + HB3 SER 107 OK 22 100 25 89 1.8-12.4 2.1/11853=61...(11) QG2 VAL 105 - HB3 SER 107 far 15 100 15 - 5.1-7.3 QG2 VAL 118 - HB2 SER 106 far 0 76 0 - 6.3-11.8 QG2 VAL 118 - HB3 SER 106 far 0 46 0 - 6.7-12.3 QD1 LEU 69 - HB3 SER 107 far 0 100 0 - 9.2-15.6 Violated in 0 structures by 0.00 A. Peak 10106 from cnoeabs.peaks (0.78, 3.96, 63.62 ppm; 4.42 A): 2 out of 27 assignments used, quality = 0.44: QG1 VAL 63 + HB3 SER 107 OK 25 100 50 50 1.9-7.9 11486/4.7=22...(7) QD1 LEU 103 + HB3 SER 107 OK 25 100 30 83 2.8-10.5 10069/11473=37...(20) QD1 LEU 103 - HB2 SER 106 poor 19 76 40 64 3.8-10.0 11535/3.0=31...(11) QD1 LEU 103 - HB3 SER 106 poor 16 46 35 - 3.6-10.4 QG1 VAL 63 - HB3 SER 106 poor 14 45 30 - 4.6-10.4 QG1 VAL 63 - HB2 SER 106 far 8 76 10 - 4.1-10.3 QD1 ILE 32 - HB3 SER 107 far 5 100 5 - 4.6-16.8 QD2 LEU 122 - HB3 SER 107 far 5 99 5 - 5.4-13.1 QD2 LEU 119 - HB3 SER 107 far 4 78 5 - 4.9-14.6 QD1 LEU 122 - HB3 SER 107 far 3 63 5 - 5.5-13.4 QD1 LEU 96 - HB3 SER 107 far 0 99 0 - 6.4-16.2 QD2 LEU 122 - HB3 SER 106 far 0 43 0 - 7.3-12.9 QD2 LEU 122 - HB2 SER 106 far 0 73 0 - 7.3-12.5 QD2 LEU 119 - HB2 SER 106 far 0 53 0 - 7.6-14.8 QG1 VAL 93 - HB3 SER 107 far 0 60 0 - 7.6-17.6 QD1 LEU 53 - HB3 SER 107 far 0 92 0 - 7.7-19.3 QD1 ILE 32 - HB3 SER 106 far 0 46 0 - 7.8-21.1 QD1 ILE 32 - HB2 SER 106 far 0 76 0 - 7.8-20.8 QD2 LEU 119 - HB3 SER 106 far 0 30 0 - 8.2-14.7 QD2 LEU 49 - HB3 SER 107 far 0 87 0 - 8.8-15.0 QD1 LEU 122 - HB2 SER 106 far 0 41 0 - 8.9-12.9 QD1 LEU 96 - HB2 SER 106 far 0 74 0 - 9.0-15.3 QD1 LEU 122 - HB3 SER 106 far 0 23 0 - 9.1-13.1 QD1 LEU 96 - HB3 SER 106 far 0 44 0 - 9.3-15.2 QD1 LEU 53 - HB2 SER 106 far 0 65 0 - 9.5-19.1 QD1 LEU 53 - HB3 SER 106 far 0 38 0 - 9.7-19.7 QG1 VAL 93 - HB3 SER 106 far 0 22 0 - 9.8-17.4 Violated in 11 structures by 0.63 A. Peak 10107 from cnoeabs.peaks (1.82, 3.92, 63.62 ppm; 4.64 A): 2 out of 14 assignments used, quality = 0.85: HB ILE 32 + HB2 SER 33 OK 73 86 85 100 4.9-6.5 4.4/6367=62...(23) HB2 LYS 36 + HB2 SER 33 OK 43 86 55 92 2.4-8.1 10856/1.8=32...(16) HB3 LYS 26 - HB2 SER 33 far 13 87 15 - 5.1-18.6 HB3 ARG 23 - HB2 SER 107 far 10 100 10 - 2.9-35.7 HB3 LYS 26 - HB2 SER 107 far 10 100 10 - 2.3-27.8 HB3 LYS 31 - HB2 SER 107 far 5 97 5 - 5.7-28.3 HB3 LYS 24 - HB2 SER 33 far 4 83 5 - 4.4-23.2 HB3 LYS 31 - HB2 SER 33 far 0 81 0 - 6.3-9.0 HB3 ARG 23 - HB2 SER 33 far 0 87 0 - 6.7-24.5 HB2 LEU 100 - HB2 SER 107 far 0 100 0 - 7.6-13.6 HB3 LEU 122 - HB2 SER 107 far 0 60 0 - 7.8-16.1 HB ILE 32 - HB2 SER 107 far 0 100 0 - 8.4-23.2 HB3 LYS 24 - HB2 SER 107 far 0 98 0 - 8.7-33.8 HB2 CYS 79 - HB2 SER 33 far 0 74 0 - 9.2-20.7 Violated in 14 structures by 0.35 A. Peak 10109 from cnoeabs.peaks (1.40, 3.92, 63.62 ppm; 4.14 A): 3 out of 23 assignments used, quality = 0.96: QB ALA 108 + HB2 SER 107 OK 79 83 100 96 3.3-5.5 2.9/7556=60...(10) QB ALA 34 + HB2 SER 33 OK 73 77 95 100 3.5-6.0 2.9/6373=68...(12) HG2 LYS 36 + HB2 SER 33 OK 23 58 45 89 3.5-7.7 10784/1.8=20...(16) QB ALA 109 - HB2 SER 107 poor 18 90 20 - 3.8-8.4 QB ALA 29 - HB2 SER 107 far 11 73 15 - 3.2-18.4 QB ALA 110 - HB2 SER 107 far 8 78 10 - 2.2-11.1 HG3 LYS 31 - HB2 SER 33 far 8 77 10 - 4.7-10.1 HG3 LYS 26 - HB2 SER 107 far 8 76 10 - 5.3-28.0 HG2 LYS 26 - HB2 SER 33 far 7 49 15 - 3.4-20.9 HG2 LYS 26 - HB2 SER 107 far 6 63 10 - 4.5-27.0 HG3 LYS 26 - HB2 SER 33 far 6 60 10 - 3.1-20.6 QB ALA 29 - HB2 SER 33 far 6 58 10 - 4.8-10.0 HG3 LYS 31 - HB2 SER 107 far 5 93 5 - 5.0-26.5 QB ALA 15 - HB2 SER 33 far 3 62 5 - 4.3-25.7 QB ALA 28 - HB2 SER 107 lone 0 81 30 1 1.9-21.0 HG2 LYS 24 - HB2 SER 33 far 0 56 0 - 5.8-24.5 QB ALA 15 - HB2 SER 107 far 0 78 0 - 6.2-40.0 HB3 LEU 100 - HB2 SER 107 far 0 71 0 - 7.7-13.8 QB ALA 16 - HB2 SER 33 far 0 87 0 - 7.8-24.9 HG LEU 96 - HB2 SER 107 far 0 99 0 - 8.5-17.3 HG2 LYS 24 - HB2 SER 107 far 0 71 0 - 8.7-35.9 QB ALA 16 - HB2 SER 107 far 0 100 0 - 8.7-36.5 QB ALA 28 - HB2 SER 33 far 0 64 0 - 8.7-11.7 Violated in 6 structures by 0.07 A. Peak 10110 from cnoeabs.peaks (0.96, 3.92, 63.62 ppm; 5.39 A): 0 out of 7 assignments used, quality = 0.00: QG1 VAL 105 - HB2 SER 107 poor 18 100 20 92 6.6-7.7 11448/4.1=60, ~10113=52...(8) QG2 ILE 37 - HB2 SER 33 poor 12 58 20 - 5.3-9.0 QG1 VAL 112 - HB2 SER 107 far 5 99 5 - 6.1-15.5 QD1 LEU 119 - HB2 SER 107 far 4 87 5 - 3.5-15.6 QD2 LEU 53 - HB2 SER 107 far 0 99 0 - 7.5-20.5 QG2 VAL 126 - HB2 SER 107 far 0 100 0 - 9.1-16.7 QG1 VAL 126 - HB2 SER 107 far 0 100 0 - 9.5-15.6 Violated in 17 structures by 0.85 A. Peak 10111 from cnoeabs.peaks (0.81, 3.92, 63.62 ppm; 5.34 A): 0 out of 10 assignments used, quality = 0.00: QD1 LEU 70 - HB2 SER 107 far 15 100 15 - 5.5-12.8 QD2 LEU 119 - HB2 SER 107 far 5 95 5 - 5.5-15.1 QD2 LEU 122 - HB2 SER 107 far 3 65 5 - 6.8-13.3 QD2 LEU 22 - HB2 SER 107 far 3 63 5 - 5.2-33.5 QD1 LEU 122 - HB2 SER 107 far 0 99 0 - 6.9-13.3 QD2 LEU 22 - HB2 SER 33 far 0 49 0 - 7.2-24.2 QD1 LEU 53 - HB2 SER 107 far 0 83 0 - 8.5-19.9 QD1 LEU 70 - HB2 SER 33 far 0 86 0 - 9.6-16.4 QD2 LEU 49 - HB2 SER 107 far 0 89 0 - 9.7-15.6 QG2 ILE 129 - HB2 SER 33 far 0 84 0 - 9.9-16.0 Violated in 18 structures by 1.49 A. Peak 10112 from cnoeabs.peaks (1.39, 4.39, 58.42 ppm; 4.82 A): 3 out of 30 assignments used, quality = 1.00: QB ALA 108 + HA SER 107 OK 98 98 100 100 3.6-4.7 2.9/7555=92...(15) HG2 LYS 36 + HA SER 33 OK 75 80 95 99 3.9-7.7 3.0/10775=39...(27) QB ALA 34 + HA SER 33 OK 57 57 100 100 4.0-4.8 5.0=89, 2.9/939=76...(16) QB ALA 109 - HA SER 107 poor 19 100 35 53 4.9-7.9 3526/7555=14...(10) QB ALA 110 - HA SER 107 far 14 97 15 - 4.8-10.9 QB ALA 29 - HA SER 33 poor 11 80 25 56 4.0-9.1 10790/10774=42...(3) HB3 LEU 100 - HA SER 107 far 9 93 10 - 5.5-11.3 HG3 LYS 26 - HA SER 33 far 8 82 10 - 4.3-20.0 HG3 LYS 26 - HA SER 107 far 5 96 5 - 5.8-27.6 HG3 LYS 31 - HA SER 33 far 4 89 5 - 6.2-9.8 QB ALA 15 - HA SER 33 far 4 83 5 - 6.0-25.4 HG2 LYS 19 - HA SER 9 far 3 53 5 - 5.3-21.9 QB ALA 28 - HA SER 107 lone 0 97 35 1 2.0-21.4 QB ALA 29 - HA SER 107 lone 0 95 30 1 2.3-18.1 HG2 LYS 24 - HA SER 9 far 0 85 0 - 6.4-30.9 HG3 LYS 31 - HA SER 107 far 0 100 0 - 6.7-26.8 HG LEU 96 - HA SER 107 far 0 100 0 - 6.8-15.4 HG2 LYS 24 - HA SER 33 far 0 79 0 - 7.4-23.2 HG3 LYS 26 - HA SER 9 far 0 88 0 - 8.0-34.7 QB ALA 15 - HA SER 107 far 0 97 0 - 8.1-39.3 QB ALA 28 - HA SER 9 far 0 90 0 - 8.4-29.0 QB ALA 16 - HA SER 9 far 0 89 0 - 8.4-18.3 HG2 LYS 24 - HA SER 107 far 0 93 0 - 8.5-35.6 QB ALA 28 - HA SER 33 far 0 84 0 - 8.6-11.6 HB2 LEU 42 - HA SER 33 far 0 77 0 - 9.4-14.0 QB ALA 16 - HA SER 33 far 0 83 0 - 9.4-24.8 QB ALA 15 - HA SER 9 far 0 89 0 - 9.5-17.0 QB ALA 16 - HA SER 107 far 0 97 0 - 9.5-36.0 HG3 LYS 95 - HA SER 107 far 0 99 0 - 9.7-19.9 HB2 LEU 96 - HA SER 107 far 0 95 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 10113 from cnoeabs.peaks (0.98, 4.39, 58.42 ppm; 5.06 A): 1 out of 12 assignments used, quality = 0.78: QG2 VAL 105 + HA SER 107 OK 78 81 100 97 4.4-6.4 ~11448=45, ~10110=43...(12) QG2 VAL 118 - HA SER 107 poor 16 65 25 - 3.4-11.1 QG1 VAL 105 - HA SER 107 poor 15 76 20 - 6.4-7.7 QD1 LEU 69 - HA SER 33 far 0 55 0 - 7.6-11.7 QG1 VAL 126 - HA SER 107 far 0 68 0 - 7.6-13.5 QD2 LEU 53 - HA SER 107 far 0 90 0 - 7.9-18.1 QG2 VAL 126 - HA SER 107 far 0 85 0 - 8.1-14.6 QG1 VAL 105 - HA SER 9 far 0 68 0 - 8.2-47.6 QG1 VAL 112 - HA SER 107 far 0 92 0 - 8.3-13.9 QG2 VAL 126 - HA SER 33 far 0 70 0 - 8.9-15.0 QG2 VAL 105 - HA SER 9 far 0 72 0 - 9.0-46.9 QD1 LEU 69 - HA SER 107 far 0 68 0 - 9.1-14.9 Violated in 8 structures by 0.41 A. Peak 10115 from cnoeabs.peaks (0.77, 4.39, 58.42 ppm; 5.27 A): 4 out of 19 assignments used, quality = 0.99: QD1 ILE 32 + HA SER 33 OK 88 88 100 100 4.7-6.2 930/10828=84...(28) QD1 ILE 37 + HA SER 33 OK 68 86 85 93 3.9-8.0 10786/3.0=74...(8) QD1 LEU 103 + HA SER 107 OK 56 97 65 89 4.1-9.3 10106/3.0=39...(19) QG1 VAL 63 + HA SER 107 OK 49 96 70 74 1.8-8.2 11486/7555=36...(9) QD1 LEU 96 - HA SER 107 far 15 100 15 - 6.2-14.3 QD2 LEU 122 - HA SER 107 far 14 90 15 - 6.3-11.1 QD2 LEU 96 - HA SER 107 far 4 78 5 - 6.7-13.5 QD1 ILE 32 - HA SER 107 lone 1 99 45 2 5.5-17.6 QG1 VAL 93 - HA SER 33 far 0 66 0 - 7.3-15.5 QD1 LEU 96 - HA SER 33 far 0 89 0 - 7.4-14.6 QG1 VAL 93 - HA SER 9 far 0 72 0 - 8.0-39.7 QG1 VAL 93 - HA SER 107 far 0 81 0 - 8.1-15.8 QG1 VAL 63 - HA SER 33 far 0 82 0 - 8.2-16.0 QD1 ILE 37 - HA SER 9 far 0 92 0 - 8.3-35.9 QD2 LEU 49 - HA SER 107 far 0 68 0 - 8.4-13.3 QD2 LEU 96 - HA SER 33 far 0 64 0 - 8.4-16.0 QD1 LEU 53 - HA SER 107 far 0 76 0 - 8.9-17.8 QD2 LEU 49 - HA SER 33 far 0 55 0 - 9.1-14.1 QD1 ILE 37 - HA SER 107 far 0 99 0 - 9.7-19.5 Violated in 0 structures by 0.00 A. Peak 10117 from cnoeabs.peaks (3.94, 1.38, 19.17 ppm; 3.36 A): 9 out of 75 assignments used, quality = 1.00: HA3 GLY 111 + QB ALA 110 OK 89 100 100 89 3.6-4.2 4.8=33, 3.0/7578=30...(20) HA2 GLY 111 + QB ALA 110 OK 85 93 100 91 3.6-4.7 4.8=33, 3.0/7578=30...(21) HB3 SER 107 + QB ALA 108 OK 46 92 60 83 3.2-5.5 4.7/7559=31, ~7556=25...(10) HB2 SER 107 + QB ALA 108 OK 46 76 75 80 3.3-5.5 4.7/7559=31...(10) HA2 GLY 14 + QB ALA 15 OK 40 65 75 83 3.9-5.0 4.9=32, 6117/2.9=19...(11) HA3 GLY 14 + QB ALA 15 OK 36 67 65 83 3.9-5.0 4.9=32, 6117/2.9=19...(11) HA2 GLY 111 + QB ALA 109 OK 34 78 65 68 3.6-6.8 3.0/7578=15...(18) HB2 SER 106 + QB ALA 108 OK 22 81 35 77 4.0-7.7 3.0/11532=25...(12) HA3 GLY 111 + QB ALA 109 OK 21 88 35 68 4.7-6.6 3.0/7578=15...(19) HD3 PRO 117 - QB ALA 108 poor 20 99 20 - 3.9-15.1 HB2 SER 107 - QB ALA 28 poor 18 73 25 - 1.9-21.0 HD3 PRO 117 - QB ALA 109 poor 17 86 20 - 2.5-12.8 HB3 SER 107 - QB ALA 29 far 13 88 15 - 2.2-17.3 HD3 PRO 113 - QB ALA 109 far 13 85 15 - 4.0-10.1 HB3 SER 107 - QB ALA 110 far 9 91 10 - 3.5-11.7 HA3 GLY 17 - QB ALA 15 poor 9 89 35 29 3.5-7.8 3.0/6131=6, 10679=5...(12) HA2 GLY 17 - QB ALA 15 poor 9 89 35 28 4.0-7.3 3.0/6131=6, 1.8/10679=5...(12) HB2 SER 106 - QB ALA 110 far 8 80 10 - 3.1-11.8 HB3 SER 107 - QB ALA 109 far 8 76 10 - 4.1-8.8 HB2 SER 107 - QB ALA 29 far 7 72 10 - 3.2-18.4 HB2 SER 106 - QB ALA 109 far 6 65 10 - 4.4-9.3 HB2 SER 107 - QB ALA 109 far 6 61 10 - 3.8-8.4 HA3 GLY 111 - QB ALA 15 far 5 100 5 - 2.7-43.7 HA3 GLY 111 - QB ALA 108 far 5 100 5 - 4.6-9.5 HD3 PRO 117 - QB ALA 110 far 5 99 5 - 4.1-14.6 HD3 PRO 113 - QB ALA 15 far 5 98 5 - 2.9-41.8 HA2 GLY 111 - QB ALA 15 far 5 92 5 - 2.8-42.7 HB2 SER 106 - QB ALA 28 far 4 78 5 - 4.0-24.5 HB2 SER 107 - QB ALA 110 far 4 75 5 - 2.2-11.1 HA THR 65 - QB ALA 29 lone 0 67 40 2 2.0-11.5 HB3 SER 107 - QB ALA 28 lone 0 89 35 1 2.8-20.1 HA3 GLY 17 - QB ALA 110 far 0 90 0 - 4.9-44.4 HA3 GLY 17 - QB ALA 109 far 0 75 0 - 5.0-41.6 HA THR 65 - QB ALA 28 far 0 68 0 - 5.4-16.7 HB2 SER 106 - QB ALA 29 far 0 76 0 - 5.5-21.8 HA2 GLY 111 - QB ALA 108 far 0 93 0 - 5.7-9.0 HA LEU 100 - QB ALA 108 far 0 90 0 - 5.7-11.1 HA LEU 100 - QB ALA 110 far 0 90 0 - 5.8-15.3 HB2 SER 106 - QB ALA 15 far 0 80 0 - 5.8-42.5 HA2 GLY 17 - QB ALA 110 far 0 90 0 - 5.8-45.7 HA THR 65 - QB ALA 108 far 0 71 0 - 5.9-16.0 HA2 GLY 17 - QB ALA 109 far 0 75 0 - 6.0-43.0 HD3 PRO 113 - QB ALA 110 far 0 98 0 - 6.2-8.3 HB2 SER 51 - QB ALA 15 far 0 100 0 - 6.2-31.4 HB2 SER 107 - QB ALA 15 far 0 75 0 - 6.2-40.0 HB3 SER 94 - QB ALA 28 far 0 63 0 - 6.4-24.0 HA3 GLY 17 - QB ALA 108 far 0 90 0 - 6.7-40.0 HA LEU 100 - QB ALA 109 far 0 75 0 - 6.9-12.3 HA2 GLY 14 - QB ALA 28 far 0 63 0 - 7.0-22.5 HA2 GLY 17 - QB ALA 108 far 0 90 0 - 7.1-41.3 HA3 GLY 17 - QB ALA 28 far 0 88 0 - 7.2-21.0 HB2 SER 51 - QB ALA 28 far 0 99 0 - 7.3-22.9 HA3 GLY 14 - QB ALA 110 far 0 68 0 - 7.4-44.3 HB2 SER 51 - QB ALA 29 far 0 98 0 - 7.5-19.7 HA2 GLY 17 - QB ALA 28 far 0 88 0 - 7.6-20.3 HB3 SER 107 - QB ALA 15 far 0 91 0 - 7.7-38.9 HA2 GLY 14 - QB ALA 110 far 0 65 0 - 7.9-44.9 HA2 GLY 111 - QB ALA 28 far 0 91 0 - 8.0-24.4 HA LEU 100 - QB ALA 29 far 0 86 0 - 8.1-14.4 HA GLN 127 - QB ALA 29 far 0 69 0 - 8.1-18.0 HD3 PRO 113 - QB ALA 108 far 0 99 0 - 8.2-13.6 HA3 GLY 14 - QB ALA 28 far 0 66 0 - 8.3-23.2 HA THR 65 - QB ALA 109 far 0 56 0 - 8.3-18.5 HB3 SER 94 - QB ALA 29 far 0 61 0 - 8.5-19.8 HA2 GLY 14 - QB ALA 29 far 0 61 0 - 8.5-24.5 HA2 GLY 17 - QB ALA 29 far 0 86 0 - 8.5-21.4 HA3 GLY 111 - QB ALA 28 far 0 99 0 - 8.6-24.9 HA LEU 100 - QB ALA 28 far 0 88 0 - 8.6-18.1 HA2 GLY 111 - QB ALA 29 far 0 89 0 - 8.8-21.8 HB3 SER 94 - QB ALA 108 far 0 65 0 - 9.0-21.7 HA3 GLY 17 - QB ALA 29 far 0 86 0 - 9.1-22.2 HA2 GLY 14 - QB ALA 109 far 0 52 0 - 9.4-41.8 HA THR 65 - QB ALA 15 far 0 70 0 - 9.4-27.5 HA3 GLY 14 - QB ALA 109 far 0 54 0 - 9.6-41.2 HA3 GLY 14 - QB ALA 29 far 0 64 0 - 9.7-25.0 Violated in 0 structures by 0.00 A. Peak 10124 from cnoeabs.peaks (3.93, 0.97, 20.69 ppm; 3.78 A): 2 out of 25 assignments used, quality = 1.00: HD3 PRO 113 + QG1 VAL 112 OK 100 100 100 100 2.8-3.4 11556=87, 1.8/10125=87...(40) HA2 GLY 111 + QG1 VAL 112 OK 29 100 30 97 4.8-5.9 10661/2.1=59...(13) HA3 GLY 111 - QG1 VAL 112 poor 19 96 20 - 4.7-6.0 HB2 SER 60 - QG1 VAL 112 far 4 71 5 - 4.4-15.9 HB3 SER 60 - QG1 VAL 112 far 4 71 5 - 5.2-15.5 HD3 PRO 117 - QG1 VAL 112 far 0 85 0 - 5.3-10.2 HA LEU 100 - QG1 VAL 105 far 0 36 0 - 6.1-8.8 HB2 SER 107 - QG1 VAL 112 far 0 97 0 - 6.1-15.5 HB3 SER 107 - QG1 VAL 105 far 0 38 0 - 6.2-8.4 HB2 SER 107 - QG1 VAL 105 far 0 63 0 - 6.6-7.7 HB3 SER 107 - QG1 VAL 112 far 0 65 0 - 6.8-15.1 HA3 GLY 111 - QG1 VAL 105 far 0 62 0 - 6.8-16.0 HA2 GLY 111 - QG1 VAL 105 far 0 69 0 - 6.9-14.9 HA2 GLY 14 - QG1 VAL 112 far 0 92 0 - 6.9-41.4 HA3 GLY 14 - QG1 VAL 112 far 0 93 0 - 7.1-40.7 HA2 GLY 14 - QG1 VAL 105 far 0 58 0 - 7.6-38.7 HA3 GLY 14 - QG1 VAL 105 far 0 59 0 - 7.7-38.0 HA2 GLY 17 - QG1 VAL 105 far 0 36 0 - 7.7-38.7 HA3 GLY 17 - QG1 VAL 112 far 0 63 0 - 8.0-40.8 HA LEU 100 - QG1 VAL 112 far 0 63 0 - 8.0-14.5 HA3 GLY 17 - QG1 VAL 105 far 0 36 0 - 8.1-37.2 HD3 PRO 113 - QG1 VAL 105 far 0 68 0 - 8.2-17.5 HD3 PRO 117 - QG1 VAL 105 far 0 52 0 - 9.0-16.1 HA2 GLY 17 - QG1 VAL 112 far 0 63 0 - 9.1-42.1 HB3 SER 60 - QG1 VAL 105 far 0 41 0 - 10.0-15.3 Violated in 0 structures by 0.00 A. Peak 10125 from cnoeabs.peaks (3.71, 0.97, 20.69 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 113 + QG1 VAL 112 OK 100 100 100 100 1.7-2.1 11557=97, 1.8/10124=78...(41) HD2 PRO 113 - QG1 VAL 105 far 0 68 0 - 9.5-17.7 Violated in 0 structures by 0.00 A. Peak 10126 from cnoeabs.peaks (3.94, 0.92, 20.16 ppm; 3.69 A): 3 out of 12 assignments used, quality = 1.00: HD3 PRO 113 + QG2 VAL 112 OK 100 100 100 100 3.0-4.6 10124/2.1=78...(44) HA2 GLY 111 + QG2 VAL 112 OK 87 99 90 98 3.1-5.3 3.6/3556=60, 10661=60...(16) HA3 GLY 111 + QG2 VAL 112 OK 83 99 85 99 3.2-5.5 1.8/10661=67...(19) HA2 GLY 14 - QG2 VAL 112 far 4 81 5 - 5.1-42.9 HA3 GLY 14 - QG2 VAL 112 far 0 83 0 - 5.3-42.2 HA3 GLY 17 - QG2 VAL 112 far 0 78 0 - 6.2-42.1 HB2 SER 107 - QG2 VAL 112 far 0 89 0 - 6.6-16.3 HD3 PRO 117 - QG2 VAL 112 far 0 95 0 - 6.7-11.0 HA2 GLY 17 - QG2 VAL 112 far 0 78 0 - 6.8-43.5 HB2 SER 106 - QG2 VAL 112 far 0 65 0 - 6.9-14.3 HB3 SER 107 - QG2 VAL 112 far 0 81 0 - 7.6-16.2 HA LEU 100 - QG2 VAL 112 far 0 78 0 - 8.8-16.3 Violated in 0 structures by 0.00 A. Peak 10128 from cnoeabs.peaks (4.28, 2.12, 32.23 ppm; 4.95 A): 3 out of 7 assignments used, quality = 0.88: HB THR 115 + HB VAL 112 OK 75 99 75 100 2.9-7.0 2.1/11497=95...(16) HA ALA 109 + HB VAL 112 OK 35 100 35 100 4.6-11.5 ~10135=70, ~10135=68...(13) HA ALA 110 + HB VAL 112 OK 27 100 30 92 5.4-8.4 ~11496=30, ~11548=30...(12) HA ALA 16 - HB VAL 112 far 10 100 10 - 5.0-50.4 HA ALA 15 - HB VAL 112 far 5 100 5 - 4.8-53.3 HA ALA 108 - HB VAL 112 far 0 100 0 - 7.4-14.8 HA GLN 61 - HB VAL 112 far 0 100 0 - 9.0-21.1 Violated in 8 structures by 0.27 A. Peak 10129 from cnoeabs.peaks (3.93, 2.12, 32.23 ppm; 3.69 A): 3 out of 10 assignments used, quality = 1.00: HD3 PRO 113 + HB VAL 112 OK 99 99 100 100 4.2-5.0 1.8/11570=79...(42) HA2 GLY 111 + HB VAL 112 OK 72 100 75 96 3.8-5.7 10661/2.1=59...(14) HA3 GLY 111 + HB VAL 112 OK 26 92 30 94 3.9-6.2 3.6/7587=56, ~10661=42...(15) HB2 SER 60 - HB VAL 112 far 4 78 5 - 4.8-20.4 HB3 SER 60 - HB VAL 112 far 4 78 5 - 4.9-20.0 HD3 PRO 117 - HB VAL 112 far 0 78 0 - 6.2-11.1 HB2 SER 107 - HB VAL 112 far 0 99 0 - 7.3-17.5 HB3 SER 107 - HB VAL 112 far 0 57 0 - 8.2-17.5 HA2 GLY 14 - HB VAL 112 far 0 96 0 - 8.5-49.9 HA3 GLY 14 - HB VAL 112 far 0 97 0 - 8.7-49.1 Violated in 18 structures by 0.41 A. Peak 10130 from cnoeabs.peaks (3.70, 2.12, 32.23 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 113 + HB VAL 112 OK 100 100 100 100 3.0-4.2 11570=100, 10125/2.1=74...(43) Violated in 17 structures by 0.35 A. Peak 10131 from cnoeabs.peaks (3.70, 0.92, 20.16 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 113 + QG2 VAL 112 OK 100 100 100 100 1.9-3.9 10137=99, 10125/2.1=91...(44) Violated in 0 structures by 0.00 A. Peak 10134 from cnoeabs.peaks (1.40, 2.12, 32.23 ppm; 4.70 A): 2 out of 5 assignments used, quality = 0.94: QB ALA 109 + HB VAL 112 OK 89 99 90 100 3.4-9.8 10135/2.1=91...(14) QB ALA 110 + HB VAL 112 OK 48 95 55 93 3.7-7.4 11548/2.1=39...(12) QB ALA 15 - HB VAL 112 far 14 95 15 - 5.1-44.2 QB ALA 16 - HB VAL 112 far 10 98 10 - 3.7-41.2 QB ALA 108 - HB VAL 112 far 0 97 0 - 7.0-11.8 Violated in 2 structures by 0.11 A. Peak 10135 from cnoeabs.peaks (1.40, 0.97, 20.69 ppm; 3.64 A): 1 out of 21 assignments used, quality = 0.57: QB ALA 109 + QG1 VAL 112 OK 57 92 65 95 3.9-9.5 11548/2.1=46...(16) QB ALA 110 - QG1 VAL 112 poor 16 81 20 - 4.7-6.8 QB ALA 15 - QG1 VAL 112 far 12 81 15 - 4.7-36.8 QB ALA 109 - QG1 VAL 105 poor 12 58 20 - 2.9-10.5 QB ALA 16 - QG1 VAL 112 far 10 100 10 - 4.6-34.2 QB ALA 108 - QG1 VAL 105 far 5 52 10 - 4.7-8.8 QB ALA 29 - QG1 VAL 105 far 4 45 10 - 3.5-17.0 HG3 LYS 26 - QG1 VAL 105 far 2 47 5 - 4.0-23.7 HG2 LYS 26 - QG1 VAL 105 far 2 34 5 - 3.1-24.2 QB ALA 16 - QG1 VAL 105 far 0 69 0 - 5.7-31.5 QB ALA 110 - QG1 VAL 105 far 0 48 0 - 5.9-12.6 QB ALA 15 - QG1 VAL 105 far 0 48 0 - 6.5-33.7 QB ALA 28 - QG1 VAL 105 far 0 50 0 - 6.5-19.0 HB3 LEU 100 - QG1 VAL 105 far 0 43 0 - 6.8-10.6 QB ALA 108 - QG1 VAL 112 far 0 85 0 - 7.2-10.8 HB3 LEU 100 - QG1 VAL 112 far 0 73 0 - 8.7-15.7 HG LEU 96 - QG1 VAL 105 far 0 67 0 - 8.8-14.6 HG2 LYS 24 - QG1 VAL 105 far 0 43 0 - 8.9-31.0 HG3 LYS 31 - QG1 VAL 105 far 0 61 0 - 9.4-23.1 QB ALA 34 - QG1 VAL 105 far 0 58 0 - 9.4-20.7 HG2 LYS 26 - QG1 VAL 112 far 0 60 0 - 9.5-28.9 Violated in 20 structures by 1.57 A. Peak 10137 from cnoeabs.peaks (0.93, 3.70, 50.95 ppm; 3.90 A): 1 out of 6 assignments used, quality = 0.97: QG2 VAL 112 + HD2 PRO 113 OK 97 97 100 100 1.9-3.9 10131=96, 2.1/10125=85...(44) QD1 LEU 119 - HD2 PRO 113 far 10 99 10 - 4.5-10.8 QG1 VAL 57 - HD2 PRO 113 far 0 92 0 - 6.3-15.6 QD1 LEU 62 - HD2 PRO 113 far 0 83 0 - 6.3-11.2 QG2 VAL 63 - HD2 PRO 113 far 0 76 0 - 6.7-12.8 QG1 VAL 105 - HD2 PRO 113 far 0 68 0 - 9.5-17.7 Violated in 1 structures by 0.00 A. Peak 10139 from cnoeabs.peaks (0.93, 3.94, 50.95 ppm; 4.11 A): 2 out of 14 assignments used, quality = 0.99: QG2 VAL 112 + HD3 PRO 113 OK 97 97 100 100 3.0-4.6 2.1/10124=89...(44) QD1 LEU 119 + HD3 PRO 117 OK 48 71 70 97 4.6-6.5 10252/1.8=61...(11) QD1 LEU 119 - HD3 PRO 113 far 15 99 15 - 3.5-10.5 QD1 LEU 62 - HD3 PRO 117 far 5 55 10 - 5.5-14.4 QG1 VAL 57 - HD3 PRO 113 far 5 92 5 - 5.3-15.2 QD1 LEU 62 - HD3 PRO 113 far 4 83 5 - 5.4-10.4 QG2 VAL 63 - HD3 PRO 113 far 4 76 5 - 5.5-12.2 QG2 VAL 112 - HD3 PRO 117 far 0 69 0 - 6.7-11.0 QG2 VAL 63 - HD3 PRO 117 far 0 49 0 - 6.9-14.9 QG1 VAL 105 - HD3 PRO 113 far 0 68 0 - 8.2-17.5 QG1 VAL 105 - HD3 PRO 117 far 0 43 0 - 9.0-16.1 QD2 LEU 48 - HD3 PRO 113 far 0 71 0 - 9.1-20.4 QD1 LEU 123 - HD3 PRO 113 far 0 99 0 - 9.4-17.0 QD1 LEU 123 - HD3 PRO 117 far 0 72 0 - 9.5-12.9 Violated in 4 structures by 0.02 A. Peak 10140 from cnoeabs.peaks (0.95, 1.91, 31.81 ppm; 5.05 A): 3 out of 6 assignments used, quality = 0.97: QG1 VAL 112 + HB2 PRO 113 OK 83 83 100 100 4.1-4.9 10125/3.0=70...(50) QD1 LEU 119 + HB2 PRO 113 OK 72 99 80 91 2.3-9.5 10160/3.9=67...(9) QG2 VAL 112 + HB2 PRO 113 OK 29 73 40 100 5.3-6.8 10137/3.0=77...(50) QD2 LEU 53 - HB2 PRO 113 far 8 85 10 - 4.8-15.7 QG1 VAL 57 - HB2 PRO 113 far 5 100 5 - 5.9-13.2 QD1 LEU 123 - HB2 PRO 113 far 0 83 0 - 7.9-16.0 Violated in 0 structures by 0.00 A. Peak 10141 from cnoeabs.peaks (1.58, 2.06, 27.46 ppm; 5.68 A): 4 out of 18 assignments used, quality = 0.79: HG LEU 123 + HB2 GLN 127 OK 41 64 65 100 5.6-8.8 ~11637=71, ~11638=70...(31) HB2 LEU 103 + HG2 PRO 117 OK 35 90 60 65 4.8-12.2 3370/2.3=22...(10) HG LEU 49 + HB2 GLN 127 OK 30 67 45 100 5.3-8.2 10430/4.5=38, ~11674=36...(25) HB2 LEU 103 + HG3 PRO 117 OK 21 84 40 63 6.0-13.6 3370/2.3=22...(9) HG LEU 103 - HG3 PRO 113 far 8 83 10 - 5.5-15.5 HB2 LEU 103 - HG3 PRO 113 far 5 100 5 - 5.7-16.0 HG LEU 122 - HB2 GLN 127 far 4 35 10 - 6.8-11.1 HG LEU 103 - HG2 PRO 117 far 3 69 5 - 6.6-15.1 HG LEU 103 - HG3 PRO 117 far 0 63 0 - 7.3-16.6 HG LEU 122 - HG2 PRO 117 far 0 51 0 - 7.9-11.6 HG LEU 122 - HG3 PRO 117 far 0 46 0 - 8.7-13.2 HG LEU 123 - HG3 PRO 113 far 0 98 0 - 8.9-18.5 HG2 ARG 23 - HG3 PRO 58 far 0 60 0 - 8.9-29.0 HG LEU 123 - HG3 PRO 58 far 0 56 0 - 9.1-15.3 HG LEU 122 - HG3 PRO 113 far 0 63 0 - 9.4-17.1 HG LEU 123 - HG3 PRO 117 far 0 80 0 - 9.6-14.6 HG13 ILE 37 - HG3 PRO 81 far 0 74 0 - 9.9-19.1 HG LEU 103 - HG3 PRO 58 far 0 43 0 - 9.9-12.0 Violated in 2 structures by 0.04 A. Peak 10142 from cnoeabs.peaks (0.97, 2.06, 27.46 ppm; 4.42 A): 4 out of 20 assignments used, quality = 1.00: QG1 VAL 112 + HG3 PRO 113 OK 100 100 100 100 3.8-4.1 10125/2.3=93...(46) QG2 VAL 126 + HB2 GLN 127 OK 57 67 85 99 3.5-6.1 4.4/7813=55, ~10394=47...(23) QG1 VAL 126 + HB2 GLN 127 OK 53 63 85 99 3.5-6.7 10394/3.0=76...(22) QG1 VAL 57 + HG3 PRO 58 OK 46 46 100 100 3.6-4.6 9309/2.3=72, 9308/2.3=72...(28) QD1 LEU 119 - HG3 PRO 113 far 11 71 15 - 3.8-11.1 QD2 LEU 53 - HB2 GLN 127 far 10 68 15 - 3.2-9.1 QD1 LEU 119 - HG2 PRO 117 far 9 58 15 - 5.2-7.4 QD1 LEU 119 - HG3 PRO 117 far 5 53 10 - 4.8-8.0 QG1 VAL 112 - HG2 PRO 117 far 5 90 5 - 4.1-11.6 QG1 VAL 57 - HG3 PRO 113 far 4 87 5 - 5.6-15.1 QG1 VAL 112 - HG3 PRO 117 far 4 84 5 - 5.6-12.0 QD2 LEU 53 - HG3 PRO 58 far 0 60 0 - 6.0-13.1 QD2 LEU 53 - HG3 PRO 113 far 0 100 0 - 6.2-17.6 QD1 LEU 119 - HG3 PRO 58 far 0 35 0 - 6.7-13.4 QG1 VAL 112 - HG3 PRO 58 far 0 60 0 - 6.9-14.8 QD2 LEU 53 - HG2 PRO 117 far 0 90 0 - 8.1-14.6 QD2 LEU 53 - HG3 PRO 117 far 0 84 0 - 8.8-15.6 QG1 VAL 105 - HG2 PRO 117 far 0 88 0 - 8.8-15.8 QG1 VAL 105 - HG3 PRO 113 far 0 99 0 - 9.3-18.8 QG1 VAL 105 - HG3 PRO 117 far 0 82 0 - 9.3-17.0 Violated in 0 structures by 0.00 A. Peak 10143 from cnoeabs.peaks (0.82, 2.06, 27.46 ppm; 6.80 A): 11 out of 23 assignments used, quality = 1.00: HG13 ILE 80 + HG3 PRO 81 OK 86 86 100 100 3.9-6.9 ~11248=81, ~11178=80...(37) QG1 VAL 133 + HG3 PRO 81 OK 80 80 100 100 3.9-7.4 ~11757=91...(29) QG2 ILE 80 + HG3 PRO 81 OK 79 79 100 100 3.1-5.0 ~2478=86, ~11168=84...(46) QG2 ILE 129 + HB2 GLN 127 OK 61 67 100 92 7.1-7.7 10441/4.7=65, ~2852=32...(10) QG2 ILE 129 + HG3 PRO 81 OK 57 86 90 74 5.9-9.2 10486/9086=45...(13) QD2 LEU 119 + HG2 PRO 117 OK 48 58 85 98 5.0-9.2 ~10252=88, ~10139=31...(13) QD2 LEU 49 + HB2 GLN 127 OK 33 33 100 100 5.3-7.0 ~11674=45, ~10437=44...(23) QD1 LEU 122 + HB2 GLN 127 OK 31 51 90 68 5.9-9.7 3892/4.0=24...(10) QD2 LEU 119 + HG3 PRO 58 OK 27 35 85 90 4.7-14.9 10927/3.8=79, ~10973=17...(9) QD2 LEU 119 + HG3 PRO 117 OK 26 53 50 97 5.5-9.1 ~10252=88, ~10139=31...(11) QD2 LEU 119 + HG3 PRO 113 OK 22 71 35 87 4.3-12.2 11578/11939=36...(8) QD1 LEU 70 - HB2 GLN 127 poor 13 65 20 - 7.0-12.4 QD1 LEU 122 - HG2 PRO 117 poor 11 71 40 40 6.8-10.8 11092/10325=21, 11951=5...(9) QG1 VAL 133 - HB2 GLN 127 poor 8 62 55 24 7.8-8.8 4246/10507=11...(4) QD1 LEU 122 - HG3 PRO 117 poor 7 65 35 33 7.0-10.7 11092/10325=17...(7) QD2 LEU 22 - HG3 PRO 58 far 5 49 10 - 5.6-27.3 QD1 LEU 122 - HG3 PRO 113 far 4 85 5 - 7.2-15.3 QD2 LEU 22 - HG2 PRO 117 far 4 77 5 - 8.3-34.7 QD2 LEU 119 - HB2 GLN 127 far 2 41 5 - 8.2-12.9 QD1 LEU 122 - HG3 PRO 58 far 0 44 0 - 8.6-13.0 QD2 LEU 22 - HG3 PRO 117 far 0 71 0 - 8.8-35.9 QG2 ILE 32 - HG3 PRO 58 far 0 29 0 - 8.8-18.6 QD1 LEU 70 - HG2 PRO 117 far 0 88 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 10144 from cnoeabs.peaks (1.16, 2.06, 27.46 ppm; 6.04 A): 8 out of 20 assignments used, quality = 0.99: QG2 THR 115 + HG3 PRO 113 OK 71 71 100 100 3.2-6.5 2.1/10189=98...(18) HG3 LYS 39 + HG3 PRO 81 OK 49 86 60 95 4.6-12.2 10567/10575=20, ~1166=17...(28) QG2 VAL 132 + HG3 PRO 81 OK 45 63 85 84 4.6-8.9 4.4/10582=25...(18) HB3 LEU 62 + HG3 PRO 58 OK 44 50 100 88 5.1-7.3 3.9/6792=35...(9) HG2 LYS 39 + HG3 PRO 81 OK 33 55 65 92 3.1-12.7 ~1166=17, ~1167=16...(28) QG2 THR 115 + HG2 PRO 117 OK 28 58 65 75 3.1-9.0 11575/2.3=26, ~10175=21...(8) QG2 THR 115 + HG3 PRO 117 OK 27 53 70 73 4.2-9.0 11575/2.3=26, ~10175=21...(7) QG1 VAL 132 + HG3 PRO 81 OK 23 46 65 78 5.3-8.3 4.2/10582=25, ~11945=15...(17) QG2 VAL 77 - HG3 PRO 81 poor 15 61 25 - 7.4-8.4 QG1 VAL 132 - HB2 GLN 127 poor 13 33 40 - 7.1-9.9 QG2 VAL 132 - HB2 GLN 127 poor 10 47 65 32 6.9-8.6 10442/4079=10...(8) HB3 LEU 62 - HG3 PRO 113 far 9 92 10 - 5.8-13.9 QG2 THR 18 - HG3 PRO 58 far 5 53 10 - 3.9-31.0 QG2 THR 25 - HG3 PRO 58 far 3 31 10 - 6.3-24.4 HG12 ILE 32 - HG3 PRO 58 far 0 59 0 - 8.1-23.3 QG2 THR 115 - HG3 PRO 58 far 0 35 0 - 8.1-15.1 QB ALA 41 - HG3 PRO 81 far 0 80 0 - 8.9-14.0 QG2 THR 18 - HG3 PRO 81 far 0 79 0 - 9.4-37.7 HB3 LEU 62 - HG2 PRO 117 far 0 78 0 - 9.6-18.8 HB3 LEU 62 - HG3 PRO 117 far 0 72 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 10147 from cnoeabs.peaks (3.22, 2.06, 27.46 ppm; 6.80 A): 2 out of 8 assignments used, quality = 0.61: HB3 CYS 125 + HB2 GLN 127 OK 49 59 90 91 6.4-8.6 3.9/10360=49, 10384=40...(9) HD3 ARG 135 + HG3 PRO 81 OK 25 73 70 48 5.0-10.0 7986/7977=10...(13) HD2 ARG 84 - HG3 PRO 81 poor 16 63 25 - 6.2-12.2 HD3 ARG 84 - HG3 PRO 81 far 9 63 15 - 6.5-11.9 HB2 HIS 5 - HG3 PRO 81 far 4 76 5 - 7.6-64.4 HB3 HIS 4 - HG3 PRO 81 far 4 76 5 - 8.1-70.0 HB3 PHE 87 - HG3 PRO 81 far 0 73 0 - 9.3-13.0 HB2 PHE 87 - HG3 PRO 81 far 0 79 0 - 9.9-12.9 Violated in 6 structures by 0.15 A. Peak 10150 from cnoeabs.peaks (4.12, 4.37, 63.85 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: HA3 GLY 114 + HA PRO 113 OK 100 100 100 100 4.6-4.7 2.9/7591=94, 11572=76...(11) HA ALA 52 - HA PRO 113 far 0 95 0 - 9.2-17.3 Violated in 20 structures by 0.17 A. Peak 10153 from cnoeabs.peaks (7.92, 3.70, 50.95 ppm; 5.44 A): 2 out of 5 assignments used, quality = 1.00: H VAL 112 + HD2 PRO 113 OK 98 98 100 100 4.3-4.8 4.8=100 H THR 115 + HD2 PRO 113 OK 80 81 100 100 4.1-6.2 7600/7596=63, ~11939=56...(19) HD22 ASN 116 - HD2 PRO 113 far 15 98 15 - 6.7-9.9 H SER 106 - HD2 PRO 113 far 0 65 0 - 8.8-17.5 H GLN 104 - HD2 PRO 113 far 0 60 0 - 9.3-18.9 Violated in 0 structures by 0.00 A. Peak 10154 from cnoeabs.peaks (7.93, 4.37, 63.85 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.99: H VAL 112 + HA PRO 113 OK 97 100 100 97 4.8-5.7 7589/11507=56, ~11566=41...(9) H THR 115 + HA PRO 113 OK 70 71 100 99 3.1-4.4 4.6/7591=71...(18) HD22 ASN 116 - HA PRO 113 poor 17 95 45 39 3.3-8.4 10222/11506=18...(6) H ASP 64 - HA PRO 113 far 0 60 0 - 9.4-15.1 Violated in 0 structures by 0.00 A. Peak 10156 from cnoeabs.peaks (7.93, 3.94, 50.95 ppm; 5.26 A): 3 out of 8 assignments used, quality = 1.00: H VAL 112 + HD3 PRO 113 OK 99 99 100 100 3.8-5.0 4.8=100 H THR 115 + HD3 PRO 113 OK 75 76 100 99 5.0-6.7 ~11939=53, 4.0/11575=35...(19) HD22 ASN 116 + HD3 PRO 117 OK 68 68 100 100 3.3-6.7 10213=66, 4.6/3670=65...(15) H THR 115 - HD3 PRO 117 poor 20 49 40 - 4.1-7.2 HD22 ASN 116 - HD3 PRO 113 far 14 97 15 - 5.8-10.8 H VAL 112 - HD3 PRO 117 poor 14 72 20 - 4.9-13.6 H SER 106 - HD3 PRO 113 far 0 60 0 - 7.1-16.9 H SER 106 - HD3 PRO 117 far 0 37 0 - 8.7-15.2 Violated in 0 structures by 0.00 A. Peak 10157 from cnoeabs.peaks (1.93, 3.88, 45.18 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: HG2 PRO 113 + HA2 GLY 114 OK 99 99 100 100 4.5-5.8 ~7593=90, ~7595=88...(13) HB2 PRO 113 + HA2 GLY 114 OK 90 90 100 100 3.8-4.5 ~7591=97, ~3593=95...(22) HB3 LEU 123 - HA2 GLY 114 far 2 38 5 - 8.1-16.5 HB2 PRO 58 - HA2 GLY 114 lone 2 76 45 5 4.2-14.7 HG LEU 53 - HA2 GLY 114 far 0 97 0 - 8.9-16.2 Violated in 0 structures by 0.00 A. Peak 10158 from cnoeabs.peaks (1.90, 4.12, 45.18 ppm; 5.50 A): 1 out of 2 assignments used, quality = 0.99: HB2 PRO 113 + HA3 GLY 114 OK 99 99 100 100 3.8-4.2 2.3/10150=92, ~7591=78...(20) HB3 LEU 123 - HA3 GLY 114 far 0 74 0 - 9.1-17.1 Violated in 0 structures by 0.00 A. Peak 10162 from cnoeabs.peaks (1.13, 3.88, 45.18 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.99: QG2 THR 115 + HA2 GLY 114 OK 99 99 100 100 3.5-5.0 2.1/10187=91...(15) HB3 LEU 62 - HA2 GLY 114 lone 3 89 25 12 5.3-12.5 1987/10163=3, ~10165=3...(5) Violated in 3 structures by 0.02 A. Peak 10163 from cnoeabs.peaks (0.94, 3.88, 45.18 ppm; 4.72 A): 2 out of 9 assignments used, quality = 0.96: QD1 LEU 119 + HA2 GLY 114 OK 90 100 90 99 1.8-8.0 10160/2.9=80...(15) QG1 VAL 112 + HA2 GLY 114 OK 59 63 100 94 4.0-6.1 10194/10162=39...(11) QG2 VAL 63 - HA2 GLY 114 poor 15 60 25 - 5.5-12.5 QG1 VAL 57 - HA2 GLY 114 far 5 98 5 - 6.2-12.2 QD1 LEU 62 - HA2 GLY 114 lone 4 68 50 12 4.9-10.6 10165/1.8=4, 3787/2253=3...(5) QD2 LEU 53 - HA2 GLY 114 far 3 65 5 - 5.7-14.0 QG2 VAL 112 - HA2 GLY 114 far 0 90 0 - 6.3-8.2 QD1 LEU 123 - HA2 GLY 114 far 0 96 0 - 7.5-15.4 QD1 LEU 49 - HA2 GLY 114 far 0 65 0 - 9.6-16.2 Violated in 2 structures by 0.03 A. Peak 10164 from cnoeabs.peaks (1.12, 4.12, 45.18 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.97: QG2 THR 115 + HA3 GLY 114 OK 97 97 100 100 3.9-5.2 11574=93, 7607/7604=84...(12) HB3 LEU 62 - HA3 GLY 114 far 4 83 5 - 6.3-13.7 Violated in 13 structures by 0.15 A. Peak 10165 from cnoeabs.peaks (0.93, 4.12, 45.18 ppm; 5.39 A): 1 out of 9 assignments used, quality = 0.88: QD1 LEU 119 + HA3 GLY 114 OK 88 93 95 100 2.0-8.8 10160/2.9=93...(11) QD1 LEU 62 - HA3 GLY 114 lone 6 93 50 13 4.2-10.2 11564/10150=4...(5) QG2 VAL 112 - HA3 GLY 114 far 5 100 5 - 6.2-8.2 QG1 VAL 118 - HA3 GLY 114 far 3 63 5 - 6.8-11.4 QG1 VAL 57 - HA3 GLY 114 lone 1 81 30 3 5.9-12.5 QG2 VAL 63 - HA3 GLY 114 far 0 89 0 - 6.9-12.5 QD1 LEU 123 - HA3 GLY 114 far 0 100 0 - 7.8-16.1 QG1 VAL 20 - HA3 GLY 114 far 0 83 0 - 9.3-35.3 QD1 LEU 49 - HA3 GLY 114 far 0 92 0 - 9.6-17.0 Violated in 3 structures by 0.23 A. Peak 10174 from cnoeabs.peaks (2.85, 4.40, 61.68 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASN 116 + HA THR 115 OK 100 100 100 100 4.5-5.9 7615/3638=91...(18) HB3 ASN 59 - HA THR 115 far 6 63 10 - 5.3-14.7 Violated in 19 structures by 0.29 A. Peak 10175 from cnoeabs.peaks (3.89, 4.40, 61.68 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: HA2 GLY 114 + HA THR 115 OK 100 100 100 100 4.3-4.9 5.0=90, 7603/3.0=89...(18) HD2 PRO 117 + HA THR 115 OK 51 65 80 97 3.2-7.1 4.8/3638=63...(11) HB2 SER 60 - HA THR 115 far 0 78 0 - 9.8-20.5 Violated in 0 structures by 0.00 A. Peak 10177 from cnoeabs.peaks (4.97, 4.40, 61.68 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HA THR 115 OK 100 100 100 100 4.4-5.1 2.9/3638=95...(22) Violated in 0 structures by 0.00 A. Peak 10179 from cnoeabs.peaks (4.97, 1.13, 21.32 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + QG2 THR 115 OK 100 100 100 100 3.3-5.3 11587/2.1=79...(19) Violated in 3 structures by 0.02 A. Peak 10181 from cnoeabs.peaks (3.91, 1.13, 21.32 ppm; 4.77 A): 2 out of 5 assignments used, quality = 0.81: HD3 PRO 113 + QG2 THR 115 OK 73 73 100 100 3.6-5.7 4.4/10194=75...(22) HA2 GLY 111 + QG2 THR 115 OK 29 87 35 96 4.0-7.5 10661/11553=76...(6) HB2 SER 60 - QG2 THR 115 far 0 100 0 - 6.4-16.0 HB3 SER 60 - QG2 THR 115 far 0 100 0 - 7.1-16.1 HB2 SER 107 - QG2 THR 115 far 0 98 0 - 7.1-14.6 Violated in 7 structures by 0.12 A. Peak 10184 from cnoeabs.peaks (2.83, 1.13, 21.32 ppm; 6.25 A): 1 out of 1 assignment used, quality = 0.89: HB2 ASN 116 + QG2 THR 115 OK 89 89 100 100 2.8-5.7 3.0/10179=90...(19) Violated in 0 structures by 0.00 A. Peak 10185 from cnoeabs.peaks (2.10, 1.13, 21.32 ppm; 3.80 A): 1 out of 5 assignments used, quality = 0.90: HB VAL 112 + QG2 THR 115 OK 90 90 100 100 2.1-4.2 2.1/10194=91, 11497=85...(19) HB VAL 57 - QG2 THR 115 far 0 96 0 - 7.5-14.0 HG3 PRO 58 - QG2 THR 115 far 0 57 0 - 8.1-15.1 HB2 GLU 102 - QG2 THR 115 far 0 83 0 - 9.3-13.6 HB3 GLN 61 - QG2 THR 115 far 0 100 0 - 9.5-16.1 Violated in 7 structures by 0.06 A. Peak 10186 from cnoeabs.peaks (1.85, 1.13, 21.32 ppm; 5.25 A): 0 out of 1 assignment used, quality = 0.00: HB3 LEU 119 - QG2 THR 115 far 12 81 15 - 5.6-8.9 Violated in 20 structures by 2.13 A. Peak 10189 from cnoeabs.peaks (2.06, 4.27, 69.69 ppm; 5.46 A): 1 out of 5 assignments used, quality = 0.50: HG3 PRO 113 + HB THR 115 OK 50 100 50 100 3.9-9.4 11939/3636=77, ~11558=52...(16) HG2 PRO 117 - HB THR 115 far 5 99 5 - 6.1-10.0 HG3 PRO 117 - HB THR 115 far 5 98 5 - 6.2-10.1 HB VAL 118 - HB THR 115 far 0 100 0 - 8.1-10.5 HB2 LEU 62 - HB THR 115 far 0 100 0 - 9.9-16.5 Violated in 11 structures by 1.62 A. Peak 10191 from cnoeabs.peaks (1.38, 4.27, 69.69 ppm; 3.66 A): 0 out of 5 assignments used, quality = 0.00: QB ALA 109 - HB THR 115 far 14 95 15 - 3.5-12.8 QB ALA 110 - HB THR 115 far 10 99 10 - 4.5-11.4 QB ALA 108 - HB THR 115 far 0 98 0 - 7.4-14.5 QB ALA 16 - HB THR 115 far 0 60 0 - 8.2-40.0 QB ALA 15 - HB THR 115 far 0 99 0 - 9.0-43.9 Violated in 18 structures by 3.13 A. Peak 10192 from cnoeabs.peaks (0.93, 4.27, 69.69 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.85: QG2 VAL 112 + HB THR 115 OK 74 99 75 100 4.4-7.0 11553/2.1=96...(20) QD1 LEU 119 + HB THR 115 OK 42 97 45 96 4.7-7.6 11623/3636=59...(7) QG2 VAL 63 - HB THR 115 far 0 81 0 - 7.8-13.2 QD1 LEU 62 - HB THR 115 far 0 87 0 - 8.5-12.4 Violated in 17 structures by 0.61 A. Peak 10193 from cnoeabs.peaks (0.81, 4.27, 69.69 ppm; 5.96 A): 2 out of 2 assignments used, quality = 0.41: QD2 LEU 119 + HB THR 115 OK 24 98 25 97 3.6-9.3 ~11623=60, 11578/3636=53...(8) QD1 LEU 103 + HB THR 115 OK 23 63 45 82 6.3-9.8 10232/10178=37...(5) Violated in 18 structures by 0.93 A. Peak 10194 from cnoeabs.peaks (0.97, 1.13, 21.32 ppm; 3.01 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 112 + QG2 THR 115 OK 100 100 100 100 1.7-3.5 11499=94, 2.1/11553=58...(23) QD1 LEU 119 - QG2 THR 115 poor 16 71 35 64 2.9-5.6 11623/3637=15...(11) QG1 VAL 57 - QG2 THR 115 far 0 87 0 - 7.4-12.9 QD2 LEU 53 - QG2 THR 115 far 0 100 0 - 7.4-13.2 QG1 VAL 105 - QG2 THR 115 far 0 99 0 - 7.5-13.2 Violated in 1 structures by 0.03 A. Peak 10195 from cnoeabs.peaks (0.76, 1.13, 21.32 ppm; 5.01 A): 2 out of 4 assignments used, quality = 0.53: QD1 LEU 103 + QG2 THR 115 OK 36 85 75 56 3.7-7.1 2.1/11721=34...(8) QD2 LEU 103 + QG2 THR 115 OK 27 78 55 62 3.8-8.4 11721=24, ~10193=22...(8) QG1 VAL 63 - QG2 THR 115 far 0 83 0 - 6.7-12.1 QD2 LEU 122 - QG2 THR 115 far 0 73 0 - 7.4-12.6 Violated in 9 structures by 0.47 A. Peak 10196 from cnoeabs.peaks (1.37, 1.13, 21.32 ppm; 3.50 A): 1 out of 7 assignments used, quality = 0.23: QB ALA 109 + QG2 THR 115 OK 23 89 35 75 1.9-9.1 11548/11553=28...(10) QB ALA 110 - QG2 THR 115 far 14 97 15 - 2.5-8.1 QB ALA 108 - QG2 THR 115 far 5 95 5 - 4.5-10.4 QB ALA 15 - QG2 THR 115 far 0 97 0 - 6.3-36.4 QB ALA 12 - QG2 THR 115 far 0 96 0 - 8.7-37.0 HG3 LYS 26 - QG2 THR 115 far 0 97 0 - 8.8-27.1 HB3 LEU 100 - QG2 THR 115 far 0 99 0 - 9.8-13.5 Violated in 18 structures by 1.99 A. Peak 10200 from cnoeabs.peaks (2.04, 4.97, 51.55 ppm; 4.34 A): 3 out of 6 assignments used, quality = 1.00: HG3 PRO 117 + HA ASN 116 OK 97 97 100 100 4.1-4.6 2.3/3667=89, 2.3/3670=88...(27) HG2 PRO 117 + HA ASN 116 OK 93 93 100 100 4.1-4.6 2.3/3667=89, 2.3/3670=88...(29) HB VAL 118 + HA ASN 116 OK 83 89 95 98 4.3-5.9 2.1/10276=58...(17) HB2 LEU 62 - HA ASN 116 far 0 89 0 - 6.7-17.3 HG3 PRO 113 - HA ASN 116 far 0 81 0 - 8.5-11.6 HB VAL 63 - HA ASN 116 far 0 87 0 - 9.6-18.7 Violated in 0 structures by 0.00 A. Peak 10206 from cnoeabs.peaks (3.86, 2.85, 38.95 ppm; 6.44 A): 2 out of 3 assignments used, quality = 1.00: HD2 PRO 117 + HB2 ASN 116 OK 100 100 100 100 3.3-5.2 4.8=100 HA2 GLY 114 + HB2 ASN 116 OK 82 83 100 100 4.2-7.2 3.6/10173=87...(8) HA LEU 62 - HB2 ASN 116 far 0 89 0 - 8.3-16.9 Violated in 0 structures by 0.00 A. Peak 10207 from cnoeabs.peaks (3.95, 2.85, 38.95 ppm; 5.38 A): 1 out of 9 assignments used, quality = 1.00: HD3 PRO 117 + HB2 ASN 116 OK 100 100 100 100 3.7-4.9 4.8=100 HB3 SER 107 - HB2 ASN 116 far 15 99 15 - 4.5-15.6 HA3 GLY 111 - HB2 ASN 116 far 15 99 15 - 4.7-12.1 HD3 PRO 113 - HB2 ASN 116 poor 14 90 25 61 5.5-11.0 11575/10184=29...(6) HA LEU 100 - HB2 ASN 116 far 10 99 10 - 6.7-10.8 HA2 GLY 111 - HB2 ASN 116 far 8 78 10 - 3.7-11.7 HB3 SER 106 - HB2 ASN 116 far 0 71 0 - 7.3-15.0 HB2 SER 106 - HB2 ASN 116 far 0 95 0 - 7.5-14.9 HA3 GLY 17 - HB2 ASN 116 far 0 99 0 - 8.7-43.4 Violated in 0 structures by 0.00 A. Peak 10208 from cnoeabs.peaks (3.98, 2.93, 38.95 ppm; 5.87 A): 1 out of 7 assignments used, quality = 0.73: HD3 PRO 117 + HB3 ASN 116 OK 73 73 100 100 2.6-4.7 4.8=100 HA LEU 100 - HB3 ASN 116 poor 19 92 45 45 5.7-11.3 10210/3.5=20...(5) HB3 SER 107 - HB3 ASN 116 far 14 90 15 - 4.0-14.9 HB3 SER 99 - HB3 ASN 116 poor 12 60 20 - 6.1-10.2 HB3 SER 106 - HB3 ASN 116 far 5 100 5 - 6.8-15.0 HB2 SER 106 - HB3 ASN 116 far 0 97 0 - 7.4-14.9 HA3 GLY 17 - HB3 ASN 116 far 0 92 0 - 9.9-44.1 Violated in 0 structures by 0.00 A. Peak 10225 from cnoeabs.peaks (1.61, 2.85, 38.95 ppm; 5.41 A): 1 out of 3 assignments used, quality = 0.94: HG LEU 119 + HB2 ASN 116 OK 94 99 95 100 3.3-7.5 11584/1.8=89...(31) HG LEU 122 - HB2 ASN 116 far 0 97 0 - 7.8-10.8 HB2 LEU 122 - HB2 ASN 116 far 0 99 0 - 7.9-10.8 Violated in 4 structures by 0.17 A. Peak 10227 from cnoeabs.peaks (0.95, 2.85, 38.95 ppm; 4.96 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 119 + HB2 ASN 116 OK 99 99 100 100 2.0-4.8 10295/1.8=97, 10294=84...(33) QG1 VAL 112 + HB2 ASN 116 OK 61 83 80 93 2.9-7.8 10194/10184=43...(10) QG2 VAL 112 + HB2 ASN 116 OK 29 73 55 72 4.9-9.9 11553/10184=31...(8) QD2 LEU 53 - HB2 ASN 116 far 4 85 5 - 6.2-13.2 QG1 VAL 57 - HB2 ASN 116 far 0 100 0 - 7.2-16.9 QD1 LEU 123 - HB2 ASN 116 far 0 83 0 - 8.0-12.1 QG1 VAL 105 - HB2 ASN 116 far 0 96 0 - 8.5-13.1 QG2 VAL 126 - HB2 ASN 116 far 0 90 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 10228 from cnoeabs.peaks (0.95, 2.93, 38.95 ppm; 5.53 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 119 + HB3 ASN 116 OK 99 99 100 100 1.7-5.4 10294/1.8=99, 10295=99...(28) QG1 VAL 112 + HB3 ASN 116 OK 53 83 80 80 2.8-8.8 10230/7616=39...(7) QG2 VAL 112 + HB3 ASN 116 OK 22 73 45 67 4.5-10.3 ~10227=25, ~10227=23...(6) QD2 LEU 53 - HB3 ASN 116 poor 17 85 20 - 5.7-14.1 QG1 VAL 57 - HB3 ASN 116 far 0 100 0 - 7.2-17.9 QG1 VAL 105 - HB3 ASN 116 far 0 96 0 - 7.8-13.6 QD1 LEU 123 - HB3 ASN 116 far 0 83 0 - 8.3-12.1 QG1 VAL 126 - HB3 ASN 116 far 0 98 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 10232 from cnoeabs.peaks (0.80, 4.97, 51.55 ppm; 4.95 A): 2 out of 6 assignments used, quality = 0.91: QD1 LEU 103 + HA ASN 116 OK 84 90 95 98 3.5-10.1 ~11831=42, 11425/4.6=36...(15) QD2 LEU 119 + HA ASN 116 OK 45 100 45 100 3.3-7.2 10292/3.0=75...(37) QD1 LEU 53 - HA ASN 116 far 0 100 0 - 7.0-13.8 QD2 LEU 122 - HA ASN 116 far 0 97 0 - 7.2-11.6 QD1 LEU 122 - HA ASN 116 far 0 98 0 - 7.2-10.3 QG1 VAL 63 - HA ASN 116 far 0 92 0 - 8.5-15.5 Violated in 3 structures by 0.07 A. Peak 10234 from cnoeabs.peaks (8.45, 3.86, 51.04 ppm; 5.50 A): 1 out of 4 assignments used, quality = 1.00: H ASN 116 + HD2 PRO 117 OK 100 100 100 100 3.4-5.0 4.8=100 H VAL 132 - HD2 PRO 81 far 3 56 5 - 6.9-9.0 H VAL 93 - HD2 PRO 81 far 0 83 0 - 9.9-12.1 H ALA 12 - HD2 PRO 81 far 0 90 0 - 9.9-47.6 Violated in 0 structures by 0.00 A. Peak 10235 from cnoeabs.peaks (8.44, 3.95, 51.04 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: H ASN 116 + HD3 PRO 117 OK 100 100 100 100 3.8-5.0 4.8=100 H ASN 116 - HD3 PRO 113 poor 18 74 25 - 6.1-8.4 Violated in 0 structures by 0.00 A. Peak 10236 from cnoeabs.peaks (7.57, 4.37, 64.81 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.61: H LEU 119 + HA PRO 117 OK 61 63 100 97 3.7-4.7 3.8/11562=61...(11) H THR 54 - HA PRO 117 far 0 81 0 - 9.9-17.2 Violated in 1 structures by 0.01 A. Peak 10237 from cnoeabs.peaks (8.10, 4.37, 64.81 ppm; 4.24 A): 2 out of 5 assignments used, quality = 0.94: H ASN 120 + HA PRO 117 OK 80 81 100 99 3.6-4.1 11562=71, 3.8/10236=47...(12) H ASN 121 + HA PRO 117 OK 71 76 100 94 4.0-5.4 4.1/11562=48...(14) H ALA 109 - HA PRO 117 far 0 92 0 - 7.3-17.1 H ALA 108 - HA PRO 117 far 0 89 0 - 8.7-17.4 H LEU 103 - HA PRO 117 far 0 90 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 10238 from cnoeabs.peaks (2.83, 3.86, 51.04 ppm; 5.97 A): 2 out of 2 assignments used, quality = 0.98: HB2 ASN 116 + HD2 PRO 117 OK 89 89 100 100 3.3-5.2 4.8=100 HB3 ASN 85 + HD2 PRO 81 OK 85 85 100 99 2.7-5.8 11236/4.0=94, ~9789=39...(11) Violated in 0 structures by 0.00 A. Peak 10239 from cnoeabs.peaks (2.93, 3.86, 51.04 ppm; 6.08 A): 3 out of 6 assignments used, quality = 1.00: HB3 ASN 116 + HD2 PRO 117 OK 100 100 100 100 1.9-5.0 4.8=100 HE3 LYS 39 + HD2 PRO 81 OK 41 90 50 92 4.1-10.1 10571/11757=36, ~1166=16...(22) HE2 LYS 39 + HD2 PRO 81 OK 29 90 35 93 4.9-11.1 10571/11757=34, ~1166=16...(22) HD2 ARG 135 - HD2 PRO 81 poor 17 86 20 - 6.0-10.6 HE3 LYS 86 - HD2 PRO 81 lone 1 46 45 5 5.0-9.3 558/4.8=3 HE2 LYS 24 - HD2 PRO 117 far 0 68 0 - 7.6-38.7 Violated in 0 structures by 0.00 A. Peak 10240 from cnoeabs.peaks (2.83, 3.95, 51.04 ppm; 5.34 A): 1 out of 5 assignments used, quality = 0.73: HB2 ASN 116 + HD3 PRO 117 OK 73 73 100 100 3.7-4.9 4.8=100 HB2 ASN 116 - HD3 PRO 113 poor 12 47 25 - 5.5-11.0 HB2 ASN 121 - HD3 PRO 117 far 10 68 15 - 6.1-9.1 HB3 ASN 120 - HD3 PRO 117 far 0 73 0 - 7.2-9.8 HB2 ASN 120 - HD3 PRO 117 far 0 73 0 - 7.5-10.2 Violated in 0 structures by 0.00 A. Peak 10241 from cnoeabs.peaks (2.92, 3.95, 51.04 ppm; 6.16 A): 1 out of 2 assignments used, quality = 0.85: HB3 ASN 116 + HD3 PRO 117 OK 85 85 100 100 2.6-4.7 4.8=100 HB3 ASN 116 - HD3 PRO 113 poor 17 56 30 - 5.9-11.5 Violated in 0 structures by 0.00 A. Peak 10242 from cnoeabs.peaks (2.80, 2.36, 32.10 ppm; 4.55 A): 3 out of 3 assignments used, quality = 0.84: HB2 ASN 120 + HB2 PRO 117 OK 65 100 65 100 5.1-7.9 10301=99, 11561/2.3=59...(15) HB2 ASN 121 + HB2 PRO 117 OK 36 100 40 90 4.8-8.2 11589/1.8=29, 10301=25...(19) HB3 ASN 120 + HB2 PRO 117 OK 30 100 30 100 5.2-7.4 1.8/10301=82, ~11561=42...(16) Violated in 19 structures by 0.51 A. Peak 10243 from cnoeabs.peaks (2.83, 2.01, 32.10 ppm; 5.52 A): 4 out of 6 assignments used, quality = 0.95: HB3 ASN 120 + HB3 PRO 117 OK 65 68 95 100 4.8-7.7 ~10301=82, ~11734=56...(16) HB2 ASN 121 + HB3 PRO 117 OK 59 63 95 99 3.2-7.4 3.8/10316=57...(23) HB2 ASN 120 + HB3 PRO 117 OK 54 68 80 100 4.3-7.5 ~11734=56, 10301/1.8=55...(14) HB3 ASP 64 + HB VAL 63 OK 25 25 100 100 4.1-6.0 3.9/6824=75, ~10980=65...(16) HB2 ASN 116 - HB3 PRO 117 far 12 78 15 - 6.6-7.7 HB2 ASN 116 - HB VAL 63 far 0 28 0 - 7.0-16.2 Violated in 0 structures by 0.00 A. Peak 10247 from cnoeabs.peaks (4.98, 4.37, 64.81 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.96: HA ASN 116 + HA PRO 117 OK 96 96 100 100 4.4-4.6 4.8=100 Violated in 0 structures by 0.00 A. Peak 10248 from cnoeabs.peaks (4.94, 2.36, 32.10 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.68: HA ASN 116 + HB2 PRO 117 OK 68 68 100 100 4.8-5.5 3667/3.0=68, 3669/3.0=68...(23) Violated in 0 structures by 0.00 A. Peak 10249 from cnoeabs.peaks (4.96, 2.01, 32.10 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 116 + HB3 PRO 117 OK 100 100 100 100 4.8-5.7 3667/3.0=94, 3670/3.0=94...(24) HA ASN 116 - HB VAL 63 far 0 43 0 - 9.6-18.7 Violated in 19 structures by 0.28 A. Peak 10257 from cnoeabs.peaks (4.96, 2.05, 27.30 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: HA ASN 116 + HG2 PRO 117 OK 100 100 100 100 4.1-4.6 3667/2.3=80, 3670/2.3=79...(29) HA ASN 116 + HG3 PRO 117 OK 100 100 100 100 4.1-4.6 3667/2.3=80, 3670/2.3=79...(27) HA ASN 116 - HG3 PRO 113 far 0 90 0 - 8.5-11.6 Violated in 1 structures by 0.01 A. Peak 10258 from cnoeabs.peaks (1.62, 2.06, 31.53 ppm; 4.91 A): 4 out of 5 assignments used, quality = 1.00: HG LEU 119 + HB VAL 118 OK 99 100 100 99 3.6-5.5 3781/3741=67...(22) HB2 LEU 122 + HB VAL 118 OK 92 97 95 100 3.8-6.7 390/2.1=42, ~7718=30...(38) HG LEU 122 + HB VAL 118 OK 83 93 90 99 3.9-7.6 11104/3.0=36, ~11612=26...(32) HG LEU 62 + HB VAL 118 OK 24 60 55 72 4.3-12.4 2.1/2007=34, 1991=12...(15) HG LEU 70 - HB VAL 118 far 0 99 0 - 9.6-12.2 Violated in 1 structures by 0.00 A. Peak 10259 from cnoeabs.peaks (1.38, 2.06, 31.53 ppm; 4.76 A): 1 out of 9 assignments used, quality = 0.95: HB3 LEU 100 + HB VAL 118 OK 95 100 95 100 4.7-9.2 10262/2.1=91...(19) QB ALA 108 - HB VAL 118 poor 20 98 20 - 3.0-12.4 QB ALA 110 - HB VAL 118 far 10 99 10 - 4.8-14.0 QB ALA 109 - HB VAL 118 far 9 95 10 - 4.5-11.9 HG2 LYS 24 - HB VAL 118 far 5 100 5 - 4.7-32.5 HG2 LYS 95 - HB VAL 118 far 0 96 0 - 7.1-13.7 HG3 LYS 95 - HB VAL 118 far 0 97 0 - 7.2-13.6 HB2 LEU 96 - HB VAL 118 far 0 100 0 - 8.0-11.6 HG LEU 96 - HB VAL 118 far 0 78 0 - 9.6-12.3 Violated in 19 structures by 0.80 A. Peak 10260 from cnoeabs.peaks (1.82, 0.90, 21.66 ppm; 4.57 A): 4 out of 8 assignments used, quality = 1.00: HB2 LEU 100 + QG1 VAL 118 OK 95 100 95 100 3.1-6.2 1.8/10262=96, ~10264=64...(25) HB3 LEU 122 + QG1 VAL 118 OK 73 73 100 99 1.8-4.7 1.8/390=42...(33) HB3 LEU 103 + QG1 VAL 118 OK 67 71 95 100 1.9-6.5 1.8/10261=51, ~10069=48...(35) HB3 LEU 123 + QG1 VAL 118 OK 44 76 80 73 4.5-7.9 10323/10324=39...(9) HB3 LYS 24 - QG1 VAL 118 far 5 100 5 - 5.5-24.0 HB3 LYS 26 - QG1 VAL 118 far 0 100 0 - 7.9-20.4 HB3 ARG 23 - QG1 VAL 118 far 0 100 0 - 8.1-26.4 HB VAL 93 - QG1 VAL 118 far 0 97 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 10261 from cnoeabs.peaks (1.57, 0.90, 21.66 ppm; 3.62 A): 2 out of 7 assignments used, quality = 0.99: HB2 LEU 103 + QG1 VAL 118 OK 94 99 95 99 2.2-5.6 3.0/11709=30, ~10069=28...(30) HG LEU 103 + QG1 VAL 118 OK 82 92 90 99 3.3-8.1 ~10069=40, ~10069=38...(25) HB2 LEU 119 - QG1 VAL 118 poor 14 68 30 70 4.7-6.0 2.9/11598=19, ~11624=15...(16) HG LEU 123 - QG1 VAL 118 poor 10 100 25 42 4.2-8.7 3.0/3924=11, 4.6/7752=9...(9) HG LEU 49 - QG1 VAL 118 far 0 100 0 - 8.1-12.4 HG2 ARG 23 - QG1 VAL 118 far 0 100 0 - 8.6-27.9 HB2 LEU 22 - QG1 VAL 118 far 0 65 0 - 9.4-28.0 Violated in 1 structures by 0.10 A. Peak 10262 from cnoeabs.peaks (1.38, 0.90, 21.66 ppm; 3.90 A): 1 out of 13 assignments used, quality = 0.94: HB3 LEU 100 + QG1 VAL 118 OK 94 100 95 99 2.3-6.2 10264/2.1=73...(23) QB ALA 108 - QG1 VAL 118 poor 20 99 20 - 2.6-10.7 QB ALA 110 - QG1 VAL 118 far 10 100 10 - 4.6-13.0 HG2 LYS 24 - QG1 VAL 118 far 5 100 5 - 3.9-25.9 HB2 LEU 96 - QG1 VAL 118 far 5 100 5 - 4.7-7.7 HG3 LYS 95 - QG1 VAL 118 far 5 99 5 - 4.6-10.3 HG2 LYS 95 - QG1 VAL 118 far 5 98 5 - 4.7-10.4 QB ALA 109 - QG1 VAL 118 far 5 97 5 - 4.9-10.3 HG LEU 96 - QG1 VAL 118 far 0 85 0 - 6.1-8.2 QB ALA 29 - QG1 VAL 118 far 0 100 0 - 7.7-13.2 QB ALA 28 - QG1 VAL 118 far 0 100 0 - 8.7-14.8 HG3 LYS 26 - QG1 VAL 118 far 0 100 0 - 9.1-20.0 QB ALA 15 - QG1 VAL 118 far 0 100 0 - 9.9-29.9 Violated in 1 structures by 0.11 A. Peak 10263 from cnoeabs.peaks (1.58, 1.01, 22.19 ppm; 3.75 A): 4 out of 7 assignments used, quality = 1.00: HB2 LEU 103 + QG2 VAL 118 OK 94 99 95 100 1.7-8.0 10261/2.1=38...(43) HG LEU 103 + QG2 VAL 118 OK 59 65 90 100 3.5-10.5 2.1/10265=46, ~10069=43...(29) HB2 LEU 122 + QG2 VAL 118 OK 58 71 85 96 2.3-5.9 1.8/11916=22...(37) HG LEU 122 + QG2 VAL 118 OK 53 81 70 93 3.4-7.4 2.1/10265=21...(33) HG LEU 123 - QG2 VAL 118 far 0 90 0 - 6.6-10.7 HG LEU 70 - QG2 VAL 118 far 0 63 0 - 7.3-10.3 HG2 ARG 23 - QG2 VAL 118 far 0 99 0 - 8.3-30.1 Violated in 1 structures by 0.09 A. Peak 10264 from cnoeabs.peaks (1.38, 1.01, 22.19 ppm; 3.76 A): 1 out of 12 assignments used, quality = 0.93: HB3 LEU 100 + QG2 VAL 118 OK 93 100 95 98 3.7-8.8 10262/2.1=73...(19) QB ALA 109 - QG2 VAL 118 poor 20 99 20 - 4.1-10.6 QB ALA 110 - QG2 VAL 118 far 10 100 10 - 2.7-12.5 HG2 LYS 24 - QG2 VAL 118 far 5 100 5 - 2.2-28.3 HG3 LYS 95 - QG2 VAL 118 far 5 100 5 - 4.4-9.7 HG2 LYS 95 - QG2 VAL 118 far 5 100 5 - 4.3-10.0 QB ALA 108 - QG2 VAL 118 lone 5 100 35 13 2.8-10.4 10112/10272=7...(3) HB2 LEU 96 - QG2 VAL 118 far 0 100 0 - 6.9-9.2 HG LEU 96 - QG2 VAL 118 far 0 92 0 - 7.4-9.6 QB ALA 29 - QG2 VAL 118 far 0 100 0 - 8.6-14.5 HG3 LYS 26 - QG2 VAL 118 far 0 100 0 - 8.8-22.5 QB ALA 28 - QG2 VAL 118 far 0 100 0 - 9.4-16.9 Violated in 19 structures by 0.74 A. Peak 10265 from cnoeabs.peaks (0.78, 1.01, 22.19 ppm; 3.31 A): 3 out of 9 assignments used, quality = 0.98: QD1 LEU 103 + QG2 VAL 118 OK 94 100 95 99 2.2-8.3 10069/2.1=60...(37) QD2 LEU 122 + QG2 VAL 118 OK 47 99 50 94 3.2-7.1 11612/2.1=25...(41) QD1 LEU 122 + QG2 VAL 118 OK 33 65 55 93 3.7-6.7 11612/2.1=21...(40) QD2 LEU 119 - QG2 VAL 118 far 8 81 10 - 4.1-6.3 QD1 LEU 53 - QG2 VAL 118 far 5 93 5 - 4.7-10.5 QG1 VAL 63 - QG2 VAL 118 far 0 100 0 - 5.9-11.3 QD1 LEU 96 - QG2 VAL 118 far 0 99 0 - 6.6-8.5 QD2 LEU 49 - QG2 VAL 118 far 0 89 0 - 7.6-10.9 QD1 ILE 32 - QG2 VAL 118 far 0 100 0 - 8.8-14.2 Violated in 3 structures by 0.16 A. Peak 10266 from cnoeabs.peaks (2.34, 1.01, 22.19 ppm; 3.66 A): 0 out of 5 assignments used, quality = 0.00: HG2 GLU 102 - QG2 VAL 118 far 14 92 15 - 3.8-7.4 HB2 PRO 117 - QG2 VAL 118 far 4 87 5 - 3.8-5.8 HG2 GLN 27 - QG2 VAL 118 far 0 98 0 - 6.3-22.7 HG3 GLN 27 - QG2 VAL 118 far 0 92 0 - 7.1-21.6 HG2 GLN 127 - QG2 VAL 118 far 0 97 0 - 9.3-12.3 Violated in 20 structures by 1.29 A. Peak 10267 from cnoeabs.peaks (2.52, 1.01, 22.19 ppm; 4.13 A): 0 out of 1 assignment used, quality = 0.00: HG3 GLU 102 - QG2 VAL 118 poor 20 99 20 - 2.7-8.6 Violated in 17 structures by 2.28 A. Peak 10268 from cnoeabs.peaks (2.34, 0.90, 21.66 ppm; 4.23 A): 0 out of 7 assignments used, quality = 0.00: HG2 GLU 102 - QG1 VAL 118 far 9 95 10 - 5.5-9.0 HG2 GLN 27 - QG1 VAL 118 far 5 99 5 - 5.3-20.4 HB2 PRO 117 - QG1 VAL 118 far 5 90 5 - 5.4-7.1 HG3 GLN 27 - QG1 VAL 118 far 0 95 0 - 6.4-19.2 HG2 GLN 127 - QG1 VAL 118 far 0 98 0 - 7.1-10.4 HG3 GLN 68 - QG1 VAL 118 far 0 78 0 - 8.9-15.7 HG2 GLU 128 - QG1 VAL 118 far 0 60 0 - 10.0-13.8 Violated in 20 structures by 1.54 A. Peak 10269 from cnoeabs.peaks (2.53, 0.90, 21.66 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.45: HG3 GLN 101 + QG1 VAL 118 OK 45 73 75 82 5.6-7.8 10053/10262=37...(12) HG3 GLU 102 - QG1 VAL 118 far 15 98 15 - 4.4-9.1 Violated in 20 structures by 1.22 A. Peak 10270 from cnoeabs.peaks (3.99, 1.01, 22.19 ppm; 3.60 A): 2 out of 11 assignments used, quality = 0.97: HB3 SER 99 + QG2 VAL 118 OK 91 97 100 94 1.7-4.9 11475/2.1=54...(21) HA LEU 103 + QG2 VAL 118 OK 70 78 95 95 2.6-8.3 3397/10265=28...(20) HA LYS 95 - QG2 VAL 118 far 4 71 5 - 4.6-8.3 HB2 SER 106 - QG2 VAL 118 far 0 63 0 - 6.3-11.8 HB3 SER 106 - QG2 VAL 118 far 0 90 0 - 6.7-12.3 HB3 SER 94 - QG2 VAL 118 far 0 78 0 - 8.1-11.8 HB2 SER 124 - QG2 VAL 118 far 0 100 0 - 8.3-9.5 HA VAL 20 - QG2 VAL 118 far 0 100 0 - 9.4-32.8 HA SER 60 - QG2 VAL 118 far 0 92 0 - 9.5-16.6 HA SER 50 - QG2 VAL 118 far 0 100 0 - 9.7-14.6 HA GLU 91 - QG2 VAL 118 far 0 93 0 - 9.7-14.4 Violated in 1 structures by 0.06 A. Peak 10271 from cnoeabs.peaks (4.23, 1.01, 22.19 ppm; 5.57 A): 1 out of 6 assignments used, quality = 0.96: HA SER 99 + QG2 VAL 118 OK 96 96 100 100 2.3-4.9 11599/2.1=99...(17) HA HIS 67 - QG2 VAL 118 far 0 96 0 - 7.5-12.6 HB THR 25 - QG2 VAL 118 far 0 63 0 - 7.7-25.0 HA SER 94 - QG2 VAL 118 far 0 100 0 - 8.2-11.0 HA SER 124 - QG2 VAL 118 far 0 97 0 - 8.9-10.8 HA GLN 27 - QG2 VAL 118 far 0 93 0 - 9.3-22.2 Violated in 0 structures by 0.00 A. Peak 10272 from cnoeabs.peaks (4.40, 1.01, 22.19 ppm; 5.33 A): 1 out of 5 assignments used, quality = 0.23: HA SER 107 + QG2 VAL 118 OK 23 92 30 85 3.4-11.1 ~11853=59, ~11473=40...(10) HA ASN 120 - QG2 VAL 118 far 0 78 0 - 7.0-7.6 HA VAL 112 - QG2 VAL 118 far 0 85 0 - 7.1-13.0 HA THR 115 - QG2 VAL 118 far 0 100 0 - 7.6-9.1 HA THR 54 - QG2 VAL 118 far 0 81 0 - 9.1-15.1 Violated in 15 structures by 2.94 A. Peak 10276 from cnoeabs.peaks (4.96, 1.01, 22.19 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + QG2 VAL 118 OK 100 100 100 100 4.0-5.5 10251/7642=63...(16) Violated in 4 structures by 0.06 A. Peak 10277 from cnoeabs.peaks (4.97, 2.06, 31.53 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB VAL 118 OK 100 100 100 100 4.3-5.9 10276/2.1=99...(20) Violated in 0 structures by 0.00 A. Peak 10278 from cnoeabs.peaks (7.89, 1.01, 22.19 ppm; 4.12 A): 2 out of 4 assignments used, quality = 0.92: H GLN 104 + QG2 VAL 118 OK 78 100 85 92 3.8-10.5 10070=31, 7485/10279=28...(13) HD22 ASN 116 + QG2 VAL 118 OK 66 78 90 93 4.3-6.2 1.7/11532=40...(14) H SER 106 - QG2 VAL 118 far 0 100 0 - 6.1-10.1 H THR 115 - QG2 VAL 118 far 0 97 0 - 7.0-9.3 Violated in 17 structures by 0.34 A. Peak 10279 from cnoeabs.peaks (8.09, 1.01, 22.19 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.99: H LEU 103 + QG2 VAL 118 OK 93 99 95 100 2.7-8.1 11705/2.1=52...(20) H ASN 120 + QG2 VAL 118 OK 81 95 90 96 5.1-5.8 3.8/3753=52...(12) H ALA 108 - QG2 VAL 118 poor 20 98 20 - 4.3-11.1 H ALA 109 - QG2 VAL 118 lone 1 99 25 4 4.5-11.9 3.7/10264=3 H THR 25 - QG2 VAL 118 far 0 95 0 - 6.7-25.4 Violated in 2 structures by 0.08 A. Peak 10281 from cnoeabs.peaks (7.75, 0.80, 23.00 ppm; 5.48 A): 2 out of 5 assignments used, quality = 1.00: H VAL 118 + QD2 LEU 119 OK 100 100 100 100 2.3-6.4 7643/4.6=76...(19) H GLU 55 + QD2 LEU 119 OK 46 100 70 66 3.1-12.9 9264/11621=32...(6) HD22 ASN 121 - QD2 LEU 119 poor 13 65 20 - 6.2-9.3 HE22 GLN 68 - QD2 LEU 119 far 0 99 0 - 9.2-20.2 H LEU 98 - QD2 LEU 119 far 0 89 0 - 9.4-13.1 Violated in 8 structures by 0.10 A. Peak 10282 from cnoeabs.peaks (7.76, 0.94, 25.07 ppm; 5.15 A): 2 out of 4 assignments used, quality = 1.00: H VAL 118 + QD1 LEU 119 OK 100 100 100 100 2.9-5.8 7643/3797=77...(17) H GLU 55 + QD1 LEU 119 OK 22 100 40 56 3.8-12.4 10281/2.1=22...(11) HD22 ASN 121 - QD1 LEU 119 poor 18 76 30 77 5.9-9.6 ~11554=19, 7660/3804=18...(15) H LEU 98 - QD1 LEU 119 far 0 81 0 - 7.4-13.9 Violated in 0 structures by 0.00 A. Peak 10290 from cnoeabs.peaks (2.82, 1.62, 27.00 ppm; 6.57 A): 7 out of 16 assignments used, quality = 1.00: HB3 ASP 71 + HG LEU 70 OK 91 91 100 100 3.9-7.4 3.0/11117=87, ~9509=66...(9) HB2 ASN 120 + HG LEU 119 OK 87 87 100 100 6.0-7.8 ~10293=51, 10291/2.9=46...(28) HB3 ASN 120 + HG LEU 119 OK 82 87 95 100 5.3-8.1 10293/2.1=57...(28) HB3 ASN 85 + HG2 ARG 84 OK 63 64 100 99 3.7-6.9 ~11320=49, 11278/1.8=30...(24) HB3 ASN 85 + HG3 ARG 84 OK 63 64 100 99 3.3-6.8 ~11320=49, 11278/1.8=30...(24) HB2 ASN 121 + HG LEU 122 OK 51 51 100 100 5.6-8.0 ~11092=84, 7724/4.6=74...(16) HB2 ASN 121 + HG LEU 119 OK 24 83 30 96 7.4-9.6 ~11554=41, ~11616=32...(17) HB2 ASN 13 - HG LEU 22 far 13 86 15 - 6.6-20.9 HB2 ASN 120 - HG LEU 122 far 8 54 15 - 7.0-10.3 HB3 ASN 120 - HG LEU 122 far 8 54 15 - 7.1-10.2 HB3 ASP 64 - HG3 ARG 23 far 4 87 5 - 6.6-23.9 HB3 ASP 64 - HG LEU 22 far 0 72 0 - 8.2-26.6 HB2 ASN 13 - HG3 ARG 23 far 0 99 0 - 9.0-20.4 HB2 ASN 121 - HG LEU 70 far 0 71 0 - 9.3-13.3 HB3 ASP 64 - HG LEU 122 far 0 55 0 - 9.3-13.3 HB3 ASP 64 - HG LEU 70 far 0 77 0 - 9.3-13.1 Violated in 0 structures by 0.00 A. Peak 10291 from cnoeabs.peaks (2.83, 1.87, 40.68 ppm; 6.39 A): 4 out of 4 assignments used, quality = 0.98: HB2 ASN 116 + HB3 LEU 119 OK 74 78 95 100 4.5-9.0 10294/3.0=99...(26) HB2 ASN 120 + HB3 LEU 119 OK 68 68 100 100 4.3-5.4 3.8/7665=52, 3.0/3814=49...(29) HB3 ASN 120 + HB3 LEU 119 OK 68 68 100 100 3.6-5.9 10293/3.1=52...(29) HB2 ASN 121 + HB3 LEU 119 OK 32 63 55 92 6.6-8.3 1.8/11554=55...(13) Violated in 0 structures by 0.00 A. Peak 10292 from cnoeabs.peaks (2.93, 0.80, 23.00 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASN 116 + QD2 LEU 119 OK 100 100 100 100 2.8-6.2 10295/2.1=100...(27) HE3 LYS 24 - QD2 LEU 119 far 0 60 0 - 8.3-26.7 HE2 LYS 24 - QD2 LEU 119 far 0 76 0 - 9.0-25.7 Violated in 13 structures by 0.27 A. Peak 10293 from cnoeabs.peaks (2.82, 0.80, 23.00 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.98: HB3 ASN 120 + QD2 LEU 119 OK 78 78 100 100 2.7-7.4 3.8/3796=77...(28) HB2 ASN 120 + QD2 LEU 119 OK 78 78 100 100 4.0-7.0 3.8/3796=77...(28) HB2 ASN 116 + QD2 LEU 119 OK 68 68 100 100 1.9-6.9 1.8/10292=100...(30) HB3 ASP 64 - QD2 LEU 119 far 8 81 10 - 7.7-16.8 HB2 ASN 121 - QD2 LEU 119 far 7 73 10 - 5.2-9.2 Violated in 0 structures by 0.00 A. Peak 10294 from cnoeabs.peaks (2.82, 0.94, 25.07 ppm; 4.09 A): 3 out of 5 assignments used, quality = 0.83: HB2 ASN 116 + QD1 LEU 119 OK 65 65 100 100 2.0-4.8 1.8/10295=82...(31) HB2 ASN 120 + QD1 LEU 119 OK 31 81 40 96 3.9-6.8 3.8/3804=42, ~10293=23...(26) HB3 ASN 120 + QD1 LEU 119 OK 27 81 35 96 4.1-7.0 3.8/3804=42...(26) HB2 ASN 121 - QD1 LEU 119 far 0 76 0 - 5.8-9.2 HB3 ASP 64 - QD1 LEU 119 far 0 83 0 - 9.7-14.6 Violated in 4 structures by 0.05 A. Peak 10295 from cnoeabs.peaks (2.93, 0.94, 25.07 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASN 116 + QD1 LEU 119 OK 100 100 100 100 1.7-5.4 1.8/10294=80, 10228=63...(28) HE2 LYS 24 - QD1 LEU 119 far 0 65 0 - 8.7-27.7 Violated in 16 structures by 0.35 A. Peak 10296 from cnoeabs.peaks (4.29, 0.94, 25.07 ppm; 4.03 A): 0 out of 11 assignments used, quality = 0.00: HB THR 115 - QD1 LEU 119 far 10 96 10 - 4.7-7.6 HA ALA 110 - QD1 LEU 119 far 5 100 5 - 4.7-13.6 HA ALA 109 - QD1 LEU 119 far 5 98 5 - 4.1-12.7 HA ALA 108 - QD1 LEU 119 far 5 98 5 - 5.3-13.7 HA ALA 21 - QD1 LEU 119 far 0 100 0 - 6.4-31.7 HA ALA 15 - QD1 LEU 119 far 0 100 0 - 8.2-38.2 HA ALA 16 - QD1 LEU 119 far 0 97 0 - 8.3-36.2 HA LEU 22 - QD1 LEU 119 far 0 87 0 - 8.6-28.5 HA GLN 61 - QD1 LEU 119 far 0 100 0 - 8.7-13.7 HA THR 18 - QD1 LEU 119 far 0 99 0 - 9.7-35.1 HA LYS 26 - QD1 LEU 119 far 0 89 0 - 9.7-23.1 Violated in 19 structures by 1.73 A. Peak 10300 from cnoeabs.peaks (4.02, 2.80, 37.77 ppm; 4.44 A): 7 out of 23 assignments used, quality = 1.00: HB3 SER 124 + HB2 ASN 120 OK 70 99 90 79 4.3-6.4 10355=33, 3974/11626=30...(9) HB3 SER 124 + HB3 ASN 120 OK 67 99 85 80 3.1-6.4 3974/11626=34, 10355=31...(9) HA LEU 122 + HB2 ASN 121 OK 62 64 100 97 4.1-5.6 2.9/7724=72, ~7725=47...(12) HB3 SER 124 + HB2 ASN 121 OK 58 98 60 98 4.9-6.3 3974/3.0=73, ~3968=49...(13) HB3 SER 99 + HB2 ASN 121 OK 55 88 100 63 2.0-5.5 11475/11602=31...(8) HA LEU 119 + HB2 ASN 120 OK 48 100 50 97 5.7-6.5 3.6/7670=30, 11614=22...(25) HA LEU 119 + HB3 ASN 120 OK 34 100 35 96 5.5-6.6 3.6/7670=30...(25) HB2 SER 124 - HB3 ASN 120 poor 19 65 45 65 4.2-8.1 1.8/10355=25, ~10355=19...(5) HB2 SER 124 - HB2 ASN 120 poor 15 65 35 64 5.5-7.5 1.8/10355=26, ~10355=18...(5) HA LYS 95 - HB2 ASN 121 far 10 100 10 - 4.8-10.0 HA LEU 96 - HB2 ASN 121 poor 6 84 35 21 3.7-8.4 3855/7724=12...(4) HA ALA 92 - HB2 ASN 121 far 3 70 5 - 5.7-13.0 HB2 SER 124 - HB2 ASN 121 far 3 64 5 - 5.9-6.7 HA LEU 119 - HB2 ASN 121 far 0 100 0 - 6.4-7.8 HB3 SER 99 - HB2 ASN 120 far 0 89 0 - 7.3-9.9 HA LEU 122 - HB2 ASN 120 far 0 65 0 - 7.8-8.8 HA LEU 122 - HB3 ASN 120 far 0 65 0 - 8.0-8.6 HB3 SER 99 - HB3 ASN 120 far 0 89 0 - 8.0-9.5 HA SER 50 - HB2 ASN 120 far 0 68 0 - 8.2-12.1 HA LEU 103 - HB2 ASN 121 far 0 99 0 - 8.7-12.0 HA LEU 96 - HB2 ASN 120 far 0 85 0 - 8.8-11.5 HA SER 50 - HB3 ASN 120 far 0 68 0 - 8.8-13.3 HA LEU 96 - HB3 ASN 120 far 0 85 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 10301 from cnoeabs.peaks (2.36, 2.80, 37.77 ppm; 4.95 A): 3 out of 9 assignments used, quality = 0.88: HB2 PRO 117 + HB2 ASN 120 OK 65 100 65 99 5.1-7.9 10242=65, 2.3/11561=63...(15) HB2 PRO 117 + HB2 ASN 121 OK 47 100 50 94 4.8-8.2 10242=35, 1.8/11589=32...(19) HB2 PRO 117 + HB3 ASN 120 OK 35 100 35 100 5.2-7.4 10242/1.8=61, ~11561=48...(16) HG2 GLN 127 - HB3 ASN 120 far 0 98 0 - 7.4-10.6 HG2 GLN 127 - HB2 ASN 120 far 0 98 0 - 7.9-10.1 HG2 GLN 127 - HB2 ASN 121 far 0 97 0 - 9.0-10.6 HG2 GLU 102 - HB2 ASN 121 far 0 99 0 - 9.3-13.4 HG2 GLU 128 - HB2 ASN 121 far 0 96 0 - 10.0-13.1 HG2 GLN 27 - HB2 ASN 121 far 0 96 0 - 10.0-28.9 Violated in 11 structures by 0.20 A. Peak 10302 from cnoeabs.peaks (2.03, 2.80, 37.77 ppm; 4.49 A): 5 out of 24 assignments used, quality = 0.91: HB3 PRO 117 + HB2 ASN 121 OK 60 70 90 95 3.2-7.4 10316/3.8=39...(21) HB3 PRO 117 + HB2 ASN 120 OK 42 71 60 100 4.3-7.5 1.8/10301=81...(15) HG2 PRO 117 + HB2 ASN 121 OK 32 82 45 87 4.1-8.0 2.3/10242=27...(19) HB3 PRO 117 + HB3 ASN 120 OK 28 71 40 100 4.8-7.7 ~10301=59, ~11561=41...(17) HB VAL 118 + HB2 ASN 121 OK 22 75 30 100 5.5-6.6 2.1/11604=82...(34) HG3 PRO 117 - HB2 ASN 121 poor 19 88 25 89 4.9-8.2 2.3/10242=27...(22) HG3 PRO 117 - HB2 ASN 120 far 0 89 0 - 6.2-9.7 HG2 PRO 117 - HB2 ASN 120 far 0 83 0 - 6.4-9.3 HG2 PRO 117 - HB3 ASN 120 far 0 83 0 - 6.8-9.1 HB VAL 118 - HB3 ASN 120 far 0 76 0 - 6.9-8.8 HG3 PRO 117 - HB3 ASN 120 far 0 89 0 - 7.0-9.6 HB VAL 118 - HB2 ASN 120 far 0 76 0 - 7.0-8.8 HB2 GLN 127 - HB3 ASN 120 far 0 76 0 - 8.2-12.4 HB2 LEU 62 - HB3 ASN 120 far 0 76 0 - 8.3-14.0 HB3 GLU 55 - HB2 ASN 120 far 0 99 0 - 8.6-14.2 HB2 LEU 62 - HB2 ASN 120 far 0 76 0 - 8.7-14.5 HB3 GLU 55 - HB3 ASN 120 far 0 99 0 - 8.8-15.6 HB2 GLN 127 - HB2 ASN 120 far 0 76 0 - 8.9-11.7 HG3 PRO 56 - HB3 ASN 120 far 0 68 0 - 8.9-16.2 HG3 PRO 56 - HB2 ASN 120 far 0 68 0 - 9.3-16.1 HB3 GLU 91 - HB2 ASN 121 far 0 100 0 - 9.3-17.9 HG2 PRO 56 - HB3 ASN 120 far 0 68 0 - 9.3-16.4 HG2 PRO 56 - HB2 ASN 120 far 0 68 0 - 9.8-16.3 HB2 GLN 127 - HB2 ASN 121 far 0 75 0 - 9.9-12.6 Violated in 5 structures by 0.05 A. Peak 10303 from cnoeabs.peaks (1.86, 2.80, 37.77 ppm; 4.75 A): 4 out of 6 assignments used, quality = 1.00: HB3 LEU 123 + HB2 ASN 120 OK 100 100 100 100 4.6-6.2 3927/3.0=71, ~3813=54...(28) HB3 LEU 123 + HB3 ASN 120 OK 100 100 100 100 4.9-6.2 3927/3.0=71, ~3813=54...(27) HB3 LEU 119 + HB2 ASN 120 OK 98 99 100 99 4.3-5.4 7665/3.8=37, 3814/3.0=36...(30) HB3 LEU 119 + HB3 ASN 120 OK 98 99 100 99 3.6-5.9 7665/3.8=37, 3814/3.0=36...(28) HB3 LEU 119 - HB2 ASN 121 far 0 98 0 - 6.6-8.3 HB3 LEU 123 - HB2 ASN 121 far 0 100 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 10305 from cnoeabs.peaks (1.64, 2.80, 37.77 ppm; 4.85 A): 2 out of 15 assignments used, quality = 0.92: HB2 LEU 123 + HB2 ASN 120 OK 74 99 75 100 5.0-7.5 3813/3.0=78, ~3927=53...(29) HB2 LEU 123 + HB3 ASN 120 OK 69 99 70 100 4.2-6.8 3813/3.0=78, ~3927=53...(29) HG LEU 119 - HB3 ASN 120 poor 17 83 20 - 5.3-8.1 HG LEU 119 - HB2 ASN 120 far 12 83 15 - 6.0-7.8 HD2 LYS 95 - HB2 ASN 121 far 9 95 10 - 5.1-12.5 HD3 LYS 95 - HB2 ASN 121 far 4 88 5 - 4.9-12.6 HD3 LYS 24 - HB2 ASN 121 far 4 86 5 - 5.6-35.6 HB2 LEU 123 - HB2 ASN 121 far 0 98 0 - 6.5-8.8 HD2 LYS 24 - HB2 ASN 121 far 0 84 0 - 6.7-36.5 HB2 LEU 98 - HB2 ASN 121 far 0 97 0 - 6.8-10.2 HG LEU 62 - HB2 ASN 120 far 0 99 0 - 6.8-12.4 HG LEU 62 - HB3 ASN 120 far 0 99 0 - 6.9-12.0 HG LEU 119 - HB2 ASN 121 far 0 82 0 - 7.4-9.6 HG LEU 62 - HB2 ASN 121 far 0 99 0 - 7.8-13.2 HD3 LYS 24 - HB3 ASN 120 far 0 87 0 - 10.0-35.5 Violated in 17 structures by 0.54 A. Peak 10306 from cnoeabs.peaks (0.89, 2.80, 37.77 ppm; 4.24 A): 1 out of 24 assignments used, quality = 0.97: QG1 VAL 118 + HB2 ASN 121 OK 97 97 100 100 3.7-5.4 11602=89, 2.1/11604=76...(38) QD1 LEU 98 - HB2 ASN 121 poor 18 62 30 - 5.1-9.2 QD2 LEU 123 - HB3 ASN 120 far 5 99 5 - 2.9-7.6 QD2 LEU 123 - HB2 ASN 120 far 5 99 5 - 3.9-7.9 QD1 LEU 62 - HB2 ASN 120 far 4 76 5 - 5.7-10.7 QD2 LEU 98 - HB2 ASN 121 lone 2 92 30 5 4.4-10.1 10324/3.0=1 QD1 LEU 62 - HB3 ASN 120 far 0 76 0 - 5.9-11.0 QG1 VAL 118 - HB2 ASN 120 far 0 98 0 - 5.9-7.5 QG2 VAL 57 - HB3 ASN 120 far 0 63 0 - 6.1-11.7 QG1 VAL 118 - HB3 ASN 120 far 0 98 0 - 6.1-7.4 QD2 LEU 123 - HB2 ASN 121 far 0 99 0 - 6.3-8.6 QD1 LEU 62 - HB2 ASN 121 far 0 75 0 - 6.4-11.7 QG2 VAL 57 - HB2 ASN 120 far 0 63 0 - 6.7-11.0 QD1 LEU 49 - HB3 ASN 120 far 0 78 0 - 7.2-10.8 QG2 VAL 63 - HB2 ASN 121 far 0 82 0 - 7.9-12.5 QD1 LEU 49 - HB2 ASN 120 far 0 78 0 - 8.1-10.9 QD1 LEU 49 - HB2 ASN 121 far 0 77 0 - 8.6-11.4 QG2 VAL 63 - HB2 ASN 120 far 0 83 0 - 8.9-13.8 QD2 LEU 98 - HB3 ASN 120 far 0 93 0 - 8.9-13.9 QD2 LEU 98 - HB2 ASN 120 far 0 93 0 - 9.0-14.0 QD2 LEU 69 - HB2 ASN 121 far 0 79 0 - 9.3-14.5 QD1 LEU 98 - HB3 ASN 120 far 0 63 0 - 9.4-13.9 QG2 VAL 63 - HB3 ASN 120 far 0 83 0 - 9.5-12.8 QD1 LEU 98 - HB2 ASN 120 far 0 63 0 - 9.8-13.6 Violated in 13 structures by 0.33 A. Peak 10307 from cnoeabs.peaks (0.79, 2.80, 37.77 ppm; 4.90 A): 8 out of 24 assignments used, quality = 0.98: QD1 LEU 122 + HB2 ASN 121 OK 67 86 80 97 4.8-7.3 4.3/7724=63...(19) QD2 LEU 122 + HB2 ASN 121 OK 58 100 60 97 4.3-7.1 5.1/7724=54, ~11092=52...(17) QD2 LEU 119 + HB3 ASN 120 OK 33 96 35 99 2.7-7.4 3796/3.8=48, 10293=43...(27) QD1 LEU 122 + HB2 ASN 120 OK 25 87 40 71 5.3-9.0 7667/3.8=18...(16) QD1 LEU 53 + HB3 ASN 120 OK 24 100 50 49 3.4-9.5 11629/3.0=17...(10) QD2 LEU 119 + HB2 ASN 120 OK 24 96 25 99 4.0-7.0 3796/3.8=48...(30) QD1 LEU 122 + HB3 ASN 120 OK 24 87 40 68 5.4-8.9 7667/3.8=18...(13) QD1 LEU 53 + HB2 ASN 120 OK 23 100 45 50 4.4-9.1 11629/3.0=17...(11) QD2 LEU 122 - HB2 ASN 120 far 15 100 15 - 5.7-8.7 QD2 LEU 122 - HB3 ASN 120 far 5 100 5 - 5.3-8.6 QD2 LEU 119 - HB2 ASN 121 far 5 95 5 - 5.2-9.2 QD1 LEU 53 - HB2 ASN 121 far 0 99 0 - 6.4-10.0 QD1 LEU 96 - HB2 ASN 121 far 0 88 0 - 6.8-11.0 QD1 LEU 70 - HB2 ASN 121 far 0 56 0 - 7.0-11.2 QD1 LEU 103 - HB2 ASN 121 far 0 98 0 - 7.2-10.9 QD1 LEU 103 - HB2 ASN 120 far 0 99 0 - 7.8-11.3 QD2 LEU 49 - HB2 ASN 121 far 0 98 0 - 8.3-12.5 QD2 LEU 49 - HB3 ASN 120 far 0 99 0 - 8.4-12.3 QD2 LEU 49 - HB2 ASN 120 far 0 99 0 - 8.9-12.4 QD1 LEU 103 - HB3 ASN 120 far 0 99 0 - 9.0-11.7 QD1 LEU 70 - HB2 ASN 120 far 0 57 0 - 9.7-14.7 QD1 LEU 70 - HB3 ASN 120 far 0 57 0 - 9.7-14.5 QG1 VAL 63 - HB2 ASN 121 far 0 99 0 - 9.7-13.7 QD1 LEU 96 - HB3 ASN 120 far 0 89 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 10323 from cnoeabs.peaks (1.81, 4.49, 56.15 ppm; 4.63 A): 1 out of 5 assignments used, quality = 0.33: HB3 LEU 123 + HA ASN 121 OK 33 59 75 75 5.1-6.8 4.6/7758=49, 3.9/7740=29...(8) HB3 LEU 122 - HA ASN 121 far 5 95 5 - 6.0-6.6 HB2 LEU 100 - HA ASN 121 far 0 92 0 - 6.5-10.3 HB3 LEU 98 - HA ASN 121 far 0 78 0 - 7.6-11.0 HB3 LEU 103 - HA ASN 121 far 0 93 0 - 9.3-12.0 Violated in 20 structures by 1.18 A. Peak 10324 from cnoeabs.peaks (0.90, 4.49, 56.15 ppm; 4.93 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 118 + HA ASN 121 OK 100 100 100 100 4.7-5.6 11602/3.0=76...(40) QD2 LEU 123 - HA ASN 121 far 5 95 5 - 5.2-7.4 QD2 LEU 98 - HA ASN 121 lone 2 81 25 8 5.8-10.2 11373/3837=2...(4) QD1 LEU 62 - HA ASN 121 far 0 90 0 - 6.7-11.6 QD1 LEU 49 - HA ASN 121 far 0 92 0 - 7.8-10.3 QG2 VAL 63 - HA ASN 121 far 0 95 0 - 8.7-12.7 QD2 LEU 69 - HA ASN 121 far 0 63 0 - 9.4-13.7 Violated in 17 structures by 0.35 A. Peak 10325 from cnoeabs.peaks (2.07, 2.98, 37.82 ppm; 4.92 A): 3 out of 6 assignments used, quality = 0.99: HB VAL 118 + HB3 ASN 121 OK 97 97 100 100 4.4-4.9 3.0/3735=83...(30) HG2 PRO 117 + HB3 ASN 121 OK 67 95 75 95 4.3-7.2 3729/3735=25, ~10242=23...(23) HG3 PRO 117 + HB3 ASN 121 OK 38 90 45 93 5.0-7.2 ~10242=23, ~11589=22...(21) HB2 GLU 102 - HB3 ASN 121 far 0 92 0 - 7.4-12.3 HB2 LEU 62 - HB3 ASN 121 far 0 97 0 - 8.6-14.3 HB2 GLN 127 - HB3 ASN 121 far 0 97 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 10327 from cnoeabs.peaks (0.98, 2.98, 37.82 ppm; 6.80 A): 2 out of 7 assignments used, quality = 0.78: QG2 VAL 118 + HB3 ASN 121 OK 57 57 100 100 2.8-3.7 3.2/3735=100...(32) QG1 VAL 126 + HB3 ASN 121 OK 48 76 95 67 6.4-9.4 11749/7725=57...(3) QG2 VAL 126 - HB3 ASN 121 poor 18 90 45 44 6.9-9.3 11749/7725=24...(3) QD2 LEU 53 - HB3 ASN 121 poor 13 95 40 33 6.0-10.9 10320/7700=12...(6) QD1 LEU 69 - HB3 ASN 121 far 3 60 5 - 7.5-13.1 QG1 VAL 112 - HB3 ASN 121 far 0 96 0 - 9.5-13.5 QG2 VAL 105 - HB3 ASN 121 far 0 73 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 10337 from cnoeabs.peaks (1.39, 0.79, 26.05 ppm; 3.90 A): 3 out of 26 assignments used, quality = 1.00: HB3 LEU 100 + QD2 LEU 122 OK 97 97 100 100 1.6-4.1 3.2/11492=27...(71) HB2 LEU 96 + QD2 LEU 122 OK 80 98 85 95 1.8-7.0 3.0/3901=19, 3072=17...(57) HG LEU 96 + QD2 LEU 122 OK 65 99 75 88 3.1-8.6 3.7/3901=16...(36) HB3 LEU 100 - QD1 LEU 53 far 13 88 15 - 4.3-10.9 QB ALA 29 - QD1 LEU 53 far 4 89 5 - 4.6-16.8 QB ALA 108 - QD2 LEU 122 far 0 100 0 - 5.4-11.8 HB2 LEU 96 - QD1 LEU 53 far 0 89 0 - 6.0-9.6 QB ALA 110 - QD2 LEU 122 far 0 99 0 - 6.5-13.7 QB ALA 28 - QD1 LEU 53 far 0 92 0 - 6.5-18.2 QB ALA 110 - QD1 LEU 53 far 0 91 0 - 6.8-17.5 QB ALA 29 - QD2 LEU 122 far 0 98 0 - 6.9-11.8 QB ALA 108 - QD1 LEU 53 far 0 92 0 - 7.0-16.9 HG3 LYS 95 - QD2 LEU 122 far 0 100 0 - 7.0-9.9 QB ALA 109 - QD2 LEU 122 far 0 100 0 - 7.3-12.3 HG LEU 96 - QD1 LEU 53 far 0 90 0 - 7.4-11.7 HG2 LYS 95 - QD2 LEU 122 far 0 100 0 - 7.4-10.6 QB ALA 34 - QD2 LEU 122 far 0 60 0 - 8.7-16.1 QB ALA 109 - QD1 LEU 53 far 0 93 0 - 8.7-14.2 QB ALA 16 - QD1 LEU 53 far 0 82 0 - 8.9-28.4 HG3 LYS 26 - QD1 LEU 53 far 0 90 0 - 8.9-23.1 HG3 LYS 26 - QD2 LEU 122 far 0 99 0 - 8.9-17.6 QB ALA 28 - QD2 LEU 122 far 0 99 0 - 9.2-12.8 QB ALA 15 - QD1 LEU 53 far 0 91 0 - 9.4-28.8 HB2 LEU 42 - QD2 LEU 122 far 0 97 0 - 9.6-14.3 HG2 LYS 95 - QD1 LEU 53 far 0 93 0 - 9.7-13.4 HG3 LYS 95 - QD1 LEU 53 far 0 93 0 - 9.9-14.4 Violated in 1 structures by 0.01 A. Peak 10338 from cnoeabs.peaks (0.66, 0.97, 25.20 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.62: QD2 LEU 62 + QD2 LEU 53 OK 62 96 70 92 1.8-6.5 10038/1679=44...(17) QD2 LEU 100 - QD2 LEU 53 lone 2 92 25 7 2.6-11.2 11483/11818=5 QD1 ILE 129 - QD2 LEU 53 far 0 76 0 - 7.1-10.2 Violated in 11 structures by 0.92 A. Peak 10347 from cnoeabs.peaks (0.67, 0.93, 23.65 ppm; 3.85 A): 2 out of 9 assignments used, quality = 0.80: QD2 LEU 62 + QD1 LEU 123 OK 66 97 70 97 2.0-7.0 10348/2.1=39...(39) QD2 LEU 62 + QD1 LEU 49 OK 40 49 100 82 3.2-5.1 10944/3.2=24...(20) QD2 LEU 62 - QD2 LEU 48 poor 12 39 30 - 3.4-8.7 QD2 LEU 100 - QD1 LEU 49 far 7 46 15 - 5.1-8.6 QD1 ILE 129 - QD1 LEU 49 far 5 31 15 - 5.1-6.8 QD2 LEU 100 - QD1 LEU 123 far 0 95 0 - 5.9-9.7 QD1 ILE 129 - QD1 LEU 123 far 0 71 0 - 6.4-8.4 QD2 LEU 100 - QD2 LEU 48 far 0 37 0 - 6.9-12.6 QD1 ILE 129 - QD2 LEU 48 far 0 24 0 - 8.7-10.8 Violated in 9 structures by 0.26 A. Peak 10348 from cnoeabs.peaks (0.68, 0.88, 25.36 ppm; 4.48 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 62 + QD2 LEU 123 OK 100 100 100 100 1.7-5.2 10347/2.1=83...(48) QD2 LEU 100 + QD2 LEU 123 OK 48 100 60 81 4.0-8.4 3.2/11421=64...(14) QD1 LEU 43 - QD2 LEU 123 far 0 83 0 - 8.5-13.5 Violated in 2 structures by 0.03 A. Peak 10349 from cnoeabs.peaks (4.00, 0.88, 25.36 ppm; 4.08 A): 2 out of 11 assignments used, quality = 0.99: HA SER 50 + QD2 LEU 123 OK 96 100 100 97 1.7-4.8 11874/2.1=57, 340=22...(31) HA LEU 119 + QD2 LEU 123 OK 67 73 95 97 3.2-6.1 4.9/11632=40...(35) HB3 SER 124 - QD2 LEU 123 far 3 63 5 - 4.8-6.3 HB2 SER 124 - QD2 LEU 123 far 0 99 0 - 5.8-7.0 HB3 SER 99 - QD2 LEU 123 far 0 100 0 - 6.1-9.5 HB3 SER 51 - QD2 LEU 123 far 0 83 0 - 6.2-8.6 HA ILE 37 - QD2 LEU 123 far 0 85 0 - 8.2-18.8 HA GLN 68 - QD2 LEU 123 far 0 99 0 - 8.4-12.5 HA LEU 103 - QD2 LEU 123 far 0 92 0 - 8.6-12.0 HA SER 60 - QD2 LEU 123 far 0 99 0 - 8.7-13.5 HA LYS 95 - QD2 LEU 123 far 0 87 0 - 9.8-11.9 Violated in 3 structures by 0.03 A. Peak 10350 from cnoeabs.peaks (4.31, 0.74, 25.24 ppm; 5.70 A): 1 out of 5 assignments used, quality = 0.81: HA ASN 59 + QD2 LEU 103 OK 81 81 100 100 3.4-4.7 11837/2.1=98...(30) HA ALA 110 - QD2 LEU 103 far 6 60 10 - 5.3-11.7 HA ALA 15 - QD2 LEU 103 far 0 63 0 - 9.2-36.2 HA LEU 69 - QD2 LEU 103 far 0 87 0 - 10.0-13.5 HA ARG 23 - QD2 LEU 103 far 0 65 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 10351 from cnoeabs.peaks (8.90, 0.93, 23.65 ppm; 5.64 A): 3 out of 5 assignments used, quality = 0.75: H GLY 66 + QD1 LEU 49 OK 51 53 100 95 4.9-7.1 ~9208=37, ~9208=36...(16) H GLY 66 + QD1 LEU 123 OK 33 100 40 83 5.3-9.8 9384/10347=52...(13) H GLY 66 + QD2 LEU 48 OK 23 43 65 83 5.2-9.6 3.6/9418=54...(8) H ASN 59 - QD1 LEU 123 far 0 98 0 - 8.4-14.9 H ASN 59 - QD2 LEU 48 far 0 40 0 - 9.0-16.0 Violated in 2 structures by 0.01 A. Peak 10355 from cnoeabs.peaks (2.78, 4.03, 62.56 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.97: HB2 ASN 121 + HB3 SER 124 OK 83 83 100 100 4.9-6.3 3.0/3974=89, ~3968=65...(13) HB2 ASN 120 + HB3 SER 124 OK 62 78 100 79 4.3-6.4 11626/3974=28...(11) HB3 ASN 120 + HB3 SER 124 OK 62 78 100 79 3.1-6.4 11626/3974=29...(10) Violated in 0 structures by 0.00 A. Peak 10370 from cnoeabs.peaks (1.84, 4.24, 61.64 ppm; 5.43 A): 2 out of 5 assignments used, quality = 1.00: HB3 LEU 123 + HA SER 124 OK 98 98 100 100 3.7-5.5 1.8/11573=79, ~7763=71...(16) HB VAL 93 + HA SER 94 OK 86 86 100 100 4.0-5.1 2.1/9963=98, 2.1/9956=93...(18) HB2 LEU 100 - HA SER 94 far 0 75 0 - 8.1-9.5 HB3 LEU 119 - HA SER 124 far 0 60 0 - 8.2-10.6 HB3 LYS 24 - HA SER 94 far 0 56 0 - 8.6-32.2 Violated in 0 structures by 0.00 A. Peak 10371 from cnoeabs.peaks (1.61, 4.03, 62.56 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.74: HB2 LEU 122 + HB3 SER 124 OK 63 100 70 90 6.4-7.9 3.1/10373=35...(19) HG LEU 122 + HB3 SER 124 OK 30 99 35 88 6.3-8.7 2.1/10373=39...(19) HG LEU 119 - HB3 SER 124 far 0 97 0 - 9.1-11.1 Violated in 20 structures by 0.77 A. Peak 10372 from cnoeabs.peaks (0.92, 4.03, 62.56 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.68: QD1 LEU 123 + HB3 SER 124 OK 68 100 85 80 4.0-6.2 3959/3975=35, ~11573=25...(13) QD1 LEU 49 - HB3 SER 124 far 5 97 5 - 5.6-8.8 QG1 VAL 118 - HB3 SER 124 far 0 76 0 - 6.3-8.0 QD1 LEU 62 - HB3 SER 124 far 0 98 0 - 7.1-11.5 QD1 LEU 119 - HB3 SER 124 far 0 85 0 - 7.8-9.8 Violated in 18 structures by 0.82 A. Peak 10373 from cnoeabs.peaks (0.78, 4.03, 62.56 ppm; 4.47 A): 3 out of 7 assignments used, quality = 0.58: QD1 LEU 122 + HB3 SER 124 OK 31 65 60 78 5.2-7.7 3.1/10371=29...(20) QD2 LEU 122 + HB3 SER 124 OK 23 99 30 77 5.7-7.5 3.1/10371=29...(17) QD1 LEU 53 + HB3 SER 124 OK 22 93 50 46 2.4-8.4 11585/3975=13...(16) QD2 LEU 119 - HB3 SER 124 far 0 81 0 - 7.0-9.5 QD2 LEU 49 - HB3 SER 124 far 0 89 0 - 7.2-10.6 QD1 LEU 96 - HB3 SER 124 far 0 99 0 - 7.7-10.0 QD1 LEU 103 - HB3 SER 124 far 0 100 0 - 10.0-12.1 Violated in 12 structures by 0.36 A. Peak 10376 from cnoeabs.peaks (1.42, 4.35, 62.64 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.97: QB ALA 92 + HA CYS 125 OK 97 97 100 100 2.2-4.9 10444/3986=63...(28) HG LEU 96 - HA CYS 125 far 8 78 10 - 5.9-8.3 Violated in 1 structures by 0.01 A. Peak 10378 from cnoeabs.peaks (0.79, 4.35, 62.64 ppm; 5.09 A): 2 out of 5 assignments used, quality = 0.81: QD2 LEU 122 + HA CYS 125 OK 65 100 65 100 5.1-8.5 11828/3.0=71, 9259=61...(26) QD1 LEU 96 + HA CYS 125 OK 45 90 50 100 4.6-7.0 9987/3.0=73, ~9989=50...(33) QD1 LEU 53 - HA CYS 125 poor 20 99 20 - 6.0-9.0 QD1 LEU 122 - HA CYS 125 far 13 85 15 - 5.8-8.1 QD2 LEU 49 - HA CYS 125 far 0 98 0 - 7.3-9.5 Violated in 15 structures by 0.39 A. Peak 10379 from cnoeabs.peaks (0.64, 4.35, 62.64 ppm; 5.95 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + HA CYS 125 OK 100 100 100 100 3.5-4.5 10383/3.0=92...(30) QD1 LEU 42 - HA CYS 125 far 0 97 0 - 8.5-12.1 Violated in 0 structures by 0.00 A. Peak 10380 from cnoeabs.peaks (1.41, 2.74, 27.12 ppm; 4.73 A): 4 out of 6 assignments used, quality = 0.99: HG LEU 96 + HB2 CYS 125 OK 89 93 95 100 3.9-6.4 ~9987=67, 11827/1.8=63...(32) QB ALA 92 + HB2 CYS 125 OK 87 87 100 100 2.2-4.8 10376/3.0=70...(23) HG2 LYS 95 + HB2 CYS 125 OK 54 73 75 98 3.4-7.3 2.9/11651=41...(19) HG3 LYS 95 + HB2 CYS 125 OK 24 68 35 99 1.8-7.8 2.9/11651=41...(19) QB ALA 110 - HB2 CYS 125 far 0 60 0 - 8.2-21.5 QB ALA 108 - HB2 CYS 125 far 0 65 0 - 9.2-18.6 Violated in 0 structures by 0.00 A. Peak 10381 from cnoeabs.peaks (0.96, 2.74, 27.12 ppm; 5.26 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 126 + HB2 CYS 125 OK 100 100 100 100 3.1-5.9 11683/1.8=96, 11684=83...(24) QG1 VAL 126 + HB2 CYS 125 OK 100 100 100 100 3.1-5.5 2.1/11684=76, ~11683=72...(26) QD2 LEU 53 - HB2 CYS 125 far 0 100 0 - 7.1-11.8 QD1 LEU 119 - HB2 CYS 125 far 0 83 0 - 8.3-12.6 QG2 ILE 37 - HB2 CYS 125 far 0 68 0 - 9.5-16.0 Violated in 0 structures by 0.00 A. Peak 10382 from cnoeabs.peaks (0.75, 2.74, 27.12 ppm; 4.05 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 96 + HB2 CYS 125 OK 100 100 100 100 2.4-5.1 9989/1.8=59, ~9987=51...(34) QD1 LEU 96 + HB2 CYS 125 OK 78 83 95 100 2.5-5.7 9987/1.8=59, ~9989=41...(30) HG12 ILE 129 + HB2 CYS 125 OK 64 100 65 98 4.0-6.9 2.1/10383=61, ~10388=42...(18) QG1 VAL 93 - HB2 CYS 125 far 5 100 5 - 5.2-7.2 QD2 LEU 103 - HB2 CYS 125 far 0 97 0 - 8.4-12.5 Violated in 1 structures by 0.01 A. Peak 10383 from cnoeabs.peaks (0.63, 2.74, 27.12 ppm; 5.35 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 129 + HB2 CYS 125 OK 99 99 100 100 2.6-3.9 10388/1.8=93...(27) QD1 LEU 42 - HB2 CYS 125 far 0 100 0 - 8.3-12.3 Violated in 0 structures by 0.00 A. Peak 10384 from cnoeabs.peaks (2.06, 3.21, 27.12 ppm; 6.27 A): 2 out of 4 assignments used, quality = 0.96: HB2 GLU 128 + HB3 CYS 125 OK 87 87 100 100 5.0-7.4 3986/3.0=86, ~11463=67...(19) HB2 GLN 127 + HB3 CYS 125 OK 69 99 75 92 6.4-8.6 10360/7784=50, 10147=48...(9) HB3 GLU 91 - HB3 CYS 125 far 9 57 15 - 6.5-12.0 HB VAL 118 - HB3 CYS 125 far 0 99 0 - 8.4-11.9 Violated in 2 structures by 0.04 A. Peak 10385 from cnoeabs.peaks (1.39, 3.21, 27.12 ppm; 4.64 A): 4 out of 7 assignments used, quality = 1.00: HG LEU 96 + HB3 CYS 125 OK 100 100 100 100 3.3-6.1 2.1/9987=86, 11827=74...(29) HB2 LEU 96 + HB3 CYS 125 OK 93 93 100 100 2.0-4.2 3.2/9987=73, 3.2/9989=61...(39) HG2 LYS 95 + HB3 CYS 125 OK 63 99 65 97 3.4-7.7 3.0/11597=33...(19) HG3 LYS 95 + HB3 CYS 125 OK 43 98 45 97 3.4-8.0 3.0/11597=33...(19) HB3 LEU 100 - HB3 CYS 125 far 5 92 5 - 5.7-8.5 QB ALA 110 - HB3 CYS 125 far 0 96 0 - 7.3-21.7 QB ALA 108 - HB3 CYS 125 far 0 97 0 - 9.2-19.2 Violated in 0 structures by 0.00 A. Peak 10386 from cnoeabs.peaks (0.94, 3.21, 27.12 ppm; 4.76 A): 2 out of 8 assignments used, quality = 0.99: QG1 VAL 126 + HB3 CYS 125 OK 93 93 100 100 3.0-6.1 2.1/11683=84...(25) QG2 VAL 126 + HB3 CYS 125 OK 81 81 100 100 4.2-5.8 11683=72, 4.0/7795=57...(24) QD1 LEU 123 - HB3 CYS 125 far 0 92 0 - 6.3-9.2 QD1 LEU 49 - HB3 CYS 125 far 0 57 0 - 6.3-8.5 QD2 LEU 53 - HB3 CYS 125 far 0 73 0 - 7.0-11.1 QD1 LEU 62 - HB3 CYS 125 far 0 60 0 - 7.4-12.0 QD1 LEU 119 - HB3 CYS 125 far 0 100 0 - 9.6-12.9 QG2 ILE 37 - HB3 CYS 125 far 0 99 0 - 9.7-16.1 Violated in 2 structures by 0.01 A. Peak 10387 from cnoeabs.peaks (0.77, 3.21, 27.12 ppm; 3.92 A): 4 out of 10 assignments used, quality = 0.99: QD1 LEU 96 + HB3 CYS 125 OK 90 100 90 100 3.2-5.7 9987=97, 2.1/9989=52...(28) QD2 LEU 96 + HB3 CYS 125 OK 67 71 95 100 1.9-5.4 2.1/9987=69...(28) QD2 LEU 122 + HB3 CYS 125 OK 55 95 60 96 3.0-7.7 11828/1.8=46...(23) HG12 ILE 129 + HB3 CYS 125 OK 39 73 55 97 3.8-7.3 2.1/10388=54, ~10383=41...(17) QG1 VAL 93 - HB3 CYS 125 far 7 73 10 - 5.3-7.8 QD2 LEU 49 - HB3 CYS 125 far 0 76 0 - 6.2-8.7 QD1 LEU 53 - HB3 CYS 125 far 0 83 0 - 6.2-9.0 QD1 LEU 103 - HB3 CYS 125 far 0 99 0 - 9.2-13.2 QD2 LEU 119 - HB3 CYS 125 far 0 65 0 - 9.4-11.9 QG1 VAL 63 - HB3 CYS 125 far 0 98 0 - 10.0-13.0 Violated in 1 structures by 0.02 A. Peak 10388 from cnoeabs.peaks (0.62, 3.21, 27.12 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.93: QD1 ILE 129 + HB3 CYS 125 OK 89 89 100 100 2.6-4.4 10383/1.8=95...(24) QD1 LEU 100 + HB3 CYS 125 OK 38 78 55 89 5.7-9.5 11918/11827=69...(11) QD1 LEU 42 - HB3 CYS 125 far 5 97 5 - 7.8-12.7 Violated in 0 structures by 0.00 A. Peak 10391 from cnoeabs.peaks (3.44, 4.35, 62.64 ppm; 5.90 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 126 + HA CYS 125 OK 100 100 100 100 4.8-4.9 5.0=100 HA ILE 129 + HA CYS 125 OK 68 68 100 100 5.8-7.1 5.0/11590=71...(16) Violated in 0 structures by 0.00 A. Peak 10393 from cnoeabs.peaks (3.85, 0.96, 22.68 ppm; 3.44 A): 1 out of 4 assignments used, quality = 0.91: HA LEU 123 + QG1 VAL 126 OK 91 99 100 92 1.7-4.2 3917/2.1=43, 3916/4.0=26...(23) HB2 SER 50 - QG1 VAL 126 poor 17 87 20 - 4.1-7.9 HA LEU 70 - QG1 VAL 126 poor 15 68 45 50 2.8-6.4 2.9/11665=14...(9) HA LEU 62 - QG1 VAL 126 far 0 97 0 - 6.7-8.9 Violated in 6 structures by 0.07 A. Peak 10394 from cnoeabs.peaks (3.98, 0.96, 22.68 ppm; 3.73 A): 2 out of 11 assignments used, quality = 0.73: HA GLN 127 + QG1 VAL 126 OK 58 90 65 98 2.9-5.4 2.9/4020=33, ~7809=32...(26) HA SER 50 + QG1 VAL 126 OK 36 97 45 82 3.9-7.6 2.9/11601=51...(18) HB2 SER 124 - QG1 VAL 126 far 0 97 0 - 5.4-8.3 HB3 SER 99 - QG1 VAL 126 far 0 83 0 - 5.5-8.5 HA THR 65 - QG1 VAL 126 far 0 92 0 - 5.6-8.4 HA LEU 100 - QG1 VAL 126 far 0 73 0 - 5.8-8.5 HA GLN 68 - QG1 VAL 126 far 0 99 0 - 6.2-10.1 HB3 SER 107 - QG1 VAL 126 far 0 71 0 - 8.3-15.3 HB3 SER 51 - QG1 VAL 126 far 0 100 0 - 8.5-11.7 HB3 SER 94 - QG1 VAL 126 far 0 95 0 - 8.5-10.9 HA GLU 91 - QG1 VAL 126 far 0 100 0 - 9.3-11.9 Violated in 9 structures by 0.60 A. Peak 10395 from cnoeabs.peaks (4.35, 0.96, 22.68 ppm; 5.79 A): 3 out of 4 assignments used, quality = 1.00: HA CYS 125 + QG1 VAL 126 OK 100 100 100 100 4.7-6.1 ~11683=67, 3.6/4015=67...(31) HA LEU 69 + QG1 VAL 126 OK 58 83 90 77 4.0-8.2 3.6/11665=38...(10) HA ASP 47 + QG1 VAL 126 OK 51 99 55 93 5.8-9.5 1468/11601=64...(10) HA ASN 59 - QG1 VAL 126 far 0 89 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 10396 from cnoeabs.peaks (3.87, 0.96, 23.84 ppm; 3.76 A): 3 out of 7 assignments used, quality = 0.95: HA LEU 123 + QG2 VAL 126 OK 73 76 100 96 1.7-4.8 10393/2.1=60...(21) HA ALA 46 + QG2 VAL 126 OK 71 71 100 100 2.7-4.9 2.1/11616=68, ~10409=50...(23) HA LEU 70 + QG2 VAL 126 OK 41 97 60 70 2.3-7.1 11709/11692=29...(14) HB3 SER 50 - QG2 VAL 126 far 4 87 5 - 4.9-8.5 HA LEU 62 - QG2 VAL 126 far 0 71 0 - 6.2-9.0 HA2 GLY 2 - QG2 VAL 126 far 0 76 0 - 7.6-57.6 HA3 GLY 2 - QG2 VAL 126 far 0 76 0 - 8.9-57.8 Violated in 0 structures by 0.00 A. Peak 10397 from cnoeabs.peaks (4.01, 0.96, 23.84 ppm; 4.35 A): 2 out of 9 assignments used, quality = 0.65: HA LEU 96 + QG2 VAL 126 OK 47 63 85 88 3.4-6.6 3994/11683=18, ~11620=17...(27) HA SER 50 + QG2 VAL 126 OK 35 89 45 87 4.2-7.5 ~11601=42, ~11666=34...(14) HB3 SER 124 - QG2 VAL 126 poor 19 90 35 61 5.3-8.3 3.0/10398=38...(8) HB2 SER 124 - QG2 VAL 126 poor 17 87 35 57 5.3-8.6 3.0/10398=38...(4) HA LEU 119 - QG2 VAL 126 far 5 96 5 - 5.6-8.9 HB3 SER 99 - QG2 VAL 126 far 0 99 0 - 5.9-8.9 HA GLN 68 - QG2 VAL 126 far 0 83 0 - 6.3-9.9 HA LYS 95 - QG2 VAL 126 far 0 99 0 - 7.3-10.3 HA ILE 37 - QG2 VAL 126 far 0 99 0 - 7.4-14.2 Violated in 15 structures by 0.29 A. Peak 10401 from cnoeabs.peaks (0.80, 3.43, 67.09 ppm; 4.09 A): 6 out of 12 assignments used, quality = 0.99: QG2 ILE 129 + HA VAL 126 OK 71 71 100 100 3.7-4.8 2.1/4007=67...(31) QD1 LEU 96 + HA VAL 126 OK 70 71 100 98 1.9-4.9 2.1/11807=54, 11452=31...(27) QD2 LEU 49 + HA VAL 126 OK 65 100 70 92 4.3-6.3 11061/11052=29...(16) QD2 LEU 122 + HA VAL 126 OK 61 97 65 97 3.5-7.7 9259/5.0=27, 1676/3.2=19...(37) QD1 LEU 122 + HA VAL 126 OK 28 97 30 95 3.8-6.9 11676/3.2=23...(29) QD1 LEU 70 + HA VAL 126 OK 24 78 55 55 3.6-7.9 ~11083=11, ~11109=8...(15) QD1 LEU 53 - HA VAL 126 far 0 100 0 - 6.1-8.4 QD1 ILE 37 - HA VAL 126 far 0 87 0 - 7.9-12.3 QG2 ILE 80 - HA VAL 126 far 0 89 0 - 8.2-13.2 QD2 LEU 119 - HA VAL 126 far 0 100 0 - 9.5-12.4 QD1 ILE 32 - HA VAL 126 far 0 83 0 - 9.6-14.1 QG1 VAL 63 - HA VAL 126 far 0 93 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 10402 from cnoeabs.peaks (0.65, 3.43, 67.09 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.98: QD1 ILE 129 + HA VAL 126 OK 98 98 100 100 1.6-2.4 11639=87, 3.2/4007=50...(29) QD1 LEU 42 - HA VAL 126 far 9 90 10 - 4.6-9.1 QD2 LEU 100 - HA VAL 126 far 0 60 0 - 7.3-9.7 QD2 LEU 62 - HA VAL 126 far 0 68 0 - 7.6-9.6 Violated in 0 structures by 0.00 A. Peak 10403 from cnoeabs.peaks (1.35, 3.43, 67.09 ppm; 6.42 A): 2 out of 5 assignments used, quality = 0.99: QB ALA 46 + HA VAL 126 OK 97 97 100 100 3.6-5.6 10409/3.2=99...(19) HB2 LEU 96 + HA VAL 126 OK 63 63 100 100 2.2-5.0 3.2/11807=88...(40) HB3 LEU 100 - HA VAL 126 poor 20 65 45 67 7.1-9.4 ~11678=21, 3.0/10406=16...(10) HB2 LEU 42 - HA VAL 126 far 0 68 0 - 8.5-11.0 QB ALA 29 - HA VAL 126 far 0 63 0 - 9.4-15.9 Violated in 0 structures by 0.00 A. Peak 10404 from cnoeabs.peaks (1.42, 3.43, 67.09 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 92 + HA VAL 126 OK 99 99 100 100 3.6-4.8 10491/10402=100...(20) HG LEU 96 + HA VAL 126 OK 71 71 100 100 4.0-5.6 2.1/11807=93...(31) QB ALA 34 - HA VAL 126 far 0 100 0 - 9.1-16.8 Violated in 0 structures by 0.00 A. Peak 10406 from cnoeabs.peaks (1.75, 3.43, 67.09 ppm; 6.76 A): 2 out of 3 assignments used, quality = 0.99: HG13 ILE 129 + HA VAL 126 OK 98 98 100 100 3.8-4.9 2.1/10402=100...(29) HG LEU 100 + HA VAL 126 OK 30 73 55 74 7.1-10.7 11678/3.2=26, ~10410=19...(11) HB2 LEU 43 - HA VAL 126 far 0 68 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 10407 from cnoeabs.peaks (0.79, 2.10, 31.38 ppm; 4.08 A): 5 out of 11 assignments used, quality = 1.00: QD2 LEU 49 + HB VAL 126 OK 87 98 100 89 2.0-5.5 11681/2.1=29, ~11615=27...(12) QD1 LEU 96 + HB VAL 126 OK 86 90 100 95 1.9-5.3 11453=38, 11452/3.0=35...(19) QD2 LEU 122 + HB VAL 126 OK 76 100 80 95 1.7-7.6 ~11678=24, 1676/2.1=22...(30) QD1 LEU 122 + HB VAL 126 OK 65 85 80 95 1.8-6.1 ~11678=24, 11676/2.1=23...(26) QD1 LEU 53 + HB VAL 126 OK 20 99 35 59 4.4-7.7 ~11679=13, ~1668=8...(15) QD1 ILE 37 - HB VAL 126 far 0 98 0 - 6.7-12.6 QD2 LEU 119 - HB VAL 126 far 0 95 0 - 8.0-10.7 QG1 VAL 63 - HB VAL 126 far 0 100 0 - 8.3-10.7 QD1 LEU 103 - HB VAL 126 far 0 99 0 - 8.5-13.9 QD1 ILE 32 - HB VAL 126 far 0 97 0 - 8.8-12.4 QG2 ILE 80 - HB VAL 126 far 0 68 0 - 9.2-15.3 Violated in 0 structures by 0.00 A. Peak 10409 from cnoeabs.peaks (1.34, 0.96, 22.68 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.82: QB ALA 46 + QG1 VAL 126 OK 82 100 85 97 2.3-5.3 11616/2.1=45, 9175=40...(23) QB ALA 21 - QG1 VAL 126 far 0 100 0 - 9.8-22.8 Violated in 16 structures by 0.87 A. Peak 10410 from cnoeabs.peaks (0.66, 0.96, 22.68 ppm; 4.29 A): 3 out of 3 assignments used, quality = 0.91: QD1 ILE 129 + QG1 VAL 126 OK 76 76 100 100 3.0-4.7 3.2/11618=57...(38) QD2 LEU 62 + QG1 VAL 126 OK 40 96 95 44 4.0-6.1 1998/10393=20...(8) QD2 LEU 100 + QG1 VAL 126 OK 36 92 75 52 4.7-6.7 ~11678=16, 3257/11665=8...(13) Violated in 0 structures by 0.00 A. Peak 10435 from cnoeabs.peaks (0.91, 2.35, 33.92 ppm; 4.13 A): 2 out of 34 assignments used, quality = 1.00: QD1 LEU 49 + HG2 GLN 127 OK 95 100 100 95 2.2-4.1 10437/1.8=43...(19) QD1 LEU 123 + HG2 GLN 127 OK 94 95 100 100 1.7-5.5 11638=91, 11637/1.8=78...(19) QD1 LEU 48 - HG2 GLN 27 far 12 81 15 - 3.0-19.6 QD1 LEU 62 - HG2 GLN 27 far 9 85 10 - 4.9-19.0 QG2 VAL 63 - HG2 GLN 27 far 8 85 10 - 2.4-18.0 QD2 LEU 48 - HG2 GLN 27 far 8 84 10 - 4.4-20.9 QG2 VAL 63 - HG3 GLN 27 far 8 83 10 - 3.5-17.4 QD2 LEU 48 - HG3 GLN 27 far 8 82 10 - 3.8-20.2 QD1 LEU 48 - HG3 GLN 27 far 8 80 10 - 2.0-18.6 QG2 VAL 20 - HG2 GLN 27 far 6 58 10 - 5.1-14.5 QD1 LEU 62 - HG3 GLN 27 far 4 84 5 - 5.2-18.2 QG1 VAL 118 - HG2 GLN 27 far 4 73 5 - 5.3-20.4 QD1 LEU 22 - HG3 GLN 27 far 3 63 5 - 5.2-14.5 QG2 VAL 20 - HG3 GLN 27 far 0 57 0 - 5.7-13.8 QG1 VAL 20 - HG2 GLN 27 far 0 83 0 - 5.8-16.7 QD1 LEU 22 - HG2 GLN 27 far 0 64 0 - 5.9-15.2 QD1 LEU 48 - HG2 GLN 127 far 0 98 0 - 6.4-10.1 QG1 VAL 118 - HG3 GLN 27 far 0 72 0 - 6.4-19.2 QG1 VAL 20 - HG3 GLN 27 far 0 81 0 - 6.6-16.0 QD1 LEU 62 - HG2 GLN 127 far 0 100 0 - 7.0-9.8 QG1 VAL 118 - HG2 GLN 127 far 0 92 0 - 7.1-10.4 QD2 LEU 48 - HG2 GLN 127 far 0 99 0 - 7.3-9.3 QD1 LEU 49 - HG3 GLN 27 far 0 84 0 - 7.6-20.4 QD1 LEU 49 - HG2 GLN 27 far 0 85 0 - 7.8-21.5 QD1 LEU 119 - HG2 GLN 27 far 0 49 0 - 7.8-23.6 QD1 LEU 119 - HG3 GLN 27 far 0 48 0 - 8.3-22.8 QG2 VAL 112 - HG2 GLN 27 far 0 81 0 - 8.4-29.0 QG2 ILE 37 - HG3 GLN 27 far 0 61 0 - 8.4-17.4 QG2 VAL 112 - HG3 GLN 27 far 0 80 0 - 8.7-27.9 QG2 ILE 37 - HG2 GLN 127 far 0 81 0 - 8.7-15.3 QD1 LEU 119 - HG2 GLN 127 far 0 65 0 - 8.7-11.0 QG2 ILE 37 - HG2 GLN 27 far 0 62 0 - 9.0-16.6 QG1 VAL 20 - HG2 GLN 127 far 0 99 0 - 9.0-29.7 QD1 LEU 123 - HG3 GLN 27 far 0 75 0 - 9.7-22.2 Violated in 0 structures by 0.00 A. Peak 10436 from cnoeabs.peaks (0.92, 2.06, 27.80 ppm; 4.26 A): 3 out of 26 assignments used, quality = 1.00: QD1 LEU 123 + HB2 GLN 127 OK 91 97 95 99 2.7-7.5 11637/3.0=66...(19) QD1 LEU 49 + HB2 GLN 127 OK 91 100 100 91 3.3-5.2 10437/3.0=35...(17) QG2 VAL 112 + HG3 PRO 113 OK 46 65 70 100 4.1-6.1 10131/2.3=81...(45) QD1 LEU 62 - HG3 PRO 113 far 10 67 15 - 4.8-11.3 QD1 LEU 119 - HG3 PRO 113 far 6 41 15 - 3.8-11.1 QD1 LEU 62 - HG3 PRO 58 far 4 76 5 - 5.6-7.7 QG2 VAL 63 - HG3 PRO 113 far 3 66 5 - 5.2-13.2 QD1 LEU 22 - HG3 PRO 58 far 3 53 5 - 3.9-27.7 QG2 VAL 112 - HG3 PRO 58 far 0 74 0 - 6.4-16.5 QG1 VAL 20 - HG3 PRO 58 far 0 73 0 - 6.5-29.0 QD1 LEU 119 - HG3 PRO 58 far 0 47 0 - 6.7-13.4 QG2 VAL 63 - HG3 PRO 58 far 0 75 0 - 6.7-8.3 QD2 LEU 48 - HG3 PRO 58 far 0 74 0 - 7.2-13.7 QD1 LEU 48 - HB2 GLN 127 far 0 99 0 - 7.3-11.7 QG2 VAL 20 - HG3 PRO 58 far 0 47 0 - 7.5-26.8 QD2 LEU 48 - HB2 GLN 127 far 0 99 0 - 8.0-10.4 QG1 VAL 118 - HB2 GLN 127 far 0 89 0 - 8.1-12.0 QD1 LEU 123 - HG3 PRO 58 far 0 71 0 - 8.2-14.7 QD1 LEU 123 - HG3 PRO 113 far 0 62 0 - 8.5-17.1 QG1 VAL 118 - HG3 PRO 113 far 0 54 0 - 8.5-13.5 QD1 LEU 62 - HB2 GLN 127 far 0 100 0 - 8.6-11.7 QD2 LEU 48 - HG3 PRO 113 far 0 64 0 - 9.0-21.3 QD1 LEU 48 - HG3 PRO 58 far 0 74 0 - 9.3-14.3 QG1 VAL 118 - HG3 PRO 58 far 0 62 0 - 9.7-15.8 QD1 LEU 49 - HG3 PRO 58 far 0 76 0 - 9.7-12.8 QG2 ILE 37 - HB2 GLN 127 far 0 85 0 - 9.8-15.4 Violated in 1 structures by 0.01 A. Peak 10437 from cnoeabs.peaks (0.92, 2.49, 33.92 ppm; 4.00 A): 2 out of 10 assignments used, quality = 1.00: QD1 LEU 123 + HG3 GLN 127 OK 94 99 95 100 1.6-6.0 11637=91, 11638/1.8=76...(20) QD1 LEU 49 + HG3 GLN 127 OK 93 99 100 94 1.7-4.9 10727/1.8=37, 10961=33...(19) QD1 LEU 48 - HG3 GLN 127 far 0 100 0 - 5.9-10.2 QD2 LEU 48 - HG3 GLN 127 far 0 97 0 - 6.9-10.3 QD1 LEU 62 - HG3 GLN 127 far 0 99 0 - 7.1-10.2 QG2 ILE 37 - HG3 GLN 127 far 0 90 0 - 7.8-16.1 QG1 VAL 118 - HG3 GLN 127 far 0 83 0 - 7.9-11.1 QD1 LEU 119 - HG3 GLN 127 far 0 78 0 - 8.8-12.0 QG1 VAL 20 - HG3 GLN 127 far 0 96 0 - 9.1-29.9 QG1 VAL 57 - HG3 GLN 127 far 0 60 0 - 9.5-13.9 Violated in 1 structures by 0.01 A. Peak 10442 from cnoeabs.peaks (1.13, 4.20, 59.03 ppm; 5.01 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 132 + HA GLU 128 OK 94 100 95 99 3.7-6.6 4.0/7908=57...(15) QG2 VAL 132 + HA GLU 128 OK 94 95 100 99 3.8-6.1 4.0/7908=57...(15) Violated in 0 structures by 0.00 A. Peak 10443 from cnoeabs.peaks (0.83, 4.20, 59.03 ppm; 4.13 A): 0 out of 6 assignments used, quality = 0.00: QG2 ILE 129 - HA GLU 128 far 0 100 0 - 6.0-6.1 QG1 VAL 133 - HA GLU 128 far 0 97 0 - 6.3-6.9 QD2 LEU 49 - HA GLU 128 far 0 57 0 - 7.9-9.5 QD1 LEU 122 - HA GLU 128 far 0 83 0 - 8.7-11.3 QD1 LEU 70 - HA GLU 128 far 0 99 0 - 8.9-13.3 QG2 ILE 80 - HA GLU 128 far 0 95 0 - 9.6-12.4 Violated in 20 structures by 1.32 A. Peak 10444 from cnoeabs.peaks (1.43, 2.08, 28.41 ppm; 4.40 A): 1 out of 18 assignments used, quality = 1.00: QB ALA 92 + HB2 GLU 128 OK 100 100 100 100 2.2-4.3 10446/3.0=76...(17) HG13 ILE 32 - HB3 GLU 44 poor 19 95 20 - 4.3-17.8 HG2 LYS 26 - HB3 GLU 44 far 5 98 5 - 4.3-29.1 HG2 LYS 26 - HB2 GLU 102 far 5 95 5 - 5.8-30.3 HG2 LYS 31 - HB3 GLU 44 far 5 92 5 - 5.5-23.8 HG2 LYS 26 - HB2 GLN 61 far 3 63 5 - 3.2-26.3 HG13 ILE 32 - HB2 GLN 61 far 3 59 5 - 4.6-19.6 HG2 LYS 86 - HB3 GLN 82 far 0 50 0 - 6.7-9.2 QB ALA 16 - HB3 GLU 44 far 0 67 0 - 7.3-27.1 HG3 LYS 24 - HB2 GLN 61 far 0 51 0 - 7.9-24.5 QB ALA 16 - HB2 GLU 102 far 0 63 0 - 8.0-38.4 HG3 LYS 24 - HB3 GLU 44 far 0 86 0 - 8.0-27.0 HG3 LYS 19 - HB3 GLU 44 far 0 90 0 - 8.1-36.8 HG3 LYS 19 - HB2 GLN 61 far 0 54 0 - 8.5-32.9 HG3 LYS 24 - HB2 GLU 102 far 0 82 0 - 8.5-37.0 QB ALA 34 - HB3 GLU 44 far 0 93 0 - 8.7-12.8 QB ALA 16 - HB2 GLN 61 far 0 37 0 - 8.8-27.0 HG2 LYS 31 - HB2 GLN 61 far 0 56 0 - 8.9-24.4 Violated in 0 structures by 0.00 A. Peak 10445 from cnoeabs.peaks (1.42, 2.22, 28.41 ppm; 4.97 A): 3 out of 22 assignments used, quality = 0.98: QB ALA 92 + HB3 GLU 128 OK 93 93 100 100 2.0-5.2 10444/1.8=89...(22) HG LEU 96 + HB3 GLU 97 OK 59 59 100 100 4.6-6.0 11461/1.8=59, ~11451=53...(46) HG13 ILE 32 + HB2 GLN 68 OK 25 64 40 97 3.5-10.5 11015/3.0=57...(12) QB ALA 34 - HB2 GLN 68 far 14 91 15 - 4.9-12.8 HG3 LYS 31 - HB2 GLN 68 far 6 60 10 - 3.6-15.8 HG2 LYS 31 - HB2 GLN 68 far 6 57 10 - 4.8-15.9 HG2 LYS 26 - HB3 GLU 102 far 4 78 5 - 5.4-29.6 HG2 LYS 95 - HB3 GLU 128 far 3 63 5 - 5.9-10.4 QB ALA 109 - HB3 GLU 102 far 3 56 5 - 6.2-14.0 HG2 LYS 26 - HB2 GLN 68 far 0 77 0 - 7.9-21.5 HG LEU 96 - HB3 GLU 128 far 0 87 0 - 7.9-10.7 HG2 LYS 26 - HB3 GLU 97 far 0 60 0 - 8.2-27.2 HG2 LYS 95 - HB3 GLU 97 far 0 40 0 - 8.5-10.1 HG13 ILE 32 - HB3 GLU 97 far 0 50 0 - 8.5-20.1 QB ALA 109 - HB2 GLN 68 far 0 55 0 - 8.6-19.5 QB ALA 92 - HB3 GLU 97 far 0 65 0 - 8.8-10.2 HG3 LYS 31 - HB3 GLU 97 far 0 46 0 - 9.2-24.6 QB ALA 16 - HB3 GLU 102 far 0 87 0 - 9.2-37.4 HG LEU 96 - HB2 GLN 68 far 0 75 0 - 9.4-13.5 QB ALA 109 - HB3 GLU 97 far 0 42 0 - 9.7-17.0 HG LEU 96 - HB3 GLU 102 far 0 77 0 - 9.9-12.4 HG2 LYS 31 - HB3 GLU 97 far 0 44 0 - 9.9-25.5 Violated in 0 structures by 0.00 A. Peak 10446 from cnoeabs.peaks (1.43, 2.37, 34.22 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.60: QB ALA 92 + HG2 GLU 128 OK 60 100 60 100 1.9-6.7 11399=80, 10447/1.8=74...(19) HG13 ILE 32 - HG2 GLN 104 far 0 77 0 - 7.9-19.6 HG2 LYS 26 - HG2 GLN 104 far 0 82 0 - 7.9-23.8 Violated in 12 structures by 0.97 A. Peak 10447 from cnoeabs.peaks (1.44, 2.42, 34.22 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.79: QB ALA 92 + HG3 GLU 128 OK 79 99 80 99 2.3-6.3 10446/1.8=73, 9949=50...(17) Violated in 12 structures by 0.80 A. Peak 10448 from cnoeabs.peaks (2.81, 2.22, 28.41 ppm; 6.80 A): 2 out of 8 assignments used, quality = 0.95: HB3 ASP 71 + HB2 GLN 68 OK 92 92 100 100 4.9-8.1 2129/3.0=100, ~2128=91...(19) HB3 ASP 64 + HB2 GLN 68 OK 39 87 100 45 4.8-7.1 11024/3.0=18...(5) HB3 ASP 71 - HB3 GLU 97 far 4 75 5 - 7.9-10.5 HB2 ASN 121 - HB3 GLU 102 far 0 85 0 - 8.5-11.4 HB2 ASN 121 - HB3 GLU 128 far 0 95 0 - 8.6-12.4 HB3 ASN 120 - HB3 GLU 128 far 0 97 0 - 9.0-14.8 HB2 ASN 121 - HB3 GLU 97 far 0 66 0 - 9.1-12.7 HB3 ASN 85 - HB3 GLU 128 far 0 97 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 10449 from cnoeabs.peaks (2.87, 2.42, 34.22 ppm; 5.62 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASP 131 + HG3 GLU 128 OK 100 100 100 100 3.4-6.1 1.8/10450=93...(15) HE2 LYS 95 - HG3 GLU 128 far 5 95 5 - 5.8-13.7 HE3 LYS 95 - HG3 GLU 128 far 5 95 5 - 6.9-12.8 Violated in 6 structures by 0.09 A. Peak 10450 from cnoeabs.peaks (2.77, 2.42, 34.22 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASP 131 + HG3 GLU 128 OK 100 100 100 100 3.8-6.1 1.8/10449=93...(13) HB2 CYS 73 - HG3 GLU 128 far 0 85 0 - 7.5-12.7 Violated in 9 structures by 0.22 A. Peak 10452 from cnoeabs.peaks (3.47, 2.37, 34.22 ppm; 5.63 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 129 + HG2 GLU 128 OK 100 100 100 100 3.3-6.6 2.9/4109=87...(27) HA VAL 77 - HG2 GLU 128 far 0 85 0 - 10.0-15.3 Violated in 12 structures by 0.42 A. Peak 10453 from cnoeabs.peaks (8.27, 0.64, 14.39 ppm; 4.08 A): 2 out of 9 assignments used, quality = 1.00: H LEU 96 + QD1 ILE 129 OK 100 100 100 100 3.4-4.9 9982=75, 7311/10461=49...(27) H VAL 126 + QD1 ILE 129 OK 85 85 100 100 3.2-3.9 2.9/11639=69...(44) H ASP 131 - QD1 ILE 129 far 15 100 15 - 5.0-6.1 H LEU 69 - QD1 ILE 129 far 0 65 0 - 6.8-9.5 H LEU 123 - QD1 ILE 129 far 0 96 0 - 7.1-7.9 H SER 99 - QD1 ILE 129 far 0 83 0 - 7.3-8.6 H LEU 43 - QD1 ILE 129 far 0 90 0 - 8.2-10.0 H ALA 29 - QD1 ILE 129 far 0 76 0 - 8.3-17.5 H GLU 30 - QD1 ILE 129 far 0 98 0 - 9.6-17.0 Violated in 0 structures by 0.00 A. Peak 10454 from cnoeabs.peaks (8.46, 0.64, 14.39 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.79: H VAL 93 + QD1 ILE 129 OK 71 71 100 100 2.3-3.9 2.9/10461=78...(22) H LEU 70 + QD1 ILE 129 OK 29 99 30 97 5.3-8.0 2.9/11709=64...(12) H VAL 132 - QD1 ILE 129 far 9 95 10 - 5.4-6.5 H LEU 100 - QD1 ILE 129 far 0 63 0 - 7.2-8.4 H ASP 47 - QD1 ILE 129 far 0 100 0 - 8.0-10.0 H ALA 34 - QD1 ILE 129 far 0 63 0 - 9.1-17.2 Violated in 0 structures by 0.00 A. Peak 10455 from cnoeabs.peaks (7.84, 0.64, 14.39 ppm; 5.36 A): 1 out of 4 assignments used, quality = 0.81: H ALA 92 + QD1 ILE 129 OK 81 81 100 100 3.3-4.7 3.0/10491=98...(33) H ALA 88 - QD1 ILE 129 far 0 89 0 - 7.3-9.1 H GLN 68 - QD1 ILE 129 far 0 76 0 - 8.7-11.1 H GLU 102 - QD1 ILE 129 far 0 97 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10456 from cnoeabs.peaks (7.40, 0.64, 14.39 ppm; 5.23 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 89 + QD1 ILE 129 OK 100 100 100 100 3.5-5.3 11424/10487=82...(23) HE22 GLN 101 - QD1 ILE 129 far 0 83 0 - 9.9-12.0 Violated in 1 structures by 0.00 A. Peak 10457 from cnoeabs.peaks (7.40, 0.82, 16.92 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: QE PHE 89 + QG2 ILE 129 OK 100 100 100 100 2.0-2.6 11891/10486=48...(33) QE PHE 89 + QG2 ILE 80 OK 23 69 35 96 2.2-6.4 9749/3.1=46, ~9747=29...(27) Violated in 0 structures by 0.00 A. Peak 10458 from cnoeabs.peaks (7.41, 3.46, 66.06 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 89 + HA ILE 129 OK 97 97 100 100 4.4-5.3 2.2/10459=88...(24) Violated in 0 structures by 0.00 A. Peak 10459 from cnoeabs.peaks (7.07, 3.46, 66.06 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 89 + HA ILE 129 OK 100 100 100 100 3.2-4.5 2.2/10458=64...(25) HE ARG 135 - HA ILE 129 far 0 90 0 - 7.0-11.1 Violated in 0 structures by 0.00 A. Peak 10461 from cnoeabs.peaks (3.25, 0.64, 14.39 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: HA VAL 93 + QD1 ILE 129 OK 100 100 100 100 1.7-3.6 9966=91, 3.2/10487=65...(48) HB2 PHE 87 - QD1 ILE 129 far 0 73 0 - 9.0-10.8 HD3 ARG 135 - QD1 ILE 129 far 0 83 0 - 9.5-11.5 HB3 PHE 87 - QD1 ILE 129 far 0 83 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 10462 from cnoeabs.peaks (2.92, 0.64, 14.39 ppm; 5.81 A): 1 out of 3 assignments used, quality = 0.96: HG CYS 73 + QD1 ILE 129 OK 96 96 100 100 2.1-6.1 9958/10487=76...(21) HB2 CYS 45 - QD1 ILE 129 far 0 87 0 - 7.6-10.8 HD2 ARG 135 - QD1 ILE 129 far 0 93 0 - 9.0-12.2 Violated in 1 structures by 0.01 A. Peak 10463 from cnoeabs.peaks (2.75, 0.64, 14.39 ppm; 4.83 A): 2 out of 6 assignments used, quality = 1.00: HB2 CYS 73 + QD1 ILE 129 OK 100 100 100 100 1.9-5.2 9959/10487=65...(27) HB2 CYS 125 + QD1 ILE 129 OK 98 98 100 100 2.6-3.9 10383=97, 1.8/10388=85...(26) HB2 TYR 76 - QD1 ILE 129 far 9 93 10 - 5.9-9.7 HB2 ASP 131 - QD1 ILE 129 far 3 65 5 - 6.2-8.0 HB2 ASP 47 - QD1 ILE 129 far 0 60 0 - 9.0-12.3 HB3 ASP 78 - QD1 ILE 129 far 0 99 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 10468 from cnoeabs.peaks (4.07, 0.64, 14.39 ppm; 4.43 A): 4 out of 7 assignments used, quality = 0.99: HA PHE 89 + QD1 ILE 129 OK 88 89 100 99 3.3-5.2 2897/10491=68...(24) HA ALA 92 + QD1 ILE 129 OK 81 81 100 100 3.4-4.3 2.1/10491=96...(39) HA LEU 96 + QD1 ILE 129 OK 65 65 100 99 3.7-5.8 2.9/9982=63...(30) HA LEU 122 + QD1 ILE 129 OK 34 85 60 66 4.9-6.4 3865/10388=17...(13) HB2 SER 74 - QD1 ILE 129 poor 15 100 30 49 5.6-8.1 9954/10487=17...(10) HB3 SER 74 - QD1 ILE 129 far 10 100 10 - 5.8-9.3 HB THR 65 - QD1 ILE 129 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 10477 from cnoeabs.peaks (1.16, 3.46, 66.06 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.78: QG2 VAL 132 + HA ILE 129 OK 78 78 100 99 1.7-2.8 2.1/4126=58, 4.0/7909=36...(39) QG2 VAL 77 - HA ILE 129 far 0 81 0 - 5.6-7.2 HG2 LYS 39 - HA ILE 129 far 0 68 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 10478 from cnoeabs.peaks (1.43, 3.46, 66.06 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 92 + HA ILE 129 OK 100 100 100 100 2.8-3.8 9946/3.2=71...(27) HG LEU 96 - HA ILE 129 far 0 60 0 - 7.6-10.1 HG2 LYS 86 - HA ILE 129 far 0 99 0 - 9.0-11.4 QB ALA 34 - HA ILE 129 far 0 99 0 - 9.4-17.4 Violated in 0 structures by 0.00 A. Peak 10479 from cnoeabs.peaks (1.06, 3.46, 66.06 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.22: QG2 VAL 133 + HA ILE 129 OK 22 73 30 100 5.3-6.9 2.1/4120=45...(29) QG1 VAL 77 - HA ILE 129 far 0 100 0 - 7.7-9.4 Violated in 20 structures by 1.53 A. Peak 10481 from cnoeabs.peaks (1.42, 0.82, 16.92 ppm; 4.19 A): 2 out of 9 assignments used, quality = 1.00: QB ALA 92 + QG2 ILE 129 OK 100 100 100 100 3.1-4.2 9946=97, 10491/4163=82...(41) HG2 LYS 86 + QG2 ILE 80 OK 69 69 100 100 1.9-4.5 9720/3.1=62, 9713/2.1=47...(48) HG LEU 96 - QG2 ILE 129 poor 13 65 20 - 5.3-7.4 QB ALA 34 - QG2 ILE 80 far 3 68 5 - 5.5-15.4 QB ALA 34 - QG2 ILE 129 far 0 99 0 - 5.9-12.6 QB ALA 92 - QG2 ILE 80 far 0 68 0 - 6.3-8.7 HG2 LYS 86 - QG2 ILE 129 far 0 100 0 - 6.5-8.4 HG13 ILE 32 - QG2 ILE 129 far 0 93 0 - 9.6-16.0 HG LEU 96 - QG2 ILE 80 far 0 38 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 10482 from cnoeabs.peaks (1.02, 0.82, 16.92 ppm; 3.20 A): 3 out of 4 assignments used, quality = 0.90: QG2 VAL 133 + QG2 ILE 129 OK 68 92 75 98 3.8-5.1 10587/10486=40...(36) QD1 LEU 69 + QG2 ILE 129 OK 62 89 75 93 2.9-6.0 11039/10486=36...(20) QG2 VAL 133 + QG2 ILE 80 OK 22 58 40 96 3.6-7.7 10588/3.1=35...(41) QD1 LEU 69 - QG2 ILE 80 far 0 55 0 - 6.4-11.3 Violated in 17 structures by 0.35 A. Peak 10483 from cnoeabs.peaks (1.43, 0.75, 30.23 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 92 + HG12 ILE 129 OK 100 100 100 100 1.6-2.9 10491/2.1=99...(27) HG2 LYS 86 - HG12 ILE 129 far 0 99 0 - 8.7-11.4 QB ALA 34 - HG12 ILE 129 far 0 97 0 - 10.0-17.7 Violated in 0 structures by 0.00 A. Peak 10485 from cnoeabs.peaks (0.27, 3.46, 66.06 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.97: QG2 VAL 93 + HA ILE 129 OK 87 92 95 100 4.0-7.3 10487/4123=67...(37) QD1 ILE 80 + HA ILE 129 OK 79 100 80 100 4.9-9.1 9747/10459=56...(31) Violated in 2 structures by 0.01 A. Peak 10486 from cnoeabs.peaks (0.56, 0.82, 16.92 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 42 + QG2 ILE 129 OK 99 100 100 99 1.7-4.6 9081=46, 9177/11245=40...(34) QD2 LEU 42 - QG2 ILE 80 poor 17 69 25 - 3.5-8.3 Violated in 6 structures by 0.13 A. Peak 10487 from cnoeabs.peaks (0.29, 0.64, 14.39 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QD1 ILE 129 OK 100 100 100 100 1.7-3.9 9967=70, 2919/10461=46...(61) QD1 ILE 80 - QD1 ILE 129 far 0 71 0 - 5.4-8.9 Violated in 2 structures by 0.05 A. Peak 10488 from cnoeabs.peaks (0.28, 1.74, 30.23 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG13 ILE 129 OK 100 100 100 100 1.8-5.1 10487/2.1=98...(36) QD1 ILE 80 + HG13 ILE 129 OK 83 90 95 97 4.7-9.7 10586/11768=51...(18) Violated in 0 structures by 0.00 A. Peak 10489 from cnoeabs.peaks (0.96, 0.64, 14.39 ppm; 3.46 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 126 + QD1 ILE 129 OK 100 100 100 100 2.7-4.3 11692=63, 3.2/11639=47...(35) QG1 VAL 126 + QD1 ILE 129 OK 98 99 100 100 3.0-4.7 2.1/11692=50...(38) QG2 ILE 37 - QD1 ILE 129 far 0 60 0 - 6.4-10.6 QD2 LEU 53 - QD1 ILE 129 far 0 100 0 - 7.1-10.2 QD1 LEU 119 - QD1 ILE 129 far 0 76 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 10490 from cnoeabs.peaks (1.14, 0.64, 14.39 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 129 OK 100 100 100 100 3.7-5.1 11737=99, 9947/10491=47...(35) QG1 VAL 132 + QD1 ILE 129 OK 75 100 75 100 4.8-6.8 2.1/11737=91...(32) HG2 LYS 39 - QD1 ILE 129 far 0 100 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 10491 from cnoeabs.peaks (1.43, 0.64, 14.39 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 92 + QD1 ILE 129 OK 100 100 100 100 1.7-2.7 9944=89, 11317/2.1=50...(35) QB ALA 34 - QD1 ILE 129 far 0 98 0 - 7.1-14.6 HG2 LYS 86 - QD1 ILE 129 far 0 99 0 - 8.6-11.1 HG13 ILE 32 - QD1 ILE 129 far 0 97 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 10492 from cnoeabs.peaks (2.24, 0.64, 14.39 ppm; 4.14 A): 2 out of 8 assignments used, quality = 1.00: HB3 LEU 96 + QD1 ILE 129 OK 98 98 100 100 1.9-4.6 3.8/9982=47, 11354=37...(42) HB3 GLU 128 + QD1 ILE 129 OK 81 83 100 98 3.6-5.3 4.5/7873=45, ~11696=39...(25) HG2 GLU 91 - QD1 ILE 129 far 13 87 15 - 5.2-8.3 HB3 GLN 127 - QD1 ILE 129 far 4 85 5 - 5.1-7.2 HG2 GLU 97 - QD1 ILE 129 far 0 68 0 - 5.8-7.4 HB3 GLU 97 - QD1 ILE 129 far 0 60 0 - 7.4-8.4 HG2 GLN 68 - QD1 ILE 129 far 0 93 0 - 7.9-12.0 HB2 GLN 68 - QD1 ILE 129 far 0 68 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 10494 from cnoeabs.peaks (7.13, 3.77, 62.61 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.29: HE22 GLN 134 + HB3 SER 130 OK 29 99 30 98 3.4-9.0 10630/10509=85...(9) QD TYR 72 - HB3 SER 130 far 4 73 5 - 6.9-10.2 Violated in 19 structures by 2.01 A. Peak 10495 from cnoeabs.peaks (6.89, 3.77, 62.61 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.65: HE21 GLN 134 + HB3 SER 130 OK 65 100 65 100 3.3-8.9 1.7/10494=99...(7) Violated in 14 structures by 0.94 A. Peak 10496 from cnoeabs.peaks (8.47, 3.77, 62.61 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: H VAL 132 + HB3 SER 130 OK 100 100 100 100 5.0-5.7 7910/3.9=92, ~4180=70...(19) H ASP 47 + HB3 SER 130 OK 90 90 100 100 3.9-6.8 3.7/10508=97...(14) H LEU 70 - HB3 SER 130 far 0 99 0 - 8.6-12.3 Violated in 0 structures by 0.00 A. Peak 10503 from cnoeabs.peaks (2.02, 3.82, 62.61 ppm; 5.61 A): 1 out of 9 assignments used, quality = 0.75: HB ILE 129 + HB2 SER 130 OK 75 76 100 99 3.9-5.1 4.6/7889=78...(15) HB ILE 129 - HB2 SER 50 far 0 48 0 - 7.5-11.2 HB2 GLN 134 - HB2 SER 130 far 0 100 0 - 7.7-9.1 HB2 GLU 44 - HB2 SER 130 far 0 100 0 - 8.0-9.1 HG3 ARG 135 - HB2 SER 130 far 0 99 0 - 8.8-12.2 HB3 GLU 55 - HB2 SER 50 far 0 60 0 - 9.1-12.9 HG3 PRO 81 - HB2 SER 130 far 0 68 0 - 9.7-14.1 HB3 GLU 40 - HB2 SER 130 far 0 97 0 - 10.0-12.9 HB2 GLU 44 - HB2 SER 50 far 0 72 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 10507 from cnoeabs.peaks (2.05, 3.77, 62.61 ppm; 6.47 A): 2 out of 9 assignments used, quality = 1.00: HB2 GLN 127 + HB3 SER 130 OK 100 100 100 100 4.8-6.9 3.0/4181=100, ~4175=49...(19) HG3 GLN 134 + HB3 SER 130 OK 65 65 100 99 4.4-6.3 3.5/10494=81...(19) HB2 GLU 128 - HB3 SER 130 lone 8 68 60 19 7.0-8.6 10517/10520=7...(4) HB3 LYS 39 - HB3 SER 130 far 7 73 10 - 7.1-13.2 HG3 ARG 135 - HB3 SER 130 far 4 78 5 - 7.9-11.2 HB3 GLU 44 - HB3 SER 130 far 4 76 5 - 7.2-9.9 HG3 PRO 81 - HB3 SER 130 far 0 100 0 - 9.1-13.8 HB3 GLU 40 - HB3 SER 130 far 0 85 0 - 9.2-13.0 HB3 GLN 27 - HB3 SER 130 far 0 99 0 - 9.4-26.7 Violated in 0 structures by 0.00 A. Peak 10508 from cnoeabs.peaks (1.33, 3.77, 62.61 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 46 + HB3 SER 130 OK 99 99 100 100 1.7-3.5 9176/10509=82...(22) Violated in 0 structures by 0.00 A. Peak 10509 from cnoeabs.peaks (0.76, 3.77, 62.61 ppm; 4.41 A): 1 out of 8 assignments used, quality = 1.00: QD2 LEU 43 + HB3 SER 130 OK 100 100 100 100 1.7-5.4 11720/1.8=90...(39) QD2 LEU 96 - HB3 SER 130 far 0 97 0 - 6.2-10.9 HG12 ILE 129 - HB3 SER 130 far 0 97 0 - 6.5-8.4 QD1 ILE 37 - HB3 SER 130 far 0 85 0 - 6.9-13.3 QD1 LEU 96 - HB3 SER 130 far 0 96 0 - 7.5-10.5 QD1 ILE 32 - HB3 SER 130 far 0 89 0 - 8.0-15.9 QD2 LEU 122 - HB3 SER 130 far 0 65 0 - 8.1-12.4 QG1 VAL 93 - HB3 SER 130 far 0 97 0 - 8.8-10.9 Violated in 4 structures by 0.06 A. Peak 10514 from cnoeabs.peaks (2.07, 2.77, 40.87 ppm; 6.51 A): 4 out of 8 assignments used, quality = 1.00: HB2 GLU 128 + HB2 ASP 131 OK 97 97 100 100 4.8-5.8 3.0/4195=100...(17) HG3 GLN 134 + HB2 ASP 131 OK 96 96 100 100 4.7-6.3 ~4194=70, ~4194=70...(18) HB2 GLN 127 + HB2 ASP 131 OK 74 95 100 78 4.5-7.5 4079/4195=37...(10) HB3 LYS 39 + HB2 TYR 76 OK 53 73 85 85 4.7-9.2 9037/4.5=69, ~10848=30...(4) HG3 PRO 81 - HB2 TYR 76 far 0 61 0 - 8.1-11.2 HG3 GLN 134 - HB2 TYR 76 far 0 70 0 - 8.8-14.8 HG3 PRO 81 - HB2 ASP 131 far 0 87 0 - 9.0-13.4 HB3 LYS 39 - HB2 ASP 131 far 0 98 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 10515 from cnoeabs.peaks (2.39, 2.87, 40.87 ppm; 5.42 A): 2 out of 2 assignments used, quality = 0.93: HG2 GLU 128 + HB3 ASP 131 OK 81 81 100 100 4.3-6.6 1.8/10449=94...(15) HG3 GLU 128 + HB3 ASP 131 OK 63 63 100 100 3.4-6.1 3.9/4086=84, 10449=49...(13) Violated in 1 structures by 0.00 A. Peak 10516 from cnoeabs.peaks (2.26, 2.87, 40.87 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.43: HB VAL 132 + HB3 ASP 131 OK 43 78 55 100 5.5-6.9 3.8/7915=74...(17) Violated in 20 structures by 1.20 A. Peak 10517 from cnoeabs.peaks (2.06, 2.87, 40.87 ppm; 5.79 A): 4 out of 6 assignments used, quality = 0.99: HB2 GLU 128 + HB3 ASP 131 OK 85 85 100 100 4.6-5.9 3.0/4086=97...(15) HG3 GLN 134 + HB3 ASP 131 OK 83 83 100 100 4.5-6.5 ~4194=57, ~4194=57...(14) HB2 GLN 127 + HB3 ASP 131 OK 60 100 100 61 4.7-7.1 4079/4086=26, ~11730=18...(8) HG3 ARG 135 + HB3 ASP 131 OK 45 60 95 79 5.0-7.6 10525/7915=34...(7) HG3 PRO 81 - HB3 ASP 131 far 0 97 0 - 8.4-13.5 HB3 LYS 39 - HB3 ASP 131 far 0 89 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 10518 from cnoeabs.peaks (1.12, 2.87, 40.87 ppm; 4.32 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 132 + HB3 ASP 131 OK 99 99 100 100 3.1-5.0 2.1/10516=67...(26) QG2 VAL 132 + HB3 ASP 131 OK 89 93 95 100 2.9-5.9 2.1/10516=67...(27) HG2 LYS 39 - HB3 ASP 131 far 0 97 0 - 8.2-14.1 Violated in 0 structures by 0.00 A. Peak 10519 from cnoeabs.peaks (3.51, 2.87, 40.87 ppm; 6.49 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 132 + HB3 ASP 131 OK 99 99 100 100 4.0-5.5 3.0/7915=100...(15) Violated in 0 structures by 0.00 A. Peak 10520 from cnoeabs.peaks (3.79, 2.87, 40.87 ppm; 5.74 A): 3 out of 5 assignments used, quality = 0.99: HA SER 130 + HB3 ASP 131 OK 93 93 100 100 5.5-6.1 3.6/7904=96...(15) HB3 SER 130 + HB3 ASP 131 OK 78 78 100 99 4.2-6.8 4.6/7904=85...(13) HB2 SER 130 + HB3 ASP 131 OK 67 68 100 98 4.7-6.8 4.6/7904=85...(9) HA LEU 43 - HB3 ASP 131 poor 12 92 30 44 6.4-9.2 1339/3.8=24...(5) HA VAL 133 - HB3 ASP 131 far 0 60 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 10526 from cnoeabs.peaks (2.03, 3.52, 66.53 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: HG3 ARG 135 + HA VAL 132 OK 100 100 100 100 1.8-4.5 11783=99, 1.8/10527=79...(30) HB2 GLN 134 + HA VAL 132 OK 25 95 30 87 4.9-7.3 4.4/10624=48...(9) HG3 PRO 81 - HA VAL 132 poor 17 87 20 - 4.7-8.8 HB2 GLN 127 - HA VAL 132 far 0 76 0 - 9.6-10.9 Violated in 1 structures by 0.01 A. Peak 10527 from cnoeabs.peaks (1.71, 3.52, 66.53 ppm; 4.45 A): 1 out of 5 assignments used, quality = 1.00: HG2 ARG 135 + HA VAL 132 OK 100 100 100 100 1.9-3.8 10019=97, 1.8/11783=85...(29) HB ILE 80 - HA VAL 132 far 0 68 0 - 7.2-10.8 HD3 LYS 39 - HA VAL 132 far 0 100 0 - 8.2-15.5 HB2 LEU 43 - HA VAL 132 far 0 90 0 - 8.5-11.2 HG3 ARG 90 - HA VAL 132 far 0 81 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 10528 from cnoeabs.peaks (2.77, 3.52, 66.53 ppm; 5.97 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASP 131 + HA VAL 132 OK 100 100 100 100 4.0-5.6 7914/3.0=99, ~7915=82...(19) HB2 CYS 73 - HA VAL 132 far 0 78 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 10529 from cnoeabs.peaks (2.93, 3.52, 66.53 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.99: HD2 ARG 135 + HA VAL 132 OK 99 99 100 100 1.9-4.7 10636=90, 1.8/10530=76...(29) HE3 LYS 39 - HA VAL 132 far 0 100 0 - 7.5-14.6 HE2 LYS 39 - HA VAL 132 far 0 100 0 - 8.0-13.3 Violated in 1 structures by 0.02 A. Peak 10530 from cnoeabs.peaks (3.24, 3.52, 66.53 ppm; 4.69 A): 1 out of 4 assignments used, quality = 0.97: HD3 ARG 135 + HA VAL 132 OK 97 97 100 100 1.8-4.3 10635=96, 1.8/10529=90...(29) HB3 HIS 4 - HA VAL 132 far 0 96 0 - 6.5-73.0 HB2 PHE 87 - HA VAL 132 far 0 93 0 - 8.5-12.3 HB3 PHE 87 - HA VAL 132 far 0 97 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 10531 from cnoeabs.peaks (0.81, 1.13, 22.77 ppm; 3.38 A): 4 out of 18 assignments used, quality = 0.96: QG2 ILE 129 + QG1 VAL 132 OK 79 95 85 98 3.5-5.1 9862/10533=27, ~11737=23...(41) QG1 VAL 133 + QG1 VAL 132 OK 55 63 90 97 3.7-5.0 ~11764=31, ~11669=29...(40) QG2 ILE 129 + QG2 VAL 132 OK 46 46 100 98 2.1-3.4 3.0/10490=34...(44) QG1 VAL 133 + QG2 VAL 132 OK 26 27 100 97 1.9-3.8 ~11764=31, ~11669=29...(41) QG2 ILE 80 - QG2 VAL 132 poor 16 52 30 - 2.9-6.9 HG13 ILE 80 - QG2 VAL 132 poor 16 44 35 - 4.2-7.5 QG2 ILE 80 - QG1 VAL 132 far 5 100 5 - 4.7-7.1 HG13 ILE 80 - QG1 VAL 132 far 0 92 0 - 4.9-9.5 QD2 LEU 49 - QG2 VAL 132 far 0 47 0 - 7.9-10.1 QD1 LEU 53 - QG1 VAL 132 far 0 92 0 - 8.1-12.7 QD2 LEU 122 - QG2 VAL 132 far 0 35 0 - 8.2-11.6 QD1 LEU 70 - QG2 VAL 132 far 0 49 0 - 8.4-10.8 QD1 LEU 122 - QG2 VAL 132 far 0 53 0 - 8.6-11.2 QD1 LEU 70 - QG1 VAL 132 far 0 97 0 - 8.7-12.2 QD2 LEU 122 - QG1 VAL 132 far 0 78 0 - 8.8-13.4 QD1 LEU 53 - QG2 VAL 132 far 0 44 0 - 9.1-12.3 QD2 LEU 49 - QG1 VAL 132 far 0 96 0 - 9.2-10.9 QD1 LEU 122 - QG1 VAL 132 far 0 100 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 10532 from cnoeabs.peaks (0.81, 2.28, 31.51 ppm; 5.59 A): 5 out of 11 assignments used, quality = 1.00: QG2 ILE 80 + HB VAL 132 OK 97 100 100 98 4.4-6.6 3.1/9722=40, ~11738=34...(19) QG2 ILE 129 + HB VAL 132 OK 95 95 100 100 3.5-5.8 3.2/4126=84, ~11737=66...(21) HG13 ILE 80 + HB VAL 132 OK 66 92 75 96 3.9-9.7 2.1/9722=44, ~11738=41...(19) QG1 VAL 133 + HB VAL 132 OK 63 63 100 100 3.1-4.8 2.1/11764=94...(26) QD2 LEU 119 + HB3 PRO 113 OK 24 70 40 84 2.9-10.3 10161/7593=34, ~11506=30...(8) QD1 LEU 103 - HB3 PRO 113 poor 10 41 25 - 2.4-10.3 QD1 LEU 122 - HB3 PRO 113 far 4 73 5 - 5.8-14.8 QG1 VAL 63 - HB3 PRO 113 far 2 43 5 - 7.1-14.0 QD1 LEU 53 - HB3 PRO 113 far 0 62 0 - 7.3-16.4 QD2 LEU 122 - HB3 PRO 113 far 0 50 0 - 7.4-15.0 QD2 LEU 49 - HB3 PRO 113 far 0 66 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 10533 from cnoeabs.peaks (1.66, 1.13, 22.77 ppm; 3.06 A): 2 out of 19 assignments used, quality = 0.99: QB ALA 88 + QG1 VAL 132 OK 98 100 100 98 1.8-3.4 9861=50, 9861/2.1=33...(30) QB ALA 88 + QG2 VAL 132 OK 52 54 100 97 2.6-4.0 9861=50, 9861/2.1=33...(32) HG3 ARG 84 - QG1 VAL 132 poor 15 73 20 - 3.6-8.4 HG2 ARG 84 - QG1 VAL 132 far 4 73 5 - 4.5-9.0 HG3 ARG 84 - QG2 VAL 132 far 0 33 0 - 5.6-8.7 HG2 ARG 84 - QG2 VAL 132 far 0 33 0 - 5.7-9.3 HD2 LYS 95 - QG2 VAL 132 far 0 51 0 - 6.7-12.2 HG LEU 43 - QG2 VAL 132 far 0 41 0 - 6.9-9.7 HD3 LYS 95 - QG2 VAL 132 far 0 53 0 - 7.1-11.6 HD3 LYS 86 - QG1 VAL 132 far 0 100 0 - 7.3-10.7 HD3 LYS 86 - QG2 VAL 132 far 0 53 0 - 7.4-10.7 HG LEU 43 - QG1 VAL 132 far 0 87 0 - 7.8-10.9 HD2 LYS 86 - QG2 VAL 132 far 0 53 0 - 7.8-10.4 HD2 LYS 86 - QG1 VAL 132 far 0 100 0 - 7.8-10.6 HD2 LYS 39 - QG2 VAL 132 far 0 42 0 - 8.3-13.4 HD2 LYS 39 - QG1 VAL 132 far 0 89 0 - 8.4-14.1 HD2 LYS 95 - QG1 VAL 132 far 0 99 0 - 8.5-12.6 HD3 LYS 95 - QG1 VAL 132 far 0 100 0 - 8.6-12.8 HB2 LEU 69 - QG2 VAL 132 far 0 51 0 - 8.9-11.2 Violated in 1 structures by 0.00 A. Peak 10534 from cnoeabs.peaks (2.04, 1.13, 22.77 ppm; 4.32 A): 2 out of 12 assignments used, quality = 0.99: HG3 ARG 135 + QG1 VAL 132 OK 98 98 100 100 2.7-4.4 11783/3.2=62...(47) HG3 ARG 135 + QG2 VAL 132 OK 48 50 95 100 4.1-6.4 11783/3.2=62, ~10527=41...(47) HG3 PRO 81 - QG2 VAL 132 poor 20 49 40 - 4.6-8.9 HG3 PRO 81 - QG1 VAL 132 far 15 97 15 - 5.3-8.3 HB2 GLN 134 - QG1 VAL 132 far 0 81 0 - 6.2-7.9 HG2 ARG 90 - QG2 VAL 132 far 0 39 0 - 6.3-8.7 HB2 GLN 134 - QG2 VAL 132 far 0 37 0 - 6.4-7.6 HG2 ARG 90 - QG1 VAL 132 far 0 85 0 - 6.8-9.1 HB3 GLU 91 - QG1 VAL 132 far 0 98 0 - 6.9-9.0 HB3 GLU 91 - QG2 VAL 132 far 0 50 0 - 6.9-8.7 HB2 GLN 127 - QG2 VAL 132 far 0 44 0 - 6.9-8.6 HB2 GLN 127 - QG1 VAL 132 far 0 92 0 - 7.1-9.9 Violated in 1 structures by 0.00 A. Peak 10535 from cnoeabs.peaks (2.71, 1.13, 22.77 ppm; 4.45 A): 2 out of 6 assignments used, quality = 0.95: HB2 ASN 85 + QG1 VAL 132 OK 92 92 100 100 1.8-5.3 3.6/10545=60...(25) HB2 ASN 85 + QG2 VAL 132 OK 44 44 100 100 2.4-5.1 9790=42, 1.8/9794=37...(25) HB2 CYS 125 - QG2 VAL 132 far 0 28 0 - 7.0-9.5 HB2 CYS 125 - QG1 VAL 132 far 0 65 0 - 7.4-10.1 HB2 ASP 47 - QG2 VAL 132 far 0 51 0 - 8.5-13.4 HB2 ASP 47 - QG1 VAL 132 far 0 99 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 10536 from cnoeabs.peaks (2.89, 1.13, 22.77 ppm; 4.90 A): 2 out of 6 assignments used, quality = 0.73: HB3 ASP 131 + QG1 VAL 132 OK 63 63 100 100 3.1-5.0 7915/4.0=45, ~10528=44...(25) HB3 ASP 131 + QG2 VAL 132 OK 27 27 100 100 2.9-5.9 1.8/11161=54...(23) HE2 LYS 95 - QG2 VAL 132 far 0 45 0 - 8.7-12.1 HE3 LYS 95 - QG2 VAL 132 far 0 45 0 - 8.9-12.6 HE3 LYS 95 - QG1 VAL 132 far 0 93 0 - 9.4-13.6 HE2 LYS 95 - QG1 VAL 132 far 0 93 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 10537 from cnoeabs.peaks (3.30, 1.13, 22.77 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.76: HB2 PHE 89 + QG1 VAL 132 OK 58 97 60 99 3.0-6.5 3.0/10539=37...(31) HB2 PHE 89 + QG2 VAL 132 OK 43 48 90 99 1.9-5.8 9875=30, ~11943=28...(31) HB3 CYS 73 - QG2 VAL 132 far 0 41 0 - 5.3-8.6 HB3 CYS 73 - QG1 VAL 132 far 0 87 0 - 7.2-10.0 Violated in 10 structures by 0.23 A. Peak 10538 from cnoeabs.peaks (3.78, 1.13, 22.77 ppm; 5.21 A): 6 out of 10 assignments used, quality = 1.00: HA SER 130 + QG1 VAL 132 OK 96 100 100 96 4.9-6.7 4173/4.2=50...(17) HA VAL 133 + QG1 VAL 132 OK 96 96 100 100 4.1-5.4 11750/3.2=73, ~7929=63...(42) HA SER 130 + QG2 VAL 132 OK 52 53 100 97 4.0-4.8 4173/4.4=49...(20) HA VAL 133 + QG2 VAL 132 OK 47 47 100 100 3.0-5.2 11750/3.2=73, ~7929=63...(42) HB3 SER 130 + QG2 VAL 132 OK 38 52 100 72 5.4-6.2 10496/4.0=23...(13) HA ARG 90 + QG2 VAL 132 OK 32 44 80 91 5.9-7.9 4.9/9873=31...(15) HB3 SER 130 - QG1 VAL 132 poor 20 100 20 - 5.8-8.1 HA LEU 43 - QG2 VAL 132 far 3 53 5 - 6.5-8.6 HA ARG 90 - QG1 VAL 132 far 0 92 0 - 7.1-8.9 HA LEU 43 - QG1 VAL 132 far 0 100 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 10539 from cnoeabs.peaks (4.10, 1.13, 22.77 ppm; 3.69 A): 2 out of 7 assignments used, quality = 0.98: HA PHE 89 + QG1 VAL 132 OK 96 97 100 100 3.3-4.9 9873=37, 11377/2.1=35...(35) HA PHE 89 + QG2 VAL 132 OK 48 48 100 100 2.0-3.8 9873=38, 11377/2.1=35...(35) HA ILE 80 - QG2 VAL 132 far 0 27 0 - 5.7-9.5 HA ILE 80 - QG1 VAL 132 far 0 63 0 - 6.7-9.3 HA CYS 79 - QG2 VAL 132 far 0 50 0 - 9.1-13.1 HB2 SER 74 - QG2 VAL 132 far 0 26 0 - 9.1-11.4 HB3 SER 74 - QG2 VAL 132 far 0 27 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 10540 from cnoeabs.peaks (4.23, 1.13, 22.77 ppm; 6.80 A): 4 out of 7 assignments used, quality = 0.96: HA ARG 84 + QG1 VAL 132 OK 76 85 90 100 5.6-9.2 3.6/10545=98...(9) HA ALA 88 + QG1 VAL 132 OK 71 71 100 100 4.1-6.0 ~11661=83, ~9857=75...(22) HA ALA 88 + QG2 VAL 132 OK 31 31 100 100 4.7-5.8 ~11661=83, ~9857=75...(23) HA ARG 84 + QG2 VAL 132 OK 24 39 85 73 7.0-8.9 4.9/11322=33...(7) HA SER 124 - QG1 VAL 132 far 14 96 15 - 8.1-11.4 HA SER 124 - QG2 VAL 132 far 0 47 0 - 8.4-10.3 HA SER 94 - QG2 VAL 132 far 0 53 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10541 from cnoeabs.peaks (4.79, 1.13, 22.77 ppm; 4.06 A): 2 out of 2 assignments used, quality = 0.98: HA ASN 85 + QG1 VAL 132 OK 96 97 100 100 1.8-5.5 2.9/10545=59...(25) HA ASN 85 + QG2 VAL 132 OK 48 48 100 99 3.0-5.1 2750/9861=37, ~10545=36...(26) Violated in 1 structures by 0.00 A. Peak 10542 from cnoeabs.peaks (7.29, 3.52, 66.53 ppm; 4.97 A): 2 out of 4 assignments used, quality = 0.94: H ARG 135 + HA VAL 132 OK 90 90 100 100 3.2-3.9 10624=85, 7983/10527=63...(18) H ASN 85 + HA VAL 132 OK 42 73 60 95 5.7-8.8 10545/3.2=66, ~10541=28...(13) HZ PHE 89 - HA VAL 132 far 0 98 0 - 8.7-10.4 QD PHE 87 - HA VAL 132 far 0 81 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 10543 from cnoeabs.peaks (7.05, 3.52, 66.53 ppm; 4.54 A): 2 out of 2 assignments used, quality = 1.00: HE ARG 135 + HA VAL 132 OK 100 100 100 100 2.3-5.9 11868=100, 2.9/10529=72...(21) QD PHE 89 + HA VAL 132 OK 76 96 80 100 4.6-6.7 11943/3.0=58...(23) Violated in 0 structures by 0.00 A. Peak 10544 from cnoeabs.peaks (7.84, 1.13, 22.77 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.98: H ALA 88 + QG1 VAL 132 OK 78 78 100 100 3.5-5.9 3.0/10533=59...(21) H ALA 92 + QG1 VAL 132 OK 71 90 80 98 5.3-7.0 3.0/11658=49...(15) H ALA 92 + QG2 VAL 132 OK 43 43 100 99 4.6-6.1 3.0/9947=46...(18) H ALA 88 + QG2 VAL 132 OK 34 35 95 100 4.5-6.2 3.0/9861=46, ~10533=36...(25) Violated in 0 structures by 0.00 A. Peak 10545 from cnoeabs.peaks (7.28, 1.13, 22.77 ppm; 4.20 A): 1 out of 8 assignments used, quality = 0.66: H ASN 85 + QG1 VAL 132 OK 66 97 70 97 3.9-7.7 2.9/10541=44...(23) HZ PHE 89 - QG2 VAL 132 poor 19 34 55 - 4.7-7.0 HE ARG 84 - QG1 VAL 132 poor 17 68 25 - 4.7-9.6 H ASN 85 - QG2 VAL 132 poor 15 49 30 - 4.9-7.4 HZ PHE 89 - QG1 VAL 132 far 0 76 0 - 6.5-8.3 QE PHE 87 - QG1 VAL 132 far 0 99 0 - 7.2-10.6 HE ARG 84 - QG2 VAL 132 far 0 30 0 - 7.2-10.2 QE PHE 87 - QG2 VAL 132 far 0 51 0 - 8.3-9.9 Violated in 16 structures by 1.02 A. Peak 10546 from cnoeabs.peaks (7.07, 1.13, 22.77 ppm; 3.38 A): 3 out of 4 assignments used, quality = 0.99: HE ARG 135 + QG1 VAL 132 OK 86 96 90 99 2.3-5.9 11875=47, 11868/3.2=41...(27) QD PHE 89 + QG1 VAL 132 OK 84 100 85 99 3.7-5.3 11943/2.1=41...(38) QD PHE 89 + QG2 VAL 132 OK 53 53 100 99 1.8-4.3 11943/2.1=41...(38) HE ARG 135 - QG2 VAL 132 poor 19 47 40 - 3.7-7.6 Violated in 1 structures by 0.00 A. Peak 10547 from cnoeabs.peaks (6.60, 1.13, 22.77 ppm; 4.86 A): 0 out of 0 assignments used, quality = 0.00: Peak 10551 from cnoeabs.peaks (8.68, 1.14, 23.15 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: H PHE 89 + QG2 VAL 132 OK 100 100 100 100 3.0-5.1 9867=52, 9867/2.1=41...(29) H PHE 89 + QG1 VAL 132 OK 53 53 100 100 2.8-5.4 9867=47, 9867/2.1=45...(26) H LYS 39 - QG2 VAL 132 far 0 100 0 - 8.0-13.0 H SER 50 - QG2 VAL 132 far 0 76 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 10552 from cnoeabs.peaks (7.40, 1.04, 23.73 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + QG2 VAL 133 OK 100 100 100 100 3.1-4.1 2.2/10554=60...(25) Violated in 6 structures by 0.07 A. Peak 10553 from cnoeabs.peaks (7.30, 1.04, 23.73 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: H ARG 135 + QG2 VAL 133 OK 99 99 100 100 4.0-4.7 7972/7946=60...(21) HZ PHE 89 + QG2 VAL 133 OK 85 100 85 100 4.4-5.9 2.2/10552=82...(16) Violated in 2 structures by 0.00 A. Peak 10554 from cnoeabs.peaks (7.08, 1.04, 23.73 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.97: QD PHE 89 + QG2 VAL 133 OK 97 97 100 100 3.8-5.1 2.2/10552=82...(20) HE ARG 135 - QG2 VAL 133 far 0 73 0 - 6.2-8.4 Violated in 18 structures by 0.34 A. Peak 10555 from cnoeabs.peaks (6.46, 1.04, 23.73 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.98: QE TYR 76 + QG2 VAL 133 OK 98 98 100 99 1.9-4.9 10558/2.1=67, 9631=49...(27) Violated in 1 structures by 0.06 A. Peak 10556 from cnoeabs.peaks (7.32, 0.84, 22.13 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: H ARG 135 + QG1 VAL 133 OK 100 100 100 100 3.9-5.2 7972/4250=73...(20) HZ PHE 89 + QG1 VAL 133 OK 97 97 100 100 3.2-4.7 2.2/11756=74...(21) QD PHE 87 - QG1 VAL 133 far 0 100 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10557 from cnoeabs.peaks (7.07, 0.84, 22.13 ppm; 5.17 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 89 + QG1 VAL 133 OK 100 100 100 100 1.8-3.4 10554/2.1=95...(22) HE ARG 135 + QG1 VAL 133 OK 39 95 45 92 5.5-8.2 ~10571=42...(10) Violated in 0 structures by 0.00 A. Peak 10558 from cnoeabs.peaks (6.46, 0.84, 22.13 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.93: QE TYR 76 + QG1 VAL 133 OK 93 95 100 99 1.9-4.1 10555/2.1=73...(26) Violated in 8 structures by 0.08 A. Peak 10559 from cnoeabs.peaks (6.47, 3.77, 65.08 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 76 + HA VAL 133 OK 100 100 100 100 2.1-4.8 10555/3.2=83...(22) Violated in 0 structures by 0.00 A. Peak 10560 from cnoeabs.peaks (7.32, 3.77, 65.08 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: H ARG 135 + HA VAL 133 OK 100 100 100 100 3.8-4.2 7972/3.6=89...(13) HZ PHE 89 + HA VAL 133 OK 63 97 65 100 5.9-7.7 10553/3.2=70...(17) Violated in 0 structures by 0.00 A. Peak 10561 from cnoeabs.peaks (6.49, 2.19, 31.57 ppm; 6.71 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 76 + HB VAL 133 OK 95 95 100 100 1.9-3.6 9631/2.1=91...(23) QD TYR 76 + HB VAL 133 OK 89 89 100 100 2.9-5.1 ~10555=97, ~10555=96...(35) Violated in 0 structures by 0.00 A. Peak 10562 from cnoeabs.peaks (8.04, 1.04, 23.73 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.60: H SER 130 + QG2 VAL 133 OK 60 100 60 100 4.3-6.5 2.9/11861=67...(23) H TYR 76 - QG2 VAL 133 far 0 99 0 - 6.1-9.0 H CYS 79 - QG2 VAL 133 far 0 99 0 - 6.2-9.6 H LEU 48 - QG2 VAL 133 far 0 98 0 - 8.3-11.5 Violated in 18 structures by 1.10 A. Peak 10563 from cnoeabs.peaks (8.27, 1.04, 23.73 ppm; 4.55 A): 3 out of 6 assignments used, quality = 1.00: H LEU 43 + QG2 VAL 133 OK 94 95 100 100 3.2-4.9 3.6/10566=64...(24) H GLU 40 + QG2 VAL 133 OK 79 99 85 93 4.1-7.8 4.7/11767=50...(14) H ASP 131 + QG2 VAL 133 OK 65 100 65 100 4.2-6.3 7925/7935=60...(24) H LEU 49 - QG2 VAL 133 far 0 63 0 - 9.3-12.2 H VAL 126 - QG2 VAL 133 far 0 90 0 - 9.7-11.6 H LEU 69 - QG2 VAL 133 far 0 73 0 - 9.8-12.1 Violated in 1 structures by 0.00 A. Peak 10564 from cnoeabs.peaks (8.47, 1.04, 23.73 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: H VAL 132 + QG2 VAL 133 OK 100 100 100 100 4.0-5.6 3.3/7935=86...(29) H ASP 47 - QG2 VAL 133 far 0 87 0 - 6.3-9.5 H LEU 70 - QG2 VAL 133 far 0 97 0 - 9.7-11.7 Violated in 14 structures by 0.40 A. Peak 10565 from cnoeabs.peaks (8.47, 3.77, 65.08 ppm; 6.10 A): 1 out of 1 assignment used, quality = 1.00: H VAL 132 + HA VAL 133 OK 100 100 100 100 4.9-5.2 10564/3.2=91...(26) Violated in 0 structures by 0.00 A. Peak 10566 from cnoeabs.peaks (3.45, 1.04, 23.73 ppm; 4.55 A): 2 out of 4 assignments used, quality = 0.58: HA LEU 42 + QG2 VAL 133 OK 41 68 60 99 4.5-7.1 3.9/10587=71...(10) HA ILE 129 + QG2 VAL 133 OK 29 96 30 100 5.3-6.9 3.6/10562=57, 10479=52...(29) HA VAL 77 - QG2 VAL 133 far 15 100 15 - 5.8-8.2 HA VAL 126 - QG2 VAL 133 far 0 90 0 - 7.7-9.6 Violated in 17 structures by 0.73 A. Peak 10567 from cnoeabs.peaks (1.17, 1.04, 23.73 ppm; 3.14 A): 2 out of 7 assignments used, quality = 0.87: HG3 LYS 39 + QG2 VAL 133 OK 76 98 85 92 3.1-6.1 2.9/11767=35...(21) QG2 VAL 132 + QG2 VAL 133 OK 45 65 70 98 3.8-5.7 2.1/11764=42...(32) QB ALA 41 - QG2 VAL 133 far 0 100 0 - 5.0-7.8 QG2 VAL 77 - QG2 VAL 133 far 0 90 0 - 6.1-7.6 QG2 THR 25 - QG2 VAL 133 far 0 78 0 - 7.2-23.0 QG2 THR 18 - QG2 VAL 133 far 0 99 0 - 7.3-29.6 HG12 ILE 32 - QG2 VAL 133 far 0 100 0 - 9.7-18.5 Violated in 17 structures by 0.36 A. Peak 10568 from cnoeabs.peaks (1.48, 1.04, 23.73 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 42 + QG2 VAL 133 OK 99 99 100 100 3.4-5.7 2.1/10587=96...(31) HG3 LYS 86 - QG2 VAL 133 far 0 100 0 - 6.9-10.6 HG3 LYS 36 - QG2 VAL 133 far 0 95 0 - 8.4-15.5 Violated in 11 structures by 0.37 A. Peak 10569 from cnoeabs.peaks (1.67, 1.04, 23.73 ppm; 4.19 A): 2 out of 10 assignments used, quality = 0.94: HD2 LYS 39 + QG2 VAL 133 OK 82 99 85 98 3.4-7.4 3.6/11767=55...(18) HG LEU 43 + QG2 VAL 133 OK 65 65 100 100 2.5-4.0 2.1/11776=91...(26) HD3 LYS 36 - QG2 VAL 133 far 0 100 0 - 6.1-15.7 HD2 LYS 36 - QG2 VAL 133 far 0 100 0 - 6.2-14.5 QB ALA 88 - QG2 VAL 133 far 0 98 0 - 7.2-8.8 HB2 LEU 69 - QG2 VAL 133 far 0 100 0 - 7.4-11.0 HD2 LYS 86 - QG2 VAL 133 far 0 97 0 - 7.9-11.6 HD3 LYS 86 - QG2 VAL 133 far 0 97 0 - 7.9-11.9 HD3 LYS 24 - QG2 VAL 133 far 0 97 0 - 8.9-26.6 HD2 LYS 24 - QG2 VAL 133 far 0 98 0 - 9.9-27.5 Violated in 0 structures by 0.00 A. Peak 10570 from cnoeabs.peaks (2.64, 1.04, 23.73 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.96: HG2 GLN 134 + QG2 VAL 133 OK 96 96 100 100 3.0-5.3 10576/2.1=79...(26) HB3 CYS 79 - QG2 VAL 133 far 7 68 10 - 5.3-9.4 Violated in 3 structures by 0.04 A. Peak 10571 from cnoeabs.peaks (2.97, 1.04, 23.73 ppm; 5.93 A): 1 out of 5 assignments used, quality = 0.28: HD2 ARG 135 + QG2 VAL 133 OK 28 60 50 92 5.0-8.1 6.2/10632=49...(11) HB2 CYS 45 - QG2 VAL 133 poor 14 71 20 - 6.8-9.9 HE3 LYS 36 - QG2 VAL 133 far 5 99 5 - 6.7-15.3 HE3 LYS 86 - QG2 VAL 133 far 0 99 0 - 7.5-11.9 HE2 LYS 36 - QG2 VAL 133 far 0 97 0 - 7.8-14.5 Violated in 19 structures by 1.36 A. Peak 10572 from cnoeabs.peaks (1.66, 0.84, 22.13 ppm; 3.66 A): 1 out of 11 assignments used, quality = 0.68: HG LEU 43 + QG1 VAL 133 OK 68 85 80 100 3.1-6.1 2.1/11679=88...(27) HD2 LYS 39 - QG1 VAL 133 far 0 90 0 - 5.8-9.3 QB ALA 88 - QG1 VAL 133 far 0 100 0 - 5.8-7.4 HB2 LEU 69 - QG1 VAL 133 far 0 99 0 - 6.4-9.5 HD2 LYS 36 - QG1 VAL 133 far 0 99 0 - 6.5-14.5 HD2 LYS 86 - QG1 VAL 133 far 0 100 0 - 6.9-10.4 HD3 LYS 36 - QG1 VAL 133 far 0 99 0 - 6.9-15.5 HD3 LYS 86 - QG1 VAL 133 far 0 100 0 - 7.1-10.4 HG3 ARG 84 - QG1 VAL 133 far 0 71 0 - 7.3-11.5 HG2 ARG 84 - QG1 VAL 133 far 0 71 0 - 8.0-12.1 HD2 LYS 95 - QG1 VAL 133 far 0 99 0 - 9.7-14.6 Violated in 16 structures by 0.79 A. Peak 10573 from cnoeabs.peaks (1.33, 0.84, 22.13 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.85: QB ALA 46 + QG1 VAL 133 OK 85 96 90 99 3.6-6.2 9176/11777=76...(12) Violated in 13 structures by 0.48 A. Peak 10574 from cnoeabs.peaks (2.04, 0.84, 22.13 ppm; 4.52 A): 3 out of 8 assignments used, quality = 0.99: HG3 ARG 135 + QG1 VAL 133 OK 88 97 95 95 4.7-7.2 ~10571=30, 10575/2.1=23...(20) HG3 PRO 81 + QG1 VAL 133 OK 86 98 90 98 3.9-7.4 ~11757=49...(29) HB2 GLN 134 + QG1 VAL 133 OK 55 78 70 100 4.4-6.5 1.8/11765=76...(24) HB3 GLU 40 - QG1 VAL 133 far 0 99 0 - 7.2-10.7 HB2 GLU 44 - QG1 VAL 133 far 0 85 0 - 7.3-9.8 HB2 GLN 127 - QG1 VAL 133 far 0 93 0 - 7.8-8.8 HG2 ARG 90 - QG1 VAL 133 far 0 83 0 - 7.9-10.8 HB3 GLN 27 - QG1 VAL 133 far 0 87 0 - 9.0-22.2 Violated in 3 structures by 0.03 A. Peak 10575 from cnoeabs.peaks (2.05, 1.04, 23.73 ppm; 4.71 A): 4 out of 8 assignments used, quality = 0.99: HG3 ARG 135 + QG2 VAL 133 OK 85 93 95 96 4.9-7.4 3.0/10571=45...(16) HG3 PRO 81 + QG2 VAL 133 OK 84 100 85 100 2.3-7.9 2.3/11757=79...(32) HB2 GLN 134 + QG2 VAL 133 OK 68 68 100 100 4.3-5.3 2.9/10570=72...(22) HB3 GLU 40 + QG2 VAL 133 OK 22 97 40 57 5.7-8.9 6460/10563=19...(8) HB2 GLU 44 - QG2 VAL 133 far 0 76 0 - 6.9-9.7 HB2 GLN 127 - QG2 VAL 133 far 0 97 0 - 8.1-11.0 HB3 GLN 27 - QG2 VAL 133 far 0 93 0 - 8.7-23.5 HG2 ARG 90 - QG2 VAL 133 far 0 73 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 10576 from cnoeabs.peaks (2.64, 0.84, 22.13 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLN 134 + QG1 VAL 133 OK 99 99 100 100 2.9-5.0 10597=98, 10570/2.1=89...(22) Violated in 0 structures by 0.00 A. Peak 10577 from cnoeabs.peaks (2.96, 0.84, 22.13 ppm; 3.98 A): 0 out of 8 assignments used, quality = 0.00: HE2 LYS 39 - QG1 VAL 133 poor 20 71 30 92 4.4-8.0 9120/11677=31...(16) HE3 LYS 39 - QG1 VAL 133 poor 15 60 25 - 4.6-9.0 HG CYS 73 - QG1 VAL 133 far 12 83 15 - 5.1-8.0 HD2 ARG 135 - QG1 VAL 133 far 9 87 10 - 5.1-7.5 HB2 CYS 45 - QG1 VAL 133 far 0 93 0 - 6.4-10.0 HE3 LYS 36 - QG1 VAL 133 far 0 100 0 - 7.5-15.2 HE3 LYS 86 - QG1 VAL 133 far 0 100 0 - 7.9-10.9 HE2 LYS 36 - QG1 VAL 133 far 0 100 0 - 8.2-14.3 Violated in 19 structures by 0.80 A. Peak 10578 from cnoeabs.peaks (3.40, 0.84, 22.13 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.90: HA LYS 39 + QG1 VAL 133 OK 90 100 90 100 3.7-6.7 9053=95, 10870/10585=72...(18) Violated in 11 structures by 0.38 A. Peak 10579 from cnoeabs.peaks (2.92, 1.04, 23.73 ppm; 6.44 A): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 39 + QG2 VAL 133 OK 100 100 100 100 1.9-6.6 ~10577=95, 4.9/11767=84...(17) HE2 LYS 39 + QG2 VAL 133 OK 99 99 100 100 2.2-5.9 4.9/11767=84...(16) HD2 ARG 135 + QG2 VAL 133 OK 74 92 85 95 5.0-8.1 6.2/10632=57, ~10574=32...(11) HG CYS 73 + QG2 VAL 133 OK 58 95 70 88 6.5-9.4 9097/10587=41...(8) HB2 CYS 45 + QG2 VAL 133 OK 29 85 35 96 6.8-9.9 1295/10566=58...(6) Violated in 0 structures by 0.00 A. Peak 10585 from cnoeabs.peaks (0.56, 0.84, 22.13 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 42 + QG1 VAL 133 OK 100 100 100 100 1.8-3.5 10587/2.1=75...(48) Violated in 0 structures by 0.00 A. Peak 10586 from cnoeabs.peaks (0.25, 0.84, 22.13 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.84: QD1 ILE 80 + QG1 VAL 133 OK 84 89 95 100 2.7-6.1 10588/2.1=63...(45) Violated in 7 structures by 0.29 A. Peak 10587 from cnoeabs.peaks (0.56, 1.04, 23.73 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 42 + QG2 VAL 133 OK 100 100 100 100 1.9-3.5 2.1/11774=62...(41) Violated in 3 structures by 0.03 A. Peak 10588 from cnoeabs.peaks (0.27, 1.04, 23.73 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.70: QD1 ILE 80 + QG2 VAL 133 OK 70 100 70 100 3.3-7.5 9746/10555=62...(42) QG2 VAL 93 - QG2 VAL 133 far 0 92 0 - 6.3-9.2 Violated in 18 structures by 1.08 A. Peak 10590 from cnoeabs.peaks (0.27, 3.77, 65.08 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.95: QD1 ILE 80 + HA VAL 133 OK 95 100 95 100 2.7-6.8 10588/3.2=86...(37) QG2 VAL 93 - HA VAL 133 far 0 87 0 - 7.1-10.5 Violated in 6 structures by 0.22 A. Peak 10594 from cnoeabs.peaks (1.70, 2.65, 35.91 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.97: HG2 ARG 135 + HG2 GLN 134 OK 92 92 100 100 3.6-7.0 7983/7976=88...(14) HD2 LYS 39 + HG2 GLN 134 OK 37 87 45 96 6.8-12.4 ~10602=30, 1377/9121=26...(15) HD3 LYS 39 + HG2 GLN 134 OK 33 87 40 96 5.4-13.1 ~10602=30, 1377/9121=27...(17) Violated in 0 structures by 0.00 A. Peak 10595 from cnoeabs.peaks (1.05, 2.65, 35.91 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.92: QG2 VAL 133 + HG2 GLN 134 OK 92 92 100 100 3.0-5.3 2.1/10576=89, 10570=87...(27) Violated in 0 structures by 0.00 A. Peak 10596 from cnoeabs.peaks (0.75, 2.65, 35.91 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 43 + HG2 GLN 134 OK 100 100 100 100 2.5-5.6 9124=98, 2.1/9121=72...(31) HG12 ILE 129 - HG2 GLN 134 far 0 100 0 - 9.2-10.0 QD1 ILE 37 - HG2 GLN 134 far 0 60 0 - 9.6-14.4 Violated in 3 structures by 0.12 A. Peak 10597 from cnoeabs.peaks (0.84, 2.65, 35.91 ppm; 4.82 A): 1 out of 5 assignments used, quality = 0.99: QG1 VAL 133 + HG2 GLN 134 OK 99 99 100 100 2.9-5.0 10576=98, 2.1/10570=85...(22) QG2 ILE 129 - HG2 GLN 134 far 4 81 5 - 6.3-7.2 QG2 ILE 80 - HG2 GLN 134 far 0 60 0 - 7.0-11.4 HG13 ILE 80 - HG2 GLN 134 far 0 85 0 - 7.3-13.0 QD2 LEU 69 - HG2 GLN 134 far 0 65 0 - 7.4-11.2 Violated in 2 structures by 0.01 A. Peak 10598 from cnoeabs.peaks (1.65, 2.08, 35.91 ppm; 6.44 A): 2 out of 4 assignments used, quality = 0.96: HG LEU 43 + HG3 GLN 134 OK 94 99 95 100 3.8-8.4 2.1/11685=100...(27) HD2 LYS 39 + HG3 GLN 134 OK 30 60 55 91 5.8-12.6 2.9/10602=35...(10) QB ALA 88 - HG3 GLN 134 far 0 96 0 - 8.1-10.2 HG3 ARG 84 - HG3 GLN 134 far 0 96 0 - 9.1-14.6 Violated in 4 structures by 0.23 A. Peak 10599 from cnoeabs.peaks (1.05, 2.08, 35.91 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 133 + HG3 GLN 134 OK 99 99 100 100 2.5-5.2 10570/1.8=96...(36) Violated in 0 structures by 0.00 A. Peak 10600 from cnoeabs.peaks (0.68, 2.08, 35.91 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.78: QD1 LEU 43 + HG3 GLN 134 OK 78 78 100 100 1.9-5.8 2.1/11685=85...(23) Violated in 4 structures by 0.11 A. Peak 10601 from cnoeabs.peaks (0.83, 2.08, 35.91 ppm; 5.05 A): 1 out of 4 assignments used, quality = 1.00: QG1 VAL 133 + HG3 GLN 134 OK 100 100 100 100 1.9-5.3 10576/1.8=87...(29) QG2 ILE 129 - HG3 GLN 134 poor 17 93 25 71 6.2-8.0 10597/1.8=24...(12) HG13 ILE 80 - HG3 GLN 134 far 0 96 0 - 7.5-13.4 QG2 ILE 80 - HG3 GLN 134 far 0 78 0 - 7.6-10.1 Violated in 5 structures by 0.05 A. Peak 10602 from cnoeabs.peaks (2.93, 2.08, 35.91 ppm; 5.78 A): 3 out of 5 assignments used, quality = 0.94: HD2 ARG 135 + HG3 GLN 134 OK 72 99 75 97 4.9-7.7 7985/4.9=52, 3.0/4297=42...(12) HE2 LYS 39 + HG3 GLN 134 OK 58 100 60 97 3.5-11.2 9120/10600=44...(17) HE3 LYS 39 + HG3 GLN 134 OK 52 100 55 95 4.0-12.9 9123/10601=36...(15) HG CYS 73 - HG3 GLN 134 far 0 99 0 - 9.3-16.1 HB2 CYS 45 - HG3 GLN 134 far 0 96 0 - 9.5-13.2 Violated in 5 structures by 0.05 A. Peak 10603 from cnoeabs.peaks (2.95, 2.65, 35.91 ppm; 5.92 A): 3 out of 3 assignments used, quality = 0.98: HD2 ARG 135 + HG2 GLN 134 OK 95 97 100 98 4.9-6.5 7985/7976=55...(11) HE2 LYS 39 + HG2 GLN 134 OK 49 89 55 99 4.7-11.1 10577/10576=75...(17) HE3 LYS 39 + HG2 GLN 134 OK 35 81 45 97 4.2-12.5 10571/10570=39...(16) Violated in 4 structures by 0.06 A. Peak 10604 from cnoeabs.peaks (3.79, 2.65, 35.91 ppm; 5.33 A): 4 out of 4 assignments used, quality = 1.00: HA SER 130 + HG2 GLN 134 OK 96 97 100 98 4.7-5.4 11747/9124=72...(13) HB3 SER 130 + HG2 GLN 134 OK 84 87 100 96 4.3-6.8 10509/9124=58...(13) HA LEU 43 + HG2 GLN 134 OK 77 97 80 100 4.9-7.8 10626/3.5=77...(9) HA VAL 133 + HG2 GLN 134 OK 71 71 100 100 4.9-6.4 3.6/7950=86...(19) Violated in 0 structures by 0.00 A. Peak 10605 from cnoeabs.peaks (3.80, 2.08, 35.91 ppm; 6.80 A): 4 out of 4 assignments used, quality = 1.00: HA SER 130 + HG3 GLN 134 OK 80 81 100 99 4.1-6.4 11863/10601=67...(18) HA LEU 43 + HG3 GLN 134 OK 78 78 100 100 4.1-7.7 10626/3.5=98...(14) HB2 SER 130 + HG3 GLN 134 OK 78 85 100 92 5.5-7.8 11720/10601=73...(9) HB3 SER 130 + HG3 GLN 134 OK 58 60 100 96 4.4-6.3 10509/10601=43...(17) Violated in 0 structures by 0.00 A. Peak 10613 from cnoeabs.peaks (7.05, 4.02, 58.76 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: HE ARG 135 + HA ARG 135 OK 100 100 100 100 3.6-5.2 11867=99, 11874/4308=91...(13) QD PHE 89 - HA ARG 135 far 0 90 0 - 8.1-10.3 Violated in 1 structures by 0.00 A. Peak 10614 from cnoeabs.peaks (7.06, 1.90, 31.04 ppm; 5.96 A): 1 out of 2 assignments used, quality = 0.97: HE ARG 135 + HB2 ARG 135 OK 97 97 100 100 1.9-4.5 5.1=100 QD PHE 89 - HB2 ARG 135 poor 18 100 30 60 5.9-9.5 10543/10638=30...(4) Violated in 0 structures by 0.00 A. Peak 10615 from cnoeabs.peaks (7.06, 1.71, 27.30 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.97: HE ARG 135 + HG2 ARG 135 OK 97 97 100 100 2.2-3.6 11874=95, 11871/1.8=86...(9) QD PHE 89 - HG2 ARG 135 far 0 100 0 - 6.1-9.2 Violated in 0 structures by 0.00 A. Peak 10616 from cnoeabs.peaks (7.05, 2.03, 27.30 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * HE ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.1-3.7 4.0=100 QD PHE 89 - HG3 PRO 81 poor 16 52 30 - 4.3-7.0 HE ARG 135 - HG3 PRO 81 far 6 61 10 - 5.0-10.6 QD PHE 89 - HG3 ARG 135 far 0 93 0 - 5.9-8.1 Violated in 0 structures by 0.00 A. Peak 10617 from cnoeabs.peaks (7.05, 2.94, 44.19 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.99: * HE ARG 135 + HD2 ARG 135 OK 99 99 100 100 2.7-2.9 2.9=100 QD PHE 89 - HD2 ARG 135 far 0 81 0 - 5.9-9.8 Violated in 0 structures by 0.00 A. Peak 10618 from cnoeabs.peaks (6.93, 2.94, 44.19 ppm; 4.65 A): 0 out of 1 assignment used, quality = 0.00: HE21 GLN 82 - HD2 ARG 135 poor 20 100 20 - 5.1-14.9 Violated in 20 structures by 4.01 A. Peak 10619 from cnoeabs.peaks (6.68, 2.94, 44.19 ppm; 4.49 A): 0 out of 0 assignments used, quality = 0.00: Peak 10620 from cnoeabs.peaks (7.05, 3.23, 44.19 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.99: HE ARG 135 + HD3 ARG 135 OK 99 99 100 100 2.3-2.9 2.9=100 QD PHE 89 - HD3 ARG 135 far 0 81 0 - 6.0-9.3 Violated in 0 structures by 0.00 A. Peak 10621 from cnoeabs.peaks (6.93, 3.23, 44.19 ppm; 4.44 A): 0 out of 1 assignment used, quality = 0.00: HE21 GLN 82 - HD3 ARG 135 poor 20 99 20 - 3.7-13.8 Violated in 17 structures by 3.76 A. Peak 10622 from cnoeabs.peaks (6.62, 3.23, 44.19 ppm; 4.44 A): 0 out of 0 assignments used, quality = 0.00: Peak 10623 from cnoeabs.peaks (8.11, 3.23, 44.19 ppm; 6.15 A): 1 out of 2 assignments used, quality = 0.59: HD22 ASN 85 + HD3 ARG 135 OK 59 71 85 99 2.4-9.2 ~9800=68, 9816=59...(12) H PHE 87 - HD3 ARG 135 far 5 98 5 - 7.5-11.4 Violated in 8 structures by 0.54 A. Peak 10635 from cnoeabs.peaks (3.52, 3.23, 44.19 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 132 + HD3 ARG 135 OK 100 100 100 100 1.8-4.3 10530=96, 10529/1.8=82...(29) Violated in 0 structures by 0.00 A. Peak 10636 from cnoeabs.peaks (3.53, 2.94, 44.19 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.98: HA VAL 132 + HD2 ARG 135 OK 98 98 100 100 1.9-4.7 10529=97, 10530/1.8=76...(29) Violated in 1 structures by 0.02 A. Peak 10638 from cnoeabs.peaks (3.50, 1.90, 31.04 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.85: HA VAL 132 + HB2 ARG 135 OK 85 85 100 100 1.9-5.1 11797=77, 10624/7981=76...(27) Violated in 0 structures by 0.00 A. Peak 10640 from cnoeabs.peaks (1.13, 3.23, 44.19 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + HD3 ARG 135 OK 100 100 100 100 1.9-5.2 11744=65, 3.2/10635=61...(42) QG2 VAL 132 + HD3 ARG 135 OK 75 100 75 100 3.8-6.4 3.2/10635=61...(42) HG2 LYS 39 - HD3 ARG 135 far 0 100 0 - 8.2-14.1 HG3 LYS 39 - HD3 ARG 135 far 0 76 0 - 9.9-15.0 Violated in 3 structures by 0.03 A. Peak 10643 from cnoeabs.peaks (7.27, 3.25, 28.77 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: HD2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 10644 from cnoeabs.peaks (7.26, 4.69, 55.19 ppm; 6.26 A): 1 out of 2 assignments used, quality = 1.00: HD2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.8-4.8 4.7=100 HD2 HIS 10 - HA HIS 8 lone 1 85 45 2 5.4-11.0 Violated in 0 structures by 0.00 A. Peak 10645 from cnoeabs.peaks (7.27, 3.17, 28.77 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: HD2 HIS 10 + HB2 HIS 10 OK 100 100 100 100 2.7-4.0 3.9=100 HD2 HIS 10 - HB3 HIS 6 far 0 52 0 - 8.1-18.5 HD2 HIS 10 - HB2 HIS 6 far 0 32 0 - 9.4-18.8 Violated in 0 structures by 0.00 A. Peak 10649 from cnoeabs.peaks (1.34, 4.42, 55.13 ppm; 4.76 A): 1 out of 4 assignments used, quality = 0.93: QB ALA 12 + HA MET 11 OK 93 93 100 100 3.7-4.3 4.6=100 QB ALA 21 - HA MET 11 far 5 100 5 - 6.0-20.4 HG2 LYS 19 - HA MET 11 far 0 85 0 - 6.4-19.8 QB ALA 46 - HA HIS 5 far 0 68 0 - 9.9-49.8 Violated in 0 structures by 0.00 A. Peak 10651 from cnoeabs.peaks (0.90, 2.02, 32.84 ppm; 3.20 A): 0 out of 5 assignments used, quality = 0.00: QG2 VAL 20 - HB3 MET 11 far 10 97 10 - 3.7-18.6 QG1 VAL 20 - HB3 MET 11 far 5 100 5 - 2.6-16.6 QD1 LEU 22 - HB3 MET 11 far 5 99 5 - 3.0-17.7 QD1 LEU 48 - HB3 MET 11 far 0 81 0 - 8.2-30.9 QD2 LEU 48 - HB3 MET 11 far 0 99 0 - 9.3-30.7 Violated in 18 structures by 5.33 A. Peak 10654 from cnoeabs.peaks (1.37, 4.66, 53.15 ppm; 5.46 A): 2 out of 9 assignments used, quality = 0.96: QB ALA 12 + HA ASN 13 OK 95 95 100 100 3.8-4.4 5.0=100 QB ALA 15 + HA ASN 13 OK 23 97 55 43 5.0-7.7 10659/6106=30...(4) QB ALA 29 - HA ASN 13 far 5 99 5 - 6.4-25.2 HG2 LYS 19 - HA ASN 13 lone 4 99 40 8 3.0-17.7 11759/3.0=3, 10656/3.0=2...(4) QB ALA 28 - HA ASN 13 far 0 97 0 - 7.0-23.8 HG3 LYS 31 - HA ASN 13 far 0 87 0 - 7.0-26.8 HG2 LYS 24 - HA ASN 13 far 0 99 0 - 7.7-25.0 QB ALA 110 - HA ASN 13 far 0 97 0 - 9.7-46.9 HG2 LYS 36 - HA ASN 13 far 0 99 0 - 10.0-33.3 Violated in 0 structures by 0.00 A. Peak 10656 from cnoeabs.peaks (1.37, 2.77, 38.79 ppm; 4.92 A): 1 out of 8 assignments used, quality = 0.94: QB ALA 12 + HB3 ASN 13 OK 94 95 100 100 3.1-5.8 6085/6088=83...(7) QB ALA 15 - HB3 ASN 13 poor 9 97 25 37 3.7-8.8 10659/6108=20...(4) HG2 LYS 24 - HB3 ASN 13 far 5 99 5 - 5.3-27.1 QB ALA 28 - HB3 ASN 13 far 5 97 5 - 5.4-24.9 HG2 LYS 19 - HB3 ASN 13 lone 2 99 30 7 4.2-19.9 11759/1.8=3, 10654/3.0=2 HG3 LYS 31 - HB3 ASN 13 far 0 87 0 - 7.7-28.7 QB ALA 29 - HB3 ASN 13 far 0 99 0 - 7.8-27.1 HG3 LYS 26 - HB3 ASN 13 far 0 98 0 - 9.8-31.7 Violated in 14 structures by 0.25 A. Peak 10660 from cnoeabs.peaks (1.37, 3.92, 45.20 ppm; 3.82 A): 6 out of 34 assignments used, quality = 1.00: QB ALA 15 + HA2 GLY 14 OK 93 99 100 94 3.9-5.0 4.9=47, 2.9/6116=34...(13) QB ALA 15 + HA3 GLY 14 OK 93 99 100 94 3.9-5.0 4.9=47, 2.9/6116=35...(13) QB ALA 110 + HA2 GLY 111 OK 76 78 100 97 3.6-4.7 4.8=49, 10679/1.8=37...(21) QB ALA 109 + HA2 GLY 111 OK 47 71 80 83 3.6-6.8 11548/10661=28...(18) QB ALA 12 + HA3 GLY 14 OK 24 92 70 38 4.1-6.3 10659/3.0=25, ~11760=13, ~6377=5 QB ALA 12 + HA2 GLY 14 OK 21 92 60 38 3.9-6.7 10659/3.0=25, ~11760=13, ~6377=5 HG2 LYS 19 - HA2 GLY 14 poor 19 97 20 - 2.8-15.5 QB ALA 16 - HA2 GLY 14 poor 16 57 85 33 4.1-7.0 6119/3.6=12, 10677=7...(6) QB ALA 16 - HA3 GLY 14 poor 15 57 80 33 3.9-7.2 6119/3.6=12, 10677=7...(6) HG2 LYS 19 - HA3 GLY 14 far 15 97 15 - 2.6-15.1 QB ALA 15 - HA2 GLY 111 far 8 78 10 - 2.8-42.7 QB ALA 16 - HA2 GLY 111 far 6 40 15 - 3.3-39.3 QB ALA 108 - HA2 GLY 111 far 0 76 0 - 5.7-9.0 HG3 LYS 31 - HA2 GLY 14 far 0 90 0 - 5.8-25.4 QB ALA 12 - HA2 GLY 111 far 0 70 0 - 6.2-43.8 HG3 LYS 26 - HA2 GLY 111 far 0 79 0 - 6.5-31.3 HG2 LYS 24 - HA2 GLY 14 far 0 100 0 - 6.8-25.7 QB ALA 28 - HA2 GLY 14 far 0 98 0 - 7.0-22.5 QB ALA 110 - HA3 GLY 14 far 0 99 0 - 7.4-44.3 HG2 LYS 24 - HA3 GLY 14 far 0 100 0 - 7.5-25.7 HG3 LYS 31 - HA3 GLY 14 far 0 90 0 - 7.5-25.8 HG2 LYS 36 - HA3 GLY 14 far 0 99 0 - 7.7-33.5 QB ALA 110 - HA2 GLY 14 far 0 99 0 - 7.9-44.9 QB ALA 28 - HA2 GLY 111 far 0 77 0 - 8.0-24.4 QB ALA 28 - HA3 GLY 14 far 0 98 0 - 8.3-23.2 QB ALA 29 - HA2 GLY 14 far 0 99 0 - 8.5-24.5 QB ALA 29 - HA2 GLY 111 far 0 80 0 - 8.8-21.8 HG2 LYS 36 - HA2 GLY 14 far 0 99 0 - 9.0-33.0 HG2 LYS 19 - HA2 GLY 111 far 0 76 0 - 9.2-49.1 QB ALA 109 - HA2 GLY 14 far 0 93 0 - 9.4-41.8 QB ALA 109 - HA3 GLY 14 far 0 93 0 - 9.6-41.2 QB ALA 29 - HA3 GLY 14 far 0 99 0 - 9.7-25.0 HB3 LEU 100 - HA2 GLY 111 far 0 80 0 - 9.8-18.2 HG2 LYS 24 - HA2 GLY 111 far 0 80 0 - 9.8-38.8 Violated in 0 structures by 0.00 A. Peak 10661 from cnoeabs.peaks (0.93, 3.92, 45.20 ppm; 3.88 A): 1 out of 22 assignments used, quality = 0.77: QG2 VAL 112 + HA2 GLY 111 OK 77 78 100 98 3.1-5.3 3556/3.6=64, 3557/4.8=41...(17) QG1 VAL 20 - HA3 GLY 14 far 7 73 10 - 4.3-12.6 QG2 VAL 63 - HA2 GLY 111 far 6 59 10 - 4.1-13.2 QG2 VAL 112 - HA2 GLY 14 far 5 99 5 - 5.1-42.9 QG2 VAL 112 - HA3 GLY 14 far 5 99 5 - 5.3-42.2 QG1 VAL 57 - HA2 GLY 14 far 4 89 5 - 4.3-31.5 QG1 VAL 20 - HA2 GLY 14 far 4 73 5 - 4.0-12.3 QD1 LEU 119 - HA2 GLY 111 far 0 76 0 - 5.7-10.7 QG1 VAL 57 - HA3 GLY 14 far 0 89 0 - 5.8-31.9 QG1 VAL 20 - HA2 GLY 111 far 0 53 0 - 6.3-38.4 QG1 VAL 57 - HA2 GLY 111 far 0 66 0 - 6.6-17.1 QD1 LEU 62 - HA2 GLY 111 far 0 65 0 - 6.9-12.2 QG1 VAL 105 - HA2 GLY 111 far 0 44 0 - 6.9-14.9 QG1 VAL 105 - HA2 GLY 14 far 0 63 0 - 7.6-38.7 QG1 VAL 105 - HA3 GLY 14 far 0 63 0 - 7.7-38.0 QD1 LEU 119 - HA2 GLY 14 far 0 97 0 - 9.0-35.1 QG2 ILE 37 - HA3 GLY 14 far 0 100 0 - 9.2-28.1 QG2 VAL 63 - HA2 GLY 14 far 0 81 0 - 9.5-32.6 QG2 ILE 37 - HA2 GLY 14 far 0 100 0 - 9.5-27.7 QD1 LEU 62 - HA2 GLY 14 far 0 87 0 - 9.7-32.6 QD1 LEU 119 - HA3 GLY 14 far 0 97 0 - 10.0-34.5 QG2 VAL 63 - HA3 GLY 14 far 0 80 0 - 10.0-31.9 Violated in 13 structures by 0.41 A. Peak 10676 from cnoeabs.peaks (3.93, 4.28, 52.57 ppm; 3.95 A): 5 out of 64 assignments used, quality = 1.00: HA2 GLY 111 + HA ALA 110 OK 84 90 100 92 4.3-5.3 3.0/7577=49...(15) HA3 GLY 14 + HA ALA 15 OK 81 89 100 91 4.3-4.9 6117/3.0=35, ~6113=26...(12) HA2 GLY 14 + HA ALA 15 OK 80 88 100 91 4.3-5.0 6117/3.0=35, ~6113=26...(12) HA3 GLY 111 + HA ALA 110 OK 67 76 100 89 4.4-5.0 3.0/7577=49, ~7578=20...(14) HB2 SER 107 + HA ALA 108 OK 44 92 50 95 4.7-6.3 7556/3.0=54...(13) HA2 GLY 111 - HA ALA 109 poor 17 90 25 78 4.5-7.9 11477/3.6=24...(18) HB3 SER 60 - HA ALA 109 poor 17 69 25 - 2.0-20.3 HB2 SER 60 - HA ALA 108 poor 15 73 20 - 2.0-19.8 HB3 SER 60 - HA ALA 110 poor 14 70 20 - 4.0-21.4 HA3 GLY 14 - HA ALA 12 far 12 81 15 - 4.9-7.0 HB3 SER 60 - HA ALA 108 far 11 73 15 - 2.6-20.0 HB2 SER 60 - HA ALA 110 far 10 70 15 - 2.8-21.9 HB2 SER 60 - HA ALA 109 far 10 69 15 - 3.5-20.5 HA2 GLY 111 - HA ALA 16 far 10 100 10 - 2.4-48.4 HA2 GLY 14 - HA ALA 16 far 10 97 10 - 5.1-7.9 HA3 GLY 111 - HA ALA 16 far 9 89 10 - 3.9-49.5 HD3 PRO 113 - HA ALA 109 far 9 86 10 - 4.1-11.5 HB2 SER 51 - HA ALA 16 far 5 93 5 - 4.2-37.1 HA2 GLY 111 - HA ALA 15 far 5 92 5 - 4.7-51.6 HB2 SER 107 - HA ALA 110 far 4 89 5 - 4.8-12.1 HB2 SER 107 - HA ALA 109 far 4 88 5 - 4.9-8.8 HB2 SER 33 - HA ALA 15 far 4 78 5 - 5.0-28.9 HA3 GLY 111 - HA ALA 15 far 4 78 5 - 5.2-52.7 HA3 GLY 14 - HA ALA 21 far 3 69 5 - 4.2-16.9 HD3 PRO 117 - HA ALA 110 far 3 61 5 - 3.3-17.4 HD3 PRO 117 - HA ALA 109 far 3 60 5 - 4.7-16.2 HD3 PRO 113 - HA ALA 15 far 0 89 0 - 5.6-50.3 HA3 GLY 111 - HA ALA 109 far 0 75 0 - 5.7-8.3 HA2 GLY 14 - HA ALA 21 far 0 68 0 - 5.7-17.2 HA3 GLY 14 - HA ALA 16 far 0 98 0 - 5.7-7.9 HB3 SER 60 - HA ALA 12 far 0 64 0 - 5.7-40.8 HA2 GLY 14 - HA ALA 12 far 0 80 0 - 5.8-7.5 HD3 PRO 113 - HA ALA 16 far 0 98 0 - 6.1-47.2 HD3 PRO 113 - HA ALA 110 far 0 87 0 - 6.2-10.5 HD3 PRO 117 - HA ALA 108 far 0 64 0 - 6.4-16.7 HB2 SER 51 - HA ALA 15 far 0 83 0 - 6.4-36.0 HA2 GLY 111 - HA ALA 108 far 0 93 0 - 6.8-11.1 HA2 GLY 111 - HA ALA 21 far 0 72 0 - 6.9-43.9 HA ALA 41 - HA ALA 16 far 0 85 0 - 6.9-33.8 HB2 SER 33 - HA ALA 16 far 0 89 0 - 7.0-31.3 HB2 SER 60 - HA ALA 12 far 0 64 0 - 7.1-42.5 HB2 SER 107 - HA ALA 15 far 0 91 0 - 7.1-48.5 HA3 GLY 111 - HA ALA 108 far 0 79 0 - 7.1-11.1 HB2 SER 51 - HA ALA 21 far 0 63 0 - 7.4-34.4 HB2 SER 107 - HA ALA 21 far 0 71 0 - 7.6-40.9 HA3 GLY 75 - HA ALA 16 far 0 71 0 - 7.9-41.3 HA ALA 41 - HA ALA 15 far 0 74 0 - 7.9-34.8 HA3 GLY 14 - HA ALA 110 far 0 87 0 - 8.0-52.5 HA3 GLY 111 - HA ALA 21 far 0 58 0 - 8.0-45.0 HA2 GLY 14 - HA ALA 110 far 0 86 0 - 8.1-53.2 HB2 SER 60 - HA ALA 21 far 0 53 0 - 8.3-33.6 HD3 PRO 113 - HA ALA 108 far 0 90 0 - 8.4-16.3 HA2 GLY 111 - HA ALA 12 far 0 85 0 - 8.8-53.0 HA3 GLY 111 - HA ALA 12 far 0 70 0 - 8.8-54.2 HA ALA 41 - HA ALA 21 far 0 55 0 - 8.9-31.7 HB3 SER 60 - HA ALA 21 far 0 53 0 - 9.2-32.0 HB2 SER 107 - HA ALA 12 far 0 83 0 - 9.2-50.2 HB2 SER 33 - HA ALA 21 far 0 58 0 - 9.3-25.9 HA3 GLY 75 - HA ALA 12 far 0 53 0 - 9.4-41.3 HB2 SER 33 - HA ALA 12 far 0 70 0 - 9.4-30.9 HB2 SER 60 - HA ALA 16 far 0 83 0 - 9.4-38.6 HA3 GLY 75 - HA ALA 15 far 0 60 0 - 9.6-41.9 HB3 SER 60 - HA ALA 16 far 0 83 0 - 9.7-37.1 HB2 SER 107 - HA ALA 16 far 0 99 0 - 10.0-45.3 Violated in 0 structures by 0.00 A. Peak 10677 from cnoeabs.peaks (3.92, 1.40, 19.06 ppm; 4.06 A): 4 out of 27 assignments used, quality = 0.80: HB2 SER 33 + QB ALA 34 OK 41 46 90 100 3.5-6.0 10865/2.1=66...(12) HA2 GLY 111 + QB ALA 109 OK 33 44 85 87 3.6-6.8 10661/11548=32...(19) HA3 GLY 14 + QB ALA 16 OK 28 99 90 32 3.9-7.2 10660/4.7=10...(6) HA2 GLY 14 + QB ALA 16 OK 28 99 90 32 4.1-7.0 10660/4.7=10...(6) HB2 SER 60 - QB ALA 109 poor 16 36 45 - 3.4-16.6 HA3 GLY 111 - QB ALA 109 poor 16 32 65 75 4.7-6.6 3.6/10136=21...(19) HA2 GLY 111 - QB ALA 16 far 15 99 15 - 3.3-39.3 HB3 SER 60 - QB ALA 109 poor 14 36 40 - 2.7-16.7 HA3 GLY 111 - QB ALA 16 far 12 83 15 - 4.0-39.4 HB2 SER 107 - QB ALA 109 poor 9 45 20 - 3.8-8.4 HA3 GLY 75 - QB ALA 34 poor 9 36 25 - 3.2-12.4 HD3 PRO 113 - QB ALA 109 poor 8 40 20 - 4.0-10.1 HD3 PRO 117 - QB ALA 109 poor 5 24 20 - 2.5-12.8 HD3 PRO 113 - QB ALA 16 far 5 96 5 - 5.2-40.8 HA ALA 41 - QB ALA 16 far 5 90 5 - 5.0-27.5 HB2 SER 51 - QB ALA 16 far 4 89 5 - 5.4-29.9 HA ALA 41 - QB ALA 34 far 0 43 0 - 6.8-10.2 HB2 SER 33 - QB ALA 16 far 0 93 0 - 7.8-24.9 HA ALA 46 - QB ALA 34 far 0 24 0 - 8.0-15.3 HB3 SER 60 - QB ALA 16 far 0 89 0 - 8.1-30.6 HB2 SER 60 - QB ALA 16 far 0 89 0 - 8.2-31.6 HA3 GLY 75 - QB ALA 16 far 0 78 0 - 8.5-34.1 HB2 SER 107 - QB ALA 16 far 0 100 0 - 8.7-36.5 HA3 GLY 14 - QB ALA 34 far 0 52 0 - 9.3-31.0 HA2 GLY 14 - QB ALA 109 far 0 44 0 - 9.4-41.8 HA3 GLY 14 - QB ALA 109 far 0 44 0 - 9.6-41.2 HA2 GLY 14 - QB ALA 34 far 0 52 0 - 9.8-30.3 Violated in 1 structures by 0.03 A. Peak 10679 from cnoeabs.peaks (1.37, 3.96, 45.21 ppm; 4.06 A): 2 out of 34 assignments used, quality = 0.72: QB ALA 110 + HA3 GLY 111 OK 62 64 100 97 3.6-4.2 4.8=59, 7578/3.0=39...(20) QB ALA 109 + HA3 GLY 111 OK 27 56 65 73 4.7-6.6 7578/3.0=19...(19) QB ALA 12 - HA2 GLY 17 poor 19 96 20 - 4.2-12.4 HG2 LYS 19 - HA2 GLY 17 far 15 99 15 - 4.5-8.5 QB ALA 15 - HA3 GLY 17 poor 13 97 50 27 3.5-7.8 6131/3.0=6, ~6130=5...(11) QB ALA 15 - HA2 GLY 17 poor 12 97 45 27 4.0-7.3 6131/3.0=6, ~6130=5...(11) HG2 LYS 24 - HA3 GLY 17 far 5 99 5 - 4.3-17.1 HG2 LYS 36 - HA2 GLY 17 far 5 98 5 - 2.1-30.9 HG2 LYS 24 - HA2 GLY 17 far 5 99 5 - 5.0-16.4 HG2 LYS 36 - HA3 GLY 17 far 5 98 5 - 2.9-31.2 QB ALA 110 - HA3 GLY 17 far 5 97 5 - 4.9-44.4 QB ALA 109 - HA3 GLY 17 far 4 89 5 - 5.0-41.6 HG3 LYS 31 - HA2 GLY 17 far 4 85 5 - 2.0-23.9 HG3 LYS 31 - HA3 GLY 17 far 4 85 5 - 3.8-25.0 QB ALA 15 - HA3 GLY 111 far 3 64 5 - 2.7-43.7 QB ALA 108 - HA3 GLY 111 far 3 62 5 - 4.6-9.5 QB ALA 12 - HA3 GLY 17 lone 1 96 25 3 4.5-12.6 10683/3.6=2 HG2 LYS 19 - HA3 GLY 17 far 0 99 0 - 5.6-9.1 QB ALA 110 - HA2 GLY 17 far 0 97 0 - 5.8-45.7 QB ALA 12 - HA3 GLY 111 far 0 63 0 - 5.9-44.8 QB ALA 109 - HA2 GLY 17 far 0 89 0 - 6.0-43.0 HG3 LYS 26 - HA3 GLY 111 far 0 65 0 - 6.7-32.1 QB ALA 108 - HA3 GLY 17 far 0 95 0 - 6.7-40.0 QB ALA 108 - HA2 GLY 17 far 0 95 0 - 7.1-41.3 QB ALA 28 - HA3 GLY 17 far 0 96 0 - 7.2-21.0 QB ALA 28 - HA2 GLY 17 far 0 96 0 - 7.6-20.3 HG3 LYS 26 - HA2 GLY 17 far 0 97 0 - 7.7-20.6 QB ALA 29 - HA2 GLY 17 far 0 98 0 - 8.5-21.4 QB ALA 28 - HA3 GLY 111 far 0 63 0 - 8.6-24.9 HB2 LEU 42 - HA3 GLY 17 far 0 99 0 - 8.7-32.4 HB2 LEU 42 - HA2 GLY 17 far 0 99 0 - 8.9-32.3 QB ALA 29 - HA3 GLY 17 far 0 98 0 - 9.1-22.2 HG2 LYS 19 - HA3 GLY 111 far 0 68 0 - 9.2-50.1 HG3 LYS 26 - HA3 GLY 17 far 0 97 0 - 9.2-20.8 Violated in 0 structures by 0.00 A. Peak 10680 from cnoeabs.peaks (0.92, 3.96, 45.21 ppm; 3.92 A): 3 out of 34 assignments used, quality = 0.87: QG2 VAL 112 + HA3 GLY 111 OK 62 69 90 99 3.2-5.5 10661/1.8=69...(18) QG1 VAL 20 + HA3 GLY 17 OK 41 96 85 51 2.2-7.8 349/1.8=15, 353/3.0=12...(9) QG1 VAL 20 + HA2 GLY 17 OK 40 96 85 49 2.0-7.6 353/3.0=12, 349/1.8=11...(10) QG2 VAL 20 - HA2 GLY 17 poor 16 63 70 37 1.9-10.1 2.1/343=8, ~353=7...(8) QG2 VAL 20 - HA3 GLY 17 far 9 63 15 - 3.3-10.1 QG2 ILE 37 - HA3 GLY 17 far 9 90 10 - 4.2-28.7 QG1 VAL 57 - HA3 GLY 17 far 6 60 10 - 2.0-30.9 QG1 VAL 57 - HA2 GLY 17 far 6 60 10 - 2.6-32.0 QD2 LEU 48 - HA3 GLY 17 far 5 97 5 - 5.0-22.7 QG2 ILE 37 - HA2 GLY 17 far 5 90 5 - 3.1-28.3 QD1 LEU 22 - HA3 GLY 17 far 4 71 5 - 5.0-12.6 QG2 VAL 63 - HA3 GLY 111 far 3 66 5 - 5.4-12.2 QD2 LEU 48 - HA2 GLY 17 far 0 97 0 - 5.5-23.1 QD1 LEU 22 - HA2 GLY 17 far 0 71 0 - 5.6-12.5 QD1 LEU 48 - HA3 GLY 17 far 0 100 0 - 6.1-23.4 QD1 LEU 48 - HA2 GLY 17 far 0 100 0 - 6.2-23.3 QG2 VAL 112 - HA3 GLY 17 far 0 100 0 - 6.2-42.1 QD1 LEU 62 - HA3 GLY 111 far 0 68 0 - 6.4-13.3 QD1 LEU 119 - HA3 GLY 111 far 0 48 0 - 6.7-11.8 QG2 VAL 112 - HA2 GLY 17 far 0 100 0 - 6.8-43.5 QG1 VAL 20 - HA3 GLY 111 far 0 63 0 - 7.1-39.2 QG1 VAL 118 - HA3 GLY 111 far 0 51 0 - 7.4-14.7 QD1 LEU 119 - HA3 GLY 17 far 0 78 0 - 7.4-35.4 QG1 VAL 57 - HA3 GLY 111 far 0 35 0 - 7.9-17.7 QG2 VAL 20 - HA3 GLY 111 far 0 37 0 - 8.4-36.7 QD1 LEU 49 - HA2 GLY 17 far 0 99 0 - 8.5-29.2 QD1 LEU 62 - HA3 GLY 17 far 0 99 0 - 8.5-32.5 QD1 LEU 119 - HA2 GLY 17 far 0 78 0 - 8.5-36.7 QD1 LEU 62 - HA2 GLY 17 far 0 99 0 - 8.9-33.8 QG1 VAL 118 - HA3 GLY 17 far 0 83 0 - 9.3-33.8 QD1 LEU 49 - HA3 GLY 17 far 0 99 0 - 9.7-27.9 QD1 LEU 22 - HA3 GLY 111 far 0 42 0 - 9.7-35.8 QD1 LEU 123 - HA2 GLY 17 far 0 99 0 - 9.9-32.7 QG1 VAL 118 - HA2 GLY 17 far 0 83 0 - 10.0-35.1 Violated in 3 structures by 0.10 A. Peak 10682 from cnoeabs.peaks (2.31, 1.17, 21.38 ppm; 3.59 A): 0 out of 15 assignments used, quality = 0.00: HG2 GLU 30 - QG2 THR 25 far 7 50 15 - 2.8-10.7 HG3 GLU 30 - QG2 THR 25 far 7 46 15 - 3.1-10.9 HG3 GLU 30 - QG2 THR 18 far 4 76 5 - 5.0-20.9 HG2 GLU 44 - QG2 THR 25 far 4 35 10 - 3.7-26.0 HG2 GLU 40 - QG2 THR 25 far 3 68 5 - 4.1-24.7 HG2 GLN 61 - QG2 THR 18 far 3 65 5 - 3.0-29.3 HG2 GLN 61 - QG2 THR 25 far 2 39 5 - 4.4-23.1 HG2 GLU 30 - QG2 THR 18 far 0 81 0 - 5.9-21.1 HG2 GLU 44 - QG2 THR 18 far 0 60 0 - 6.6-32.9 HG3 GLN 68 - QG2 THR 25 far 0 59 0 - 6.7-20.3 HB3 GLN 101 - QG2 THR 25 far 0 67 0 - 7.9-22.0 HB3 GLN 134 - QG2 THR 25 far 0 50 0 - 8.3-27.9 HG2 GLU 40 - QG2 THR 18 far 0 99 0 - 8.8-33.6 HG3 GLN 68 - QG2 THR 18 far 0 92 0 - 9.7-24.9 HB VAL 77 - QG2 THR 18 far 0 68 0 - 9.9-32.4 Violated in 15 structures by 1.54 A. Peak 10685 from cnoeabs.peaks (0.90, 4.29, 61.95 ppm; 4.89 A): 2 out of 7 assignments used, quality = 0.96: QG1 VAL 20 + HA THR 18 OK 94 100 100 94 2.8-6.1 10669/3.0=77...(9) QG2 VAL 20 + HA THR 18 OK 34 97 40 88 4.8-7.7 ~10669=51, ~10687=47...(8) QD1 LEU 22 - HA THR 18 lone 6 99 40 16 2.1-9.8 10698/226=9...(3) QD2 LEU 48 - HA THR 18 far 5 99 5 - 4.6-25.4 QD1 LEU 48 - HA THR 18 far 4 81 5 - 5.5-25.8 QG2 VAL 112 - HA THR 18 far 0 81 0 - 8.4-42.5 QD1 LEU 62 - HA THR 18 far 0 97 0 - 8.6-32.6 Violated in 7 structures by 0.16 A. Peak 10686 from cnoeabs.peaks (1.35, 4.29, 61.95 ppm; 4.00 A): 2 out of 12 assignments used, quality = 0.81: HG2 LYS 19 + HA THR 18 OK 74 98 80 95 4.0-7.3 6151/226=54...(19) QB ALA 21 + HA THR 18 OK 25 93 75 35 2.2-8.0 10683/3.0=12, 6151/226=9...(7) QB ALA 15 - HA THR 18 poor 13 65 20 - 3.8-9.2 QB ALA 28 - HA THR 18 far 6 63 10 - 4.2-20.7 HG2 LYS 24 - HA THR 18 far 4 73 5 - 3.6-15.8 QB ALA 12 - HA THR 18 lone 4 100 45 7 3.6-12.4 10683/3.0=2, 6151/226=2 HG2 LYS 36 - HA THR 18 far 4 71 5 - 4.1-34.5 QB ALA 110 - HA THR 18 far 3 65 5 - 4.4-44.9 HB2 LEU 42 - HA THR 18 far 0 76 0 - 7.1-34.7 QB ALA 29 - HA THR 18 far 0 71 0 - 8.1-20.6 QB ALA 108 - HA THR 18 far 0 60 0 - 8.4-40.4 QB ALA 46 - HA THR 18 far 0 93 0 - 9.8-28.7 Violated in 9 structures by 0.26 A. Peak 10687 from cnoeabs.peaks (0.90, 4.19, 69.66 ppm; 4.60 A): 1 out of 20 assignments used, quality = 0.80: QG1 VAL 20 + HB THR 18 OK 80 100 100 80 2.9-5.6 10685/3.0=41...(7) QD1 LEU 22 - HB THR 18 poor 20 99 20 - 3.6-11.8 QG2 VAL 20 - HB THR 18 poor 19 97 20 - 5.2-7.7 QD1 LEU 48 - HB THR 25 far 10 65 15 - 4.6-20.8 QD2 LEU 48 - HB THR 25 far 9 86 10 - 3.4-22.7 QD1 LEU 48 - HB THR 18 far 0 81 0 - 6.3-27.3 QD2 LEU 48 - HB THR 18 far 0 99 0 - 6.3-26.9 QD1 LEU 22 - HB THR 25 far 0 85 0 - 6.4-11.9 QG1 VAL 20 - HB THR 25 far 0 87 0 - 6.5-14.0 QG2 VAL 20 - HB THR 25 far 0 82 0 - 6.6-12.5 QD1 LEU 49 - HB THR 25 far 0 83 0 - 7.4-19.3 QD1 LEU 62 - HB THR 25 far 0 82 0 - 7.8-19.6 QG2 VAL 112 - HB THR 18 far 0 81 0 - 8.0-44.1 QD2 LEU 98 - HB THR 25 far 0 54 0 - 8.1-24.9 QG2 VAL 63 - HB THR 25 far 0 85 0 - 8.1-20.3 QD2 LEU 123 - HB THR 25 far 0 71 0 - 8.5-19.8 QG1 VAL 118 - HB THR 25 far 0 87 0 - 8.6-22.5 QD1 LEU 62 - HB THR 18 far 0 97 0 - 9.0-34.3 QG2 VAL 112 - HB THR 25 far 0 65 0 - 9.2-29.2 QG2 VAL 63 - HB THR 18 far 0 99 0 - 9.6-34.1 Violated in 17 structures by 0.47 A. Peak 10688 from cnoeabs.peaks (1.36, 4.19, 69.66 ppm; 5.39 A): 5 out of 29 assignments used, quality = 1.00: HG2 LYS 19 + HB THR 18 OK 100 100 100 100 3.0-6.2 6151/6146=75...(20) HG3 LYS 26 + HB THR 25 OK 61 73 85 99 2.7-7.8 4.9/6247=74...(37) HG2 LYS 24 + HB THR 25 OK 45 76 60 99 2.5-7.9 6234/6241=62, ~11128=29...(49) QB ALA 28 + HB THR 25 OK 37 69 80 67 2.0-7.9 ~10772=32, ~10779=15...(10) QB ALA 21 + HB THR 18 OK 34 76 80 55 4.0-8.8 10686/3.0=21...(5) HG3 LYS 31 - HB THR 25 poor 16 54 30 - 4.7-13.6 HG2 LYS 24 - HB THR 18 far 14 92 15 - 4.6-18.4 QB ALA 28 - HB THR 18 far 13 85 15 - 4.7-20.5 HG3 LYS 31 - HB THR 18 far 10 68 15 - 4.4-24.6 QB ALA 12 - HB THR 18 lone 7 100 50 12 1.9-13.2 10683/6140=3...(3) QB ALA 108 - HB THR 25 far 7 67 10 - 5.3-26.8 QB ALA 109 - HB THR 25 far 6 58 10 - 6.1-28.0 HG2 LYS 36 - HB THR 18 far 5 90 5 - 5.8-35.4 HG2 LYS 19 - HB THR 25 far 4 88 5 - 3.7-21.8 QB ALA 12 - HB THR 25 far 4 87 5 - 4.1-19.3 QB ALA 110 - HB THR 18 far 4 87 5 - 6.4-46.6 QB ALA 109 - HB THR 18 far 4 73 5 - 5.5-43.8 QB ALA 15 - HB THR 18 lone 4 87 55 8 3.9-8.9 10683/6140=6 QB ALA 110 - HB THR 25 far 4 71 5 - 6.1-31.1 QB ALA 21 - HB THR 25 far 3 60 5 - 5.2-12.8 QB ALA 29 - HB THR 25 lone 2 74 40 5 3.2-11.4 ~10779=2, ~10738=2 QB ALA 15 - HB THR 25 far 0 71 0 - 7.3-19.4 QB ALA 29 - HB THR 18 far 0 90 0 - 7.8-21.9 QB ALA 46 - HB THR 25 far 0 60 0 - 8.3-20.8 HG3 LYS 95 - HB THR 25 far 0 65 0 - 8.5-32.2 QB ALA 108 - HB THR 18 far 0 83 0 - 8.9-42.4 HB2 LEU 42 - HB THR 18 far 0 93 0 - 9.4-36.6 HG2 LYS 36 - HB THR 25 far 0 74 0 - 9.5-25.9 HG2 LYS 95 - HB THR 25 far 0 60 0 - 9.9-31.5 Violated in 0 structures by 0.00 A. Peak 10691 from cnoeabs.peaks (1.39, 4.20, 69.83 ppm; 4.39 A): 4 out of 28 assignments used, quality = 0.96: HG3 LYS 26 + HB THR 25 OK 76 99 80 96 2.7-7.8 6253/6247=65...(28) HG2 LYS 19 + HB THR 18 OK 53 60 90 98 3.0-6.2 4.9/6146=49...(17) HG2 LYS 24 + HB THR 25 OK 42 99 45 96 2.5-7.9 6234/6241=56...(45) QB ALA 28 + HB THR 25 OK 30 100 55 54 2.0-7.9 ~10772=21, ~10779=10...(9) HG3 LYS 31 - HB THR 25 poor 20 100 20 - 4.7-13.6 QB ALA 29 - HB THR 25 poor 20 99 20 - 3.2-11.4 HG3 LYS 31 - HB THR 18 far 9 87 10 - 4.4-24.6 QB ALA 28 - HB THR 18 far 9 87 10 - 4.7-20.5 QB ALA 16 - HB THR 18 lone 6 73 55 15 2.7-8.0 3.7/231=5, 10878/6140=3...(6) QB ALA 108 - HB THR 25 far 5 100 5 - 5.3-26.8 QB ALA 16 - HB THR 25 far 4 89 5 - 5.7-19.3 QB ALA 109 - HB THR 18 far 4 88 5 - 5.5-43.8 HG2 LYS 36 - HB THR 18 far 4 85 5 - 5.8-35.4 HG2 LYS 24 - HB THR 18 far 4 85 5 - 4.6-18.4 HG2 LYS 19 - HB THR 25 far 4 76 5 - 3.7-21.8 QB ALA 12 - HB THR 25 far 3 63 5 - 4.1-19.3 QB ALA 15 - HB THR 18 lone 2 87 50 4 3.9-8.9 10683/6140=3 QB ALA 12 - HB THR 18 lone 1 49 45 6 1.9-13.2 10683/6140=1, 6151/6146=1 QB ALA 109 - HB THR 25 far 0 100 0 - 6.1-28.0 QB ALA 110 - HB THR 25 far 0 100 0 - 6.1-31.1 QB ALA 110 - HB THR 18 far 0 87 0 - 6.4-46.6 QB ALA 15 - HB THR 25 far 0 100 0 - 7.3-19.4 QB ALA 29 - HB THR 18 far 0 85 0 - 7.8-21.9 HG3 LYS 95 - HB THR 25 far 0 100 0 - 8.5-32.2 QB ALA 108 - HB THR 18 far 0 87 0 - 8.9-42.4 HB2 LEU 42 - HB THR 18 far 0 84 0 - 9.4-36.6 HG2 LYS 36 - HB THR 25 far 0 99 0 - 9.5-25.9 HG2 LYS 95 - HB THR 25 far 0 100 0 - 9.9-31.5 Violated in 0 structures by 0.00 A. Peak 10692 from cnoeabs.peaks (1.64, 4.20, 69.83 ppm; 4.53 A): 6 out of 23 assignments used, quality = 0.91: HD3 LYS 19 + HB THR 18 OK 56 79 75 94 4.4-6.7 6.2/6146=35...(25) HD2 LYS 19 + HB THR 18 OK 33 79 45 94 3.1-7.2 6.2/6146=35...(25) HD2 LYS 26 + HB THR 25 OK 30 73 45 92 3.0-8.4 5.7/6247=43...(33) HD3 LYS 26 + HB THR 25 OK 25 78 35 92 4.6-8.0 5.7/6247=43...(36) HD2 LYS 24 + HB THR 25 OK 25 71 40 89 3.4-9.2 3.5/10693=17...(42) HD3 LYS 24 + HB THR 25 OK 23 73 35 89 2.1-9.1 3.5/10693=17...(42) HD2 LYS 31 - HB THR 25 far 11 71 15 - 5.8-14.8 HG LEU 22 - HB THR 18 far 10 69 15 - 3.7-13.5 HD3 LYS 24 - HB THR 18 far 9 58 15 - 4.2-17.6 HD2 LYS 24 - HB THR 18 far 6 56 10 - 5.3-17.6 HG3 ARG 23 - HB THR 25 far 5 97 5 - 4.9-12.2 HD2 LYS 19 - HB THR 25 far 5 95 5 - 2.2-20.0 HD3 LYS 19 - HB THR 25 far 5 95 5 - 2.7-21.7 HB3 LEU 22 - HB THR 25 far 4 85 5 - 5.3-11.6 HD3 LYS 31 - HB THR 25 far 4 73 5 - 5.0-14.9 HB3 LEU 22 - HB THR 18 far 0 69 0 - 6.1-12.7 HD2 LYS 31 - HB THR 18 far 0 56 0 - 6.7-23.8 HG3 ARG 23 - HB THR 18 far 0 83 0 - 6.7-13.9 HD3 LYS 31 - HB THR 18 far 0 58 0 - 6.8-25.0 HB2 LEU 98 - HB THR 25 far 0 90 0 - 7.3-32.0 HG LEU 22 - HB THR 25 far 0 85 0 - 7.3-13.5 HD3 LYS 26 - HB THR 18 far 0 63 0 - 9.6-23.0 HG LEU 62 - HB THR 25 far 0 96 0 - 9.8-23.3 Violated in 4 structures by 0.03 A. Peak 10693 from cnoeabs.peaks (1.76, 4.20, 69.83 ppm; 4.26 A): 3 out of 15 assignments used, quality = 0.96: HB2 LYS 19 + HB THR 18 OK 73 86 85 99 3.8-5.8 6149/6146=76, ~10697=42...(29) HB2 LYS 26 + HB THR 25 OK 68 99 70 98 3.7-7.1 6250/6247=85...(29) HB2 LYS 24 + HB THR 25 OK 55 98 60 94 4.7-7.2 6232/6241=64...(31) HB2 LYS 24 - HB THR 18 far 13 84 15 - 2.3-15.9 HB2 ARG 23 - HB THR 25 far 5 100 5 - 4.6-10.0 HB2 LYS 19 - HB THR 25 far 5 99 5 - 2.8-20.1 HB2 ARG 23 - HB THR 18 far 4 88 5 - 4.3-13.8 HB2 LYS 31 - HB THR 18 far 4 79 5 - 5.0-26.4 HB2 LEU 48 - HB THR 25 far 4 71 5 - 2.0-28.6 HB2 LYS 31 - HB THR 25 lone 1 95 25 4 3.7-16.5 639/10691=2 HB3 LEU 98 - HB THR 25 far 0 60 0 - 8.5-30.5 HB2 LEU 43 - HB THR 25 far 0 60 0 - 8.7-29.4 HB2 LYS 26 - HB THR 18 far 0 86 0 - 9.0-23.2 HB2 LYS 39 - HB THR 18 far 0 87 0 - 9.2-40.9 HB2 LEU 48 - HB THR 18 far 0 56 0 - 9.2-34.8 Violated in 10 structures by 0.06 A. Peak 10694 from cnoeabs.peaks (2.02, 4.20, 69.83 ppm; 4.82 A): 0 out of 19 assignments used, quality = 0.00: HB3 MET 11 - HB THR 18 far 13 88 15 - 4.9-17.6 HB3 GLU 30 - HB THR 25 far 10 100 10 - 6.0-14.2 HB VAL 20 - HB THR 18 far 10 65 15 - 4.6-8.1 HG2 PRO 58 - HB THR 18 far 9 87 10 - 3.1-39.3 HB2 GLU 44 - HB THR 25 far 5 100 5 - 4.2-29.1 QE MET 11 - HB THR 18 far 4 71 5 - 5.3-17.4 HB3 GLU 30 - HB THR 18 far 0 87 0 - 6.8-27.4 HB VAL 20 - HB THR 25 far 0 81 0 - 7.1-14.8 HB3 MET 11 - HB THR 25 far 0 100 0 - 7.2-24.8 HB VAL 63 - HB THR 25 far 0 100 0 - 7.4-22.8 HG2 PRO 58 - HB THR 25 far 0 100 0 - 7.5-29.8 HG2 PRO 56 - HB THR 18 far 0 76 0 - 7.6-42.9 HB3 PRO 56 - HB THR 18 far 0 63 0 - 7.8-44.1 QE MET 11 - HB THR 25 far 0 87 0 - 8.0-21.5 HB2 GLU 44 - HB THR 18 far 0 88 0 - 8.1-36.7 HB3 GLU 40 - HB THR 25 far 0 95 0 - 8.3-31.2 HB3 GLU 55 - HB THR 18 far 0 69 0 - 8.7-40.3 HG3 PRO 56 - HB THR 18 far 0 76 0 - 9.2-44.4 HB3 LEU 53 - HB THR 25 far 0 60 0 - 9.9-26.0 Violated in 14 structures by 0.81 A. Peak 10695 from cnoeabs.peaks (2.34, 4.20, 69.83 ppm; 5.17 A): 2 out of 9 assignments used, quality = 0.50: HG3 GLN 27 + HB THR 25 OK 31 81 45 86 5.3-8.7 10725/2.1=68, ~10726=26...(7) HG2 GLN 27 + HB THR 25 OK 27 92 35 83 4.8-10.1 ~10725=67, ~10726=26...(7) HG3 GLU 30 - HB THR 25 poor 20 99 20 - 5.3-12.4 HG2 GLU 44 - HB THR 25 far 10 100 10 - 4.3-30.9 HG2 GLU 44 - HB THR 18 far 4 88 5 - 6.4-38.1 HG3 GLU 30 - HB THR 18 far 4 86 5 - 6.0-24.7 HG2 GLU 40 - HB THR 25 far 0 76 0 - 6.8-29.9 HG2 GLU 102 - HB THR 25 far 0 81 0 - 8.4-32.9 HG3 GLN 68 - HB THR 25 far 0 93 0 - 9.2-24.3 Violated in 18 structures by 0.97 A. Peak 10696 from cnoeabs.peaks (1.65, 1.17, 21.38 ppm; 3.27 A): 3 out of 34 assignments used, quality = 0.91: HD2 LYS 19 + QG2 THR 18 OK 67 100 95 71 1.9-5.0 3.9/10697=24...(18) HD3 LYS 19 + QG2 THR 18 OK 64 100 90 71 3.3-5.2 3.9/10697=24...(18) HD3 LYS 24 + QG2 THR 25 OK 24 62 60 66 3.2-8.2 3.5/10697=12...(21) HD2 LYS 24 - QG2 THR 25 poor 18 60 45 66 2.1-6.9 3.5/10697=12, 555/6242=9...(21) HD2 LYS 24 - QG2 THR 18 far 14 93 15 - 3.2-14.1 HG LEU 22 - QG2 THR 18 poor 11 57 20 - 3.5-10.6 HD3 LYS 24 - QG2 THR 18 far 9 95 10 - 2.0-14.0 HD2 LYS 26 - QG2 THR 25 far 9 62 15 - 2.9-8.1 HD3 LYS 26 - QG2 THR 25 far 6 64 10 - 4.2-7.5 HB3 LEU 22 - QG2 THR 18 far 6 57 10 - 4.4-10.7 HD2 LYS 19 - QG2 THR 25 far 4 70 5 - 3.0-16.4 HD3 LYS 19 - QG2 THR 25 far 4 70 5 - 3.8-17.3 HD3 LYS 31 - QG2 THR 25 far 3 62 5 - 4.4-12.2 HD2 LYS 36 - QG2 THR 25 far 2 46 5 - 4.7-19.4 HB3 LEU 22 - QG2 THR 25 far 0 33 0 - 5.0-9.9 HD2 LYS 31 - QG2 THR 25 far 0 60 0 - 5.2-12.3 HD3 LYS 36 - QG2 THR 25 far 0 46 0 - 5.3-20.0 HD2 LYS 31 - QG2 THR 18 far 0 93 0 - 5.3-21.3 HG3 ARG 23 - QG2 THR 18 far 0 81 0 - 5.4-11.2 HG3 ARG 23 - QG2 THR 25 far 0 50 0 - 5.5-9.4 HD3 LYS 31 - QG2 THR 18 far 0 95 0 - 6.0-21.7 HG LEU 22 - QG2 THR 25 far 0 33 0 - 6.2-10.7 HB2 LEU 98 - QG2 THR 25 far 0 69 0 - 7.2-25.7 HB2 LEU 69 - QG2 THR 25 far 0 48 0 - 7.2-17.9 HG LEU 43 - QG2 THR 25 far 0 69 0 - 7.4-25.7 HG LEU 62 - QG2 THR 25 far 0 70 0 - 7.7-18.8 HD3 LYS 26 - QG2 THR 18 far 0 97 0 - 8.0-18.6 HD3 LYS 36 - QG2 THR 18 far 0 76 0 - 8.1-29.3 HD2 LYS 36 - QG2 THR 18 far 0 76 0 - 8.2-28.7 HD2 LYS 26 - QG2 THR 18 far 0 95 0 - 8.8-18.0 HG LEU 62 - QG2 THR 18 far 0 100 0 - 9.3-31.7 HB2 LEU 123 - QG2 THR 25 far 0 70 0 - 9.7-20.5 HD3 LYS 95 - QG2 THR 25 far 0 63 0 - 9.8-26.5 HD2 LYS 95 - QG2 THR 25 far 0 68 0 - 9.8-27.6 Violated in 8 structures by 0.05 A. Peak 10697 from cnoeabs.peaks (1.83, 1.17, 21.38 ppm; 3.60 A): 2 out of 15 assignments used, quality = 0.79: HB3 LYS 19 + QG2 THR 18 OK 70 85 90 91 4.0-5.6 3.9/6147=30...(25) HB3 LYS 24 + QG2 THR 25 OK 30 56 60 88 2.9-6.4 6233/6242=40...(31) HB3 LYS 26 - QG2 THR 25 poor 19 63 30 - 3.1-6.8 HB3 LYS 24 - QG2 THR 18 poor 18 89 20 - 2.8-13.9 HB3 LYS 31 - QG2 THR 25 poor 11 53 20 - 1.8-11.7 HB3 LYS 31 - QG2 THR 18 far 8 85 10 - 4.2-22.8 HB3 LYS 19 - QG2 THR 25 far 5 53 10 - 2.9-15.5 HB2 CYS 79 - QG2 THR 18 far 5 99 5 - 3.9-33.2 HB3 ARG 23 - QG2 THR 25 far 3 67 5 - 4.8-7.8 HB ILE 32 - QG2 THR 25 far 3 62 5 - 3.9-14.7 HB3 ARG 23 - QG2 THR 18 far 0 99 0 - 5.2-11.5 HB2 LYS 36 - QG2 THR 25 far 0 60 0 - 5.4-22.8 HB3 LYS 26 - QG2 THR 18 far 0 96 0 - 7.1-19.0 HB2 LYS 36 - QG2 THR 18 far 0 93 0 - 7.4-32.1 HB ILE 32 - QG2 THR 18 far 0 95 0 - 7.6-24.6 Violated in 17 structures by 0.41 A. Peak 10703 from cnoeabs.peaks (0.89, 1.38, 24.62 ppm; 3.82 A): 1 out of 39 assignments used, quality = 0.36: QG1 VAL 20 + HG2 LYS 19 OK 36 65 55 99 4.2-7.1 10712/1.8=81...(18) QG2 VAL 20 - HG2 LYS 24 far 15 100 15 - 2.8-9.6 QG2 VAL 20 - HG3 LYS 26 far 10 99 10 - 4.4-13.8 QD1 LEU 22 - HG2 LYS 24 poor 9 100 30 31 3.8-8.2 10733/6222=16...(7) QG1 VAL 20 - HG2 LYS 24 far 9 92 10 - 2.0-12.0 QD2 LEU 48 - HG3 LYS 26 far 9 88 10 - 4.5-22.2 QG1 VAL 20 - HG3 LYS 31 far 7 74 10 - 3.8-18.0 QD1 LEU 22 - HG2 LYS 19 poor 7 77 30 28 4.1-11.5 409/4.2=9, 10720/3.0=8...(6) QG1 VAL 118 - HG2 LYS 24 far 5 99 5 - 3.9-25.9 QD2 LEU 48 - HG2 LYS 24 far 5 90 5 - 5.1-22.2 QG2 VAL 20 - HG3 LYS 31 far 4 86 5 - 4.6-17.3 QG2 VAL 20 - HG2 LYS 36 far 4 77 5 - 4.8-22.1 QG1 VAL 20 - HG2 LYS 36 far 3 65 5 - 2.4-24.4 QD2 LEU 69 - HG2 LYS 36 far 3 51 5 - 4.4-12.9 QG1 VAL 20 - HG3 LYS 26 far 0 89 0 - 5.5-16.0 QD2 LEU 98 - HG2 LYS 24 far 0 90 0 - 5.5-29.1 QG2 VAL 20 - HG2 LYS 19 far 0 77 0 - 5.8-7.7 QD1 LEU 49 - HG3 LYS 26 far 0 80 0 - 6.1-18.6 QD2 LEU 123 - HG3 LYS 26 far 0 97 0 - 6.4-18.3 QG2 VAL 63 - HG3 LYS 26 far 0 84 0 - 6.5-18.2 QD2 LEU 48 - HG2 LYS 19 far 0 64 0 - 6.5-28.5 QD2 LEU 48 - HG2 LYS 36 far 0 63 0 - 6.7-16.5 QD1 LEU 62 - HG3 LYS 26 far 0 78 0 - 6.8-18.8 QD2 LEU 48 - HG3 LYS 31 far 0 72 0 - 7.0-20.1 QD1 LEU 22 - HG3 LYS 26 far 0 99 0 - 7.1-12.4 QG2 VAL 63 - HG2 LYS 24 far 0 87 0 - 7.2-24.5 QD2 LEU 69 - HG3 LYS 31 far 0 59 0 - 8.4-16.2 QD2 LEU 69 - HG3 LYS 26 far 0 73 0 - 8.4-18.2 QD1 LEU 22 - HG3 LYS 31 far 0 86 0 - 8.4-18.1 QD2 LEU 98 - HG3 LYS 26 far 0 88 0 - 8.4-24.9 QD1 LEU 62 - HG2 LYS 24 far 0 81 0 - 8.7-24.5 QD2 LEU 123 - HG2 LYS 36 far 0 73 0 - 8.8-19.7 QD1 LEU 49 - HG2 LYS 36 far 0 57 0 - 9.1-16.9 QG1 VAL 118 - HG3 LYS 26 far 0 97 0 - 9.1-20.0 QD1 LEU 62 - HG2 LYS 19 far 0 55 0 - 9.2-33.4 QD1 LEU 22 - HG2 LYS 36 far 0 76 0 - 9.2-27.5 QD1 LEU 49 - HG2 LYS 19 far 0 57 0 - 9.2-30.5 QG2 VAL 63 - HG3 LYS 31 far 0 69 0 - 9.3-17.8 QD2 LEU 123 - HG2 LYS 19 far 0 74 0 - 9.8-31.3 Violated in 20 structures by 1.46 A. Peak 10705 from cnoeabs.peaks (0.93, 2.96, 41.80 ppm; 3.99 A): 2 out of 86 assignments used, quality = 0.58: QG2 ILE 37 + HE2 LYS 36 OK 39 96 45 89 1.9-8.4 10913/4.9=34...(17) QG2 ILE 37 + HE3 LYS 36 OK 31 99 35 90 3.4-7.9 10913/4.9=34...(16) QD2 LEU 48 - HE3 LYS 36 far 12 77 15 - 4.0-14.8 QG1 VAL 20 - HE2 LYS 24 far 10 66 15 - 5.0-13.1 QD1 LEU 48 - HE2 LYS 24 far 9 92 10 - 3.4-22.8 QD2 LEU 48 - HE3 LYS 26 far 8 77 10 - 3.3-24.1 QD2 LEU 48 - HE2 LYS 26 far 8 77 10 - 3.4-23.9 QG1 VAL 20 - HE2 LYS 31 far 8 76 10 - 3.2-18.5 QG1 VAL 20 - HE3 LYS 19 far 8 76 10 - 4.6-8.5 QG1 VAL 20 - HE3 LYS 31 far 7 75 10 - 2.3-19.1 QG1 VAL 20 - HE3 LYS 24 far 7 75 10 - 3.6-13.1 QD2 LEU 48 - HE2 LYS 36 far 7 72 10 - 5.0-13.5 QD1 LEU 48 - HE3 LYS 19 far 5 99 5 - 4.8-29.6 QD1 LEU 48 - HE3 LYS 24 far 5 98 5 - 2.0-21.4 QD1 LEU 48 - HE3 LYS 36 far 5 98 5 - 3.8-15.1 QD1 LEU 48 - HE2 LYS 26 far 5 98 5 - 5.0-22.2 QD1 LEU 48 - HE2 LYS 19 far 5 96 5 - 5.4-28.2 QD1 LEU 48 - HE2 LYS 36 far 5 95 5 - 4.7-13.9 QG1 VAL 57 - HE3 LYS 19 far 4 87 5 - 2.5-32.8 QG1 VAL 57 - HE2 LYS 19 far 4 83 5 - 3.8-32.7 QD2 LEU 48 - HE3 LYS 24 far 4 77 5 - 3.5-22.4 QD2 LEU 48 - HE3 LYS 31 far 4 77 5 - 4.9-21.8 QG1 VAL 20 - HE3 LYS 36 far 4 75 5 - 3.7-23.4 QG1 VAL 20 - HE2 LYS 26 far 4 75 5 - 4.9-17.5 QG1 VAL 20 - HE2 LYS 19 far 4 72 5 - 4.0-8.3 QG1 VAL 20 - HE2 LYS 36 far 4 70 5 - 4.6-23.1 QD2 LEU 48 - HE2 LYS 24 far 3 69 5 - 4.2-23.8 QG1 VAL 105 - HE3 LYS 26 far 3 59 5 - 1.9-24.1 QG1 VAL 105 - HE2 LYS 26 far 3 59 5 - 3.3-24.0 QD1 LEU 48 - HE3 LYS 26 far 0 98 0 - 5.6-22.4 QG2 ILE 37 - HE2 LYS 24 far 0 93 0 - 5.8-24.0 QG1 VAL 20 - HE3 LYS 26 far 0 75 0 - 5.8-17.3 QG2 VAL 112 - HE3 LYS 26 far 0 98 0 - 6.0-28.0 QD2 LEU 48 - HE2 LYS 31 far 0 78 0 - 6.4-20.8 QG1 VAL 57 - HE2 LYS 26 far 0 86 0 - 6.5-25.1 QD1 LEU 48 - HE3 LYS 31 far 0 98 0 - 6.6-20.9 QG2 ILE 37 - HE3 LYS 26 far 0 99 0 - 6.7-21.0 QG2 ILE 37 - HE3 LYS 24 far 0 99 0 - 6.8-24.6 QD2 LEU 48 - HE3 LYS 19 far 0 78 0 - 6.8-29.8 QD1 LEU 49 - HE2 LYS 26 far 0 86 0 - 6.9-20.2 QG1 VAL 57 - HE3 LYS 24 far 0 86 0 - 6.9-25.2 QD1 LEU 123 - HE2 LYS 26 far 0 100 0 - 7.0-20.4 QG2 VAL 112 - HE2 LYS 26 far 0 98 0 - 7.1-28.2 QG2 ILE 37 - HE2 LYS 26 far 0 99 0 - 7.1-21.6 QG2 ILE 37 - HE2 LYS 31 far 0 100 0 - 7.3-14.8 QG1 VAL 57 - HE2 LYS 24 far 0 77 0 - 7.4-25.6 QG2 ILE 37 - HE3 LYS 31 far 0 99 0 - 7.4-15.5 QD1 LEU 48 - HE2 LYS 31 far 0 99 0 - 7.4-21.3 QG2 VAL 112 - HE3 LYS 19 far 0 99 0 - 7.4-41.9 QD2 LEU 48 - HE2 LYS 19 far 0 74 0 - 7.5-28.4 QG1 VAL 57 - HE3 LYS 26 far 0 86 0 - 7.6-25.4 QG2 VAL 63 - HE2 LYS 24 far 0 73 0 - 7.7-25.3 QG1 VAL 126 - HE2 LYS 36 far 0 63 0 - 7.8-14.9 QG1 VAL 126 - HE3 LYS 36 far 0 67 0 - 7.9-16.2 QD1 LEU 49 - HE3 LYS 36 far 0 86 0 - 8.0-16.0 QG2 VAL 63 - HE3 LYS 26 far 0 82 0 - 8.1-17.5 QD1 LEU 62 - HE2 LYS 26 far 0 88 0 - 8.2-18.5 QD1 LEU 49 - HE3 LYS 26 far 0 86 0 - 8.2-20.7 QG2 VAL 63 - HE3 LYS 31 far 0 82 0 - 8.2-18.7 QD1 LEU 49 - HE2 LYS 36 far 0 81 0 - 8.2-14.6 QD1 LEU 119 - HE3 LYS 24 far 0 96 0 - 8.2-28.7 QG2 VAL 112 - HE2 LYS 19 far 0 96 0 - 8.3-43.1 QD1 LEU 123 - HE3 LYS 26 far 0 100 0 - 8.3-21.1 QG2 VAL 63 - HE2 LYS 26 far 0 82 0 - 8.4-18.1 QD1 LEU 62 - HE3 LYS 26 far 0 88 0 - 8.6-18.7 QD1 LEU 119 - HE2 LYS 24 far 0 88 0 - 8.7-27.7 QG2 VAL 63 - HE3 LYS 24 far 0 82 0 - 8.8-26.5 QD1 LEU 49 - HE3 LYS 24 far 0 86 0 - 8.9-22.7 QD1 LEU 62 - HE2 LYS 24 far 0 79 0 - 9.0-25.3 QD1 LEU 62 - HE3 LYS 19 far 0 89 0 - 9.0-32.3 QD1 LEU 49 - HE3 LYS 19 far 0 87 0 - 9.4-31.5 QG1 VAL 57 - HE2 LYS 36 far 0 81 0 - 9.4-19.8 QG1 VAL 126 - HE2 LYS 26 far 0 67 0 - 9.4-18.3 QG2 VAL 63 - HE2 LYS 31 far 0 83 0 - 9.5-18.7 QG2 ILE 37 - HE3 LYS 86 far 0 98 0 - 9.5-17.7 QG1 VAL 57 - HE3 LYS 36 far 0 86 0 - 9.5-21.0 QD1 LEU 119 - HE3 LYS 26 far 0 96 0 - 9.6-21.2 QD1 LEU 49 - HE2 LYS 24 far 0 77 0 - 9.6-23.3 QD1 LEU 62 - HE3 LYS 31 far 0 88 0 - 9.7-20.6 QD1 LEU 62 - HE3 LYS 24 far 0 88 0 - 9.8-26.3 QG1 VAL 105 - HE3 LYS 31 far 0 59 0 - 9.8-23.8 QG2 VAL 63 - HE3 LYS 36 far 0 82 0 - 9.8-19.1 QD1 LEU 123 - HE3 LYS 36 far 0 100 0 - 9.9-20.3 QG2 VAL 63 - HE3 LYS 19 far 0 83 0 - 9.9-32.1 QD1 LEU 62 - HE3 LYS 36 far 0 88 0 - 10.0-19.3 QG2 ILE 37 - HE2 LYS 19 far 0 97 0 - 10.0-28.8 Violated in 16 structures by 1.14 A. Peak 10706 from cnoeabs.peaks (1.76, 3.99, 62.40 ppm; 4.75 A): 3 out of 22 assignments used, quality = 0.99: HB2 LYS 19 + HA VAL 20 OK 95 95 100 100 4.1-4.8 6161/3.0=78, ~6162=58...(24) HB2 ARG 23 + HA VAL 20 OK 70 99 75 94 3.0-9.7 6203/11783=60...(18) HB2 LEU 48 + HB3 SER 51 OK 37 58 65 98 5.5-6.4 ~1492=54, ~1615=53...(13) HB2 LYS 24 - HA VAL 20 far 9 90 10 - 5.5-11.5 HB2 LYS 31 - HA VAL 20 far 8 83 10 - 2.7-22.7 HB3 LEU 98 - HB3 SER 94 poor 7 26 25 - 5.1-8.4 HB2 LYS 26 - HA VAL 20 far 5 95 5 - 2.6-18.0 HB2 LEU 48 - HA VAL 20 far 4 87 5 - 5.3-30.6 HB2 ARG 23 - HB3 SER 51 far 4 71 5 - 5.4-30.3 HB2 LYS 19 - HB3 SER 51 far 3 65 5 - 3.6-37.2 HB2 LYS 26 - HB3 SER 51 far 3 65 5 - 4.7-28.2 HB2 LYS 24 - HB3 SER 51 far 0 61 0 - 6.4-32.0 HB2 LEU 48 - HA SER 50 far 0 78 0 - 7.2-8.4 HG13 ILE 129 - HB3 SER 94 far 0 30 0 - 7.2-8.7 HB2 LYS 26 - HA SER 50 far 0 86 0 - 7.9-24.5 HB2 LYS 19 - HA SER 50 far 0 86 0 - 8.5-36.5 HG13 ILE 129 - HB2 SER 124 far 0 74 0 - 8.6-11.7 HB2 ARG 23 - HA SER 50 far 0 92 0 - 8.8-27.9 HG LEU 100 - HA SER 50 far 0 85 0 - 9.1-15.0 HB3 LEU 98 - HB2 SER 124 far 0 68 0 - 9.7-13.1 HB3 LEU 98 - HA VAL 20 far 0 78 0 - 9.7-40.5 HB2 LYS 24 - HB3 SER 94 far 0 32 0 - 9.9-34.2 Violated in 0 structures by 0.00 A. Peak 10707 from cnoeabs.peaks (1.83, 3.99, 62.40 ppm; 4.83 A): 5 out of 20 assignments used, quality = 1.00: HB3 LYS 19 + HA VAL 20 OK 89 89 100 100 4.3-5.3 6162/3.0=76, ~6161=59...(23) HB3 LEU 123 + HB2 SER 124 OK 72 78 95 98 4.5-6.9 4.6/7769=63, ~10372=53...(11) HB3 LEU 123 + HA SER 50 OK 66 80 85 97 4.3-7.1 3.2/11874=61...(22) HB3 ARG 23 + HA VAL 20 OK 52 99 55 95 3.8-10.9 6204/11783=61, 11943=36...(18) HB VAL 93 + HB3 SER 94 OK 39 41 95 100 4.5-6.7 7281/3.6=78, ~11420=71...(15) HB3 LYS 24 - HA VAL 20 poor 18 92 20 - 4.8-10.4 HB3 LYS 31 - HA VAL 20 far 9 89 10 - 3.0-22.1 HB3 LYS 26 - HA VAL 20 far 5 97 5 - 2.6-18.2 HB3 ARG 23 - HB3 SER 51 far 4 72 5 - 5.7-30.9 HB3 LYS 26 - HB3 SER 51 far 3 69 5 - 5.1-29.6 HB3 LYS 19 - HB3 SER 51 far 3 59 5 - 5.3-37.6 HB3 LYS 24 - HB3 SER 51 far 0 62 0 - 6.7-30.2 HB2 LYS 36 - HA VAL 20 far 0 96 0 - 7.2-30.5 HB ILE 32 - HA VAL 20 far 0 97 0 - 8.1-22.1 HB3 LYS 24 - HB3 SER 94 far 0 33 0 - 8.4-33.9 HB3 LYS 26 - HA SER 50 far 0 90 0 - 8.8-26.2 HB3 ARG 23 - HA SER 50 far 0 93 0 - 8.9-28.3 HB2 LEU 100 - HB2 SER 124 far 0 91 0 - 9.4-11.9 HB3 LEU 123 - HB3 SER 51 far 0 60 0 - 9.5-12.6 HB3 LYS 19 - HA SER 50 far 0 80 0 - 9.9-36.6 Violated in 0 structures by 0.00 A. Peak 10708 from cnoeabs.peaks (1.57, 3.99, 62.40 ppm; 4.77 A): 4 out of 15 assignments used, quality = 1.00: HG LEU 49 + HA SER 50 OK 94 94 100 100 3.6-5.0 6620/2.9=44, 2.1/9218=38...(40) HG LEU 123 + HA SER 50 OK 75 94 80 99 2.7-6.8 2.1/11874=67...(27) HG2 ARG 23 + HA VAL 20 OK 71 100 75 95 2.0-9.2 6205/11783=53...(14) HB2 LEU 22 + HA VAL 20 OK 50 68 80 91 3.8-8.9 4.0/10724=54...(11) HG LEU 123 - HB2 SER 124 far 9 92 10 - 4.9-8.1 HB2 LEU 119 - HA SER 50 far 6 62 10 - 6.0-13.0 HG LEU 49 - HB3 SER 51 far 0 74 0 - 6.7-7.4 HG2 ARG 23 - HB3 SER 51 far 0 73 0 - 7.8-32.4 HG LEU 123 - HB3 SER 51 far 0 73 0 - 7.9-11.6 HB2 LEU 119 - HB2 SER 124 far 0 61 0 - 8.3-10.7 HB2 LEU 22 - HB3 SER 51 far 0 43 0 - 8.8-31.5 HG LEU 49 - HA VAL 20 far 0 100 0 - 9.1-29.8 HG13 ILE 37 - HA VAL 20 far 0 98 0 - 9.2-29.6 HG LEU 49 - HB2 SER 124 far 0 93 0 - 9.6-13.3 HB2 LEU 119 - HB3 SER 51 far 0 45 0 - 9.8-17.8 Violated in 0 structures by 0.00 A. Peak 10709 from cnoeabs.peaks (1.34, 3.99, 62.40 ppm; 4.58 A): 2 out of 11 assignments used, quality = 1.00: QB ALA 21 + HA VAL 20 OK 100 100 100 100 3.8-5.0 6181/6176=96...(21) QB ALA 46 + HA SER 50 OK 66 94 75 93 4.9-6.4 9213/2.9=41...(16) QB ALA 12 - HA VAL 20 far 9 90 10 - 4.5-16.0 HG2 LYS 19 - HB3 SER 51 far 3 52 5 - 4.8-39.5 HG2 LYS 19 - HA VAL 20 far 0 81 0 - 6.1-6.8 QB ALA 21 - HB3 SER 51 far 0 74 0 - 6.7-29.4 QB ALA 12 - HB3 SER 51 far 0 61 0 - 7.4-32.2 QB ALA 46 - HB3 SER 51 far 0 74 0 - 7.5-8.8 QB ALA 46 - HB2 SER 124 far 0 93 0 - 8.1-10.8 QB ALA 21 - HA SER 50 far 0 94 0 - 9.8-27.9 HG2 LYS 19 - HA SER 50 far 0 72 0 - 10.0-38.8 Violated in 8 structures by 0.03 A. Peak 10711 from cnoeabs.peaks (1.36, 2.00, 32.56 ppm; 4.48 A): 1 out of 13 assignments used, quality = 0.80: QB ALA 21 + HB VAL 20 OK 80 81 100 99 3.4-5.6 2.9/6177=80, ~6176=41...(11) HG2 LYS 24 - HB VAL 20 poor 18 89 20 - 2.1-12.3 QB ALA 15 - HB VAL 20 far 12 83 15 - 4.2-11.5 QB ALA 28 - HB VAL 20 far 8 81 10 - 4.8-16.8 QB ALA 12 - HB VAL 20 far 5 100 5 - 2.3-15.3 HG2 LYS 36 - HB VAL 20 far 4 87 5 - 5.0-27.9 HG3 LYS 26 - HB VAL 20 far 4 85 5 - 5.1-17.0 QB ALA 110 - HB VAL 20 far 4 83 5 - 4.3-42.0 QB ALA 108 - HB VAL 20 far 4 78 5 - 5.8-37.7 HG3 LYS 31 - HB VAL 20 far 3 63 5 - 3.2-21.1 QB ALA 29 - HB VAL 20 far 0 87 0 - 6.1-18.6 HG2 LYS 19 - HB VAL 20 far 0 100 0 - 6.1-8.8 QB ALA 109 - HB VAL 20 far 0 68 0 - 6.7-39.3 Violated in 12 structures by 0.26 A. Peak 10712 from cnoeabs.peaks (1.80, 0.91, 20.62 ppm; 3.41 A): 1 out of 10 assignments used, quality = 0.53: HB3 LYS 19 + QG1 VAL 20 OK 53 93 60 95 3.7-5.8 6162/348=42...(17) HB3 LYS 24 - QG1 VAL 20 far 14 90 15 - 3.8-11.4 HB3 LYS 31 - QG1 VAL 20 far 9 93 10 - 2.7-18.6 HB3 ARG 23 - QG1 VAL 20 far 7 71 10 - 3.6-9.8 HB2 LEU 48 - QG1 VAL 20 far 4 89 5 - 3.2-24.6 HB2 LYS 36 - QG1 VAL 20 far 4 85 5 - 4.1-25.9 HB3 LYS 26 - QG1 VAL 20 far 4 81 5 - 4.7-15.8 HB ILE 32 - QG1 VAL 20 far 0 83 0 - 5.9-18.9 HG LEU 100 - QG1 VAL 20 far 0 81 0 - 9.4-29.2 HB3 LEU 98 - QG1 VAL 20 far 0 95 0 - 9.7-35.8 Violated in 20 structures by 1.29 A. Peak 10713 from cnoeabs.peaks (1.60, 0.91, 20.62 ppm; 3.35 A): 0 out of 7 assignments used, quality = 0.00: HG3 ARG 23 - QG1 VAL 20 poor 14 60 35 66 1.9-9.3 ~11844=11, ~11960=10...(23) HG2 ARG 23 - QG1 VAL 20 poor 13 81 25 65 2.4-8.1 ~11844=11, ~11960=10...(18) HG LEU 22 - QG1 VAL 20 far 12 83 15 - 4.3-8.0 HB3 LEU 22 - QG1 VAL 20 far 8 83 10 - 3.7-9.4 HG LEU 49 - QG1 VAL 20 far 0 73 0 - 5.6-25.4 HG LEU 123 - QG1 VAL 20 far 0 60 0 - 8.3-30.7 HG LEU 122 - QG1 VAL 20 far 0 99 0 - 9.8-30.8 Violated in 18 structures by 0.97 A. Peak 10714 from cnoeabs.peaks (1.37, 0.91, 20.62 ppm; 3.16 A): 0 out of 14 assignments used, quality = 0.00: HG2 LYS 19 - QG1 VAL 20 far 15 97 15 - 4.2-7.1 QB ALA 16 - QG1 VAL 20 poor 11 57 20 - 2.4-9.1 QB ALA 15 - QG1 VAL 20 far 10 99 10 - 2.8-9.3 HG3 LYS 31 - QG1 VAL 20 far 9 90 10 - 3.8-18.0 HG2 LYS 24 - QG1 VAL 20 far 5 100 5 - 2.0-12.0 HG2 LYS 36 - QG1 VAL 20 far 5 99 5 - 2.4-24.4 QB ALA 29 - QG1 VAL 20 far 5 99 5 - 4.2-16.0 QB ALA 28 - QG1 VAL 20 far 5 98 5 - 4.5-14.9 QB ALA 12 - QG1 VAL 20 far 5 92 5 - 2.8-11.9 QB ALA 110 - QG1 VAL 20 far 0 99 0 - 5.2-35.9 HG3 LYS 26 - QG1 VAL 20 far 0 99 0 - 5.5-16.0 QB ALA 109 - QG1 VAL 20 far 0 93 0 - 6.4-33.7 QB ALA 108 - QG1 VAL 20 far 0 97 0 - 6.5-32.5 HB2 LEU 42 - QG1 VAL 20 far 0 100 0 - 7.6-26.2 Violated in 15 structures by 0.66 A. Peak 10720 from cnoeabs.peaks (1.19, 4.27, 55.17 ppm; 4.91 A): 0 out of 4 assignments used, quality = 0.00: QG2 THR 25 - HA LEU 22 poor 20 100 20 - 3.3-9.5 QG2 THR 18 - HA LEU 22 far 14 93 15 - 5.7-9.8 QB ALA 41 - HA LEU 22 far 0 92 0 - 7.5-24.8 HG12 ILE 32 - HA LEU 22 far 0 76 0 - 9.6-19.9 Violated in 18 structures by 1.66 A. Peak 10725 from cnoeabs.peaks (4.03, 0.84, 23.38 ppm; 4.23 A): 0 out of 3 assignments used, quality = 0.00: HB2 SER 38 - QD2 LEU 22 far 0 95 0 - 7.4-29.0 HA SER 60 - QD2 LEU 22 far 0 87 0 - 7.8-26.6 HA ILE 37 - QD2 LEU 22 far 0 99 0 - 8.3-27.2 Violated in 20 structures by 7.89 A. Peak 10727 from cnoeabs.peaks (0.89, 4.29, 55.99 ppm; 4.60 A): 3 out of 11 assignments used, quality = 0.94: QD1 LEU 22 + HA ARG 23 OK 75 100 75 100 4.7-7.0 4.9/10728=59, ~6200=42...(22) QG2 VAL 20 + HA ARG 23 OK 71 100 75 95 4.4-9.7 ~11783=31, 10688=27...(18) QG1 VAL 20 + HA ARG 23 OK 22 90 25 96 4.2-9.6 10713/3.8=32, ~11783=31...(15) QD1 LEU 98 - HA ARG 23 far 3 60 5 - 6.1-30.8 QD2 LEU 48 - HA ARG 23 far 0 89 0 - 7.2-21.8 QD2 LEU 98 - HA ARG 23 far 0 92 0 - 8.0-28.5 QG1 VAL 118 - HA ARG 23 far 0 99 0 - 8.0-25.7 QG2 VAL 63 - HA ARG 23 far 0 85 0 - 8.5-23.6 QG2 VAL 57 - HA ARG 23 far 0 60 0 - 9.1-23.2 QD2 LEU 123 - HA ARG 23 far 0 99 0 - 9.7-22.0 QD1 LEU 49 - HA ARG 23 far 0 81 0 - 9.8-20.3 Violated in 8 structures by 0.05 A. Peak 10728 from cnoeabs.peaks (8.13, 4.29, 55.99 ppm; 3.08 A): 1 out of 3 assignments used, quality = 0.29: H LEU 22 + HA ARG 23 OK 29 95 50 62 4.1-5.5 ~375=14, 6188/377=14...(12) H ILE 32 - HA ARG 23 far 0 100 0 - 7.1-17.7 H ALA 15 - HA ARG 23 far 0 99 0 - 8.5-19.5 Violated in 20 structures by 1.62 A. Peak 10729 from cnoeabs.peaks (1.36, 3.17, 43.21 ppm; 4.56 A): 0 out of 31 assignments used, quality = 0.00: QB ALA 21 - HD2 ARG 23 poor 18 73 25 - 4.5-9.4 QB ALA 28 - HD2 ARG 23 poor 17 87 20 - 3.9-14.2 QB ALA 21 - HD3 ARG 23 poor 15 73 20 - 3.9-9.5 HG3 LYS 26 - HD3 ARG 23 far 14 90 15 - 4.0-13.6 QB ALA 28 - HD3 ARG 23 far 13 87 15 - 4.4-13.9 QB ALA 15 - HD2 ARG 23 far 9 89 10 - 5.0-17.8 HG3 LYS 26 - HD2 ARG 23 poor 7 90 25 32 3.6-14.2 2.9/11449=15, ~11449=10...(8) QB ALA 12 - HD2 ARG 23 far 5 99 5 - 4.6-15.6 QB ALA 12 - HD3 ARG 23 far 5 99 5 - 5.0-15.3 HG2 LYS 24 - HD2 ARG 23 far 5 93 5 - 6.0-10.1 QB ALA 110 - HD3 ARG 23 far 4 89 5 - 4.6-38.5 QB ALA 110 - HD2 ARG 23 far 4 89 5 - 5.3-37.2 QB ALA 15 - HD3 ARG 23 far 4 89 5 - 6.0-18.4 QB ALA 109 - HD3 ARG 23 far 4 76 5 - 3.4-36.1 QB ALA 109 - HD2 ARG 23 far 4 76 5 - 4.7-34.7 HG3 LYS 31 - HD2 ARG 23 far 4 71 5 - 3.1-20.5 HG3 LYS 31 - HD3 ARG 23 far 4 71 5 - 4.6-20.3 QB ALA 29 - HD3 ARG 23 far 0 92 0 - 6.2-15.2 QB ALA 29 - HD2 ARG 23 far 0 92 0 - 6.2-15.6 HG2 LYS 24 - HD3 ARG 23 far 0 93 0 - 6.5-10.7 QB ALA 108 - HD2 ARG 23 far 0 85 0 - 6.6-33.3 HG2 LYS 36 - HD3 ARG 23 far 0 92 0 - 6.8-25.6 HG2 LYS 19 - HD3 ARG 23 far 0 100 0 - 6.8-16.2 QB ALA 108 - HD3 ARG 23 far 0 85 0 - 7.0-34.7 HG2 LYS 36 - HD2 ARG 23 far 0 92 0 - 7.1-25.7 HG2 LYS 19 - HD2 ARG 23 far 0 100 0 - 8.1-15.8 HG2 LYS 95 - HD3 ARG 90 far 0 68 0 - 9.1-13.9 QB ALA 28 - HD2 ARG 90 far 0 75 0 - 9.4-27.7 QB ALA 28 - HD3 ARG 90 far 0 76 0 - 9.7-26.9 HG2 LYS 95 - HD2 ARG 90 far 0 67 0 - 9.7-13.8 HG3 LYS 95 - HD3 ARG 90 far 0 72 0 - 9.9-14.2 Violated in 10 structures by 0.32 A. Peak 10748 from cnoeabs.peaks (0.88, 1.75, 32.72 ppm; 4.21 A): 3 out of 42 assignments used, quality = 0.93: QG2 VAL 20 + HB2 LYS 19 OK 72 97 75 100 3.8-6.4 ~10712=62, 4.0/6161=54...(19) QG1 VAL 20 + HB2 LYS 19 OK 67 67 100 100 2.5-5.4 10712/3.0=73...(18) QG2 ILE 32 + HB2 LYS 26 OK 20 65 40 77 2.1-13.0 4.0/6343=12...(35) QD1 LEU 22 - HB2 LYS 24 poor 19 94 20 - 3.7-8.8 QD1 LEU 22 - HB2 LYS 19 poor 16 94 30 57 3.9-10.2 10720/1.8=14, 409/3.0=12...(21) QG2 ILE 32 - HB2 LYS 31 poor 15 59 25 - 5.1-7.1 QG1 VAL 20 - HB2 LYS 24 far 10 67 15 - 4.0-11.1 QG2 VAL 20 - HB2 LYS 26 far 10 97 10 - 4.1-13.6 QG2 VAL 20 - HB2 LYS 24 far 10 97 10 - 3.7-9.6 QG2 VAL 20 - HB2 LYS 31 far 9 91 10 - 3.2-18.7 QG2 ILE 32 - HB2 LYS 24 far 6 64 10 - 2.3-17.3 QG1 VAL 20 - HB2 LYS 31 far 6 61 10 - 2.3-19.1 QG1 VAL 118 - HB2 LYS 24 far 4 86 5 - 5.5-24.6 QD1 LEU 98 - HB2 LYS 24 far 4 84 5 - 3.8-29.5 QG1 VAL 20 - HB2 LYS 26 far 3 68 5 - 5.2-15.8 QD2 LEU 48 - HB2 LYS 26 far 3 65 5 - 4.7-20.8 QD2 LEU 48 - HB2 LYS 19 far 3 65 5 - 4.8-26.6 QD2 LEU 48 - HB2 LYS 24 far 3 64 5 - 5.3-22.5 QG2 VAL 63 - HB2 LYS 26 far 0 60 0 - 5.9-17.1 QD1 LEU 22 - HB2 LYS 26 far 0 95 0 - 6.2-12.9 QD2 LEU 98 - HB2 LYS 24 far 0 99 0 - 6.4-27.4 QG1 VAL 20 - HB2 LYS 39 far 0 36 0 - 6.7-29.4 QD1 LEU 98 - HB2 LYS 26 far 0 85 0 - 6.9-24.7 QD1 LEU 22 - HB2 LYS 31 far 0 88 0 - 7.1-19.0 QG2 VAL 57 - HB2 LYS 19 far 0 84 0 - 7.2-30.6 QD2 LEU 123 - HB2 LYS 26 far 0 100 0 - 7.4-17.7 QD2 LEU 70 - HB2 LYS 26 far 0 71 0 - 7.5-16.8 QG2 ILE 32 - HB2 LYS 19 far 0 65 0 - 7.6-21.9 QD2 LEU 48 - HB2 LYS 31 far 0 59 0 - 7.7-19.5 QD2 LEU 98 - HB2 LYS 26 far 0 100 0 - 8.0-23.6 QD2 LEU 69 - HB2 LYS 26 far 0 96 0 - 8.4-16.7 QG1 VAL 118 - HB2 LYS 26 far 0 87 0 - 8.4-19.0 QG2 VAL 63 - HB2 LYS 24 far 0 59 0 - 8.5-23.7 QD2 LEU 123 - HB2 LYS 19 far 0 100 0 - 8.5-30.2 QD2 LEU 69 - HB2 LYS 39 far 0 57 0 - 8.7-13.0 QD2 LEU 69 - HB2 LYS 31 far 0 89 0 - 8.9-15.0 QG2 VAL 57 - HB2 LYS 26 far 0 85 0 - 9.0-20.6 QG2 ILE 32 - HB2 LYS 39 far 0 34 0 - 9.0-14.2 QG2 VAL 57 - HB2 LYS 24 far 0 84 0 - 9.1-23.1 QG2 VAL 20 - HB2 LYS 39 far 0 59 0 - 9.1-29.1 QD2 LEU 70 - HB2 LYS 31 far 0 64 0 - 9.3-17.2 QD2 LEU 69 - HB2 LYS 24 far 0 95 0 - 9.7-20.3 Violated in 5 structures by 0.09 A. Peak 10749 from cnoeabs.peaks (1.18, 1.82, 32.72 ppm; 4.64 A): 7 out of 21 assignments used, quality = 1.00: QG2 THR 18 + HB3 LYS 19 OK 95 96 100 99 4.0-5.6 10697=65, 6147/3.9=48...(26) QG2 THR 25 + HB3 LYS 24 OK 78 93 85 99 2.9-6.4 6242/6233=71...(37) HG12 ILE 32 + HB3 LYS 31 OK 72 88 85 97 4.0-7.5 6354/4.6=61...(42) QB ALA 41 + HB2 LYS 36 OK 69 95 75 96 3.2-7.6 10904/6404=55...(12) QG2 THR 25 + HB3 LYS 26 OK 48 96 50 99 3.1-6.8 6248/6251=81...(31) HG12 ILE 32 + HB2 LYS 36 OK 40 88 45 99 3.1-12.4 ~10810=45, ~10899=45...(35) HG12 ILE 32 + HB3 LYS 26 OK 37 95 45 88 2.0-13.1 10772/10769=13...(37) QG2 THR 25 - HB3 LYS 19 far 13 90 15 - 2.9-15.5 QG2 THR 25 - HB2 LYS 36 far 13 90 15 - 5.4-22.8 QG2 THR 18 - HB3 LYS 31 far 10 95 10 - 4.2-22.8 HG12 ILE 32 - HB3 LYS 24 far 9 92 10 - 5.5-17.3 QG2 THR 25 - HB3 LYS 31 lone 1 89 30 5 1.8-11.7 6248/615=2, 11763/240=1 QG2 THR 18 - HB3 LYS 24 lone 1 98 25 6 2.8-13.9 10740/4.1=1, 10716/269=1 QB ALA 41 - HB3 LYS 24 far 0 98 0 - 6.2-22.0 QB ALA 41 - HB3 LYS 26 far 0 100 0 - 6.6-21.1 QG2 THR 18 - HB3 LYS 26 far 0 100 0 - 7.1-19.0 QB ALA 41 - HB3 LYS 31 far 0 95 0 - 7.3-16.1 QG2 THR 18 - HB2 LYS 36 far 0 96 0 - 7.4-32.1 HG12 ILE 32 - HB3 LYS 19 far 0 88 0 - 8.1-25.3 QB ALA 41 - HB3 LYS 19 far 0 95 0 - 8.8-28.3 HG3 LYS 39 - HB3 LYS 24 far 0 82 0 - 9.7-30.9 Violated in 0 structures by 0.00 A. Peak 10751 from cnoeabs.peaks (0.79, 1.82, 32.72 ppm; 4.50 A): 3 out of 28 assignments used, quality = 0.78: QD1 ILE 37 + HB2 LYS 36 OK 58 84 70 100 3.8-7.6 6417/6404=62...(22) QD1 ILE 32 + HB2 LYS 36 OK 32 80 40 99 2.0-10.0 ~10810=45, ~10899=44...(41) QD1 ILE 32 + HB3 LYS 31 OK 23 80 30 97 5.0-6.9 6356/4.6=47...(46) QD1 ILE 32 - HB3 LYS 26 poor 18 87 25 83 2.5-11.3 10704/3.0=16...(40) QG1 VAL 63 - HB3 LYS 26 far 10 96 10 - 5.5-17.3 QD1 ILE 32 - HB3 LYS 24 far 8 84 10 - 3.3-13.9 QD2 LEU 49 - HB2 LYS 36 far 5 96 5 - 6.0-15.3 QG1 VAL 63 - HB3 LYS 24 far 5 93 5 - 5.0-21.7 QD1 ILE 32 - HB3 LYS 19 far 0 80 0 - 6.5-21.0 QD1 ILE 37 - HB3 LYS 26 far 0 90 0 - 6.7-18.3 QD1 LEU 103 - HB3 LYS 26 far 0 95 0 - 6.7-22.5 QD1 ILE 37 - HB3 LYS 24 far 0 87 0 - 7.1-19.6 QD2 LEU 49 - HB3 LYS 26 far 0 100 0 - 7.8-17.0 QD2 LEU 119 - HB3 LYS 26 far 0 99 0 - 8.3-22.8 QD1 ILE 37 - HB3 LYS 31 far 0 83 0 - 8.9-13.2 QD2 LEU 49 - HB3 LYS 19 far 0 96 0 - 8.9-26.6 QG1 VAL 63 - HB3 LYS 31 far 0 89 0 - 8.9-17.3 QD1 LEU 122 - HB3 LYS 26 far 0 96 0 - 9.0-18.7 QD1 LEU 70 - HB3 LYS 31 far 0 66 0 - 9.2-18.0 QG2 ILE 129 - HB2 LYS 36 far 0 59 0 - 9.3-14.2 QD2 LEU 119 - HB3 LYS 24 far 0 98 0 - 9.3-24.3 QD1 LEU 96 - HB2 LYS 36 far 0 69 0 - 9.4-15.8 QD2 LEU 49 - HB3 LYS 24 far 0 99 0 - 9.4-18.8 QD2 LEU 122 - HB3 LYS 24 far 0 97 0 - 9.6-20.9 QD1 LEU 70 - HB3 LYS 24 far 0 70 0 - 9.6-22.2 QD2 LEU 49 - HB3 LYS 31 far 0 96 0 - 9.7-16.2 QD1 LEU 53 - HB2 LYS 36 far 0 96 0 - 9.8-20.5 QD2 LEU 122 - HB3 LYS 26 far 0 99 0 - 9.9-18.1 Violated in 12 structures by 0.39 A. Peak 10753 from cnoeabs.peaks (0.78, 4.27, 56.60 ppm; 4.66 A): 4 out of 22 assignments used, quality = 0.87: QD1 ILE 37 + HA LYS 36 OK 50 83 60 100 4.3-6.9 6417/6403=82, ~10916=39...(29) QD1 ILE 32 + HA LYS 31 OK 44 89 50 98 3.4-6.6 6356/6342=80...(26) QD1 ILE 32 + HA LYS 26 OK 34 100 45 76 4.4-10.6 2.1/10816=14...(35) QD1 ILE 32 + HA LYS 36 OK 28 83 35 98 3.3-10.2 ~10810=35, ~10899=35...(32) QG1 VAL 63 - HA LYS 26 far 10 100 10 - 5.7-17.4 QD1 ILE 37 - HA LYS 26 far 0 100 0 - 6.4-17.9 QD2 LEU 43 - HA LYS 36 far 0 56 0 - 6.6-13.4 QD2 LEU 49 - HA LYS 36 far 0 64 0 - 6.7-15.0 QD1 ILE 37 - HA LYS 31 far 0 89 0 - 7.2-12.4 QD2 LEU 49 - HA LYS 31 far 0 70 0 - 7.6-15.6 QD1 ILE 32 - HA LYS 19 far 0 100 0 - 8.1-20.8 QG1 VAL 63 - HA LYS 31 far 0 88 0 - 8.1-16.0 QD1 LEU 103 - HA LYS 26 far 0 100 0 - 8.3-22.5 QG1 VAL 93 - HA LYS 31 far 0 50 0 - 8.7-18.4 QD2 LEU 49 - HA LYS 26 far 0 85 0 - 8.8-16.9 QD2 LEU 119 - HA LYS 26 far 0 76 0 - 9.0-21.8 QD1 ILE 37 - HA LYS 19 far 0 100 0 - 9.2-27.9 QD1 LEU 122 - HA LYS 26 far 0 60 0 - 9.3-20.0 QD2 LEU 96 - HA LYS 31 far 0 48 0 - 9.5-18.0 QD2 LEU 43 - HA LYS 26 far 0 76 0 - 9.7-22.4 QG1 VAL 93 - HA LYS 26 far 0 63 0 - 9.8-19.8 QD1 LEU 96 - HA LYS 31 far 0 87 0 - 9.9-17.4 Violated in 9 structures by 0.20 A. Peak 10756 from cnoeabs.peaks (0.89, 1.43, 24.54 ppm; 3.69 A): 1 out of 36 assignments used, quality = 0.29: QG1 VAL 20 + HG3 LYS 19 OK 29 67 45 97 4.5-6.7 10714/1.8=65...(16) QD1 LEU 22 - HG3 LYS 24 poor 20 79 25 - 3.3-9.1 QG2 VAL 20 - HG2 LYS 26 far 15 100 15 - 3.5-14.9 QD1 LEU 22 - HG3 LYS 19 far 9 85 10 - 3.1-11.7 QG2 VAL 20 - HG3 LYS 24 far 8 81 10 - 2.9-9.5 QG1 VAL 20 - HG2 LYS 31 far 6 62 10 - 4.4-18.8 QG1 VAL 20 - HG3 LYS 24 far 6 61 10 - 2.8-11.5 QG1 VAL 20 - HG2 LYS 26 far 4 83 5 - 4.8-17.0 QG2 VAL 20 - HG2 LYS 31 far 4 82 5 - 4.8-17.3 QD2 LEU 48 - HG2 LYS 26 far 4 81 5 - 3.1-22.1 QD2 LEU 98 - HG3 LYS 24 far 4 75 5 - 4.2-29.1 QG1 VAL 118 - HG3 LYS 24 far 4 74 5 - 3.1-25.8 QD1 LEU 98 - HG3 LYS 24 far 3 51 5 - 1.9-31.0 QG2 VAL 20 - HG3 LYS 19 far 0 87 0 - 5.4-8.1 QD2 LEU 48 - HG3 LYS 19 far 0 65 0 - 5.5-28.4 QD2 LEU 48 - HG3 LYS 24 far 0 59 0 - 5.6-21.0 QD2 LEU 123 - HG2 LYS 26 far 0 100 0 - 6.2-18.8 QD1 LEU 49 - HG2 LYS 26 far 0 71 0 - 6.3-18.9 QG2 VAL 57 - HG3 LYS 19 far 0 56 0 - 6.8-31.5 QD1 LEU 22 - HG2 LYS 26 far 0 99 0 - 6.9-13.1 QG2 VAL 63 - HG2 LYS 26 far 0 76 0 - 7.0-17.2 QD1 LEU 62 - HG2 LYS 26 far 0 68 0 - 7.1-18.2 QD2 LEU 48 - HG2 LYS 31 far 0 60 0 - 7.2-19.6 QD1 LEU 98 - HG2 LYS 26 far 0 71 0 - 7.3-26.7 QD2 LEU 98 - HG2 LYS 26 far 0 97 0 - 7.7-25.5 QG2 VAL 57 - HG2 LYS 26 far 0 71 0 - 7.9-22.1 QD1 LEU 49 - HG3 LYS 19 far 0 56 0 - 8.0-30.3 QG2 VAL 63 - HG3 LYS 24 far 0 55 0 - 8.2-24.8 QG2 VAL 57 - HG3 LYS 24 far 0 51 0 - 8.3-24.0 QD2 LEU 69 - HG2 LYS 31 far 0 66 0 - 8.4-15.6 QD1 LEU 22 - HG2 LYS 31 far 0 81 0 - 8.5-18.5 QD2 LEU 69 - HG2 LYS 26 far 0 87 0 - 8.6-18.2 QD2 LEU 123 - HG3 LYS 19 far 0 87 0 - 8.8-31.5 QG1 VAL 118 - HG2 LYS 26 far 0 96 0 - 8.8-18.8 QG2 VAL 63 - HG2 LYS 31 far 0 56 0 - 9.7-18.7 QD1 LEU 62 - HG3 LYS 24 far 0 49 0 - 9.8-24.6 Violated in 20 structures by 1.81 A. Peak 10757 from cnoeabs.peaks (0.85, 2.97, 41.80 ppm; 3.55 A): 7 out of 54 assignments used, quality = 0.99: QG2 ILE 32 + HE3 LYS 36 OK 84 97 90 96 2.1-5.7 10899/4.9=25, 10766=24...(60) QG2 ILE 32 + HE2 LYS 36 OK 69 91 80 95 1.8-5.7 10899/4.9=25...(60) QG2 ILE 32 + HE2 LYS 26 OK 40 100 55 72 3.2-16.7 10766=13, 10766/1.8=10...(22) QG2 ILE 32 + HE3 LYS 26 OK 39 100 55 71 2.0-16.2 10766=12, 10766/1.8=10...(22) QG2 ILE 32 + HE3 LYS 31 OK 26 100 40 66 3.2-9.4 10766=8, 10766/1.8=6...(18) QG2 ILE 32 + HE2 LYS 31 OK 25 99 40 64 3.1-8.9 930/10804=8, 10766=7...(19) HG13 ILE 80 + HE3 LYS 86 OK 20 61 35 95 1.9-7.5 ~11878=29, ~11220=29...(24) QD2 LEU 22 - HE3 LYS 24 far 10 96 10 - 3.4-10.8 QD2 LEU 22 - HE3 LYS 19 far 5 98 5 - 5.0-12.4 QD1 LEU 98 - HE3 LYS 24 far 5 91 5 - 3.9-32.0 QG2 ILE 32 - HE2 LYS 24 far 4 86 5 - 4.2-18.0 QD2 LEU 22 - HE2 LYS 24 far 4 83 5 - 4.9-10.1 QD2 LEU 69 - HE3 LYS 36 far 4 78 5 - 4.1-12.8 QD1 LEU 98 - HE2 LYS 24 far 4 78 5 - 4.0-30.7 QG2 VAL 57 - HE3 LYS 19 far 0 94 0 - 5.1-31.7 QG2 ILE 32 - HE3 LYS 24 far 0 97 0 - 5.1-18.1 QD2 LEU 22 - HE2 LYS 26 far 0 99 0 - 5.2-14.6 QD2 LEU 69 - HE2 LYS 36 far 0 71 0 - 5.3-11.8 QD2 LEU 22 - HE2 LYS 19 far 0 91 0 - 5.3-13.0 QD2 LEU 22 - HE3 LYS 26 far 0 99 0 - 5.6-14.5 QD2 LEU 98 - HE3 LYS 24 far 0 61 0 - 5.8-30.0 QD2 LEU 69 - HE3 LYS 26 far 0 83 0 - 6.2-20.2 QG2 VAL 57 - HE2 LYS 19 far 0 85 0 - 6.3-31.7 QD2 LEU 98 - HE2 LYS 24 far 0 50 0 - 6.3-28.7 QD2 LEU 70 - HE3 LYS 36 far 0 96 0 - 6.8-14.9 QD2 LEU 69 - HE2 LYS 31 far 0 82 0 - 6.9-16.6 QD2 LEU 70 - HE2 LYS 36 far 0 89 0 - 7.0-14.5 QD2 LEU 69 - HE2 LYS 26 far 0 83 0 - 7.2-20.0 QG1 VAL 133 - HE3 LYS 36 far 0 91 0 - 7.5-15.2 QG2 ILE 129 - HE3 LYS 86 far 0 56 0 - 7.6-10.0 QG1 VAL 133 - HE3 LYS 86 far 0 87 0 - 7.9-10.9 QD2 LEU 70 - HE2 LYS 31 far 0 98 0 - 8.0-18.3 QG2 VAL 57 - HE2 LYS 26 far 0 95 0 - 8.0-22.9 QG2 ILE 129 - HE3 LYS 36 far 0 59 0 - 8.2-15.0 QG1 VAL 133 - HE2 LYS 36 far 0 83 0 - 8.2-14.3 QG2 VAL 57 - HE3 LYS 24 far 0 91 0 - 8.3-25.3 QG2 ILE 129 - HE2 LYS 36 far 0 52 0 - 8.4-14.1 QD2 LEU 22 - HE3 LYS 31 far 0 99 0 - 8.4-19.0 QD2 LEU 69 - HE3 LYS 31 far 0 83 0 - 8.4-16.7 QD2 LEU 22 - HE2 LYS 36 far 0 89 0 - 8.5-26.1 QD1 LEU 98 - HE2 LYS 26 far 0 95 0 - 8.5-27.6 QD2 LEU 98 - HE2 LYS 26 far 0 65 0 - 8.6-26.2 QD2 LEU 70 - HE3 LYS 31 far 0 99 0 - 8.7-17.7 QD2 LEU 98 - HE3 LYS 26 far 0 65 0 - 8.8-26.4 QD2 LEU 22 - HE3 LYS 36 far 0 96 0 - 8.9-26.7 QG2 VAL 57 - HE2 LYS 24 far 0 78 0 - 8.9-25.0 QD2 LEU 22 - HE2 LYS 31 far 0 98 0 - 8.9-19.2 QG2 VAL 57 - HE3 LYS 26 far 0 95 0 - 9.0-23.4 QD2 LEU 70 - HE3 LYS 26 far 0 99 0 - 9.1-18.0 QD1 LEU 98 - HE3 LYS 26 far 0 95 0 - 9.5-27.7 QD2 LEU 69 - HE3 LYS 24 far 0 78 0 - 9.7-21.5 QG2 ILE 32 - HE2 LYS 19 far 0 93 0 - 9.8-24.4 QG2 ILE 32 - HE3 LYS 19 far 0 99 0 - 9.8-24.4 QD2 LEU 69 - HE2 LYS 24 far 0 66 0 - 10.0-22.1 Violated in 1 structures by 0.01 A. Peak 10760 from cnoeabs.peaks (0.93, 4.24, 56.10 ppm; 4.83 A): 0 out of 21 assignments used, quality = 0.00: QG2 VAL 63 - HA GLN 27 poor 18 90 20 - 4.6-17.7 QD1 LEU 62 - HA GLN 27 far 5 95 5 - 6.2-17.9 QD2 LEU 48 - HA GLU 30 far 5 31 15 - 4.8-17.4 QD1 LEU 48 - HA GLU 30 far 2 41 5 - 4.6-19.8 QG1 VAL 20 - HA GLU 30 far 1 30 5 - 5.8-19.3 QG1 VAL 57 - HA GLU 30 far 1 27 5 - 6.1-21.5 QD1 LEU 48 - HA GLN 27 lone 0 100 25 2 3.4-20.0 QD2 LEU 48 - HA GLN 27 lone 0 87 25 2 3.4-19.0 QD1 LEU 49 - HA GLN 27 far 0 93 0 - 6.5-20.0 QG2 VAL 63 - HA GLU 30 far 0 33 0 - 6.9-14.8 QG1 VAL 20 - HA GLN 27 far 0 85 0 - 7.1-14.3 QD1 LEU 62 - HA GLU 30 far 0 35 0 - 7.4-18.1 QG1 VAL 118 - HA GLN 27 far 0 65 0 - 7.9-20.1 QG1 VAL 57 - HA GLN 27 far 0 78 0 - 8.4-22.1 QD1 LEU 49 - HA GLU 30 far 0 34 0 - 8.5-18.0 QG2 ILE 37 - HA GLN 27 far 0 98 0 - 8.5-16.5 QG2 ILE 37 - HA GLU 30 far 0 38 0 - 8.6-14.0 QG2 VAL 112 - HA GLU 30 far 0 41 0 - 9.2-24.6 QG1 VAL 126 - HA GLN 27 far 0 57 0 - 9.5-18.9 QD1 LEU 123 - HA GLN 27 far 0 100 0 - 9.7-21.5 QD1 LEU 119 - HA GLN 27 far 0 92 0 - 10.0-21.7 Violated in 11 structures by 0.86 A. Peak 10761 from cnoeabs.peaks (1.38, 1.96, 29.32 ppm; 4.61 A): 6 out of 30 assignments used, quality = 1.00: QB ALA 28 + HB2 GLN 27 OK 100 100 100 100 3.2-4.8 6304/6297=71, ~6298=61...(23) QB ALA 28 + HB2 GLU 30 OK 83 84 100 99 2.7-4.2 10792/3.0=56...(21) QB ALA 29 + HB2 GLU 30 OK 83 83 100 100 4.3-5.8 3.7/6318=80...(27) QB ALA 29 + HB2 GLN 27 OK 43 100 50 86 4.1-7.6 ~10788=46, 2.9/10787=24...(14) HG3 LYS 31 + HB2 GLU 30 OK 42 81 70 75 3.0-7.8 5.0/6326=34...(11) HG3 LYS 26 + HB2 GLN 27 OK 32 100 35 90 4.8-7.3 5.0/6271=61, ~10765=24...(17) HG3 LYS 31 - HB2 GLN 27 poor 20 99 20 - 4.7-11.0 QB ALA 15 - HB2 GLU 30 poor 17 84 20 - 4.4-23.8 QB ALA 108 - HB2 GLN 27 far 15 100 15 - 3.8-24.3 HG2 LYS 24 - HB2 GLN 27 far 10 100 10 - 4.2-13.9 QB ALA 108 - HB2 GLU 30 far 8 84 10 - 5.3-23.9 QB ALA 110 - HB2 GLN 27 far 5 100 5 - 6.0-27.7 HG3 LYS 26 - HB2 GLU 30 far 4 84 5 - 5.2-12.9 HG2 LYS 19 - HB2 GLU 30 far 3 65 5 - 4.7-25.8 QB ALA 12 - HB2 GLU 30 far 3 55 5 - 5.7-24.4 QB ALA 16 - HB2 GLU 30 far 0 61 0 - 6.5-21.3 QB ALA 109 - HB2 GLN 27 far 0 100 0 - 6.9-25.9 HG2 LYS 24 - HB2 GLU 30 far 0 83 0 - 6.9-17.0 HG LEU 96 - HB2 GLN 27 far 0 93 0 - 7.0-24.4 HG2 LYS 19 - HB2 GLN 27 far 0 85 0 - 7.5-24.3 HG3 LYS 95 - HB2 GLN 27 far 0 100 0 - 7.8-30.0 QB ALA 109 - HB2 GLU 30 far 0 83 0 - 7.8-24.7 HG2 LYS 36 - HB2 GLN 27 far 0 100 0 - 8.2-19.1 HB3 LEU 100 - HB2 GLN 27 far 0 100 0 - 8.5-21.3 HB2 LEU 42 - HB2 GLN 27 far 0 100 0 - 8.7-21.8 QB ALA 12 - HB2 GLN 27 far 0 73 0 - 8.9-21.0 HB2 LEU 96 - HB2 GLN 27 far 0 100 0 - 9.4-23.1 HG2 LYS 95 - HB2 GLN 27 far 0 100 0 - 9.4-28.8 QB ALA 110 - HB2 GLU 30 far 0 84 0 - 9.6-25.7 QB ALA 15 - HB2 GLN 27 far 0 100 0 - 10.0-20.9 Violated in 0 structures by 0.00 A. Peak 10762 from cnoeabs.peaks (1.39, 2.06, 29.32 ppm; 4.52 A): 3 out of 15 assignments used, quality = 1.00: QB ALA 28 + HB3 GLN 27 OK 99 99 100 100 3.6-5.3 6304/6298=92...(22) QB ALA 29 + HB3 GLN 27 OK 35 98 40 89 4.1-7.9 2.9/10788=63...(14) HG3 LYS 26 + HB3 GLN 27 OK 22 99 25 88 5.0-8.0 5.0/6272=56, ~10765=23...(18) QB ALA 108 - HB3 GLN 27 far 15 100 15 - 4.0-25.5 HG3 LYS 31 - HB3 GLN 27 far 10 100 10 - 5.6-12.4 QB ALA 110 - HB3 GLN 27 far 5 99 5 - 5.9-28.7 HG2 LYS 24 - HB3 GLN 27 far 5 97 5 - 5.2-14.4 HG2 LYS 36 - HB3 GLN 27 far 0 98 0 - 6.6-19.1 HB2 LEU 42 - HB3 GLN 27 far 0 97 0 - 7.1-22.9 HG LEU 96 - HB3 GLN 27 far 0 99 0 - 7.1-24.0 HG2 LYS 19 - HB3 GLN 27 far 0 71 0 - 7.3-24.7 HB3 LEU 100 - HB3 GLN 27 far 0 97 0 - 7.3-22.1 QB ALA 109 - HB3 GLN 27 far 0 100 0 - 7.6-27.2 HG3 LYS 95 - HB3 GLN 27 far 0 100 0 - 8.7-29.9 HB2 LEU 96 - HB3 GLN 27 far 0 98 0 - 9.4-23.3 Violated in 4 structures by 0.01 A. Peak 10763 from cnoeabs.peaks (1.37, 2.36, 33.67 ppm; 4.39 A): 4 out of 39 assignments used, quality = 0.98: QB ALA 28 + HG3 GLN 27 OK 82 97 85 100 3.9-6.3 6304/4.9=57, ~6298=38...(24) HG3 LYS 26 + HG3 GLN 27 OK 74 98 95 79 3.0-5.9 1.8/10765=37...(9) QB ALA 28 + HG2 GLN 27 OK 56 93 60 100 2.6-6.3 6304/4.9=57, ~6298=38...(22) HG3 LYS 26 + HG2 GLN 27 OK 25 95 35 76 2.8-7.3 1.8/10765=30, ~10765=28...(9) HG3 LYS 31 - HG3 GLN 27 poor 17 87 20 - 3.3-12.5 QB ALA 108 - HG2 GLN 27 far 14 92 15 - 2.0-26.5 HG3 LYS 31 - HG2 GLN 27 far 12 83 15 - 4.6-12.0 HG2 LYS 24 - HG3 GLN 27 far 10 99 10 - 4.6-13.4 QB ALA 108 - HG3 GLN 27 far 10 96 10 - 2.3-25.1 QB ALA 110 - HG3 GLN 27 far 5 97 5 - 4.0-28.7 HG2 LYS 24 - HG2 GLN 27 far 5 96 5 - 3.7-14.2 QB ALA 110 - HG2 GLN 27 far 5 94 5 - 4.8-29.9 QB ALA 29 - HG2 GLN 27 far 0 96 0 - 6.0-9.0 HG2 LYS 36 - HG3 GLN 27 far 0 99 0 - 6.1-21.6 HB3 LEU 100 - HG2 GLN 27 far 0 96 0 - 6.1-23.0 HB2 LEU 96 - HG2 GLN 127 far 0 81 0 - 6.2-9.0 QB ALA 109 - HG2 GLN 27 far 0 86 0 - 6.2-27.5 QB ALA 29 - HG3 GLN 27 far 0 99 0 - 6.2-8.0 QB ALA 109 - HG3 GLN 27 far 0 90 0 - 6.3-26.3 HG3 LYS 95 - HG2 GLN 27 far 0 91 0 - 7.2-30.6 HG LEU 96 - HG2 GLN 27 far 0 67 0 - 7.4-25.7 HB3 LEU 100 - HG3 GLN 27 far 0 99 0 - 7.6-21.6 HG2 LYS 36 - HG2 GLN 27 far 0 96 0 - 7.7-21.1 HB2 LEU 42 - HG3 GLN 27 far 0 99 0 - 7.8-23.0 HG LEU 96 - HG2 GLN 127 far 0 53 0 - 8.0-10.1 QB ALA 29 - HG2 GLN 127 far 0 81 0 - 8.1-18.2 HB3 LEU 100 - HG2 GLN 127 far 0 81 0 - 8.3-11.4 HG3 LYS 95 - HG3 GLN 27 far 0 95 0 - 8.3-29.3 HG2 LYS 19 - HG2 GLN 27 far 0 96 0 - 8.4-26.2 HG3 LYS 95 - HG2 GLN 127 far 0 75 0 - 8.5-14.5 HG2 LYS 95 - HG2 GLN 27 far 0 88 0 - 8.7-31.0 HG2 LYS 19 - HG3 GLN 27 far 0 99 0 - 8.9-25.1 HG LEU 96 - HG3 GLN 27 far 0 71 0 - 9.0-24.3 HB2 LEU 96 - HG2 GLN 27 far 0 96 0 - 9.2-23.9 QB ALA 12 - HG3 GLN 27 far 0 95 0 - 9.3-21.4 HB2 LEU 42 - HG2 GLN 27 far 0 97 0 - 9.4-22.2 HG3 LYS 26 - HG2 GLN 127 far 0 80 0 - 9.6-24.5 HG2 LYS 95 - HG3 GLN 27 far 0 92 0 - 9.9-29.3 HG2 LYS 95 - HG2 GLN 127 far 0 72 0 - 9.9-13.6 Violated in 8 structures by 0.05 A. Peak 10764 from cnoeabs.peaks (1.17, 2.36, 33.67 ppm; 4.25 A): 0 out of 12 assignments used, quality = 0.00: HG12 ILE 32 - HG2 GLN 27 far 15 97 15 - 4.6-11.7 QG2 THR 25 - HG2 GLN 27 far 12 81 15 - 4.0-9.7 HG12 ILE 32 - HG3 GLN 27 far 10 99 10 - 4.2-11.9 QG2 THR 25 - HG3 GLN 27 far 8 85 10 - 5.3-8.4 QB ALA 41 - HG3 GLN 27 far 5 100 5 - 1.9-18.6 QB ALA 41 - HG2 GLN 27 far 5 98 5 - 3.3-17.9 HB3 LEU 62 - HG3 GLN 27 far 0 73 0 - 6.1-23.0 HB3 LEU 62 - HG2 GLN 27 far 0 69 0 - 6.3-23.9 QG2 THR 18 - HG2 GLN 27 far 0 98 0 - 8.0-20.9 QG2 THR 18 - HG3 GLN 27 far 0 100 0 - 8.7-19.9 HG3 LYS 39 - HG3 GLN 27 far 0 96 0 - 8.9-26.9 HG3 LYS 39 - HG2 GLN 27 far 0 92 0 - 9.6-27.9 Violated in 18 structures by 1.11 A. Peak 10765 from cnoeabs.peaks (1.44, 2.36, 33.67 ppm; 4.82 A): 2 out of 14 assignments used, quality = 0.94: HG2 LYS 26 + HG3 GLN 27 OK 81 100 100 81 2.6-5.1 6264/4.6=37...(12) HG2 LYS 26 + HG2 GLN 27 OK 66 98 85 80 3.2-6.7 6264/4.6=37, ~10724=26...(12) HG13 ILE 32 - HG3 GLN 27 poor 20 100 20 - 5.3-12.1 HG2 LYS 31 - HG3 GLN 27 far 15 100 15 - 2.9-13.8 HG3 LYS 24 - HG3 GLN 27 far 15 98 15 - 4.0-13.5 HG2 LYS 31 - HG2 GLN 27 far 15 97 15 - 3.9-13.4 HG13 ILE 32 - HG2 GLN 27 far 10 98 10 - 5.8-11.7 HG3 LYS 24 - HG2 GLN 27 far 9 95 10 - 2.6-14.1 QB ALA 92 - HG2 GLN 127 far 4 81 5 - 6.1-7.9 HG3 LYS 19 - HG2 GLN 27 far 0 96 0 - 7.9-25.8 HG3 LYS 19 - HG3 GLN 27 far 0 99 0 - 8.7-24.7 QB ALA 34 - HG3 GLN 27 far 0 87 0 - 9.0-16.1 HG2 LYS 26 - HG2 GLN 127 far 0 83 0 - 9.2-24.5 QB ALA 34 - HG2 GLN 27 far 0 83 0 - 9.8-16.1 Violated in 2 structures by 0.00 A. Peak 10766 from cnoeabs.peaks (1.18, 1.96, 29.32 ppm; 5.50 A): 3 out of 10 assignments used, quality = 0.82: QG2 THR 25 + HB2 GLN 27 OK 52 97 55 98 4.6-8.7 10725/3.0=82...(5) HG12 ILE 32 + HB2 GLU 30 OK 47 72 65 100 5.3-8.2 1.8/10769=87, 10843=60...(23) HG12 ILE 32 + HB2 GLN 27 OK 29 92 35 92 4.8-10.3 10844/3.0=56...(14) QG2 THR 18 - HB2 GLU 30 poor 16 82 20 - 4.0-22.4 QG2 THR 25 - HB2 GLU 30 lone 5 79 35 19 1.8-10.0 10772/709=12...(3) QB ALA 41 - HB2 GLN 27 far 5 99 5 - 4.1-17.9 QG2 THR 18 - HB2 GLN 27 far 5 99 5 - 6.4-20.2 QG2 VAL 77 - HB2 GLU 30 far 0 83 0 - 7.7-24.4 QB ALA 41 - HB2 GLU 30 far 0 81 0 - 9.4-16.6 HG3 LYS 39 - HB2 GLN 27 far 0 81 0 - 9.4-26.1 Violated in 7 structures by 0.23 A. Peak 10767 from cnoeabs.peaks (0.92, 2.36, 33.67 ppm; 4.11 A): 2 out of 35 assignments used, quality = 0.96: QD1 LEU 123 + HG2 GLN 127 OK 83 83 100 100 1.7-5.5 11638=99, 11637/1.8=84...(19) QD1 LEU 49 + HG2 GLN 127 OK 73 78 100 95 2.2-4.1 10437/1.8=43...(17) QD1 LEU 48 - HG2 GLN 27 far 15 98 15 - 3.0-19.6 QD1 LEU 48 - HG3 GLN 27 far 10 100 10 - 2.0-18.6 QG2 VAL 63 - HG3 GLN 27 far 9 95 10 - 3.5-17.4 QD1 LEU 62 - HG2 GLN 27 far 9 94 10 - 4.9-19.0 QD2 LEU 48 - HG3 GLN 27 far 9 92 10 - 3.8-20.2 QG2 VAL 63 - HG2 GLN 27 far 9 91 10 - 2.4-18.0 QD2 LEU 48 - HG2 GLN 27 far 9 88 10 - 4.4-20.9 QD1 LEU 62 - HG3 GLN 27 far 5 97 5 - 5.2-18.2 QG1 VAL 118 - HG2 GLN 27 far 3 69 5 - 5.3-20.4 QD1 LEU 22 - HG3 GLN 27 far 3 60 5 - 5.2-14.5 QG1 VAL 20 - HG2 GLN 27 far 0 86 0 - 5.8-16.7 QD1 LEU 22 - HG2 GLN 27 far 0 56 0 - 5.9-15.2 QD1 LEU 48 - HG2 GLN 127 far 0 84 0 - 6.4-10.1 QG1 VAL 118 - HG3 GLN 27 far 0 73 0 - 6.4-19.2 QG1 VAL 20 - HG3 GLN 27 far 0 90 0 - 6.6-16.0 QD1 LEU 62 - HG2 GLN 127 far 0 79 0 - 7.0-9.8 QG1 VAL 118 - HG2 GLN 127 far 0 55 0 - 7.1-10.4 QD2 LEU 48 - HG2 GLN 127 far 0 72 0 - 7.3-9.3 QD1 LEU 49 - HG3 GLN 27 far 0 97 0 - 7.6-20.4 QG1 VAL 57 - HG3 GLN 27 far 0 71 0 - 7.8-23.6 QD1 LEU 49 - HG2 GLN 27 far 0 93 0 - 7.8-21.5 QD1 LEU 119 - HG2 GLN 27 far 0 83 0 - 7.8-23.6 QG1 VAL 57 - HG2 GLN 27 far 0 67 0 - 8.2-24.2 QD1 LEU 119 - HG3 GLN 27 far 0 87 0 - 8.3-22.8 QG2 VAL 112 - HG2 GLN 27 far 0 98 0 - 8.4-29.0 QG2 ILE 37 - HG3 GLN 27 far 0 96 0 - 8.4-17.4 QG2 VAL 112 - HG3 GLN 27 far 0 100 0 - 8.7-27.9 QG2 ILE 37 - HG2 GLN 127 far 0 76 0 - 8.7-15.3 QD1 LEU 119 - HG2 GLN 127 far 0 67 0 - 8.7-11.0 QG2 ILE 37 - HG2 GLN 27 far 0 92 0 - 9.0-16.6 QG1 VAL 20 - HG2 GLN 127 far 0 70 0 - 9.0-29.7 QD1 LEU 123 - HG3 GLN 27 far 0 100 0 - 9.7-22.2 QG1 VAL 57 - HG2 GLN 127 far 0 53 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 10768 from cnoeabs.peaks (1.38, 4.24, 56.10 ppm; 3.89 A): 5 out of 28 assignments used, quality = 1.00: QB ALA 28 + HA GLN 27 OK 99 100 100 99 3.8-5.0 6304/700=85, 6265/3.0=30...(19) QB ALA 29 + HA GLU 30 OK 40 41 100 97 4.1-4.3 4.9=50, 6316/3.0=38...(23) QB ALA 28 + HA GLU 30 OK 36 41 95 94 4.3-5.5 10792/3.8=37...(22) HG3 LYS 26 + HA GLN 27 OK 28 100 30 94 2.8-6.8 6265/3.0=33, ~6262=27...(27) QB ALA 29 + HA GLN 27 OK 25 100 40 61 4.1-7.7 ~10788=23, 10723/3.0=12...(12) HG3 LYS 31 - HA GLU 30 poor 16 39 40 - 4.6-7.4 QB ALA 108 - HA GLN 27 far 10 100 10 - 4.4-26.4 QB ALA 110 - HA GLN 27 far 10 100 10 - 4.7-30.1 QB ALA 15 - HA GLU 30 far 4 41 10 - 3.7-23.5 HG2 LYS 36 - HA GLN 27 far 0 100 0 - 5.8-19.4 QB ALA 108 - HA GLU 30 far 0 41 0 - 5.9-22.9 HG2 LYS 24 - HA GLN 27 far 0 100 0 - 6.0-12.9 QB ALA 12 - HA GLU 30 far 0 24 0 - 6.2-24.6 HG3 LYS 26 - HA GLU 30 far 0 41 0 - 6.2-13.7 QB ALA 109 - HA GLU 30 far 0 40 0 - 6.6-23.9 HG3 LYS 31 - HA GLN 27 far 0 99 0 - 6.7-11.3 QB ALA 109 - HA GLN 27 far 0 100 0 - 6.9-28.3 HG2 LYS 19 - HA GLU 30 far 0 30 0 - 7.3-26.5 QB ALA 16 - HA GLU 30 far 0 28 0 - 7.5-21.9 HG2 LYS 36 - HA GLU 30 far 0 41 0 - 7.8-13.1 HB2 LEU 42 - HA GLN 27 far 0 100 0 - 8.3-21.4 HB3 LEU 100 - HA GLN 27 far 0 100 0 - 8.7-22.4 QB ALA 110 - HA GLU 30 far 0 41 0 - 9.0-25.3 HG LEU 96 - HA GLU 30 far 0 34 0 - 9.1-21.0 HG2 LYS 24 - HA GLU 30 far 0 40 0 - 9.2-17.0 HG LEU 96 - HA GLN 27 far 0 93 0 - 9.2-24.1 QB ALA 15 - HA GLN 27 far 0 100 0 - 9.4-19.7 HG2 LYS 19 - HA GLN 27 far 0 85 0 - 9.7-23.1 Violated in 0 structures by 0.00 A. Peak 10776 from cnoeabs.peaks (0.79, 4.24, 52.47 ppm; 4.57 A): 2 out of 21 assignments used, quality = 0.86: QD1 ILE 32 + HA ALA 29 OK 80 80 100 100 1.6-4.3 3.2/10734=76...(18) QD1 ILE 32 + HA ALA 28 OK 33 90 60 61 4.2-7.1 934/3.6=17, ~10772=14...(10) QG1 VAL 63 - HA ALA 28 far 15 97 15 - 2.4-14.7 QD2 LEU 49 - HA ALA 29 far 14 92 15 - 4.8-12.7 QG1 VAL 63 - HA ALA 29 far 13 88 15 - 4.8-13.1 QD2 LEU 49 - HA ALA 28 far 5 100 5 - 6.0-15.3 QD1 ILE 37 - HA ALA 29 far 4 83 5 - 5.1-11.6 QD1 LEU 70 - HA ALA 29 far 3 58 5 - 5.5-14.8 QD1 LEU 53 - HA ALA 28 far 0 100 0 - 6.1-21.9 QD1 LEU 70 - HA ALA 28 far 0 68 0 - 6.7-18.3 QD1 LEU 53 - HA ALA 29 far 0 93 0 - 7.5-19.7 QD1 LEU 96 - HA ALA 28 far 0 81 0 - 8.1-17.4 QD1 LEU 103 - HA ALA 28 far 0 97 0 - 8.2-19.0 QD1 LEU 122 - HA ALA 29 far 0 83 0 - 8.4-15.0 QD2 LEU 119 - HA ALA 28 far 0 99 0 - 8.5-17.4 QD1 LEU 96 - HA ALA 29 far 0 70 0 - 8.6-14.1 QD1 ILE 37 - HA ALA 28 far 0 93 0 - 9.0-15.1 QD2 LEU 119 - HA ALA 29 far 0 90 0 - 9.3-16.7 QD2 LEU 122 - HA ALA 28 far 0 99 0 - 9.5-15.4 QD1 LEU 122 - HA ALA 28 far 0 93 0 - 9.7-15.6 QG2 ILE 129 - HA ALA 28 far 0 60 0 - 9.9-19.2 Violated in 0 structures by 0.00 A. Peak 10778 from cnoeabs.peaks (8.33, 4.23, 52.53 ppm; 4.05 A): 2 out of 10 assignments used, quality = 0.99: H ALA 28 + HA ALA 29 OK 90 99 100 91 3.9-5.5 4.6/6310=23, ~6311=13...(30) H ALA 28 + HA ALA 28 OK 90 90 100 100 2.3-2.9 3.0=100 H ALA 21 - HA ALA 28 far 3 56 5 - 5.4-18.1 H GLU 44 - HA ALA 29 far 0 100 0 - 6.1-19.8 H GLU 44 - HA ALA 28 far 0 93 0 - 6.3-22.5 H TYR 72 - HA ALA 29 far 0 95 0 - 7.1-15.1 H LYS 19 - HA ALA 28 far 0 83 0 - 7.1-21.4 H LYS 19 - HA ALA 29 far 0 93 0 - 9.4-23.0 H GLY 17 - HA ALA 28 far 0 81 0 - 9.7-24.1 H ALA 21 - HA ALA 29 far 0 65 0 - 10.0-19.1 Violated in 0 structures by 0.00 A. Peak 10779 from cnoeabs.peaks (1.17, 4.23, 52.53 ppm; 4.91 A): 2 out of 11 assignments used, quality = 0.98: HG12 ILE 32 + HA ALA 29 OK 97 97 100 100 1.9-4.4 2.9/10734=92...(24) QG2 THR 25 + HA ALA 28 OK 38 81 70 67 4.0-8.9 10772/3.0=36...(7) HG12 ILE 32 - HA ALA 28 poor 18 88 25 80 5.6-8.1 10772/3.0=22...(15) QB ALA 41 - HA ALA 29 far 10 100 10 - 5.5-14.3 QG2 THR 25 - HA ALA 29 lone 5 92 30 19 1.9-11.4 10772/10778=15, 10726/10784=3 QG2 THR 18 - HA ALA 28 far 5 93 5 - 4.3-19.5 QB ALA 41 - HA ALA 28 far 0 93 0 - 7.0-17.1 QG2 THR 18 - HA ALA 29 far 0 100 0 - 7.0-20.3 HB3 LEU 62 - HA ALA 28 far 0 53 0 - 8.0-20.0 QG2 VAL 77 - HA ALA 28 far 0 89 0 - 8.8-23.6 HB3 LEU 62 - HA ALA 29 far 0 63 0 - 9.5-19.4 Violated in 0 structures by 0.00 A. Peak 10780 from cnoeabs.peaks (0.78, 4.23, 52.53 ppm; 4.56 A): 2 out of 20 assignments used, quality = 1.00: QD1 ILE 32 + HA ALA 29 OK 99 99 100 100 1.6-4.3 3.2/10734=82...(18) QD1 ILE 32 + HA ALA 28 OK 32 91 55 64 4.2-7.1 934/3.6=20, ~10772=14...(11) QG1 VAL 63 - HA ALA 29 far 15 100 15 - 4.8-13.1 QD2 LEU 49 - HA ALA 29 far 14 93 15 - 4.8-12.7 QG1 VAL 63 - HA ALA 28 far 14 93 15 - 2.4-14.7 QD1 ILE 37 - HA ALA 29 far 5 100 5 - 5.1-11.6 QD2 LEU 49 - HA ALA 28 far 4 83 5 - 6.0-15.3 QD1 LEU 53 - HA ALA 28 far 0 87 0 - 6.1-21.9 QD1 LEU 53 - HA ALA 29 far 0 97 0 - 7.5-19.7 QD1 LEU 96 - HA ALA 28 far 0 87 0 - 8.1-17.4 QD1 LEU 103 - HA ALA 28 far 0 93 0 - 8.2-19.0 QD1 LEU 122 - HA ALA 29 far 0 73 0 - 8.4-15.0 QD2 LEU 119 - HA ALA 28 far 0 76 0 - 8.5-17.4 QD1 LEU 96 - HA ALA 29 far 0 97 0 - 8.6-14.1 QD1 ILE 37 - HA ALA 28 far 0 92 0 - 9.0-15.1 QD2 LEU 119 - HA ALA 29 far 0 87 0 - 9.3-16.7 QD2 LEU 43 - HA ALA 29 far 0 63 0 - 9.3-18.1 QD2 LEU 43 - HA ALA 28 far 0 53 0 - 9.4-21.3 QD2 LEU 122 - HA ALA 28 far 0 92 0 - 9.5-15.4 QD1 LEU 122 - HA ALA 28 far 0 63 0 - 9.7-15.6 Violated in 0 structures by 0.00 A. Peak 10781 from cnoeabs.peaks (0.85, 4.23, 52.53 ppm; 6.28 A): 2 out of 16 assignments used, quality = 1.00: QG2 ILE 32 + HA ALA 29 OK 100 100 100 100 2.7-6.2 2.1/10783=100...(21) QG2 ILE 32 + HA ALA 28 OK 41 93 60 73 6.5-9.1 3.0/10776=24, ~10772=21...(11) QD2 LEU 70 - HA ALA 29 far 15 100 15 - 5.8-13.7 QG2 VAL 57 - HA ALA 28 far 14 90 15 - 6.6-19.5 QD2 LEU 22 - HA ALA 28 far 12 83 15 - 4.5-16.6 QD2 LEU 70 - HA ALA 28 far 5 93 5 - 5.9-17.2 QD1 LEU 98 - HA ALA 28 far 5 90 5 - 6.8-24.2 QD2 LEU 98 - HA ALA 28 far 3 70 5 - 6.6-22.3 QD2 LEU 123 - HA ALA 29 far 3 60 5 - 7.6-15.8 QD2 LEU 69 - HA ALA 29 lone 1 93 40 2 5.8-12.7 QD2 LEU 123 - HA ALA 28 far 0 51 0 - 7.9-17.3 QD2 LEU 69 - HA ALA 28 far 0 83 0 - 8.1-14.9 QG2 VAL 57 - HA ALA 29 far 0 99 0 - 8.2-19.4 QD2 LEU 22 - HA ALA 29 far 0 93 0 - 8.7-15.9 QD2 LEU 98 - HA ALA 29 far 0 81 0 - 8.8-19.2 QD1 LEU 98 - HA ALA 29 far 0 99 0 - 9.6-20.9 Violated in 0 structures by 0.00 A. Peak 10782 from cnoeabs.peaks (1.72, 4.23, 52.53 ppm; 5.03 A): 0 out of 13 assignments used, quality = 0.00: HB2 LYS 31 - HA ALA 29 poor 16 73 40 55 5.2-7.5 4.6/10819=37, 4.0/745=13...(5) HG LEU 48 - HA ALA 29 lone 6 99 50 13 4.3-19.8 ~10790=6, ~10732=3, ~11540=3 HB2 LYS 24 - HA ALA 29 far 6 63 10 - 5.3-14.0 HG LEU 98 - HA ALA 28 far 4 88 5 - 6.4-27.0 HG LEU 48 - HA ALA 28 lone 0 91 30 1 2.2-20.9 HB2 LYS 24 - HA ALA 28 far 0 53 0 - 6.6-12.7 HB3 LEU 70 - HA ALA 29 far 0 100 0 - 6.8-14.2 HB2 LYS 31 - HA ALA 28 far 0 63 0 - 6.9-10.2 HB2 LEU 70 - HA ALA 29 far 0 99 0 - 8.2-15.2 HB2 LEU 43 - HA ALA 29 far 0 99 0 - 8.8-21.7 HG LEU 98 - HA ALA 29 far 0 97 0 - 9.2-24.7 HB2 LEU 43 - HA ALA 28 far 0 90 0 - 9.6-25.5 HB3 LEU 70 - HA ALA 28 far 0 92 0 - 9.8-18.6 Violated in 8 structures by 0.26 A. Peak 10783 from cnoeabs.peaks (1.81, 4.23, 52.53 ppm; 3.44 A): 1 out of 16 assignments used, quality = 0.84: HB ILE 32 + HA ALA 29 OK 84 100 85 99 2.4-7.2 10790/2.1=59, 10818=54...(21) HB3 ARG 23 - HA ALA 28 far 13 90 15 - 2.8-13.0 HB3 LYS 24 - HA ALA 29 far 5 100 5 - 4.0-13.6 HB3 LYS 26 - HA ALA 29 far 5 100 5 - 4.0-10.4 HB2 LYS 36 - HA ALA 29 far 0 100 0 - 5.1-16.7 HB3 LYS 31 - HA ALA 29 far 0 100 0 - 5.1-7.9 HB3 LYS 19 - HA ALA 28 far 0 92 0 - 5.2-22.5 HB3 LYS 24 - HA ALA 28 far 0 93 0 - 5.6-14.0 HB3 ARG 23 - HA ALA 29 far 0 99 0 - 6.5-15.8 HB3 LYS 26 - HA ALA 28 far 0 92 0 - 6.7-9.1 HB3 LYS 31 - HA ALA 28 far 0 92 0 - 6.8-9.8 HB ILE 32 - HA ALA 28 far 0 92 0 - 6.8-10.2 HB VAL 93 - HA ALA 28 far 0 84 0 - 6.9-25.2 HB3 LYS 19 - HA ALA 29 far 0 100 0 - 8.3-22.7 HB2 LYS 36 - HA ALA 28 far 0 93 0 - 9.1-19.3 HB VAL 93 - HA ALA 29 far 0 95 0 - 9.5-21.4 Violated in 11 structures by 0.74 A. Peak 10784 from cnoeabs.peaks (1.95, 4.23, 52.53 ppm; 4.83 A): 4 out of 12 assignments used, quality = 1.00: HB2 GLU 30 + HA ALA 29 OK 99 99 100 100 5.1-5.6 6318/3.6=89...(32) HB2 GLU 30 + HA ALA 28 OK 90 91 100 99 4.4-6.3 10791/2.1=42, ~10792=38...(24) HB2 GLN 27 + HA ALA 28 OK 81 81 100 100 3.7-5.9 ~6298=66, 6297/3.0=64...(25) HB2 GLN 27 + HA ALA 29 OK 42 92 50 92 5.0-7.7 ~10788=51, 4.6/10778=29...(16) HG LEU 53 - HA ALA 28 far 4 83 5 - 5.7-24.7 HB2 MET 11 - HA ALA 28 far 3 56 5 - 6.2-30.5 HB3 ARG 90 - HA ALA 28 far 0 93 0 - 7.5-29.2 HG LEU 53 - HA ALA 29 far 0 93 0 - 7.9-22.1 HB2 PRO 58 - HA ALA 28 far 0 93 0 - 8.6-24.5 HB2 PRO 58 - HA ALA 29 far 0 100 0 - 9.4-23.3 HB ILE 37 - HA ALA 29 far 0 87 0 - 9.7-14.8 HB2 LYS 95 - HA ALA 28 far 0 84 0 - 9.8-25.2 Violated in 0 structures by 0.00 A. Peak 10785 from cnoeabs.peaks (2.04, 4.23, 52.53 ppm; 5.14 A): 4 out of 18 assignments used, quality = 0.97: HB3 GLU 30 + HA ALA 29 OK 83 83 100 100 6.1-6.4 6319/3.6=62...(35) HB3 GLN 27 + HA ALA 28 OK 70 70 100 100 4.1-5.6 6298/3.0=77...(25) HB3 GLN 27 + HA ALA 29 OK 31 81 40 96 5.3-7.9 10788/2.9=71...(16) HB3 GLU 30 + HA ALA 28 OK 21 72 30 100 5.8-7.5 ~10792=43, ~10791=36...(24) HB2 GLU 44 - HA ALA 29 far 9 90 10 - 4.0-20.6 HB2 GLU 44 - HA ALA 28 far 8 80 10 - 4.8-22.9 QE MET 11 - HA ALA 28 far 5 93 5 - 5.5-24.2 HB VAL 63 - HA ALA 28 far 4 76 5 - 4.4-18.0 HB3 MET 11 - HA ALA 28 far 0 78 0 - 7.2-28.8 HG2 PRO 58 - HA ALA 28 far 0 84 0 - 7.4-26.3 HB2 LEU 62 - HA ALA 28 far 0 78 0 - 7.7-19.7 HB VAL 63 - HA ALA 29 far 0 87 0 - 7.8-16.4 HG2 PRO 58 - HA ALA 29 far 0 95 0 - 8.1-25.1 QE MET 11 - HA ALA 29 far 0 100 0 - 8.9-25.9 HB3 GLU 55 - HA ALA 28 far 0 93 0 - 9.0-29.1 HB3 GLU 40 - HA ALA 29 far 0 100 0 - 9.1-22.4 HB2 LEU 62 - HA ALA 29 far 0 89 0 - 9.2-19.4 HG2 ARG 90 - HA ALA 28 far 0 78 0 - 9.2-30.4 Violated in 0 structures by 0.00 A. Peak 10786 from cnoeabs.peaks (2.33, 4.23, 52.53 ppm; 5.30 A): 5 out of 13 assignments used, quality = 1.00: HG3 GLU 30 + HA ALA 29 OK 100 100 100 100 4.4-5.4 6321/3.6=89...(29) HG3 GLU 30 + HA ALA 28 OK 91 92 100 100 3.2-6.1 10792/2.1=66, ~10743=41...(24) HG2 GLN 27 + HA ALA 28 OK 52 58 90 100 4.2-6.9 ~6298=57, ~718=50...(19) HG3 GLN 68 + HA ALA 29 OK 23 100 45 51 4.6-14.7 9009/10737=32...(4) HG2 GLU 44 + HA ALA 29 OK 20 97 25 83 4.4-23.0 10948/2.1=83, 10947/10733=3 HG2 GLU 44 - HA ALA 28 far 9 87 10 - 4.3-24.8 HG2 GLN 27 - HA ALA 29 far 7 68 10 - 6.4-9.0 HB3 GLN 101 - HA ALA 29 far 0 68 0 - 7.3-21.2 HB3 GLN 101 - HA ALA 28 far 0 58 0 - 7.7-23.9 HG3 GLN 68 - HA ALA 28 far 0 92 0 - 7.9-17.2 HG2 GLU 40 - HA ALA 29 far 0 96 0 - 9.1-20.7 HB VAL 77 - HA ALA 28 far 0 90 0 - 9.2-27.2 HG2 GLU 40 - HA ALA 28 far 0 86 0 - 9.9-24.7 Violated in 0 structures by 0.00 A. Peak 10790 from cnoeabs.peaks (1.80, 1.38, 19.08 ppm; 3.19 A): 1 out of 68 assignments used, quality = 0.50: HB ILE 32 + QB ALA 29 OK 50 93 55 98 2.0-5.8 10783/2.1=53...(29) HB3 ARG 23 - QB ALA 28 poor 17 84 20 - 3.0-12.1 HB3 LYS 31 - QB ALA 15 far 10 98 10 - 2.6-21.8 HB3 LYS 19 - QB ALA 15 far 10 98 10 - 4.0-12.6 HB3 LEU 98 - QB ALA 108 far 8 80 10 - 2.6-16.9 HB2 LEU 48 - QB ALA 28 far 7 75 10 - 4.5-20.5 HB2 LEU 48 - QB ALA 29 lone 5 76 40 16 2.0-16.4 ~10733=8, ~10782=5...(5) HB3 LYS 24 - QB ALA 29 far 5 97 5 - 2.6-12.1 HB3 LYS 24 - QB ALA 15 far 5 97 5 - 4.1-15.5 HB3 LEU 103 - QB ALA 108 far 5 93 5 - 3.9-10.0 HB3 LYS 26 - QB ALA 110 far 4 90 5 - 3.1-29.9 HB3 LYS 26 - QB ALA 108 far 4 88 5 - 3.5-26.4 HB3 ARG 23 - QB ALA 110 far 4 82 5 - 3.9-36.8 HG LEU 100 - QB ALA 108 far 3 61 5 - 4.5-11.7 HB3 ARG 23 - QB ALA 109 far 3 51 5 - 2.0-34.1 HB3 LYS 24 - QB ALA 28 lone 1 97 25 3 3.3-12.8 6233/6234=2 HB3 LEU 103 - QB ALA 110 far 0 95 0 - 4.7-13.5 HB3 LYS 31 - QB ALA 28 far 0 98 0 - 4.8-8.0 HB2 LYS 36 - QB ALA 29 far 0 95 0 - 5.0-13.4 HB3 ARG 23 - QB ALA 15 far 0 84 0 - 5.0-15.5 HB3 LYS 19 - QB ALA 28 far 0 98 0 - 5.1-20.6 HB3 LYS 19 - QB ALA 110 far 0 97 0 - 5.1-43.2 HB3 LYS 24 - QB ALA 108 far 0 94 0 - 5.2-30.4 HB3 LYS 26 - QB ALA 28 far 0 91 0 - 5.2-7.7 HB3 LYS 26 - QB ALA 29 far 0 92 0 - 5.3-9.5 HB3 LEU 98 - QB ALA 110 far 0 82 0 - 5.5-21.0 HB3 LEU 122 - QB ALA 110 far 0 95 0 - 5.5-16.9 HG LEU 100 - QB ALA 109 far 0 37 0 - 5.6-13.0 HB3 ARG 23 - QB ALA 108 far 0 80 0 - 5.6-32.5 HB3 LYS 26 - QB ALA 109 far 0 57 0 - 5.7-27.3 HB3 ARG 23 - QB ALA 29 far 0 85 0 - 5.7-13.8 HB3 LYS 24 - QB ALA 109 far 0 63 0 - 5.9-33.1 HG LEU 100 - QB ALA 29 far 0 65 0 - 5.9-12.0 HB3 LYS 31 - QB ALA 29 far 0 99 0 - 5.9-8.3 HB ILE 32 - QB ALA 28 far 0 92 0 - 5.9-9.1 HB ILE 32 - QB ALA 15 far 0 92 0 - 6.0-22.3 HB3 LEU 103 - QB ALA 109 far 0 62 0 - 6.1-11.3 HB3 LYS 26 - QB ALA 15 far 0 91 0 - 6.3-19.9 HB3 LEU 122 - QB ALA 108 far 0 94 0 - 6.3-13.9 HB3 LYS 19 - QB ALA 109 far 0 65 0 - 6.3-40.7 HB3 LYS 19 - QB ALA 29 far 0 99 0 - 6.4-19.6 HB2 LEU 100 - QB ALA 108 far 0 82 0 - 6.6-12.6 HB VAL 93 - QB ALA 29 far 0 73 0 - 7.0-17.2 HB3 LEU 98 - QB ALA 109 far 0 51 0 - 7.1-18.3 HB2 LEU 100 - QB ALA 29 far 0 87 0 - 7.1-13.3 HB2 LYS 36 - QB ALA 15 far 0 94 0 - 7.4-28.2 HB VAL 93 - QB ALA 28 far 0 72 0 - 7.5-22.1 HB2 LEU 100 - QB ALA 109 far 0 53 0 - 7.6-14.1 HB2 LEU 100 - QB ALA 110 far 0 84 0 - 7.8-17.2 HB2 LYS 36 - QB ALA 28 far 0 94 0 - 8.1-17.1 HB3 LEU 103 - QB ALA 29 far 0 97 0 - 8.1-14.9 HB3 LEU 103 - QB ALA 28 far 0 96 0 - 8.1-19.0 HG LEU 100 - QB ALA 28 far 0 64 0 - 8.1-16.7 HB3 LEU 123 - QB ALA 110 far 0 52 0 - 8.4-18.0 HB3 LYS 31 - QB ALA 108 far 0 96 0 - 8.5-26.6 HB3 LEU 122 - QB ALA 109 far 0 63 0 - 8.5-14.5 HB3 LEU 98 - QB ALA 29 far 0 85 0 - 8.6-18.7 HG LEU 100 - QB ALA 110 far 0 63 0 - 8.6-15.8 HB3 LEU 98 - QB ALA 28 far 0 84 0 - 8.7-21.9 HB3 LEU 123 - QB ALA 29 far 0 54 0 - 8.7-18.7 HB2 LEU 48 - QB ALA 108 far 0 72 0 - 8.8-19.9 HB ILE 32 - QB ALA 108 far 0 89 0 - 9.0-21.7 HB3 LYS 24 - QB ALA 110 far 0 95 0 - 9.1-35.2 HB3 LEU 122 - QB ALA 29 far 0 97 0 - 9.1-15.6 HB2 LEU 100 - QB ALA 28 far 0 86 0 - 9.4-16.7 HB3 LEU 103 - QB ALA 15 far 0 96 0 - 9.4-36.4 HB3 LYS 19 - QB ALA 108 far 0 96 0 - 9.7-39.7 HB3 LYS 31 - QB ALA 109 far 0 65 0 - 9.9-27.8 Violated in 17 structures by 1.23 A. Peak 10791 from cnoeabs.peaks (1.95, 1.38, 19.08 ppm; 3.29 A): 3 out of 41 assignments used, quality = 0.99: HB2 GLU 30 + QB ALA 28 OK 90 99 100 91 2.7-4.2 3.0/10792=33...(20) HB2 GLN 27 + QB ALA 28 OK 84 91 95 97 3.2-4.8 6297/6304=41, ~6298=30...(23) HB2 GLU 30 + QB ALA 29 OK 37 99 40 94 4.3-5.8 6318/3.7=47...(26) HB2 PRO 58 - QB ALA 110 poor 20 99 20 - 2.1-17.2 HB2 GLN 27 - QB ALA 29 far 14 92 15 - 4.1-7.6 HB2 PRO 58 - QB ALA 109 poor 14 68 20 - 2.4-15.7 HB2 GLU 30 - QB ALA 15 far 10 99 10 - 4.4-23.8 HG LEU 53 - QB ALA 29 far 5 93 5 - 4.7-19.1 HB2 GLN 27 - QB ALA 108 far 4 88 5 - 3.8-24.3 HB2 MET 11 - QB ALA 28 far 3 64 5 - 3.6-26.9 HB2 PRO 58 - QB ALA 108 far 0 98 0 - 5.0-16.0 HG2 PRO 113 - QB ALA 15 far 0 86 0 - 5.2-41.9 HB2 GLU 30 - QB ALA 108 far 0 97 0 - 5.3-23.9 HB2 GLN 27 - QB ALA 110 far 0 90 0 - 6.0-27.7 HG2 PRO 113 - QB ALA 109 far 0 53 0 - 6.1-12.4 HB3 LYS 95 - QB ALA 110 far 0 95 0 - 6.4-21.9 HB2 PRO 58 - QB ALA 29 far 0 100 0 - 6.7-17.5 HG LEU 53 - QB ALA 28 far 0 92 0 - 6.7-21.5 HB2 GLN 27 - QB ALA 109 far 0 57 0 - 6.9-25.9 HB ILE 37 - QB ALA 15 far 0 86 0 - 7.1-28.0 HB3 LYS 95 - QB ALA 108 far 0 94 0 - 7.2-19.3 HB3 ARG 90 - QB ALA 28 far 0 100 0 - 7.2-25.5 HB2 PRO 58 - QB ALA 28 far 0 100 0 - 7.3-22.0 HB2 MET 11 - QB ALA 15 far 0 64 0 - 7.5-13.1 HB2 LYS 95 - QB ALA 110 far 0 92 0 - 7.7-22.5 HB2 GLU 30 - QB ALA 109 far 0 66 0 - 7.8-24.7 HG2 PRO 113 - QB ALA 110 far 0 84 0 - 7.9-10.2 HB2 PRO 58 - QB ALA 15 far 0 100 0 - 8.0-35.9 HB2 MET 11 - QB ALA 108 far 0 61 0 - 8.1-48.2 HB2 MET 11 - QB ALA 29 far 0 65 0 - 8.2-27.6 HB2 LYS 95 - QB ALA 108 far 0 91 0 - 8.3-19.9 HB ILE 37 - QB ALA 29 far 0 87 0 - 8.7-12.7 HB3 ARG 90 - QB ALA 29 far 0 100 0 - 9.1-20.6 HG LEU 53 - QB ALA 108 far 0 89 0 - 9.4-20.5 HB2 MET 11 - QB ALA 110 far 0 63 0 - 9.5-53.0 HB2 LYS 95 - QB ALA 28 far 0 94 0 - 9.6-21.0 HB2 GLU 30 - QB ALA 110 far 0 98 0 - 9.6-25.7 HG2 PRO 113 - QB ALA 108 far 0 82 0 - 9.7-15.1 HG LEU 53 - QB ALA 110 far 0 91 0 - 9.9-20.1 HB2 MET 11 - QB ALA 109 far 0 37 0 - 10.0-49.8 HB2 GLN 27 - QB ALA 15 far 0 91 0 - 10.0-20.9 Violated in 5 structures by 0.03 A. Peak 10792 from cnoeabs.peaks (2.33, 1.38, 19.08 ppm; 3.34 A): 2 out of 37 assignments used, quality = 0.94: HG3 GLU 30 + QB ALA 28 OK 89 100 100 90 1.9-3.8 1.8/10743=26...(20) HG3 GLU 30 + QB ALA 29 OK 42 100 45 92 3.6-5.7 6321/3.7=41, 10744=19...(23) HG2 GLU 44 - QB ALA 29 far 15 99 15 - 3.0-18.4 HG2 GLN 27 - QB ALA 108 far 8 76 10 - 2.0-26.5 HG2 GLU 102 - QB ALA 108 far 6 61 10 - 3.9-13.9 HG3 GLU 30 - QB ALA 15 far 5 100 5 - 3.3-21.9 HG3 GLN 68 - QB ALA 29 lone 4 99 25 16 4.0-10.5 9009/10739=10...(5) HG2 GLN 27 - QB ALA 28 far 4 80 5 - 2.6-6.3 HG2 GLN 27 - QB ALA 110 far 4 78 5 - 4.8-29.9 HG3 GLN 27 - QB ALA 28 far 3 64 5 - 3.9-6.3 HB2 PRO 117 - QB ALA 109 far 3 32 10 - 4.0-15.9 HG3 GLN 27 - QB ALA 110 far 3 63 5 - 4.0-28.7 HG3 GLN 27 - QB ALA 108 far 3 61 5 - 2.3-25.1 HB2 PRO 117 - QB ALA 110 far 3 55 5 - 4.6-16.9 HB2 PRO 117 - QB ALA 108 far 3 54 5 - 4.4-16.7 HG2 GLU 44 - QB ALA 28 far 0 99 0 - 5.0-21.6 HG2 GLU 40 - QB ALA 15 far 0 88 0 - 5.5-32.0 HG2 GLN 27 - QB ALA 29 far 0 81 0 - 6.0-9.0 HG2 GLN 27 - QB ALA 109 far 0 48 0 - 6.2-27.5 HG3 GLN 27 - QB ALA 29 far 0 65 0 - 6.2-8.0 HG3 GLN 68 - QB ALA 28 far 0 98 0 - 6.3-16.0 HG3 GLN 27 - QB ALA 109 far 0 37 0 - 6.3-26.3 HG2 GLU 44 - QB ALA 15 far 0 99 0 - 6.3-30.7 HG2 GLU 102 - QB ALA 110 far 0 63 0 - 6.5-18.2 HG3 GLU 30 - QB ALA 108 far 0 98 0 - 6.9-24.3 HG2 GLU 102 - QB ALA 29 far 0 65 0 - 6.9-18.9 HG3 GLN 68 - QB ALA 109 far 0 65 0 - 7.7-20.7 HG3 GLU 30 - QB ALA 109 far 0 68 0 - 7.8-25.1 HG3 GLN 68 - QB ALA 108 far 0 96 0 - 7.8-17.9 HG2 GLU 40 - QB ALA 29 far 0 89 0 - 7.8-17.8 HG2 GLU 102 - QB ALA 109 far 0 37 0 - 7.9-16.0 HG2 GLN 127 - QB ALA 29 far 0 76 0 - 8.1-18.2 HG2 GLU 102 - QB ALA 28 far 0 64 0 - 8.6-23.3 HB VAL 77 - QB ALA 29 far 0 100 0 - 8.8-18.9 HB VAL 77 - QB ALA 28 far 0 100 0 - 8.9-23.8 HG2 GLU 40 - QB ALA 28 far 0 88 0 - 9.2-21.5 HG3 GLU 30 - QB ALA 110 far 0 99 0 - 9.4-27.3 Violated in 5 structures by 0.04 A. Peak 10796 from cnoeabs.peaks (1.38, 4.22, 56.42 ppm; 4.26 A): 4 out of 28 assignments used, quality = 1.00: QB ALA 29 + HA GLU 30 OK 99 100 100 99 4.1-4.3 4.9=66, 6316/3.0=43...(23) QB ALA 28 + HA GLU 30 OK 97 100 100 97 4.3-5.5 10792/3.8=43...(23) QB ALA 28 + HA GLN 27 OK 41 41 100 100 3.8-5.0 6304/3.6=81...(19) HG3 LYS 31 + HA GLU 30 OK 32 98 45 74 4.6-7.4 5.0/759=30, 10798/3.0=13...(18) QB ALA 29 - HA GLN 27 poor 18 41 45 - 4.1-7.7 QB ALA 15 - HA GLU 30 far 15 100 15 - 3.7-23.5 HG3 LYS 26 - HA GLN 27 poor 12 41 30 - 2.8-6.8 QB ALA 110 - HA GLN 27 far 4 41 10 - 4.7-30.1 QB ALA 108 - HA GLN 27 far 4 41 10 - 4.4-26.4 HG2 LYS 36 - HA GLN 27 far 2 41 5 - 5.8-19.4 QB ALA 108 - HA GLU 30 far 0 100 0 - 5.9-22.9 HG2 LYS 24 - HA GLN 27 far 0 41 0 - 6.0-12.9 QB ALA 12 - HA GLU 30 far 0 78 0 - 6.2-24.6 HG3 LYS 26 - HA GLU 30 far 0 100 0 - 6.2-13.7 QB ALA 109 - HA GLU 30 far 0 99 0 - 6.6-23.9 HG3 LYS 31 - HA GLN 27 far 0 38 0 - 6.7-11.3 QB ALA 109 - HA GLN 27 far 0 39 0 - 6.9-28.3 HG2 LYS 19 - HA GLU 30 far 0 89 0 - 7.3-26.5 QB ALA 16 - HA GLU 30 far 0 76 0 - 7.5-21.9 HG2 LYS 36 - HA GLU 30 far 0 100 0 - 7.8-13.1 HB2 LEU 42 - HA GLN 27 far 0 41 0 - 8.3-21.4 HB3 LEU 100 - HA GLN 27 far 0 41 0 - 8.7-22.4 QB ALA 110 - HA GLU 30 far 0 100 0 - 9.0-25.3 HG LEU 96 - HA GLU 30 far 0 90 0 - 9.1-21.0 HG2 LYS 24 - HA GLU 30 far 0 100 0 - 9.2-17.0 HG LEU 96 - HA GLN 27 far 0 33 0 - 9.2-24.1 QB ALA 15 - HA GLN 27 far 0 41 0 - 9.4-19.7 HG2 LYS 19 - HA GLN 27 far 0 32 0 - 9.7-23.1 Violated in 0 structures by 0.00 A. Peak 10797 from cnoeabs.peaks (1.38, 1.96, 29.50 ppm; 4.64 A): 6 out of 30 assignments used, quality = 1.00: QB ALA 29 + HB2 GLU 30 OK 100 100 100 100 4.3-5.8 3.7/6318=83...(27) QB ALA 28 + HB2 GLU 30 OK 99 100 100 99 2.7-4.2 10792/3.0=57, 10791=42...(21) QB ALA 28 + HB2 GLN 27 OK 84 84 100 100 3.2-4.8 6304/4.6=70, ~6298=62...(24) HG3 LYS 31 + HB2 GLU 30 OK 54 99 70 78 3.0-7.8 5.0/6326=35...(11) QB ALA 29 + HB2 GLN 27 OK 36 83 50 87 4.1-7.6 ~10788=47, 2.9/10787=25...(14) HG3 LYS 26 + HB2 GLN 27 OK 26 83 35 90 4.8-7.3 5.0/6271=60, ~10765=24...(17) QB ALA 15 - HB2 GLU 30 poor 20 100 20 - 4.4-23.8 HG3 LYS 31 - HB2 GLN 27 poor 16 82 20 - 4.7-11.0 QB ALA 108 - HB2 GLN 27 far 13 84 15 - 3.8-24.3 QB ALA 108 - HB2 GLU 30 far 10 100 10 - 5.3-23.9 HG2 LYS 24 - HB2 GLN 27 far 8 83 10 - 4.2-13.9 HG3 LYS 26 - HB2 GLU 30 far 5 100 5 - 5.2-12.9 QB ALA 110 - HB2 GLN 27 far 4 84 5 - 6.0-27.7 HG2 LYS 19 - HB2 GLU 30 far 4 83 5 - 4.7-25.8 QB ALA 12 - HB2 GLU 30 far 4 71 5 - 5.7-24.4 QB ALA 16 - HB2 GLU 30 far 0 83 0 - 6.5-21.3 QB ALA 109 - HB2 GLN 27 far 0 83 0 - 6.9-25.9 HG2 LYS 24 - HB2 GLU 30 far 0 100 0 - 6.9-17.0 HG LEU 96 - HB2 GLN 27 far 0 75 0 - 7.0-24.4 HG2 LYS 19 - HB2 GLN 27 far 0 63 0 - 7.5-24.3 HG3 LYS 95 - HB2 GLN 27 far 0 84 0 - 7.8-30.0 QB ALA 109 - HB2 GLU 30 far 0 100 0 - 7.8-24.7 HG2 LYS 36 - HB2 GLN 27 far 0 83 0 - 8.2-19.1 HB3 LEU 100 - HB2 GLN 27 far 0 83 0 - 8.5-21.3 HB2 LEU 42 - HB2 GLN 27 far 0 82 0 - 8.7-21.8 QB ALA 12 - HB2 GLN 27 far 0 53 0 - 8.9-21.0 HB2 LEU 96 - HB2 GLN 27 far 0 83 0 - 9.4-23.1 HG2 LYS 95 - HB2 GLN 27 far 0 83 0 - 9.4-28.8 QB ALA 110 - HB2 GLU 30 far 0 100 0 - 9.6-25.7 QB ALA 15 - HB2 GLN 27 far 0 84 0 - 10.0-20.9 Violated in 0 structures by 0.00 A. Peak 10798 from cnoeabs.peaks (1.39, 2.02, 29.50 ppm; 4.74 A): 3 out of 21 assignments used, quality = 1.00: QB ALA 29 + HB3 GLU 30 OK 99 99 100 100 5.5-6.0 3.7/6319=67...(29) QB ALA 28 + HB3 GLU 30 OK 99 100 100 99 4.2-5.2 10792/3.0=57...(21) HG3 LYS 31 + HB3 GLU 30 OK 68 100 80 85 3.3-7.3 5.0/6327=58...(12) QB ALA 15 - HB3 GLU 30 poor 20 100 20 - 3.3-24.1 QB ALA 108 - HB3 GLU 30 far 5 100 5 - 5.2-24.4 QB ALA 16 - HB3 GLU 30 far 4 89 5 - 5.7-22.6 QB ALA 15 - HB3 PRO 56 far 4 42 10 - 1.9-39.1 HG2 LYS 19 - HB3 GLU 30 far 4 76 5 - 5.2-26.1 QB ALA 16 - HB3 PRO 56 far 3 34 10 - 4.8-35.7 QB ALA 12 - HB3 GLU 30 far 3 63 5 - 5.4-24.8 HG2 LYS 19 - HB3 PRO 56 far 1 27 5 - 5.9-42.5 HG3 LYS 26 - HB3 GLU 30 far 0 99 0 - 6.3-14.0 QB ALA 110 - HB3 PRO 56 far 0 42 0 - 6.7-17.6 QB ALA 109 - HB3 GLU 30 far 0 100 0 - 7.1-25.2 HG2 LYS 24 - HB3 GLU 30 far 0 99 0 - 7.6-17.5 QB ALA 12 - HB3 PRO 56 far 0 21 0 - 7.8-38.9 QB ALA 110 - HB3 GLU 30 far 0 100 0 - 8.2-26.4 QB ALA 109 - HB3 PRO 56 far 0 43 0 - 8.9-16.4 QB ALA 28 - HB3 PRO 56 far 0 43 0 - 9.0-25.2 QB ALA 29 - HB3 PRO 56 far 0 42 0 - 9.3-21.7 HG2 LYS 36 - HB3 GLU 30 far 0 99 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 10799 from cnoeabs.peaks (1.40, 2.29, 35.22 ppm; 4.60 A): 5 out of 27 assignments used, quality = 1.00: QB ALA 28 + HG2 GLU 30 OK 94 96 100 98 1.9-5.2 10792/1.8=57...(20) HG LEU 96 + HG2 GLU 97 OK 70 71 100 100 3.5-5.1 11461/2.9=41...(37) QB ALA 29 + HG2 GLU 30 OK 50 92 55 99 4.5-6.4 3.7/6320=70, 4.9/775=35...(23) HG3 LYS 31 + HG2 GLU 30 OK 48 100 75 64 1.9-8.6 5.0/6328=31...(10) HB2 LEU 96 + HG2 GLU 97 OK 39 59 65 100 5.5-7.4 4.4/3133=29, 3069=28...(38) QB ALA 15 - HG2 GLU 30 far 14 95 15 - 2.0-22.4 HG3 LYS 26 - HG2 GLU 30 far 9 93 10 - 4.0-13.7 QB ALA 16 - HG2 GLU 30 far 5 98 5 - 5.9-20.9 HG2 LYS 95 - HG2 GLU 97 far 3 67 5 - 6.0-10.9 HG3 LYS 95 - HG2 GLU 97 far 3 66 5 - 6.0-10.0 QB ALA 28 - HG2 GLU 97 far 3 63 5 - 5.6-21.7 QB ALA 29 - HG2 GLU 97 far 3 59 5 - 4.5-17.0 HB3 LEU 100 - HG2 GLU 97 far 3 58 5 - 5.5-8.0 QB ALA 108 - HG2 GLU 97 far 0 65 0 - 6.4-17.3 HG2 LYS 24 - HG2 GLU 30 far 0 90 0 - 6.5-16.4 QB ALA 108 - HG2 GLU 30 far 0 97 0 - 7.0-25.2 QB ALA 34 - HG2 GLU 30 far 0 76 0 - 8.0-13.8 HG LEU 96 - HG2 GLU 30 far 0 100 0 - 8.2-23.0 QB ALA 34 - HG2 GLU 97 far 0 46 0 - 8.4-19.7 QB ALA 110 - HG2 GLU 97 far 0 62 0 - 8.5-22.2 HG3 LYS 26 - HG2 GLU 97 far 0 61 0 - 8.5-25.8 QB ALA 109 - HG2 GLU 30 far 0 99 0 - 8.6-26.0 HG2 LYS 24 - HG2 GLU 97 far 0 58 0 - 8.8-33.1 QB ALA 15 - HG2 GLU 97 far 0 62 0 - 8.9-38.6 HG3 LYS 31 - HG2 GLU 97 far 0 69 0 - 9.3-24.6 QB ALA 110 - HG2 GLU 30 far 0 95 0 - 9.4-28.0 HG2 LYS 36 - HG2 GLU 30 far 0 92 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 10800 from cnoeabs.peaks (1.39, 2.33, 35.22 ppm; 4.45 A): 3 out of 23 assignments used, quality = 1.00: QB ALA 29 + HG3 GLU 30 OK 99 99 100 99 3.6-5.7 3.7/6321=70...(23) QB ALA 28 + HG3 GLU 30 OK 98 100 100 99 1.9-3.8 10792=65, 6316/6321=36...(21) HG3 LYS 31 + HG3 GLU 30 OK 40 100 65 61 2.0-8.7 5.0/6329=27...(11) HG3 LYS 26 - HG3 GLU 30 far 15 99 15 - 4.4-12.0 QB ALA 15 - HG3 GLU 30 far 10 100 10 - 3.3-21.9 HG2 LYS 24 - HG3 GLU 30 far 5 99 5 - 5.5-15.1 QB ALA 15 - HG2 GLU 40 far 3 67 5 - 5.5-32.0 HG2 LYS 24 - HG2 GLU 40 far 3 65 5 - 3.5-30.4 QB ALA 16 - HG2 GLU 40 far 3 54 5 - 5.5-30.0 HB2 LEU 42 - HG2 GLU 40 far 0 64 0 - 6.2-7.9 QB ALA 12 - HG3 GLU 30 far 0 63 0 - 6.3-22.4 QB ALA 16 - HG3 GLU 30 far 0 89 0 - 6.7-20.8 QB ALA 108 - HG3 GLU 30 far 0 100 0 - 6.9-24.3 HG2 LYS 36 - HG2 GLU 40 far 0 65 0 - 7.3-13.6 HG2 LYS 19 - HG3 GLU 30 far 0 76 0 - 7.3-23.7 HG3 LYS 26 - HG2 GLU 40 far 0 66 0 - 7.4-29.6 QB ALA 109 - HG3 GLU 30 far 0 100 0 - 7.8-25.1 QB ALA 29 - HG2 GLU 40 far 0 65 0 - 7.8-17.8 QB ALA 12 - HG2 GLU 40 far 0 35 0 - 8.8-33.0 QB ALA 28 - HG2 GLU 40 far 0 67 0 - 9.2-21.5 QB ALA 110 - HG3 GLU 30 far 0 100 0 - 9.4-27.3 HG LEU 96 - HG3 GLU 30 far 0 97 0 - 9.7-21.6 HG2 LYS 36 - HG3 GLU 30 far 0 99 0 - 10.0-15.0 Violated in 0 structures by 0.00 A. Peak 10801 from cnoeabs.peaks (0.88, 2.33, 35.22 ppm; 5.18 A): 0 out of 18 assignments used, quality = 0.00: QD2 LEU 48 - HG3 GLU 30 poor 13 65 20 - 5.1-18.7 QG2 ILE 32 - HG3 GLU 30 far 10 65 15 - 6.4-8.3 QG2 VAL 20 - HG3 GLU 30 far 10 97 10 - 4.4-15.2 QD1 LEU 22 - HG3 GLU 30 far 5 95 5 - 5.0-16.5 QG1 VAL 20 - HG3 GLU 30 far 3 68 5 - 5.8-17.0 QG1 VAL 20 - HG2 GLU 40 far 2 39 5 - 5.0-28.0 QG2 ILE 32 - HG2 GLU 40 far 2 37 5 - 5.9-14.0 QD2 LEU 70 - HG3 GLU 30 far 0 71 0 - 7.0-16.2 QG2 VAL 20 - HG2 GLU 40 far 0 63 0 - 7.4-27.6 QD2 LEU 69 - HG2 GLU 40 far 0 61 0 - 7.9-13.1 QG2 VAL 57 - HG3 GLU 30 far 0 85 0 - 7.9-21.1 QD2 LEU 48 - HG2 GLU 40 far 0 37 0 - 7.9-14.6 QD2 LEU 69 - HG3 GLU 30 far 0 96 0 - 8.0-15.5 QG2 VAL 63 - HG3 GLU 30 far 0 60 0 - 8.1-16.1 QD1 LEU 22 - HG2 GLU 40 far 0 59 0 - 8.4-30.9 QD2 LEU 98 - HG3 GLU 30 far 0 100 0 - 8.9-22.5 QD2 LEU 123 - HG3 GLU 30 far 0 100 0 - 9.2-18.7 QD1 LEU 98 - HG3 GLU 30 far 0 85 0 - 9.2-24.5 Violated in 14 structures by 0.69 A. Peak 10804 from cnoeabs.peaks (0.77, 2.96, 41.80 ppm; 3.58 A): 8 out of 57 assignments used, quality = 0.97: QD1 ILE 32 + HE3 LYS 36 OK 57 98 65 89 1.9-8.5 930/10757=16, 9008=12...(41) QD1 ILE 32 + HE2 LYS 36 OK 51 95 60 89 2.0-8.0 930/10766=13, 9008=13...(41) QD1 ILE 32 + HE2 LYS 31 OK 37 99 55 68 2.3-9.3 9008=8, 9008/1.8=6...(23) QD1 ILE 37 + HE3 LYS 36 OK 32 97 40 82 3.3-7.8 10918/3.0=29...(14) QD1 ILE 32 + HE3 LYS 26 OK 28 98 40 70 3.3-14.4 10704/3.6=8, 930/10766=8...(22) QD1 ILE 32 + HE3 LYS 31 OK 27 98 40 70 2.2-9.8 9008=7, 9008/1.8=7...(33) QD1 ILE 37 + HE2 LYS 36 OK 23 94 30 83 1.9-8.1 10918/3.0=29...(14) QD1 ILE 32 + HE2 LYS 26 OK 21 98 30 71 3.4-14.6 10704/3.6=8, 930/10766=8...(28) QG1 VAL 63 - HE3 LYS 31 far 0 94 0 - 5.6-17.0 QD1 ILE 37 - HE2 LYS 26 far 0 97 0 - 5.7-21.2 QD1 ILE 37 - HE3 LYS 26 far 0 97 0 - 5.8-21.2 QG1 VAL 63 - HE2 LYS 24 far 0 85 0 - 6.0-24.0 QD1 ILE 37 - HE2 LYS 31 far 0 98 0 - 6.0-15.0 QD2 LEU 49 - HE2 LYS 36 far 0 60 0 - 6.0-12.3 QD2 LEU 49 - HE3 LYS 36 far 0 64 0 - 6.2-13.6 QD2 LEU 43 - HE3 LYS 36 far 0 91 0 - 6.5-14.3 QD2 LEU 49 - HE3 LYS 26 far 0 64 0 - 6.5-19.2 QD1 ILE 32 - HE2 LYS 24 far 0 92 0 - 6.7-15.0 QD1 ILE 37 - HE3 LYS 31 far 0 97 0 - 6.8-14.2 QD1 ILE 32 - HE3 LYS 24 far 0 98 0 - 6.8-15.9 QG1 VAL 63 - HE2 LYS 31 far 0 95 0 - 6.9-17.2 QD2 LEU 49 - HE2 LYS 26 far 0 64 0 - 7.0-18.9 QG1 VAL 63 - HE3 LYS 24 far 0 94 0 - 7.0-25.2 QG1 VAL 63 - HE3 LYS 26 far 0 94 0 - 7.2-17.9 QG1 VAL 63 - HE2 LYS 26 far 0 94 0 - 7.3-16.7 QD2 LEU 49 - HE3 LYS 24 far 0 64 0 - 7.5-20.5 QD2 LEU 43 - HE2 LYS 36 far 0 86 0 - 7.6-13.7 QG1 VAL 63 - HE3 LYS 36 far 0 94 0 - 7.6-17.5 QD1 LEU 103 - HE3 LYS 26 far 0 95 0 - 7.9-20.9 QD2 LEU 96 - HE2 LYS 36 far 0 75 0 - 7.9-14.4 QD2 LEU 49 - HE2 LYS 24 far 0 57 0 - 7.9-20.8 QD2 LEU 96 - HE3 LYS 36 far 0 80 0 - 8.1-14.7 QD1 ILE 37 - HE2 LYS 24 far 0 90 0 - 8.1-22.6 QD2 LEU 49 - HE2 LYS 31 far 0 65 0 - 8.2-17.3 QG1 VAL 93 - HE3 LYS 86 far 0 80 0 - 8.2-11.0 QG1 VAL 93 - HE2 LYS 36 far 0 77 0 - 8.3-15.9 QD1 LEU 96 - HE2 LYS 36 far 0 97 0 - 8.3-15.3 QG1 VAL 63 - HE2 LYS 36 far 0 89 0 - 8.3-16.6 QG1 VAL 93 - HE2 LYS 31 far 0 83 0 - 8.4-21.3 QD2 LEU 49 - HE3 LYS 31 far 0 64 0 - 8.4-18.2 QD1 LEU 96 - HE3 LYS 36 far 0 100 0 - 8.6-15.7 QD2 LEU 103 - HE3 LYS 26 far 0 59 0 - 8.6-20.6 QD2 LEU 43 - HE2 LYS 26 far 0 91 0 - 8.7-25.7 QD1 ILE 32 - HE3 LYS 19 far 0 99 0 - 8.7-22.9 QD1 ILE 37 - HE3 LYS 24 far 0 97 0 - 8.8-23.3 QD2 LEU 43 - HE3 LYS 26 far 0 91 0 - 8.9-25.1 QG1 VAL 93 - HE3 LYS 36 far 0 82 0 - 9.0-15.8 QD1 ILE 32 - HE2 LYS 19 far 0 96 0 - 9.1-23.1 QD1 LEU 103 - HE2 LYS 26 far 0 95 0 - 9.1-22.1 QD2 LEU 43 - HE2 LYS 31 far 0 92 0 - 9.2-18.9 QD1 LEU 53 - HE2 LYS 26 far 0 72 0 - 9.3-22.8 QG1 VAL 93 - HE3 LYS 31 far 0 82 0 - 9.4-20.5 QD2 LEU 122 - HE3 LYS 36 far 0 88 0 - 9.5-16.3 QD2 LEU 43 - HE3 LYS 86 far 0 89 0 - 9.7-15.7 QD2 LEU 103 - HE2 LYS 26 far 0 59 0 - 9.8-20.3 QD2 LEU 122 - HE2 LYS 36 far 0 83 0 - 9.8-15.1 QD2 LEU 122 - HE3 LYS 31 far 0 88 0 - 10.0-18.6 Violated in 1 structures by 0.01 A. Peak 10808 from cnoeabs.peaks (8.41, 4.11, 61.16 ppm; 4.60 A): 2 out of 7 assignments used, quality = 0.46: H ASP 35 + HA ILE 32 OK 27 76 40 88 4.8-7.7 4.0/10754=60...(6) H ALA 34 + HA ILE 32 OK 26 76 35 99 5.3-6.7 6369/6360=72...(10) H GLN 27 - HA ILE 32 poor 11 81 35 37 3.8-14.3 5.0/892=10, 6264/920=10...(7) H THR 65 - HA ILE 32 far 0 60 0 - 7.7-17.3 H SER 74 - HA ILE 32 far 0 100 0 - 8.2-18.4 H ASN 13 - HA ILE 32 far 0 63 0 - 8.6-29.3 H HIS 3 - HA ILE 32 far 0 57 0 - 9.6-53.6 Violated in 18 structures by 0.84 A. Peak 10810 from cnoeabs.peaks (8.43, 1.82, 38.56 ppm; 5.58 A): 1 out of 4 assignments used, quality = 0.80: H ALA 34 + HB ILE 32 OK 80 100 80 100 3.5-7.5 10811/2.1=96...(11) H SER 74 - HB ILE 32 far 3 68 5 - 5.7-15.6 H ASN 13 - HB ILE 32 far 0 100 0 - 8.6-29.7 H ASP 47 - HB ILE 32 far 0 71 0 - 9.3-16.9 Violated in 17 structures by 0.87 A. Peak 10811 from cnoeabs.peaks (8.43, 0.85, 17.13 ppm; 4.44 A): 1 out of 4 assignments used, quality = 0.95: H ALA 34 + QG2 ILE 32 OK 95 100 95 100 4.1-6.1 6369/6362=83...(12) H SER 74 - QG2 ILE 32 far 3 68 5 - 5.8-13.8 H ASP 47 - QG2 ILE 32 far 0 71 0 - 6.9-13.0 H ASN 13 - QG2 ILE 32 far 0 100 0 - 8.8-25.5 Violated in 17 structures by 0.45 A. Peak 10812 from cnoeabs.peaks (8.45, 0.78, 12.54 ppm; 4.98 A): 0 out of 6 assignments used, quality = 0.00: H LEU 70 - QD1 ILE 32 poor 18 92 20 - 5.1-8.9 H ASP 47 - QD1 ILE 32 poor 10 99 35 30 5.4-13.8 9181=11, 4.3/9166=9...(7) H ALA 34 - QD1 ILE 32 far 8 85 10 - 4.0-8.4 H VAL 93 - QD1 ILE 32 far 0 90 0 - 8.3-17.2 H ASN 13 - QD1 ILE 32 far 0 93 0 - 9.2-23.5 H ALA 12 - QD1 ILE 32 far 0 99 0 - 9.8-25.3 Violated in 18 structures by 0.75 A. Peak 10813 from cnoeabs.peaks (4.53, 0.78, 12.10 ppm; 5.41 A): 3 out of 3 assignments used, quality = 1.00: HA ASP 35 + QD1 ILE 37 OK 98 99 100 100 4.6-6.9 10807=59, 10794/10873=54...(16) HA SER 38 + QD1 ILE 37 OK 98 98 100 100 2.3-6.2 3.0/6426=87...(32) HA TYR 72 + QD1 ILE 37 OK 79 83 95 100 2.4-9.2 3.4/9024=74...(26) Violated in 1 structures by 0.01 A. Peak 10814 from cnoeabs.peaks (4.24, 1.44, 27.21 ppm; 4.53 A): 3 out of 7 assignments used, quality = 1.00: HA ALA 29 + HG13 ILE 32 OK 99 99 100 100 1.9-5.2 10734/2.9=84...(20) HA GLU 30 + HG13 ILE 32 OK 82 97 85 98 2.9-8.0 3.0/10769=63...(17) HA ALA 28 + HG13 ILE 32 OK 21 100 30 72 5.2-8.7 10776/2.1=22, 3.6/926=17...(13) HA GLN 27 - HG13 ILE 32 poor 17 99 25 67 3.2-9.8 ~10768=16, 3.0/10845=15...(10) HA HIS 67 - HG13 ILE 32 far 0 87 0 - 7.0-12.6 HA ALA 34 - HG13 ILE 32 far 0 97 0 - 7.1-10.2 HB3 SER 38 - HG13 ILE 32 far 0 95 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 10815 from cnoeabs.peaks (4.23, 1.16, 27.21 ppm; 5.01 A): 4 out of 8 assignments used, quality = 1.00: HA ALA 29 + HG12 ILE 32 OK 100 100 100 100 1.9-4.4 10734/2.9=94...(24) HA GLU 30 + HG12 ILE 32 OK 69 100 70 99 3.2-7.2 ~10769=54, 3.0/10843=46...(15) HA GLN 27 + HG12 ILE 32 OK 30 89 40 84 1.9-9.5 3.7/10844=48...(10) HA ALA 28 + HG12 ILE 32 OK 23 97 30 81 5.6-8.1 10776/2.1=24, 3.6/918=18...(15) HB THR 25 - HG12 ILE 32 poor 14 71 20 - 4.3-16.3 HA HIS 67 - HG12 ILE 32 far 0 98 0 - 7.1-13.4 HA ALA 34 - HG12 ILE 32 far 0 100 0 - 7.7-9.4 HB3 SER 38 - HG12 ILE 32 far 0 100 0 - 8.2-15.7 Violated in 0 structures by 0.00 A. Peak 10816 from cnoeabs.peaks (4.27, 1.16, 27.21 ppm; 5.31 A): 3 out of 14 assignments used, quality = 1.00: HA LYS 31 + HG12 ILE 32 OK 100 100 100 100 4.4-6.6 3.6/6354=93, ~10802=38...(25) HA LYS 26 + HG12 ILE 32 OK 47 100 55 85 3.6-13.0 10753/2.1=20...(31) HA LYS 36 + HG12 ILE 32 OK 35 100 35 99 4.5-12.8 ~10810=45, ~10899=45...(28) HA GLN 27 - HG12 ILE 32 poor 20 57 40 86 1.9-9.5 3.7/10844=54...(8) HA GLN 61 - HG12 ILE 32 far 10 99 10 - 4.5-19.5 HA ARG 23 - HG12 ILE 32 far 10 96 10 - 6.1-17.1 HA SER 74 - HG12 ILE 32 far 4 89 5 - 6.4-19.2 HA THR 18 - HG12 ILE 32 far 4 87 5 - 6.8-25.1 HA THR 25 - HG12 ILE 32 lone 1 89 25 7 2.3-14.1 11151/1154=2, 9590/2.1=1 HA ALA 21 - HG12 ILE 32 far 0 90 0 - 8.2-19.4 HA ALA 16 - HG12 ILE 32 far 0 100 0 - 8.2-24.9 HA ALA 15 - HG12 ILE 32 far 0 97 0 - 8.5-26.4 HA LYS 19 - HG12 ILE 32 far 0 99 0 - 9.5-24.9 HA LEU 22 - HG12 ILE 32 far 0 99 0 - 9.6-19.9 Violated in 0 structures by 0.00 A. Peak 10817 from cnoeabs.peaks (4.24, 0.85, 17.13 ppm; 4.13 A): 2 out of 7 assignments used, quality = 0.99: HA ALA 29 + QG2 ILE 32 OK 94 99 95 100 2.7-6.2 10734/2.1=87...(21) HA ALA 34 + QG2 ILE 32 OK 81 97 90 94 4.5-6.3 3.0/10811=56...(9) HA GLN 27 - QG2 ILE 32 poor 20 99 20 - 3.1-10.2 HA HIS 67 - QG2 ILE 32 far 13 87 15 - 4.9-11.8 HA GLU 30 - QG2 ILE 32 far 10 97 10 - 5.4-7.2 HB3 SER 38 - QG2 ILE 32 far 0 95 0 - 6.2-10.3 HA ALA 28 - QG2 ILE 32 far 0 100 0 - 6.5-9.1 Violated in 1 structures by 0.01 A. Peak 10818 from cnoeabs.peaks (4.23, 1.82, 38.56 ppm; 3.77 A): 2 out of 8 assignments used, quality = 0.94: HA ALA 29 + HB ILE 32 OK 90 100 90 100 2.4-7.2 10783=100, 2.1/10790=65...(23) HA GLU 30 + HB ILE 32 OK 36 100 40 91 4.4-7.4 4.9/10790=30...(15) HA GLN 27 - HB ILE 32 far 9 93 10 - 4.8-12.1 HA ALA 34 - HB ILE 32 far 5 100 5 - 4.8-8.5 HA HIS 67 - HB ILE 32 far 0 96 0 - 6.1-12.6 HB THR 25 - HB ILE 32 far 0 63 0 - 6.2-18.6 HA ALA 28 - HB ILE 32 far 0 99 0 - 6.8-10.2 HB3 SER 38 - HB ILE 32 far 0 99 0 - 8.3-14.3 Violated in 10 structures by 0.29 A. Peak 10820 from cnoeabs.peaks (4.23, 4.11, 61.16 ppm; 4.02 A): 1 out of 8 assignments used, quality = 0.89: HA ALA 29 + HA ILE 32 OK 89 100 90 99 4.0-6.9 10734/3.0=72...(14) HA GLN 27 - HA ILE 32 far 14 93 15 - 3.9-12.1 HB THR 25 - HA ILE 32 far 6 63 10 - 4.4-19.0 HA GLU 30 - HA ILE 32 far 0 100 0 - 5.8-7.3 HA ALA 34 - HA ILE 32 far 0 100 0 - 6.8-7.7 HA ALA 28 - HA ILE 32 far 0 99 0 - 7.4-10.5 HA HIS 67 - HA ILE 32 far 0 96 0 - 8.2-15.2 HB3 SER 38 - HA ILE 32 far 0 99 0 - 8.8-14.1 Violated in 19 structures by 1.07 A. Peak 10821 from cnoeabs.peaks (4.39, 4.11, 61.16 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: HA SER 33 + HA ILE 32 OK 100 100 100 100 4.3-4.7 10857=96, 3.0/6360=94...(25) HA ASP 71 - HA ILE 32 far 0 73 0 - 6.5-16.9 HA SER 107 - HA ILE 32 far 0 100 0 - 9.6-24.9 HA CYS 73 - HA ILE 32 far 0 99 0 - 9.8-18.6 Violated in 18 structures by 0.12 A. Peak 10822 from cnoeabs.peaks (3.87, 4.11, 61.16 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.83: HB3 SER 33 + HA ILE 32 OK 83 83 100 100 4.2-4.9 1.8/10858=91...(22) HA GLU 40 - HA ILE 32 far 0 57 0 - 8.4-19.2 HA2 GLY 2 - HA ILE 32 far 0 78 0 - 9.5-55.5 Violated in 2 structures by 0.02 A. Peak 10823 from cnoeabs.peaks (2.66, 4.11, 61.16 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.31: HB2 ASP 35 + HA ILE 32 OK 31 96 35 92 4.6-8.9 1.8/10755=73, 10797=61...(4) Violated in 20 structures by 2.38 A. Peak 10824 from cnoeabs.peaks (2.74, 4.11, 61.16 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.38: HB3 ASP 35 + HA ILE 32 OK 38 97 40 97 4.7-9.3 1.8/10754=94, 10798=39...(6) HB2 ASP 64 - HA ILE 32 far 0 96 0 - 6.6-18.2 HB3 ASP 78 - HA ILE 32 far 0 100 0 - 8.5-25.7 Violated in 19 structures by 2.24 A. Peak 10825 from cnoeabs.peaks (2.96, 1.82, 38.56 ppm; 5.54 A): 6 out of 10 assignments used, quality = 1.00: HE2 LYS 36 + HB ILE 32 OK 95 100 95 100 3.4-7.6 3.0/10833=27, ~10837=26...(57) HE3 LYS 36 + HB ILE 32 OK 74 100 75 99 2.0-7.9 10721/2.1=28...(56) HE2 LYS 31 + HB ILE 32 OK 54 99 60 91 4.3-9.5 10804/3.2=12...(60) HE2 LYS 26 + HB ILE 32 OK 54 97 60 93 4.8-19.8 10766/2.1=14, ~10721=13...(61) HE3 LYS 26 + HB ILE 32 OK 53 97 60 92 4.6-19.4 10721/2.1=14, ~10840=13...(61) HE3 LYS 31 + HB ILE 32 OK 40 97 45 92 4.6-10.3 6.5/10752=10, 7.1/902=10...(60) HB2 CYS 45 - HB ILE 32 poor 19 93 35 57 4.1-12.7 ~10847=44, ~928=9...(5) HE2 LYS 24 - HB ILE 32 far 0 100 0 - 7.3-20.7 HE3 LYS 24 - HB ILE 32 far 0 100 0 - 8.3-20.7 HG CYS 73 - HB ILE 32 far 0 83 0 - 8.6-13.8 Violated in 0 structures by 0.00 A. Peak 10827 from cnoeabs.peaks (4.31, 0.78, 12.54 ppm; 4.64 A): 1 out of 11 assignments used, quality = 0.31: HA LEU 69 + QD1 ILE 32 OK 31 85 50 73 4.5-9.3 2.9/11056=26...(16) HA THR 25 - QD1 ILE 32 poor 16 81 20 - 3.1-11.2 HA LYS 24 - QD1 ILE 32 far 8 76 10 - 2.5-12.8 HA2 GLY 75 - QD1 ILE 32 far 5 99 5 - 2.4-15.2 HA TYR 76 - QD1 ILE 32 far 5 100 5 - 5.7-16.7 HA SER 74 - QD1 ILE 32 far 4 81 5 - 3.7-15.5 HA ARG 23 - QD1 ILE 32 far 3 68 5 - 6.0-14.1 HA ALA 21 - QD1 ILE 32 far 0 78 0 - 7.0-16.5 HA THR 18 - QD1 ILE 32 far 0 83 0 - 7.4-21.0 HA ASN 59 - QD1 ILE 32 far 0 78 0 - 7.8-16.3 HA ALA 15 - QD1 ILE 32 far 0 65 0 - 8.4-22.4 Violated in 17 structures by 1.50 A. Peak 10828 from cnoeabs.peaks (4.38, 0.85, 17.13 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.97: HA SER 33 + QG2 ILE 32 OK 97 97 100 100 3.0-4.5 10777=95, 3.0/6362=86...(34) HA CYS 73 - QG2 ILE 32 far 0 100 0 - 7.1-13.7 HA SER 107 - QG2 ILE 32 far 0 100 0 - 7.7-20.0 Violated in 0 structures by 0.00 A. Peak 10831 from cnoeabs.peaks (1.36, 4.11, 61.16 ppm; 6.80 A): 5 out of 12 assignments used, quality = 1.00: HG2 LYS 36 + HA ILE 32 OK 92 92 100 100 3.1-8.0 ~10901=76, ~10810=71...(56) QB ALA 29 + HA ILE 32 OK 92 92 100 100 4.5-6.6 2.1/10753=100, ~10734=93...(17) HG3 LYS 31 + HA ILE 32 OK 70 71 100 99 2.7-6.9 ~809=62, ~6343=57...(37) HG3 LYS 26 + HA ILE 32 OK 52 90 60 96 1.9-17.3 10704/893=20, ~6343=19...(44) QB ALA 28 + HA ILE 32 OK 34 87 90 43 6.0-9.2 ~10781=18, 6346/6351=15...(4) HG2 LYS 24 - HA ILE 32 far 14 93 15 - 6.5-21.2 QB ALA 15 - HA ILE 32 far 13 89 15 - 4.4-22.3 QB ALA 12 - HA ILE 32 far 5 99 5 - 7.1-22.0 QB ALA 21 - HA ILE 32 far 0 73 0 - 8.6-20.4 HB2 LEU 42 - HA ILE 32 far 0 95 0 - 9.1-14.9 QB ALA 46 - HA ILE 32 far 0 73 0 - 9.4-13.9 HG2 LYS 19 - HA ILE 32 far 0 100 0 - 9.7-27.9 Violated in 0 structures by 0.00 A. Peak 10832 from cnoeabs.peaks (1.67, 4.11, 61.16 ppm; 4.79 A): 6 out of 11 assignments used, quality = 1.00: HD3 LYS 36 + HA ILE 32 OK 85 100 85 100 3.1-7.8 10855/6360=33, ~10901=32...(81) HD2 LYS 36 + HA ILE 32 OK 80 100 80 100 2.2-6.8 10775/10857=34...(81) HD3 LYS 31 + HA ILE 32 OK 65 99 70 94 3.7-8.2 ~809=28, ~6343=26...(35) HD2 LYS 26 + HA ILE 32 OK 52 99 60 87 2.0-17.9 2.9/892=17, 3.5/889=12...(51) HD3 LYS 26 + HA ILE 32 OK 50 97 60 86 2.0-17.0 2.9/892=17, 10767/891=13...(42) HD2 LYS 31 + HA ILE 32 OK 47 99 50 95 4.2-7.8 ~809=28, ~6343=26...(45) HD3 LYS 24 - HA ILE 32 far 5 99 5 - 6.1-20.5 HD2 LYS 24 - HA ILE 32 far 0 99 0 - 7.5-19.6 HD2 LYS 19 - HA ILE 32 far 0 85 0 - 7.5-28.4 HD3 LYS 19 - HA ILE 32 far 0 85 0 - 7.7-29.9 HB2 LEU 69 - HA ILE 32 far 0 100 0 - 7.9-13.3 Violated in 0 structures by 0.00 A. Peak 10833 from cnoeabs.peaks (1.68, 1.82, 38.56 ppm; 4.66 A): 6 out of 9 assignments used, quality = 0.98: HD2 LYS 36 + HB ILE 32 OK 78 97 80 100 2.1-6.8 ~10901=38, 10837/2.1=35...(67) HD3 LYS 36 + HB ILE 32 OK 68 97 70 100 2.3-8.3 ~10901=38, 10837/2.1=33...(68) HD2 LYS 31 + HB ILE 32 OK 27 85 35 91 5.5-9.5 5.2/10752=10, 6.2/902=9...(71) HD3 LYS 31 + HB ILE 32 OK 26 83 35 91 4.1-9.2 10763/3.0=11...(70) HD2 LYS 26 + HB ILE 32 OK 23 83 30 91 4.1-18.3 ~10767=11, 10837/2.1=10...(58) HD3 LYS 26 + HB ILE 32 OK 21 78 30 91 4.0-17.6 10767/2.9=15...(59) HD3 LYS 24 - HB ILE 32 far 0 83 0 - 7.1-19.3 HB2 LEU 69 - HB ILE 32 far 0 97 0 - 8.2-10.5 HD2 LYS 24 - HB ILE 32 far 0 85 0 - 8.5-18.5 Violated in 2 structures by 0.03 A. Peak 10834 from cnoeabs.peaks (2.02, 1.82, 38.56 ppm; 5.92 A): 1 out of 5 assignments used, quality = 0.55: HB3 GLU 30 + HB ILE 32 OK 55 100 55 100 6.3-8.8 10830/895=86, ~10769=73...(22) HB2 GLU 44 - HB ILE 32 far 5 100 5 - 6.0-17.0 HB VAL 20 - HB ILE 32 far 0 85 0 - 8.0-22.2 HB3 GLU 40 - HB ILE 32 far 0 92 0 - 9.0-19.3 HB VAL 63 - HB ILE 32 far 0 100 0 - 9.1-17.5 Violated in 20 structures by 1.46 A. Peak 10837 from cnoeabs.peaks (1.67, 0.85, 17.13 ppm; 3.52 A): 4 out of 12 assignments used, quality = 1.00: HD2 LYS 36 + QG2 ILE 32 OK 99 100 100 99 1.8-4.4 3.5/10810=35...(63) HD3 LYS 36 + QG2 ILE 32 OK 94 100 95 99 1.8-5.2 3.5/10810=35...(64) HD2 LYS 26 + QG2 ILE 32 OK 29 93 40 77 3.5-15.6 3.0/10766=7, 3.0/10840=7...(33) HD3 LYS 26 + QG2 ILE 32 OK 27 90 40 74 2.4-14.9 10767/907=8, 3.0/10766=7...(30) HD3 LYS 31 - QG2 ILE 32 poor 19 93 30 68 4.1-9.0 10763/904=7, 3.0/10757=5...(26) HD2 LYS 31 - QG2 ILE 32 poor 19 95 20 - 4.6-8.4 HD3 LYS 24 - QG2 ILE 32 far 5 93 5 - 3.9-16.7 HD2 LYS 24 - QG2 ILE 32 far 0 95 0 - 5.1-16.1 HB2 LEU 69 - QG2 ILE 32 far 0 100 0 - 6.1-9.8 HD3 LYS 19 - QG2 ILE 32 far 0 71 0 - 7.9-24.7 HD2 LYS 19 - QG2 ILE 32 far 0 71 0 - 8.0-23.4 HD2 LYS 39 - QG2 ILE 32 far 0 100 0 - 9.6-16.1 Violated in 1 structures by 0.02 A. Peak 10840 from cnoeabs.peaks (2.97, 0.85, 17.13 ppm; 3.94 A): 6 out of 10 assignments used, quality = 0.99: HE3 LYS 36 + QG2 ILE 32 OK 85 96 90 98 2.1-5.7 4.9/10810=32, 10757=27...(79) HE2 LYS 36 + QG2 ILE 32 OK 71 90 80 98 1.8-5.7 4.9/10810=32...(78) HE2 LYS 26 + QG2 ILE 32 OK 48 99 60 80 3.2-16.7 10721=13, 1.8/10757=11...(33) HE3 LYS 26 + QG2 ILE 32 OK 47 99 60 79 2.0-16.2 10721=13, 1.8/10757=11...(25) HE3 LYS 31 + QG2 ILE 32 OK 30 99 40 75 3.2-9.4 10757=9, 1.8/10757=7...(28) HE2 LYS 31 + QG2 ILE 32 OK 28 98 40 72 3.1-8.9 10804/930=9, 10757=8...(19) HE3 LYS 24 - QG2 ILE 32 far 5 96 5 - 5.1-18.1 HE2 LYS 24 - QG2 ILE 32 far 4 87 5 - 4.2-18.0 HE2 LYS 19 - QG2 ILE 32 far 0 92 0 - 9.8-24.4 HE3 LYS 19 - QG2 ILE 32 far 0 98 0 - 9.8-24.4 Violated in 0 structures by 0.00 A. Peak 10842 from cnoeabs.peaks (1.68, 1.16, 27.21 ppm; 4.78 A): 6 out of 11 assignments used, quality = 0.99: HD2 LYS 36 + HG12 ILE 32 OK 74 99 75 100 3.5-8.2 ~10901=32, 10837/907=31...(107) HD3 LYS 36 + HG12 ILE 32 OK 69 99 70 100 4.8-9.4 ~10901=32, 10837/907=29...(108) HD2 LYS 26 + HG12 ILE 32 OK 41 89 50 92 2.6-15.6 ~10704=12, 5.0/10816=9...(81) HD3 LYS 26 + HG12 ILE 32 OK 39 85 50 91 2.4-14.9 ~10704=12, 5.0/10816=9...(73) HD2 LYS 31 + HG12 ILE 32 OK 34 90 40 95 3.0-9.2 5.2/10816=19...(86) HD3 LYS 31 + HG12 ILE 32 OK 34 89 40 94 2.0-9.3 5.2/10816=19...(75) HD3 LYS 24 - HG12 ILE 32 far 4 89 5 - 6.1-17.5 HD3 LYS 19 - HG12 ILE 32 far 0 63 0 - 6.7-27.5 HD2 LYS 24 - HG12 ILE 32 far 0 90 0 - 7.1-16.7 HD2 LYS 19 - HG12 ILE 32 far 0 63 0 - 7.2-26.0 HB2 LEU 69 - HG12 ILE 32 far 0 99 0 - 8.1-12.6 Violated in 0 structures by 0.00 A. Peak 10843 from cnoeabs.peaks (1.95, 1.16, 27.21 ppm; 5.23 A): 2 out of 4 assignments used, quality = 0.69: HB2 GLU 30 + HG12 ILE 32 OK 60 100 60 100 5.3-8.2 10769/1.8=94...(23) HB2 GLN 27 + HG12 ILE 32 OK 22 96 25 91 4.8-10.3 3.0/10844=58...(14) HB ILE 37 - HG12 ILE 32 far 0 92 0 - 7.9-13.1 HB2 PRO 58 - HG12 ILE 32 far 0 100 0 - 10.0-23.5 Violated in 15 structures by 0.74 A. Peak 10844 from cnoeabs.peaks (2.38, 1.16, 27.21 ppm; 5.89 A): 1 out of 4 assignments used, quality = 0.24: HG3 GLN 27 + HG12 ILE 32 OK 24 81 40 76 4.2-11.9 3.0/10768=35...(8) HG2 GLN 27 - HG12 ILE 32 far 10 65 15 - 4.6-11.7 HG2 GLN 104 - HG12 ILE 32 far 5 100 5 - 7.3-21.3 HG3 GLU 40 - HG12 ILE 32 far 0 90 0 - 9.3-19.3 Violated in 17 structures by 2.02 A. Peak 10845 from cnoeabs.peaks (1.94, 1.44, 27.21 ppm; 4.93 A): 2 out of 6 assignments used, quality = 0.69: HB2 GLU 30 + HG13 ILE 32 OK 60 93 65 100 4.9-8.5 10829/919=66...(21) HB2 GLN 27 + HG13 ILE 32 OK 21 76 35 79 5.6-10.0 ~10844=40, ~10768=23...(15) HB3 LEU 49 - HG13 ILE 32 far 0 68 0 - 8.0-17.7 HB ILE 37 - HG13 ILE 32 far 0 68 0 - 8.4-12.9 HB2 PRO 58 - HG13 ILE 32 far 0 99 0 - 9.5-22.0 HG LEU 53 - HG13 ILE 32 far 0 99 0 - 9.6-21.9 Violated in 19 structures by 0.76 A. Peak 10846 from cnoeabs.peaks (2.76, 0.78, 12.54 ppm; 4.47 A): 0 out of 6 assignments used, quality = 0.00: HB2 ASP 64 - QD1 ILE 32 poor 12 97 30 40 1.9-13.9 3.0/9411=15, 9413=12...(7) HB3 ASP 35 - QD1 ILE 32 far 10 96 10 - 5.6-10.3 HB2 TYR 76 - QD1 ILE 32 far 5 100 5 - 5.7-15.4 HB2 CYS 73 - QD1 ILE 32 far 5 93 5 - 5.0-14.2 HB3 ASP 78 - QD1 ILE 32 far 4 73 5 - 5.8-20.0 HB3 ASN 13 - QD1 ILE 32 far 0 98 0 - 8.6-25.7 Violated in 16 structures by 1.41 A. Peak 10847 from cnoeabs.peaks (3.14, 0.78, 12.54 ppm; 6.29 A): 1 out of 5 assignments used, quality = 0.47: HB3 CYS 45 + QD1 ILE 32 OK 47 99 65 74 1.8-9.7 9145/10747=28...(12) HD2 ARG 23 - QD1 ILE 32 far 6 60 10 - 3.7-16.9 HB3 TYR 76 - QD1 ILE 32 far 5 99 5 - 5.5-15.1 HD3 ARG 23 - QD1 ILE 32 far 3 60 5 - 3.5-16.9 HB3 HIS 3 - QD1 ILE 32 far 0 92 0 - 9.5-46.6 Violated in 10 structures by 1.04 A. Peak 10848 from cnoeabs.peaks (2.63, 0.78, 12.54 ppm; 5.00 A): 1 out of 3 assignments used, quality = 0.23: HB2 ASP 71 + QD1 ILE 32 OK 23 100 35 67 3.4-10.5 ~10764=38...(9) HB2 ASN 59 - QD1 ILE 32 far 0 99 0 - 8.5-17.6 HB3 CYS 79 - QD1 ILE 32 far 0 90 0 - 8.6-19.3 Violated in 15 structures by 2.06 A. Peak 10849 from cnoeabs.peaks (2.49, 0.78, 12.54 ppm; 5.25 A): 0 out of 4 assignments used, quality = 0.00: HG3 GLU 44 - QD1 ILE 32 poor 17 87 40 50 1.9-15.1 ~10768=22, 3.0/11696=16...(7) HB2 ASP 78 - QD1 ILE 32 far 4 83 5 - 6.7-20.2 HG3 GLN 104 - QD1 ILE 32 lone 0 85 25 2 4.3-16.1 HG3 GLN 127 - QD1 ILE 32 far 0 100 0 - 8.8-16.3 Violated in 14 structures by 1.18 A. Peak 10850 from cnoeabs.peaks (1.81, 4.40, 58.29 ppm; 4.07 A): 2 out of 20 assignments used, quality = 1.00: HB ILE 32 + HA SER 33 OK 100 100 100 100 3.8-4.8 2.1/10777=73...(28) HB2 LYS 36 + HA SER 33 OK 28 100 30 94 4.3-8.3 3.5/10775=30...(19) HB2 LEU 100 - HA SER 107 far 13 85 15 - 5.0-11.0 HB3 LEU 103 - HA SER 107 poor 11 68 30 56 3.9-9.3 ~10106=11, 11609/10272=9...(16) HB3 LYS 26 - HA SER 107 far 9 88 10 - 4.3-27.8 HB3 LYS 24 - HA SER 33 far 5 100 5 - 5.3-21.9 HB3 LYS 19 - HA SER 9 far 5 100 5 - 3.9-23.8 HB3 ARG 23 - HA SER 107 far 4 84 5 - 2.9-35.3 HB3 LEU 98 - HA SER 107 far 0 50 0 - 5.6-16.7 HB3 LYS 24 - HA SER 9 far 0 100 0 - 5.7-30.4 HB3 LYS 31 - HA SER 33 far 0 100 0 - 6.2-9.2 HB3 LYS 26 - HA SER 33 far 0 99 0 - 6.3-18.4 HB3 LEU 122 - HA SER 107 far 0 70 0 - 6.5-13.6 HB2 CYS 79 - HA SER 33 far 0 68 0 - 7.3-20.5 HB ILE 32 - HA SER 107 far 0 88 0 - 7.5-22.3 HB3 LYS 31 - HA SER 107 far 0 89 0 - 7.5-28.5 HB3 LYS 24 - HA SER 107 far 0 89 0 - 8.0-33.4 HB2 CYS 79 - HA SER 9 far 0 67 0 - 8.5-48.9 HB3 ARG 23 - HA SER 33 far 0 97 0 - 9.0-24.0 HB3 ARG 23 - HA SER 9 far 0 97 0 - 9.9-26.7 Violated in 11 structures by 0.13 A. Peak 10851 from cnoeabs.peaks (0.85, 4.40, 58.29 ppm; 4.15 A): 1 out of 12 assignments used, quality = 1.00: QG2 ILE 32 + HA SER 33 OK 100 100 100 100 3.0-4.5 6362/3.0=78, 10828=75...(34) QD2 LEU 70 - HA SER 107 far 9 88 10 - 3.5-12.0 QD1 LEU 98 - HA SER 107 far 4 83 5 - 4.2-15.3 QD2 LEU 98 - HA SER 107 far 3 57 5 - 5.4-13.8 QD2 LEU 70 - HA SER 33 far 0 100 0 - 6.1-13.6 QD2 LEU 22 - HA SER 9 far 0 97 0 - 6.2-24.4 QD2 LEU 69 - HA SER 33 far 0 87 0 - 6.7-13.0 QD2 LEU 22 - HA SER 107 far 0 84 0 - 6.8-33.5 QG2 ILE 32 - HA SER 107 far 0 89 0 - 7.7-20.0 QD2 LEU 69 - HA SER 107 far 0 72 0 - 9.3-14.6 QD2 LEU 22 - HA SER 33 far 0 97 0 - 9.4-23.4 QG2 VAL 57 - HA SER 107 far 0 83 0 - 9.5-15.2 Violated in 4 structures by 0.06 A. Peak 10852 from cnoeabs.peaks (1.40, 4.40, 58.29 ppm; 3.77 A): 3 out of 29 assignments used, quality = 0.98: QB ALA 34 + HA SER 33 OK 90 90 100 100 4.0-4.8 2.9/939=78, 5.0=43...(17) QB ALA 108 + HA SER 107 OK 70 72 100 97 3.6-4.7 2.9/7555=66...(14) HG2 LYS 36 + HA SER 33 OK 29 78 40 91 3.9-7.7 3.0/10775=29...(24) QB ALA 28 - HA SER 107 poor 18 70 25 - 2.0-21.4 QB ALA 29 - HA SER 107 poor 13 64 20 - 2.3-18.1 QB ALA 29 - HA SER 33 far 12 78 15 - 4.0-9.1 QB ALA 109 - HA SER 107 far 8 79 10 - 4.9-7.9 QB ALA 110 - HA SER 107 far 7 68 10 - 4.8-10.9 HG3 LYS 26 - HA SER 33 far 4 81 5 - 4.3-20.0 HB3 LEU 100 - HA SER 107 far 0 62 0 - 5.5-11.3 HG3 LYS 26 - HA SER 107 far 0 66 0 - 5.8-27.6 QB ALA 15 - HA SER 33 far 0 83 0 - 6.0-25.4 HG3 LYS 31 - HA SER 33 far 0 96 0 - 6.2-9.8 HG2 LYS 24 - HA SER 9 far 0 75 0 - 6.4-30.9 HG3 LYS 31 - HA SER 107 far 0 82 0 - 6.7-26.8 HG LEU 96 - HA SER 107 far 0 88 0 - 6.8-15.4 HG2 LYS 24 - HA SER 33 far 0 76 0 - 7.4-23.2 HG3 LYS 26 - HA SER 9 far 0 79 0 - 8.0-34.7 QB ALA 15 - HA SER 107 far 0 68 0 - 8.1-39.3 QB ALA 28 - HA SER 9 far 0 84 0 - 8.4-29.0 QB ALA 16 - HA SER 9 far 0 100 0 - 8.4-18.3 HG2 LYS 24 - HA SER 107 far 0 62 0 - 8.5-35.6 QB ALA 28 - HA SER 33 far 0 85 0 - 8.6-11.6 HB2 LEU 42 - HA SER 33 far 0 73 0 - 9.4-14.0 QB ALA 16 - HA SER 33 far 0 100 0 - 9.4-24.8 QB ALA 15 - HA SER 9 far 0 82 0 - 9.5-17.0 QB ALA 16 - HA SER 107 far 0 89 0 - 9.5-36.0 HG3 LYS 95 - HA SER 107 far 0 74 0 - 9.7-19.9 HB2 LEU 96 - HA SER 107 far 0 64 0 - 9.8-16.3 Violated in 3 structures by 0.02 A. Peak 10853 from cnoeabs.peaks (1.87, 4.40, 58.29 ppm; 4.28 A): 0 out of 5 assignments used, quality = 0.00: HB3 LYS 36 - HA SER 33 poor 19 97 20 - 3.5-8.2 HB3 LEU 48 - HA SER 9 far 0 82 0 - 7.7-45.4 HB3 LEU 119 - HA SER 107 far 0 89 0 - 7.9-17.0 HB2 GLU 40 - HA SER 9 far 0 70 0 - 9.6-50.1 HB3 LYS 36 - HA SER 9 far 0 97 0 - 9.9-37.1 Violated in 19 structures by 2.31 A. Peak 10854 from cnoeabs.peaks (1.66, 4.40, 58.29 ppm; 4.56 A): 2 out of 25 assignments used, quality = 0.93: HD2 LYS 36 + HA SER 33 OK 76 97 80 97 2.1-7.8 10855/3.0=25...(29) HD3 LYS 36 + HA SER 33 OK 71 97 75 97 2.4-8.1 10855/3.0=26...(28) HD3 LYS 26 - HA SER 33 far 15 100 15 - 4.5-20.1 HB2 LEU 98 - HA SER 107 far 13 86 15 - 5.3-16.3 HD3 LYS 31 - HA SER 33 far 10 100 10 - 5.1-10.1 HD2 LYS 26 - HA SER 33 poor 9 100 20 46 4.1-20.5 10763/10857=7...(18) HD2 LYS 24 - HA SER 9 far 5 100 5 - 3.9-31.0 HD2 LYS 31 - HA SER 33 far 5 100 5 - 6.0-10.2 HD3 LYS 24 - HA SER 9 far 5 100 5 - 5.4-31.8 HD3 LYS 19 - HA SER 9 far 5 96 5 - 3.7-22.7 HD2 LYS 19 - HA SER 9 far 5 96 5 - 5.2-23.0 HD2 LYS 26 - HA SER 107 far 4 89 5 - 5.9-28.4 HD3 LYS 26 - HA SER 107 far 0 89 0 - 6.8-27.4 HD2 LYS 31 - HA SER 107 far 0 89 0 - 7.0-27.9 HD3 LYS 31 - HA SER 107 far 0 89 0 - 7.5-27.7 HG LEU 62 - HA SER 107 far 0 82 0 - 7.7-13.7 HD3 LYS 24 - HA SER 33 far 0 100 0 - 8.5-22.3 HD2 LYS 19 - HA SER 33 far 0 97 0 - 8.5-31.1 HB2 LEU 69 - HA SER 33 far 0 98 0 - 8.5-13.2 HB2 LEU 69 - HA SER 107 far 0 85 0 - 8.7-15.8 HD3 LYS 86 - HA SER 9 far 0 100 0 - 8.9-55.8 HD3 LYS 19 - HA SER 33 far 0 97 0 - 9.0-32.3 HD3 LYS 24 - HA SER 107 far 0 89 0 - 9.1-36.5 HD2 LYS 24 - HA SER 33 far 0 100 0 - 9.2-21.1 HD2 LYS 36 - HA SER 107 far 0 84 0 - 9.3-24.5 Violated in 8 structures by 0.48 A. Peak 10856 from cnoeabs.peaks (1.82, 3.85, 63.71 ppm; 4.61 A): 2 out of 7 assignments used, quality = 0.91: HB ILE 32 + HB3 SER 33 OK 80 100 80 100 4.7-6.2 3.0/10859=75...(23) HB2 LYS 36 + HB3 SER 33 OK 53 100 55 97 2.6-7.7 6361/945=33...(19) HB3 LYS 31 - HB3 SER 33 poor 20 99 20 - 4.9-9.5 HB3 LYS 26 - HB3 SER 33 far 15 100 15 - 5.0-19.6 HB3 LYS 24 - HB3 SER 33 far 5 100 5 - 2.9-24.0 HB3 ARG 23 - HB3 SER 33 far 0 100 0 - 7.2-25.3 HB2 CYS 79 - HB3 SER 33 far 0 83 0 - 9.3-21.9 Violated in 16 structures by 0.34 A. Peak 10857 from cnoeabs.peaks (4.11, 4.40, 58.29 ppm; 4.04 A): 1 out of 10 assignments used, quality = 1.00: HA ILE 32 + HA SER 33 OK 100 100 100 100 4.3-4.7 6360/3.0=87, 10821=76...(23) HA GLN 101 - HA SER 107 poor 17 87 20 - 2.6-9.6 HA GLN 104 - HA SER 107 lone 3 66 40 13 3.0-9.2 ~7481=5, ~7545=3...(4) HA LEU 98 - HA SER 107 lone 0 89 25 2 5.0-14.6 HA LEU 48 - HA SER 9 far 0 100 0 - 6.8-47.3 HA CYS 79 - HA SER 9 far 0 99 0 - 8.3-51.4 HA CYS 79 - HA SER 33 far 0 100 0 - 8.7-23.5 HA CYS 45 - HA SER 33 far 0 96 0 - 9.3-16.3 HA ILE 32 - HA SER 107 far 0 89 0 - 9.6-24.9 HA ALA 52 - HA SER 9 far 0 77 0 - 10.0-49.3 Violated in 20 structures by 0.50 A. Peak 10858 from cnoeabs.peaks (4.10, 3.91, 63.71 ppm; 3.94 A): 1 out of 7 assignments used, quality = 0.99: HA ILE 32 + HB2 SER 33 OK 99 99 100 100 4.2-4.8 6360/6367=80...(21) HA GLN 101 - HB2 SER 107 far 9 87 10 - 5.1-11.2 HA GLN 104 - HB2 SER 107 far 4 78 5 - 4.6-10.6 HA LEU 98 - HB2 SER 107 far 0 87 0 - 7.8-16.1 HA3 GLY 114 - HB2 SER 107 far 0 62 0 - 8.7-21.1 HA CYS 45 - HB2 SER 33 far 0 83 0 - 9.8-17.8 HA ILE 32 - HB2 SER 107 far 0 85 0 - 10.0-25.6 Violated in 20 structures by 0.52 A. Peak 10859 from cnoeabs.peaks (4.10, 3.85, 63.71 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 32 + HB3 SER 33 OK 99 99 100 100 4.2-4.9 6360/945=80...(23) Violated in 20 structures by 0.44 A. Peak 10860 from cnoeabs.peaks (1.67, 3.85, 63.71 ppm; 5.23 A): 2 out of 10 assignments used, quality = 0.98: HD3 LYS 36 + HB3 SER 33 OK 84 100 85 99 4.4-9.0 10775/946=38, ~10775=35...(23) HD2 LYS 36 + HB3 SER 33 OK 84 100 85 99 3.6-9.5 10775/946=48...(23) HD3 LYS 26 - HB3 SER 33 poor 18 99 45 40 3.3-21.3 10763/10859=9...(11) HD2 LYS 26 - HB3 SER 33 poor 17 99 40 42 2.5-22.1 10763/10859=10...(11) HD2 LYS 31 - HB3 SER 33 poor 7 100 30 22 4.2-10.7 10763/10859=9...(6) HD3 LYS 31 - HB3 SER 33 poor 7 99 25 26 4.8-9.4 10763/10859=11...(7) HD2 LYS 24 - HB3 SER 33 far 5 100 5 - 6.5-23.2 HD3 LYS 24 - HB3 SER 33 far 5 99 5 - 6.1-24.1 HD2 LYS 19 - HB3 SER 33 far 0 89 0 - 8.1-32.7 HD3 LYS 19 - HB3 SER 33 far 0 89 0 - 9.0-34.2 Violated in 5 structures by 0.44 A. Peak 10861 from cnoeabs.peaks (1.40, 3.85, 63.71 ppm; 4.22 A): 2 out of 10 assignments used, quality = 0.95: QB ALA 34 + HB3 SER 33 OK 93 93 100 100 3.8-5.6 2.1/10864=78, 2.9/949=76...(15) HG2 LYS 36 + HB3 SER 33 OK 24 73 35 93 2.3-7.8 3.0/10856=22...(20) HG3 LYS 31 - HB3 SER 33 far 14 93 15 - 4.1-10.2 HG2 LYS 26 - HB3 SER 33 far 9 63 15 - 4.4-21.8 HG3 LYS 26 - HB3 SER 33 far 8 76 10 - 3.5-21.6 QB ALA 15 - HB3 SER 33 far 4 78 5 - 5.1-25.7 QB ALA 29 - HB3 SER 33 far 4 73 5 - 4.4-9.7 HG2 LYS 24 - HB3 SER 33 far 4 71 5 - 4.5-25.1 QB ALA 16 - HB3 SER 33 far 0 100 0 - 7.4-25.2 QB ALA 28 - HB3 SER 33 far 0 81 0 - 8.9-12.3 Violated in 14 structures by 0.46 A. Peak 10862 from cnoeabs.peaks (0.87, 3.85, 63.71 ppm; 4.90 A): 1 out of 6 assignments used, quality = 0.93: QG2 ILE 32 + HB3 SER 33 OK 93 93 100 100 3.5-5.5 6362/945=84...(27) QG2 VAL 20 - HB3 SER 33 far 8 76 10 - 4.5-22.5 QD2 LEU 22 - HB3 SER 33 far 0 65 0 - 6.9-24.8 QD2 LEU 70 - HB3 SER 33 far 0 96 0 - 7.2-15.4 QD1 LEU 22 - HB3 SER 33 far 0 68 0 - 7.5-25.0 QD2 LEU 69 - HB3 SER 33 far 0 100 0 - 8.9-13.6 Violated in 2 structures by 0.04 A. Peak 10863 from cnoeabs.peaks (0.79, 3.85, 63.71 ppm; 5.36 A): 2 out of 5 assignments used, quality = 0.84: QD1 ILE 32 + HB3 SER 33 OK 64 92 70 100 6.0-7.4 893/10859=77...(22) QD1 ILE 37 + HB3 SER 33 OK 54 95 60 96 5.7-8.5 10792/10864=78...(10) QD1 LEU 70 - HB3 SER 33 far 0 65 0 - 9.3-16.0 QD1 LEU 96 - HB3 SER 33 far 0 83 0 - 9.4-16.5 QG1 VAL 63 - HB3 SER 33 far 0 98 0 - 9.7-16.3 Violated in 19 structures by 0.55 A. Peak 10864 from cnoeabs.peaks (4.21, 3.85, 63.71 ppm; 3.93 A): 1 out of 8 assignments used, quality = 0.34: HA ALA 34 + HB3 SER 33 OK 34 97 35 100 4.5-6.0 10865/1.8=68, 3.0/949=68...(20) HA GLU 30 - HB3 SER 33 far 0 96 0 - 5.7-11.1 HA ALA 29 - HB3 SER 33 far 0 92 0 - 6.3-11.3 HB3 SER 38 - HB3 SER 33 far 0 98 0 - 7.9-13.1 HB THR 25 - HB3 SER 33 far 0 96 0 - 8.1-22.9 HA HIS 67 - HB3 SER 33 far 0 100 0 - 8.7-16.7 HB THR 18 - HB3 SER 33 far 0 83 0 - 8.9-32.8 HA ALA 28 - HB3 SER 33 far 0 73 0 - 9.5-14.1 Violated in 20 structures by 1.53 A. Peak 10865 from cnoeabs.peaks (4.20, 3.91, 63.71 ppm; 3.91 A): 1 out of 13 assignments used, quality = 0.49: HA ALA 34 + HB2 SER 33 OK 49 76 65 100 4.5-6.1 10864/1.8=67, 3.0/944=66...(15) HA VAL 105 - HB2 SER 107 far 8 81 10 - 5.2-8.6 HA HIS 67 - HB2 SER 107 far 4 74 5 - 4.5-12.6 HA GLU 30 - HB2 SER 107 far 3 58 5 - 5.3-22.9 HA SER 99 - HB2 SER 107 lone 0 74 30 1 4.6-15.8 HA GLU 30 - HB2 SER 33 far 0 73 0 - 5.9-11.4 HA ALA 29 - HB2 SER 107 far 0 51 0 - 5.9-23.4 HA ALA 29 - HB2 SER 33 far 0 65 0 - 6.2-10.5 HB THR 25 - HB2 SER 107 far 0 87 0 - 7.3-28.9 HB3 SER 38 - HB2 SER 33 far 0 81 0 - 7.5-12.7 HB THR 25 - HB2 SER 33 far 0 100 0 - 8.2-21.8 HA HIS 67 - HB2 SER 33 far 0 90 0 - 9.6-16.9 HB THR 18 - HB2 SER 107 far 0 84 0 - 9.7-47.7 Violated in 20 structures by 1.25 A. Peak 10866 from cnoeabs.peaks (1.67, 3.92, 63.62 ppm; 5.25 A): 2 out of 17 assignments used, quality = 0.89: HD2 LYS 36 + HB2 SER 33 OK 73 87 85 99 2.9-8.9 10775/3.0=48...(21) HD3 LYS 36 + HB2 SER 33 OK 60 87 70 99 3.6-8.5 10775/3.0=38, ~10775=36...(21) HD3 LYS 26 - HB2 SER 33 poor 14 81 50 35 3.1-20.2 10763/10858=7...(9) HD2 LYS 26 - HB2 SER 33 poor 12 83 40 36 2.0-21.0 10763/10858=7...(9) HD2 LYS 31 - HB2 SER 33 far 8 84 10 - 4.7-10.1 HD3 LYS 31 - HB2 SER 33 poor 6 83 35 21 5.7-10.7 10763/10858=9...(6) HD2 LYS 26 - HB2 SER 107 far 5 98 5 - 4.1-28.6 HD3 LYS 26 - HB2 SER 107 far 5 97 5 - 5.6-27.6 HD3 LYS 24 - HB2 SER 33 far 0 83 0 - 7.2-23.5 HD2 LYS 31 - HB2 SER 107 far 0 99 0 - 7.5-27.0 HD2 LYS 24 - HB2 SER 33 far 0 84 0 - 7.7-22.6 HD3 LYS 31 - HB2 SER 107 far 0 98 0 - 7.9-27.0 HB2 LEU 98 - HB2 SER 107 far 0 89 0 - 8.1-17.9 HG LEU 62 - HB2 SER 107 far 0 81 0 - 8.7-16.6 HD2 LYS 36 - HB2 SER 107 far 0 100 0 - 9.2-25.0 HD2 LYS 19 - HB2 SER 33 far 0 66 0 - 9.6-31.7 HB2 LEU 69 - HB2 SER 107 far 0 100 0 - 9.6-17.4 Violated in 7 structures by 0.44 A. Peak 10868 from cnoeabs.peaks (8.25, 4.22, 53.50 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.85: H SER 33 + HA ALA 34 OK 85 89 100 96 4.1-5.3 6369/3.0=59...(13) Violated in 20 structures by 0.96 A. Peak 10869 from cnoeabs.peaks (7.98, 4.22, 53.50 ppm; 3.77 A): 3 out of 4 assignments used, quality = 1.00: H ILE 37 + HA ALA 34 OK 95 97 100 99 2.7-4.0 6413/10789=55...(11) H LYS 36 + HA ALA 34 OK 84 87 100 96 3.1-3.8 6387/6380=54...(11) H SER 38 + HA ALA 34 OK 62 100 65 96 3.1-6.5 6423/9004=48...(8) H THR 18 - HA ALA 34 far 0 100 0 - 7.0-30.8 Violated in 0 structures by 0.00 A. Peak 10871 from cnoeabs.peaks (1.28, 4.22, 53.50 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: HG12 ILE 37 + HA ALA 34 OK 100 100 100 100 1.8-4.2 2.1/10873=89...(17) Violated in 0 structures by 0.00 A. Peak 10872 from cnoeabs.peaks (0.93, 4.22, 53.50 ppm; 4.42 A): 1 out of 6 assignments used, quality = 1.00: QG2 ILE 37 + HA ALA 34 OK 100 100 100 100 1.7-4.9 9004=99, 2.1/10789=88...(16) QG1 VAL 20 - HA ALA 34 far 0 65 0 - 7.2-24.9 QD1 LEU 48 - HA ALA 34 far 0 97 0 - 8.6-14.8 QD2 LEU 48 - HA ALA 34 far 0 68 0 - 8.8-14.7 QG2 VAL 126 - HA ALA 34 far 0 60 0 - 8.8-16.3 QG1 VAL 126 - HA ALA 34 far 0 78 0 - 9.0-15.7 Violated in 10 structures by 0.13 A. Peak 10873 from cnoeabs.peaks (0.77, 4.22, 53.50 ppm; 3.58 A): 1 out of 8 assignments used, quality = 0.95: QD1 ILE 37 + HA ALA 34 OK 95 100 95 100 1.9-5.1 1094/9004=56, 10830=50...(19) QD1 ILE 32 - HA ALA 34 far 0 100 0 - 5.3-8.7 QD2 LEU 43 - HA ALA 34 far 0 83 0 - 8.0-13.5 QD2 LEU 49 - HA ALA 34 far 0 78 0 - 8.1-13.6 QG1 VAL 93 - HA ALA 34 far 0 71 0 - 8.3-14.9 QD1 LEU 96 - HA ALA 34 far 0 100 0 - 8.6-14.9 QG1 VAL 63 - HA ALA 34 far 0 99 0 - 9.5-17.1 QD2 LEU 96 - HA ALA 34 far 0 68 0 - 9.9-16.0 Violated in 6 structures by 0.22 A. Peak 10874 from cnoeabs.peaks (1.54, 4.22, 53.50 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.76: HG13 ILE 37 + HA ALA 34 OK 76 76 100 100 1.9-3.9 2.1/10873=90...(17) HB3 LEU 42 - HA ALA 34 poor 20 99 20 - 4.5-12.6 HG LEU 69 - HA ALA 34 far 0 73 0 - 8.2-15.0 Violated in 0 structures by 0.00 A. Peak 10876 from cnoeabs.peaks (1.96, 4.22, 53.50 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.89: HB ILE 37 + HA ALA 34 OK 89 99 90 100 2.7-5.5 2.1/9004=69...(15) Violated in 19 structures by 0.78 A. Peak 10877 from cnoeabs.peaks (1.96, 1.42, 18.75 ppm; 4.17 A): 1 out of 9 assignments used, quality = 0.74: HB ILE 37 + QB ALA 34 OK 74 99 75 100 3.8-5.8 10816=82, 10876/2.1=80...(25) HB ILE 37 - QB ALA 16 far 5 51 10 - 4.5-26.6 HB2 PRO 58 - QB ALA 16 far 2 49 5 - 5.1-32.3 HB2 GLU 30 - QB ALA 16 far 0 53 0 - 6.5-21.3 HG2 PRO 113 - QB ALA 16 far 0 27 0 - 7.1-41.5 HB2 GLU 30 - QB ALA 34 far 0 100 0 - 8.2-13.4 HB3 PRO 81 - QB ALA 34 far 0 92 0 - 9.2-18.6 HB3 ARG 90 - QB ALA 34 far 0 98 0 - 9.4-20.0 HG LEU 53 - QB ALA 16 far 0 33 0 - 9.8-32.4 Violated in 18 structures by 0.68 A. Peak 10878 from cnoeabs.peaks (7.98, 1.42, 18.75 ppm; 4.20 A): 4 out of 12 assignments used, quality = 1.00: H LYS 36 + QB ALA 34 OK 95 96 100 99 3.9-4.6 6387/6381=76...(13) H ILE 37 + QB ALA 34 OK 84 89 100 95 3.6-4.9 3.8/10793=52...(11) H SER 38 + QB ALA 34 OK 67 100 75 89 3.3-6.7 6422/10877=51...(7) H THR 18 + QB ALA 16 OK 34 49 85 82 2.9-6.1 6134/3.7=60, 6138/4.7=25...(6) H SER 38 - QB ALA 16 far 3 54 5 - 5.5-27.7 H THR 18 - QB ALA 34 far 0 97 0 - 6.0-26.9 H ILE 37 - QB ALA 16 far 0 42 0 - 6.0-26.4 H VAL 57 - QB ALA 16 far 0 34 0 - 6.4-33.6 H SER 51 - QB ALA 16 far 0 54 0 - 6.9-29.5 H LYS 36 - QB ALA 16 far 0 48 0 - 7.0-27.0 H ASP 64 - QB ALA 16 far 0 31 0 - 9.4-28.1 H ASP 64 - QB ALA 34 far 0 71 0 - 9.5-18.4 Violated in 0 structures by 0.00 A. Peak 10881 from cnoeabs.peaks (4.04, 4.52, 54.77 ppm; 4.58 A): 0 out of 4 assignments used, quality = 0.00: HB2 SER 38 - HA ASP 35 poor 15 76 40 51 4.6-8.3 1.8/10794=28...(4) HA ILE 37 - HA ASP 35 far 0 89 0 - 6.3-7.0 HA GLU 44 - HA ASP 35 far 0 97 0 - 8.3-15.9 HD3 PRO 81 - HA ASP 35 far 0 100 0 - 8.9-19.7 Violated in 19 structures by 1.07 A. Peak 10882 from cnoeabs.peaks (4.12, 2.67, 40.19 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.44: HA ILE 32 + HB2 ASP 35 OK 44 98 45 100 4.6-8.9 10754=97, 10755/1.8=89...(4) HA CYS 45 - HB2 ASP 35 far 5 100 5 - 6.0-17.0 HA CYS 79 - HB2 ASP 35 far 0 96 0 - 7.6-22.0 HA ILE 80 - HB2 ASP 35 far 0 99 0 - 9.7-21.2 Violated in 16 structures by 1.67 A. Peak 10883 from cnoeabs.peaks (4.11, 2.75, 40.19 ppm; 5.37 A): 2 out of 12 assignments used, quality = 0.69: HA ILE 32 + HB3 ASP 35 OK 45 100 45 100 4.7-9.3 10755=100, 10754/1.8=99...(6) HA CYS 79 + HB3 ASP 78 OK 43 56 100 78 4.4-5.8 ~7061=66, 9687/7056=34 HA ILE 32 - HB2 ASP 64 far 3 66 5 - 6.6-18.2 HA LEU 49 - HB2 ASP 64 far 0 65 0 - 7.5-9.8 HA CYS 45 - HB3 ASP 35 far 0 95 0 - 7.6-16.8 HA ILE 80 - HB3 ASP 78 far 0 45 0 - 7.7-8.4 HA GLN 104 - HB2 ASP 64 far 0 47 0 - 7.9-12.5 HA ILE 32 - HB3 ASP 78 far 0 56 0 - 8.5-25.7 HA CYS 45 - HB2 ASP 64 far 0 57 0 - 8.6-11.9 HA CYS 79 - HB3 ASP 35 far 0 100 0 - 8.9-21.8 HA LEU 48 - HB2 ASP 64 far 0 66 0 - 9.6-13.6 HA ALA 52 - HB2 ASP 64 far 0 42 0 - 9.7-13.3 Violated in 11 structures by 0.11 A. Peak 10885 from cnoeabs.peaks (1.41, 4.52, 54.77 ppm; 4.37 A): 1 out of 6 assignments used, quality = 0.99: QB ALA 34 + HA ASP 35 OK 99 99 100 100 3.7-4.1 6381/3.0=88...(13) QB ALA 16 - HA ASP 35 far 5 99 5 - 5.4-28.9 HG2 LYS 26 - HA ASP 35 far 4 83 5 - 5.7-25.4 HG13 ILE 32 - HA ASP 35 far 0 68 0 - 8.2-12.4 HG2 LYS 31 - HA ASP 35 far 0 60 0 - 8.3-15.3 HG3 LYS 31 - HA ASP 35 far 0 78 0 - 8.5-15.1 Violated in 0 structures by 0.00 A. Peak 10887 from cnoeabs.peaks (1.41, 2.67, 40.19 ppm; 5.41 A): 1 out of 7 assignments used, quality = 0.99: QB ALA 34 + HB2 ASP 35 OK 99 99 100 100 4.4-5.6 6381/6383=99...(6) HG13 ILE 32 - HB2 ASP 35 poor 14 68 20 - 5.8-12.2 HG3 LYS 31 - HB2 ASP 35 far 8 78 10 - 6.4-13.6 QB ALA 16 - HB2 ASP 35 far 5 99 5 - 6.4-28.8 HG2 LYS 26 - HB2 ASP 35 lone 4 83 30 17 3.9-24.3 892/10754=14, 10888/1.8=2 HG2 LYS 31 - HB2 ASP 35 far 3 60 5 - 6.0-13.6 QB ALA 28 - HB2 ASP 35 far 0 60 0 - 8.9-15.0 Violated in 5 structures by 0.02 A. Peak 10888 from cnoeabs.peaks (1.42, 2.75, 40.19 ppm; 6.64 A): 3 out of 19 assignments used, quality = 1.00: QB ALA 34 + HB3 ASP 35 OK 100 100 100 100 3.5-5.7 6381/4.0=100...(6) HG2 LYS 86 + HB3 ASP 78 OK 42 55 85 89 6.3-9.0 11742/11206=47...(5) HG13 ILE 32 + HB3 ASP 35 OK 21 76 30 93 6.8-12.6 4.1/10755=91, ~10807=10 QB ALA 16 - HB3 ASP 35 far 14 97 15 - 6.0-28.9 QB ALA 34 - HB3 ASP 78 poor 14 56 25 - 5.4-15.0 HG13 ILE 32 - HB2 ASP 64 poor 13 42 30 - 4.5-15.5 QB ALA 109 - HB2 ASP 64 poor 12 36 35 - 6.4-18.1 HG3 LYS 31 - HB3 ASP 35 far 11 71 15 - 6.3-14.2 HG3 LYS 31 - HB2 ASP 64 poor 8 39 20 - 5.2-20.1 HG2 LYS 26 - HB3 ASP 35 poor 7 89 35 22 3.1-25.6 892/10755=17, 10887/1.8=4 HG2 LYS 31 - HB3 ASP 35 far 7 68 10 - 7.2-14.7 HG2 LYS 26 - HB2 ASP 64 far 5 52 10 - 3.7-22.9 HG2 LYS 31 - HB2 ASP 64 far 4 37 10 - 6.2-20.0 QB ALA 34 - HB2 ASP 64 far 3 65 5 - 8.1-17.7 QB ALA 16 - HB3 ASP 78 far 3 51 5 - 7.6-37.3 HG3 LYS 19 - HB2 ASP 64 far 2 34 5 - 7.9-32.7 QB ALA 16 - HB2 ASP 64 far 0 60 0 - 8.2-26.8 HG13 ILE 32 - HB3 ASP 78 far 0 36 0 - 9.1-25.7 HG3 LYS 31 - HB3 ASP 78 far 0 33 0 - 9.7-29.5 Violated in 0 structures by 0.00 A. Peak 10898 from cnoeabs.peaks (0.87, 1.82, 32.86 ppm; 4.01 A): 2 out of 36 assignments used, quality = 0.90: QG2 ILE 32 + HB2 LYS 36 OK 85 95 90 100 1.7-7.8 10810/1.8=62...(43) QG2 VAL 20 + HB3 LYS 19 OK 34 68 50 100 4.6-6.7 2.1/10712=65...(22) QG2 ILE 32 - HB3 LYS 26 poor 16 88 25 74 3.5-13.3 3.2/889=10, 3.2/913=7...(35) QD2 LEU 69 - HB2 LYS 36 far 15 100 15 - 4.5-13.3 QD1 LEU 22 - HB3 LYS 24 poor 15 59 25 - 2.8-8.4 QD1 LEU 22 - HB3 LYS 19 poor 13 61 50 44 2.6-10.2 409/3.0=6, 10748/1.8=6...(20) QD2 LEU 22 - HB3 LYS 19 poor 13 63 20 - 4.2-9.6 QD2 LEU 22 - HB3 LYS 24 far 9 62 15 - 4.9-8.4 QG2 VAL 20 - HB2 LYS 36 far 7 73 10 - 4.6-23.7 QG2 VAL 20 - HB3 LYS 31 far 7 69 10 - 3.4-18.3 QG2 VAL 20 - HB3 LYS 24 far 7 67 10 - 4.4-9.6 QD1 LEU 98 - HB3 LYS 24 far 5 95 5 - 3.3-29.2 QG2 ILE 32 - HB3 LYS 31 far 5 90 5 - 5.4-7.0 QG2 ILE 32 - HB3 LYS 24 far 4 89 5 - 2.4-16.8 QG2 VAL 20 - HB3 LYS 26 far 3 67 5 - 3.7-14.4 QD2 LEU 98 - HB3 LYS 24 far 0 93 0 - 5.9-27.2 QD2 LEU 22 - HB3 LYS 26 far 0 62 0 - 6.9-13.1 QD1 LEU 22 - HB3 LYS 31 far 0 61 0 - 7.1-18.3 QD2 LEU 22 - HB2 LYS 36 far 0 68 0 - 7.1-28.8 QG2 VAL 57 - HB3 LYS 19 far 0 96 0 - 7.1-29.6 QD2 LEU 22 - HB3 LYS 31 far 0 64 0 - 7.4-18.7 QD1 LEU 22 - HB3 LYS 26 far 0 59 0 - 7.6-12.4 QD2 LEU 70 - HB3 LYS 26 far 0 91 0 - 8.0-17.4 QD1 LEU 98 - HB3 LYS 26 far 0 95 0 - 8.1-25.2 QG2 VAL 57 - HB3 LYS 24 far 0 95 0 - 8.1-23.5 QD2 LEU 123 - HB3 LYS 26 far 0 82 0 - 8.2-18.5 QD2 LEU 69 - HB3 LYS 26 far 0 96 0 - 8.2-17.8 QD2 LEU 70 - HB2 LYS 36 far 0 97 0 - 8.5-15.3 QG2 ILE 32 - HB3 LYS 19 far 0 90 0 - 8.5-23.0 QD2 LEU 98 - HB3 LYS 26 far 0 93 0 - 8.5-23.9 QD2 LEU 69 - HB3 LYS 31 far 0 98 0 - 8.6-15.9 QD1 LEU 22 - HB2 LYS 36 far 0 65 0 - 8.6-29.3 QD2 LEU 70 - HB3 LYS 24 far 0 91 0 - 9.1-21.0 QD2 LEU 70 - HB3 LYS 31 far 0 93 0 - 9.2-16.8 QG2 VAL 57 - HB3 LYS 26 far 0 95 0 - 9.4-22.0 QD2 LEU 123 - HB3 LYS 19 far 0 83 0 - 9.6-29.5 Violated in 8 structures by 0.30 A. Peak 10899 from cnoeabs.peaks (0.84, 1.88, 32.86 ppm; 4.47 A): 1 out of 7 assignments used, quality = 0.82: QG2 ILE 32 + HB3 LYS 36 OK 82 97 85 99 2.0-7.1 10892/6393=52...(48) QD2 LEU 69 - HB3 LYS 36 far 11 71 15 - 3.8-13.1 QD2 LEU 22 - HB3 LYS 36 far 0 100 0 - 6.6-27.9 QD2 LEU 70 - HB3 LYS 36 far 0 96 0 - 7.6-14.8 QG1 VAL 133 - HB3 LYS 36 far 0 99 0 - 8.4-14.2 QG2 ILE 129 - HB3 LYS 36 far 0 76 0 - 8.6-14.4 QD1 LEU 70 - HB3 LYS 36 far 0 68 0 - 8.8-16.1 Violated in 11 structures by 0.50 A. Peak 10900 from cnoeabs.peaks (0.88, 1.38, 24.92 ppm; 4.62 A): 2 out of 43 assignments used, quality = 0.77: QG2 ILE 32 + HG2 LYS 36 OK 71 71 100 100 2.7-6.0 10901/1.8=68...(69) QG1 VAL 20 + HG2 LYS 19 OK 21 24 90 100 4.2-7.1 10712/1.8=97...(18) QG2 ILE 32 - HG3 LYS 26 poor 19 35 55 - 1.9-14.9 QD1 LEU 22 - HG2 LYS 19 poor 18 39 45 - 4.1-11.5 QD2 LEU 69 - HG2 LYS 36 far 15 97 15 - 4.4-12.9 QG2 VAL 20 - HG2 LYS 24 far 10 69 15 - 2.8-9.6 QG1 VAL 20 - HG2 LYS 24 poor 10 41 25 - 2.0-12.0 QG2 ILE 32 - HG3 LYS 31 poor 10 50 20 - 3.9-8.0 QD1 LEU 22 - HG2 LYS 24 poor 9 65 40 34 3.8-8.2 10733/6222=13...(8) QG2 VAL 20 - HG3 LYS 31 far 7 73 10 - 4.6-17.3 QG2 VAL 20 - HG3 LYS 26 far 5 53 10 - 4.4-13.8 QG2 VAL 20 - HG2 LYS 36 far 5 96 5 - 4.8-22.1 QG2 ILE 32 - HG2 LYS 24 far 5 47 10 - 4.5-17.4 QG1 VAL 20 - HG3 LYS 31 far 4 44 10 - 3.8-18.0 QD2 LEU 48 - HG3 LYS 26 far 4 29 15 - 4.5-22.2 QG2 VAL 20 - HG2 LYS 19 far 4 42 10 - 5.8-7.7 QD2 LEU 98 - HG2 LYS 24 far 4 76 5 - 5.5-29.1 QG1 VAL 20 - HG2 LYS 36 far 3 63 5 - 2.4-24.4 QD1 LEU 98 - HG2 LYS 24 far 3 62 5 - 3.3-31.1 QG1 VAL 118 - HG2 LYS 24 far 3 57 5 - 3.9-25.9 QD2 LEU 48 - HG2 LYS 24 far 2 39 5 - 5.1-22.2 QG2 VAL 57 - HG2 LYS 19 far 2 37 5 - 5.6-31.6 QG1 VAL 20 - HG3 LYS 26 far 2 31 5 - 5.5-16.0 QD2 LEU 123 - HG3 LYS 26 far 0 59 0 - 6.4-18.3 QD2 LEU 48 - HG2 LYS 19 far 0 22 0 - 6.5-28.5 QD1 LEU 98 - HG3 LYS 26 far 0 47 0 - 6.6-26.1 QD2 LEU 48 - HG2 LYS 36 far 0 60 0 - 6.7-16.5 QD2 LEU 48 - HG3 LYS 31 far 0 42 0 - 7.0-20.1 QD1 LEU 22 - HG3 LYS 26 far 0 50 0 - 7.1-12.4 QD2 LEU 70 - HG2 LYS 36 far 0 76 0 - 7.6-13.3 QD2 LEU 70 - HG3 LYS 31 far 0 54 0 - 8.1-16.4 QD2 LEU 69 - HG3 LYS 31 far 0 76 0 - 8.4-16.2 QD2 LEU 69 - HG3 LYS 26 far 0 55 0 - 8.4-18.2 QD1 LEU 22 - HG3 LYS 31 far 0 69 0 - 8.4-18.1 QD2 LEU 98 - HG3 LYS 26 far 0 60 0 - 8.4-24.9 QD2 LEU 70 - HG3 LYS 26 far 0 39 0 - 8.5-17.1 QG2 VAL 57 - HG3 LYS 26 far 0 47 0 - 8.6-21.9 QG2 VAL 57 - HG2 LYS 24 far 0 62 0 - 8.8-23.3 QD2 LEU 123 - HG2 LYS 36 far 0 100 0 - 8.8-19.7 QG1 VAL 118 - HG3 LYS 26 far 0 43 0 - 9.1-20.0 QD1 LEU 22 - HG2 LYS 36 far 0 92 0 - 9.2-27.5 QG2 ILE 32 - HG2 LYS 19 far 0 27 0 - 9.6-23.2 QD2 LEU 123 - HG2 LYS 19 far 0 47 0 - 9.8-31.3 Violated in 1 structures by 0.01 A. Peak 10901 from cnoeabs.peaks (0.88, 1.47, 24.92 ppm; 4.96 A): 1 out of 6 assignments used, quality = 0.78: QG2 ILE 32 + HG3 LYS 36 OK 78 78 100 100 1.7-6.1 10810/3.0=65...(71) QG2 VAL 20 - HG3 LYS 36 far 9 92 10 - 3.9-22.1 QD2 LEU 69 - HG3 LYS 36 lone 3 99 30 11 4.5-13.0 11050/4.0=3, ~2193=3...(5) QD2 LEU 70 - HG3 LYS 36 far 0 83 0 - 8.3-13.9 QD1 LEU 22 - HG3 LYS 36 far 0 87 0 - 8.5-27.8 QD2 LEU 123 - HG3 LYS 36 far 0 99 0 - 9.3-19.9 Violated in 2 structures by 0.08 A. Peak 10905 from cnoeabs.peaks (1.17, 4.02, 61.28 ppm; 4.76 A): 1 out of 7 assignments used, quality = 1.00: QB ALA 41 + HA ILE 37 OK 100 100 100 100 1.8-4.4 10819/1089=90...(15) HG12 ILE 32 - HA ILE 37 far 5 100 5 - 6.1-12.3 QG2 THR 18 - HA ILE 37 far 0 100 0 - 6.5-30.8 HG3 LYS 39 - HA ILE 37 far 0 97 0 - 8.5-10.3 QG2 THR 25 - HA ILE 37 far 0 83 0 - 8.6-22.0 QG2 VAL 77 - HA ILE 37 far 0 93 0 - 8.9-15.0 QG2 VAL 132 - HA ILE 37 far 0 60 0 - 10.0-14.9 Violated in 0 structures by 0.00 A. Peak 10906 from cnoeabs.peaks (1.15, 1.97, 38.06 ppm; 5.27 A): 1 out of 6 assignments used, quality = 0.87: QB ALA 41 + HB ILE 37 OK 87 87 100 100 1.7-5.3 10910/2.1=100...(22) QG2 THR 18 - HB ILE 37 far 4 85 5 - 4.4-29.0 HG12 ILE 32 - HB ILE 37 far 0 97 0 - 7.9-13.1 HG3 LYS 39 - HB ILE 37 far 0 100 0 - 7.9-9.8 HG2 LYS 39 - HB ILE 37 far 0 87 0 - 8.2-10.4 QG2 VAL 77 - HB ILE 37 far 0 60 0 - 9.5-13.9 Violated in 2 structures by 0.00 A. Peak 10908 from cnoeabs.peaks (1.41, 1.97, 38.06 ppm; 4.65 A): 1 out of 6 assignments used, quality = 0.99: QB ALA 34 + HB ILE 37 OK 99 99 100 100 3.8-5.8 10877=96, 2.1/10789=92...(25) QB ALA 16 - HB ILE 37 far 10 99 10 - 4.5-26.6 QB ALA 15 - HB ILE 37 far 0 63 0 - 7.1-28.0 HG13 ILE 32 - HB ILE 37 far 0 63 0 - 8.4-12.9 HG3 LYS 26 - HB ILE 37 far 0 60 0 - 9.6-24.6 HG2 LYS 26 - HB ILE 37 far 0 78 0 - 9.7-24.8 Violated in 9 structures by 0.34 A. Peak 10909 from cnoeabs.peaks (0.64, 0.94, 17.33 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.95: QD1 LEU 42 + QG2 ILE 37 OK 95 100 95 100 2.3-6.2 1324/10826=54...(30) QD1 ILE 129 - QG2 ILE 37 far 0 100 0 - 6.4-10.6 Violated in 10 structures by 0.41 A. Peak 10910 from cnoeabs.peaks (1.15, 0.94, 17.33 ppm; 3.40 A): 1 out of 8 assignments used, quality = 0.66: QB ALA 41 + QG2 ILE 37 OK 66 83 80 100 1.9-5.4 9069=74, 10917/1093=41...(19) QG2 THR 18 - QG2 ILE 37 far 4 81 5 - 4.0-23.5 HG12 ILE 32 - QG2 ILE 37 far 0 96 0 - 6.0-10.5 HG2 LYS 39 - QG2 ILE 37 far 0 90 0 - 7.9-10.3 HG3 LYS 39 - QG2 ILE 37 far 0 99 0 - 8.0-9.4 QG2 VAL 132 - QG2 ILE 37 far 0 96 0 - 8.6-11.7 HB3 LEU 62 - QG2 ILE 37 far 0 99 0 - 9.8-18.8 QG1 VAL 132 - QG2 ILE 37 far 0 83 0 - 10.0-13.8 Violated in 12 structures by 0.70 A. Peak 10911 from cnoeabs.peaks (1.40, 0.94, 17.33 ppm; 3.84 A): 3 out of 14 assignments used, quality = 0.96: HG2 LYS 36 + QG2 ILE 37 OK 81 92 90 98 2.9-5.8 3.0/10913=49...(21) QB ALA 34 + QG2 ILE 37 OK 68 76 90 100 2.7-5.5 2.1/9004=71...(23) HB2 LEU 42 + QG2 ILE 37 OK 25 89 30 94 4.6-6.9 3.2/10821=53...(17) QB ALA 16 - QG2 ILE 37 far 10 98 10 - 3.2-22.0 HG2 LYS 24 - QG2 ILE 37 far 0 90 0 - 5.8-23.0 QB ALA 15 - QG2 ILE 37 far 0 95 0 - 6.1-23.2 QB ALA 29 - QG2 ILE 37 far 0 92 0 - 6.4-10.6 HG3 LYS 31 - QG2 ILE 37 far 0 100 0 - 7.8-14.4 HG LEU 96 - QG2 ILE 37 far 0 100 0 - 7.9-12.9 HB2 LEU 96 - QG2 ILE 37 far 0 92 0 - 8.8-13.7 HG3 LYS 26 - QG2 ILE 37 far 0 93 0 - 8.8-20.4 HG2 LYS 86 - QG2 ILE 37 far 0 71 0 - 8.8-16.1 HB3 LEU 100 - QG2 ILE 37 far 0 90 0 - 8.8-15.2 QB ALA 28 - QG2 ILE 37 far 0 96 0 - 9.7-13.8 Violated in 8 structures by 0.14 A. Peak 10912 from cnoeabs.peaks (1.68, 0.94, 17.33 ppm; 4.27 A): 2 out of 15 assignments used, quality = 0.92: HD3 LYS 36 + QG2 ILE 37 OK 73 99 75 99 1.9-6.8 3.5/10913=55...(21) HD2 LYS 36 + QG2 ILE 37 OK 68 99 70 99 2.9-6.6 3.5/10913=55...(21) HB2 LEU 69 - QG2 ILE 37 far 15 99 15 - 3.7-10.2 HD3 LYS 24 - QG2 ILE 37 far 0 89 0 - 6.4-22.6 HD2 LYS 39 - QG2 ILE 37 far 0 100 0 - 7.1-10.9 HD2 LYS 24 - QG2 ILE 37 far 0 90 0 - 7.2-23.3 HD2 LYS 26 - QG2 ILE 37 far 0 89 0 - 7.5-20.6 HD3 LYS 26 - QG2 ILE 37 far 0 85 0 - 7.9-21.7 HD3 LYS 31 - QG2 ILE 37 far 0 89 0 - 8.2-15.2 HD3 LYS 19 - QG2 ILE 37 far 0 63 0 - 8.6-28.1 HD2 LYS 31 - QG2 ILE 37 far 0 90 0 - 8.7-15.0 HD2 LYS 19 - QG2 ILE 37 far 0 63 0 - 8.8-27.6 HD3 LYS 86 - QG2 ILE 37 far 0 87 0 - 8.9-17.6 HB2 LEU 123 - QG2 ILE 37 far 0 65 0 - 9.1-17.4 HD2 LYS 86 - QG2 ILE 37 far 0 87 0 - 9.4-17.9 Violated in 12 structures by 0.30 A. Peak 10913 from cnoeabs.peaks (1.79, 0.94, 17.33 ppm; 4.35 A): 1 out of 9 assignments used, quality = 0.34: HB2 LYS 36 + QG2 ILE 37 OK 34 63 55 99 3.3-6.8 4.6/6414=54...(17) HB ILE 32 - QG2 ILE 37 poor 12 60 20 - 5.3-9.8 HB3 LYS 24 - QG2 ILE 37 far 4 71 5 - 5.8-20.8 HB2 LYS 39 - QG2 ILE 37 far 0 63 0 - 6.7-8.9 HB2 LEU 48 - QG2 ILE 37 far 0 99 0 - 6.9-13.8 HG LEU 100 - QG2 ILE 37 far 0 96 0 - 7.4-15.5 HB3 LEU 122 - QG2 ILE 37 far 0 100 0 - 7.4-16.1 HB3 LYS 19 - QG2 ILE 37 far 0 76 0 - 8.5-26.5 HB3 LYS 31 - QG2 ILE 37 far 0 76 0 - 8.9-13.6 Violated in 18 structures by 1.29 A. Peak 10914 from cnoeabs.peaks (1.16, 1.28, 27.60 ppm; 4.56 A): 1 out of 7 assignments used, quality = 0.98: QB ALA 41 + HG12 ILE 37 OK 98 98 100 100 3.7-5.1 10917/1.8=87...(14) HG12 ILE 32 - HG12 ILE 37 far 5 100 5 - 6.0-12.3 QG2 THR 18 - HG12 ILE 37 far 0 97 0 - 6.3-29.9 QG2 THR 25 - HG12 ILE 37 far 0 68 0 - 7.7-19.2 HG3 LYS 39 - HG12 ILE 37 far 0 100 0 - 8.5-11.2 HG2 LYS 39 - HG12 ILE 37 far 0 65 0 - 9.1-11.8 QG2 VAL 77 - HG12 ILE 37 far 0 83 0 - 9.2-15.9 Violated in 7 structures by 0.09 A. Peak 10915 from cnoeabs.peaks (1.42, 1.28, 27.60 ppm; 4.22 A): 1 out of 8 assignments used, quality = 1.00: QB ALA 34 + HG12 ILE 37 OK 100 100 100 100 1.8-4.9 2.1/10871=69...(25) QB ALA 16 - HG12 ILE 37 far 5 96 5 - 4.8-27.1 HG13 ILE 32 - HG12 ILE 37 far 0 78 0 - 7.0-11.5 HG2 LYS 26 - HG12 ILE 37 far 0 90 0 - 7.7-22.7 HG3 LYS 24 - HG12 ILE 37 far 0 60 0 - 8.1-25.4 HG3 LYS 31 - HG12 ILE 37 far 0 68 0 - 8.7-16.1 HG2 LYS 31 - HG12 ILE 37 far 0 71 0 - 9.2-16.7 HG3 LYS 19 - HG12 ILE 37 far 0 65 0 - 9.2-35.3 Violated in 3 structures by 0.07 A. Peak 10916 from cnoeabs.peaks (1.84, 1.28, 27.60 ppm; 5.00 A): 1 out of 6 assignments used, quality = 0.71: HB2 LYS 36 + HG12 ILE 37 OK 71 76 95 99 3.9-7.5 4.6/6415=70...(14) HB ILE 32 - HG12 ILE 37 poor 20 78 25 - 4.2-10.0 HB2 CYS 79 - HG12 ILE 37 far 0 100 0 - 6.8-17.0 HB3 LYS 24 - HG12 ILE 37 far 0 68 0 - 7.0-23.2 HB3 ARG 23 - HG12 ILE 37 far 0 89 0 - 7.0-26.3 HB3 LYS 26 - HG12 ILE 37 far 0 81 0 - 8.3-21.1 Violated in 16 structures by 0.53 A. Peak 10917 from cnoeabs.peaks (1.16, 1.56, 27.60 ppm; 4.11 A): 1 out of 6 assignments used, quality = 0.73: QB ALA 41 + HG13 ILE 37 OK 73 92 80 100 3.0-6.5 10910/1093=72...(14) HG12 ILE 32 - HG13 ILE 37 far 0 99 0 - 5.6-11.2 QG2 THR 18 - HG13 ILE 37 far 0 90 0 - 5.7-30.0 HG3 LYS 39 - HG13 ILE 37 far 0 100 0 - 7.3-12.0 HG2 LYS 39 - HG13 ILE 37 far 0 81 0 - 7.9-12.5 QG2 VAL 77 - HG13 ILE 37 far 0 68 0 - 9.5-15.4 Violated in 15 structures by 0.99 A. Peak 10918 from cnoeabs.peaks (1.67, 0.78, 12.10 ppm; 3.65 A): 2 out of 14 assignments used, quality = 0.82: HD3 LYS 36 + QD1 ILE 37 OK 63 100 70 91 2.1-7.5 10818/1094=26...(23) HD2 LYS 36 + QD1 ILE 37 OK 50 100 55 91 1.8-6.5 10818/1094=28...(23) HB2 LEU 69 - QD1 ILE 37 far 10 100 10 - 4.2-10.0 HD3 LYS 26 - QD1 ILE 37 far 0 99 0 - 5.3-20.4 HG LEU 43 - QD1 ILE 37 far 0 76 0 - 5.7-11.1 HD2 LYS 26 - QD1 ILE 37 far 0 99 0 - 6.3-20.3 HD3 LYS 31 - QD1 ILE 37 far 0 99 0 - 7.4-14.0 HD2 LYS 31 - QD1 ILE 37 far 0 100 0 - 7.8-15.0 HD2 LYS 39 - QD1 ILE 37 far 0 96 0 - 8.0-11.9 HD3 LYS 24 - QD1 ILE 37 far 0 99 0 - 8.3-21.7 HD2 LYS 86 - QD1 ILE 37 far 0 99 0 - 9.1-18.3 HD2 LYS 24 - QD1 ILE 37 far 0 100 0 - 9.3-21.9 HB2 LEU 123 - QD1 ILE 37 far 0 90 0 - 9.4-17.7 HG LEU 62 - QD1 ILE 37 far 0 87 0 - 10.0-18.6 Violated in 14 structures by 0.60 A. Peak 10919 from cnoeabs.peaks (4.31, 0.94, 17.33 ppm; 4.76 A): 3 out of 11 assignments used, quality = 0.87: HA TYR 76 + QG2 ILE 37 OK 50 100 50 100 2.2-10.5 11155=100, 3.1/9019=84...(23) HA2 GLY 75 + QG2 ILE 37 OK 50 100 50 99 3.8-9.7 3.5/10667=74...(17) HA LEU 69 + QG2 ILE 37 OK 47 90 55 96 1.7-8.1 11028/9022=54...(13) HA ALA 21 - QG2 ILE 37 far 7 71 10 - 5.2-25.0 HA LYS 24 - QG2 ILE 37 far 4 83 5 - 6.0-22.8 HA THR 18 - QG2 ILE 37 far 4 76 5 - 3.8-27.6 HA SER 74 - QG2 ILE 37 far 0 73 0 - 7.1-11.8 HA ARG 23 - QG2 ILE 37 far 0 60 0 - 7.8-21.0 HA THR 25 - QG2 ILE 37 far 0 73 0 - 8.4-20.7 HA PRO 81 - QG2 ILE 37 far 0 78 0 - 8.6-15.6 HA ASP 47 - QG2 ILE 37 far 0 63 0 - 9.0-14.5 Violated in 5 structures by 0.23 A. Peak 10920 from cnoeabs.peaks (4.30, 1.97, 38.06 ppm; 6.80 A): 3 out of 10 assignments used, quality = 0.95: HA LYS 36 + HB ILE 37 OK 78 78 100 100 5.7-6.6 3.6/6413=100...(25) HA TYR 76 + HB ILE 37 OK 60 92 65 100 4.4-12.7 ~9019=90, ~10667=90...(17) HA2 GLY 75 + HB ILE 37 OK 39 81 50 96 6.7-11.6 ~9026=65, 10833/2.1=48...(8) HA ALA 16 - HB ILE 37 far 8 81 10 - 6.2-31.4 HA THR 18 - HB ILE 37 far 5 100 5 - 2.9-32.6 HA ALA 21 - HB ILE 37 far 5 99 5 - 8.3-29.4 HA ALA 15 - HB ILE 37 far 5 96 5 - 7.5-33.0 HA ALA 12 - HB ILE 37 far 5 96 5 - 7.9-36.5 HA ARG 23 - HB ILE 37 far 0 97 0 - 9.8-25.5 HA SER 74 - HB ILE 37 far 0 99 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 10921 from cnoeabs.peaks (8.27, 4.22, 64.43 ppm; 5.00 A): 1 out of 4 assignments used, quality = 0.98: H GLU 40 + HB3 SER 38 OK 98 99 100 99 4.2-5.1 6448/1134=65...(9) H ARG 23 - HB3 SER 38 far 3 63 5 - 4.7-30.1 H LEU 43 - HB3 SER 38 far 0 93 0 - 7.0-8.5 H LEU 69 - HB3 SER 38 far 0 71 0 - 9.0-14.7 Violated in 5 structures by 0.02 A. Peak 10923 from cnoeabs.peaks (1.14, 4.54, 58.15 ppm; 4.38 A): 0 out of 3 assignments used, quality = 0.00: HG3 LYS 39 - HA SER 38 far 9 87 10 - 5.4-6.8 HG2 LYS 39 - HA SER 38 far 5 100 5 - 5.7-7.1 QG2 VAL 132 - HA SER 38 far 0 100 0 - 9.2-13.8 Violated in 20 structures by 1.41 A. Peak 10924 from cnoeabs.peaks (0.95, 4.54, 58.15 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.89: QG2 ILE 37 + HA SER 38 OK 89 89 100 100 4.0-5.7 6423/3.0=70...(38) QG1 VAL 126 - HA SER 38 far 0 100 0 - 9.1-15.0 QD1 LEU 48 - HA SER 38 far 0 60 0 - 9.6-13.7 Violated in 13 structures by 0.48 A. Peak 10929 from cnoeabs.peaks (0.73, 2.39, 35.29 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.32: QD2 LEU 43 + HG3 GLU 40 OK 32 68 55 84 5.6-8.3 11897/3.9=45, ~9126=17...(13) Violated in 20 structures by 1.47 A. Peak 10930 from cnoeabs.peaks (1.17, 2.39, 35.29 ppm; 5.06 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 41 + HG3 GLU 40 OK 100 100 100 100 3.0-5.4 3.0/1274=68...(20) HG3 LYS 39 + HG3 GLU 40 OK 79 95 100 84 2.8-5.8 9059/1.8=36...(8) QG2 THR 25 - HG3 GLU 40 far 4 87 5 - 5.4-24.2 QG2 THR 18 - HG3 GLU 40 far 0 100 0 - 7.7-33.7 HG12 ILE 32 - HG3 GLU 40 far 0 99 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 10931 from cnoeabs.peaks (1.90, 1.17, 17.90 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 40 + QB ALA 41 OK 100 100 100 100 3.9-4.9 6470/3.0=80, 9054=54...(20) HB3 LYS 36 + QB ALA 41 OK 57 83 80 87 1.9-7.3 6405/10904=52, ~10865=37...(8) HB3 LEU 48 - QB ALA 41 far 0 97 0 - 6.8-10.6 HB3 LEU 49 - QB ALA 41 far 0 96 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 10932 from cnoeabs.peaks (2.02, 1.17, 17.90 ppm; 4.29 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 44 + QB ALA 41 OK 99 99 100 100 3.8-4.3 1401/2.1=81, ~1409=59...(22) HB3 GLU 40 + QB ALA 41 OK 82 83 100 100 3.7-5.5 ~6470=45, ~1253=41...(20) HB VAL 20 - QB ALA 41 far 5 93 5 - 5.7-23.7 HB ILE 129 - QB ALA 41 far 0 95 0 - 9.4-11.3 HB2 GLN 134 - QB ALA 41 far 0 100 0 - 9.5-12.1 HB3 GLU 30 - QB ALA 41 far 0 100 0 - 9.6-17.0 Violated in 0 structures by 0.00 A. Peak 10933 from cnoeabs.peaks (4.00, 1.17, 17.90 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: HB2 SER 38 + QB ALA 41 OK 96 97 100 99 2.6-4.9 1.8/9042=63...(12) HA ILE 37 + QB ALA 41 OK 90 90 100 100 1.8-4.4 3.2/10819=68, 10905=50...(15) HA GLN 68 - QB ALA 41 far 0 97 0 - 7.3-10.4 HA VAL 20 - QB ALA 41 far 0 93 0 - 8.2-24.5 Violated in 0 structures by 0.00 A. Peak 10935 from cnoeabs.peaks (4.02, 3.91, 54.68 ppm; 4.61 A): 3 out of 3 assignments used, quality = 0.97: HB2 SER 38 + HA ALA 41 OK 83 98 85 99 4.8-7.2 ~9042=56, ~9042=55...(9) HA GLU 44 + HA ALA 41 OK 71 71 100 100 5.0-5.6 3.0/1409=79, 3.0/1401=78...(17) HA ILE 37 + HA ALA 41 OK 35 100 35 100 4.3-7.5 10905/2.1=71, ~10819=50...(12) Violated in 6 structures by 0.04 A. Peak 10936 from cnoeabs.peaks (4.52, 1.17, 17.90 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.95: HA SER 38 + QB ALA 41 OK 90 90 100 100 3.5-5.0 10845=85, 3.0/9040=73...(17) HA ASP 35 + QB ALA 41 OK 47 100 50 94 1.9-7.6 10795/9043=40, 10806=38...(13) HA TYR 72 - QB ALA 41 poor 13 65 20 - 5.5-8.3 Violated in 1 structures by 0.01 A. Peak 10937 from cnoeabs.peaks (8.29, 3.91, 54.68 ppm; 5.03 A): 2 out of 7 assignments used, quality = 1.00: H LEU 43 + HA ALA 41 OK 98 99 100 98 4.1-4.9 3.9/6515=70, 6496/2.9=56...(11) H GLU 40 + HA ALA 41 OK 91 93 100 98 5.2-5.6 6463/2.9=79, 6491/3.6=33...(9) H GLY 17 - HA ALA 41 far 4 71 5 - 6.4-33.7 H LEU 49 - HA ALA 41 far 0 99 0 - 8.7-11.0 H ALA 21 - HA ALA 41 far 0 95 0 - 9.1-31.8 H LEU 69 - HA ALA 41 far 0 100 0 - 9.2-12.4 H TYR 72 - HA ALA 41 far 0 65 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 10938 from cnoeabs.peaks (1.15, 0.63, 27.44 ppm; 4.88 A): 5 out of 8 assignments used, quality = 0.99: QB ALA 41 + QD1 LEU 42 OK 90 90 100 100 2.5-5.8 10910/10821=75...(14) QG2 VAL 132 + QD1 LEU 42 OK 54 90 65 92 5.2-7.6 10873/2.1=43...(15) HG2 LYS 39 + QD1 LEU 42 OK 47 83 65 87 4.4-8.1 ~10871=36, 10873/2.1=29...(14) HG3 LYS 39 + QD1 LEU 42 OK 41 100 45 91 4.3-7.7 10567/11676=49...(11) QG2 VAL 77 + QD1 LEU 42 OK 29 65 50 88 5.3-8.0 9676/11800=34...(15) QG2 THR 18 - QD1 LEU 42 far 4 89 5 - 6.2-25.5 QG1 VAL 132 - QD1 LEU 42 far 0 73 0 - 7.2-8.6 HG12 ILE 32 - QD1 LEU 42 far 0 99 0 - 7.8-14.8 Violated in 0 structures by 0.00 A. Peak 10939 from cnoeabs.peaks (1.14, 0.56, 24.08 ppm; 4.31 A): 3 out of 5 assignments used, quality = 0.98: QG2 VAL 132 + QD2 LEU 42 OK 86 100 90 96 4.0-6.2 4.4/11894=40...(23) HG2 LYS 39 + QD2 LEU 42 OK 70 100 75 94 3.7-7.9 4.0/10870=53...(18) HG3 LYS 39 + QD2 LEU 42 OK 58 89 70 93 3.5-7.2 4.0/10870=53...(14) QG1 VAL 132 - QD2 LEU 42 far 5 98 5 - 5.5-8.3 HG12 ILE 32 - QD2 LEU 42 far 0 76 0 - 8.6-15.9 Violated in 6 structures by 0.05 A. Peak 10941 from cnoeabs.peaks (2.10, 3.78, 57.62 ppm; 5.29 A): 2 out of 4 assignments used, quality = 0.96: HB3 GLU 44 + HA LEU 43 OK 84 85 100 99 5.6-6.6 6527/3.6=76, ~9140=43...(15) HG3 GLN 134 + HA LEU 43 OK 77 92 85 99 4.1-7.7 11685/3.9=66...(13) HB3 LYS 39 - HA LEU 43 far 4 87 5 - 6.5-9.2 HB VAL 126 - HA LEU 43 far 0 99 0 - 7.2-11.3 Violated in 8 structures by 0.18 A. Peak 10943 from cnoeabs.peaks (0.57, 3.78, 57.62 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 42 + HA LEU 43 OK 97 97 100 100 2.2-5.6 6504/2.8=76, 9085/3.7=71...(23) Violated in 2 structures by 0.04 A. Peak 10944 from cnoeabs.peaks (1.02, 3.78, 57.62 ppm; 5.04 A): 2 out of 2 assignments used, quality = 0.97: QG2 VAL 133 + HA LEU 43 OK 85 85 100 100 3.0-6.1 11072/1345=77...(20) QD1 LEU 69 + HA LEU 43 OK 83 95 90 97 3.8-8.6 11063/1348=70...(11) Violated in 0 structures by 0.00 A. Peak 10945 from cnoeabs.peaks (0.60, 1.73, 40.91 ppm; 6.06 A): 0 out of 0 assignments used, quality = 0.00: Peak 10946 from cnoeabs.peaks (8.54, 2.51, 34.64 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.64: H ALA 46 + HG3 GLU 44 OK 64 99 65 100 4.7-7.6 6531/1424=81, ~1423=50...(11) H HIS 5 - HG3 GLU 44 far 0 96 0 - 8.3-61.8 Violated in 13 structures by 0.92 A. Peak 10947 from cnoeabs.peaks (1.70, 2.34, 34.64 ppm; 4.61 A): 1 out of 6 assignments used, quality = 0.21: HB2 LEU 43 + HG2 GLU 44 OK 21 60 40 86 4.7-7.8 4.6/6528=56, 9140/1.8=40...(6) HG LEU 48 - HG2 GLU 44 lone 3 92 35 9 4.3-8.9 9140/1.8=5, ~11523=3 HD2 LYS 36 - HG2 GLU 44 far 3 60 5 - 4.1-15.9 HD3 LYS 36 - HG2 GLU 44 far 3 60 5 - 4.6-15.0 HD2 LYS 39 - HG2 GLU 44 far 0 81 0 - 7.8-13.5 HD3 LYS 39 - HG2 GLU 44 far 0 92 0 - 9.3-13.9 Violated in 20 structures by 1.79 A. Peak 10948 from cnoeabs.peaks (1.38, 2.34, 34.64 ppm; 4.76 A): 0 out of 11 assignments used, quality = 0.00: QB ALA 28 - HG2 GLU 44 far 15 99 15 - 5.0-21.6 HG3 LYS 26 - HG2 GLU 44 far 5 100 5 - 5.7-30.9 QB ALA 12 - HG2 GLU 44 far 4 87 5 - 5.7-32.1 QB ALA 29 - HG2 GLU 44 lone 2 100 25 7 3.0-18.4 2.1/10786=4, 3056/1418=1 QB ALA 15 - HG2 GLU 44 far 0 100 0 - 6.3-30.7 HG3 LYS 31 - HG2 GLU 44 far 0 95 0 - 6.4-25.6 HG2 LYS 36 - HG2 GLU 44 far 0 100 0 - 6.5-16.3 HB2 LEU 42 - HG2 GLU 44 far 0 100 0 - 7.4-9.2 QB ALA 16 - HG2 GLU 44 far 0 65 0 - 7.6-29.0 HG2 LYS 24 - HG2 GLU 44 far 0 100 0 - 8.3-30.4 HG2 LYS 19 - HG2 GLU 44 far 0 95 0 - 8.5-38.6 Violated in 15 structures by 1.86 A. Peak 10949 from cnoeabs.peaks (1.16, 2.34, 34.64 ppm; 4.67 A): 1 out of 6 assignments used, quality = 0.69: QB ALA 41 + HG2 GLU 44 OK 69 98 70 100 4.3-6.6 10857/3.0=54, ~9064=53...(20) HG12 ILE 32 - HG2 GLU 44 poor 20 100 20 - 4.4-20.2 QG2 THR 25 - HG2 GLU 44 poor 14 68 20 - 3.7-26.0 QG2 THR 18 - HG2 GLU 44 far 0 97 0 - 6.6-32.9 HG3 LYS 39 - HG2 GLU 44 far 0 100 0 - 6.9-11.2 HG2 LYS 39 - HG2 GLU 44 far 0 65 0 - 8.6-12.9 Violated in 18 structures by 1.09 A. Peak 10951 from cnoeabs.peaks (0.79, 3.90, 55.49 ppm; 4.73 A): 1 out of 11 assignments used, quality = 0.99: QD2 LEU 49 + HA ALA 46 OK 99 100 100 99 1.7-2.4 3.2/10899=47...(28) QD2 LEU 122 - HA ALA 46 poor 20 99 20 - 5.5-9.6 QD1 LEU 122 - HA ALA 46 poor 19 96 20 - 5.2-8.8 QD1 LEU 53 - HA ALA 46 poor 18 100 40 46 5.1-8.5 1552/10899=11...(11) QD1 ILE 32 - HA ALA 46 poor 17 87 20 - 5.3-11.6 QD1 LEU 70 - HA ALA 46 poor 15 73 20 - 5.8-10.6 QD1 ILE 37 - HA ALA 46 far 14 90 15 - 6.0-11.7 QD1 LEU 96 - HA ALA 46 far 11 76 15 - 5.8-9.1 QG2 ILE 129 - HA ALA 46 far 7 65 10 - 5.7-8.4 QD2 LEU 119 - HA ALA 46 far 0 99 0 - 8.5-15.8 QG1 VAL 63 - HA ALA 46 far 0 96 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 10952 from cnoeabs.peaks (1.50, 3.90, 55.49 ppm; 5.27 A): 3 out of 5 assignments used, quality = 1.00: HB2 LEU 49 + HA ALA 46 OK 98 99 100 100 3.8-4.8 3.2/10898=81, 1546=57...(21) HG LEU 69 + HA ALA 46 OK 98 98 100 100 2.0-5.3 2.1/9174=85, ~11046=80...(26) HG LEU 42 + HA ALA 46 OK 55 85 65 99 5.6-8.3 ~9177=79, ~9177=76...(9) QB ALA 52 - HA ALA 46 far 0 68 0 - 7.0-7.8 HB2 LEU 53 - HA ALA 46 far 0 90 0 - 7.9-11.6 Violated in 0 structures by 0.00 A. Peak 10953 from cnoeabs.peaks (0.85, 1.34, 16.76 ppm; 3.37 A): 3 out of 8 assignments used, quality = 0.95: QD2 LEU 69 + QB ALA 46 OK 80 81 100 100 1.8-4.2 2.1/11046=61, 11045=49...(23) QG1 VAL 133 + QB ALA 46 OK 61 96 70 92 3.6-6.2 11777/9176=50...(12) QG2 ILE 129 + QB ALA 46 OK 31 65 55 85 3.3-5.7 3.0/11711=44, 11245=40...(12) QD2 LEU 70 - QB ALA 46 poor 20 99 20 - 4.4-9.4 QG2 ILE 32 - QB ALA 46 far 0 99 0 - 6.7-9.9 HG13 ILE 80 - QB ALA 46 far 0 71 0 - 8.5-14.0 QG2 VAL 57 - QB ALA 46 far 0 93 0 - 9.1-10.5 QD2 LEU 98 - QB ALA 46 far 0 63 0 - 9.4-12.7 Violated in 1 structures by 0.02 A. Peak 10954 from cnoeabs.peaks (1.33, 2.84, 39.77 ppm; 4.91 A): 1 out of 4 assignments used, quality = 0.99: QB ALA 46 + HB3 ASP 47 OK 99 99 100 99 4.0-5.0 6568/6571=82...(8) HG2 LYS 19 - HB3 ASP 47 far 0 60 0 - 6.9-39.6 QB ALA 12 - HB3 ASP 47 far 0 73 0 - 8.9-32.9 QB ALA 21 - HB3 ASP 47 far 0 99 0 - 9.6-29.8 Violated in 3 structures by 0.01 A. Peak 10955 from cnoeabs.peaks (1.34, 2.72, 39.77 ppm; 5.38 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 46 + HB2 ASP 47 OK 100 100 100 100 4.0-5.5 6568/6570=89...(8) HG2 LYS 19 - HB2 ASP 47 far 4 81 5 - 5.5-40.3 QB ALA 12 - HB2 ASP 47 far 0 90 0 - 7.9-33.6 QB ALA 21 - HB2 ASP 47 far 0 100 0 - 8.4-30.3 Violated in 1 structures by 0.01 A. Peak 10956 from cnoeabs.peaks (0.92, 2.72, 39.77 ppm; 5.00 A): 3 out of 8 assignments used, quality = 0.95: QD1 LEU 48 + HB2 ASP 47 OK 76 99 90 85 2.0-7.4 4.8/6581=62...(6) QD1 LEU 49 + HB2 ASP 47 OK 56 100 90 62 5.6-7.1 10904/1.8=25...(5) QD2 LEU 48 + HB2 ASP 47 OK 51 99 65 80 3.0-7.2 5.0/6581=59, ~10904=25...(7) QG1 VAL 20 - HB2 ASP 47 far 5 98 5 - 5.2-28.0 QG2 VAL 20 - HB2 ASP 47 far 0 71 0 - 6.8-27.9 QD1 LEU 123 - HB2 ASP 47 far 0 97 0 - 7.1-10.0 QD1 LEU 22 - HB2 ASP 47 far 0 78 0 - 7.5-27.4 QG2 ILE 37 - HB2 ASP 47 far 0 85 0 - 8.8-13.9 Violated in 3 structures by 0.05 A. Peak 10957 from cnoeabs.peaks (1.22, 0.91, 23.93 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.79: QG2 THR 65 + QD2 LEU 48 OK 72 100 75 96 2.0-5.4 9441/2.1=38, 9430=29...(25) QG2 THR 65 + QD1 LEU 48 OK 25 41 65 94 1.8-6.7 9441/2.1=38...(25) QG2 THR 54 - QD1 LEU 123 poor 15 33 45 - 2.4-6.4 QG2 THR 65 - QD1 LEU 123 poor 10 42 25 - 3.5-7.6 QG2 THR 54 - QD2 LEU 48 far 0 89 0 - 6.5-11.9 QG2 THR 54 - QD1 LEU 48 far 0 32 0 - 7.4-11.2 Violated in 10 structures by 0.50 A. Peak 10958 from cnoeabs.peaks (4.03, 1.89, 41.65 ppm; 4.40 A): 0 out of 2 assignments used, quality = 0.00: HA GLU 44 - HB3 LEU 48 poor 17 87 20 - 4.7-7.9 HA ILE 37 - HB3 LEU 48 far 0 97 0 - 8.5-15.6 Violated in 20 structures by 2.30 A. Peak 10959 from cnoeabs.peaks (1.23, 1.50, 41.17 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 65 + HB2 LEU 49 OK 100 100 100 100 1.8-2.7 11703/3.9=78...(34) QG2 THR 54 - HB2 LEU 49 far 0 99 0 - 7.7-11.2 Violated in 0 structures by 0.00 A. Peak 10960 from cnoeabs.peaks (1.21, 1.92, 41.17 ppm; 4.69 A): 1 out of 3 assignments used, quality = 0.85: QG2 THR 65 + HB3 LEU 49 OK 85 85 100 100 1.8-4.1 10966/3.2=80...(29) QG2 THR 65 - HB3 LEU 123 far 4 35 10 - 5.4-9.7 QG2 THR 25 - HB3 LEU 49 far 0 76 0 - 6.2-19.8 Violated in 0 structures by 0.00 A. Peak 10961 from cnoeabs.peaks (0.91, 3.94, 62.66 ppm; 4.26 A): 2 out of 9 assignments used, quality = 0.48: QD2 LEU 48 + HB2 SER 51 OK 31 100 45 70 4.9-7.5 3.8/1492=56...(9) QD1 LEU 48 + HB2 SER 51 OK 24 90 40 67 4.2-6.7 4.0/1492=53...(7) QG2 VAL 20 - HB2 SER 51 far 9 90 10 - 5.1-27.1 QG1 VAL 20 - HB2 SER 51 far 5 100 5 - 2.4-28.3 QD1 LEU 49 - HB2 SER 51 far 0 100 0 - 6.0-7.0 QD1 LEU 123 - HB2 SER 51 far 0 83 0 - 6.4-8.6 QD2 LEU 123 - HB2 SER 51 far 0 76 0 - 6.4-8.8 QD1 LEU 62 - HB2 SER 51 far 0 99 0 - 7.6-12.5 QD1 LEU 22 - HB2 SER 51 far 0 95 0 - 7.7-28.2 Violated in 18 structures by 0.75 A. Peak 10962 from cnoeabs.peaks (0.77, 3.94, 62.66 ppm; 5.13 A): 0 out of 4 assignments used, quality = 0.00: QD1 LEU 53 - HB2 SER 51 poor 14 68 20 - 6.4-8.5 QD2 LEU 49 - HB2 SER 51 far 0 60 0 - 7.6-8.5 QD1 ILE 32 - HB2 SER 51 far 0 98 0 - 9.0-17.8 QD2 LEU 122 - HB2 SER 51 far 0 85 0 - 9.6-13.4 Violated in 20 structures by 1.70 A. Peak 10964 from cnoeabs.peaks (0.86, 1.48, 18.03 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 57 + QB ALA 52 OK 100 100 100 100 1.9-4.0 9317=100, 2.1/9312=82...(21) QD2 LEU 123 + QB ALA 52 OK 27 78 65 52 3.3-5.9 10348/9232=20...(12) QG2 VAL 20 - QB ALA 52 far 9 60 15 - 2.9-20.3 QD2 LEU 69 - QB ALA 52 far 0 99 0 - 5.7-9.4 QD2 LEU 22 - QB ALA 52 far 0 81 0 - 6.5-21.7 QG2 ILE 32 - QB ALA 52 far 0 99 0 - 7.5-14.3 QD2 LEU 70 - QB ALA 52 far 0 99 0 - 8.2-12.4 Violated in 1 structures by 0.00 A. Peak 10965 from cnoeabs.peaks (0.87, 4.13, 54.53 ppm; 4.41 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 57 + HA ALA 52 OK 100 100 100 100 2.9-4.6 9317/2.1=97, 9304=95...(19) QG2 VAL 20 - HA ALA 52 far 11 71 15 - 4.2-26.1 QD2 LEU 123 - HA ALA 52 far 4 87 5 - 5.7-7.6 QD2 LEU 22 - HA ALA 52 far 0 71 0 - 7.7-27.6 QD2 LEU 69 - HA ALA 52 far 0 100 0 - 8.5-12.8 QD1 LEU 22 - HA ALA 52 far 0 63 0 - 9.3-28.2 Violated in 2 structures by 0.01 A. Peak 10966 from cnoeabs.peaks (2.44, 3.65, 49.73 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.92: HG2 GLU 55 + HD3 PRO 56 OK 76 76 100 100 3.7-5.7 6694/4.8=53, 1.8/9291=53...(34) HG2 GLU 55 + HD2 PRO 56 OK 68 68 100 100 3.0-4.9 6694/4.8=53, 1.8/9284=48...(34) HG3 GLN 61 - HD2 PRO 56 far 0 51 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 10970 from cnoeabs.peaks (0.67, 2.09, 32.84 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 62 + HB VAL 57 OK 99 99 100 100 4.6-6.2 9319/2.1=100, ~9316=83...(11) QD2 LEU 100 - HB VAL 57 far 0 98 0 - 8.1-12.6 Violated in 10 structures by 0.16 A. Peak 10971 from cnoeabs.peaks (0.69, 0.95, 21.50 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.69: QD2 LEU 62 + QG1 VAL 57 OK 69 87 80 100 4.9-6.5 9319/2.1=99, 2.1/9311=81...(12) QD2 LEU 100 - QG1 VAL 57 far 0 92 0 - 8.1-12.0 Violated in 20 structures by 1.09 A. Peak 10973 from cnoeabs.peaks (0.95, 2.41, 32.16 ppm; 5.06 A): 2 out of 6 assignments used, quality = 1.00: QG1 VAL 57 + HB3 PRO 58 OK 100 100 100 100 5.2-6.1 9309/3.0=93, 9308/3.0=92...(28) QD1 LEU 119 + HB3 PRO 58 OK 30 99 45 67 5.7-13.4 ~10927=43, 10926/2.3=16...(9) QG1 VAL 112 - HB3 PRO 58 poor 10 83 35 36 5.8-13.6 10135/10930=33, ~10926=4 QG2 VAL 112 - HB3 PRO 58 poor 6 73 30 26 4.2-15.4 11496/10930=21, 10926/2.3=5 QD2 LEU 53 - HB3 PRO 58 far 0 85 0 - 7.9-14.2 QD1 LEU 123 - HB3 PRO 58 far 0 83 0 - 9.4-16.1 Violated in 18 structures by 0.16 A. Peak 10974 from cnoeabs.peaks (8.67, 2.03, 27.78 ppm; 6.19 A): 2 out of 2 assignments used, quality = 1.00: H SER 60 + HG2 PRO 58 OK 99 99 100 100 3.3-5.0 9330/2.3=89, 9338/3.8=84...(16) H PHE 89 + HG2 ARG 90 OK 52 52 100 99 3.9-6.3 7209/4.6=81...(10) Violated in 0 structures by 0.00 A. Peak 10976 from cnoeabs.peaks (2.03, 3.91, 61.50 ppm; 5.43 A): 4 out of 16 assignments used, quality = 1.00: HB VAL 63 + HB2 SER 60 OK 94 95 100 100 5.3-6.3 1902/3.0=86, ~10978=65...(10) HB VAL 63 + HB3 SER 60 OK 94 95 100 100 5.3-6.4 1902/3.0=86, ~10978=65...(10) HG2 PRO 58 + HB3 SER 60 OK 74 99 100 75 4.1-6.4 10974/4.0=32, ~1074=20...(12) HG2 PRO 58 + HB2 SER 60 OK 74 99 100 75 3.6-6.3 10974/4.0=32, ~1074=20...(12) HB2 LEU 62 - HB2 SER 60 poor 20 78 25 - 6.2-8.5 HB2 LEU 62 - HB3 SER 60 poor 16 78 20 - 6.4-9.0 HB3 GLU 30 - HB2 SER 60 far 9 92 10 - 3.3-25.8 HB3 GLU 30 - HB3 SER 60 far 9 92 10 - 4.2-25.2 HB3 GLN 27 - HB2 SER 60 far 7 68 10 - 5.9-21.6 QE MET 11 - HB3 SER 60 far 5 99 5 - 6.0-36.9 QE MET 11 - HB2 SER 60 far 5 99 5 - 6.8-38.4 HB3 GLN 27 - HB3 SER 60 far 3 68 5 - 6.3-21.6 HG3 PRO 113 - HB2 SER 60 far 0 68 0 - 7.1-16.4 HG3 PRO 113 - HB3 SER 60 far 0 68 0 - 7.5-16.6 HB3 MET 11 - HB3 SER 60 far 0 96 0 - 8.6-44.5 HB3 MET 11 - HB2 SER 60 far 0 96 0 - 9.7-46.3 Violated in 0 structures by 0.00 A. Peak 10977 from cnoeabs.peaks (0.92, 3.91, 61.50 ppm; 6.07 A): 4 out of 20 assignments used, quality = 1.00: QG2 VAL 63 + HB2 SER 60 OK 99 99 100 100 5.1-7.0 ~10978=78, ~2020=77...(15) QG2 VAL 63 + HB3 SER 60 OK 99 99 100 100 5.5-7.2 ~10978=78, ~2020=77...(15) QD1 LEU 62 + HB3 SER 60 OK 33 100 50 66 6.5-8.6 10982/4.6=31...(6) QD1 LEU 62 + HB2 SER 60 OK 33 100 50 66 6.3-8.7 10982/4.6=31...(6) QD1 LEU 22 - HB2 SER 60 far 4 76 5 - 4.8-27.1 QD1 LEU 22 - HB3 SER 60 far 4 76 5 - 6.0-28.3 QG2 VAL 112 - HB3 SER 60 lone 1 99 40 2 3.6-16.9 QG2 VAL 112 - HB2 SER 60 lone 1 99 40 2 4.0-17.1 QD1 LEU 119 - HB2 SER 60 far 0 73 0 - 7.6-14.0 QD1 LEU 119 - HB3 SER 60 far 0 73 0 - 7.7-13.9 QG2 VAL 20 - HB3 SER 60 far 0 68 0 - 7.7-25.5 QD2 LEU 48 - HB2 SER 60 far 0 98 0 - 7.9-16.2 QG2 VAL 20 - HB2 SER 60 far 0 68 0 - 8.2-26.8 QG1 VAL 20 - HB2 SER 60 far 0 97 0 - 8.9-29.1 QD2 LEU 48 - HB3 SER 60 far 0 98 0 - 9.1-15.2 QG1 VAL 118 - HB3 SER 60 far 0 87 0 - 9.2-16.1 QG1 VAL 20 - HB3 SER 60 far 0 97 0 - 9.3-27.8 QG1 VAL 118 - HB2 SER 60 far 0 87 0 - 9.4-16.2 QD1 LEU 48 - HB2 SER 60 far 0 99 0 - 9.4-17.4 QD1 LEU 123 - HB3 SER 60 far 0 97 0 - 9.8-16.8 Violated in 0 structures by 0.00 A. Peak 10980 from cnoeabs.peaks (3.63, 2.28, 33.67 ppm; 5.80 A): 1 out of 5 assignments used, quality = 0.98: HD2 PRO 58 + HG2 GLN 61 OK 98 98 100 100 1.9-5.3 10935/1.8=96...(24) HA3 GLY 66 - HG2 GLN 61 far 0 99 0 - 7.6-11.2 HA2 GLY 66 - HG2 GLN 61 far 0 100 0 - 8.0-11.1 HD2 PRO 56 - HG2 GLN 61 far 0 57 0 - 8.8-11.5 HD3 PRO 56 - HG2 GLN 61 far 0 78 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 10985 from cnoeabs.peaks (3.98, 4.28, 57.87 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.50: HA THR 65 + HA GLN 61 OK 50 99 75 68 5.7-6.9 2.9/6833=38...(5) HB3 SER 107 - HA GLN 61 far 0 87 0 - 7.9-15.2 HA VAL 20 - HA GLN 61 far 0 96 0 - 8.5-27.9 HB2 SER 106 - HA GLN 61 far 0 96 0 - 9.1-18.7 Violated in 20 structures by 1.24 A. Peak 10986 from cnoeabs.peaks (0.87, 2.41, 33.67 ppm; 4.11 A): 4 out of 17 assignments used, quality = 1.00: QG2 VAL 57 + HG3 GLN 61 OK 95 100 95 100 3.3-6.3 10938/1.8=77...(28) QD2 LEU 98 + HG2 GLN 101 OK 82 83 100 99 2.5-4.6 10055/1.8=41...(19) QD1 LEU 98 + HG2 GLN 101 OK 63 86 75 98 4.5-6.2 3185/3306=30...(19) QG2 VAL 57 + HG3 GLU 55 OK 48 66 85 86 3.0-5.9 9304/9239=40...(10) QD2 LEU 70 - HG2 GLN 101 poor 17 81 25 87 4.3-8.9 2.1/9489=29...(16) QD2 LEU 123 - HG3 GLN 61 far 4 89 5 - 4.8-11.0 QG2 VAL 20 - HG3 GLN 61 far 4 73 5 - 4.5-25.7 QG2 VAL 20 - HG3 GLU 55 far 2 42 5 - 2.5-28.5 QD2 LEU 22 - HG3 GLN 61 far 0 68 0 - 6.2-24.8 QD2 LEU 123 - HG3 GLU 55 far 0 54 0 - 6.4-10.4 QD1 LEU 22 - HG3 GLN 61 far 0 65 0 - 6.5-25.3 QD2 LEU 22 - HG3 GLU 55 far 0 39 0 - 6.5-32.0 QG2 VAL 20 - HG2 GLN 101 far 0 57 0 - 7.5-30.8 QD2 LEU 69 - HG3 GLN 61 far 0 100 0 - 7.7-14.0 QG2 ILE 32 - HG3 GLN 61 far 0 95 0 - 8.1-16.9 QD1 LEU 22 - HG3 GLU 55 far 0 37 0 - 8.6-32.1 QD2 LEU 70 - HG3 GLN 61 far 0 97 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 10987 from cnoeabs.peaks (0.94, 2.41, 33.67 ppm; 4.23 A): 3 out of 22 assignments used, quality = 1.00: QG1 VAL 57 + HG3 GLN 61 OK 100 100 100 100 2.9-4.4 2.1/10936=80...(28) QG1 VAL 57 + HG3 GLU 55 OK 42 67 65 97 2.7-6.4 9294/1.8=69...(13) QG1 VAL 105 + HG2 GLN 101 OK 22 77 30 95 3.1-9.6 ~10054=52, 10060/3.5=36...(12) QD2 LEU 53 - HG3 GLN 61 poor 17 81 35 61 4.2-12.5 9256/1.8=44...(5) QD1 LEU 123 - HG3 GLN 61 far 4 87 5 - 5.6-12.9 QD1 LEU 48 - HG3 GLN 61 far 4 78 5 - 5.1-12.9 QD1 LEU 123 - HG3 GLU 55 far 3 52 5 - 5.5-10.2 QD2 LEU 53 - HG3 GLU 55 far 2 47 5 - 5.7-8.3 QD1 LEU 119 - HG3 GLN 61 far 0 100 0 - 6.1-12.4 QD1 LEU 119 - HG3 GLU 55 far 0 67 0 - 6.4-15.0 QG2 VAL 112 - HG3 GLN 61 far 0 78 0 - 7.0-16.5 QG1 VAL 112 - HG3 GLN 61 far 0 78 0 - 7.4-14.8 QD1 LEU 119 - HG2 GLN 101 far 0 86 0 - 8.0-14.2 QG1 VAL 126 - HG2 GLN 101 far 0 81 0 - 8.0-11.2 QG2 VAL 126 - HG2 GLN 101 far 0 70 0 - 8.1-12.4 QG2 VAL 126 - HG3 GLN 61 far 0 87 0 - 8.2-12.3 QD1 LEU 48 - HG3 GLU 55 far 0 46 0 - 8.6-12.2 QG2 VAL 112 - HG3 GLU 55 far 0 46 0 - 9.1-18.1 QG1 VAL 126 - HG3 GLN 61 far 0 97 0 - 9.1-12.6 QG1 VAL 112 - HG3 GLU 55 far 0 46 0 - 9.4-16.1 QG2 VAL 126 - HG3 GLU 55 far 0 52 0 - 9.8-15.3 QG2 ILE 37 - HG3 GLN 61 far 0 97 0 - 9.8-20.5 Violated in 0 structures by 0.00 A. Peak 10988 from cnoeabs.peaks (0.95, 2.10, 28.56 ppm; 4.31 A): 3 out of 22 assignments used, quality = 1.00: QG1 VAL 57 + HB3 GLN 61 OK 100 100 100 100 3.5-5.2 2.1/9378=84, 9377/3.0=63...(29) QG1 VAL 57 + HB2 GLN 61 OK 99 99 100 100 3.3-5.2 9377/3.0=63, ~9378=59...(27) QG1 VAL 105 + HB2 GLU 102 OK 38 59 65 100 4.1-8.0 2.1/11456=74, ~11508=45...(19) QD2 LEU 53 - HB2 GLN 61 poor 18 92 20 - 4.5-12.3 QD2 LEU 53 - HB3 GLN 61 far 5 93 5 - 5.7-12.6 QD1 LEU 48 - HB3 GLN 61 far 3 60 5 - 5.5-13.0 QD1 LEU 48 - HB2 GLN 61 far 3 59 5 - 5.8-11.7 QD1 LEU 119 - HB2 GLU 102 far 0 56 0 - 6.5-13.1 QD1 LEU 123 - HB2 GLN 61 far 0 70 0 - 6.8-13.4 QD1 LEU 119 - HB3 GLN 61 far 0 97 0 - 7.3-13.9 QD1 LEU 123 - HB3 GLN 61 far 0 71 0 - 7.6-14.4 QD1 LEU 119 - HB2 GLN 61 far 0 96 0 - 7.6-14.6 QG2 VAL 112 - HB3 GLN 61 far 0 60 0 - 7.8-17.0 QG1 VAL 112 - HB3 GLN 61 far 0 92 0 - 8.1-15.3 QG2 ILE 37 - HB2 GLN 61 far 0 88 0 - 8.6-19.1 QG2 VAL 112 - HB2 GLN 61 far 0 59 0 - 8.8-18.4 QG1 VAL 112 - HB2 GLN 61 far 0 91 0 - 9.1-16.7 QG2 VAL 126 - HB2 GLN 61 far 0 96 0 - 9.3-12.5 QG1 VAL 126 - HB2 GLN 61 far 0 99 0 - 9.6-12.1 QG1 VAL 112 - HB2 GLU 102 far 0 51 0 - 9.8-16.2 QG2 VAL 112 - HB2 GLU 102 far 0 30 0 - 9.8-18.4 QG2 ILE 37 - HB3 GLN 61 far 0 89 0 - 9.9-19.8 Violated in 2 structures by 0.02 A. Peak 10989 from cnoeabs.peaks (0.87, 2.28, 33.67 ppm; 4.43 A): 1 out of 8 assignments used, quality = 1.00: QG2 VAL 57 + HG2 GLN 61 OK 100 100 100 100 3.4-5.0 10936/1.8=89...(26) QD2 LEU 123 - HG2 GLN 61 far 4 89 5 - 5.9-11.0 QG2 VAL 20 - HG2 GLN 61 far 4 73 5 - 5.8-25.2 QD2 LEU 22 - HG2 GLN 61 far 3 68 5 - 5.9-24.8 QD1 LEU 22 - HG2 GLN 61 far 3 65 5 - 5.7-24.7 QD2 LEU 69 - HG2 GLN 61 far 0 100 0 - 7.4-13.9 QG2 ILE 32 - HG2 GLN 61 far 0 95 0 - 7.8-16.2 QD2 LEU 70 - HG2 GLN 61 far 0 97 0 - 10.0-14.8 Violated in 5 structures by 0.07 A. Peak 10990 from cnoeabs.peaks (8.65, 0.68, 23.19 ppm; 4.39 A): 2 out of 6 assignments used, quality = 0.96: H HIS 67 + QD2 LEU 62 OK 89 100 100 89 4.3-5.9 9461=46, 6864/9384=38...(10) H HIS 67 + QD2 LEU 100 OK 65 65 100 100 2.6-5.4 11037/2.1=69, 9461=53...(21) H SER 50 - QD2 LEU 62 poor 20 99 20 - 4.7-7.5 H SER 60 - QD2 LEU 62 far 0 92 0 - 6.4-7.3 H SER 60 - QD2 LEU 100 far 0 56 0 - 7.0-11.5 H SER 50 - QD2 LEU 100 far 0 63 0 - 7.5-13.0 Violated in 1 structures by 0.00 A. Peak 10992 from cnoeabs.peaks (0.80, 1.65, 26.14 ppm; 3.47 A): 3 out of 11 assignments used, quality = 0.94: QD2 LEU 119 + HG LEU 62 OK 87 100 90 97 1.8-9.5 3795/2.1=26, 3793=23...(41) QD1 LEU 53 + HG LEU 62 OK 40 100 45 89 2.4-8.2 ~10338=39, ~10338=35...(14) QD1 LEU 122 + HG LEU 62 OK 27 98 55 50 3.0-8.1 ~9395=6, 11422/3946=5...(26) QD2 LEU 122 - HG LEU 62 poor 13 97 30 45 2.6-7.9 ~11793=5, 11422/3946=4...(22) QD1 LEU 103 - HG LEU 62 far 9 90 10 - 3.5-9.3 QD2 LEU 49 - HG LEU 62 far 0 100 0 - 5.4-8.1 QG1 VAL 63 - HG LEU 62 far 0 92 0 - 6.3-7.6 QD1 LEU 70 - HG LEU 62 far 0 81 0 - 7.6-11.5 QD1 LEU 96 - HG LEU 62 far 0 68 0 - 7.6-11.5 QD1 ILE 32 - HG LEU 62 far 0 81 0 - 8.4-14.9 QD1 ILE 37 - HG LEU 62 far 0 85 0 - 10.0-18.6 Violated in 2 structures by 0.12 A. Peak 10994 from cnoeabs.peaks (0.80, 3.85, 57.95 ppm; 3.91 A): 3 out of 11 assignments used, quality = 0.88: QD2 LEU 119 + HA LEU 62 OK 80 100 85 94 3.5-12.7 10992/3.7=29...(23) QD1 LEU 53 + HA LEU 62 OK 26 100 45 57 3.1-9.3 3.1/10998=16...(14) QD2 LEU 49 + HA LEU 62 OK 21 100 35 59 4.6-7.2 9422/1970=20...(9) QD1 LEU 122 - HA LEU 62 poor 17 98 30 58 3.6-8.0 11110/10997=21...(17) QD2 LEU 122 - HA LEU 62 poor 10 97 25 41 4.3-7.9 2016/4.9=5, 9431/10993=5...(13) QD1 ILE 32 - HA LEU 62 far 0 81 0 - 5.5-14.3 QG1 VAL 63 - HA LEU 62 far 0 92 0 - 5.9-6.2 QD1 LEU 103 - HA LEU 62 far 0 90 0 - 6.4-9.5 QD1 ILE 37 - HA LEU 62 far 0 85 0 - 7.2-16.7 QD1 LEU 70 - HA LEU 62 far 0 81 0 - 7.6-11.0 QD1 LEU 96 - HA LEU 62 far 0 68 0 - 8.1-10.9 Violated in 14 structures by 0.23 A. Peak 10995 from cnoeabs.peaks (0.76, 1.14, 42.10 ppm; 4.56 A): 3 out of 7 assignments used, quality = 0.98: QG1 VAL 63 + HB3 LEU 62 OK 79 83 95 100 5.1-6.2 2.1/11012=87...(30) QD2 LEU 103 + HB3 LEU 62 OK 75 78 100 96 2.5-6.0 11823=56, 9362/9360=38...(21) QD1 LEU 103 + HB3 LEU 62 OK 54 85 65 98 4.0-7.8 2.1/11823=76...(21) QD2 LEU 122 - HB3 LEU 62 poor 20 73 40 67 4.0-8.3 9395/1.8=20, ~10992=8...(23) QD1 ILE 32 - HB3 LEU 62 far 0 93 0 - 7.0-15.7 QD1 LEU 96 - HB3 LEU 62 far 0 98 0 - 9.0-12.2 QD1 ILE 37 - HB3 LEU 62 far 0 90 0 - 9.4-18.0 Violated in 5 structures by 0.06 A. Peak 10996 from cnoeabs.peaks (1.48, 0.68, 23.19 ppm; 3.04 A): 1 out of 5 assignments used, quality = 0.55: QB ALA 52 + QD2 LEU 62 OK 55 100 55 100 2.3-5.6 9232=94, 9317/9319=44...(18) HB2 LEU 49 - QD2 LEU 62 poor 20 83 50 47 2.2-6.0 1.8/10944=20...(8) HB2 LEU 49 - QD2 LEU 100 far 0 48 0 - 4.9-11.4 QB ALA 52 - QD2 LEU 100 far 0 66 0 - 5.3-11.6 HG LEU 42 - QD2 LEU 100 far 0 62 0 - 9.9-14.2 Violated in 18 structures by 1.37 A. Peak 10997 from cnoeabs.peaks (1.23, 3.85, 57.95 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 65 + HA LEU 62 OK 100 100 100 100 2.1-5.1 2.1/1970=84, 10993=79...(17) QG2 THR 54 - HA LEU 62 far 0 92 0 - 8.4-11.7 Violated in 1 structures by 0.00 A. Peak 10998 from cnoeabs.peaks (1.53, 3.85, 57.95 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.50: HB2 LEU 119 + HA LEU 62 OK 36 93 40 96 5.1-11.8 10951/3.0=45...(19) HB2 LEU 53 + HA LEU 62 OK 23 97 30 77 4.9-10.9 11809/4.1=44...(8) HG LEU 103 - HA LEU 62 far 0 71 0 - 6.8-10.2 HG LEU 69 - HA LEU 62 far 0 89 0 - 8.1-11.7 Violated in 18 structures by 1.31 A. Peak 10999 from cnoeabs.peaks (4.31, 3.85, 57.95 ppm; 5.80 A): 1 out of 6 assignments used, quality = 0.78: HA ASN 59 + HA LEU 62 OK 78 78 100 100 4.8-5.4 6780/2.9=70, 9388/4.1=68...(18) HA ALA 21 - HA LEU 62 far 0 78 0 - 7.9-30.5 HA THR 25 - HA LEU 62 far 0 81 0 - 8.2-21.6 HA ALA 110 - HA LEU 62 far 0 63 0 - 8.8-20.6 HA THR 18 - HA LEU 62 far 0 83 0 - 8.9-34.8 HA ALA 12 - HA LEU 62 far 0 65 0 - 9.0-39.3 Violated in 0 structures by 0.00 A. Peak 11000 from cnoeabs.peaks (4.33, 1.65, 26.14 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 59 + HG LEU 62 OK 100 100 100 100 3.6-5.1 9388/2.1=95, 1880/3.0=88...(23) Violated in 4 structures by 0.03 A. Peak 11001 from cnoeabs.peaks (4.00, 0.91, 26.02 ppm; 4.62 A): 2 out of 10 assignments used, quality = 0.82: HA LEU 119 + QD1 LEU 62 OK 71 83 95 91 1.6-7.5 3.7/2009=25, 2.8/7649=23...(24) HA SER 60 + QD1 LEU 62 OK 39 100 45 86 4.7-7.4 1901/6810=27...(12) HA LEU 103 - QD1 LEU 62 poor 14 97 40 37 5.2-9.7 4.1/11722=19...(5) HB3 SER 106 - QD1 LEU 62 far 3 65 5 - 4.8-13.7 HB3 SER 99 - QD1 LEU 62 lone 2 100 20 12 5.5-8.3 3405/11722=4...(5) HA SER 50 - QD1 LEU 62 far 0 98 0 - 6.4-9.7 HB2 SER 124 - QD1 LEU 62 far 0 97 0 - 7.0-12.4 HB3 SER 124 - QD1 LEU 62 far 0 73 0 - 7.1-11.5 HB3 SER 51 - QD1 LEU 62 far 0 73 0 - 8.2-12.7 HA GLN 68 - QD1 LEU 62 far 0 96 0 - 9.0-11.9 Violated in 3 structures by 0.01 A. Peak 11002 from cnoeabs.peaks (4.19, 0.91, 26.02 ppm; 5.36 A): 1 out of 7 assignments used, quality = 0.78: HA LEU 53 + QD1 LEU 62 OK 78 98 80 100 2.8-7.6 10038/2.1=99...(10) HA HIS 67 - QD1 LEU 62 poor 14 57 35 68 5.9-9.5 ~10990=35, ~9461=28...(7) HA SER 99 - QD1 LEU 62 far 0 57 0 - 7.1-10.3 HB THR 25 - QD1 LEU 62 far 0 93 0 - 7.8-19.6 HA SER 51 - QD1 LEU 62 far 0 60 0 - 7.9-12.2 HA VAL 105 - QD1 LEU 62 far 0 100 0 - 7.9-13.0 HB THR 18 - QD1 LEU 62 far 0 99 0 - 9.0-34.3 Violated in 10 structures by 0.66 A. Peak 11003 from cnoeabs.peaks (7.42, 1.14, 42.10 ppm; 4.78 A): 2 out of 3 assignments used, quality = 1.00: H LEU 62 + HB3 LEU 62 OK 97 97 100 100 2.0-3.2 3.9=100 H GLN 61 + HB3 LEU 62 OK 94 100 100 94 4.2-5.6 10983/3.0=41...(10) HE22 GLN 104 - HB3 LEU 62 far 5 100 5 - 5.8-10.3 Violated in 0 structures by 0.00 A. Peak 11004 from cnoeabs.peaks (8.19, 1.14, 42.10 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.93: H VAL 63 + HB3 LEU 62 OK 93 93 100 100 2.1-3.0 4.5=100 H LEU 122 - HB3 LEU 62 far 0 100 0 - 7.5-12.3 Violated in 0 structures by 0.00 A. Peak 11005 from cnoeabs.peaks (8.00, 0.68, 23.19 ppm; 4.42 A): 1 out of 8 assignments used, quality = 0.20: H ALA 52 + QD2 LEU 62 OK 20 68 30 99 4.1-7.4 2.9/9232=83, 2.9/9230=57...(15) H VAL 57 - QD2 LEU 62 far 10 100 10 - 5.6-7.4 H SER 51 - QD2 LEU 62 far 4 85 5 - 5.4-8.6 H ALA 52 - QD2 LEU 100 far 0 38 0 - 7.4-14.4 H SER 94 - QD2 LEU 100 far 0 61 0 - 7.8-11.7 H SER 51 - QD2 LEU 100 far 0 50 0 - 8.6-14.9 H VAL 57 - QD2 LEU 100 far 0 66 0 - 8.7-14.5 H ILE 129 - QD2 LEU 62 far 0 100 0 - 9.6-12.0 Violated in 19 structures by 1.86 A. Peak 11006 from cnoeabs.peaks (7.88, 0.68, 23.19 ppm; 4.82 A): 3 out of 12 assignments used, quality = 0.80: H GLN 104 + QD2 LEU 100 OK 47 51 100 92 1.8-5.0 7481/3225=46...(16) H GLN 68 + QD2 LEU 100 OK 42 57 90 83 5.1-6.5 3.6/11014=52...(9) H GLU 102 + QD2 LEU 100 OK 36 36 100 99 4.0-5.8 ~7415=44, ~3272=37...(22) H GLN 104 - QD2 LEU 62 far 9 87 10 - 6.0-9.4 H SER 106 - QD2 LEU 100 poor 8 48 45 35 4.1-8.0 11469/10974=13...(10) H GLN 68 - QD2 LEU 62 far 0 93 0 - 6.4-7.6 H SER 106 - QD2 LEU 62 far 0 83 0 - 7.5-11.8 H GLU 102 - QD2 LEU 62 far 0 65 0 - 7.5-11.2 H THR 115 - QD2 LEU 62 far 0 68 0 - 8.0-10.2 H GLU 128 - QD2 LEU 62 far 0 99 0 - 8.4-11.2 H THR 115 - QD2 LEU 100 far 0 38 0 - 8.7-13.3 H GLU 128 - QD2 LEU 100 far 0 64 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 11007 from cnoeabs.peaks (7.15, 0.68, 23.19 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.58: HD2 HIS 67 + QD2 LEU 100 OK 58 65 90 99 2.5-6.6 10044/2.1=87...(9) HD2 HIS 67 - QD2 LEU 62 far 0 100 0 - 6.7-9.4 QD TYR 72 - QD2 LEU 100 far 0 66 0 - 8.5-10.0 QD TYR 72 - QD2 LEU 62 far 0 100 0 - 9.1-10.6 Violated in 11 structures by 0.51 A. Peak 11008 from cnoeabs.peaks (8.28, 0.68, 23.19 ppm; 4.66 A): 3 out of 19 assignments used, quality = 0.85: H LEU 123 + QD2 LEU 62 OK 63 71 90 99 2.3-6.5 10956/2.1=58...(26) H SER 99 + QD2 LEU 100 OK 41 64 65 100 4.1-6.4 3.4/7400=69, ~7401=43...(22) H LEU 49 + QD2 LEU 62 OK 28 87 35 93 3.9-7.7 9247/9232=62...(12) H LEU 123 - QD2 LEU 100 poor 15 40 55 67 5.0-8.0 4.8/10348=15...(15) H LEU 69 - QD2 LEU 100 far 6 57 10 - 6.0-7.3 H VAL 126 - QD2 LEU 62 far 5 99 5 - 5.8-8.8 H LEU 96 - QD2 LEU 100 far 3 62 5 - 5.5-8.8 H LEU 69 - QD2 LEU 62 far 0 93 0 - 6.3-7.5 H VAL 126 - QD2 LEU 100 far 0 65 0 - 6.6-8.5 H LEU 49 - QD2 LEU 100 far 0 51 0 - 7.0-13.1 H ALA 110 - QD2 LEU 100 far 0 54 0 - 7.4-12.4 H GLU 30 - QD2 LEU 100 far 0 45 0 - 7.6-14.8 H SER 99 - QD2 LEU 62 far 0 99 0 - 7.9-10.5 H ALA 110 - QD2 LEU 62 far 0 90 0 - 8.0-13.7 H GLY 111 - QD2 LEU 100 far 0 51 0 - 8.3-13.8 H GLY 111 - QD2 LEU 62 far 0 87 0 - 8.5-13.3 H LEU 96 - QD2 LEU 62 far 0 97 0 - 9.0-11.0 H GLU 30 - QD2 LEU 62 far 0 78 0 - 9.0-14.7 H ALA 21 - QD2 LEU 62 far 0 76 0 - 9.7-27.4 Violated in 8 structures by 0.12 A. Peak 11009 from cnoeabs.peaks (0.59, 3.37, 66.55 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 100 + HA VAL 63 OK 97 97 100 100 2.5-4.2 10034=56, 10973/3.2=55...(31) Violated in 0 structures by 0.00 A. Peak 11010 from cnoeabs.peaks (2.22, 0.91, 22.96 ppm; 4.30 A): 2 out of 13 assignments used, quality = 1.00: HB3 GLN 104 + QG2 VAL 63 OK 100 100 100 100 1.9-4.9 11437=80, 3.0/11521=74...(29) HB3 GLN 127 + QD1 LEU 49 OK 55 58 100 95 1.8-5.4 3.0/10437=35...(17) HG2 GLN 68 - QD1 LEU 49 far 3 56 5 - 5.3-11.2 HB3 LEU 96 - QD1 LEU 49 far 3 52 5 - 5.6-8.4 HB3 GLU 128 - QD1 LEU 49 far 0 58 0 - 6.4-9.4 HB3 GLU 102 - QG2 VAL 63 far 0 100 0 - 6.7-9.1 HB2 GLN 68 - QD1 LEU 49 far 0 57 0 - 7.1-10.6 HB2 GLN 101 - QG2 VAL 63 far 0 87 0 - 7.4-9.3 HB2 GLN 68 - QG2 VAL 63 far 0 100 0 - 7.9-8.8 HG2 GLN 68 - QG2 VAL 63 far 0 99 0 - 8.0-9.6 HB3 LEU 96 - QG2 VAL 63 far 0 96 0 - 8.0-11.6 HB3 GLU 97 - QG2 VAL 63 far 0 99 0 - 8.4-10.4 HB3 GLN 104 - QD1 LEU 49 far 0 58 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 11011 from cnoeabs.peaks (2.20, 0.78, 21.57 ppm; 4.36 A): 2 out of 7 assignments used, quality = 0.99: HB2 GLN 104 + QG1 VAL 63 OK 97 97 100 100 1.8-4.6 3.0/9400=72, 3.0/9401=69...(38) HB3 GLN 104 + QG1 VAL 63 OK 78 78 100 100 1.8-4.4 3.0/9400=72, 3.0/9401=69...(35) HB2 GLN 101 - QG1 VAL 63 far 0 99 0 - 6.1-8.8 HB2 GLN 68 - QG1 VAL 63 far 0 85 0 - 6.1-6.9 HB3 GLN 68 - QG1 VAL 63 far 0 78 0 - 7.4-8.1 HB3 GLU 97 - QG1 VAL 63 far 0 90 0 - 7.5-10.4 HB3 GLU 102 - QG1 VAL 63 far 0 60 0 - 7.5-9.6 Violated in 0 structures by 0.00 A. Peak 11012 from cnoeabs.peaks (1.14, 0.91, 22.96 ppm; 3.95 A): 1 out of 8 assignments used, quality = 0.98: HB3 LEU 62 + QG2 VAL 63 OK 98 100 100 98 2.7-4.2 1987=36, 4.5/2033=30...(26) QG2 THR 115 - QG2 VAL 63 far 15 99 15 - 5.0-10.1 HB3 LEU 62 - QD1 LEU 49 far 0 58 0 - 6.7-8.5 QG2 VAL 132 - QD1 LEU 49 far 0 58 0 - 7.4-10.2 HG12 ILE 32 - QG2 VAL 63 far 0 81 0 - 8.2-14.8 QB ALA 41 - QD1 LEU 49 far 0 28 0 - 8.3-10.2 QG1 VAL 132 - QD1 LEU 49 far 0 53 0 - 8.5-10.5 HG12 ILE 32 - QD1 LEU 49 far 0 40 0 - 8.6-14.9 Violated in 3 structures by 0.02 A. Peak 11013 from cnoeabs.peaks (2.79, 2.02, 31.71 ppm; 5.70 A): 4 out of 4 assignments used, quality = 0.97: HB3 ASP 64 + HB VAL 63 OK 90 90 100 100 4.1-6.0 10969/2.1=85...(18) HB2 ASN 121 + HB3 PRO 117 OK 35 37 95 99 3.2-7.4 3.8/10316=64...(23) HB3 ASN 120 + HB3 PRO 117 OK 34 36 95 100 4.8-7.7 ~10301=85, ~11734=60...(16) HB2 ASN 120 + HB3 PRO 117 OK 32 36 90 100 4.3-7.5 10301/1.8=87, ~11734=60...(16) Violated in 0 structures by 0.00 A. Peak 11014 from cnoeabs.peaks (1.36, 0.78, 21.57 ppm; 4.53 A): 2 out of 14 assignments used, quality = 0.66: HB3 LEU 100 + QG1 VAL 63 OK 43 87 50 100 4.0-6.7 3.2/10973=73...(26) QB ALA 108 + QG1 VAL 63 OK 40 76 60 87 1.8-9.9 ~11484=36, 2.9/11486=33...(16) QB ALA 109 - QG1 VAL 63 poor 20 65 50 60 1.7-11.8 ~10118=21, 10971/2.1=15...(12) QB ALA 110 - QG1 VAL 63 poor 16 81 20 - 5.3-12.9 QB ALA 28 - QG1 VAL 63 poor 16 78 20 - 2.2-13.1 HG2 LYS 24 - QG1 VAL 63 far 4 87 5 - 5.0-23.4 HG3 LYS 26 - QG1 VAL 63 far 4 83 5 - 4.9-16.8 QB ALA 29 - QG1 VAL 63 lone 1 85 25 3 3.1-10.3 HG3 LYS 31 - QG1 VAL 63 far 0 60 0 - 7.4-16.2 QB ALA 21 - QG1 VAL 63 far 0 83 0 - 7.9-24.0 QB ALA 12 - QG1 VAL 63 far 0 100 0 - 8.1-28.8 HB2 LEU 96 - QG1 VAL 63 far 0 85 0 - 8.8-11.4 QB ALA 15 - QG1 VAL 63 far 0 81 0 - 9.2-27.8 QB ALA 46 - QG1 VAL 63 far 0 83 0 - 9.3-11.0 Violated in 11 structures by 0.56 A. Peak 11015 from cnoeabs.peaks (1.55, 0.78, 21.57 ppm; 5.03 A): 2 out of 8 assignments used, quality = 1.00: HG LEU 103 + QG1 VAL 63 OK 100 100 100 100 2.9-4.8 ~11832=53, ~11835=50...(33) HB2 LEU 103 + QG1 VAL 63 OK 61 76 80 100 5.0-6.7 1.8/10963=46, ~11832=41...(38) HG LEU 123 - QG1 VAL 63 far 0 95 0 - 7.6-12.6 HB2 LEU 119 - QG1 VAL 63 far 0 98 0 - 7.7-11.4 HG13 ILE 37 - QG1 VAL 63 far 0 99 0 - 8.1-17.1 HG2 ARG 23 - QG1 VAL 63 far 0 81 0 - 8.2-24.2 HG LEU 49 - QG1 VAL 63 far 0 87 0 - 8.9-11.5 HB2 LEU 22 - QG1 VAL 63 far 0 97 0 - 9.4-24.7 Violated in 0 structures by 0.00 A. Peak 11016 from cnoeabs.peaks (1.80, 0.78, 21.57 ppm; 4.76 A): 3 out of 11 assignments used, quality = 1.00: HB3 LEU 103 + QG1 VAL 63 OK 96 96 100 100 3.7-5.7 3.0/10965=66...(44) HB2 LEU 100 + QG1 VAL 63 OK 71 89 80 100 4.7-6.8 3.2/10973=78...(28) HG LEU 100 + QG1 VAL 63 OK 63 63 100 100 3.0-5.4 2.1/10973=92...(25) HB3 LYS 26 - QG1 VAL 63 far 14 93 15 - 5.5-17.3 HB3 LYS 24 - QG1 VAL 63 far 5 98 5 - 5.0-21.7 HB3 LEU 122 - QG1 VAL 63 far 5 97 5 - 6.1-9.4 HB3 ARG 23 - QG1 VAL 63 far 4 87 5 - 6.0-22.7 HB ILE 32 - QG1 VAL 63 far 0 95 0 - 6.3-13.0 HB3 LEU 123 - QG1 VAL 63 far 0 56 0 - 8.7-12.8 HB3 LYS 31 - QG1 VAL 63 far 0 99 0 - 8.9-17.3 HB2 LEU 48 - QG1 VAL 63 far 0 73 0 - 9.2-14.0 Violated in 2 structures by 0.00 A. Peak 11017 from cnoeabs.peaks (0.63, 0.78, 21.57 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.70: QD1 LEU 100 + QG1 VAL 63 OK 70 71 100 99 1.8-3.8 2.1/10974=64...(30) QD1 ILE 129 - QG1 VAL 63 far 0 93 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 11018 from cnoeabs.peaks (3.63, 3.37, 66.55 ppm; 5.65 A): 2 out of 3 assignments used, quality = 1.00: HA3 GLY 66 + HA VAL 63 OK 100 100 100 100 3.3-4.8 2.9/2019=79...(17) HA2 GLY 66 + HA VAL 63 OK 99 99 100 100 3.2-5.9 2.9/2019=79, 3.6/6860=50...(21) HD2 PRO 58 - HA VAL 63 far 0 90 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 11019 from cnoeabs.peaks (3.99, 0.78, 21.57 ppm; 4.61 A): 2 out of 7 assignments used, quality = 0.93: HA SER 60 + QG1 VAL 63 OK 91 92 100 99 3.5-5.0 2020/2.1=81...(16) HB3 SER 106 + QG1 VAL 63 OK 23 90 30 85 4.6-10.4 11854/2.1=38, 10096=26...(10) HA LEU 103 - QG1 VAL 63 poor 20 78 25 - 5.7-7.0 HB2 SER 106 - QG1 VAL 63 far 9 63 15 - 4.1-10.3 HA THR 65 - QG1 VAL 63 far 4 73 5 - 6.1-6.7 HA GLN 68 - QG1 VAL 63 far 0 100 0 - 6.6-7.5 HB3 SER 99 - QG1 VAL 63 far 0 97 0 - 7.3-9.4 Violated in 5 structures by 0.05 A. Peak 11020 from cnoeabs.peaks (4.06, 0.78, 21.57 ppm; 5.28 A): 2 out of 5 assignments used, quality = 0.84: HA GLN 104 + QG1 VAL 63 OK 71 71 100 100 1.8-5.6 3.9/9400=80, 3.9/9401=77...(18) HB THR 65 + QG1 VAL 63 OK 47 100 60 78 6.1-7.3 6842/9416=33...(10) HA GLU 102 - QG1 VAL 63 poor 16 95 25 66 6.1-8.7 7484/7490=38...(6) HA LEU 122 - QG1 VAL 63 far 0 93 0 - 8.0-10.9 HA LEU 96 - QG1 VAL 63 far 0 78 0 - 8.7-10.8 Violated in 2 structures by 0.01 A. Peak 11021 from cnoeabs.peaks (7.16, 4.46, 57.70 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.24: HD2 HIS 67 + HA ASP 64 OK 24 98 25 99 3.1-7.5 4.0/2046=68, 4.0/2102=65...(6) HE ARG 23 - HA ASP 64 far 0 73 0 - 8.3-25.2 QD TYR 72 - HA ASP 64 far 0 95 0 - 9.4-10.7 Violated in 18 structures by 1.72 A. Peak 11023 from cnoeabs.peaks (2.30, 3.97, 66.53 ppm; 4.95 A): 1 out of 3 assignments used, quality = 0.78: HG3 GLN 68 + HA THR 65 OK 78 78 100 100 2.1-5.5 3.0/2140=68...(16) HG2 GLN 61 - HA THR 65 far 8 83 10 - 6.3-9.4 HG2 GLU 30 - HA THR 65 far 5 93 5 - 5.0-17.1 Violated in 3 structures by 0.06 A. Peak 11024 from cnoeabs.peaks (2.29, 1.23, 22.77 ppm; 4.39 A): 1 out of 5 assignments used, quality = 0.20: HG2 GLN 61 + QG2 THR 65 OK 20 100 55 37 3.2-7.3 10989/9318=21...(4) HG2 GLU 30 - QG2 THR 65 far 5 100 5 - 5.0-15.5 HB3 PRO 113 - QG2 THR 65 far 0 96 0 - 9.3-15.0 HG2 GLU 97 - QG2 THR 65 far 0 92 0 - 9.3-12.4 HB3 GLN 101 - QG2 THR 65 far 0 93 0 - 9.9-13.9 Violated in 14 structures by 1.18 A. Peak 11025 from cnoeabs.peaks (1.56, 1.23, 22.77 ppm; 3.90 A): 1 out of 9 assignments used, quality = 0.97: HG LEU 49 + QG2 THR 65 OK 97 97 100 99 2.6-4.3 2.1/10966=63...(27) HG LEU 123 - QG2 THR 65 poor 20 100 25 80 4.1-8.5 2.1/11510=42...(14) HG13 ILE 37 - QG2 THR 65 far 5 100 5 - 4.9-15.0 HG2 ARG 23 - QG2 THR 65 far 0 95 0 - 6.5-20.5 HB3 LEU 42 - QG2 THR 65 far 0 87 0 - 6.6-11.4 HB2 LEU 119 - QG2 THR 65 far 0 89 0 - 6.8-11.5 HG LEU 103 - QG2 THR 65 far 0 99 0 - 7.2-10.9 HB2 LEU 103 - QG2 THR 65 far 0 92 0 - 8.3-12.0 HB2 LEU 22 - QG2 THR 65 far 0 87 0 - 9.3-20.8 Violated in 8 structures by 0.06 A. Peak 11026 from cnoeabs.peaks (1.77, 1.23, 22.77 ppm; 4.17 A): 1 out of 10 assignments used, quality = 0.61: HB2 LEU 48 + QG2 THR 65 OK 61 93 65 100 1.9-6.7 3.0/9441=62...(19) HG LEU 100 - QG2 THR 65 poor 11 97 25 44 5.1-9.0 2.1/9432=21...(6) HB3 LEU 122 - QG2 THR 65 far 10 65 15 - 5.2-10.5 HB2 LYS 19 - QG2 THR 65 far 0 89 0 - 6.0-24.7 HB2 LYS 24 - QG2 THR 65 far 0 83 0 - 6.6-19.9 HB2 LYS 26 - QG2 THR 65 far 0 89 0 - 7.3-17.5 HB2 LYS 31 - QG2 THR 65 far 0 73 0 - 7.6-16.9 HB3 LEU 103 - QG2 THR 65 far 0 68 0 - 7.8-11.2 HB2 ARG 23 - QG2 THR 65 far 0 96 0 - 8.9-19.0 HG13 ILE 129 - QG2 THR 65 far 0 76 0 - 9.8-13.0 Violated in 16 structures by 0.97 A. Peak 11027 from cnoeabs.peaks (3.86, 1.23, 22.77 ppm; 4.64 A): 2 out of 8 assignments used, quality = 0.91: HA LEU 62 + QG2 THR 65 OK 85 87 100 98 2.1-5.1 10997=64, 1970/2.1=60...(15) HA LEU 123 + QG2 THR 65 OK 39 90 55 78 3.5-8.4 3.9/11510=37...(11) HB3 SER 50 - QG2 THR 65 far 4 71 5 - 6.0-8.3 HB2 SER 50 - QG2 THR 65 far 3 68 5 - 6.1-8.5 HA LEU 70 - QG2 THR 65 far 0 87 0 - 7.0-8.8 HA2 GLY 114 - QG2 THR 65 far 0 85 0 - 8.8-14.9 HA2 GLY 2 - QG2 THR 65 far 0 57 0 - 9.8-53.1 HB3 SER 33 - QG2 THR 65 far 0 96 0 - 10.0-16.1 Violated in 2 structures by 0.02 A. Peak 11028 from cnoeabs.peaks (3.62, 1.23, 22.77 ppm; 5.59 A): 2 out of 3 assignments used, quality = 0.99: HA2 GLY 66 + QG2 THR 65 OK 94 95 100 100 2.7-5.0 4.9/2074=80, ~6853=66...(23) HA3 GLY 66 + QG2 THR 65 OK 87 87 100 100 3.0-5.6 4.9/2074=80, ~6853=66...(23) HD2 PRO 58 - QG2 THR 65 far 5 100 5 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 11029 from cnoeabs.peaks (7.89, 1.23, 22.77 ppm; 5.74 A): 1 out of 5 assignments used, quality = 0.78: H GLN 68 + QG2 THR 65 OK 78 78 100 100 4.9-5.4 5.1/11016=65...(15) H GLU 128 - QG2 THR 65 far 0 100 0 - 8.2-11.1 H GLN 104 - QG2 THR 65 far 0 97 0 - 8.7-11.8 H ALA 41 - QG2 THR 65 far 0 100 0 - 9.5-13.3 H SER 106 - QG2 THR 65 far 0 96 0 - 10.0-15.2 Violated in 0 structures by 0.00 A. Peak 11030 from cnoeabs.peaks (8.66, 1.23, 22.77 ppm; 5.52 A): 2 out of 3 assignments used, quality = 1.00: H SER 50 + QG2 THR 65 OK 100 100 100 100 4.2-5.8 3.2/11703=87, 9212=80...(23) H HIS 67 + QG2 THR 65 OK 100 100 100 100 4.1-5.3 6864/4.4=78, 6845/4.0=67...(16) H SER 60 - QG2 THR 65 far 0 99 0 - 7.4-9.9 Violated in 0 structures by 0.00 A. Peak 11031 from cnoeabs.peaks (0.59, 3.63, 47.55 ppm; 5.72 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 100 + HA3 GLY 66 OK 97 97 100 100 2.1-4.3 10045/2.9=78...(24) QD1 LEU 100 + HA2 GLY 66 OK 95 95 100 100 3.1-5.3 10045/2.9=78...(22) Violated in 0 structures by 0.00 A. Peak 11033 from cnoeabs.peaks (0.89, 3.63, 47.55 ppm; 5.14 A): 11 out of 23 assignments used, quality = 1.00: QG2 VAL 63 + HA3 GLY 66 OK 81 83 100 97 4.8-6.0 ~2019=38, 3.2/10975=33...(17) QD2 LEU 69 + HA2 GLY 66 OK 77 78 100 99 1.9-6.1 2.1/11058=58, 11053=40...(27) QD1 LEU 62 + HA3 GLY 66 OK 74 76 100 97 3.2-6.2 ~9384=39, 3.2/10999=37...(21) QD1 LEU 49 + HA3 GLY 66 OK 71 78 95 96 4.4-6.9 2.1/9208=47, ~9208=40...(14) QD1 LEU 49 + HA2 GLY 66 OK 69 75 95 96 3.5-6.8 2.1/9208=50, ~9208=38...(15) QD2 LEU 123 + HA3 GLY 66 OK 69 99 95 73 3.0-6.8 11422/9208=16...(18) QD2 LEU 123 + HA2 GLY 66 OK 67 98 95 73 3.2-6.7 11422/9208=17...(18) QD1 LEU 62 + HA2 GLY 66 OK 56 73 80 97 3.8-7.1 ~9384=39, ~9435=32...(20) QD2 LEU 69 + HA3 GLY 66 OK 56 81 70 99 3.4-7.3 ~11058=44, 11053/1.8=38...(27) QG2 VAL 63 + HA2 GLY 66 OK 46 80 60 97 4.5-7.1 ~2019=38, 3.2/10975=34...(18) QG1 VAL 118 + HA3 GLY 66 OK 24 98 95 25 4.0-9.9 11822/11842=17...(5) QD2 LEU 48 - HA2 GLY 66 poor 19 84 45 51 5.6-9.1 9418/4.9=23...(8) QD2 LEU 48 - HA3 GLY 66 poor 17 87 20 - 6.2-10.4 QG1 VAL 118 - HA2 GLY 66 lone 8 96 65 13 4.7-10.7 11822/11842=5...(4) QG2 VAL 20 - HA2 GLY 66 far 0 99 0 - 7.0-24.2 QG1 VAL 20 - HA2 GLY 66 far 0 86 0 - 7.4-26.7 QG2 VAL 57 - HA3 GLY 66 far 0 63 0 - 7.4-9.8 QG2 VAL 20 - HA3 GLY 66 far 0 100 0 - 7.5-25.2 QG2 VAL 57 - HA2 GLY 66 far 0 60 0 - 7.9-10.1 QG1 VAL 20 - HA3 GLY 66 far 0 89 0 - 8.0-27.7 QD2 LEU 98 - HA3 GLY 66 far 0 93 0 - 8.6-11.3 QD2 LEU 98 - HA2 GLY 66 far 0 91 0 - 9.0-11.8 QD1 LEU 98 - HA3 GLY 66 far 0 63 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 11034 from cnoeabs.peaks (8.28, 4.22, 58.98 ppm; 4.87 A): 1 out of 8 assignments used, quality = 0.80: H LEU 69 + HA HIS 67 OK 80 81 100 100 4.4-5.1 6916=72, 3.6/6936=67...(13) H ALA 29 - HA HIS 67 far 0 60 0 - 6.5-15.3 H LEU 123 - HA HIS 67 far 0 87 0 - 7.6-11.4 H VAL 126 - HA HIS 67 far 0 95 0 - 8.0-10.7 H GLU 30 - HA HIS 67 far 0 92 0 - 8.0-15.0 H SER 99 - HA HIS 67 far 0 93 0 - 8.4-10.2 H LEU 96 - HA HIS 67 far 0 100 0 - 9.1-10.4 H LEU 49 - HA HIS 67 far 0 71 0 - 9.5-13.7 Violated in 3 structures by 0.03 A. Peak 11035 from cnoeabs.peaks (8.88, 4.22, 58.98 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.84: H GLY 66 + HA HIS 67 OK 84 85 100 99 5.2-5.4 6864/2.9=81, 6877/3.6=60...(10) Violated in 0 structures by 0.00 A. Peak 11036 from cnoeabs.peaks (2.22, 4.22, 58.98 ppm; 4.68 A): 2 out of 8 assignments used, quality = 0.98: HB2 GLN 68 + HA HIS 67 OK 95 100 100 95 5.5-5.9 4.4/6916=56, 6887/3.6=38...(15) HG2 GLN 68 + HA HIS 67 OK 65 96 70 97 5.3-6.6 2150/3.6=65, 2151/4.9=51...(12) HB2 GLN 101 - HA HIS 67 poor 19 95 20 - 5.4-8.3 HB3 GLN 104 - HA HIS 67 poor 15 100 30 51 4.6-10.3 10025/11014=33...(7) HB2 GLN 104 - HA HIS 67 poor 5 57 35 26 3.9-9.4 10030/10037=11, ~9452=4...(6) HB3 LEU 96 - HA HIS 67 far 4 89 5 - 5.9-9.4 HB3 GLU 97 - HA HIS 67 far 0 100 0 - 6.4-8.8 HB3 GLU 102 - HA HIS 67 far 0 97 0 - 9.7-12.2 Violated in 20 structures by 0.48 A. Peak 11039 from cnoeabs.peaks (8.44, 3.99, 58.83 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.94: H VAL 93 + HA GLU 91 OK 78 79 100 100 4.0-4.7 7258/3.6=83, 7263/2.9=72...(10) H LEU 70 + HA GLN 68 OK 73 73 100 100 4.0-5.0 3.4/6956=73, 6938=62...(15) H ALA 34 - HA GLN 68 far 15 97 15 - 4.0-12.2 Violated in 0 structures by 0.00 A. Peak 11040 from cnoeabs.peaks (1.38, 3.99, 58.83 ppm; 6.80 A): 3 out of 17 assignments used, quality = 0.88: HG2 LYS 95 + HA GLU 91 OK 62 79 100 79 4.2-7.2 4.6/7290=40, 9914/3.9=29...(7) HG3 LYS 95 + HA GLU 91 OK 57 80 100 71 5.4-7.9 4.6/7290=40, ~11309=26...(7) QB ALA 29 + HA GLN 68 OK 26 100 90 29 3.4-10.2 10790/4307=6, 202/2127=6...(8) HG3 LYS 31 - HA GLN 68 poor 19 97 20 - 5.7-14.1 HG2 LYS 36 - HA GLN 68 lone 12 100 60 19 4.8-11.8 11124/11118=9...(3) HG3 LYS 26 - HA GLN 68 far 10 100 10 - 7.3-20.0 HG LEU 96 - HA GLU 91 poor 6 66 40 24 7.2-10.4 3084/4.9=12...(3) HG2 LYS 24 - HA GLN 68 far 5 100 5 - 7.6-21.5 QB ALA 28 - HA GLN 68 far 5 100 5 - 7.8-14.6 HB2 LEU 96 - HA GLU 91 far 4 81 5 - 8.1-10.2 QB ALA 28 - HA GLU 91 far 4 81 5 - 8.2-24.8 QB ALA 108 - HA GLN 68 lone 1 100 30 3 5.9-16.9 QB ALA 109 - HA GLN 68 far 0 99 0 - 8.5-19.6 HG LEU 96 - HA GLN 68 far 0 89 0 - 8.7-11.9 HB2 LEU 42 - HA GLN 68 far 0 100 0 - 8.8-11.9 QB ALA 15 - HA GLN 68 far 0 100 0 - 9.4-28.6 HB3 LEU 100 - HA GLN 68 far 0 100 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 11041 from cnoeabs.peaks (1.22, 2.32, 33.86 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.97: QG2 THR 65 + HG3 GLN 68 OK 97 97 100 100 4.3-6.6 9479/1.8=84...(26) Violated in 15 structures by 0.68 A. Peak 11048 from cnoeabs.peaks (0.88, 2.18, 28.25 ppm; 4.90 A): 2 out of 6 assignments used, quality = 0.81: QG2 ILE 32 + HB3 GLN 68 OK 60 78 85 90 2.0-7.9 ~11015=32, ~11018=32...(15) QD2 LEU 69 + HB3 GLN 68 OK 54 99 55 99 4.2-7.2 6930/4.4=34, ~11022=25...(28) QD2 LEU 70 - HB3 GLN 68 far 4 83 5 - 5.9-8.3 QG2 VAL 20 - HB3 GLN 68 far 0 92 0 - 6.7-19.6 QD2 LEU 123 - HB3 GLN 68 far 0 99 0 - 8.3-12.0 QD1 LEU 22 - HB3 GLN 68 far 0 87 0 - 9.4-23.6 Violated in 4 structures by 0.11 A. Peak 11049 from cnoeabs.peaks (1.67, 2.23, 33.86 ppm; 5.98 A): 2 out of 12 assignments used, quality = 0.92: HB2 LEU 69 + HG2 GLN 68 OK 90 100 90 100 3.0-7.8 11022/1.8=67...(34) HD2 LYS 36 + HG2 GLN 68 OK 20 100 45 45 3.7-10.2 11022/1.8=17...(7) HD3 LYS 36 - HG2 GLN 68 poor 19 100 40 46 3.9-10.8 ~11022=15, 11125/9481=14...(8) HD2 LYS 31 - HG2 GLN 68 far 14 96 15 - 3.5-17.6 HD3 LYS 31 - HG2 GLN 68 far 14 95 15 - 5.2-16.5 HD3 LYS 24 - HG2 GLN 68 far 5 95 5 - 7.4-21.4 HD3 LYS 26 - HG2 GLN 68 far 0 92 0 - 8.0-22.4 HD2 LYS 24 - HG2 GLN 68 far 0 96 0 - 8.3-22.6 HD2 LYS 26 - HG2 GLN 68 far 0 95 0 - 8.6-23.3 HD3 LYS 19 - HG2 GLN 68 far 0 73 0 - 8.8-29.2 HB2 LEU 123 - HG2 GLN 68 far 0 76 0 - 9.8-17.5 HD2 LYS 19 - HG2 GLN 68 far 0 73 0 - 9.9-30.9 Violated in 7 structures by 0.28 A. Peak 11050 from cnoeabs.peaks (2.81, 2.23, 33.86 ppm; 5.87 A): 2 out of 2 assignments used, quality = 0.96: HB3 ASP 71 + HG2 GLN 68 OK 95 100 95 100 4.7-8.4 2129/2151=92...(14) HB3 ASP 64 + HG2 GLN 68 OK 22 98 50 45 4.8-8.8 10448/3.0=17...(6) Violated in 8 structures by 0.17 A. Peak 11054 from cnoeabs.peaks (7.14, 4.33, 58.25 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.99: QD TYR 72 + HA LEU 69 OK 99 99 100 100 1.7-2.8 6983/6973=77...(33) HD2 HIS 67 - HA LEU 69 far 0 96 0 - 7.0-10.6 Violated in 0 structures by 0.00 A. Peak 11055 from cnoeabs.peaks (6.79, 4.33, 58.25 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.83: QE TYR 72 + HA LEU 69 OK 83 83 100 100 2.2-3.5 2.2/11028=100...(28) Violated in 0 structures by 0.00 A. Peak 11057 from cnoeabs.peaks (0.80, 4.33, 58.25 ppm; 5.47 A): 5 out of 10 assignments used, quality = 1.00: QD2 LEU 49 + HA LEU 69 OK 99 100 100 99 3.9-5.8 1574/3.7=41...(28) QD1 LEU 70 + HA LEU 69 OK 79 89 90 99 4.8-7.1 2261/4.9=58, 6950/3.6=45...(23) QD1 ILE 37 + HA LEU 69 OK 56 76 90 83 3.0-7.6 9024/11054=38...(11) QD1 ILE 32 + HA LEU 69 OK 49 71 80 87 4.5-9.3 10827=46, 11056/2.9=26...(16) QG2 ILE 129 + HA LEU 69 OK 46 83 60 93 5.9-8.1 10486/9100=64, ~11712=31...(12) QD1 LEU 122 - HA LEU 69 far 15 100 15 - 6.4-10.8 QD2 LEU 122 - HA LEU 69 poor 10 92 25 43 6.6-9.9 11034/3.0=7, ~11034=7...(13) QD1 LEU 53 - HA LEU 69 far 5 99 5 - 6.8-12.4 QG1 VAL 63 - HA LEU 69 far 0 85 0 - 8.9-9.8 QG2 ILE 80 - HA LEU 69 far 0 96 0 - 9.1-13.9 Violated in 0 structures by 0.00 A. Peak 11059 from cnoeabs.peaks (0.78, 2.16, 40.48 ppm; 5.73 A): 5 out of 11 assignments used, quality = 1.00: QD2 LEU 49 + HB3 LEU 69 OK 95 95 100 100 1.9-4.1 11061/3.0=69...(40) QD1 LEU 96 + HB3 LEU 69 OK 91 96 95 100 4.4-7.3 ~11805=92, ~11694=59...(19) QD1 ILE 32 + HB3 LEU 69 OK 63 99 65 98 4.3-10.3 10827/3.0=86...(18) QD2 LEU 122 + HB3 LEU 69 OK 34 100 75 45 4.7-8.6 9431/9443=11, ~11034=10...(15) QD1 ILE 37 + HB3 LEU 69 OK 29 100 45 66 4.4-9.5 9025/9550=25, ~10919=17...(10) QD1 LEU 122 - HB3 LEU 69 poor 18 76 55 43 4.7-9.9 11034/1.8=9, ~11034=7...(18) QD1 LEU 53 - HB3 LEU 69 poor 8 97 30 29 4.9-10.7 9431/9443=10, ~11048=9...(6) QD2 LEU 43 - HB3 LEU 69 far 3 60 5 - 7.0-9.6 QG1 VAL 63 - HB3 LEU 69 far 0 100 0 - 7.7-9.7 QD2 LEU 119 - HB3 LEU 69 far 0 89 0 - 8.6-16.9 QG2 ILE 80 - HB3 LEU 69 far 0 57 0 - 9.6-14.9 Violated in 0 structures by 0.00 A. Peak 11060 from cnoeabs.peaks (1.34, 0.87, 28.07 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 46 + QD2 LEU 69 OK 100 100 100 100 1.8-4.2 11046/2.1=83...(30) QB ALA 21 - QD2 LEU 69 far 0 100 0 - 7.4-20.8 Violated in 1 structures by 0.01 A. Peak 11061 from cnoeabs.peaks (0.78, 0.87, 28.07 ppm; 3.11 A): 2 out of 11 assignments used, quality = 0.89: QD2 LEU 49 + QD2 LEU 69 OK 83 89 100 94 1.6-4.3 11036/2.1=26...(35) QD1 LEU 96 + QD2 LEU 69 OK 32 99 40 80 2.0-6.4 11067/2.1=23, ~11805=21...(17) QD1 ILE 37 - QD2 LEU 69 poor 20 100 20 - 3.4-9.0 QD1 LEU 122 - QD2 LEU 69 poor 20 65 30 - 3.3-8.6 QD1 LEU 53 - QD2 LEU 69 poor 19 93 20 - 3.5-9.6 QD2 LEU 43 - QD2 LEU 69 far 7 71 10 - 4.5-7.6 QD2 LEU 122 - QD2 LEU 69 poor 5 99 25 21 3.0-7.6 10401/11052=4...(7) QD1 ILE 32 - QD2 LEU 69 far 5 100 5 - 3.3-8.9 QD2 LEU 119 - QD2 LEU 69 far 0 81 0 - 6.6-12.7 QG1 VAL 63 - QD2 LEU 69 far 0 100 0 - 6.8-9.4 QD1 LEU 103 - QD2 LEU 69 far 0 100 0 - 8.6-12.9 Violated in 5 structures by 0.10 A. Peak 11062 from cnoeabs.peaks (0.64, 0.87, 28.07 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.95: QD1 ILE 129 + QD2 LEU 69 OK 80 100 80 100 3.1-6.4 11038/2.1=76...(20) QD1 LEU 42 + QD2 LEU 69 OK 73 97 75 100 1.8-6.8 2.1/11042=63, ~11039=52...(38) Violated in 8 structures by 0.30 A. Peak 11063 from cnoeabs.peaks (1.33, 1.01, 23.30 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.98: QB ALA 46 + QD1 LEU 69 OK 98 98 100 100 1.7-4.6 11060/2.1=54...(29) QB ALA 21 - QD1 LEU 69 far 0 98 0 - 7.2-21.0 QB ALA 12 - QD1 LEU 69 far 0 65 0 - 9.8-25.7 Violated in 3 structures by 0.07 A. Peak 11064 from cnoeabs.peaks (0.77, 1.01, 23.30 ppm; 3.82 A): 6 out of 13 assignments used, quality = 0.99: QD2 LEU 49 + QD1 LEU 69 OK 73 73 100 99 1.7-4.1 11061/2.1=58...(38) QD1 LEU 96 + QD1 LEU 69 OK 72 100 75 97 1.8-5.9 11040/2.1=47...(24) QD2 LEU 96 + QD1 LEU 69 OK 49 73 70 95 2.2-7.7 11805/3.2=37...(23) QD2 LEU 43 + QD1 LEU 69 OK 34 87 45 86 4.2-8.2 9176/11063=55...(9) QD1 ILE 37 + QD1 LEU 69 OK 26 99 40 66 3.7-8.2 9024/11080=32...(7) QD1 ILE 32 + QD1 LEU 69 OK 23 100 30 76 3.8-10.0 10827/3.9=36...(14) QG1 VAL 93 - QD1 LEU 69 poor 19 76 25 - 4.3-7.3 QD2 LEU 122 - QD1 LEU 69 poor 12 93 45 29 3.7-8.6 10407/11069=6...(12) QD1 LEU 53 - QD1 LEU 69 far 12 81 15 - 4.5-9.1 HG12 ILE 129 - QD1 LEU 69 far 8 76 10 - 5.2-8.4 QG1 VAL 63 - QD1 LEU 69 far 0 97 0 - 6.6-9.5 QD2 LEU 119 - QD1 LEU 69 far 0 63 0 - 8.5-11.8 QD1 LEU 103 - QD1 LEU 69 far 0 98 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 11065 from cnoeabs.peaks (0.65, 1.01, 23.30 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.94: QD1 LEU 42 + QD1 LEU 69 OK 80 95 85 100 1.8-6.2 2.1/11039=73, 9084=49...(43) QD1 ILE 129 + QD1 LEU 69 OK 69 99 70 99 2.9-5.8 11713/2.1=54...(22) QD2 LEU 62 - QD1 LEU 69 far 0 60 0 - 5.5-8.6 Violated in 4 structures by 0.09 A. Peak 11066 from cnoeabs.peaks (0.55, 1.01, 23.30 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.82: QD2 LEU 42 + QD1 LEU 69 OK 82 97 85 100 1.8-7.3 9177/11063=45...(42) Violated in 11 structures by 0.62 A. Peak 11067 from cnoeabs.peaks (0.77, 1.51, 27.00 ppm; 3.92 A): 2 out of 11 assignments used, quality = 0.79: QD1 LEU 96 + HG LEU 69 OK 67 99 70 96 2.9-7.1 11040/2.1=52, ~11805=38...(18) QD2 LEU 96 + HG LEU 69 OK 39 89 45 96 3.8-8.6 11805/2.9=56...(19) QD2 LEU 122 - HG LEU 69 lone 5 81 40 15 4.5-8.9 ~11034=4, 11061/2.1=3...(6) QD1 LEU 53 - HG LEU 69 far 0 63 0 - 5.6-10.1 QD1 ILE 32 - HG LEU 69 far 0 97 0 - 5.6-10.3 QD1 ILE 37 - HG LEU 69 far 0 95 0 - 5.7-10.2 QG1 VAL 93 - HG LEU 69 far 0 90 0 - 5.9-8.6 QD2 LEU 43 - HG LEU 69 far 0 97 0 - 6.4-9.5 HG12 ILE 129 - HG LEU 69 far 0 90 0 - 6.5-9.6 QG1 VAL 63 - HG LEU 69 far 0 89 0 - 7.7-10.5 QD2 LEU 103 - HG LEU 69 far 0 71 0 - 8.6-12.9 Violated in 12 structures by 0.57 A. Peak 11069 from cnoeabs.peaks (2.08, 1.01, 23.30 ppm; 4.46 A): 1 out of 11 assignments used, quality = 0.62: HB VAL 126 + QD1 LEU 69 OK 62 78 95 83 1.8-6.0 ~11052=41...(9) HB2 GLN 127 - QD1 LEU 69 far 3 68 5 - 5.3-8.3 HB3 GLU 44 - QD1 LEU 69 far 0 100 0 - 6.0-11.4 HB3 LYS 39 - QD1 LEU 69 far 0 100 0 - 6.4-11.5 HB3 GLN 27 - QD1 LEU 69 far 0 78 0 - 6.5-17.3 HG3 GLN 134 - QD1 LEU 69 far 0 100 0 - 7.3-13.3 HB2 GLU 128 - QD1 LEU 69 far 0 100 0 - 7.4-11.0 HB2 LEU 62 - QD1 LEU 69 far 0 68 0 - 8.4-12.7 HB VAL 118 - QD1 LEU 69 far 0 68 0 - 9.2-13.6 HB2 GLU 102 - QD1 LEU 69 far 0 100 0 - 9.7-16.3 HG3 GLU 91 - QD1 LEU 69 far 0 68 0 - 9.8-13.1 Violated in 6 structures by 0.37 A. Peak 11070 from cnoeabs.peaks (1.99, 0.87, 28.07 ppm; 5.28 A): 1 out of 4 assignments used, quality = 0.85: HB ILE 129 + QD2 LEU 69 OK 85 95 90 100 3.7-7.0 9086/11042=64...(18) HB3 LEU 53 - QD2 LEU 69 poor 20 100 20 - 5.6-12.0 HB ILE 37 - QD2 LEU 69 poor 20 78 25 - 5.2-11.0 HB2 GLN 27 - QD2 LEU 69 far 0 71 0 - 8.8-15.6 Violated in 6 structures by 0.27 A. Peak 11071 from cnoeabs.peaks (2.94, 1.01, 23.30 ppm; 3.52 A): 2 out of 10 assignments used, quality = 0.94: HG CYS 73 + QD1 LEU 69 OK 86 100 95 91 1.9-5.1 9555/11084=28...(18) HB2 CYS 45 + QD1 LEU 69 OK 60 100 60 100 1.8-6.3 1.8/11061=55, 9160=54...(22) HE2 LYS 36 - QD1 LEU 69 far 9 90 10 - 3.9-11.3 HE3 LYS 36 - QD1 LEU 69 far 8 83 10 - 3.8-12.4 HE2 LYS 31 - QD1 LEU 69 far 0 76 0 - 7.7-15.2 HE3 LYS 26 - QD1 LEU 69 far 0 68 0 - 8.1-18.4 HE2 LYS 26 - QD1 LEU 69 far 0 68 0 - 8.1-19.0 HE2 LYS 39 - QD1 LEU 69 far 0 97 0 - 8.3-13.5 HE3 LYS 39 - QD1 LEU 69 far 0 93 0 - 8.5-14.3 HE3 LYS 31 - QD1 LEU 69 far 0 68 0 - 8.9-15.7 Violated in 0 structures by 0.00 A. Peak 11072 from cnoeabs.peaks (3.13, 1.01, 23.30 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: HB3 CYS 45 + QD1 LEU 69 OK 100 100 100 100 2.0-5.7 1.8/11062=98...(26) HB3 TYR 76 + QD1 LEU 69 OK 44 100 50 88 5.0-8.1 9096/11066=61...(9) HB3 HIS 3 - QD1 LEU 69 far 0 76 0 - 9.7-53.6 Violated in 4 structures by 0.07 A. Peak 11073 from cnoeabs.peaks (3.33, 1.01, 23.30 ppm; 5.10 A): 2 out of 5 assignments used, quality = 0.99: HB3 CYS 73 + QD1 LEU 69 OK 94 99 95 99 1.9-7.1 3.8/11084=60...(23) HB3 TYR 72 + QD1 LEU 69 OK 90 95 95 100 2.5-6.7 2.7/11064=86, 9514=68...(25) HB2 HIS 67 - QD1 LEU 69 far 5 92 5 - 6.0-8.8 HB2 PHE 89 - QD1 LEU 69 far 0 95 0 - 8.0-11.6 HB3 PHE 89 - QD1 LEU 69 far 0 99 0 - 8.0-11.2 Violated in 0 structures by 0.00 A. Peak 11074 from cnoeabs.peaks (3.47, 1.01, 23.30 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.95: HA LEU 42 + QD1 LEU 69 OK 93 97 95 100 1.9-6.6 9072=94, 3.9/11039=78...(21) HA ILE 129 + QD1 LEU 69 OK 37 100 40 93 5.8-8.9 4.2/11038=71, ~11070=43...(8) HA VAL 77 - QD1 LEU 69 far 0 87 0 - 8.0-10.9 Violated in 4 structures by 0.07 A. Peak 11075 from cnoeabs.peaks (3.89, 1.01, 23.30 ppm; 4.36 A): 2 out of 9 assignments used, quality = 1.00: HA ALA 46 + QD1 LEU 69 OK 99 99 100 100 1.8-5.4 2.1/11046=92...(25) HA LEU 70 + QD1 LEU 69 OK 99 99 100 100 2.0-5.7 2.9/6944=55...(29) HA ALA 41 - QD1 LEU 69 far 8 81 10 - 5.0-10.0 HB3 SER 50 - QD1 LEU 69 far 0 100 0 - 6.2-10.5 HA3 GLY 75 - QD1 LEU 69 far 0 92 0 - 8.6-10.4 HB2 SER 94 - QD1 LEU 69 far 0 93 0 - 9.1-13.9 HB2 SER 33 - QD1 LEU 69 far 0 76 0 - 9.3-13.5 HA LYS 86 - QD1 LEU 69 far 0 100 0 - 9.9-12.9 HA2 GLY 2 - QD1 LEU 69 far 0 100 0 - 9.9-55.4 Violated in 1 structures by 0.00 A. Peak 11076 from cnoeabs.peaks (3.89, 0.87, 28.07 ppm; 4.15 A): 2 out of 8 assignments used, quality = 1.00: HA ALA 46 + QD2 LEU 69 OK 100 100 100 100 1.7-4.0 9174=87, 2.1/11060=74...(28) HA LEU 70 + QD2 LEU 69 OK 82 97 85 100 3.3-5.8 10876/11042=43...(26) HB3 SER 50 - QD2 LEU 69 far 5 100 5 - 5.6-9.3 HA ALA 41 - QD2 LEU 69 far 0 87 0 - 5.7-10.2 HA3 GLY 75 - QD2 LEU 69 far 0 96 0 - 8.3-12.1 HB2 SER 33 - QD2 LEU 69 far 0 83 0 - 8.7-14.3 HA2 GLY 2 - QD2 LEU 69 far 0 100 0 - 9.2-54.8 HB2 SER 94 - QD2 LEU 69 far 0 97 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 11077 from cnoeabs.peaks (3.44, 0.87, 28.07 ppm; 5.53 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 126 + QD2 LEU 69 OK 100 100 100 100 3.2-6.5 9187/11060=67, ~11069=61...(19) HA ILE 129 + QD2 LEU 69 OK 25 73 35 96 6.1-9.4 3.0/11070=74...(9) HA VAL 77 - QD2 LEU 69 far 0 97 0 - 7.5-12.5 Violated in 5 structures by 0.09 A. Peak 11078 from cnoeabs.peaks (2.93, 0.87, 28.07 ppm; 4.87 A): 2 out of 5 assignments used, quality = 1.00: HG CYS 73 + QD2 LEU 69 OK 97 98 100 99 2.0-5.9 11071/2.1=49...(17) HB2 CYS 45 + QD2 LEU 69 OK 92 92 100 100 1.8-6.2 11062/2.1=82, ~11061=67...(27) HE2 LYS 39 - QD2 LEU 69 far 0 100 0 - 8.8-13.3 HE3 LYS 39 - QD2 LEU 69 far 0 100 0 - 9.3-13.9 HE2 LYS 24 - QD2 LEU 69 far 0 63 0 - 10.0-22.1 Violated in 0 structures by 0.00 A. Peak 11079 from cnoeabs.peaks (2.93, 1.51, 27.00 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.98: HG CYS 73 + HG LEU 69 OK 91 98 95 97 2.1-6.9 11071/2.1=49...(14) HB2 CYS 45 + HG LEU 69 OK 78 92 85 100 2.1-8.1 11062/2.1=83, ~11061=68...(24) Violated in 1 structures by 0.01 A. Peak 11080 from cnoeabs.peaks (7.14, 1.01, 23.30 ppm; 4.14 A): 1 out of 3 assignments used, quality = 0.97: QD TYR 72 + QD1 LEU 69 OK 97 97 100 100 1.8-5.3 2.2/11065=57...(34) HD2 HIS 67 - QD1 LEU 69 far 0 93 0 - 6.3-10.4 HE22 GLN 134 - QD1 LEU 69 far 0 99 0 - 8.4-13.2 Violated in 7 structures by 0.19 A. Peak 11081 from cnoeabs.peaks (6.81, 1.01, 23.30 ppm; 6.47 A): 1 out of 3 assignments used, quality = 1.00: QE TYR 72 + QD1 LEU 69 OK 100 100 100 100 1.8-6.2 2.2/11064=100...(27) HE21 GLN 127 - QD1 LEU 69 lone 3 98 50 5 3.8-11.0 11069/2.1=1, 10896/11056=1 HE21 GLN 101 - QD1 LEU 69 far 0 87 0 - 9.7-15.8 Violated in 0 structures by 0.00 A. Peak 11082 from cnoeabs.peaks (7.70, 1.01, 23.30 ppm; 5.26 A): 1 out of 4 assignments used, quality = 0.91: H CYS 45 + QD1 LEU 69 OK 91 96 95 100 3.7-8.1 3.2/11083=85...(24) H GLN 101 - QD1 LEU 69 far 4 81 5 - 6.0-11.7 H LYS 95 - QD1 LEU 69 far 0 99 0 - 7.4-12.2 H LEU 53 - QD1 LEU 69 far 0 92 0 - 8.1-11.2 Violated in 11 structures by 0.52 A. Peak 11083 from cnoeabs.peaks (8.53, 1.01, 23.30 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.95: H ALA 46 + QD1 LEU 69 OK 95 100 95 100 2.7-6.1 3.1/11046=71, 9165=62...(28) Violated in 7 structures by 0.22 A. Peak 11084 from cnoeabs.peaks (8.85, 1.01, 23.30 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: H CYS 73 + QD1 LEU 69 OK 100 100 100 100 3.0-5.4 9563=96, 3.5/9522=64...(33) Violated in 1 structures by 0.01 A. Peak 11085 from cnoeabs.peaks (8.55, 0.87, 28.07 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.95: H ALA 46 + QD2 LEU 69 OK 95 95 100 100 2.3-4.8 10950=84, 3.1/11060=80...(23) H ARG 90 - QD2 LEU 69 far 0 90 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 11086 from cnoeabs.peaks (7.13, 0.87, 28.07 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.73: QD TYR 72 + QD2 LEU 69 OK 73 73 100 100 1.8-5.5 9108/11042=89, ~11065=88...(33) HD2 HIS 67 - QD2 LEU 69 poor 14 63 60 37 7.0-10.6 11079/11076=16...(5) HE22 GLN 134 - QD2 LEU 69 far 0 99 0 - 9.0-14.0 Violated in 0 structures by 0.00 A. Peak 11087 from cnoeabs.peaks (4.34, 0.75, 22.33 ppm; 6.00 A): 2 out of 8 assignments used, quality = 0.97: HA GLN 134 + QD2 LEU 43 OK 95 95 100 100 2.1-5.1 3.0/11074=91...(26) HA ASP 47 + QD2 LEU 43 OK 45 100 60 75 4.5-7.9 10901/9176=52...(6) HA LEU 69 - QD2 LEU 43 far 15 98 15 - 7.4-8.6 HA TYR 76 - QD2 LEU 43 poor 13 63 20 - 7.1-11.5 HA PRO 81 - QD2 LEU 43 far 10 100 10 - 7.1-13.8 HA CYS 125 - QD2 LEU 43 far 0 92 0 - 9.4-11.1 HA2 GLY 75 - QD2 LEU 43 far 0 78 0 - 9.4-13.5 HA LYS 24 - QD2 LEU 43 far 0 100 0 - 9.6-25.5 Violated in 0 structures by 0.00 A. Peak 11088 from cnoeabs.peaks (1.36, 0.75, 22.33 ppm; 3.55 A): 2 out of 8 assignments used, quality = 0.97: QB ALA 46 + QD2 LEU 43 OK 92 92 100 100 2.9-4.5 9176=87, 9177/9129=43...(20) HB2 LEU 42 + QD2 LEU 43 OK 63 78 85 95 2.5-6.0 3.1/9129=56...(13) QB ALA 29 - QD2 LEU 43 far 0 73 0 - 7.5-15.5 HG2 LYS 36 - QD2 LEU 43 far 0 73 0 - 8.0-14.4 HG3 LYS 26 - QD2 LEU 43 far 0 71 0 - 8.4-24.5 QB ALA 28 - QD2 LEU 43 far 0 65 0 - 9.0-18.0 QB ALA 15 - QD2 LEU 43 far 0 68 0 - 9.5-27.6 HB2 LEU 96 - QD2 LEU 43 far 0 73 0 - 9.8-12.2 Violated in 6 structures by 0.09 A. Peak 11089 from cnoeabs.peaks (1.15, 0.75, 22.33 ppm; 3.94 A): 4 out of 7 assignments used, quality = 0.99: HG3 LYS 39 + QD2 LEU 43 OK 90 100 90 100 2.7-6.0 11901/2.1=79...(40) HG2 LYS 39 + QD2 LEU 43 OK 71 85 85 99 2.3-6.1 ~11901=53, 11806/2.1=31...(38) QG2 VAL 132 + QD2 LEU 43 OK 55 92 70 85 4.5-6.4 4.4/11075=35...(14) QB ALA 41 + QD2 LEU 43 OK 23 89 40 66 5.1-7.0 3.7/9116=20...(11) QG1 VAL 132 - QD2 LEU 43 far 0 76 0 - 5.6-7.4 QG2 VAL 77 - QD2 LEU 43 far 0 63 0 - 7.1-10.2 HG12 ILE 32 - QD2 LEU 43 far 0 98 0 - 9.5-17.7 Violated in 4 structures by 0.09 A. Peak 11090 from cnoeabs.peaks (1.04, 0.75, 22.33 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QD2 LEU 43 OK 100 100 100 100 1.6-3.8 11776=100, 2.1/11777=71...(40) QG1 VAL 77 - QD2 LEU 43 far 0 87 0 - 8.5-11.5 Violated in 3 structures by 0.04 A. Peak 11091 from cnoeabs.peaks (8.03, 0.75, 22.33 ppm; 4.93 A): 1 out of 6 assignments used, quality = 1.00: H SER 130 + QD2 LEU 43 OK 100 100 100 100 4.2-5.3 2.9/11747=84...(24) H LEU 48 - QD2 LEU 43 far 5 96 5 - 6.3-8.7 H TYR 76 - QD2 LEU 43 far 0 97 0 - 7.2-11.3 H CYS 79 - QD2 LEU 43 far 0 97 0 - 8.0-13.0 H ALA 52 - QD2 LEU 43 far 0 100 0 - 9.8-13.0 H CYS 125 - QD2 LEU 43 far 0 97 0 - 9.9-12.3 Violated in 12 structures by 0.12 A. Peak 11092 from cnoeabs.peaks (8.16, 0.75, 22.33 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.89: H VAL 133 + QD2 LEU 43 OK 89 89 100 100 3.6-5.0 4.0/11777=74...(20) Violated in 4 structures by 0.05 A. Peak 11093 from cnoeabs.peaks (8.51, 0.75, 22.33 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.76: H ALA 46 + QD2 LEU 43 OK 76 76 100 100 4.4-5.9 3.1/9176=95...(11) H HIS 4 - QD2 LEU 43 far 0 97 0 - 7.9-54.9 H HIS 5 - QD2 LEU 43 far 0 89 0 - 8.2-52.8 Violated in 18 structures by 0.36 A. Peak 11096 from cnoeabs.peaks (7.14, 0.82, 25.52 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.87: HD2 HIS 67 + QD1 LEU 70 OK 87 98 90 98 2.3-7.5 11081/2.1=66...(13) HD2 HIS 67 - QD1 LEU 122 far 6 58 10 - 5.1-9.1 QD TYR 72 - QD1 LEU 70 far 0 100 0 - 5.6-7.8 QD TYR 72 - QD1 LEU 122 far 0 60 0 - 7.5-11.6 Violated in 11 structures by 0.66 A. Peak 11097 from cnoeabs.peaks (7.70, 0.82, 25.52 ppm; 5.32 A): 3 out of 8 assignments used, quality = 0.94: H GLN 101 + QD1 LEU 70 OK 75 76 100 98 2.4-5.7 7415/9487=38, ~11400=32...(26) H LYS 95 + QD1 LEU 70 OK 64 100 70 92 5.7-8.4 ~11083=34, ~11355=30...(17) H GLN 101 + QD1 LEU 122 OK 33 40 90 92 4.4-7.2 11398/2.1=32...(21) H LEU 53 - QD1 LEU 122 poor 13 54 25 - 6.1-9.3 H LYS 95 - QD1 LEU 122 far 6 61 10 - 6.3-9.7 H CYS 45 - QD1 LEU 70 far 0 93 0 - 8.7-12.6 H LEU 53 - QD1 LEU 70 far 0 95 0 - 8.9-14.8 H CYS 45 - QD1 LEU 122 far 0 52 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 11098 from cnoeabs.peaks (7.15, 0.86, 25.01 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.95: HD2 HIS 67 + QD2 LEU 70 OK 90 100 90 100 1.9-7.4 11096/2.1=91...(9) QD TYR 72 + QD2 LEU 70 OK 48 100 70 68 5.4-7.6 11064/2213=19...(14) Violated in 8 structures by 0.16 A. Peak 11099 from cnoeabs.peaks (8.26, 0.82, 25.52 ppm; 4.22 A): 5 out of 16 assignments used, quality = 0.97: H LEU 96 + QD1 LEU 70 OK 79 97 85 95 4.2-7.2 11083/2.1=44...(30) H LEU 123 + QD1 LEU 122 OK 59 60 100 98 1.5-3.8 7744/3.1=31, 3.3/7732=29...(36) H SER 99 + QD1 LEU 70 OK 33 65 65 79 4.7-7.6 3.4/2260=20...(19) H VAL 126 + QD1 LEU 122 OK 31 35 100 88 2.9-5.6 4.0/11676=20...(23) H VAL 126 + QD1 LEU 70 OK 30 68 60 74 3.8-8.6 11083/2.1=20...(19) H LEU 123 - QD1 LEU 70 far 10 100 10 - 5.1-10.2 H LEU 96 - QD1 LEU 122 far 9 57 15 - 4.3-8.0 H SER 99 - QD1 LEU 122 poor 8 33 25 - 4.7-7.8 H ALA 29 - QD1 LEU 70 far 5 90 5 - 4.8-16.7 H SER 107 - QD1 LEU 70 far 0 57 0 - 5.9-11.3 H GLU 30 - QD1 LEU 70 far 0 100 0 - 6.4-16.7 H SER 107 - QD1 LEU 122 far 0 28 0 - 8.0-11.4 H ASP 131 - QD1 LEU 70 far 0 99 0 - 8.8-13.1 H ALA 29 - QD1 LEU 122 far 0 50 0 - 8.9-15.5 H ASP 131 - QD1 LEU 122 far 0 60 0 - 9.1-12.1 H LEU 43 - QD1 LEU 70 far 0 76 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 11101 from cnoeabs.peaks (3.78, 0.82, 25.52 ppm; 3.54 A): 2 out of 12 assignments used, quality = 0.92: HA GLU 97 + QD1 LEU 70 OK 90 90 100 100 1.8-4.3 10000=76, 11090/2.1=65...(36) HB2 SER 99 + QD1 LEU 122 OK 22 46 50 97 3.8-6.7 11479=32, 11379/2.1=25...(37) HA GLU 97 - QD1 LEU 122 far 7 50 15 - 3.4-7.6 HB2 SER 99 - QD1 LEU 70 far 0 85 0 - 5.3-9.3 HA ARG 90 - QD1 LEU 70 far 0 90 0 - 6.9-9.8 HA SER 130 - QD1 LEU 70 far 0 100 0 - 8.0-12.1 HB3 SER 130 - QD1 LEU 70 far 0 100 0 - 8.1-12.6 HA LEU 43 - QD1 LEU 70 far 0 100 0 - 8.6-12.6 HB3 SER 130 - QD1 LEU 122 far 0 61 0 - 8.6-11.2 HA LEU 43 - QD1 LEU 122 far 0 61 0 - 8.9-13.1 HA SER 130 - QD1 LEU 122 far 0 61 0 - 9.1-12.1 HA ARG 90 - QD1 LEU 122 far 0 50 0 - 9.7-14.0 Violated in 3 structures by 0.05 A. Peak 11102 from cnoeabs.peaks (4.21, 0.82, 25.52 ppm; 3.81 A): 1 out of 18 assignments used, quality = 0.99: HA HIS 67 + QD1 LEU 70 OK 99 99 100 100 2.0-4.9 9462=94, 11089/2.1=66...(24) HA HIS 67 - QD1 LEU 122 far 9 58 15 - 3.2-7.7 HA SER 94 - QD1 LEU 70 far 4 76 5 - 5.0-7.7 HA SER 99 - QD1 LEU 122 far 3 58 5 - 5.0-8.1 HA ALA 29 - QD1 LEU 70 far 0 85 0 - 5.5-14.8 HA GLU 30 - QD1 LEU 70 far 0 90 0 - 6.1-15.9 HA SER 99 - QD1 LEU 70 far 0 99 0 - 6.4-9.4 HA ALA 28 - QD1 LEU 70 far 0 63 0 - 6.7-18.3 HA ALA 34 - QD1 LEU 70 far 0 92 0 - 6.7-15.1 HA SER 94 - QD1 LEU 122 far 0 40 0 - 7.3-11.1 HA VAL 105 - QD1 LEU 70 far 0 85 0 - 7.3-12.8 HA VAL 105 - QD1 LEU 122 far 0 46 0 - 8.2-12.5 HA ALA 29 - QD1 LEU 122 far 0 46 0 - 8.4-15.0 HA GLU 128 - QD1 LEU 122 far 0 54 0 - 8.7-11.3 HA SER 51 - QD1 LEU 122 far 0 59 0 - 8.8-12.1 HA GLU 128 - QD1 LEU 70 far 0 95 0 - 8.9-13.3 HA ALA 28 - QD1 LEU 122 far 0 32 0 - 9.7-15.6 HA GLU 30 - QD1 LEU 122 far 0 50 0 - 9.8-16.1 Violated in 4 structures by 0.08 A. Peak 11103 from cnoeabs.peaks (3.77, 0.86, 25.01 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: HA GLU 97 + QD2 LEU 70 OK 100 100 100 100 1.7-4.3 10000/2.1=73...(32) HB2 SER 99 - QD2 LEU 70 far 0 99 0 - 5.3-8.5 HA ARG 90 - QD2 LEU 70 far 0 65 0 - 6.5-10.0 HA SER 130 - QD2 LEU 70 far 0 92 0 - 7.6-11.8 HB3 SER 130 - QD2 LEU 70 far 0 99 0 - 7.6-12.7 HA LEU 43 - QD2 LEU 70 far 0 93 0 - 8.6-12.9 Violated in 7 structures by 0.12 A. Peak 11104 from cnoeabs.peaks (4.21, 0.86, 25.01 ppm; 4.43 A): 1 out of 11 assignments used, quality = 1.00: HA HIS 67 + QD2 LEU 70 OK 100 100 100 100 1.9-5.0 9462/2.1=88...(25) HA SER 94 - QD2 LEU 70 far 12 83 15 - 4.8-8.1 HA GLU 30 - QD2 LEU 70 far 5 95 5 - 5.9-15.2 HA ALA 29 - QD2 LEU 70 far 5 90 5 - 5.8-13.7 HA ALA 28 - QD2 LEU 70 far 4 71 5 - 5.9-17.2 HA SER 99 - QD2 LEU 70 far 0 100 0 - 6.4-9.0 HA VAL 105 - QD2 LEU 70 far 0 78 0 - 7.4-12.8 HA SER 124 - QD2 LEU 70 far 0 63 0 - 7.7-11.7 HA ALA 34 - QD2 LEU 70 far 0 96 0 - 8.2-14.8 HA GLU 128 - QD2 LEU 70 far 0 90 0 - 8.6-12.9 HB THR 25 - QD2 LEU 70 far 0 97 0 - 9.7-19.9 Violated in 2 structures by 0.04 A. Peak 11105 from cnoeabs.peaks (2.93, 3.88, 58.34 ppm; 4.71 A): 1 out of 3 assignments used, quality = 0.99: HG CYS 73 + HA LEU 70 OK 99 99 100 100 1.8-3.7 3.4/2233=67, 3.4/2232=65...(16) HE2 LYS 36 - HA LEU 70 far 0 65 0 - 6.8-15.3 HB2 CYS 45 - HA LEU 70 far 0 96 0 - 7.1-10.8 Violated in 0 structures by 0.00 A. Peak 11106 from cnoeabs.peaks (2.24, 3.88, 58.34 ppm; 6.19 A): 4 out of 8 assignments used, quality = 1.00: HB3 LEU 96 + HA LEU 70 OK 97 98 100 99 3.7-6.1 3.2/11810=81...(10) HG2 GLN 68 + HA LEU 70 OK 51 93 65 84 6.8-9.0 ~11027=52, ~9483=31...(8) HG2 GLU 97 + HA LEU 70 OK 49 68 90 81 2.9-8.1 10016/9484=29...(6) HB3 GLU 97 + HA LEU 70 OK 32 60 85 64 5.7-8.0 9496/2269=29...(4) HB2 GLN 68 - HA LEU 70 poor 17 68 25 - 7.5-8.6 HB3 GLN 104 - HA LEU 70 far 0 76 0 - 8.9-15.0 HB3 GLU 128 - HA LEU 70 far 0 83 0 - 9.7-12.5 HB3 GLN 127 - HA LEU 70 far 0 85 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 11107 from cnoeabs.peaks (3.35, 1.71, 41.52 ppm; 6.38 A): 7 out of 8 assignments used, quality = 1.00: HB2 HIS 67 + HB2 LEU 70 OK 99 99 100 100 4.6-7.6 ~9462=70, ~11088=70...(33) HB2 HIS 67 + HB3 LEU 70 OK 98 98 100 100 4.7-7.8 ~9462=70, ~11088=70...(32) HB3 CYS 73 + HB2 LEU 70 OK 63 63 100 100 4.6-7.9 ~2232=81, ~2232=75...(22) HB3 CYS 73 + HB3 LEU 70 OK 62 62 100 100 4.0-7.7 ~2232=81, ~2232=75...(21) HB3 TYR 72 + HB2 LEU 70 OK 41 98 60 70 6.6-9.1 4.4/9561=29, ~11098=22...(9) HB3 TYR 72 + HB3 LEU 70 OK 41 97 60 70 6.6-9.3 4.4/9561=28, ~11098=22...(9) HA VAL 63 + HB2 LEU 70 OK 28 89 50 62 6.9-9.5 11009/11108=19...(7) HA VAL 63 - HB3 LEU 70 poor 17 88 30 63 6.9-9.4 11009/11108=22...(7) Violated in 0 structures by 0.00 A. Peak 11108 from cnoeabs.peaks (2.81, 1.71, 41.52 ppm; 6.59 A): 2 out of 5 assignments used, quality = 1.00: HB3 ASP 71 + HB2 LEU 70 OK 100 100 100 100 4.0-6.7 6968/4.3=97, 9499/3.2=76...(14) HB3 ASP 71 + HB3 LEU 70 OK 100 100 100 100 3.9-6.3 6968/4.3=97, ~9509=80...(14) HB2 ASN 121 - HB2 LEU 70 far 0 93 0 - 8.6-14.7 HB3 ASP 64 - HB2 LEU 70 far 0 97 0 - 9.6-12.9 HB3 ASP 64 - HB3 LEU 70 far 0 96 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 11109 from cnoeabs.peaks (2.13, 0.86, 25.01 ppm; 3.80 A): 1 out of 3 assignments used, quality = 0.65: HB2 GLU 97 + QD2 LEU 70 OK 65 100 65 100 1.8-5.8 2.9/9486=65...(31) HB VAL 126 - QD2 LEU 70 poor 18 57 60 53 2.0-7.7 3.7/11083=13...(15) HG3 GLU 91 - QD2 LEU 70 far 0 68 0 - 9.4-14.2 Violated in 14 structures by 0.84 A. Peak 11110 from cnoeabs.peaks (2.24, 0.82, 25.52 ppm; 3.39 A): 3 out of 22 assignments used, quality = 0.94: HB3 LEU 96 + QD1 LEU 70 OK 75 100 80 94 2.0-6.6 9496/2.1=36, ~11916=21...(35) HB3 GLU 97 + QD1 LEU 70 OK 53 71 75 100 2.9-5.6 3.0/10000=45...(30) HG2 GLU 97 + QD1 LEU 70 OK 45 57 80 99 1.8-5.7 1.8/9489=46, ~9486=40...(28) HB3 LEU 96 - QD1 LEU 122 poor 19 60 35 91 1.9-6.9 ~10337=12, ~10337=11...(57) HB3 GLN 104 - QD1 LEU 70 far 4 85 5 - 4.0-9.6 HB3 GLN 104 - QD1 LEU 122 far 2 46 5 - 4.0-10.7 HB3 GLU 97 - QD1 LEU 122 far 0 36 0 - 5.4-9.6 HG2 GLN 68 - QD1 LEU 70 far 0 97 0 - 5.6-8.6 HG2 GLU 97 - QD1 LEU 122 far 0 28 0 - 5.8-9.5 HB3 GLN 127 - QD1 LEU 122 far 0 51 0 - 5.9-8.7 HG2 GLN 68 - QD1 LEU 122 far 0 57 0 - 5.9-12.5 HB2 GLN 68 - QD1 LEU 70 far 0 78 0 - 6.2-8.1 HB2 GLN 68 - QD1 LEU 122 far 0 41 0 - 6.4-10.6 HB3 GLU 102 - QD1 LEU 70 far 0 96 0 - 6.9-10.4 HB3 GLU 128 - QD1 LEU 122 far 0 50 0 - 7.4-10.6 HB3 GLN 127 - QD1 LEU 70 far 0 92 0 - 7.6-12.6 HB3 GLU 102 - QD1 LEU 122 far 0 55 0 - 7.8-10.1 HB3 GLU 128 - QD1 LEU 70 far 0 90 0 - 7.9-12.1 HB VAL 105 - QD1 LEU 70 far 0 73 0 - 8.0-12.9 HG2 GLU 91 - QD1 LEU 122 far 0 52 0 - 9.3-14.8 HG2 GLU 91 - QD1 LEU 70 far 0 93 0 - 9.4-12.9 HB VAL 105 - QD1 LEU 122 far 0 38 0 - 9.8-13.3 Violated in 2 structures by 0.02 A. Peak 11111 from cnoeabs.peaks (2.13, 0.82, 25.52 ppm; 3.80 A): 2 out of 7 assignments used, quality = 0.96: HB2 GLU 97 + QD1 LEU 70 OK 95 100 95 100 2.0-5.6 3.0/10000=56...(28) HB VAL 126 + QD1 LEU 122 OK 20 28 80 90 1.8-6.1 2.1/11676=27...(22) HB VAL 126 - QD1 LEU 70 poor 17 57 60 49 1.8-7.9 11109/2.1=15...(11) HB2 GLU 97 - QD1 LEU 122 far 3 61 5 - 4.8-8.9 HB VAL 112 - QD1 LEU 122 far 0 49 0 - 8.9-14.9 HG3 GLU 91 - QD1 LEU 70 far 0 68 0 - 9.8-13.6 HG3 GLU 91 - QD1 LEU 122 far 0 35 0 - 9.9-15.1 Violated in 4 structures by 0.14 A. Peak 11112 from cnoeabs.peaks (2.20, 1.71, 41.52 ppm; 5.89 A): 10 out of 16 assignments used, quality = 1.00: HB3 GLU 97 + HB2 LEU 70 OK 93 93 100 100 4.0-7.1 ~9486=65, ~9486=64...(31) HB3 GLU 97 + HB3 LEU 70 OK 83 92 90 100 4.8-7.7 ~9486=65, ~9486=64...(31) HB2 GLN 101 + HB3 LEU 70 OK 71 99 75 95 5.2-8.3 ~11400=30, 11500/3.2=27...(20) HB2 GLN 101 + HB2 LEU 70 OK 57 100 60 95 4.6-8.2 ~11400=30, 11500/3.2=27...(20) HB2 GLN 68 + HB3 LEU 70 OK 47 88 55 98 6.1-9.3 ~6938=56, 9483/3.2=42...(16) HB2 GLN 68 + HB2 LEU 70 OK 44 89 50 98 6.0-8.9 ~6938=56, 9483/3.2=42...(16) HB3 GLN 68 + HB3 LEU 70 OK 35 72 50 97 6.5-9.1 ~6938=56, 9483/3.2=43...(14) HG2 GLN 68 + HB2 LEU 70 OK 29 60 60 81 6.0-9.5 ~11027=45, ~9483=26...(10) HB3 GLN 68 + HB2 LEU 70 OK 25 73 35 97 6.5-9.2 ~6938=56, 9483/3.2=43...(15) HG2 GLN 68 + HB3 LEU 70 OK 24 59 50 80 6.0-8.4 ~11027=45, ~9483=26...(9) HB2 GLN 104 - HB2 LEU 70 poor 19 95 20 - 6.7-11.5 HB2 GLN 104 - HB3 LEU 70 far 14 94 15 - 5.9-12.2 HB3 GLN 104 - HB3 LEU 70 far 12 82 15 - 6.3-13.2 HB3 GLN 104 - HB2 LEU 70 far 8 83 10 - 6.7-12.4 HB3 GLN 127 - HB2 LEU 70 far 0 73 0 - 9.7-15.1 HB3 GLU 128 - HB2 LEU 70 far 0 76 0 - 10.0-15.1 Violated in 0 structures by 0.00 A. Peak 11113 from cnoeabs.peaks (1.38, 1.71, 41.52 ppm; 5.24 A): 6 out of 21 assignments used, quality = 1.00: HG LEU 96 + HB3 LEU 70 OK 88 92 95 100 2.1-7.0 ~11810=53, 11917/3.2=43...(27) HB3 LEU 100 + HB2 LEU 70 OK 85 100 85 100 4.1-6.9 ~11115=47, ~11094=42...(37) HB3 LEU 100 + HB3 LEU 70 OK 84 99 85 100 5.0-7.1 ~11115=47, ~11094=42...(34) HG LEU 96 + HB2 LEU 70 OK 84 93 90 100 1.9-7.0 ~11810=53, 11917/3.2=43...(28) HB2 LEU 96 + HB2 LEU 70 OK 80 100 80 100 3.8-7.6 11916/3.2=53, ~11810=41...(40) HB2 LEU 96 + HB3 LEU 70 OK 70 100 70 100 4.4-7.9 11916/3.2=53, ~11810=41...(37) QB ALA 29 - HB2 LEU 70 poor 20 100 20 - 6.2-12.6 QB ALA 29 - HB3 LEU 70 far 15 100 15 - 4.8-12.3 QB ALA 108 - HB2 LEU 70 far 5 100 5 - 6.4-15.4 QB ALA 108 - HB3 LEU 70 far 5 100 5 - 6.3-14.3 HG3 LYS 95 - HB2 LEU 70 far 0 100 0 - 7.4-13.5 HG2 LYS 95 - HB2 LEU 70 far 0 100 0 - 7.9-13.7 QB ALA 109 - HB3 LEU 70 far 0 99 0 - 8.8-16.2 HG2 LYS 36 - HB3 LEU 70 far 0 100 0 - 8.9-15.5 HG3 LYS 95 - HB3 LEU 70 far 0 100 0 - 9.0-13.0 QB ALA 109 - HB2 LEU 70 far 0 100 0 - 9.0-16.9 QB ALA 28 - HB3 LEU 70 far 0 100 0 - 9.3-16.2 HG2 LYS 95 - HB3 LEU 70 far 0 99 0 - 9.5-13.7 HG2 LYS 36 - HB2 LEU 70 far 0 100 0 - 9.6-15.3 QB ALA 28 - HB2 LEU 70 far 0 100 0 - 9.8-16.7 QB ALA 15 - HB3 LEU 70 far 0 100 0 - 9.9-32.1 Violated in 0 structures by 0.00 A. Peak 11114 from cnoeabs.peaks (1.40, 0.86, 25.01 ppm; 3.54 A): 3 out of 16 assignments used, quality = 0.98: HG LEU 96 + QD2 LEU 70 OK 83 100 85 98 1.7-5.9 3.0/9496=32...(38) HB2 LEU 96 + QD2 LEU 70 OK 65 89 75 98 2.3-6.2 1.8/9496=43, 11916=29...(47) HB3 LEU 100 + QD2 LEU 70 OK 64 87 75 97 2.7-6.5 3.2/11115=52, ~9487=22...(42) QB ALA 29 - QD2 LEU 70 far 9 89 10 - 3.3-11.0 QB ALA 108 - QD2 LEU 70 far 0 95 0 - 5.8-13.3 QB ALA 34 - QD2 LEU 70 far 0 81 0 - 6.1-14.0 QB ALA 109 - QD2 LEU 70 far 0 98 0 - 6.6-14.3 QB ALA 28 - QD2 LEU 70 far 0 93 0 - 6.6-14.8 QB ALA 15 - QD2 LEU 70 far 0 92 0 - 6.9-28.3 HG2 LYS 95 - QD2 LEU 70 far 0 97 0 - 7.6-10.5 HG2 LYS 36 - QD2 LEU 70 far 0 89 0 - 7.6-13.3 HG3 LYS 31 - QD2 LEU 70 far 0 99 0 - 8.1-16.4 QB ALA 110 - QD2 LEU 70 far 0 92 0 - 8.1-15.7 HB2 LEU 42 - QD2 LEU 70 far 0 85 0 - 8.1-11.4 HG3 LYS 95 - QD2 LEU 70 far 0 96 0 - 8.1-9.9 HG3 LYS 26 - QD2 LEU 70 far 0 90 0 - 8.5-17.1 Violated in 2 structures by 0.10 A. Peak 11115 from cnoeabs.peaks (0.60, 0.86, 25.01 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 100 + QD2 LEU 70 OK 99 100 100 100 1.7-4.4 9487/2.1=58...(47) QD1 LEU 42 - QD2 LEU 70 far 0 60 0 - 5.3-8.3 Violated in 9 structures by 0.19 A. Peak 11116 from cnoeabs.peaks (0.65, 3.88, 58.34 ppm; 5.49 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 129 + HA LEU 70 OK 99 99 100 100 3.7-6.2 11709=99, 10487/9484=76...(20) QD1 LEU 42 + HA LEU 70 OK 84 95 90 99 4.8-8.6 2.1/10876=75...(15) QD2 LEU 62 - HA LEU 70 far 0 60 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 11117 from cnoeabs.peaks (1.63, 4.42, 57.33 ppm; 5.44 A): 1 out of 5 assignments used, quality = 0.85: HG LEU 70 + HA ASP 71 OK 85 85 100 100 3.2-6.4 3.0/9509=79...(17) HD3 LYS 31 - HA ASP 71 far 3 60 5 - 5.6-19.5 HD2 LYS 26 - HA ASP 71 far 0 60 0 - 7.9-22.2 HD3 LYS 26 - HA ASP 71 far 0 65 0 - 8.1-22.7 HB2 LEU 122 - HA ASP 71 far 0 78 0 - 9.6-13.7 Violated in 13 structures by 0.41 A. Peak 11118 from cnoeabs.peaks (2.21, 2.81, 39.26 ppm; 6.80 A): 3 out of 8 assignments used, quality = 0.99: HB2 GLN 68 + HB3 ASP 71 OK 96 96 100 100 4.9-8.1 3.0/2129=100, ~2128=91...(18) HG2 GLN 68 + HB3 ASP 71 OK 70 73 95 100 4.7-8.4 3.7/2129=99...(15) HB3 GLN 68 + HB3 ASP 71 OK 60 60 100 100 4.3-7.3 3.0/2129=100, ~2128=91...(19) HB2 GLN 101 - HB3 ASP 71 far 10 100 10 - 7.5-11.3 HB3 GLU 97 - HB3 ASP 71 far 5 98 5 - 7.9-10.5 HB2 GLN 104 - HB3 ASP 71 far 4 87 5 - 8.1-15.0 HB3 LEU 96 - HB3 ASP 71 far 0 60 0 - 8.6-11.7 HB3 GLN 104 - HB3 ASP 71 far 0 92 0 - 8.8-15.4 Violated in 0 structures by 0.00 A. Peak 11119 from cnoeabs.peaks (2.23, 2.63, 39.26 ppm; 6.63 A): 2 out of 5 assignments used, quality = 1.00: HG2 GLN 68 + HB2 ASP 71 OK 100 100 100 100 5.4-7.3 2151/2128=98...(12) HB2 GLN 68 + HB2 ASP 71 OK 93 93 100 100 6.0-6.9 3.0/2128=100, ~2129=90...(17) HB3 GLU 97 - HB2 ASP 71 far 4 89 5 - 7.6-11.5 HB2 GLN 101 - HB2 ASP 71 far 3 65 5 - 6.6-12.8 HB3 LEU 96 - HB2 ASP 71 far 0 100 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 11120 from cnoeabs.peaks (8.45, 2.63, 39.26 ppm; 6.59 A): 1 out of 2 assignments used, quality = 0.85: H LEU 70 + HB2 ASP 71 OK 85 85 100 100 5.1-6.0 3.4/6967=100, ~6968=89...(12) H ALA 34 - HB2 ASP 71 lone 2 92 35 5 1.9-12.1 3.6/2286=3 Violated in 0 structures by 0.00 A. Peak 11122 from cnoeabs.peaks (0.83, 4.38, 64.37 ppm; 5.25 A): 5 out of 8 assignments used, quality = 1.00: QG2 ILE 129 + HA CYS 73 OK 97 97 100 100 2.7-4.4 10457/11145=57...(33) QG1 VAL 133 + HA CYS 73 OK 96 100 100 96 4.6-5.9 11756/11145=63...(14) QD2 LEU 70 + HA CYS 73 OK 38 71 55 98 5.4-8.3 ~9490=35, 11094/3.0=34...(19) QD1 LEU 70 + HA CYS 73 OK 23 95 25 96 5.8-8.6 9490/3.0=47, ~11094=39...(15) QG2 ILE 80 + HA CYS 73 OK 21 87 30 82 4.4-9.1 3.1/9571=32...(18) HG13 ILE 80 - HA CYS 73 far 5 99 5 - 6.4-10.3 QG2 ILE 32 - HA CYS 73 far 0 76 0 - 7.1-13.7 QD1 LEU 122 - HA CYS 73 far 0 71 0 - 8.3-12.6 Violated in 0 structures by 0.00 A. Peak 11124 from cnoeabs.peaks (7.39, 4.38, 64.37 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 89 + HA CYS 73 OK 99 99 100 100 1.9-3.3 2.2/9538=89...(27) Violated in 0 structures by 0.00 A. Peak 11125 from cnoeabs.peaks (7.59, 4.38, 64.37 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.53: H ASP 78 + HA CYS 73 OK 53 100 60 88 6.0-6.7 7033/11789=52...(12) Violated in 20 structures by 1.43 A. Peak 11126 from cnoeabs.peaks (6.50, 4.38, 64.37 ppm; 5.89 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 76 + HA CYS 73 OK 100 100 100 100 2.7-4.8 2.6/11137=81...(21) Violated in 0 structures by 0.00 A. Peak 11127 from cnoeabs.peaks (1.64, 4.07, 62.61 ppm; 5.48 A): 0 out of 16 assignments used, quality = 0.00: HD3 LYS 31 - HB3 SER 74 far 4 89 5 - 4.4-22.4 HD3 LYS 31 - HB2 SER 74 far 4 89 5 - 5.4-23.1 HD2 LYS 31 - HB3 SER 74 far 4 87 5 - 5.5-21.8 HD2 LYS 31 - HB2 SER 74 far 4 87 5 - 6.3-23.2 HB2 LEU 69 - HB2 SER 74 far 0 68 0 - 7.7-11.8 HB2 LEU 69 - HB3 SER 74 far 0 68 0 - 8.3-10.1 HD3 LYS 36 - HB3 SER 74 far 0 65 0 - 8.8-17.2 HD2 LYS 36 - HB3 SER 74 far 0 65 0 - 8.8-16.5 HD3 LYS 26 - HB3 SER 74 far 0 92 0 - 9.2-24.8 HD2 LYS 36 - HB2 SER 74 far 0 65 0 - 9.3-16.3 HD3 LYS 95 - HB2 SER 74 far 0 90 0 - 9.3-13.4 HD2 LYS 26 - HB3 SER 74 far 0 89 0 - 9.3-23.7 HD3 LYS 95 - HB3 SER 74 far 0 90 0 - 9.4-13.6 HD3 LYS 86 - HB2 SER 74 far 0 90 0 - 9.8-15.3 HD3 LYS 36 - HB2 SER 74 far 0 65 0 - 9.9-17.0 HD2 LYS 95 - HB2 SER 74 far 0 97 0 - 10.0-13.1 Violated in 19 structures by 1.55 A. Peak 11128 from cnoeabs.peaks (1.78, 4.29, 61.54 ppm; 4.01 A): 2 out of 6 assignments used, quality = 0.64: HB2 LYS 24 + HA THR 25 OK 44 60 75 98 3.9-6.1 ~6233=38, 6232/3.0=36...(25) HB2 LYS 26 + HA THR 25 OK 35 68 55 94 4.4-6.5 4.0/582=64, 3.0/11150=23...(28) HB2 LEU 48 - HA THR 25 far 5 100 5 - 3.8-26.9 HB2 LYS 19 - HA THR 25 far 3 68 5 - 4.7-19.1 HB2 ARG 23 - HA THR 25 far 0 81 0 - 5.9-8.3 HB3 LEU 98 - HA THR 25 far 0 98 0 - 7.3-29.3 Violated in 17 structures by 0.55 A. Peak 11129 from cnoeabs.peaks (2.77, 4.07, 62.61 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.98: HB2 TYR 76 + HB3 SER 74 OK 65 92 90 79 6.7-9.4 9586/4.6=43...(8) HB2 CYS 73 + HB2 SER 74 OK 63 68 100 93 3.9-6.8 4.4/7012=49, 9588/3.0=45...(9) HB2 CYS 73 + HB3 SER 74 OK 63 68 100 92 3.9-6.6 4.4/7012=49, 9588/3.0=45...(9) HB2 TYR 76 + HB2 SER 74 OK 48 92 65 80 6.9-9.8 9586/4.6=43...(8) HB3 ASP 35 - HB3 SER 74 far 0 73 0 - 8.8-18.3 Violated in 0 structures by 0.00 A. Peak 11130 from cnoeabs.peaks (0.78, 4.07, 62.61 ppm; 4.99 A): 2 out of 12 assignments used, quality = 0.98: QD1 LEU 96 + HB2 SER 74 OK 90 99 100 91 3.1-6.0 11710/3.0=30...(19) QD1 LEU 96 + HB3 SER 74 OK 85 99 95 91 3.0-7.3 11710/3.0=30...(19) QD1 ILE 32 - HB2 SER 74 far 5 100 5 - 1.9-14.1 QD1 ILE 32 - HB3 SER 74 far 5 100 5 - 1.9-14.1 QD1 ILE 37 - HB3 SER 74 far 5 100 5 - 6.0-12.0 QD1 LEU 122 - HB3 SER 74 far 0 65 0 - 7.4-12.9 QD1 ILE 37 - HB2 SER 74 far 0 100 0 - 7.5-11.9 QD2 LEU 122 - HB3 SER 74 far 0 99 0 - 7.6-11.7 QD2 LEU 122 - HB2 SER 74 far 0 99 0 - 8.0-12.8 QD1 LEU 122 - HB2 SER 74 far 0 65 0 - 8.1-12.5 QD2 LEU 49 - HB3 SER 74 far 0 89 0 - 9.1-11.5 QD2 LEU 49 - HB2 SER 74 far 0 89 0 - 9.2-11.8 Violated in 1 structures by 0.04 A. Peak 11131 from cnoeabs.peaks (0.91, 4.07, 62.61 ppm; 4.99 A): 0 out of 4 assignments used, quality = 0.00: QG2 ILE 37 - HB3 SER 74 far 0 60 0 - 6.8-11.2 QG2 ILE 37 - HB2 SER 74 far 0 60 0 - 7.7-12.3 QG1 VAL 118 - HB2 SER 74 far 0 99 0 - 9.4-13.2 QG2 VAL 20 - HB3 SER 74 far 0 92 0 - 9.6-27.1 Violated in 20 structures by 2.71 A. Peak 11132 from cnoeabs.peaks (4.08, 4.32, 45.60 ppm; 5.65 A): 2 out of 3 assignments used, quality = 0.99: HB2 SER 74 + HA2 GLY 75 OK 90 97 100 93 5.1-6.1 7019/2.9=45, ~7019=36...(10) HB3 SER 74 + HA2 GLY 75 OK 90 98 100 92 4.4-5.8 7019/2.9=45, ~7018=36...(10) HA CYS 79 - HA2 GLY 75 far 0 63 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 11133 from cnoeabs.peaks (0.93, 4.31, 59.97 ppm; 5.90 A): 1 out of 2 assignments used, quality = 0.58: QG2 ILE 37 + HA TYR 76 OK 58 97 60 100 2.2-10.5 10667/3.0=98...(24) QG1 VAL 20 - HA TYR 76 far 0 87 0 - 9.2-29.8 Violated in 10 structures by 1.37 A. Peak 11134 from cnoeabs.peaks (1.04, 4.31, 59.97 ppm; 5.74 A): 2 out of 2 assignments used, quality = 0.95: QG1 VAL 77 + HA TYR 76 OK 85 85 100 100 4.8-5.2 7043/3.6=83, 9611/3.0=77...(27) QG2 VAL 133 + HA TYR 76 OK 65 100 65 100 5.5-9.2 10555/4.7=81...(14) Violated in 0 structures by 0.00 A. Peak 11136 from cnoeabs.peaks (2.83, 4.31, 59.97 ppm; 4.93 A): 0 out of 2 assignments used, quality = 0.00: HB3 ASP 71 - HA TYR 76 far 0 85 0 - 9.7-11.0 HB3 ASN 85 - HA TYR 76 far 0 97 0 - 9.8-12.5 Violated in 20 structures by 4.58 A. Peak 11137 from cnoeabs.peaks (4.39, 3.13, 40.72 ppm; 5.49 A): 1 out of 5 assignments used, quality = 0.99: HA CYS 73 + HB3 TYR 76 OK 99 99 100 100 1.9-4.6 11789/7029=74...(22) HA SER 33 - HB3 TYR 76 far 15 100 15 - 5.9-17.3 HA ASP 71 - HB3 TYR 76 far 0 73 0 - 7.1-8.5 HA ASP 78 - HB3 TYR 76 far 0 99 0 - 7.5-8.2 HA SER 9 - HB3 TYR 76 far 0 100 0 - 8.7-46.5 Violated in 0 structures by 0.00 A. Peak 11138 from cnoeabs.peaks (1.13, 2.77, 40.87 ppm; 4.34 A): 2 out of 8 assignments used, quality = 1.00: QG2 VAL 132 + HB2 ASP 131 OK 99 99 100 100 4.1-5.1 4.0/7914=59, ~10516=49...(25) QG1 VAL 132 + HB2 ASP 131 OK 75 100 75 100 2.9-6.3 4.0/7914=60, ~10516=49...(25) HG2 LYS 39 - HB2 TYR 76 far 4 77 5 - 4.5-10.8 QG2 VAL 132 - HB2 TYR 76 far 0 74 0 - 6.2-10.4 HG3 LYS 39 - HB2 TYR 76 far 0 46 0 - 6.3-9.9 QG1 VAL 132 - HB2 TYR 76 far 0 78 0 - 8.1-11.9 HG2 LYS 39 - HB2 ASP 131 far 0 100 0 - 8.5-14.3 HG3 LYS 39 - HB2 ASP 131 far 0 68 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 11141 from cnoeabs.peaks (7.31, 4.31, 59.97 ppm; 5.94 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 89 + HA TYR 76 OK 100 100 100 100 4.7-7.0 11166/3.0=85...(11) Violated in 2 structures by 0.06 A. Peak 11142 from cnoeabs.peaks (7.32, 2.76, 40.72 ppm; 6.49 A): 2 out of 4 assignments used, quality = 0.94: HZ PHE 89 + HB2 TYR 76 OK 83 83 100 100 1.8-6.4 11164/3.0=89...(16) H ARG 135 + HB2 ASP 131 OK 66 69 100 96 5.8-7.6 10624/10528=74...(9) HE ARG 90 - HB2 TYR 76 far 0 71 0 - 8.4-12.9 HZ PHE 89 - HB2 ASP 131 far 0 57 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 11143 from cnoeabs.peaks (7.31, 3.13, 40.72 ppm; 6.55 A): 1 out of 2 assignments used, quality = 0.98: HZ PHE 89 + HB3 TYR 76 OK 98 98 100 100 1.9-5.1 11165/1.8=97...(13) H ARG 135 - HB3 TYR 76 far 0 100 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 11144 from cnoeabs.peaks (6.50, 1.18, 22.07 ppm; 5.32 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 76 + QG2 VAL 77 OK 99 99 100 100 3.9-5.3 5.0/7044=69...(32) QE TYR 76 + QG2 VAL 77 OK 73 73 100 100 4.6-6.0 ~11171=52, ~11150=42...(26) Violated in 0 structures by 0.00 A. Peak 11145 from cnoeabs.peaks (6.49, 1.06, 19.25 ppm; 5.26 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + QG1 VAL 77 OK 97 97 100 100 4.9-5.8 5.0/7043=72, 4.6/9611=61...(25) QE TYR 76 + QG1 VAL 77 OK 72 85 85 100 6.0-6.8 11169/2.1=44, ~11150=41...(22) Violated in 2 structures by 0.02 A. Peak 11148 from cnoeabs.peaks (7.42, 1.18, 22.07 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.83: QE PHE 89 + QG2 VAL 77 OK 83 83 100 100 2.2-3.7 2.2/9677=84, 9673/2.1=68...(27) Violated in 0 structures by 0.00 A. Peak 11149 from cnoeabs.peaks (7.34, 1.06, 19.25 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.98: HE ARG 90 + QG1 VAL 77 OK 98 98 100 100 2.1-5.9 11842=97, 11841/2.1=90...(19) QD PHE 87 - QG1 VAL 77 far 0 73 0 - 6.8-8.9 Violated in 1 structures by 0.06 A. Peak 11150 from cnoeabs.peaks (6.51, 2.33, 31.62 ppm; 6.53 A): 1 out of 1 assignment used, quality = 0.97: QD TYR 76 + HB VAL 77 OK 97 97 100 100 4.1-5.6 11171/2.1=94...(30) Violated in 0 structures by 0.00 A. Peak 11151 from cnoeabs.peaks (7.79, 1.06, 19.25 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: H GLY 75 + QG1 VAL 77 OK 100 100 100 100 3.9-5.1 3.1/9611=98, 3.6/9592=97...(20) Violated in 0 structures by 0.00 A. Peak 11152 from cnoeabs.peaks (1.95, 1.06, 19.25 ppm; 4.98 A): 2 out of 8 assignments used, quality = 1.00: HB3 ARG 90 + QG1 VAL 77 OK 100 100 100 100 3.0-5.8 2.9/9652=84...(32) HB3 LYS 86 + QG1 VAL 77 OK 88 98 90 100 4.9-6.6 3.0/9650=85, 3.0/9650=84...(37) HB2 GLU 30 - QG1 VAL 77 far 5 97 5 - 5.3-24.8 HB2 MET 11 - QG1 VAL 77 far 0 76 0 - 7.5-38.1 HB ILE 37 - QG1 VAL 77 far 0 78 0 - 8.8-14.0 HB2 GLN 27 - QG1 VAL 77 far 0 85 0 - 9.8-25.8 HB3 PRO 81 - QG1 VAL 77 far 0 100 0 - 9.9-10.9 HB2 LYS 95 - QG1 VAL 77 far 0 98 0 - 9.9-11.8 Violated in 3 structures by 0.04 A. Peak 11153 from cnoeabs.peaks (1.65, 1.06, 19.25 ppm; 4.12 A): 2 out of 7 assignments used, quality = 0.84: HD2 LYS 86 + QG1 VAL 77 OK 64 99 65 100 3.7-7.2 3.0/9650=64, 3.0/9650=64...(40) HD3 LYS 86 + QG1 VAL 77 OK 54 99 55 100 2.5-7.8 3.0/9650=64, 3.0/9650=64...(39) QB ALA 88 - QG1 VAL 77 far 0 98 0 - 7.3-8.8 HD3 LYS 31 - QG1 VAL 77 far 0 99 0 - 8.5-23.5 HD2 LYS 95 - QG1 VAL 77 far 0 100 0 - 9.2-11.7 HD3 LYS 95 - QG1 VAL 77 far 0 99 0 - 9.4-11.9 HD2 LYS 31 - QG1 VAL 77 far 0 98 0 - 9.8-23.3 Violated in 14 structures by 0.55 A. Peak 11154 from cnoeabs.peaks (4.30, 1.06, 19.25 ppm; 4.15 A): 3 out of 6 assignments used, quality = 1.00: HA SER 74 + QG1 VAL 77 OK 99 99 100 100 3.1-4.5 9592=98, 11195/2.1=45...(20) HA TYR 76 + QG1 VAL 77 OK 92 92 100 100 4.8-5.2 3.6/7043=69, 3.0/9611=53...(27) HA2 GLY 75 + QG1 VAL 77 OK 78 81 100 96 4.3-5.5 3.5/9611=47...(14) HA LYS 31 - QG1 VAL 77 far 0 83 0 - 8.1-22.4 HA ALA 16 - QG1 VAL 77 far 0 81 0 - 9.3-37.5 HA ALA 12 - QG1 VAL 77 far 0 96 0 - 9.7-37.6 Violated in 0 structures by 0.00 A. Peak 11155 from cnoeabs.peaks (4.37, 1.06, 19.25 ppm; 4.12 A): 2 out of 4 assignments used, quality = 0.99: HA ASP 78 + QG1 VAL 77 OK 97 97 100 100 2.9-3.2 9695=95, 2.9/7052=82...(22) HA CYS 73 + QG1 VAL 77 OK 51 97 55 97 5.1-6.1 11125/7052=45...(18) HA SER 9 - QG1 VAL 77 far 4 83 5 - 5.2-40.2 HA SER 33 - QG1 VAL 77 far 0 76 0 - 7.2-18.8 Violated in 0 structures by 0.00 A. Peak 11156 from cnoeabs.peaks (3.05, 1.18, 22.07 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.81: HE2 LYS 86 + QG2 VAL 77 OK 81 90 90 100 2.3-6.6 1.8/9660=89...(21) Violated in 14 structures by 0.59 A. Peak 11157 from cnoeabs.peaks (3.89, 1.18, 22.07 ppm; 4.11 A): 1 out of 5 assignments used, quality = 1.00: HA LYS 86 + QG2 VAL 77 OK 100 100 100 100 2.1-4.2 9818=96, 3.0/9663=76...(29) HA3 GLY 75 - QG2 VAL 77 far 0 89 0 - 5.8-6.7 HB2 SER 94 - QG2 VAL 77 far 0 90 0 - 6.1-8.0 HA LEU 70 - QG2 VAL 77 far 0 100 0 - 7.5-9.1 HB2 SER 33 - QG2 VAL 77 far 0 71 0 - 9.6-19.8 Violated in 2 structures by 0.00 A. Peak 11158 from cnoeabs.peaks (1.17, 4.38, 55.75 ppm; 5.55 A): 1 out of 2 assignments used, quality = 0.98: QG2 VAL 77 + HA ASP 78 OK 98 98 100 100 4.1-4.8 2.1/9695=99, 7053/2.9=94...(23) QG2 THR 18 - HA ASP 78 far 0 100 0 - 8.4-36.2 Violated in 0 structures by 0.00 A. Peak 11159 from cnoeabs.peaks (1.19, 2.51, 39.87 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 77 + HB2 ASP 78 OK 99 99 100 100 4.8-6.5 2.1/9692=100...(18) HG12 ILE 80 + HB2 ASP 78 OK 52 78 80 83 5.6-9.0 9696/7061=47, ~9723=28...(6) QG2 THR 18 - HB2 ASP 78 far 0 87 0 - 8.4-35.6 HG12 ILE 32 - HB2 ASP 78 far 0 65 0 - 9.2-24.6 Violated in 0 structures by 0.00 A. Peak 11160 from cnoeabs.peaks (1.19, 2.74, 39.87 ppm; 6.55 A): 2 out of 11 assignments used, quality = 1.00: QG2 VAL 77 + HB3 ASP 78 OK 100 100 100 100 5.1-6.3 2.1/9693=100...(27) HG12 ILE 80 + HB3 ASP 78 OK 41 71 80 72 5.8-9.2 9696/4.3=42...(6) QG2 THR 25 - HB3 ASP 35 poor 14 56 25 - 4.1-20.7 HG12 ILE 32 - HB2 ASP 64 poor 14 54 25 - 4.2-17.2 QB ALA 41 - HB3 ASP 35 poor 12 45 65 41 4.3-9.2 10806/3.0=34...(3) HG12 ILE 32 - HB3 ASP 35 poor 10 34 30 - 5.9-12.2 QG2 THR 25 - HB2 ASP 64 far 8 83 10 - 1.9-21.5 QG2 THR 18 - HB3 ASP 35 far 5 47 10 - 7.6-32.0 QG2 THR 18 - HB3 ASP 78 far 5 92 5 - 7.2-35.4 QG2 THR 18 - HB2 ASP 64 far 4 72 5 - 7.0-27.9 HG12 ILE 32 - HB3 ASP 78 far 0 73 0 - 8.2-24.4 Violated in 0 structures by 0.00 A. Peak 11161 from cnoeabs.peaks (2.05, 2.74, 39.87 ppm; 5.49 A): 2 out of 18 assignments used, quality = 0.59: HB VAL 63 + HB2 ASP 64 OK 48 48 100 100 4.5-5.8 ~10969=67, ~10980=64...(17) HB2 LEU 62 + HB2 ASP 64 OK 21 80 50 51 6.2-7.6 3.2/9414=13, ~10987=12...(6) HB3 GLN 27 - HB2 ASP 64 far 11 76 15 - 6.4-18.4 HB3 GLU 30 - HB2 ASP 64 poor 11 44 25 - 3.8-21.2 HB3 MET 11 - HB3 ASP 78 far 3 68 5 - 5.9-46.2 HB3 GLU 30 - HB3 ASP 78 far 3 60 5 - 4.6-30.8 HG3 PRO 58 - HB2 ASP 64 far 3 57 5 - 6.9-9.1 HB2 GLU 44 - HB3 ASP 35 far 2 33 5 - 6.4-15.3 HB3 GLU 44 - HB3 ASP 35 far 1 27 5 - 6.1-16.9 QE MET 11 - HB3 ASP 78 far 0 99 0 - 7.2-39.5 HG2 PRO 58 - HB2 ASP 64 far 0 59 0 - 7.5-9.9 HB3 MET 11 - HB3 ASP 35 far 0 31 0 - 8.3-34.6 HB3 GLN 27 - HB3 ASP 35 far 0 50 0 - 8.6-20.1 HG2 ARG 90 - HB3 ASP 78 far 0 68 0 - 9.0-11.2 HB3 GLU 40 - HB3 ASP 35 far 0 49 0 - 9.0-15.9 QE MET 11 - HB3 ASP 35 far 0 53 0 - 9.1-31.1 QE MET 11 - HB2 ASP 64 far 0 80 0 - 9.7-34.4 HB3 GLU 30 - HB3 ASP 35 far 0 27 0 - 9.8-15.8 Violated in 1 structures by 0.01 A. Peak 11163 from cnoeabs.peaks (6.95, 4.38, 55.75 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.98: H ILE 80 + HA ASP 78 OK 98 98 100 100 3.8-4.2 9734=95, 7066/3.6=92...(6) Violated in 0 structures by 0.00 A. Peak 11164 from cnoeabs.peaks (2.33, 4.38, 55.75 ppm; 5.28 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 77 + HA ASP 78 OK 99 99 100 100 5.4-5.6 2.1/9695=98, 7051/2.9=93...(26) HG3 GLU 30 - HA ASP 78 far 0 100 0 - 8.6-31.6 Violated in 20 structures by 0.23 A. Peak 11165 from cnoeabs.peaks (2.36, 2.51, 39.87 ppm; 5.58 A): 1 out of 2 assignments used, quality = 0.73: HB VAL 77 + HB2 ASP 78 OK 73 73 100 100 5.3-6.7 2.1/9653=93, 4.5/7055=85...(21) HG3 GLU 30 - HB2 ASP 78 far 0 65 0 - 9.1-30.8 Violated in 17 structures by 0.82 A. Peak 11166 from cnoeabs.peaks (1.74, 2.61, 27.19 ppm; 5.08 A): 1 out of 4 assignments used, quality = 0.70: HB ILE 80 + HB3 CYS 79 OK 70 100 70 100 5.9-7.6 7073/4.4=75...(27) HD3 LYS 39 - HB3 CYS 79 far 10 68 15 - 5.7-11.7 HB2 LYS 39 - HB3 CYS 79 far 8 78 10 - 4.5-10.3 HB2 LYS 19 - HB3 CYS 79 far 0 97 0 - 9.2-39.1 Violated in 20 structures by 1.44 A. Peak 11167 from cnoeabs.peaks (1.48, 1.74, 38.49 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.99: HG3 LYS 86 + HB ILE 80 OK 99 99 100 100 1.8-5.7 1.8/9713=87...(43) HG LEU 42 - HB ILE 80 far 0 100 0 - 8.6-12.7 Violated in 2 structures by 0.02 A. Peak 11168 from cnoeabs.peaks (2.00, 4.12, 58.67 ppm; 4.54 A): 1 out of 9 assignments used, quality = 1.00: HG2 PRO 81 + HA ILE 80 OK 100 100 100 100 4.4-4.7 1.8/11784=87...(24) HB3 MET 11 - HA CYS 79 far 2 43 5 - 3.6-46.8 HG2 ARG 90 - HA ILE 80 far 0 85 0 - 7.9-12.5 HG3 ARG 135 - HA ILE 80 far 0 60 0 - 8.1-10.9 HB3 MET 11 - HA ILE 80 far 0 85 0 - 8.3-45.0 HG2 PRO 81 - HA CYS 79 far 0 57 0 - 8.5-8.9 HB ILE 129 - HA ILE 80 far 0 100 0 - 9.4-11.3 HB2 GLN 134 - HA ILE 80 far 0 89 0 - 9.7-12.0 HG2 ARG 90 - HA CYS 79 far 0 43 0 - 9.8-13.2 Violated in 10 structures by 0.04 A. Peak 11169 from cnoeabs.peaks (1.65, 0.27, 13.24 ppm; 4.61 A): 3 out of 11 assignments used, quality = 1.00: HD3 LYS 86 + QD1 ILE 80 OK 98 98 100 100 2.6-5.3 3.0/9720=75...(54) HD2 LYS 86 + QD1 ILE 80 OK 98 98 100 100 3.5-5.9 3.0/9720=75...(54) QB ALA 88 + QD1 ILE 80 OK 72 97 75 99 4.8-7.5 3.7/11184=50...(21) HG3 ARG 84 - QD1 ILE 80 poor 19 95 20 - 5.8-10.3 HG2 ARG 84 - QD1 ILE 80 far 14 95 15 - 5.5-10.4 HG LEU 43 - QD1 ILE 80 far 0 99 0 - 7.5-11.7 HD2 LYS 39 - QD1 ILE 80 far 0 63 0 - 7.9-11.8 HD2 LYS 36 - QD1 ILE 80 far 0 83 0 - 9.1-17.3 HB2 LEU 69 - QD1 ILE 80 far 0 85 0 - 9.6-14.1 HD2 LYS 95 - QD1 ILE 80 far 0 100 0 - 9.7-13.6 HD3 LYS 36 - QD1 ILE 80 far 0 83 0 - 10.0-18.0 Violated in 1 structures by 0.01 A. Peak 11170 from cnoeabs.peaks (3.44, 0.82, 27.07 ppm; 6.12 A): 2 out of 2 assignments used, quality = 0.97: HA VAL 77 + HG13 ILE 80 OK 96 96 100 100 3.5-5.2 9725/2.1=100...(51) HA ILE 129 + HG13 ILE 80 OK 32 68 50 95 6.6-10.6 10485/2.1=25...(23) Violated in 0 structures by 0.00 A. Peak 11171 from cnoeabs.peaks (3.87, 0.81, 17.22 ppm; 3.94 A): 2 out of 15 assignments used, quality = 0.98: HD2 PRO 81 + QG2 ILE 80 OK 90 90 100 100 1.8-3.5 4.0=92, 2478/3.2=50...(43) HA LYS 86 + QG2 ILE 80 OK 83 83 100 100 2.3-3.8 9727/3.1=52, 9729/2.1=42...(42) HA LEU 70 - QG2 ILE 129 poor 19 60 40 79 4.9-6.5 11709/4163=42, 2228=21...(15) HD2 PRO 81 - QG2 ILE 129 far 6 57 10 - 5.1-7.6 HA LYS 86 - QG2 ILE 129 far 3 51 5 - 5.1-6.5 HA ALA 46 - QG2 ILE 129 far 0 36 0 - 5.7-8.4 HB2 SER 50 - QG2 ILE 129 far 0 33 0 - 7.6-11.1 HA LEU 123 - QG2 ILE 129 far 0 51 0 - 8.3-9.4 HA GLU 40 - QG2 ILE 129 far 0 40 0 - 8.4-10.3 HB3 SER 50 - QG2 ILE 129 far 0 49 0 - 8.4-11.1 HA2 GLY 2 - QG2 ILE 129 far 0 40 0 - 8.7-59.1 HA GLU 40 - QG2 ILE 80 far 0 68 0 - 8.7-13.2 HA LEU 70 - QG2 ILE 80 far 0 93 0 - 8.8-13.0 HA3 GLY 2 - QG2 ILE 129 far 0 40 0 - 8.9-59.5 HA2 GLY 2 - QG2 ILE 80 far 0 68 0 - 9.1-58.8 Violated in 0 structures by 0.00 A. Peak 11172 from cnoeabs.peaks (2.82, 0.81, 17.22 ppm; 4.18 A): 1 out of 4 assignments used, quality = 0.95: HB3 ASN 85 + QG2 ILE 80 OK 95 100 95 100 2.5-5.7 1.8/11237=94, 9793=56...(25) HB3 ASN 85 - QG2 ILE 129 poor 14 69 20 - 4.6-8.0 HB3 ASP 47 - QG2 ILE 129 far 0 45 0 - 8.5-11.5 HB3 ASP 71 - QG2 ILE 129 far 0 69 0 - 8.6-10.3 Violated in 7 structures by 0.20 A. Peak 11173 from cnoeabs.peaks (2.69, 0.81, 17.22 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.78: HB2 ASN 85 + QG2 ILE 80 OK 78 98 80 100 3.6-6.5 1.8/11236=92, 9791=47...(22) HB2 ASN 85 - QG2 ILE 129 far 3 65 5 - 5.4-7.2 Violated in 15 structures by 0.67 A. Peak 11174 from cnoeabs.peaks (1.94, 0.81, 17.22 ppm; 4.92 A): 2 out of 12 assignments used, quality = 1.00: HB3 PRO 81 + QG2 ILE 80 OK 99 99 100 100 4.0-6.4 2.3/9735=56, ~11265=50...(46) HB3 LYS 86 + QG2 ILE 80 OK 87 87 100 100 1.7-6.0 3.0/11230=53...(52) HB3 ARG 90 - QG2 ILE 80 poor 19 93 20 - 6.0-8.4 HB2 ARG 90 - QG2 ILE 80 poor 18 73 25 - 5.6-8.0 HB2 ARG 90 - QG2 ILE 129 poor 13 44 30 - 5.9-7.6 HB3 ARG 90 - QG2 ILE 129 far 3 60 5 - 6.0-7.8 HB2 MET 11 - QG2 ILE 80 far 0 93 0 - 7.0-40.3 HB3 LYS 86 - QG2 ILE 129 far 0 54 0 - 7.1-8.9 HB2 LYS 95 - QG2 ILE 129 far 0 70 0 - 7.2-9.0 HB3 PRO 81 - QG2 ILE 129 far 0 66 0 - 7.7-10.9 HB3 LYS 95 - QG2 ILE 129 far 0 69 0 - 8.4-10.1 HB3 LEU 49 - QG2 ILE 129 far 0 49 0 - 9.2-11.6 Violated in 2 structures by 0.03 A. Peak 11175 from cnoeabs.peaks (1.66, 0.81, 17.22 ppm; 4.55 A): 3 out of 19 assignments used, quality = 1.00: HD2 LYS 86 + QG2 ILE 80 OK 95 100 95 100 2.3-6.3 3.0/11243=64...(64) HD3 LYS 86 + QG2 ILE 80 OK 90 100 90 100 2.0-6.5 3.0/11243=64...(64) QB ALA 88 + QG2 ILE 129 OK 62 69 90 100 4.5-6.4 9862=100, 10533/10531=20...(19) HG3 ARG 84 - QG2 ILE 80 poor 20 65 30 - 5.3-9.8 HG2 ARG 84 - QG2 ILE 80 poor 16 65 25 - 4.7-9.9 HB2 LEU 69 - QG2 ILE 129 far 10 68 15 - 5.2-8.3 QB ALA 88 - QG2 ILE 80 far 10 100 10 - 5.9-6.6 HG LEU 43 - QG2 ILE 129 far 0 49 0 - 6.1-8.1 HG LEU 43 - QG2 ILE 80 far 0 81 0 - 6.9-11.8 HD2 LYS 36 - QG2 ILE 129 far 0 68 0 - 7.0-13.5 HD2 LYS 39 - QG2 ILE 80 far 0 93 0 - 7.0-11.5 HD2 LYS 95 - QG2 ILE 129 far 0 64 0 - 7.3-11.4 HD3 LYS 95 - QG2 ILE 129 far 0 68 0 - 7.5-10.3 HD3 LYS 86 - QG2 ILE 129 far 0 68 0 - 7.8-9.7 HD3 LYS 36 - QG2 ILE 129 far 0 68 0 - 7.9-14.7 HD2 LYS 86 - QG2 ILE 129 far 0 68 0 - 8.1-9.7 HG3 ARG 84 - QG2 ILE 129 far 0 38 0 - 8.4-12.0 HG2 ARG 84 - QG2 ILE 129 far 0 38 0 - 8.8-12.2 HD2 LYS 39 - QG2 ILE 129 far 0 60 0 - 9.0-11.1 Violated in 3 structures by 0.04 A. Peak 11176 from cnoeabs.peaks (1.40, 0.81, 17.22 ppm; 4.70 A): 5 out of 18 assignments used, quality = 0.98: HG2 LYS 86 + QG2 ILE 80 OK 90 90 100 100 1.9-4.5 9713/2.1=66...(48) QB ALA 92 + QG2 ILE 129 OK 42 42 100 100 3.1-4.2 10491/4163=68, 9946=50...(38) HG LEU 96 + QG2 ILE 129 OK 36 67 55 98 5.3-7.4 11919/3.0=37, ~11354=29...(35) HB2 LEU 96 + QG2 ILE 129 OK 30 44 70 99 5.2-7.3 ~11354=37, ~11454=32...(34) HB2 LEU 42 + QG2 ILE 129 OK 25 40 65 94 4.8-6.9 3.1/10486=61, ~9086=43...(12) QB ALA 34 - QG2 ILE 80 far 14 93 15 - 5.5-15.4 QB ALA 34 - QG2 ILE 129 far 9 60 15 - 5.9-12.6 HB2 LEU 42 - QG2 ILE 80 far 0 68 0 - 6.3-11.6 QB ALA 92 - QG2 ILE 80 far 0 71 0 - 6.3-8.7 HG2 LYS 86 - QG2 ILE 129 far 0 57 0 - 6.5-8.4 HG2 LYS 95 - QG2 ILE 129 far 0 55 0 - 6.9-10.9 HG3 LYS 95 - QG2 ILE 129 far 0 52 0 - 7.2-11.4 QB ALA 29 - QG2 ILE 129 far 0 44 0 - 8.2-13.5 HG2 LYS 36 - QG2 ILE 129 far 0 44 0 - 8.2-15.1 HB3 LEU 100 - QG2 ILE 129 far 0 42 0 - 9.3-11.5 HG LEU 96 - QG2 ILE 80 far 0 99 0 - 9.7-14.2 QB ALA 28 - QG2 ILE 129 far 0 49 0 - 9.8-16.5 HB2 LEU 96 - QG2 ILE 80 far 0 73 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 11177 from cnoeabs.peaks (4.05, 0.81, 17.22 ppm; 4.84 A): 2 out of 14 assignments used, quality = 0.98: HD3 PRO 81 + QG2 ILE 80 OK 96 96 100 100 2.3-3.9 4.0=100 HA ALA 92 + QG2 ILE 129 OK 45 69 65 100 5.6-6.9 2.1/9946=82...(34) HD3 PRO 81 - QG2 ILE 129 poor 12 62 20 - 5.7-8.1 HB2 SER 74 - QG2 ILE 129 far 5 54 10 - 6.2-7.9 HB3 SER 74 - QG2 ILE 129 far 3 52 5 - 6.3-8.3 HA LEU 96 - QG2 ILE 129 far 0 66 0 - 6.9-8.9 HA ILE 37 - QG2 ILE 129 far 0 35 0 - 7.3-12.8 HB3 SER 74 - QG2 ILE 80 far 0 85 0 - 7.8-12.1 HB2 SER 74 - QG2 ILE 80 far 0 87 0 - 7.8-11.8 HA LEU 122 - QG2 ILE 129 far 0 70 0 - 7.9-9.6 HA ILE 37 - QG2 ILE 80 far 0 60 0 - 8.3-15.6 HA GLU 44 - QG2 ILE 129 far 0 69 0 - 8.8-10.8 HA ALA 92 - QG2 ILE 80 far 0 100 0 - 9.1-11.8 HB3 SER 124 - QG2 ILE 129 far 0 51 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 11178 from cnoeabs.peaks (4.04, 0.27, 13.24 ppm; 5.41 A): 1 out of 7 assignments used, quality = 1.00: HD3 PRO 81 + QD1 ILE 80 OK 100 100 100 100 3.4-5.3 3.8/2472=86, 4.8/7077=71...(37) HA ARG 135 - QD1 ILE 80 far 0 81 0 - 7.1-11.7 HB2 SER 74 - QD1 ILE 80 far 0 60 0 - 7.8-9.8 HA ILE 37 - QD1 ILE 80 far 0 87 0 - 8.1-14.4 HB3 SER 74 - QD1 ILE 80 far 0 57 0 - 8.1-10.1 HA ALA 92 - QD1 ILE 80 far 0 98 0 - 8.3-11.6 HB2 SER 38 - QD1 ILE 80 far 0 73 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 11179 from cnoeabs.peaks (1.33, 0.82, 16.92 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.89: QB ALA 46 + QG2 ILE 129 OK 89 92 100 97 3.3-5.7 11711/4163=72...(14) QB ALA 46 - QG2 ILE 80 far 0 58 0 - 7.1-11.9 Violated in 14 structures by 0.57 A. Peak 11180 from cnoeabs.peaks (7.87, 0.82, 16.92 ppm; 5.73 A): 3 out of 6 assignments used, quality = 0.98: H GLU 128 + QG2 ILE 129 OK 92 92 100 100 5.8-6.1 7862/4.0=78, 10441=74...(14) H ALA 88 + QG2 ILE 80 OK 55 62 95 93 5.9-7.2 7148/9753=52...(14) H ALA 88 + QG2 ILE 129 OK 37 96 40 96 6.1-8.0 3.0/9862=90...(10) H ALA 41 - QG2 ILE 129 far 0 81 0 - 8.7-10.4 H ALA 41 - QG2 ILE 80 far 0 49 0 - 9.5-14.0 H GLN 68 - QG2 ILE 129 far 0 99 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 11181 from cnoeabs.peaks (8.13, 0.27, 13.24 ppm; 5.46 A): 3 out of 3 assignments used, quality = 1.00: H PHE 87 + QD1 ILE 80 OK 89 89 100 100 4.3-6.3 3.6/9727=90, 4.6/9822=62...(22) H GLU 91 + QD1 ILE 80 OK 87 99 90 99 5.6-8.3 7230/11183=65...(19) H VAL 133 + QD1 ILE 80 OK 81 96 85 100 3.9-8.4 4251/10588=83...(28) Violated in 1 structures by 0.00 A. Peak 11182 from cnoeabs.peaks (8.35, 0.27, 13.24 ppm; 5.60 A): 1 out of 3 assignments used, quality = 0.99: H LYS 86 + QD1 ILE 80 OK 99 99 100 100 2.5-5.1 2.9/9727=98, 4.5/9720=76...(27) H TYR 72 - QD1 ILE 80 far 0 68 0 - 8.8-11.3 H GLU 44 - QD1 ILE 80 far 0 92 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 11183 from cnoeabs.peaks (8.56, 0.27, 13.24 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.99: H ARG 90 + QD1 ILE 80 OK 99 99 100 100 3.4-6.1 7213/9747=67...(25) Violated in 1 structures by 0.05 A. Peak 11184 from cnoeabs.peaks (8.66, 0.27, 13.24 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.68: H PHE 89 + QD1 ILE 80 OK 68 68 100 100 3.5-6.4 4.2/9747=71...(23) H LYS 39 - QD1 ILE 80 far 0 68 0 - 7.2-11.3 Violated in 2 structures by 0.07 A. Peak 11185 from cnoeabs.peaks (0.81, 4.04, 51.18 ppm; 4.34 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HD3 PRO 81 OK 100 100 100 100 2.3-3.9 4.0=100 HG13 ILE 80 + HD3 PRO 81 OK 95 96 100 100 1.9-5.5 2.1/11178=49, ~11248=38...(36) QG1 VAL 133 + HD3 PRO 81 OK 59 71 90 93 3.8-6.2 ~11757=51, 10253/1.8=21...(17) QG2 ILE 129 - HD3 PRO 81 far 5 97 5 - 5.7-8.1 Violated in 0 structures by 0.00 A. Peak 11186 from cnoeabs.peaks (0.81, 3.85, 51.18 ppm; 4.14 A): 3 out of 10 assignments used, quality = 1.00: QG2 ILE 80 + HD2 PRO 81 OK 100 100 100 100 1.8-3.5 4.0=100 HG13 ILE 80 + HD2 PRO 81 OK 95 96 100 100 1.5-4.4 4.1/2478=53...(37) QG1 VAL 133 + HD2 PRO 81 OK 55 71 90 86 3.4-6.0 2.1/11757=47...(16) QG2 ILE 129 - HD2 PRO 81 far 15 97 15 - 5.1-7.6 QD2 LEU 119 - HD2 PRO 117 far 8 84 10 - 4.1-8.2 QD2 LEU 122 - HD2 PRO 117 far 0 58 0 - 7.0-11.1 QD1 LEU 122 - HD2 PRO 117 far 0 89 0 - 7.2-10.9 QD2 LEU 22 - HD2 PRO 117 far 0 46 0 - 7.5-35.1 QD1 LEU 53 - HD2 PRO 117 far 0 73 0 - 8.4-13.9 QG1 VAL 63 - HD2 PRO 117 far 0 49 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 11189 from cnoeabs.peaks (7.55, 4.04, 51.18 ppm; 5.72 A): 1 out of 2 assignments used, quality = 0.99: H GLN 82 + HD3 PRO 81 OK 99 99 100 100 2.7-5.3 11914/2.3=96...(7) H VAL 77 - HD3 PRO 81 far 0 99 0 - 7.3-9.8 Violated in 0 structures by 0.00 A. Peak 11190 from cnoeabs.peaks (7.54, 3.85, 51.18 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.98: H GLN 82 + HD2 PRO 81 OK 88 89 100 99 2.7-5.2 11914/2.3=86...(7) H LEU 119 + HD2 PRO 117 OK 84 90 95 99 5.0-6.7 7643/7637=63...(11) H VAL 77 - HD2 PRO 81 far 0 100 0 - 6.9-9.1 Violated in 0 structures by 0.00 A. Peak 11191 from cnoeabs.peaks (1.95, 4.04, 51.18 ppm; 4.48 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 81 + HD3 PRO 81 OK 100 100 100 100 3.0-4.0 3.0=100 HB3 LYS 86 - HD3 PRO 81 far 5 98 5 - 5.7-9.1 HB ILE 37 - HD3 PRO 81 far 0 78 0 - 8.1-17.1 HB2 MET 11 - HD3 PRO 81 far 0 76 0 - 9.2-47.7 Violated in 0 structures by 0.00 A. Peak 11192 from cnoeabs.peaks (2.25, 4.04, 51.18 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 81 + HD3 PRO 81 OK 100 100 100 100 3.0-3.9 3.0=100 HB VAL 132 - HD3 PRO 81 poor 18 71 25 - 4.2-8.8 Violated in 0 structures by 0.00 A. Peak 11193 from cnoeabs.peaks (1.95, 3.85, 51.18 ppm; 4.52 A): 1 out of 7 assignments used, quality = 1.00: * HB3 PRO 81 + HD2 PRO 81 OK 100 100 100 100 3.9-4.0 3.0=100 HB3 LYS 86 - HD2 PRO 81 poor 20 98 20 - 4.1-8.5 HG2 PRO 113 - HD2 PRO 117 far 0 80 0 - 7.0-12.5 HB3 ARG 90 - HD2 PRO 81 far 0 100 0 - 8.7-11.9 HB ILE 37 - HD2 PRO 81 far 0 78 0 - 9.3-16.2 HB2 MET 11 - HD2 PRO 81 far 0 76 0 - 9.6-47.9 HB3 LYS 95 - HD2 PRO 117 far 0 89 0 - 9.7-15.2 Violated in 0 structures by 0.00 A. Peak 11194 from cnoeabs.peaks (2.25, 3.85, 51.18 ppm; 4.91 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 81 + HD2 PRO 81 OK 100 100 100 100 3.0-4.0 3.0=100 HB VAL 132 - HD2 PRO 81 poor 17 71 55 45 4.6-7.4 10532/4.0=12, ~10144=7...(9) HB3 PRO 113 - HD2 PRO 117 far 4 71 5 - 6.0-12.2 HB3 GLU 102 - HD2 PRO 117 far 0 56 0 - 7.7-11.8 Violated in 0 structures by 0.00 A. Peak 11195 from cnoeabs.peaks (0.83, 2.05, 27.30 ppm; 5.13 A): 4 out of 17 assignments used, quality = 1.00: HG13 ILE 80 + HG3 PRO 81 OK 95 100 95 100 3.9-6.9 2.1/11226=66...(36) QG2 ILE 80 + HG3 PRO 81 OK 94 94 100 100 3.1-5.0 3.2/11784=60...(45) QG1 VAL 133 + HG3 PRO 81 OK 87 97 90 100 3.9-7.4 ~11757=62...(30) QG1 VAL 133 + HG3 ARG 135 OK 56 61 95 97 4.7-7.2 ~10571=40, 10574=37...(20) QG2 ILE 129 - HG3 PRO 81 far 15 100 15 - 5.9-9.2 QG2 ILE 80 - HG3 ARG 135 poor 11 57 20 - 5.8-8.4 QD2 LEU 119 - HG3 PRO 113 far 8 51 15 - 4.3-12.2 QD2 LEU 119 - HG3 PRO 117 far 7 68 10 - 5.5-9.1 QD2 LEU 119 - HG2 PRO 117 far 7 67 10 - 5.0-9.2 HG13 ILE 80 - HG3 ARG 135 far 7 65 10 - 6.3-11.6 QD1 LEU 122 - HG2 PRO 117 far 0 82 0 - 6.8-10.8 QG2 ILE 129 - HG3 ARG 135 far 0 64 0 - 6.9-9.6 QD1 LEU 122 - HG3 PRO 117 far 0 83 0 - 7.0-10.7 QD1 LEU 122 - HG3 PRO 113 far 0 63 0 - 7.2-15.3 QD2 LEU 22 - HG2 PRO 117 far 0 91 0 - 8.3-34.7 QD2 LEU 22 - HG3 PRO 117 far 0 92 0 - 8.8-35.9 QD1 LEU 70 - HG2 PRO 117 far 0 98 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 11210 from cnoeabs.peaks (4.60, 2.45, 33.62 ppm; 3.36 A): 2 out of 5 assignments used, quality = 0.98: * HA GLN 82 + HG3 GLN 82 OK 88 100 100 88 2.0-3.8 4.1=55, 11299/1.8=36...(11) HA GLN 82 + HG2 GLN 82 OK 82 94 100 88 2.6-4.1 4.1=55, 11299/1.8=36...(10) HA VAL 57 - HG2 GLU 55 far 0 63 0 - 5.0-8.7 HA HIS 3 - HG2 GLN 82 far 0 84 0 - 6.0-78.9 HA HIS 3 - HG3 GLN 82 far 0 93 0 - 6.6-77.6 Violated in 0 structures by 0.00 A. Peak 11211 from cnoeabs.peaks (4.60, 2.20, 28.77 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 3 - HB2 GLN 82 far 0 93 0 - 8.2-76.9 Violated in 0 structures by 0.00 A. Peak 11213 from cnoeabs.peaks (4.60, 2.09, 28.77 ppm; 4.92 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 82 + HB3 GLN 82 OK 100 100 100 100 2.2-3.0 3.0=100 HA VAL 57 + HB3 GLN 61 OK 44 80 55 100 4.6-7.4 3.2/9378=67, ~10936=41...(32) HA VAL 57 - HB2 GLN 61 far 13 85 15 - 5.4-7.9 HA HIS 3 - HB3 GLN 82 far 0 93 0 - 7.4-77.5 HA HIS 3 - HB2 GLU 128 far 0 45 0 - 9.4-73.8 Violated in 0 structures by 0.00 A. Peak 11214 from cnoeabs.peaks (2.43, 2.20, 28.77 ppm; 3.59 A): 4 out of 4 assignments used, quality = 1.00: HG2 GLN 82 + HB2 GLN 82 OK 97 97 100 100 2.2-3.0 2.9=100 HG3 GLN 82 + HB2 GLN 82 OK 83 83 100 100 2.5-3.0 2.9=100 HG3 GLU 97 + HB3 GLU 97 OK 73 73 100 100 2.4-2.9 2.9=100 HG2 GLN 101 + HB3 GLU 97 OK 70 75 95 98 1.9-5.1 1.8/3316=31, 2.9/3298=31...(28) Violated in 0 structures by 0.00 A. Peak 11215 from cnoeabs.peaks (2.43, 2.09, 28.77 ppm; 3.85 A): 6 out of 9 assignments used, quality = 1.00: HG2 GLN 82 + HB3 GLN 82 OK 97 97 100 100 2.2-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 83 83 100 100 2.4-3.0 2.9=100 HG3 GLN 61 + HB2 GLN 61 OK 74 74 100 100 2.4-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 68 68 100 100 2.3-3.0 3.0=100 HG3 GLU 128 + HB2 GLU 128 OK 51 51 100 100 2.2-3.0 3.0=100 HG2 GLN 101 + HB2 GLU 102 OK 37 79 55 85 3.1-6.2 7450/7455=44...(17) HB3 PRO 58 - HB3 GLN 61 poor 19 65 30 - 4.3-8.5 HB3 PRO 58 - HB2 GLN 61 far 0 70 0 - 5.7-8.2 HG3 GLU 97 - HB2 GLU 102 far 0 77 0 - 8.3-11.0 Violated in 0 structures by 0.00 A. Peak 11216 from cnoeabs.peaks (2.20, 2.20, 28.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 82 + HB2 GLN 82 OK 100 100 - 100 HB3 GLU 97 + HB3 GLU 97 OK 67 67 - 100 Peak 11217 from cnoeabs.peaks (2.10, 2.20, 28.77 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: HB3 GLN 82 + HB2 GLN 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 102 - HB3 GLU 97 far 0 66 0 - 6.8-9.0 HB3 LYS 39 - HB2 GLN 82 far 0 87 0 - 7.5-16.2 HB VAL 126 - HB3 GLU 97 far 0 74 0 - 7.6-12.4 HG3 GLN 134 - HB2 GLN 82 far 0 92 0 - 8.4-15.8 Violated in 0 structures by 0.00 A. Peak 11218 from cnoeabs.peaks (2.20, 2.09, 28.77 ppm; 3.18 A): 3 out of 14 assignments used, quality = 1.00: HB2 GLN 82 + HB3 GLN 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 102 + HB2 GLU 102 OK 46 46 100 100 1.8-1.8 1.8=100 HB3 GLU 128 + HB2 GLU 128 OK 34 34 100 100 1.8-1.8 1.8=100 HB3 GLN 127 - HB2 GLU 128 far 3 32 10 - 4.2-7.4 HB2 GLN 101 - HB2 GLU 102 far 0 81 0 - 5.1-7.0 HG2 GLU 91 - HB2 GLU 128 far 0 31 0 - 6.3-11.3 HB3 GLN 104 - HB2 GLU 102 far 0 61 0 - 6.4-9.5 HB2 GLN 104 - HB2 GLU 102 far 0 72 0 - 6.4-8.8 HB3 GLU 97 - HB2 GLU 102 far 0 71 0 - 6.8-9.0 HB VAL 133 - HB3 GLN 82 far 0 96 0 - 7.6-12.3 HB2 GLN 68 - HB2 GLN 61 far 0 72 0 - 8.8-11.1 HB VAL 133 - HB2 GLU 128 far 0 47 0 - 9.1-11.9 HG2 GLN 68 - HB2 GLN 61 far 0 46 0 - 9.3-11.9 HB2 GLN 68 - HB3 GLN 61 far 0 67 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 11219 from cnoeabs.peaks (2.09, 2.09, 28.77 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLN 82 + HB3 GLN 82 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 85 85 - 100 HB3 GLN 61 + HB3 GLN 61 OK 78 78 - 100 HB2 GLU 102 + HB2 GLU 102 OK 76 76 - 100 HB2 GLU 128 + HB2 GLU 128 OK 48 48 - 100 Peak 11223 from cnoeabs.peaks (8.88, 2.45, 33.62 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.95: * H THR 83 + HG3 GLN 82 OK 79 100 100 79 2.8-4.8 3.6/11287=37...(8) H THR 83 + HG2 GLN 82 OK 74 94 100 79 3.4-5.4 3.6/11287=36...(8) Violated in 2 structures by 0.01 A. Peak 11224 from cnoeabs.peaks (8.88, 2.09, 28.77 ppm; 5.63 A): 2 out of 5 assignments used, quality = 1.00: * H THR 83 + HB3 GLN 82 OK 100 100 100 100 2.4-4.2 4.5=100 H ASN 59 + HB3 GLN 61 OK 49 75 85 77 5.4-8.2 6722/4.0=33, 6722/4.6=29...(9) H GLY 66 - HB2 GLN 61 poor 17 68 25 - 6.6-8.2 H ASN 59 - HB2 GLN 61 far 8 81 10 - 7.0-8.0 H GLY 66 - HB3 GLN 61 far 0 63 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 11225 from cnoeabs.peaks (8.88, 2.20, 28.77 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * H THR 83 + HB2 GLN 82 OK 100 100 100 100 2.3-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 11226 from cnoeabs.peaks (7.25, 2.45, 33.62 ppm; 3.87 A): 3 out of 8 assignments used, quality = 0.96: HD21 ASN 85 + HG3 GLN 82 OK 74 99 75 99 3.4-6.3 9797/2.9=37, 9798/2.9=37...(23) HD21 ASN 85 + HG2 GLN 82 OK 69 92 75 99 2.7-6.4 9797/2.9=37, 9798/2.9=37...(24) H ASN 85 + HG2 GLN 82 OK 54 81 80 83 2.3-6.2 11276/2.9=30...(13) H ASN 85 - HG3 GLN 82 poor 18 90 20 - 1.8-6.3 HE ARG 84 - HG2 GLN 82 far 14 94 15 - 5.0-9.8 HE ARG 84 - HG3 GLN 82 far 5 100 5 - 4.7-10.6 QE PHE 87 - HG3 GLN 82 far 0 87 0 - 7.8-14.1 QE PHE 87 - HG2 GLN 82 far 0 77 0 - 9.1-14.0 Violated in 9 structures by 0.28 A. Peak 11227 from cnoeabs.peaks (7.55, 2.45, 33.62 ppm; 3.53 A): 3 out of 6 assignments used, quality = 0.99: H GLN 82 + HG3 GLN 82 OK 89 100 100 89 1.9-4.1 5.1=33, 3.0/11287=31...(12) H GLN 82 + HG2 GLN 82 OK 83 94 100 88 2.0-4.6 5.1=33, 3.0/11287=30...(13) H THR 54 + HG2 GLU 55 OK 39 64 70 87 3.3-5.7 6687/6694=39, 9268=32...(8) HE22 GLN 61 - HG2 GLU 55 far 0 63 0 - 5.9-10.5 HE22 GLN 27 - HG2 GLU 55 far 0 48 0 - 8.6-32.8 H LEU 119 - HG2 GLU 55 far 0 59 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 11228 from cnoeabs.peaks (8.98, 2.09, 28.77 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.99: H ARG 84 + HB3 GLN 82 OK 99 99 100 100 2.4-4.8 9778/1.8=93...(9) Violated in 0 structures by 0.00 A. Peak 11229 from cnoeabs.peaks (8.99, 2.20, 28.77 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: H ARG 84 + HB2 GLN 82 OK 100 100 100 100 2.6-5.1 9778=96, 11198/1.8=91...(13) Violated in 0 structures by 0.00 A. Peak 11230 from cnoeabs.peaks (9.00, 2.45, 33.62 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: H ARG 84 + HG3 GLN 82 OK 97 97 100 100 2.1-6.1 9778/2.9=75...(13) H ARG 84 + HG2 GLN 82 OK 89 89 100 100 3.4-6.1 9778/2.9=75...(14) Violated in 8 structures by 0.12 A. Peak 11231 from cnoeabs.peaks (7.87, 2.09, 28.77 ppm; 4.41 A): 3 out of 6 assignments used, quality = 0.85: H GLU 102 + HB2 GLU 102 OK 68 68 100 100 2.2-3.7 3.8=100 H GLU 128 + HB2 GLU 128 OK 41 41 100 100 2.1-3.5 3.6=100 H GLN 104 + HB2 GLU 102 OK 23 42 70 76 5.1-6.3 4.6/7468=35, 7484/3.0=35...(6) H ALA 88 - HB3 GLN 82 far 0 98 0 - 7.5-10.2 H ALA 88 - HB2 GLU 128 far 0 50 0 - 7.7-11.5 H GLN 68 - HB2 GLN 61 far 0 87 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 11232 from cnoeabs.peaks (8.09, 2.09, 28.77 ppm; 4.64 A): 2 out of 17 assignments used, quality = 0.97: HD22 ASN 85 + HB3 GLN 82 OK 88 97 90 100 1.9-7.3 9805=94, 11238/1.8=77...(18) H LEU 103 + HB2 GLU 102 OK 76 76 100 100 2.8-4.3 4.6=100 H ALA 109 - HB2 GLU 102 far 12 77 15 - 5.5-16.2 H ALA 108 - HB2 GLU 102 lone 4 75 30 17 3.0-13.2 11485/11456=12, 3347/1.8=4 H THR 25 - HB3 GLN 61 far 0 75 0 - 6.3-25.5 H THR 25 - HB2 GLN 61 far 0 81 0 - 6.3-25.8 H PHE 87 - HB3 GLN 82 far 0 73 0 - 6.5-8.5 H VAL 20 - HB2 GLN 61 far 0 46 0 - 7.0-30.5 H VAL 20 - HB3 GLN 61 far 0 42 0 - 7.0-31.2 H ALA 109 - HB3 GLN 61 far 0 78 0 - 7.2-19.2 H VAL 20 - HB2 GLU 102 far 0 42 0 - 7.8-44.1 H ALA 108 - HB3 GLN 61 far 0 75 0 - 8.5-18.9 H ALA 109 - HB2 GLN 61 far 0 83 0 - 8.7-19.8 HD22 ASN 85 - HB2 GLU 128 far 0 49 0 - 9.1-15.6 H ALA 108 - HB2 GLN 61 far 0 81 0 - 9.5-19.3 H ASN 121 - HB2 GLU 102 far 0 42 0 - 9.6-13.0 H THR 25 - HB2 GLU 102 far 0 75 0 - 9.7-33.2 Violated in 0 structures by 0.00 A. Peak 11233 from cnoeabs.peaks (7.54, 2.09, 28.77 ppm; 5.12 A): 3 out of 8 assignments used, quality = 0.99: H GLN 82 + HB3 GLN 82 OK 90 90 100 100 2.1-3.9 4.0=100 HE22 GLN 61 + HB2 GLN 61 OK 66 66 100 100 1.9-4.6 4.4=100 HE22 GLN 61 + HB3 GLN 61 OK 61 61 100 100 2.2-5.4 4.4=100 HE22 GLN 27 - HB2 GLU 102 far 4 80 5 - 6.2-30.8 HE22 GLN 27 - HB3 GLN 61 far 0 81 0 - 7.4-26.4 HE22 GLN 27 - HB2 GLN 61 far 0 86 0 - 7.9-25.8 H LEU 119 - HB2 GLU 102 far 0 81 0 - 9.0-12.4 H THR 54 - HB2 GLN 61 far 0 82 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 11234 from cnoeabs.peaks (7.28, 2.09, 28.77 ppm; 4.44 A): 1 out of 8 assignments used, quality = 0.92: H ASN 85 + HB3 GLN 82 OK 92 96 100 97 2.4-5.2 11276=54, 11277/1.8=52...(9) HE ARG 84 - HB3 GLN 82 poor 19 63 30 - 2.1-9.7 H ARG 135 - HB3 GLN 82 far 0 63 0 - 6.1-12.6 QE PHE 87 - HB3 GLN 82 far 0 97 0 - 8.3-12.8 HZ PHE 89 - HB2 GLU 128 far 0 37 0 - 9.4-11.5 H ARG 135 - HB2 GLU 128 far 0 27 0 - 9.6-11.4 QE PHE 87 - HB2 GLU 128 far 0 49 0 - 9.7-16.1 HE ARG 84 - HB2 GLU 128 far 0 27 0 - 9.7-15.5 Violated in 2 structures by 0.05 A. Peak 11235 from cnoeabs.peaks (7.27, 2.20, 28.77 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: H ASN 85 + HB2 GLN 82 OK 99 100 100 99 2.6-4.5 11234/1.8=76, 11277=62...(15) HD21 ASN 85 + HB2 GLN 82 OK 73 73 100 100 2.1-5.2 1.7/11238=76, ~9805=62...(19) HE ARG 84 - HB2 GLN 82 poor 8 87 25 36 3.4-8.7 6.7/9778=27, 5.1/11364=5...(5) QE PHE 87 - HB2 GLN 82 far 0 100 0 - 8.5-13.2 Violated in 0 structures by 0.00 A. Peak 11236 from cnoeabs.peaks (7.56, 2.20, 28.77 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: H GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.1-3.8 4.0=100 HE22 GLN 27 - HB3 GLU 97 far 2 45 5 - 5.5-28.3 Violated in 0 structures by 0.00 A. Peak 11237 from cnoeabs.peaks (7.87, 2.20, 28.77 ppm; 4.24 A): 1 out of 5 assignments used, quality = 0.38: H GLU 102 + HB3 GLU 97 OK 38 51 85 87 4.6-7.6 3.1/7417=36, 4.7/3298=25...(17) H GLN 104 - HB3 GLU 97 far 0 53 0 - 7.0-9.5 H SER 106 - HB3 GLU 97 far 0 50 0 - 7.2-13.5 H ALA 88 - HB2 GLN 82 far 0 90 0 - 7.9-9.7 H GLN 68 - HB3 GLU 97 far 0 72 0 - 9.9-12.2 Violated in 20 structures by 0.94 A. Peak 11238 from cnoeabs.peaks (8.10, 2.20, 28.77 ppm; 4.69 A): 1 out of 5 assignments used, quality = 0.88: HD22 ASN 85 + HB2 GLN 82 OK 88 93 95 100 1.9-6.9 9805/1.8=78, 1.7/9797=63...(16) H LEU 103 - HB3 GLU 97 far 0 67 0 - 6.5-9.4 H PHE 87 - HB2 GLN 82 far 0 83 0 - 6.6-8.6 H ALA 108 - HB3 GLU 97 far 0 66 0 - 8.0-17.0 H THR 25 - HB3 GLU 97 far 0 75 0 - 8.9-27.8 Violated in 3 structures by 0.16 A. Peak 11239 from cnoeabs.peaks (8.09, 2.45, 33.62 ppm; 4.21 A): 2 out of 5 assignments used, quality = 0.98: HD22 ASN 85 + HG3 GLN 82 OK 90 100 90 100 1.8-6.3 9805/2.9=60...(20) HD22 ASN 85 + HG2 GLN 82 OK 84 94 90 100 1.9-6.6 9805/2.9=60...(21) H VAL 20 - HG2 GLU 55 far 0 43 0 - 7.8-35.9 H THR 25 - HG2 GLU 55 far 0 50 0 - 8.9-30.7 H ASN 120 - HG2 GLU 55 far 0 61 0 - 9.2-15.5 Violated in 6 structures by 0.18 A. Peak 11240 from cnoeabs.peaks (8.11, 1.24, 22.04 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.99: H PHE 87 + QG2 THR 83 OK 99 99 100 100 3.0-4.4 4.2/9776=75...(14) HD22 ASN 85 - QG2 THR 83 poor 13 63 20 - 6.0-8.6 H GLU 91 - QG2 THR 83 far 0 92 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 11241 from cnoeabs.peaks (8.34, 1.24, 22.04 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.99: H LYS 86 + QG2 THR 83 OK 99 100 100 99 3.8-4.5 4.0/11312=68...(13) Violated in 0 structures by 0.00 A. Peak 11242 from cnoeabs.peaks (4.60, 4.60, 55.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 82 + HA GLN 82 OK 100 100 - 100 HA HIS 3 + HA HIS 3 OK 39 39 - 100 Peak 11243 from cnoeabs.peaks (2.44, 4.60, 55.56 ppm; 3.52 A): 2 out of 5 assignments used, quality = 0.99: HG2 GLN 82 + HA GLN 82 OK 92 100 100 92 2.6-4.1 4.1=64, 1.8/11287=41...(11) HG3 GLN 82 + HA GLN 82 OK 91 99 100 92 2.0-3.8 4.1=64, 1.8/11287=41...(11) HG2 GLN 82 - HA HIS 3 far 0 45 0 - 6.0-78.9 HG3 GLN 82 - HA HIS 3 far 0 44 0 - 6.6-77.6 HG3 GLU 128 - HA HIS 3 far 0 30 0 - 9.9-73.3 Violated in 0 structures by 0.00 A. Peak 11244 from cnoeabs.peaks (2.20, 4.60, 55.56 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: HB2 GLN 82 + HA GLN 82 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 133 - HA GLN 82 far 0 96 0 - 8.1-11.8 HB2 GLN 82 - HA HIS 3 far 0 46 0 - 8.2-76.9 HB3 GLN 127 - HA HIS 3 far 0 27 0 - 8.4-71.7 HB3 GLU 128 - HA HIS 3 far 0 29 0 - 10.0-72.1 Violated in 0 structures by 0.00 A. Peak 11245 from cnoeabs.peaks (2.09, 4.60, 55.56 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: HB3 GLN 82 + HA GLN 82 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 82 - HA HIS 3 far 0 46 0 - 7.4-77.5 HG3 GLN 134 - HA HIS 3 far 0 41 0 - 8.1-74.3 HB3 LYS 39 - HA GLN 82 far 0 93 0 - 8.6-16.0 HB2 GLU 128 - HA HIS 3 far 0 40 0 - 9.4-73.8 Violated in 0 structures by 0.00 A. Peak 11252 from cnoeabs.peaks (6.96, 3.85, 51.18 ppm; 5.92 A): 1 out of 3 assignments used, quality = 0.99: H ILE 80 + HD2 PRO 81 OK 99 99 100 100 4.6-4.9 4.8=100 HE21 GLN 82 - HD2 PRO 81 far 4 71 5 - 7.4-10.6 HE21 GLN 104 - HD2 PRO 117 far 0 90 0 - 8.9-17.2 Violated in 0 structures by 0.00 A. Peak 11262 from cnoeabs.peaks (0.82, 2.45, 33.62 ppm; 4.33 A): 2 out of 13 assignments used, quality = 0.80: QG2 ILE 80 + HG3 GLN 82 OK 63 100 70 91 3.6-9.2 11310/2.9=56, 9715=35...(10) QG2 ILE 80 + HG2 GLN 82 OK 47 93 55 91 3.4-9.7 11310/2.9=56...(11) QD2 LEU 119 - HG2 GLU 55 far 7 50 15 - 4.5-15.0 HG13 ILE 80 - HG3 GLN 82 far 5 100 5 - 5.8-8.6 HG13 ILE 80 - HG2 GLN 82 far 5 93 5 - 5.4-9.3 QG1 VAL 133 - HG2 GLN 82 far 0 77 0 - 6.2-12.6 QD1 LEU 53 - HG2 GLU 55 far 0 38 0 - 6.5-9.2 QG1 VAL 133 - HG3 GLN 82 far 0 87 0 - 7.1-12.5 QD2 LEU 22 - HG2 GLU 55 far 0 42 0 - 7.8-31.2 QG2 ILE 129 - HG2 GLN 82 far 0 94 0 - 8.2-13.7 QG2 ILE 129 - HG3 GLN 82 far 0 100 0 - 8.4-13.5 QD1 LEU 122 - HG2 GLU 55 far 0 58 0 - 8.7-13.1 QD2 LEU 49 - HG2 GLU 55 far 0 43 0 - 9.1-11.9 Violated in 12 structures by 1.15 A. Peak 11263 from cnoeabs.peaks (0.82, 2.09, 28.77 ppm; 4.34 A): 2 out of 24 assignments used, quality = 0.71: QG2 ILE 80 + HB3 GLN 82 OK 59 96 70 88 3.9-8.8 11262/2.9=36...(11) QG2 ILE 129 + HB2 GLU 128 OK 29 53 55 99 5.3-6.8 10443/3.0=40, ~10013=37...(21) QD2 LEU 119 - HB3 GLN 61 far 5 51 10 - 5.3-15.6 QD2 LEU 22 - HB2 GLN 61 far 4 74 5 - 4.3-24.5 QD2 LEU 22 - HB3 GLN 61 far 3 68 5 - 4.1-25.6 QD2 LEU 119 - HB2 GLN 61 far 3 55 5 - 5.6-16.3 QG2 ILE 32 - HB2 GLN 61 far 2 46 5 - 5.8-16.6 HG13 ILE 80 - HB3 GLN 82 far 0 100 0 - 6.0-8.9 QD1 LEU 70 - HB2 GLU 102 far 0 79 0 - 6.4-10.6 QG1 VAL 133 - HB2 GLU 128 far 0 48 0 - 6.7-8.0 QG2 ILE 32 - HB3 GLN 61 far 0 42 0 - 7.0-17.3 QD1 LEU 122 - HB2 GLN 61 far 0 68 0 - 7.0-11.7 QD2 LEU 49 - HB2 GLN 61 far 0 46 0 - 7.1-10.0 QG1 VAL 133 - HB3 GLN 82 far 0 97 0 - 7.6-10.9 QD1 LEU 122 - HB3 GLN 61 far 0 63 0 - 7.7-12.6 QD1 LEU 122 - HB2 GLU 128 far 0 39 0 - 7.7-11.3 QD2 LEU 49 - HB3 GLN 61 far 0 42 0 - 7.9-11.2 QD2 LEU 49 - HB2 GLU 128 far 0 26 0 - 8.3-10.7 QD2 LEU 119 - HB2 GLU 102 far 0 51 0 - 8.6-13.0 QD1 LEU 122 - HB2 GLU 102 far 0 63 0 - 8.8-10.8 QG2 ILE 80 - HB2 GLU 128 far 0 47 0 - 8.8-12.6 QD2 LEU 22 - HB2 GLU 102 far 0 68 0 - 9.0-34.5 QD1 LEU 70 - HB2 GLU 128 far 0 51 0 - 9.0-12.8 QG2 ILE 129 - HB3 GLN 82 far 0 100 0 - 9.3-12.1 Violated in 13 structures by 0.51 A. Peak 11264 from cnoeabs.peaks (1.95, 4.60, 55.56 ppm; 4.61 A): 1 out of 4 assignments used, quality = 0.97: HB3 PRO 81 + HA GLN 82 OK 97 98 100 99 3.9-5.5 5.0=81, ~11914=42...(13) HB3 LYS 86 - HA GLN 82 poor 20 100 20 - 5.1-7.9 HG LEU 53 - HA HIS 3 far 0 34 0 - 9.0-65.8 HB2 GLU 30 - HA HIS 3 far 0 46 0 - 10.0-55.1 Violated in 2 structures by 0.08 A. Peak 11265 from cnoeabs.peaks (7.55, 2.05, 27.30 ppm; 4.77 A): 3 out of 9 assignments used, quality = 0.99: H GLN 82 + HG3 PRO 81 OK 98 98 100 100 1.9-4.4 11914/1.8=88, 11259=55...(11) H LEU 119 + HG2 PRO 117 OK 59 99 65 92 4.8-6.9 10286/3.8=50...(11) H LEU 119 + HG3 PRO 117 OK 35 100 40 89 5.1-7.4 10286/3.8=50...(10) H GLN 82 - HG3 ARG 135 far 6 61 10 - 5.6-11.2 H THR 54 - HG3 PRO 113 far 0 84 0 - 7.1-19.4 HE22 GLN 61 - HG3 PRO 113 far 0 75 0 - 7.4-19.8 HE22 GLN 27 - HG3 PRO 113 far 0 76 0 - 8.4-32.7 H LEU 119 - HG3 PRO 113 far 0 83 0 - 8.6-12.6 H VAL 77 - HG3 PRO 81 far 0 100 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 11267 from cnoeabs.peaks (1.79, 1.24, 22.04 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: HB2 LYS 86 + QG2 THR 83 OK 100 100 100 100 2.2-3.5 2624/2517=53...(24) HB2 ARG 84 + QG2 THR 83 OK 34 87 40 99 4.9-6.0 3.9/2520=50, 3.0/9782=49...(19) HB3 ARG 135 - QG2 THR 83 far 0 65 0 - 8.0-11.9 Violated in 0 structures by 0.00 A. Peak 11269 from cnoeabs.peaks (4.73, 4.25, 59.13 ppm; 6.51 A): 0 out of 0 assignments used, quality = 0.00: Peak 11272 from cnoeabs.peaks (4.16, 1.81, 29.31 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: HB THR 83 + HB2 ARG 84 OK 100 100 100 100 4.4-5.7 9758/1.8=90...(20) Violated in 9 structures by 0.16 A. Peak 11273 from cnoeabs.peaks (4.16, 1.90, 29.31 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: HB THR 83 + HB3 ARG 84 OK 100 100 100 100 4.1-5.1 7088/7092=87, 9758=80...(19) Violated in 1 structures by 0.00 A. Peak 11274 from cnoeabs.peaks (4.17, 4.25, 59.13 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: HB THR 83 + HA ARG 84 OK 100 100 100 100 3.8-4.2 7088/2.8=80, 2.1/9782=69...(20) Violated in 0 structures by 0.00 A. Peak 11275 from cnoeabs.peaks (4.01, 4.25, 59.13 ppm; 5.16 A): 0 out of 2 assignments used, quality = 0.00: HD3 PRO 81 - HA ARG 84 far 0 73 0 - 8.8-11.2 HA ARG 135 - HA ARG 84 far 0 100 0 - 9.8-14.1 Violated in 20 structures by 4.47 A. Peak 11278 from cnoeabs.peaks (1.64, 2.82, 37.63 ppm; 5.73 A): 5 out of 6 assignments used, quality = 1.00: HG3 ARG 84 + HB3 ASN 85 OK 98 100 100 98 3.3-6.8 ~11320=37, 9788/1.8=25...(26) HG2 ARG 84 + HB3 ASN 85 OK 98 100 100 98 3.7-6.9 ~11320=37, ~9788=23...(25) QB ALA 88 + HB3 ASN 85 OK 72 73 100 99 4.4-5.7 9853/1.8=62, 2750/3.0=62...(9) HD3 LYS 86 + HB3 ASN 85 OK 26 78 50 67 5.0-9.5 11241/11236=30...(9) HD2 LYS 86 + HB3 ASN 85 OK 24 78 45 69 5.9-8.8 11241/11236=34...(9) HG LEU 43 - HB3 ASN 85 far 0 99 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 11280 from cnoeabs.peaks (7.06, 3.89, 60.84 ppm; 6.70 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 89 + HA LYS 86 OK 99 99 100 100 3.7-4.3 9747/9727=99...(18) HE ARG 135 - HA LYS 86 poor 17 99 30 58 7.4-11.0 11875/11748=29...(7) Violated in 0 structures by 0.00 A. Peak 11281 from cnoeabs.peaks (8.79, 3.89, 60.84 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 11282 from cnoeabs.peaks (0.82, 1.95, 32.72 ppm; 5.09 A): 4 out of 19 assignments used, quality = 1.00: QG2 ILE 80 + HB3 LYS 86 OK 99 99 100 100 1.7-6.0 9753/7140=69...(53) QG2 ILE 80 + HB3 PRO 81 OK 86 86 100 100 4.0-6.4 9735/2.3=57, ~11265=53...(42) HG13 ILE 80 + HB3 PRO 81 OK 83 87 95 100 5.3-7.0 ~11226=44, ~11248=44...(33) HG13 ILE 80 + HB3 LYS 86 OK 70 100 70 100 1.9-6.7 2.1/9721=69, ~9822=62...(51) QG1 VAL 133 - HB3 PRO 81 poor 14 72 20 - 5.9-9.1 QD1 LEU 122 - HB3 LYS 95 far 5 36 15 - 6.1-9.7 QG1 VAL 133 - HB3 LYS 86 far 4 89 5 - 6.5-9.7 QD1 LEU 122 - HB2 LYS 95 far 3 29 10 - 5.7-9.8 QD1 LEU 70 - HB2 LYS 95 far 2 34 5 - 6.4-9.7 QD1 LEU 70 - HB3 LYS 95 far 0 42 0 - 6.6-9.9 QG2 ILE 129 - HB3 LYS 86 far 0 100 0 - 7.1-8.9 QG2 ILE 129 - HB2 LYS 95 far 0 34 0 - 7.2-9.0 QG2 ILE 129 - HB3 PRO 81 far 0 88 0 - 7.7-10.9 QG2 ILE 129 - HB3 LYS 95 far 0 41 0 - 8.4-10.1 QD2 LEU 119 - HB3 LYS 95 far 0 30 0 - 8.4-14.0 QD1 LEU 53 - HB3 LYS 95 far 0 23 0 - 8.9-12.3 QD2 LEU 49 - HB2 LYS 95 far 0 21 0 - 9.3-12.2 QD2 LEU 49 - HB3 LYS 95 far 0 26 0 - 9.8-12.1 QD2 LEU 119 - HB2 LYS 95 far 0 25 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 11283 from cnoeabs.peaks (0.82, 1.66, 29.87 ppm; 3.94 A): 4 out of 13 assignments used, quality = 0.99: QG2 ILE 80 + HD2 LYS 86 OK 78 98 80 100 2.3-6.3 11241=49, 11243/3.0=47...(54) QG2 ILE 80 + HD3 LYS 86 OK 74 98 75 100 2.0-6.5 11241=48, 11243/3.0=47...(55) HG13 ILE 80 + HD2 LYS 86 OK 60 100 60 100 2.3-7.2 ~9720=34, ~11225=32...(54) HG13 ILE 80 + HD3 LYS 86 OK 60 100 60 100 3.5-7.1 ~9720=34, ~11225=32...(54) QG1 VAL 133 - HD2 LYS 39 far 0 51 0 - 5.8-9.3 QG1 VAL 133 - HD2 LYS 86 far 0 93 0 - 6.9-10.4 QG2 ILE 80 - HD2 LYS 39 far 0 56 0 - 7.0-11.5 QG1 VAL 133 - HD3 LYS 86 far 0 93 0 - 7.1-10.4 HG13 ILE 80 - HD2 LYS 39 far 0 60 0 - 7.3-13.5 QG2 ILE 129 - HD3 LYS 86 far 0 100 0 - 7.8-9.7 QG2 ILE 129 - HD2 LYS 86 far 0 100 0 - 8.1-9.7 QG2 ILE 129 - HD2 LYS 39 far 0 60 0 - 9.0-11.1 QD2 LEU 22 - HD2 LYS 39 far 0 45 0 - 9.4-31.2 Violated in 0 structures by 0.00 A. Peak 11284 from cnoeabs.peaks (1.07, 1.66, 29.87 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.92: QG1 VAL 77 + HD3 LYS 86 OK 72 96 75 100 2.5-7.8 9650/3.0=67, 9650/3.0=67...(38) QG1 VAL 77 + HD2 LYS 86 OK 72 96 75 100 3.7-7.2 9650/3.0=67, 9650/3.0=67...(39) Violated in 7 structures by 0.38 A. Peak 11285 from cnoeabs.peaks (1.18, 1.66, 29.87 ppm; 4.14 A): 3 out of 6 assignments used, quality = 0.98: QG2 VAL 77 + HD3 LYS 86 OK 80 100 80 100 2.1-6.5 11182/3.0=73...(40) QG2 VAL 77 + HD2 LYS 86 OK 80 100 80 100 3.0-6.5 11182/3.0=73...(40) HG3 LYS 39 + HD2 LYS 39 OK 42 42 100 100 2.2-3.0 3.0=100 QB ALA 41 - HD2 LYS 39 far 3 58 5 - 5.5-7.9 QG2 THR 25 - HD2 LYS 39 far 0 56 0 - 7.9-27.6 QG2 THR 18 - HD2 LYS 39 far 0 59 0 - 9.0-37.0 Violated in 0 structures by 0.00 A. Peak 11286 from cnoeabs.peaks (1.17, 1.47, 25.00 ppm; 4.46 A): 3 out of 5 assignments used, quality = 0.97: QG2 VAL 77 + HG3 LYS 86 OK 90 95 95 100 1.8-6.0 11742/1.8=87...(33) QB ALA 41 + HG3 LYS 36 OK 52 94 80 69 3.6-8.5 10904/6407=45...(7) HG12 ILE 32 + HG3 LYS 36 OK 37 92 40 99 4.0-10.4 3.2/10901=44, ~10810=30...(65) QG2 THR 25 - HG3 LYS 36 far 4 75 5 - 5.4-21.3 QG2 THR 18 - HG3 LYS 36 far 0 94 0 - 6.8-30.5 Violated in 4 structures by 0.09 A. Peak 11287 from cnoeabs.peaks (3.75, 1.66, 29.87 ppm; 5.06 A): 2 out of 6 assignments used, quality = 1.00: HA THR 83 + HD3 LYS 86 OK 100 100 100 100 1.8-5.4 2624/3.5=73...(21) HA THR 83 + HD2 LYS 86 OK 100 100 100 100 2.0-5.2 2624/3.5=73...(22) HA VAL 133 - HD2 LYS 39 far 6 42 15 - 5.5-11.4 HA VAL 133 - HD3 LYS 86 far 0 81 0 - 7.4-10.8 HA VAL 133 - HD2 LYS 86 far 0 81 0 - 7.8-11.0 HB3 SER 130 - HD2 LYS 39 far 0 31 0 - 8.6-12.8 Violated in 0 structures by 0.00 A. Peak 11288 from cnoeabs.peaks (1.78, 4.26, 61.26 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.98: HB2 LYS 86 + HA PHE 87 OK 97 97 100 100 4.0-5.5 7156/2.9=97, ~7157=93...(21) HB2 ARG 84 + HA PHE 87 OK 35 71 50 100 7.7-8.6 ~2530=75, ~7151=42...(22) Violated in 0 structures by 0.00 A. Peak 11289 from cnoeabs.peaks (1.78, 3.23, 38.18 ppm; 5.11 A): 4 out of 4 assignments used, quality = 1.00: HB2 LYS 86 + HB3 PHE 87 OK 95 95 100 100 4.1-5.9 7156/4.0=72, 1.8/9833=42...(17) HB2 LYS 86 + HB2 PHE 87 OK 87 97 90 100 5.0-6.8 7156/4.0=72...(17) HB2 ARG 84 + HB3 PHE 87 OK 58 69 85 99 5.3-6.8 3.0/2532=39, ~2532=28...(25) HB2 ARG 84 + HB2 PHE 87 OK 42 71 60 98 5.3-7.9 3.0/2531=38, ~2532=28...(26) Violated in 0 structures by 0.00 A. Peak 11290 from cnoeabs.peaks (7.06, 1.66, 18.14 ppm; 5.34 A): 2 out of 2 assignments used, quality = 0.99: QD PHE 89 + QB ALA 88 OK 97 97 100 100 5.1-5.6 3.1/11362=85...(17) HE ARG 135 + QB ALA 88 OK 78 100 90 87 5.0-8.5 11868/9857=61...(8) Violated in 1 structures by 0.00 A. Peak 11291 from cnoeabs.peaks (6.93, 1.66, 18.14 ppm; 5.52 A): 0 out of 2 assignments used, quality = 0.00: HE21 GLN 82 - QB ALA 88 far 0 100 0 - 8.4-12.2 H ILE 80 - QB ALA 88 far 0 78 0 - 9.2-10.5 Violated in 20 structures by 3.23 A. Peak 11292 from cnoeabs.peaks (7.07, 4.20, 54.89 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 89 + HA ALA 88 OK 100 100 100 100 6.4-6.6 ~11362=84, 11359/2.1=80...(8) HZ PHE 87 + HA ALA 88 OK 41 60 70 98 5.5-9.8 3.8/9849=85, 5.8/9859=37...(7) HE ARG 135 - HA ALA 88 far 0 90 0 - 8.4-12.4 Violated in 0 structures by 0.00 A. Peak 11293 from cnoeabs.peaks (4.10, 1.66, 18.14 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.90: HA PHE 89 + QB ALA 88 OK 90 90 100 100 3.8-3.9 2.9/7195=91, 11370=83...(18) HA ILE 80 - QB ALA 88 far 0 76 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 11294 from cnoeabs.peaks (3.23, 1.66, 18.14 ppm; 4.25 A): 3 out of 5 assignments used, quality = 1.00: HB3 PHE 87 + QB ALA 88 OK 100 100 100 100 3.5-5.3 4.5/7185=58, 9834=46...(23) HB2 PHE 87 + QB ALA 88 OK 99 100 100 100 3.6-5.2 4.5/7185=58, 9834=47...(23) HD3 ARG 135 + QB ALA 88 OK 25 100 35 73 4.5-7.5 10635/9857=35...(6) HB3 CYS 125 - QB ALA 88 far 0 57 0 - 7.3-10.7 HA VAL 93 - QB ALA 88 far 0 90 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 11295 from cnoeabs.peaks (8.55, 1.66, 18.14 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.93: H ARG 90 + QB ALA 88 OK 93 93 100 100 4.6-5.0 4.1/7195=86...(19) Violated in 0 structures by 0.00 A. Peak 11296 from cnoeabs.peaks (7.98, 3.79, 59.97 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.96: H SER 94 + HA ARG 90 OK 96 96 100 100 3.8-4.9 7275=93, 7281/2793=83...(12) H ILE 129 - HA ARG 90 far 0 76 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 11297 from cnoeabs.peaks (8.44, 3.79, 59.97 ppm; 5.30 A): 2 out of 2 assignments used, quality = 1.00: H VAL 93 + HA ARG 90 OK 100 100 100 100 3.2-3.6 7262=100, 7270/9953=89...(14) H SER 74 + HA ARG 90 OK 24 57 50 85 6.5-7.6 2918/9953=35...(11) Violated in 0 structures by 0.00 A. Peak 11298 from cnoeabs.peaks (7.33, 1.91, 29.98 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.99: HE ARG 90 + HB2 ARG 90 OK 93 93 100 100 2.3-4.0 4.8=100 QD PHE 87 + HB2 ARG 90 OK 82 85 100 96 5.3-7.1 3.7/2723=80, 9919/4.4=28...(11) Violated in 0 structures by 0.00 A. Peak 11301 from cnoeabs.peaks (8.68, 1.73, 28.15 ppm; 6.32 A): 1 out of 1 assignment used, quality = 0.97: H PHE 89 + HG3 ARG 90 OK 97 97 100 100 3.7-6.9 7209/2823=91...(11) Violated in 3 structures by 0.07 A. Peak 11302 from cnoeabs.peaks (8.68, 2.02, 28.15 ppm; 6.80 A): 3 out of 9 assignments used, quality = 1.00: H PHE 89 + HG2 ARG 90 OK 99 99 100 100 3.9-6.3 7209/4.6=94...(11) H LYS 39 + HB3 GLU 40 OK 76 76 100 100 5.0-6.8 6448/4.0=96, 6466/4.6=73...(6) H SER 60 + HG2 PRO 58 OK 53 53 100 100 3.3-5.0 9338/3.8=85, 9330/2.3=76...(16) H HIS 7 - HB2 GLU 44 far 8 85 10 - 6.9-53.7 H HIS 7 - HB3 GLU 40 far 7 67 10 - 4.6-57.8 H HIS 8 - HB2 GLU 44 far 4 71 5 - 7.3-49.4 H HIS 8 - HB3 GLU 40 far 3 55 5 - 8.0-53.6 H LYS 39 - HB2 GLU 44 far 0 94 0 - 8.5-10.3 H SER 50 - HB2 GLU 44 far 0 75 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 11303 from cnoeabs.peaks (1.18, 1.73, 28.15 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: QG2 VAL 77 + HG3 ARG 90 OK 100 100 100 100 1.8-4.0 9662/1.8=92...(32) Violated in 0 structures by 0.00 A. Peak 11304 from cnoeabs.peaks (1.18, 3.17, 43.40 ppm; 3.66 A): 2 out of 10 assignments used, quality = 1.00: QG2 VAL 77 + HD3 ARG 90 OK 100 100 100 100 2.1-4.8 9662/3.0=60, 9676/2.9=55...(37) QG2 VAL 77 + HD2 ARG 90 OK 100 100 100 100 1.8-5.1 9662/3.0=60, 9676/2.9=55...(38) QG2 THR 25 - HD3 ARG 23 far 5 91 5 - 5.0-10.4 QG2 THR 18 - HD2 ARG 23 far 4 88 5 - 4.6-12.6 HG12 ILE 32 - HD3 ARG 23 far 4 74 5 - 4.0-20.7 HG12 ILE 32 - HD2 ARG 23 far 4 74 5 - 5.1-20.8 QG2 THR 25 - HD2 ARG 23 far 0 91 0 - 5.5-9.7 QB ALA 41 - HD3 ARG 23 far 0 87 0 - 5.8-25.8 QG2 THR 18 - HD3 ARG 23 far 0 88 0 - 5.9-13.1 QB ALA 41 - HD2 ARG 23 far 0 87 0 - 6.8-25.9 Violated in 4 structures by 0.07 A. Peak 11305 from cnoeabs.peaks (1.05, 3.17, 43.40 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.99: QG1 VAL 77 + HD3 ARG 90 OK 93 98 95 100 2.2-5.7 11842/2.9=56...(33) QG1 VAL 77 + HD2 ARG 90 OK 83 98 85 100 2.9-6.5 11842/2.9=56...(33) Violated in 4 structures by 0.13 A. Peak 11306 from cnoeabs.peaks (1.04, 1.73, 28.15 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.87: QG1 VAL 77 + HG3 ARG 90 OK 87 87 100 100 3.2-6.0 2.1/11303=92, ~9662=80...(27) QG2 VAL 133 - HG3 ARG 90 far 0 100 0 - 8.5-12.2 Violated in 4 structures by 0.08 A. Peak 11307 from cnoeabs.peaks (1.38, 3.98, 58.93 ppm; 6.26 A): 3 out of 24 assignments used, quality = 0.92: HG2 LYS 95 + HA GLU 91 OK 71 96 100 74 4.2-7.2 4.6/7290=41, 9914/3.9=22...(7) HG3 LYS 95 + HA GLU 91 OK 63 97 95 68 5.4-7.9 4.6/7290=41, ~11309=23...(7) HB2 LEU 96 + HA GLN 127 OK 24 75 75 43 6.7-9.0 ~11714=17, 10403/4.8=12...(5) QB ALA 108 - HA GLN 68 poor 19 77 25 - 5.9-16.9 HG3 LYS 31 - HA GLN 68 poor 14 69 20 - 5.7-14.1 QB ALA 29 - HA GLN 68 lone 11 80 80 17 3.4-10.2 202/2127=4, 10792/3.7=3...(6) HG LEU 96 - HA GLU 91 poor 7 78 40 22 7.2-10.4 3084/4.9=9, 11436/2858=7 HG2 LYS 24 - HA GLN 68 far 4 80 5 - 7.6-21.5 HG3 LYS 26 - HA GLN 68 far 4 79 5 - 7.3-20.0 HB2 LEU 42 - HA GLN 127 far 4 75 5 - 7.1-11.5 HG2 LYS 36 - HA GLN 68 lone 3 80 40 11 4.8-11.8 11126/2124=4, 11124/11118=3 QB ALA 28 - HA GLN 68 far 0 78 0 - 7.8-14.6 HB2 LEU 96 - HA GLU 91 far 0 100 0 - 8.1-10.2 QB ALA 29 - HA GLN 127 far 0 75 0 - 8.1-18.0 QB ALA 28 - HA GLU 91 far 0 99 0 - 8.2-24.8 HG LEU 96 - HA GLN 127 far 0 52 0 - 8.3-10.1 QB ALA 109 - HA GLN 68 far 0 72 0 - 8.5-19.6 HG LEU 96 - HA GLN 68 far 0 57 0 - 8.7-11.9 HG3 LYS 95 - HA GLN 127 far 0 71 0 - 8.8-15.2 HB2 LEU 42 - HA GLN 68 far 0 81 0 - 8.8-11.9 QB ALA 15 - HA GLN 68 far 0 79 0 - 9.4-28.6 HB3 LEU 100 - HA GLN 68 far 0 80 0 - 9.5-10.5 HG2 LYS 95 - HA GLN 127 far 0 68 0 - 9.8-14.3 HB3 LEU 100 - HA GLN 127 far 0 75 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 11308 from cnoeabs.peaks (1.41, 1.99, 28.84 ppm; 4.82 A): 1 out of 8 assignments used, quality = 0.89: QB ALA 92 + HB2 GLU 91 OK 89 89 100 100 3.8-4.9 3.0/7252=86...(24) HG2 LYS 95 - HB2 GLU 91 poor 14 71 20 - 5.5-8.6 QB ALA 16 - HB3 PRO 56 far 5 53 10 - 4.8-35.7 HG3 LYS 95 - HB2 GLU 91 far 3 65 5 - 6.3-9.6 HG2 LYS 86 - HB2 GLU 91 far 0 99 0 - 7.8-10.9 HG LEU 96 - HB2 GLU 91 far 0 92 0 - 8.5-12.1 QB ALA 109 - HB3 PRO 56 far 0 34 0 - 8.9-16.4 QB ALA 28 - HB3 PRO 56 far 0 27 0 - 9.0-25.2 Violated in 1 structures by 0.00 A. Peak 11309 from cnoeabs.peaks (1.41, 2.03, 28.84 ppm; 5.23 A): 2 out of 7 assignments used, quality = 0.90: QB ALA 92 + HB3 GLU 91 OK 83 83 100 100 3.8-5.4 11308/1.8=89...(21) HG2 LYS 95 + HB3 GLU 91 OK 40 78 60 85 4.6-7.5 9914/3.0=32, 9911/3.0=27...(11) HG3 LYS 95 - HB3 GLU 91 poor 18 73 25 - 4.6-8.3 HG LEU 96 - HB3 GLU 91 far 0 96 0 - 8.6-12.3 HB2 LEU 96 - HB3 GLU 91 far 0 60 0 - 9.1-11.8 HG2 LYS 86 - HB3 GLU 91 far 0 97 0 - 9.3-12.3 QB ALA 28 - HB3 GLU 91 far 0 68 0 - 9.9-25.5 Violated in 2 structures by 0.00 A. Peak 11311 from cnoeabs.peaks (8.12, 4.05, 55.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: H GLU 91 + HA ALA 92 OK 100 100 100 100 5.3-5.5 7250/2.9=100...(9) H ASN 121 - HA ALA 92 far 0 100 0 - 8.8-13.6 Violated in 0 structures by 0.00 A. Peak 11312 from cnoeabs.peaks (8.26, 4.05, 55.00 ppm; 5.97 A): 2 out of 4 assignments used, quality = 0.97: H LEU 96 + HA ALA 92 OK 93 93 100 100 3.6-4.7 3.1/2894=90, 7311/4.9=68...(25) H VAL 126 + HA ALA 92 OK 54 57 95 99 5.4-7.7 4.7/11395=63...(21) H LEU 123 - HA ALA 92 far 0 100 0 - 8.5-11.8 H ASP 131 - HA ALA 92 far 0 97 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 11315 from cnoeabs.peaks (2.23, 1.43, 18.02 ppm; 4.31 A): 3 out of 5 assignments used, quality = 1.00: HB3 GLU 128 + QB ALA 92 OK 100 100 100 100 2.0-5.2 1.8/10444=82...(21) HB3 LEU 96 + QB ALA 92 OK 87 99 90 97 3.4-6.1 11354/10491=38...(21) HG2 GLU 91 + QB ALA 92 OK 75 100 75 100 3.2-6.0 7254/7257=65...(25) HB3 GLN 127 - QB ALA 92 far 0 100 0 - 6.0-8.8 HB3 GLU 97 - QB ALA 92 far 0 93 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 11316 from cnoeabs.peaks (2.05, 1.43, 18.02 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.92: HB3 GLU 91 + QB ALA 92 OK 92 92 100 100 3.8-5.4 4.6/7257=55...(21) HB2 GLN 127 - QB ALA 92 far 0 98 0 - 5.9-8.7 HG2 ARG 90 - QB ALA 92 far 0 71 0 - 6.1-7.1 HG3 ARG 135 - QB ALA 92 far 0 92 0 - 8.3-10.6 HG3 PRO 81 - QB ALA 92 far 0 100 0 - 9.2-11.5 Violated in 19 structures by 0.87 A. Peak 11317 from cnoeabs.peaks (1.75, 1.43, 18.02 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: HG13 ILE 129 + QB ALA 92 OK 100 100 100 100 1.7-2.9 2.1/10491=86...(28) HG3 ARG 90 - QB ALA 92 far 0 92 0 - 5.8-7.1 HB ILE 80 - QB ALA 92 far 0 97 0 - 8.6-9.8 HG LEU 100 - QB ALA 92 far 0 57 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 11318 from cnoeabs.peaks (1.64, 1.43, 18.02 ppm; 4.26 A): 3 out of 13 assignments used, quality = 0.97: QB ALA 88 + QB ALA 92 OK 86 87 100 99 3.7-4.5 11362/2897=38, ~7246=35...(22) HD2 LYS 95 + QB ALA 92 OK 57 97 60 99 3.1-7.6 3.7/9948=48, 9941/2.1=40...(26) HD3 LYS 95 + QB ALA 92 OK 49 90 55 100 3.6-6.8 3.7/9948=48, 9941/2.1=40...(27) HB2 LEU 69 - QB ALA 92 far 0 68 0 - 7.5-10.0 HB2 LEU 123 - QB ALA 92 far 0 99 0 - 8.5-11.0 HG3 ARG 84 - QB ALA 92 far 0 99 0 - 9.1-11.5 HB2 LEU 98 - QB ALA 92 far 0 98 0 - 9.1-10.7 HG2 ARG 84 - QB ALA 92 far 0 99 0 - 9.2-12.3 HD3 LYS 86 - QB ALA 92 far 0 90 0 - 9.2-11.2 HD2 LYS 86 - QB ALA 92 far 0 90 0 - 9.3-11.5 HD3 LYS 24 - QB ALA 92 far 0 89 0 - 9.4-27.6 HD2 LYS 24 - QB ALA 92 far 0 87 0 - 9.5-27.4 HG LEU 43 - QB ALA 92 far 0 100 0 - 9.5-12.0 Violated in 2 structures by 0.01 A. Peak 11319 from cnoeabs.peaks (2.36, 1.43, 18.02 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.84: HG2 GLU 128 + QB ALA 92 OK 84 89 95 100 1.9-6.7 1.8/10447=94, 10446=83...(19) HG2 GLN 127 - QB ALA 92 far 0 100 0 - 6.1-7.9 HB VAL 77 - QB ALA 92 far 0 76 0 - 6.5-8.0 Violated in 11 structures by 0.52 A. Peak 11321 from cnoeabs.peaks (0.83, 3.25, 66.81 ppm; 5.56 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 129 + HA VAL 93 OK 100 100 100 100 3.8-5.6 4163/10461=97...(47) QD1 LEU 70 + HA VAL 93 OK 99 99 100 100 3.9-6.2 ~9485=65, ~9485=62...(27) QD1 LEU 122 - HA VAL 93 far 12 83 15 - 5.6-9.6 QD2 LEU 49 - HA VAL 93 far 3 57 5 - 7.0-9.6 QG1 VAL 133 - HA VAL 93 far 0 97 0 - 7.4-8.7 QG2 ILE 80 - HA VAL 93 far 0 95 0 - 7.4-11.3 Violated in 0 structures by 0.00 A. Peak 11322 from cnoeabs.peaks (0.84, 0.75, 21.32 ppm; 2.76 A): 2 out of 9 assignments used, quality = 0.44: QG2 ILE 129 + QG1 VAL 93 OK 28 83 35 95 2.6-5.0 11405/2.1=33, 4140=16...(35) QD2 LEU 70 + QG1 VAL 93 OK 22 92 30 81 2.0-5.6 9485/2.1=28, 9495/3.2=20...(20) QD1 LEU 70 - QG1 VAL 93 poor 19 76 25 - 2.4-6.9 QD2 LEU 69 - QG1 VAL 93 far 0 63 0 - 4.4-7.7 QG1 VAL 133 - QG1 VAL 93 far 0 100 0 - 5.2-7.7 QG2 ILE 80 - QG1 VAL 93 far 0 63 0 - 5.6-9.0 HG13 ILE 80 - QG1 VAL 93 far 0 87 0 - 6.1-10.4 QD1 LEU 98 - QG1 VAL 93 far 0 81 0 - 6.3-8.4 QG2 ILE 32 - QG1 VAL 93 far 0 95 0 - 6.7-12.7 Violated in 17 structures by 1.01 A. Peak 11323 from cnoeabs.peaks (1.70, 0.75, 21.32 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.90: HB3 LEU 70 + QG1 VAL 93 OK 75 89 85 100 3.4-7.6 ~9485=43, ~11407=42...(22) HB2 LEU 70 + QG1 VAL 93 OK 60 93 65 100 3.6-6.7 ~9485=43, ~11407=42...(22) HB2 LEU 69 - QG1 VAL 93 far 0 60 0 - 6.1-9.0 HG LEU 98 - QG1 VAL 93 far 0 96 0 - 6.2-8.8 HD2 LYS 36 - QG1 VAL 93 far 0 63 0 - 9.1-13.6 HD3 LYS 36 - QG1 VAL 93 far 0 63 0 - 9.5-14.4 Violated in 10 structures by 0.28 A. Peak 11324 from cnoeabs.peaks (1.64, 0.75, 21.32 ppm; 5.54 A): 2 out of 13 assignments used, quality = 0.63: HD3 LYS 95 + QG1 VAL 93 OK 52 89 60 98 5.6-8.4 9828/2.1=75...(18) HD2 LYS 95 + QG1 VAL 93 OK 23 96 25 97 6.3-8.5 ~9828=63, 5.5/11332=51...(18) HB2 LEU 69 - QG1 VAL 93 poor 16 65 25 - 6.1-9.0 HD3 LYS 31 - QG1 VAL 93 far 4 87 5 - 7.0-20.5 QB ALA 88 - QG1 VAL 93 far 4 85 5 - 5.9-8.3 HD3 LYS 86 - QG1 VAL 93 far 0 89 0 - 7.2-11.0 HD2 LYS 86 - QG1 VAL 93 far 0 89 0 - 7.4-10.9 HD2 LYS 31 - QG1 VAL 93 far 0 85 0 - 7.6-20.5 HB2 LEU 98 - QG1 VAL 93 far 0 97 0 - 8.0-10.5 HD2 LYS 36 - QG1 VAL 93 far 0 63 0 - 9.1-13.6 HD2 LYS 24 - QG1 VAL 93 far 0 85 0 - 9.3-25.4 HD3 LYS 36 - QG1 VAL 93 far 0 63 0 - 9.5-14.4 HD3 LYS 24 - QG1 VAL 93 far 0 87 0 - 9.8-26.7 Violated in 19 structures by 0.71 A. Peak 11325 from cnoeabs.peaks (1.73, 0.29, 23.10 ppm; 4.55 A): 4 out of 9 assignments used, quality = 1.00: HG3 ARG 90 + QG2 VAL 93 OK 100 100 100 100 3.6-5.9 2.9/11411=71...(21) HG13 ILE 129 + QG2 VAL 93 OK 97 97 100 100 1.8-5.1 2.1/10487=95...(36) HB2 LEU 70 + QG2 VAL 93 OK 35 78 45 100 5.1-7.4 3.2/9485=69...(17) HB3 LEU 70 + QG2 VAL 93 OK 21 85 25 100 4.9-7.2 3.2/9485=69...(17) HB ILE 80 - QG2 VAL 93 far 0 100 0 - 6.7-8.0 HG LEU 98 - QG2 VAL 93 far 0 73 0 - 6.8-10.4 HB2 LEU 43 - QG2 VAL 93 far 0 99 0 - 9.5-13.8 HG2 ARG 135 - QG2 VAL 93 far 0 76 0 - 9.6-14.1 HB2 LYS 39 - QG2 VAL 93 far 0 63 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 11326 from cnoeabs.peaks (7.41, 0.29, 23.10 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 89 + QG2 VAL 93 OK 99 99 100 100 1.9-3.6 2.2/9924=79...(26) HE22 GLN 101 - QG2 VAL 93 far 0 63 0 - 8.1-12.1 Violated in 0 structures by 0.00 A. Peak 11327 from cnoeabs.peaks (8.28, 0.29, 23.10 ppm; 5.38 A): 2 out of 8 assignments used, quality = 1.00: H LEU 96 + QG2 VAL 93 OK 100 100 100 100 4.7-5.2 11432/2.1=85...(35) H VAL 126 + QG2 VAL 93 OK 80 97 85 97 5.7-7.8 10400/10487=57...(21) H ASP 131 - QG2 VAL 93 far 0 98 0 - 7.0-10.3 H GLU 30 - QG2 VAL 93 far 0 89 0 - 7.6-19.0 H LEU 69 - QG2 VAL 93 far 0 85 0 - 7.9-9.6 H SER 99 - QG2 VAL 93 far 0 96 0 - 8.4-9.4 H LEU 43 - QG2 VAL 93 far 0 99 0 - 8.8-11.6 H LEU 123 - QG2 VAL 93 far 0 83 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 11328 from cnoeabs.peaks (8.85, 0.29, 23.10 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: H CYS 73 + QG2 VAL 93 OK 100 100 100 100 4.3-5.2 9566=98, 2.9/9955=92...(23) Violated in 0 structures by 0.00 A. Peak 11329 from cnoeabs.peaks (8.82, 0.75, 21.32 ppm; 6.24 A): 1 out of 1 assignment used, quality = 0.68: H CYS 73 + QG1 VAL 93 OK 68 68 100 100 3.9-5.4 2.9/11422=95...(22) Violated in 0 structures by 0.00 A. Peak 11330 from cnoeabs.peaks (8.27, 0.75, 21.32 ppm; 5.04 A): 1 out of 8 assignments used, quality = 0.99: H LEU 96 + QG1 VAL 93 OK 99 99 100 100 4.0-5.2 11425/2.1=86...(32) H GLU 30 - QG1 VAL 93 far 5 100 5 - 5.3-18.4 H ALA 29 - QG1 VAL 93 far 4 87 5 - 4.4-18.0 H VAL 126 - QG1 VAL 93 far 0 73 0 - 6.6-7.7 H SER 99 - QG1 VAL 93 far 0 71 0 - 7.2-9.5 H ASP 131 - QG1 VAL 93 far 0 100 0 - 7.8-10.4 H LEU 123 - QG1 VAL 93 far 0 99 0 - 9.3-10.9 H LEU 43 - QG1 VAL 93 far 0 81 0 - 9.6-12.0 Violated in 1 structures by 0.01 A. Peak 11331 from cnoeabs.peaks (7.79, 0.75, 21.32 ppm; 5.50 A): 2 out of 3 assignments used, quality = 1.00: H GLY 75 + QG1 VAL 93 OK 99 100 100 99 4.0-5.2 2.9/9608=54, 9922/2.1=43...(12) H ALA 92 + QG1 VAL 93 OK 68 68 100 100 3.2-6.0 ~9945=68, 7265/3.9=56...(20) HD22 ASN 121 - QG1 VAL 93 far 0 93 0 - 8.1-13.4 Violated in 0 structures by 0.00 A. Peak 11332 from cnoeabs.peaks (7.69, 0.75, 21.32 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.87: H LYS 95 + QG1 VAL 93 OK 87 87 100 100 4.3-5.0 3.4/2929=80, 3.6/9963=78...(33) H GLN 101 - QG1 VAL 93 far 0 98 0 - 6.6-9.7 Violated in 0 structures by 0.00 A. Peak 11333 from cnoeabs.peaks (7.40, 0.75, 21.32 ppm; 5.84 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 89 + QG1 VAL 93 OK 100 100 100 100 1.8-4.2 11424/2.1=95...(17) HE22 GLN 101 - QG1 VAL 93 far 8 85 10 - 7.0-10.4 Violated in 0 structures by 0.00 A. Peak 11334 from cnoeabs.peaks (7.32, 0.75, 21.32 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.96: HZ PHE 89 + QG1 VAL 93 OK 96 96 100 100 3.7-6.0 2.2/11429=93, ~11424=81...(12) QD PHE 87 - QG1 VAL 93 far 0 100 0 - 7.7-10.2 Violated in 5 structures by 0.05 A. Peak 11335 from cnoeabs.peaks (0.89, 4.23, 61.64 ppm; 5.27 A): 4 out of 12 assignments used, quality = 1.00: QD2 LEU 123 + HA SER 124 OK 95 95 100 100 4.4-5.8 3.2/11573=75...(20) QD2 LEU 98 + HA SER 94 OK 93 97 100 96 3.6-5.9 11438/3.0=68...(9) QD1 LEU 98 + HA SER 94 OK 49 71 75 93 4.2-7.1 ~11918=59, ~11438=49...(9) QD1 LEU 49 + HA SER 124 OK 47 63 95 77 3.9-7.2 10437/11672=20...(11) QD2 LEU 69 - HA SER 124 far 0 79 0 - 6.8-10.9 QD1 LEU 62 - HA SER 124 far 0 61 0 - 6.9-11.2 QG1 VAL 118 - HA SER 94 far 0 96 0 - 7.2-11.0 QG1 VAL 118 - HA SER 124 far 0 89 0 - 7.3-9.3 QG2 VAL 57 - HA SER 124 far 0 63 0 - 8.4-13.0 QD2 LEU 69 - HA SER 94 far 0 87 0 - 8.5-12.7 QD2 LEU 98 - HA SER 124 far 0 90 0 - 8.6-13.4 QD2 LEU 48 - HA SER 124 far 0 73 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 11336 from cnoeabs.peaks (0.76, 4.23, 61.64 ppm; 5.20 A): 4 out of 13 assignments used, quality = 1.00: QD1 LEU 96 + HA SER 94 OK 98 99 100 99 3.7-6.1 3106/7334=46...(23) QG1 VAL 93 + HA SER 94 OK 93 93 100 100 2.9-5.1 9963=89, 2.1/9956=85...(24) QD2 LEU 96 + HA SER 94 OK 92 92 100 100 3.1-5.8 11806/4.9=51...(22) QD2 LEU 122 + HA SER 124 OK 42 68 70 88 5.5-8.0 ~10371=24, ~10373=22...(16) QD2 LEU 96 - HA SER 124 far 4 84 5 - 6.5-10.0 QD1 LEU 96 - HA SER 124 far 0 93 0 - 7.2-9.6 QD1 ILE 32 - HA SER 94 far 0 95 0 - 7.3-17.0 QD2 LEU 122 - HA SER 94 far 0 76 0 - 7.3-11.1 HG12 ILE 129 - HA SER 94 far 0 93 0 - 7.5-9.3 HG12 ILE 129 - HA SER 124 far 0 86 0 - 7.7-10.1 QD2 LEU 43 - HA SER 124 far 0 92 0 - 8.7-12.3 QD2 LEU 103 - HA SER 124 far 0 68 0 - 9.8-12.9 QG1 VAL 93 - HA SER 124 far 0 86 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 11338 from cnoeabs.peaks (1.48, 3.90, 62.72 ppm; 5.11 A): 2 out of 3 assignments used, quality = 0.81: QB ALA 52 + HB3 SER 50 OK 64 73 95 93 6.0-6.7 9224/4.7=34, 6618/3.9=30...(16) HB2 LEU 49 + HB3 SER 50 OK 48 60 80 100 5.9-7.3 1.8/1555=37, 6618/3.9=36...(39) HG LEU 42 - HB3 SER 50 far 0 72 0 - 9.6-12.4 Violated in 20 structures by 0.47 A. Peak 11339 from cnoeabs.peaks (0.92, 3.90, 62.72 ppm; 4.31 A): 3 out of 11 assignments used, quality = 0.91: QD1 LEU 49 + HB3 SER 50 OK 71 73 100 98 2.5-4.0 9209=22, 3.2/1555=21...(31) QD1 LEU 123 + HB3 SER 50 OK 54 66 85 97 3.8-6.3 11874/3.0=52, ~11636=27...(33) QD1 LEU 48 + HB3 SER 50 OK 31 70 80 56 5.1-7.5 4.8/6578=17...(11) QD2 LEU 48 - HB3 SER 50 poor 14 71 20 - 5.4-6.9 QG1 VAL 20 - HB3 SER 50 far 0 70 0 - 5.9-28.4 QG2 VAL 20 - HB3 SER 50 far 0 46 0 - 7.7-27.2 QD1 LEU 62 - HB3 SER 50 far 0 73 0 - 8.4-11.6 QG1 VAL 118 - HB2 SER 94 far 0 90 0 - 8.5-12.7 QG1 VAL 118 - HB3 SER 50 far 0 60 0 - 9.1-14.2 QD1 LEU 119 - HB3 SER 50 far 0 42 0 - 9.6-14.6 QG2 ILE 37 - HB3 SER 50 far 0 54 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 11340 from cnoeabs.peaks (0.79, 3.90, 62.72 ppm; 6.19 A): 3 out of 17 assignments used, quality = 0.98: QD1 LEU 53 + HB3 SER 50 OK 73 73 100 100 4.1-6.9 ~11816=75, ~1644=46...(24) QD2 LEU 49 + HB3 SER 50 OK 72 72 100 100 4.9-6.3 1579/3.9=60, 9218/3.0=46...(33) QD1 LEU 96 + HB2 SER 94 OK 68 83 95 87 5.7-7.8 ~11434=25, 2.1/11692=23...(11) QD1 LEU 122 - HB3 SER 50 poor 18 62 30 - 6.3-10.5 QD1 LEU 70 - HB2 SER 94 far 7 65 10 - 6.8-9.4 QD2 LEU 122 - HB3 SER 50 far 4 72 5 - 7.1-11.6 QG2 ILE 129 - HB2 SER 94 far 0 57 0 - 7.8-9.3 QD2 LEU 119 - HB3 SER 50 far 0 69 0 - 7.8-15.9 QD1 ILE 32 - HB3 SER 50 far 0 62 0 - 8.1-16.0 QD1 ILE 32 - HB2 SER 94 far 0 92 0 - 8.1-18.7 QG2 ILE 129 - HB3 SER 50 far 0 35 0 - 8.4-11.1 QD1 LEU 70 - HB3 SER 50 far 0 41 0 - 8.7-14.3 QD1 LEU 122 - HB2 SER 94 far 0 92 0 - 8.9-12.6 QD2 LEU 122 - HB2 SER 94 far 0 100 0 - 9.0-12.8 QG2 ILE 80 - HB2 SER 94 far 0 78 0 - 9.2-12.5 QD1 LEU 96 - HB3 SER 50 far 0 54 0 - 9.4-12.5 QD1 ILE 37 - HB3 SER 50 far 0 64 0 - 9.6-15.8 Violated in 0 structures by 0.00 A. Peak 11341 from cnoeabs.peaks (8.50, 4.02, 59.62 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: H GLU 97 + HA LYS 95 OK 100 100 100 100 3.7-4.5 7330/3.6=90, 7308/2.9=74...(21) H LEU 100 + HA LYS 95 OK 87 96 100 91 6.0-6.7 3.4/2960=37...(17) Violated in 0 structures by 0.00 A. Peak 11343 from cnoeabs.peaks (0.86, 4.02, 59.62 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 98 + HA LYS 95 OK 100 100 100 100 1.8-4.3 11469=73, 2.1/11468=69...(26) QD2 LEU 98 + HA LYS 95 OK 95 96 100 100 1.6-4.6 11470=72, 2.1/11468=69...(27) QD2 LEU 70 - HA LYS 95 far 0 99 0 - 6.4-9.2 QD2 LEU 69 - HA LYS 95 far 0 100 0 - 9.5-12.7 QD2 LEU 123 - HA LYS 95 far 0 83 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 11350 from cnoeabs.peaks (0.81, 1.94, 32.34 ppm; 5.20 A): 5 out of 27 assignments used, quality = 0.99: QG2 ILE 80 + HB3 PRO 81 OK 82 82 100 100 4.0-6.4 9735/2.3=59, ~11265=55...(45) HG13 ILE 80 + HB3 PRO 81 OK 73 77 95 100 5.3-7.0 ~11248=46, ~11226=46...(33) QG2 ILE 80 + HB3 LYS 86 OK 42 42 100 100 1.7-6.0 9753/4.0=69...(51) HG13 ILE 80 + HB3 LYS 86 OK 36 38 95 100 1.9-6.7 2.1/9721=66, ~9822=64...(49) QD2 LEU 119 + HB2 PRO 58 OK 29 76 50 76 4.5-14.3 10927/2.3=59, ~10926=13...(8) QD1 LEU 122 - HB3 LYS 95 poor 20 99 20 - 6.1-9.7 QG1 VAL 133 - HB3 PRO 81 poor 11 56 20 - 5.9-9.1 QD1 LEU 122 - HB2 LYS 95 far 10 98 10 - 5.7-9.8 QD2 LEU 122 - HB3 LYS 95 poor 9 65 35 40 5.3-9.6 9259/11650=11...(9) QD2 LEU 122 - HB2 LYS 95 poor 9 64 35 41 5.8-9.2 9259/11650=13...(10) QD1 LEU 70 - HB3 LYS 95 far 5 100 5 - 6.6-9.9 QD1 LEU 70 - HB2 LYS 95 far 5 99 5 - 6.4-9.7 QG1 VAL 133 - HB3 LYS 86 far 1 26 5 - 6.5-9.7 QD2 LEU 22 - HB2 PRO 58 far 0 47 0 - 7.1-28.7 QG2 ILE 129 - HB3 LYS 86 far 0 39 0 - 7.1-8.9 QG2 ILE 129 - HB2 LYS 95 far 0 98 0 - 7.2-9.0 QG2 ILE 129 - HB3 PRO 81 far 0 79 0 - 7.7-10.9 QG2 ILE 129 - HB3 LYS 95 far 0 99 0 - 8.4-10.1 QD2 LEU 119 - HB3 LYS 95 far 0 95 0 - 8.4-14.0 QD1 LEU 53 - HB2 LYS 95 far 0 82 0 - 8.8-12.1 QD1 LEU 53 - HB3 LYS 95 far 0 83 0 - 8.9-12.3 QD1 LEU 53 - HB2 PRO 58 far 0 64 0 - 9.0-13.8 QD2 LEU 122 - HB2 PRO 58 far 0 49 0 - 9.1-13.4 QD1 LEU 122 - HB2 PRO 58 far 0 82 0 - 9.2-13.4 QD2 LEU 49 - HB2 LYS 95 far 0 88 0 - 9.3-12.2 QD2 LEU 49 - HB3 LYS 95 far 0 89 0 - 9.8-12.1 QD2 LEU 119 - HB2 LYS 95 far 0 94 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 11351 from cnoeabs.peaks (7.80, 2.88, 41.80 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.69: H ALA 92 + HE3 LYS 95 OK 58 92 65 97 4.7-8.6 3.0/9950=39, 2.9/9928=35...(21) H ALA 92 + HE2 LYS 95 OK 27 92 30 96 5.4-8.0 2.9/9928=31, ~9950=29...(21) HD22 ASN 121 - HE3 LYS 95 far 4 71 5 - 5.6-14.8 HD22 ASN 121 - HE2 LYS 95 far 4 71 5 - 5.7-13.6 Violated in 18 structures by 0.87 A. Peak 11352 from cnoeabs.peaks (8.01, 2.88, 41.80 ppm; 5.51 A): 2 out of 4 assignments used, quality = 0.93: H SER 94 + HE3 LYS 95 OK 77 83 95 98 3.7-7.0 3.4/3043=37...(16) H SER 94 + HE2 LYS 95 OK 69 83 85 98 3.6-7.4 3.4/3032=37, 9225/3.0=32...(16) H ILE 129 - HE2 LYS 95 far 0 98 0 - 8.1-12.7 H ILE 129 - HE3 LYS 95 far 0 98 0 - 8.9-11.9 Violated in 3 structures by 0.10 A. Peak 11353 from cnoeabs.peaks (3.77, 0.77, 23.84 ppm; 4.88 A): 2 out of 9 assignments used, quality = 1.00: HA GLU 97 + QD1 LEU 96 OK 99 99 100 100 2.0-4.9 11809/2.1=90...(44) HB2 SER 99 + QD1 LEU 96 OK 30 98 40 76 5.6-7.8 3208/4.0=28...(14) HA ARG 90 - QD1 LEU 96 poor 18 68 65 40 5.7-8.3 9953/2922=8, 2911/2916=7...(11) HA GLU 97 - QD1 LEU 103 far 7 67 10 - 6.3-10.2 HB2 SER 99 - QD1 LEU 103 far 6 65 10 - 6.0-8.3 HA SER 130 - QD1 LEU 96 far 0 93 0 - 6.7-9.8 HB3 SER 130 - QD1 LEU 96 far 0 99 0 - 7.5-10.5 HA LEU 43 - QD1 LEU 96 far 0 95 0 - 8.1-11.1 HA VAL 133 - QD1 LEU 96 far 0 100 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 11354 from cnoeabs.peaks (0.64, 2.23, 41.04 ppm; 5.71 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + HB3 LEU 96 OK 100 100 100 100 1.9-4.6 9982/3.8=79...(44) QD1 LEU 42 - HB3 LEU 96 far 5 100 5 - 7.1-10.9 Violated in 0 structures by 0.00 A. Peak 11357 from cnoeabs.peaks (8.28, 3.76, 59.92 ppm; 5.36 A): 2 out of 6 assignments used, quality = 1.00: H SER 99 + HA GLU 97 OK 99 99 100 100 3.7-5.2 7375/3.6=85, 7374=49...(26) H LEU 96 + HA GLU 97 OK 97 97 100 100 5.0-5.4 7330/2.8=94...(18) H VAL 126 - HA GLU 97 far 5 99 5 - 6.7-8.9 H LEU 123 - HA GLU 97 far 0 71 0 - 7.8-9.8 H LEU 69 - HA GLU 97 far 0 93 0 - 8.0-9.9 H GLU 30 - HA GLU 97 far 0 78 0 - 9.6-20.3 Violated in 0 structures by 0.00 A. Peak 11358 from cnoeabs.peaks (4.23, 2.42, 35.12 ppm; 4.90 A): 2 out of 7 assignments used, quality = 0.97: HA SER 94 + HG3 GLU 97 OK 95 100 95 100 1.7-6.5 11457/1.8=97...(13) HA HIS 67 + HG3 GLU 97 OK 48 93 55 94 4.3-9.7 11089/9486=77...(6) HA ALA 28 - HG3 GLU 97 far 5 99 5 - 5.6-25.3 HA GLN 27 - HG3 GLU 97 far 5 96 5 - 6.2-25.5 HA SER 99 - HG3 GLU 97 far 0 93 0 - 7.0-9.4 HA GLU 30 - HG3 GLU 97 far 0 99 0 - 7.5-22.4 HA ALA 29 - HG3 GLU 97 far 0 100 0 - 7.8-21.4 Violated in 4 structures by 0.05 A. Peak 11359 from cnoeabs.peaks (4.23, 2.27, 35.12 ppm; 4.19 A): 4 out of 13 assignments used, quality = 0.97: HA SER 94 + HG2 GLU 97 OK 84 100 85 98 2.4-6.4 3117/2.9=68...(14) HA GLU 30 + HG2 GLU 30 OK 69 69 100 100 2.7-3.8 3.8=100 HA ALA 28 + HG2 GLU 30 OK 30 69 45 96 3.3-7.7 ~10792=41, 2.1/10743=28...(22) HA ALA 29 + HG2 GLU 30 OK 21 70 30 98 4.8-6.3 3.6/6320=53...(25) HA HIS 67 - HG2 GLU 97 far 14 93 15 - 5.6-9.5 HA ALA 28 - HG2 GLU 97 far 5 99 5 - 4.8-25.1 HA GLN 27 - HG2 GLU 97 far 5 96 5 - 4.4-25.8 HA SER 94 - HG2 GLU 30 far 4 71 5 - 5.6-27.4 HA GLN 27 - HG2 GLU 30 far 0 63 0 - 5.8-10.0 HA ALA 29 - HG2 GLU 97 far 0 100 0 - 6.7-21.4 HA GLU 30 - HG2 GLU 97 far 0 99 0 - 6.8-22.8 HA SER 99 - HG2 GLU 97 far 0 93 0 - 6.9-9.4 HA HIS 67 - HG2 GLU 30 far 0 61 0 - 9.4-17.4 Violated in 0 structures by 0.00 A. Peak 11361 from cnoeabs.peaks (1.39, 2.27, 35.12 ppm; 4.97 A): 5 out of 28 assignments used, quality = 1.00: HG LEU 96 + HG2 GLU 97 OK 99 99 100 100 3.5-5.1 11461/2.9=44...(38) HB2 LEU 96 + HG2 GLU 97 OK 82 97 85 100 5.5-7.4 4.4/3133=64, 3069=37...(39) QB ALA 28 + HG2 GLU 30 OK 67 67 100 99 1.9-5.2 10792/1.8=63...(20) QB ALA 29 + HG2 GLU 30 OK 64 65 100 100 4.5-6.4 3.7/6320=67...(23) HG3 LYS 31 + HG2 GLU 30 OK 38 71 80 67 1.9-8.6 5.0/6328=31...(10) QB ALA 15 - HG2 GLU 30 far 10 67 15 - 2.0-22.4 HG2 LYS 95 - HG2 GLU 97 far 10 100 10 - 6.0-10.9 HG3 LYS 95 - HG2 GLU 97 far 10 99 10 - 6.0-10.0 HG3 LYS 26 - HG2 GLU 30 far 10 66 15 - 4.0-13.7 QB ALA 108 - HG2 GLU 97 far 5 99 5 - 6.4-17.3 QB ALA 28 - HG2 GLU 97 far 5 99 5 - 5.6-21.7 QB ALA 29 - HG2 GLU 97 far 5 97 5 - 4.5-17.0 HB3 LEU 100 - HG2 GLU 97 far 5 96 5 - 5.5-8.0 QB ALA 16 - HG2 GLU 30 far 3 62 5 - 5.9-20.9 HG2 LYS 19 - HG2 GLU 30 far 2 39 5 - 6.1-23.9 HG2 LYS 24 - HG2 GLU 30 far 0 63 0 - 6.5-16.4 QB ALA 108 - HG2 GLU 30 far 0 68 0 - 7.0-25.2 QB ALA 34 - HG2 GLU 30 far 0 39 0 - 8.0-13.8 HG LEU 96 - HG2 GLU 30 far 0 69 0 - 8.2-23.0 QB ALA 34 - HG2 GLU 97 far 0 65 0 - 8.4-19.7 QB ALA 110 - HG2 GLU 97 far 0 98 0 - 8.5-22.2 HG3 LYS 26 - HG2 GLU 97 far 0 97 0 - 8.5-25.8 QB ALA 109 - HG2 GLU 30 far 0 70 0 - 8.6-26.0 HG2 LYS 24 - HG2 GLU 97 far 0 96 0 - 8.8-33.1 QB ALA 15 - HG2 GLU 97 far 0 98 0 - 8.9-38.6 HG3 LYS 31 - HG2 GLU 97 far 0 100 0 - 9.3-24.6 QB ALA 110 - HG2 GLU 30 far 0 67 0 - 9.4-28.0 HG2 LYS 36 - HG2 GLU 30 far 0 65 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 11362 from cnoeabs.peaks (1.41, 2.21, 28.66 ppm; 5.43 A): 2 out of 27 assignments used, quality = 0.98: HG LEU 96 + HB3 GLU 97 OK 95 95 100 100 4.6-6.0 11461/1.8=65, ~11451=63...(47) QB ALA 92 + HB3 GLU 128 OK 57 57 100 100 2.0-5.2 10444/1.8=84...(20) QB ALA 108 - HB3 GLU 102 poor 15 49 30 - 3.3-12.0 QB ALA 109 - HB3 GLU 102 far 6 57 10 - 6.2-14.0 QB ALA 110 - HB3 GLU 102 far 4 44 10 - 6.0-16.2 QB ALA 108 - HB3 GLU 97 far 3 68 5 - 6.9-16.5 QB ALA 28 - HB3 GLU 97 far 3 65 5 - 6.7-21.3 HG2 LYS 26 - HB3 GLU 102 far 3 57 5 - 5.4-29.6 HG2 LYS 95 - HB3 GLU 128 far 2 50 5 - 5.9-10.4 HG3 LYS 95 - HB3 GLU 128 far 2 46 5 - 5.6-11.6 HG2 LYS 86 - HB2 GLN 82 far 0 72 0 - 7.0-9.2 HG3 LYS 26 - HB3 GLU 102 far 0 42 0 - 7.1-28.6 HG LEU 96 - HB3 GLU 128 far 0 66 0 - 7.9-10.7 HG3 LYS 95 - HB3 GLU 97 far 0 71 0 - 8.1-10.2 HG2 LYS 26 - HB3 GLU 97 far 0 78 0 - 8.2-27.2 HG2 LYS 95 - HB3 GLU 97 far 0 76 0 - 8.5-10.1 HG13 ILE 32 - HB3 GLU 97 far 0 63 0 - 8.5-20.1 QB ALA 92 - HB3 GLU 97 far 0 85 0 - 8.8-10.2 QB ALA 15 - HB3 GLU 102 far 0 44 0 - 8.8-39.2 QB ALA 15 - HB3 GLU 97 far 0 63 0 - 8.9-37.5 HG3 LYS 26 - HB3 GLU 97 far 0 60 0 - 9.0-26.3 HG3 LYS 31 - HB3 GLU 97 far 0 83 0 - 9.2-24.6 QB ALA 16 - HB3 GLU 102 far 0 80 0 - 9.2-37.4 HG3 LYS 95 - HB3 GLU 102 far 0 51 0 - 9.2-12.5 QB ALA 110 - HB3 GLU 97 far 0 63 0 - 9.3-21.9 QB ALA 109 - HB3 GLU 97 far 0 78 0 - 9.7-17.0 HG LEU 96 - HB3 GLU 102 far 0 73 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 11363 from cnoeabs.peaks (1.40, 2.14, 28.66 ppm; 4.96 A): 2 out of 14 assignments used, quality = 1.00: HG LEU 96 + HB2 GLU 97 OK 99 99 100 100 3.3-5.0 2.1/11695=63, ~11451=53...(39) HB2 LEU 96 + HB2 GLU 97 OK 73 73 100 100 5.6-6.2 4.4/7345=68...(42) HB3 LEU 100 - HB2 GLU 97 poor 14 71 20 - 6.0-8.0 QB ALA 29 - HB2 GLU 97 far 4 73 5 - 3.8-16.0 HG2 LYS 95 - HB2 GLU 97 far 0 89 0 - 6.9-10.0 QB ALA 28 - HB2 GLU 97 far 0 81 0 - 6.9-20.7 HG3 LYS 95 - HB2 GLU 97 far 0 85 0 - 7.0-9.7 QB ALA 92 - HB2 GLU 97 far 0 71 0 - 7.4-9.0 QB ALA 108 - HB2 GLU 97 far 0 83 0 - 8.0-16.9 HG3 LYS 31 - HB2 GLU 97 far 0 93 0 - 9.2-24.8 HG2 LYS 26 - HB2 GLU 97 far 0 63 0 - 9.7-27.5 QB ALA 110 - HB2 GLU 97 far 0 78 0 - 9.9-22.1 QB ALA 15 - HB2 GLU 97 far 0 78 0 - 9.9-37.1 QB ALA 34 - HB2 GLU 97 far 0 93 0 - 10.0-20.0 Violated in 0 structures by 0.00 A. Peak 11364 from cnoeabs.peaks (1.80, 2.21, 28.66 ppm; 4.47 A): 5 out of 20 assignments used, quality = 0.99: HB3 LEU 98 + HB3 GLU 97 OK 74 97 90 85 3.9-6.0 7364/4.7=52, 3.0/3156=22...(13) HB3 LEU 103 + HB3 GLU 102 OK 66 81 90 90 5.0-6.2 3.9/7469=55...(19) HB2 LEU 100 + HB3 GLU 97 OK 65 68 95 100 4.2-6.5 3115/3.0=49, ~10036=33...(37) HB2 ARG 84 + HB2 GLN 82 OK 57 69 90 93 3.4-6.7 3.9/9778=53...(15) HB2 LYS 86 + HB2 GLN 82 OK 26 77 45 75 5.3-7.4 11302/3.0=27, ~11305=24...(10) HB3 LEU 98 - HB3 GLU 102 poor 13 75 30 58 5.1-8.4 11850/3.8=25...(13) HB3 ARG 135 - HB2 GLN 82 poor 10 53 65 30 2.3-9.7 9799/9797=10...(5) HG LEU 100 - HB3 GLU 97 far 4 85 5 - 5.7-8.3 HB3 LYS 26 - HB3 GLU 102 far 3 55 5 - 5.5-28.8 HB3 LEU 122 - HB3 GLU 97 far 0 100 0 - 6.3-9.0 HB2 LEU 100 - HB3 GLU 102 far 0 49 0 - 6.7-8.6 HB3 LEU 122 - HB3 GLU 102 far 0 81 0 - 7.3-12.2 HB3 ARG 23 - HB3 GLU 102 far 0 46 0 - 7.3-35.3 HB3 LEU 103 - HB3 GLU 97 far 0 100 0 - 7.3-10.7 HG LEU 100 - HB3 GLU 102 far 0 63 0 - 7.4-9.5 HB3 LEU 123 - HB3 GLU 128 far 0 26 0 - 7.4-11.1 HB3 LYS 26 - HB3 GLU 97 far 0 76 0 - 8.3-25.3 HB3 ARG 23 - HB3 GLU 97 far 0 65 0 - 8.5-30.7 HB3 LEU 122 - HB3 GLU 128 far 0 75 0 - 9.6-11.8 HB3 LYS 24 - HB3 GLU 102 far 0 65 0 - 9.8-33.6 Violated in 0 structures by 0.00 A. Peak 11365 from cnoeabs.peaks (2.83, 2.21, 28.66 ppm; 6.03 A): 1 out of 8 assignments used, quality = 0.75: HB3 ASN 85 + HB2 GLN 82 OK 75 75 100 100 2.8-6.2 1.8/11366=84...(18) HB2 ASN 116 - HB3 GLU 102 far 0 59 0 - 7.8-13.3 HB3 ASP 71 - HB3 GLU 97 far 0 93 0 - 7.9-10.5 HB2 ASN 121 - HB3 GLU 102 far 0 42 0 - 8.5-11.4 HB2 ASN 121 - HB3 GLU 128 far 0 38 0 - 8.6-12.4 HB3 ASN 120 - HB3 GLU 128 far 0 42 0 - 9.0-14.8 HB2 ASN 121 - HB3 GLU 97 far 0 60 0 - 9.1-12.7 HB3 ASN 85 - HB3 GLU 128 far 0 73 0 - 9.8-13.1 Violated in 2 structures by 0.01 A. Peak 11366 from cnoeabs.peaks (2.70, 2.21, 28.66 ppm; 6.03 A): 1 out of 2 assignments used, quality = 0.75: HB2 ASN 85 + HB2 GLN 82 OK 75 75 100 100 4.3-6.9 1.8/11365=84...(17) HB2 ASN 85 - HB3 GLU 128 far 0 73 0 - 9.6-11.8 Violated in 4 structures by 0.07 A. Peak 11368 from cnoeabs.peaks (1.22, 4.11, 57.89 ppm; 5.04 A): 2 out of 9 assignments used, quality = 0.91: QG2 THR 65 + HA LEU 49 OK 75 75 100 100 2.0-4.7 10966/4.1=74...(27) QG2 THR 65 + HA LEU 48 OK 63 89 70 100 3.9-7.5 9441/3.7=66...(18) QG2 THR 54 - HA LEU 49 far 8 51 15 - 6.1-9.6 QG2 THR 25 - HA LEU 49 far 5 47 10 - 4.1-21.7 QG2 THR 25 - HA LEU 48 far 3 59 5 - 2.7-24.3 QG2 THR 54 - HA LEU 48 far 0 64 0 - 7.1-11.3 QG2 THR 65 - HA GLN 104 far 0 49 0 - 7.8-13.0 QG2 THR 25 - HA LEU 98 far 0 63 0 - 8.3-24.5 QG2 THR 25 - HA GLN 104 far 0 29 0 - 9.0-23.4 Violated in 0 structures by 0.00 A. Peak 11370 from cnoeabs.peaks (1.22, 1.71, 26.74 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.74: QG2 THR 65 + HG LEU 48 OK 74 98 75 100 2.7-7.2 9441=91, 10957/2.1=74...(17) QG2 THR 54 - HG LEU 48 far 0 86 0 - 8.4-14.1 Violated in 8 structures by 0.56 A. Peak 11371 from cnoeabs.peaks (4.02, 1.71, 26.74 ppm; 4.28 A): 1 out of 12 assignments used, quality = 1.00: HA LYS 95 + HG LEU 98 OK 100 100 100 100 1.8-4.3 11470/2.1=71...(21) HB3 SER 99 - HG LEU 98 far 9 89 10 - 5.0-8.0 HA GLU 44 - HG LEU 48 far 0 66 0 - 5.9-8.0 HA LEU 96 - HG LEU 98 far 0 85 0 - 6.1-8.3 HA LEU 122 - HG LEU 98 far 0 65 0 - 6.8-9.9 HA SER 50 - HG LEU 48 far 0 66 0 - 6.9-9.6 HA ALA 92 - HG LEU 98 far 0 71 0 - 7.2-10.0 HA ILE 37 - HG LEU 48 far 0 99 0 - 7.7-14.4 HA GLU 102 - HG LEU 98 far 0 63 0 - 8.5-10.1 HA LEU 119 - HG LEU 98 far 0 100 0 - 8.9-14.3 HA GLN 68 - HG LEU 48 far 0 58 0 - 9.3-13.9 HA LEU 103 - HG LEU 98 far 0 99 0 - 9.7-12.4 Violated in 1 structures by 0.00 A. Peak 11372 from cnoeabs.peaks (4.01, 0.86, 23.66 ppm; 3.86 A): 3 out of 14 assignments used, quality = 0.99: HA LYS 95 + QD1 LEU 98 OK 98 98 100 100 1.8-4.3 11468/2.1=69...(25) HA LYS 95 + QD2 LEU 98 OK 41 41 100 100 1.6-4.6 11468/2.1=69...(27) HB3 SER 99 + QD1 LEU 98 OK 30 100 35 87 3.5-7.5 3.7/3191=41, ~11478=18...(11) HB3 SER 99 - QD2 LEU 98 poor 15 43 35 - 2.1-7.1 HA LEU 119 - QD2 LEU 98 far 0 36 0 - 5.8-12.4 HA LEU 103 - QD1 LEU 98 far 0 99 0 - 6.3-10.7 HA LEU 119 - QD1 LEU 98 far 0 92 0 - 6.8-13.1 HB3 SER 124 - QD2 LEU 98 far 0 32 0 - 6.9-12.6 HA GLU 91 - QD1 LEU 98 far 0 57 0 - 6.9-10.1 HA LEU 103 - QD2 LEU 98 far 0 43 0 - 7.0-9.9 HB2 SER 124 - QD2 LEU 98 far 0 36 0 - 7.6-12.3 HB2 SER 124 - QD1 LEU 98 far 0 92 0 - 8.6-12.1 HB3 SER 124 - QD1 LEU 98 far 0 85 0 - 8.7-12.7 HA VAL 20 - QD1 LEU 98 far 0 83 0 - 9.3-35.5 Violated in 0 structures by 0.00 A. Peak 11373 from cnoeabs.peaks (4.01, 0.88, 24.02 ppm; 3.86 A): 3 out of 15 assignments used, quality = 1.00: HA LYS 95 + QD2 LEU 98 OK 99 99 100 100 1.6-4.6 11468/2.1=69...(26) HA LYS 95 + QD1 LEU 98 OK 43 43 100 100 1.8-4.3 11468/2.1=69...(26) HB3 SER 99 + QD2 LEU 98 OK 29 99 35 83 2.1-7.1 1.8/11478=27...(12) HA LEU 96 - QD2 LEU 98 poor 17 63 35 75 3.3-6.4 2.9/3199=17...(22) HB3 SER 99 - QD1 LEU 98 poor 15 42 35 - 3.5-7.5 HA LEU 96 - QD1 LEU 98 far 1 22 5 - 5.2-7.4 HA LEU 119 - QD2 LEU 98 far 0 96 0 - 5.8-12.4 HA LEU 103 - QD1 LEU 98 far 0 44 0 - 6.3-10.7 HA LEU 119 - QD1 LEU 98 far 0 39 0 - 6.8-13.1 HB3 SER 124 - QD2 LEU 98 far 0 90 0 - 6.9-12.6 HA LEU 103 - QD2 LEU 98 far 0 100 0 - 7.0-9.9 HB2 SER 124 - QD2 LEU 98 far 0 87 0 - 7.6-12.3 HB2 SER 124 - QD1 LEU 98 far 0 33 0 - 8.6-12.1 HB3 SER 124 - QD1 LEU 98 far 0 35 0 - 8.7-12.7 HA VAL 20 - QD1 LEU 98 far 0 28 0 - 9.3-35.5 Violated in 0 structures by 0.00 A. Peak 11374 from cnoeabs.peaks (1.61, 3.76, 63.21 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 122 + HB2 SER 99 OK 100 100 100 100 2.0-5.0 3.1/11379=45...(37) HG LEU 122 + HB2 SER 99 OK 74 99 75 100 3.6-7.3 2.1/11379=52...(35) HG LEU 119 - HB2 SER 99 far 5 98 5 - 5.2-10.6 HG LEU 70 - HB2 SER 99 far 0 100 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 11375 from cnoeabs.peaks (1.78, 4.00, 63.21 ppm; 5.42 A): 4 out of 5 assignments used, quality = 1.00: HB3 LEU 98 + HB3 SER 99 OK 98 99 100 98 3.9-6.9 11471/1.8=50...(17) HG LEU 100 + HB3 SER 99 OK 92 100 95 97 5.5-7.2 5.1/7395=61, ~11477=28...(17) HB3 LEU 122 + HB3 SER 99 OK 87 92 95 100 1.8-7.0 3.1/11378=54...(30) HB3 LEU 103 + HB3 SER 99 OK 87 93 100 94 4.7-6.9 1.8/3372=32, ~11481=24...(21) HB2 ARG 23 - HB3 SER 99 far 0 73 0 - 9.7-34.1 Violated in 0 structures by 0.00 A. Peak 11376 from cnoeabs.peaks (1.62, 4.00, 63.21 ppm; 5.24 A): 2 out of 6 assignments used, quality = 0.99: HB2 LEU 122 + HB3 SER 99 OK 94 95 100 100 1.8-5.4 3.1/11378=52...(29) HG LEU 122 + HB3 SER 99 OK 84 89 95 100 3.0-7.4 2.1/11378=58...(26) HB2 LEU 123 - HB3 SER 99 poor 13 63 20 - 6.5-9.5 HG LEU 119 - HB3 SER 99 far 0 100 0 - 6.8-9.7 HG LEU 70 - HB3 SER 99 far 0 97 0 - 7.5-10.4 HG LEU 62 - HB3 SER 99 far 0 68 0 - 8.1-11.7 Violated in 1 structures by 0.00 A. Peak 11378 from cnoeabs.peaks (0.79, 4.00, 63.21 ppm; 3.91 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 122 + HB3 SER 99 OK 99 100 100 99 3.1-5.1 2.1/11702=42...(26) QD1 LEU 122 + HB3 SER 99 OK 68 81 85 99 3.6-6.9 11702=39, 11479/1.8=38...(25) QD1 LEU 103 - HB3 SER 99 far 5 100 5 - 5.3-8.2 QD1 LEU 96 - HB3 SER 99 far 5 93 5 - 4.8-8.1 QD1 LEU 53 - HB3 SER 99 far 0 99 0 - 5.5-11.2 QD2 LEU 119 - HB3 SER 99 far 0 92 0 - 5.9-9.5 QG1 VAL 63 - HB3 SER 99 far 0 100 0 - 7.3-9.4 QD2 LEU 49 - HB3 SER 99 far 0 97 0 - 7.9-10.8 Violated in 6 structures by 0.10 A. Peak 11379 from cnoeabs.peaks (0.79, 3.76, 63.21 ppm; 3.91 A): 2 out of 9 assignments used, quality = 0.87: QD2 LEU 122 + HB2 SER 99 OK 69 100 70 99 3.7-6.0 11476/1.8=45, ~11702=28...(39) QD1 LEU 122 + HB2 SER 99 OK 56 87 65 99 3.8-6.7 11476/1.8=37, ~11378=28...(38) QD1 LEU 70 - HB2 SER 99 far 6 57 10 - 5.3-9.3 QD2 LEU 119 - HB2 SER 99 far 5 96 5 - 4.4-9.9 QD1 LEU 53 - HB2 SER 99 far 0 100 0 - 5.5-11.6 QD1 LEU 96 - HB2 SER 99 far 0 89 0 - 5.6-7.8 QD1 LEU 103 - HB2 SER 99 far 0 99 0 - 6.0-8.3 QG1 VAL 63 - HB2 SER 99 far 0 99 0 - 8.4-10.5 QD2 LEU 49 - HB2 SER 99 far 0 99 0 - 8.6-11.2 Violated in 16 structures by 0.54 A. Peak 11380 from cnoeabs.peaks (0.86, 3.76, 63.21 ppm; 5.38 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 98 + HB2 SER 99 OK 94 100 95 99 2.1-7.2 3191/3.7=75...(19) QD2 LEU 98 + HB2 SER 99 OK 91 93 100 98 1.7-6.8 3.1/11471=46, ~10023=39...(23) QD2 LEU 70 + HB2 SER 99 OK 54 99 70 77 5.3-8.5 2268/4.5=27...(15) QD2 LEU 123 - HB2 SER 99 far 4 78 5 - 6.7-9.3 QD2 LEU 69 - HB2 SER 99 far 0 99 0 - 8.3-12.3 Violated in 0 structures by 0.00 A. Peak 11381 from cnoeabs.peaks (0.80, 4.22, 62.42 ppm; 4.98 A): 3 out of 8 assignments used, quality = 0.93: QD1 LEU 103 + HA SER 99 OK 60 78 80 97 5.4-6.8 10068/7443=51...(23) QD1 LEU 122 + HA SER 99 OK 60 100 60 100 5.0-8.1 11702/3.0=48...(43) QD2 LEU 122 + HA SER 99 OK 58 89 65 100 5.0-7.3 11476/3.0=46...(45) QD1 LEU 70 - HA SER 99 poor 16 92 25 71 6.4-9.4 10026/3.6=24...(11) QD2 LEU 119 - HA SER 99 far 5 100 5 - 5.2-10.2 QD1 LEU 53 - HA SER 99 far 0 97 0 - 7.6-13.4 QG1 VAL 63 - HA SER 99 far 0 81 0 - 8.1-10.1 QD2 LEU 49 - HA SER 99 far 0 99 0 - 9.9-12.7 Violated in 16 structures by 0.24 A. Peak 11384 from cnoeabs.peaks (0.80, 3.96, 57.71 ppm; 3.79 A): 5 out of 10 assignments used, quality = 1.00: QD1 LEU 122 + HA LEU 100 OK 91 97 100 94 3.6-5.2 10026/2.9=19, ~10337=16...(35) QD2 LEU 122 + HA LEU 100 OK 90 97 95 97 2.3-5.3 10337/3.0=28...(38) QD1 LEU 103 + HA LEU 100 OK 87 92 100 95 3.0-5.3 7476/7463=29...(32) QD1 LEU 70 + HA LEU 100 OK 45 78 65 89 4.1-7.3 9487/3266=28...(26) QG1 VAL 63 + HA LEU 100 OK 34 93 40 91 4.2-6.2 10974/3258=41...(18) QD1 LEU 96 - HA LEU 100 far 4 71 5 - 4.4-8.3 QD1 LEU 53 - HA LEU 100 far 0 100 0 - 5.5-12.3 QD2 LEU 119 - HA LEU 100 far 0 100 0 - 6.3-8.2 QD2 LEU 49 - HA LEU 100 far 0 100 0 - 6.9-10.3 QD1 ILE 32 - HA LEU 100 far 0 83 0 - 8.5-14.4 Violated in 0 structures by 0.00 A. Peak 11385 from cnoeabs.peaks (0.83, 1.82, 41.28 ppm; 4.12 A): 4 out of 11 assignments used, quality = 0.99: QD1 LEU 70 + HB2 LEU 100 OK 85 90 95 100 1.7-5.7 10000/3115=55...(42) QD2 LEU 70 + HB2 LEU 100 OK 78 78 100 99 1.7-5.4 11115/3.2=47...(42) QD1 LEU 122 + HB2 LEU 100 OK 63 63 100 100 2.4-5.5 ~10337=27, ~10337=21...(58) QD1 LEU 122 + HB3 LEU 123 OK 32 42 100 77 1.9-5.6 3899/3.9=17, ~11571=16...(28) QG2 VAL 57 - HB3 LEU 123 far 2 42 5 - 5.5-9.7 QD1 LEU 70 - HB3 LEU 123 far 0 64 0 - 5.8-12.1 QD1 LEU 98 - HB2 LEU 100 far 0 63 0 - 6.4-8.2 QD2 LEU 70 - HB3 LEU 123 far 0 54 0 - 7.2-11.1 QG2 ILE 32 - HB2 LEU 100 far 0 83 0 - 8.7-15.5 QG2 ILE 129 - HB2 LEU 100 far 0 95 0 - 8.8-10.8 QD1 LEU 98 - HB3 LEU 123 far 0 42 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 11386 from cnoeabs.peaks (0.78, 1.78, 26.11 ppm; 3.80 A): 4 out of 10 assignments used, quality = 1.00: QD2 LEU 122 + HG LEU 100 OK 94 100 95 99 2.0-5.3 3903=34, 11388/2.1=34...(52) QG1 VAL 63 + HG LEU 100 OK 89 100 90 99 3.0-5.4 10973/2.1=68...(26) QD1 LEU 122 + HG LEU 100 OK 63 71 90 99 1.8-5.6 2.1/3903=27, ~11388=20...(46) QD1 LEU 96 + HG LEU 100 OK 31 97 35 91 2.9-7.2 ~11918=32...(31) QD1 LEU 103 - HG LEU 100 far 15 100 15 - 2.4-7.5 QD1 LEU 53 - HG LEU 100 far 14 96 15 - 4.6-11.3 QD2 LEU 49 - HG LEU 100 lone 4 92 35 14 4.2-9.4 11681/11678=5...(4) QD2 LEU 119 - HG LEU 100 far 0 85 0 - 6.1-10.6 QD1 ILE 32 - HG LEU 100 far 0 100 0 - 6.5-13.0 QD1 ILE 37 - HG LEU 100 far 0 100 0 - 8.6-14.2 Violated in 1 structures by 0.00 A. Peak 11387 from cnoeabs.peaks (0.78, 0.68, 23.54 ppm; 2.50 A): 6 out of 21 assignments used, quality = 0.97: QG1 VAL 63 + QD2 LEU 100 OK 68 100 80 85 1.8-5.1 10973/2.1=27, 10974=27...(25) QD2 LEU 122 + QD2 LEU 100 OK 57 100 70 81 1.7-4.9 11388/2.1=17...(37) QD1 LEU 122 + QD2 LEU 100 OK 42 71 80 74 2.6-5.8 3.1/3261=8, ~11388=7...(32) QD2 LEU 119 + QD2 LEU 62 OK 35 50 90 77 1.8-8.4 10992/2.1=14...(31) QD1 LEU 103 + QD2 LEU 100 OK 25 100 45 56 1.7-7.2 3.2/3259=8, 11835/9397=7...(23) QD1 LEU 53 + QD2 LEU 62 OK 20 59 50 67 1.7-6.2 2.1/10338=34...(12) QD1 LEU 53 - QD2 LEU 100 far 14 96 15 - 3.4-10.5 QD2 LEU 122 - QD2 LEU 62 poor 13 65 60 32 1.8-4.9 2.1/11926=4, 9395/3.1=4...(12) QD2 LEU 49 - QD2 LEU 62 poor 10 56 45 40 3.0-5.2 2.1/10347=9, 9431/9432=7...(12) QD1 LEU 122 - QD2 LEU 62 lone 7 40 90 20 1.7-5.2 10992/2.1=4, 2.1/11926=4...(6) QD1 LEU 103 - QD2 LEU 62 far 7 66 10 - 3.6-7.7 QD1 LEU 96 - QD2 LEU 100 far 5 97 5 - 3.9-7.0 QD2 LEU 119 - QD2 LEU 100 far 0 85 0 - 4.3-8.3 QD2 LEU 49 - QD2 LEU 100 far 0 92 0 - 4.4-8.1 QG1 VAL 63 - QD2 LEU 62 far 0 66 0 - 4.5-5.8 QD1 ILE 32 - QD2 LEU 100 far 0 100 0 - 4.9-10.9 QD1 LEU 96 - QD2 LEU 62 far 0 62 0 - 5.0-7.9 QD1 ILE 32 - QD2 LEU 62 far 0 65 0 - 6.0-10.9 QD1 ILE 37 - QD2 LEU 62 far 0 66 0 - 6.8-13.9 QD1 ILE 37 - QD2 LEU 100 far 0 100 0 - 7.5-12.9 QD2 LEU 43 - QD2 LEU 62 far 0 36 0 - 9.8-12.6 Violated in 2 structures by 0.05 A. Peak 11388 from cnoeabs.peaks (0.78, 0.60, 25.62 ppm; 2.92 A): 4 out of 12 assignments used, quality = 1.00: QG1 VAL 63 + QD1 LEU 100 OK 93 100 100 93 1.8-3.8 10973=39, 10974/2.1=34...(28) QD2 LEU 122 + QD1 LEU 100 OK 92 99 100 93 2.0-4.4 3903/2.1=19, 2.1/9487=18...(48) QD1 LEU 122 + QD1 LEU 100 OK 28 63 50 89 1.8-5.1 11387/2.1=11, ~3903=10...(45) QD1 LEU 96 + QD1 LEU 100 OK 25 99 35 72 2.5-6.0 2.1/11918=22...(20) QD1 LEU 103 - QD1 LEU 100 far 10 100 10 - 3.1-7.0 QD1 LEU 53 - QD1 LEU 100 far 0 92 0 - 4.5-11.0 QD1 ILE 32 - QD1 LEU 100 far 0 100 0 - 4.6-9.7 QD2 LEU 49 - QD1 LEU 100 far 0 87 0 - 4.7-7.4 QD2 LEU 119 - QD1 LEU 100 far 0 78 0 - 5.1-9.3 QG1 VAL 93 - QD1 LEU 100 far 0 60 0 - 5.7-9.3 QD1 ILE 37 - QD1 LEU 100 far 0 100 0 - 6.9-11.8 HG12 ILE 129 - QD1 LEU 100 far 0 60 0 - 9.1-11.6 Violated in 3 structures by 0.03 A. Peak 11389 from cnoeabs.peaks (1.66, 0.60, 25.62 ppm; 4.28 A): 0 out of 10 assignments used, quality = 0.00: HB2 LEU 69 - QD1 LEU 100 poor 19 97 25 79 5.2-6.9 6941/11094=50...(9) HB2 LEU 123 - QD1 LEU 100 far 0 99 0 - 5.9-9.2 HG LEU 62 - QD1 LEU 100 far 0 97 0 - 5.9-8.7 HD3 LYS 31 - QD1 LEU 100 far 0 100 0 - 7.7-16.7 HB2 LEU 98 - QD1 LEU 100 far 0 99 0 - 7.7-9.3 HD2 LYS 31 - QD1 LEU 100 far 0 100 0 - 7.8-16.7 HD3 LYS 36 - QD1 LEU 100 far 0 96 0 - 8.2-15.3 HD2 LYS 36 - QD1 LEU 100 far 0 96 0 - 8.7-14.5 HD3 LYS 95 - QD1 LEU 100 far 0 100 0 - 9.5-12.3 HD2 LYS 95 - QD1 LEU 100 far 0 100 0 - 9.8-12.3 Violated in 20 structures by 1.13 A. Peak 11390 from cnoeabs.peaks (3.76, 1.78, 26.11 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 97 + HG LEU 100 OK 100 100 100 100 4.2-5.8 10001/2.1=100...(25) HB2 SER 99 + HG LEU 100 OK 98 100 100 98 6.3-8.2 4.5/3249=66...(14) Violated in 0 structures by 0.00 A. Peak 11392 from cnoeabs.peaks (8.48, 2.56, 33.80 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.99: H LEU 100 + HG3 GLN 101 OK 98 98 100 100 3.9-4.8 3.1/3314=96, ~3305=73...(31) H GLU 97 + HG3 GLN 101 OK 73 78 95 99 4.9-7.2 7409/3314=39...(18) H LEU 70 - HG3 GLN 101 far 0 95 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 11394 from cnoeabs.peaks (3.98, 2.56, 33.80 ppm; 5.32 A): 2 out of 7 assignments used, quality = 0.94: HA LEU 100 + HG3 GLN 101 OK 92 92 100 100 5.2-6.3 3.6/3314=89...(19) HB3 SER 99 + HG3 GLN 101 OK 33 60 95 57 5.9-6.9 4.5/11496=31...(12) HB3 SER 107 - HG3 GLN 101 poor 5 90 25 23 5.8-13.8 7445/7451=11...(5) HB2 SER 106 - HG3 GLN 101 far 0 97 0 - 7.1-13.7 HB3 SER 106 - HG3 GLN 101 far 0 100 0 - 7.3-13.3 HB3 SER 94 - HG3 GLN 101 far 0 100 0 - 8.7-11.5 HA VAL 20 - HG3 GLN 101 far 0 93 0 - 9.8-38.1 Violated in 4 structures by 0.03 A. Peak 11396 from cnoeabs.peaks (4.00, 2.21, 27.91 ppm; 4.35 A): 2 out of 15 assignments used, quality = 0.65: HA GLN 68 + HB2 GLN 68 OK 51 51 100 100 2.4-3.0 3.0=100 HA THR 65 + HB2 GLN 68 OK 29 30 100 99 2.7-4.3 3.2/10050=33...(18) HB3 SER 106 - HB2 GLN 101 far 13 89 15 - 5.1-13.5 HB2 SER 106 - HB2 GLN 101 far 9 60 15 - 5.2-12.9 HA ILE 37 - HB2 GLN 68 far 1 30 5 - 5.4-12.1 HB3 SER 99 - HB2 GLN 101 far 0 97 0 - 6.8-8.9 HA LYS 95 - HB2 GLN 101 far 0 73 0 - 6.9-9.5 HB3 SER 106 - HB2 GLN 68 far 0 40 0 - 7.6-19.7 HA LEU 103 - HB2 GLN 101 far 0 81 0 - 7.9-8.4 HB2 SER 38 - HB2 GLN 68 far 0 37 0 - 9.1-16.1 HB2 SER 106 - HB2 GLN 68 far 0 24 0 - 9.1-20.0 HA VAL 20 - HB2 GLN 68 far 0 50 0 - 9.3-25.0 HA GLN 68 - HB2 GLN 101 far 0 100 0 - 9.3-12.7 HB3 SER 94 - HB2 GLN 101 far 0 76 0 - 9.4-11.7 HA SER 60 - HB2 GLN 68 far 0 43 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 11399 from cnoeabs.peaks (1.81, 4.10, 58.80 ppm; 4.68 A): 2 out of 7 assignments used, quality = 0.99: HB2 LEU 100 + HA GLN 101 OK 93 93 100 100 4.0-5.1 1.8/10048=74...(25) HB3 LEU 103 + HA GLN 101 OK 83 92 100 90 4.8-6.1 4.6/3282=41...(16) HB3 LYS 26 - HA GLN 101 far 5 97 5 - 5.1-25.3 HB3 LEU 122 - HA GLN 101 far 0 93 0 - 6.6-8.3 HB2 LYS 86 - HA CYS 79 far 0 75 0 - 7.5-9.4 HB3 LEU 98 - HA GLN 101 far 0 76 0 - 7.7-8.2 HB ILE 32 - HA GLN 101 far 0 97 0 - 9.4-19.9 Violated in 1 structures by 0.01 A. Peak 11400 from cnoeabs.peaks (0.89, 4.10, 58.80 ppm; 4.49 A): 2 out of 9 assignments used, quality = 0.44: QD2 LEU 70 + HA GLN 101 OK 28 60 60 78 2.7-7.1 2.1/11401=22...(14) QG2 VAL 63 + HA GLN 101 OK 23 71 50 64 5.5-7.6 2.1/11401=19...(10) QD2 LEU 98 - HA GLN 101 poor 20 98 20 - 5.8-6.8 QG1 VAL 118 - HA GLN 101 far 14 93 15 - 5.6-8.1 QD1 LEU 62 - HA GLN 101 far 0 63 0 - 6.8-11.2 QD1 LEU 98 - HA GLN 101 far 0 76 0 - 7.2-8.5 QD2 LEU 69 - HA GLN 101 far 0 90 0 - 8.5-11.6 QG2 VAL 20 - HA GLN 101 far 0 99 0 - 9.0-28.4 QD2 LEU 123 - HA GLN 101 far 0 100 0 - 9.2-12.1 Violated in 12 structures by 0.58 A. Peak 11401 from cnoeabs.peaks (0.79, 4.10, 58.80 ppm; 4.52 A): 4 out of 15 assignments used, quality = 0.91: QG2 ILE 80 + HA CYS 79 OK 59 59 100 100 4.9-5.4 11214/3.0=55...(29) QD1 LEU 70 + HA GLN 101 OK 51 65 90 87 3.0-6.4 2.1/11400=41, ~10049=14...(19) QG1 VAL 63 + HA GLN 101 OK 45 98 55 83 4.2-7.0 2.1/11400=33...(15) QD1 LEU 96 + HA GLN 101 OK 20 83 35 69 4.7-8.4 11504/3278=48...(7) QD1 LEU 103 - HA GLN 101 far 10 97 10 - 4.5-7.9 QD2 LEU 122 - HA GLN 101 far 5 100 5 - 6.0-8.3 QD1 LEU 122 - HA GLN 101 far 5 92 5 - 5.9-8.5 QD1 ILE 37 - HA CYS 79 far 0 75 0 - 6.4-17.1 QD1 ILE 32 - HA GLN 101 far 0 92 0 - 6.7-15.6 QD2 LEU 49 - HA GLN 101 far 0 100 0 - 8.3-12.3 QD1 LEU 53 - HA GLN 101 far 0 100 0 - 8.8-15.4 QG2 ILE 129 - HA CYS 79 far 0 42 0 - 9.1-10.7 QD2 LEU 119 - HA GLN 101 far 0 98 0 - 9.8-12.1 QD1 ILE 37 - HA GLN 101 far 0 95 0 - 9.8-15.4 QD1 ILE 32 - HA CYS 79 far 0 72 0 - 9.9-21.0 Violated in 3 structures by 0.04 A. Peak 11402 from cnoeabs.peaks (0.88, 2.21, 27.91 ppm; 4.91 A): 3 out of 16 assignments used, quality = 0.91: QD2 LEU 98 + HB2 GLN 101 OK 80 100 80 100 3.7-6.5 10049/1.8=60...(21) QD2 LEU 70 + HB2 GLN 101 OK 40 76 55 96 3.2-8.1 11400/3.0=40...(25) QD2 LEU 69 + HB2 GLN 68 OK 25 47 55 98 4.0-7.3 11044/10050=37...(21) QD1 LEU 98 - HB2 GLN 101 poor 18 89 20 - 5.9-7.8 QG2 ILE 32 - HB2 GLN 68 poor 18 30 70 85 1.9-8.6 ~11015=32, ~11018=32...(12) QG1 VAL 118 - HB2 GLN 101 far 12 83 15 - 6.1-8.5 QD2 LEU 48 - HB2 GLN 68 poor 5 24 20 - 5.6-9.1 QD2 LEU 70 - HB2 GLN 68 far 5 32 15 - 5.5-8.4 QG2 VAL 20 - HB2 GLN 68 far 0 45 0 - 6.6-20.4 QD2 LEU 123 - HB2 GLN 68 far 0 50 0 - 7.4-11.1 QG1 VAL 20 - HB2 GLN 68 far 0 26 0 - 7.9-23.0 QG2 VAL 20 - HB2 GLN 101 far 0 96 0 - 8.2-29.1 QD2 LEU 69 - HB2 GLN 101 far 0 97 0 - 8.6-13.1 QG2 ILE 32 - HB2 GLN 101 far 0 71 0 - 8.7-18.3 QG1 VAL 118 - HB2 GLN 68 far 0 36 0 - 9.2-14.4 QD1 LEU 22 - HB2 GLN 68 far 0 42 0 - 9.3-22.9 Violated in 2 structures by 0.06 A. Peak 11403 from cnoeabs.peaks (0.98, 2.21, 27.91 ppm; 5.74 A): 2 out of 9 assignments used, quality = 0.67: QG2 VAL 105 + HB2 GLN 101 OK 46 65 70 100 4.8-8.2 10054/2.9=91, ~11503=67...(12) QG1 VAL 105 + HB2 GLN 101 OK 40 89 45 100 3.4-8.6 11503/2.9=92...(10) QG2 VAL 126 - HB2 GLN 68 poor 13 44 30 - 5.7-10.2 QG1 VAL 126 - HB2 GLN 68 far 5 36 15 - 6.3-9.1 QD2 LEU 53 - HB2 GLN 68 far 2 47 5 - 7.2-16.1 QG1 VAL 126 - HB2 GLN 101 far 0 83 0 - 7.8-11.0 QG2 VAL 126 - HB2 GLN 101 far 0 95 0 - 8.2-11.7 QG2 VAL 105 - HB2 GLN 68 far 0 27 0 - 8.4-13.7 QD2 LEU 53 - HB2 GLN 101 far 0 97 0 - 9.9-17.1 Violated in 9 structures by 0.32 A. Peak 11404 from cnoeabs.peaks (0.99, 2.30, 27.91 ppm; 6.19 A): 3 out of 6 assignments used, quality = 0.94: QG2 VAL 105 + HB3 GLN 101 OK 74 92 80 100 4.8-8.9 10054/2.9=98, ~11503=75...(10) QG2 VAL 118 + HB3 GLN 101 OK 70 81 95 91 6.4-9.1 ~10269=67, 10065/7449=53...(5) QG1 VAL 105 + HB3 GLN 101 OK 27 60 45 100 3.6-9.1 11503/2.9=89, ~10054=77...(10) QG2 VAL 126 - HB3 GLN 101 far 11 71 15 - 6.9-12.0 QD1 LEU 69 - HB3 GLN 101 far 4 83 5 - 7.4-13.2 QD2 LEU 53 - HB3 GLN 101 far 0 78 0 - 9.0-17.5 Violated in 6 structures by 0.04 A. Peak 11405 from cnoeabs.peaks (1.43, 2.42, 33.80 ppm; 6.80 A): 0 out of 9 assignments used, quality = 0.00: HG2 LYS 86 - HG2 GLN 82 far 9 57 15 - 7.1-10.7 HG2 LYS 26 - HG2 GLN 101 far 5 100 5 - 4.6-29.7 HG3 LYS 24 - HG2 GLN 101 far 5 90 5 - 7.5-33.1 HG2 LYS 26 - HG3 GLN 61 far 4 87 5 - 5.2-24.9 HG13 ILE 32 - HG3 GLN 61 far 4 83 5 - 7.4-19.6 HG3 LYS 24 - HG3 GLN 61 far 0 73 0 - 8.8-26.9 HG3 LYS 19 - HG3 GLN 61 far 0 77 0 - 9.7-35.3 QB ALA 16 - HG3 GLN 61 far 0 55 0 - 9.8-29.1 HG13 ILE 32 - HG2 GLN 101 far 0 98 0 - 10.0-22.2 Violated in 18 structures by 1.36 A. Peak 11406 from cnoeabs.peaks (1.65, 2.42, 33.80 ppm; 4.59 A): 2 out of 27 assignments used, quality = 1.00: HB2 LEU 98 + HG2 GLN 101 OK 100 100 100 100 3.8-5.9 3.1/10056=54...(34) HG LEU 62 + HG3 GLN 61 OK 70 86 90 91 3.7-8.7 9316/10936=57...(5) HG2 ARG 84 - HG2 GLN 82 poor 20 49 40 - 3.6-8.6 HG3 ARG 84 - HG2 GLN 82 poor 17 49 45 77 3.7-7.8 ~11315=21, ~11314=17...(13) HD3 LYS 86 - HG2 GLN 82 far 0 59 0 - 6.5-11.6 HD3 LYS 26 - HG2 GLN 101 far 0 100 0 - 6.9-30.3 QB ALA 88 - HG2 GLN 82 far 0 58 0 - 7.0-10.5 HB2 LEU 123 - HG3 GLN 61 far 0 87 0 - 7.2-13.2 HD2 LYS 26 - HG2 GLN 101 far 0 99 0 - 7.5-28.9 HD2 LYS 86 - HG2 GLN 82 far 0 59 0 - 7.5-11.1 HD3 LYS 95 - HG2 GLN 101 far 0 99 0 - 7.6-12.0 HD2 LYS 39 - HG2 GLN 82 far 0 36 0 - 7.6-16.8 HD3 LYS 26 - HG3 GLN 61 far 0 86 0 - 7.6-26.9 HD2 LYS 26 - HG3 GLN 61 far 0 85 0 - 7.6-27.4 HD2 LYS 19 - HG3 GLN 61 far 0 86 0 - 7.8-35.2 HG3 ARG 23 - HG3 GLN 61 far 0 51 0 - 7.8-29.0 HG3 ARG 23 - HG2 GLN 101 far 0 65 0 - 7.8-35.2 HD3 LYS 31 - HG3 GLN 61 far 0 85 0 - 8.2-25.8 HD2 LYS 24 - HG3 GLN 61 far 0 84 0 - 8.5-28.8 HD2 LYS 31 - HG3 GLN 61 far 0 84 0 - 8.7-26.5 HD2 LYS 24 - HG2 GLN 101 far 0 99 0 - 8.8-34.8 HD2 LYS 95 - HG2 GLN 101 far 0 100 0 - 8.8-12.9 HD2 LYS 31 - HG2 GLN 101 far 0 99 0 - 8.8-26.7 HD3 LYS 19 - HG3 GLN 61 far 0 86 0 - 8.8-34.6 HD3 LYS 24 - HG2 GLN 101 far 0 99 0 - 8.9-33.5 HD3 LYS 24 - HG3 GLN 61 far 0 85 0 - 9.3-28.1 HD3 LYS 31 - HG2 GLN 101 far 0 99 0 - 9.7-26.7 Violated in 7 structures by 0.12 A. Peak 11407 from cnoeabs.peaks (1.80, 2.42, 33.80 ppm; 4.62 A): 3 out of 21 assignments used, quality = 0.89: HB3 LEU 98 + HG2 GLN 101 OK 65 93 70 100 4.1-6.4 3.1/10056=55...(36) HB2 LEU 100 + HG2 GLN 101 OK 56 76 75 99 4.7-6.4 4.6/3305=57, ~10053=49...(20) HB2 ARG 84 + HG2 GLN 82 OK 29 56 60 85 3.8-7.1 ~11315=28, 11314/1.8=26...(15) HB3 ARG 135 - HG2 GLN 82 poor 9 45 60 35 3.1-11.7 ~11250=28, 9799/9796=4...(4) HB3 LEU 103 - HG2 GLN 101 far 5 99 5 - 5.6-8.2 HB3 LYS 26 - HG2 GLN 101 far 4 83 5 - 5.2-28.1 HB3 LEU 122 - HG2 GLN 101 far 0 100 0 - 6.3-10.4 HB2 LYS 86 - HG2 GLN 82 far 0 60 0 - 6.4-8.9 HB2 LEU 48 - HG3 GLN 61 far 0 70 0 - 6.5-13.2 HG LEU 100 - HG2 GLN 101 far 0 78 0 - 6.5-8.4 HB3 ARG 23 - HG2 GLN 101 far 0 73 0 - 7.1-32.3 HB3 LYS 26 - HG3 GLN 61 far 0 66 0 - 7.3-25.2 HB3 LEU 123 - HG3 GLN 61 far 0 35 0 - 8.2-14.8 HB3 LYS 19 - HG3 GLN 61 far 0 78 0 - 8.7-33.0 HB3 LYS 24 - HG3 GLN 61 far 0 75 0 - 9.2-24.8 HB ILE 32 - HG3 GLN 61 far 0 68 0 - 9.3-21.3 HB3 LYS 24 - HG2 GLN 101 far 0 92 0 - 9.4-31.4 HB VAL 93 - HG2 GLN 101 far 0 60 0 - 9.5-13.4 HG LEU 100 - HG3 GLN 61 far 0 62 0 - 9.8-12.0 HB3 LEU 122 - HG3 GLN 61 far 0 86 0 - 9.9-14.3 HB3 ARG 23 - HG3 GLN 61 far 0 57 0 - 10.0-26.6 Violated in 6 structures by 0.15 A. Peak 11408 from cnoeabs.peaks (0.97, 2.42, 33.80 ppm; 4.52 A): 3 out of 9 assignments used, quality = 0.77: QG1 VAL 57 + HG3 GLN 61 OK 55 55 100 100 2.9-4.4 2.1/10936=76...(28) QG1 VAL 105 + HG2 GLN 101 OK 28 93 30 99 3.1-9.6 10060/7438=63, ~10054=58...(14) QD2 LEU 53 + HG3 GLN 61 OK 28 85 40 82 4.2-12.5 9256/1.8=70...(6) QG2 VAL 105 - HG2 GLN 101 poor 17 57 30 - 4.0-9.5 QG1 VAL 112 - HG3 GLN 61 far 0 85 0 - 7.4-14.8 QG1 VAL 126 - HG2 GLN 101 far 0 89 0 - 8.0-11.2 QG2 VAL 126 - HG2 GLN 101 far 0 97 0 - 8.1-12.4 QG2 VAL 126 - HG3 GLN 61 far 0 82 0 - 8.2-12.3 QG1 VAL 126 - HG3 GLN 61 far 0 72 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 11409 from cnoeabs.peaks (0.81, 2.56, 33.80 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: QD1 LEU 70 + HG3 GLN 101 OK 98 99 100 99 4.3-7.4 2.1/10052=40...(25) QD2 LEU 122 + HG3 GLN 101 OK 61 73 95 87 6.2-8.8 11398/3314=32...(14) QD1 LEU 122 + HG3 GLN 101 OK 51 100 65 79 6.5-9.5 3.1/10052=28...(12) QD1 LEU 103 + HG3 GLN 101 OK 49 60 95 86 6.0-8.8 10068/7451=65...(6) QG1 VAL 63 - HG3 GLN 101 poor 14 63 50 45 6.8-9.6 11401/3278=17...(6) QD2 LEU 119 - HG3 GLN 101 far 0 97 0 - 9.5-12.6 QD1 LEU 53 - HG3 GLN 101 far 0 89 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 11411 from cnoeabs.peaks (4.21, 2.52, 34.65 ppm; 5.66 A): 1 out of 12 assignments used, quality = 0.96: HA SER 99 + HG3 GLU 102 OK 96 97 100 100 2.9-6.8 3332/3.0=91, 3207/3.0=86...(9) HA ALA 29 - HG3 GLU 44 poor 14 56 25 - 4.4-22.8 HA VAL 105 - HG3 GLU 102 far 14 90 15 - 5.7-9.3 HB THR 25 - HG3 GLU 44 far 8 79 10 - 4.6-31.2 HB THR 18 - HG3 GLU 44 far 4 72 5 - 6.6-38.7 HB3 SER 38 - HG3 GLU 44 far 0 67 0 - 7.8-10.6 HA SER 94 - HG3 GLU 102 far 0 68 0 - 8.0-12.4 HA GLU 30 - HG3 GLU 44 far 0 62 0 - 8.4-23.4 HA ALA 34 - HG3 GLU 44 far 0 64 0 - 9.4-14.0 HA HIS 67 - HG3 GLU 102 far 0 97 0 - 9.4-12.8 HA ALA 29 - HG3 GLU 102 far 0 78 0 - 9.5-24.2 HB THR 25 - HG3 GLU 102 far 0 100 0 - 9.8-33.0 Violated in 10 structures by 0.41 A. Peak 11412 from cnoeabs.peaks (1.00, 2.52, 34.65 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.64: QG2 VAL 105 + HG3 GLU 102 OK 64 99 65 100 3.4-9.4 11413/1.8=80...(10) QG2 VAL 118 - HG3 GLU 102 poor 19 95 20 - 2.7-8.6 QD1 LEU 69 - HG3 GLU 44 far 4 73 5 - 5.7-10.3 Violated in 15 structures by 1.50 A. Peak 11413 from cnoeabs.peaks (1.00, 2.36, 34.65 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.59: QG2 VAL 105 + HG2 GLU 102 OK 59 100 60 99 3.5-9.1 11506/1.8=81...(11) QG2 VAL 118 - HG2 GLU 102 poor 19 97 20 - 3.8-7.4 Violated in 15 structures by 1.64 A. Peak 11414 from cnoeabs.peaks (0.99, 2.23, 28.58 ppm; 4.83 A): 4 out of 16 assignments used, quality = 0.95: QG2 VAL 118 + HB3 GLU 102 OK 78 85 95 97 4.0-6.9 11545=72, 10065/3.8=40...(14) QG2 VAL 105 + HB3 GLU 102 OK 66 95 70 100 3.6-8.9 11508/3.0=88...(23) QD1 LEU 69 + HB2 GLN 68 OK 23 47 50 98 4.5-7.2 4.3/6921=28, ~11048=26...(23) QG2 VAL 126 + HB3 GLU 128 OK 20 56 45 81 5.5-7.9 4.4/7814=30...(13) QG2 VAL 126 - HB2 GLN 68 far 3 33 10 - 5.7-10.2 QD1 LEU 69 - HB3 GLU 97 far 3 65 5 - 6.1-12.2 QD2 LEU 53 - HB3 GLU 128 far 3 64 5 - 5.2-13.0 QG2 VAL 126 - HB3 GLU 97 far 0 46 0 - 7.0-10.7 QD2 LEU 53 - HB2 GLN 68 far 0 37 0 - 7.2-16.1 QD1 LEU 69 - HB3 GLU 128 far 0 77 0 - 7.2-10.1 QG2 VAL 105 - HB3 GLU 97 far 0 73 0 - 7.2-11.1 QG2 VAL 118 - HB3 GLU 97 far 0 63 0 - 7.3-8.8 QG2 VAL 105 - HB2 GLN 68 far 0 53 0 - 8.4-13.7 QD2 LEU 53 - HB3 GLU 102 far 0 73 0 - 9.1-17.0 QG2 VAL 126 - HB3 GLU 102 far 0 65 0 - 9.8-14.2 QD2 LEU 53 - HB3 GLU 97 far 0 53 0 - 9.9-16.6 Violated in 2 structures by 0.03 A. Peak 11415 from cnoeabs.peaks (8.08, 0.74, 25.24 ppm; 4.67 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 103 + QD2 LEU 103 OK 100 100 100 100 4.0-4.3 7477=100, 7476/2.1=88...(31) H ASN 120 + QD2 LEU 103 OK 26 100 45 57 5.1-7.7 7661/11841=25...(8) H ALA 109 + QD2 LEU 103 OK 22 100 25 88 3.2-8.6 2.9/11825=80...(9) H ALA 108 - QD2 LEU 103 far 15 100 15 - 4.7-8.1 Violated in 0 structures by 0.00 A. Peak 11416 from cnoeabs.peaks (7.90, 0.74, 25.24 ppm; 4.80 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + QD2 LEU 103 OK 100 100 100 100 2.9-4.4 7491=100, 3.6/3368=72...(32) HD22 ASN 116 + QD2 LEU 103 OK 75 83 95 96 2.5-10.8 3.5/11831=52, ~11425=45...(18) H SER 106 - QD2 LEU 103 poor 20 100 20 - 5.1-7.8 H THR 115 - QD2 LEU 103 poor 14 99 25 55 5.1-9.4 7607/11721=28...(4) Violated in 0 structures by 0.00 A. Peak 11419 from cnoeabs.peaks (0.99, 4.02, 57.03 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.94: QG2 VAL 118 + HA LEU 103 OK 85 90 95 99 2.6-8.3 2.1/11709=47...(21) QG2 VAL 105 + HA LEU 103 OK 59 97 70 86 2.4-7.3 7532/7520=41...(10) QG1 VAL 112 - HA LEU 103 far 0 68 0 - 6.5-12.8 QD2 LEU 53 - HA LEU 103 far 0 65 0 - 7.1-15.7 Violated in 1 structures by 0.01 A. Peak 11420 from cnoeabs.peaks (2.19, 1.79, 41.89 ppm; 4.54 A): 3 out of 17 assignments used, quality = 1.00: HB2 GLN 104 + HB3 LEU 103 OK 98 99 100 99 4.1-5.3 7493/7488=63...(25) HB3 GLU 97 + HB3 LEU 98 OK 58 68 100 85 3.9-6.0 4.7/7364=54, 3156/3.0=22...(12) HB3 GLN 104 + HB3 LEU 103 OK 54 65 85 98 4.1-6.1 3.9/7488=54...(22) HB2 GLN 101 - HB3 LEU 98 far 13 85 15 - 5.5-7.7 HB3 LEU 69 - HB2 LEU 48 far 3 33 10 - 5.4-11.0 HB3 LEU 69 - HB3 LEU 122 far 3 57 5 - 6.0-12.5 HB3 GLN 104 - HB3 LEU 122 far 0 65 0 - 6.1-12.0 HB3 GLU 97 - HB3 LEU 122 far 0 80 0 - 6.3-9.0 HB2 GLN 104 - HB3 LEU 122 far 0 99 0 - 6.4-10.7 HB2 GLN 101 - HB3 LEU 122 far 0 96 0 - 6.4-9.4 HB2 GLN 68 - HB2 LEU 48 far 0 44 0 - 6.4-12.0 HB2 GLN 101 - HB3 LEU 103 far 0 97 0 - 6.5-7.9 HB3 GLN 68 - HB2 LEU 48 far 0 56 0 - 7.1-12.2 HB3 GLU 97 - HB3 LEU 103 far 0 81 0 - 7.3-10.7 HB2 GLN 68 - HB3 LEU 122 far 0 73 0 - 8.4-13.6 HB3 GLN 68 - HB3 LEU 122 far 0 88 0 - 9.4-14.3 HB3 GLN 104 - HB3 LEU 98 far 0 55 0 - 9.5-14.3 Violated in 3 structures by 0.01 A. Peak 11421 from cnoeabs.peaks (1.38, 0.88, 25.36 ppm; 4.30 A): 1 out of 15 assignments used, quality = 0.21: HB3 LEU 100 + QD2 LEU 123 OK 21 100 50 43 4.8-7.5 3.2/10348=19...(5) QB ALA 29 - QD2 LEU 123 far 10 100 10 - 5.0-13.1 HB2 LEU 96 - QD2 LEU 123 far 10 100 10 - 5.4-8.1 HG LEU 96 - QD2 LEU 123 far 0 78 0 - 6.2-9.7 HG3 LYS 26 - QD2 LEU 123 far 0 99 0 - 6.4-18.3 QB ALA 108 - QD2 LEU 123 far 0 98 0 - 7.3-13.0 QB ALA 15 - QD2 LEU 123 far 0 99 0 - 7.9-26.1 QB ALA 110 - QD2 LEU 123 far 0 99 0 - 8.0-15.6 QB ALA 28 - QD2 LEU 123 far 0 99 0 - 8.2-14.6 QB ALA 16 - QD2 LEU 123 far 0 60 0 - 8.2-25.1 HG2 LYS 36 - QD2 LEU 123 far 0 100 0 - 8.8-19.7 QB ALA 109 - QD2 LEU 123 far 0 95 0 - 8.9-12.5 HG3 LYS 95 - QD2 LEU 123 far 0 97 0 - 9.4-12.6 HG2 LYS 19 - QD2 LEU 123 far 0 97 0 - 9.8-31.3 HG2 LYS 95 - QD2 LEU 123 far 0 96 0 - 10.0-12.5 Violated in 20 structures by 1.80 A. Peak 11422 from cnoeabs.peaks (0.79, 0.88, 25.36 ppm; 2.72 A): 4 out of 12 assignments used, quality = 0.97: QD2 LEU 49 + QD2 LEU 123 OK 78 100 90 86 1.7-6.1 2.1/3948=23, 2.1/3957=13...(42) QD1 LEU 122 + QD2 LEU 123 OK 54 96 100 57 1.9-4.0 3899/3944=12, 2266=8...(21) QD2 LEU 122 + QD2 LEU 123 OK 45 99 80 56 1.7-4.7 3907/3944=11...(23) QD1 LEU 53 + QD2 LEU 123 OK 42 100 85 50 1.7-4.7 3907/3944=7...(22) QD2 LEU 119 - QD2 LEU 123 poor 20 99 20 - 2.8-7.6 QD1 LEU 70 - QD2 LEU 123 far 4 73 5 - 3.9-8.7 QD1 LEU 96 - QD2 LEU 123 far 0 76 0 - 5.4-8.1 QD1 ILE 37 - QD2 LEU 123 far 0 90 0 - 5.7-13.0 QG1 VAL 63 - QD2 LEU 123 far 0 96 0 - 5.8-9.8 QD1 ILE 32 - QD2 LEU 123 far 0 87 0 - 6.2-12.0 QD1 LEU 103 - QD2 LEU 123 far 0 95 0 - 6.2-9.2 QG2 ILE 129 - QD2 LEU 123 far 0 65 0 - 7.3-10.4 Violated in 1 structures by 0.00 A. Peak 11423 from cnoeabs.peaks (3.86, 1.56, 26.63 ppm; 5.29 A): 5 out of 15 assignments used, quality = 0.94: HA LEU 123 + HG LEU 123 OK 79 79 100 100 2.9-3.8 3.7=100 HB2 SER 50 + HG LEU 123 OK 31 62 50 99 3.4-8.5 ~11874=47, ~11636=40...(22) HA LEU 123 + HG LEU 49 OK 29 34 85 99 4.4-8.0 10393/11682=42...(27) HB2 SER 50 + HG LEU 49 OK 25 25 100 100 3.9-5.5 3.9/6620=38, ~9209=35...(30) HA LEU 62 + HG LEU 123 OK 24 77 45 70 3.7-10.2 3945/2.1=20, 10950=18...(14) HB3 SER 50 - HG LEU 123 poor 18 46 40 - 4.7-9.7 HD2 PRO 117 - HG LEU 103 far 5 100 5 - 6.3-14.4 HA LEU 62 - HG LEU 49 far 5 33 15 - 6.2-8.6 HA LEU 62 - HG LEU 103 far 0 93 0 - 6.8-10.2 HB3 SER 33 - HG2 ARG 23 far 0 32 0 - 7.0-27.1 HA2 GLY 114 - HG LEU 103 far 0 76 0 - 7.2-14.1 HA2 GLY 114 - HG LEU 123 far 0 60 0 - 7.4-16.2 HA LEU 70 - HG LEU 49 far 0 25 0 - 7.9-11.1 HA LEU 123 - HG LEU 103 far 0 96 0 - 9.5-12.8 HA LEU 62 - HG2 ARG 23 far 0 29 0 - 9.5-27.2 Violated in 0 structures by 0.00 A. Peak 11424 from cnoeabs.peaks (6.59, 0.78, 24.12 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.99: HD21 ASN 59 + QD1 LEU 103 OK 99 99 100 100 1.8-4.7 1.7/11427=77, 9343=59...(14) Violated in 1 structures by 0.02 A. Peak 11425 from cnoeabs.peaks (7.00, 0.78, 24.12 ppm; 5.71 A): 1 out of 2 assignments used, quality = 0.87: HD21 ASN 116 + QD1 LEU 103 OK 87 93 95 98 2.4-8.4 11531/10069=57...(18) HD21 ASN 116 - QD1 LEU 96 far 0 59 0 - 9.5-13.4 Violated in 1 structures by 0.13 A. Peak 11426 from cnoeabs.peaks (7.55, 0.78, 24.12 ppm; 5.59 A): 1 out of 7 assignments used, quality = 0.92: H LEU 119 + QD1 LEU 103 OK 92 99 95 98 3.9-7.3 3741/10069=84...(12) H VAL 77 - QD1 LEU 96 poor 13 66 20 - 6.7-9.6 HE22 GLN 27 - QD1 LEU 103 far 5 90 5 - 5.1-23.6 HE22 GLN 27 - QD1 LEU 96 far 0 57 0 - 8.5-20.4 HE22 GLN 61 - QD1 LEU 103 far 0 98 0 - 8.5-13.2 H LEU 119 - QD1 LEU 96 far 0 66 0 - 8.9-11.4 H THR 54 - QD1 LEU 103 far 0 100 0 - 9.8-15.2 Violated in 7 structures by 0.18 A. Peak 11427 from cnoeabs.peaks (7.79, 0.78, 24.12 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: HD22 ASN 59 + QD1 LEU 103 OK 100 100 100 100 1.9-4.3 1.7/11424=78...(15) H GLY 75 - QD1 LEU 96 poor 14 69 20 - 5.4-8.1 HD22 ASN 121 - QD1 LEU 103 far 5 97 5 - 5.2-11.4 H ALA 92 - QD1 LEU 96 far 3 34 10 - 5.7-8.1 HD22 ASN 121 - QD1 LEU 96 far 0 63 0 - 5.9-11.6 Violated in 0 structures by 0.00 A. Peak 11428 from cnoeabs.peaks (6.60, 1.56, 26.63 ppm; 5.33 A): 1 out of 2 assignments used, quality = 1.00: HD21 ASN 59 + HG LEU 103 OK 100 100 100 100 1.9-5.2 11424/2.1=92, ~11427=74...(15) HD21 ASN 59 - HG LEU 123 far 0 87 0 - 9.0-17.1 Violated in 0 structures by 0.00 A. Peak 11431 from cnoeabs.peaks (1.80, 4.09, 58.10 ppm; 4.16 A): 3 out of 22 assignments used, quality = 1.00: HB3 LEU 103 + HA GLN 104 OK 99 100 100 99 4.2-5.2 7488/3.0=58...(26) HB3 LEU 98 + HA LEU 98 OK 52 52 100 100 2.5-3.0 3.0=100 HB2 LEU 48 + HA LEU 48 OK 45 45 100 100 2.2-3.0 3.0=100 HG LEU 100 - HA GLN 104 far 13 85 15 - 4.4-9.2 HB3 LYS 19 - HA LEU 48 far 2 44 5 - 3.8-36.0 HB3 LYS 26 - HA LEU 48 far 2 35 5 - 5.3-28.0 HB2 LEU 100 - HA LEU 98 far 0 32 0 - 5.8-7.0 HB3 LYS 26 - HA GLN 104 far 0 76 0 - 5.8-26.6 HB2 LEU 100 - HA GLN 104 far 0 68 0 - 5.9-9.4 HB3 ARG 23 - HA LEU 98 far 0 31 0 - 5.9-34.4 HB3 LEU 122 - HA LEU 98 far 0 57 0 - 6.5-10.4 HB3 ARG 23 - HA GLN 104 far 0 65 0 - 6.6-32.1 HB3 LYS 24 - HA LEU 48 far 0 41 0 - 6.6-28.7 HB3 LEU 103 - HA LEU 98 far 0 57 0 - 7.1-8.5 HB3 LYS 24 - HA LEU 98 far 0 44 0 - 7.4-32.6 HG LEU 100 - HA LEU 98 far 0 43 0 - 7.7-9.1 HB3 LEU 122 - HA GLN 104 far 0 100 0 - 7.7-11.3 HB3 LYS 26 - HA LEU 98 far 0 37 0 - 8.4-28.1 HB3 ARG 23 - HA LEU 48 far 0 29 0 - 8.7-30.1 HB ILE 32 - HA GLN 104 far 0 78 0 - 9.1-21.6 HB2 LYS 36 - HA LEU 48 far 0 37 0 - 9.7-19.4 HB3 LYS 24 - HA GLN 104 far 0 87 0 - 9.8-31.6 Violated in 0 structures by 0.00 A. Peak 11432 from cnoeabs.peaks (0.90, 4.09, 58.10 ppm; 4.42 A): 5 out of 25 assignments used, quality = 0.99: QG2 VAL 63 + HA GLN 104 OK 96 96 100 100 1.8-5.3 2.1/10979=64...(22) QD2 LEU 48 + HA LEU 48 OK 50 50 100 100 2.7-3.9 3.8=100 QD1 LEU 49 + HA LEU 48 OK 41 46 95 94 5.6-6.1 1581/4.9=34, 1580/3.6=30...(30) QD2 LEU 98 + HA LEU 98 OK 38 38 100 100 1.8-3.4 4.0=100 QD1 LEU 48 + HA LEU 48 OK 32 32 100 100 1.9-3.6 4.0=100 QG2 VAL 112 - HA GLN 104 poor 18 71 25 - 4.6-15.8 QG1 VAL 118 - HA GLN 104 far 15 100 15 - 4.5-10.0 QD1 LEU 62 - HA GLN 104 poor 8 92 30 27 4.4-10.1 2031/10979=15...(4) QG1 VAL 118 - HA LEU 98 far 3 58 5 - 4.5-7.9 QG2 VAL 20 - HA LEU 48 far 3 52 5 - 3.8-26.0 QG1 VAL 20 - HA LEU 48 far 3 51 5 - 1.9-25.9 QD2 LEU 69 - HA LEU 48 far 1 26 5 - 5.7-9.5 QD2 LEU 123 - HA LEU 48 far 0 46 0 - 6.5-9.7 QD1 LEU 123 - HA LEU 48 far 0 26 0 - 6.6-9.4 QG2 VAL 20 - HA LEU 98 far 0 55 0 - 6.7-32.6 QD1 LEU 22 - HA LEU 48 far 0 54 0 - 7.0-27.6 QD1 LEU 62 - HA LEU 48 far 0 45 0 - 8.1-12.5 QD1 LEU 22 - HA GLN 104 far 0 100 0 - 8.7-30.2 QG1 VAL 20 - HA LEU 98 far 0 54 0 - 8.8-35.2 QD2 LEU 123 - HA GLN 104 far 0 93 0 - 9.0-13.4 QG2 VAL 63 - HA LEU 98 far 0 51 0 - 9.1-11.0 QD2 LEU 69 - HA GLN 104 far 0 60 0 - 9.4-16.1 QD2 LEU 98 - HA GLN 104 far 0 78 0 - 9.8-11.3 QD1 LEU 62 - HA LEU 98 far 0 48 0 - 9.8-13.1 QG2 VAL 20 - HA GLN 104 far 0 99 0 - 9.9-30.4 Violated in 0 structures by 0.00 A. Peak 11433 from cnoeabs.peaks (0.80, 4.09, 58.10 ppm; 3.70 A): 2 out of 24 assignments used, quality = 0.96: QD1 LEU 103 + HA GLN 104 OK 81 89 95 97 2.6-5.4 ~7491=29, 7490/3.0=23...(23) QG1 VAL 63 + HA GLN 104 OK 81 90 90 99 1.8-5.6 10979=49, 9400/3416=39...(19) QD2 LEU 122 - HA GLN 104 far 10 96 10 - 4.7-10.8 QD1 LEU 122 - HA GLN 104 far 5 99 5 - 4.9-9.6 QD1 LEU 70 - HA LEU 98 far 2 41 5 - 5.0-7.9 QD1 ILE 32 - HA GLN 104 far 0 78 0 - 5.4-17.2 QD1 LEU 96 - HA LEU 98 far 0 31 0 - 5.9-8.4 QD2 LEU 49 - HA LEU 48 far 0 54 0 - 6.0-6.5 QD1 LEU 70 - HA GLN 104 far 0 83 0 - 6.3-10.3 QD1 ILE 32 - HA LEU 48 far 0 36 0 - 6.4-15.4 QD1 LEU 53 - HA LEU 48 far 0 53 0 - 6.7-9.3 QD2 LEU 119 - HA GLN 104 far 0 100 0 - 6.8-10.9 QD2 LEU 122 - HA LEU 98 far 0 51 0 - 7.0-9.6 QD1 LEU 122 - HA LEU 98 far 0 55 0 - 7.1-9.7 QD1 LEU 103 - HA LEU 98 far 0 45 0 - 7.9-9.6 QD1 ILE 37 - HA LEU 48 far 0 39 0 - 8.2-14.9 QD1 LEU 53 - HA GLN 104 far 0 100 0 - 8.3-16.3 QD2 LEU 119 - HA LEU 48 far 0 54 0 - 8.6-18.4 QD2 LEU 119 - HA LEU 98 far 0 57 0 - 8.6-13.4 QG1 VAL 63 - HA LEU 98 far 0 47 0 - 8.8-11.1 QD1 LEU 96 - HA GLN 104 far 0 65 0 - 9.0-13.4 QD1 LEU 122 - HA LEU 48 far 0 52 0 - 9.1-11.9 QD2 LEU 122 - HA LEU 48 far 0 48 0 - 9.1-13.2 QD2 LEU 49 - HA GLN 104 far 0 100 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. Peak 11434 from cnoeabs.peaks (0.95, 2.19, 29.39 ppm; 4.74 A): 1 out of 9 assignments used, quality = 0.99: QG1 VAL 105 + HB2 GLN 104 OK 99 99 100 100 3.8-5.2 10085/3.0=80...(10) QG2 VAL 112 - HB2 GLN 104 far 6 63 10 - 4.8-18.0 QG1 VAL 112 - HB2 GLN 104 far 5 90 5 - 5.5-16.4 QG1 VAL 126 - HB2 GLN 104 far 0 100 0 - 7.6-11.6 QD1 LEU 119 - HB2 GLN 104 far 0 97 0 - 8.2-12.3 QD2 LEU 53 - HB2 GLN 104 far 0 92 0 - 8.6-15.6 QG2 ILE 37 - HB2 GLN 104 far 0 90 0 - 8.9-18.5 QG2 VAL 126 - HB2 GLN 104 far 0 96 0 - 9.0-12.6 QD1 LEU 48 - HB2 GLN 104 far 0 63 0 - 9.7-18.7 Violated in 10 structures by 0.09 A. Peak 11435 from cnoeabs.peaks (0.78, 2.19, 29.39 ppm; 5.05 A): 2 out of 10 assignments used, quality = 1.00: QG1 VAL 63 + HB2 GLN 104 OK 100 100 100 100 1.8-4.6 9400/3.0=87, 9401/3.0=84...(39) QD1 LEU 103 + HB2 GLN 104 OK 95 100 95 100 1.9-6.9 ~11828=51, ~11717=51...(30) QD1 LEU 122 - HB2 GLN 104 poor 18 73 25 - 3.8-10.0 QD2 LEU 122 - HB2 GLN 104 poor 9 100 30 31 4.5-10.0 10337/11445=11...(8) QD1 ILE 32 - HB2 GLN 104 lone 1 99 25 3 4.4-15.4 10849/3.0=1 QD2 LEU 119 - HB2 GLN 104 far 0 87 0 - 7.4-11.8 QD1 LEU 96 - HB2 GLN 104 far 0 97 0 - 7.6-12.3 QD2 LEU 49 - HB2 GLN 104 far 0 93 0 - 8.2-11.8 QD1 LEU 53 - HB2 GLN 104 far 0 97 0 - 8.7-15.1 QD1 ILE 37 - HB2 GLN 104 far 0 100 0 - 9.8-17.7 Violated in 0 structures by 0.00 A. Peak 11436 from cnoeabs.peaks (0.78, 2.22, 29.39 ppm; 4.68 A): 2 out of 9 assignments used, quality = 1.00: QG1 VAL 63 + HB3 GLN 104 OK 100 100 100 100 1.8-4.4 9400/3.0=79...(35) QD1 LEU 103 + HB3 GLN 104 OK 80 100 80 100 2.7-7.0 2.1/11717=60, ~11828=44...(29) QD2 LEU 122 - HB3 GLN 104 poor 20 99 20 - 4.0-11.0 QD1 ILE 32 - HB3 GLN 104 far 15 100 15 - 5.5-15.8 QD1 LEU 122 - HB3 GLN 104 far 3 65 5 - 4.0-10.7 QD1 LEU 96 - HB3 GLN 104 far 0 99 0 - 7.4-13.3 QD2 LEU 119 - HB3 GLN 104 far 0 81 0 - 7.6-12.3 QD2 LEU 49 - HB3 GLN 104 far 0 89 0 - 8.2-12.9 QD1 LEU 53 - HB3 GLN 104 far 0 93 0 - 8.8-16.6 Violated in 0 structures by 0.00 A. Peak 11437 from cnoeabs.peaks (0.92, 2.22, 29.39 ppm; 4.60 A): 1 out of 10 assignments used, quality = 0.99: QG2 VAL 63 + HB3 GLN 104 OK 99 99 100 100 1.9-4.9 11521/3.0=81...(29) QD1 LEU 62 - HB3 GLN 104 poor 20 100 20 - 4.8-10.1 QG1 VAL 118 - HB3 GLN 104 far 13 87 15 - 3.8-11.0 QG2 VAL 112 - HB3 GLN 104 lone 1 99 25 3 4.6-18.0 10077/7512=1 QD1 LEU 119 - HB3 GLN 104 far 0 73 0 - 9.1-12.5 QD1 LEU 48 - HB3 GLN 104 far 0 99 0 - 9.2-19.8 QD1 LEU 22 - HB3 GLN 104 far 0 76 0 - 9.2-29.7 QD2 LEU 48 - HB3 GLN 104 far 0 98 0 - 9.7-17.9 QD1 LEU 49 - HB3 GLN 104 far 0 100 0 - 9.9-14.6 QG2 ILE 37 - HB3 GLN 104 far 0 87 0 - 9.9-19.4 Violated in 1 structures by 0.02 A. Peak 11438 from cnoeabs.peaks (0.99, 2.22, 29.39 ppm; 4.76 A): 2 out of 7 assignments used, quality = 0.96: QG2 VAL 105 + HB3 GLN 104 OK 88 89 100 100 2.3-5.6 11457/3.0=66...(9) QG1 VAL 105 + HB3 GLN 104 OK 65 65 100 99 3.3-6.1 11516/1.8=73...(9) QG1 VAL 112 - HB3 GLN 104 poor 17 85 20 - 5.9-16.5 QG2 VAL 118 - HB3 GLN 104 far 11 76 15 - 5.1-13.3 QD1 LEU 69 - HB3 GLN 104 far 0 78 0 - 7.3-14.9 QD2 LEU 53 - HB3 GLN 104 far 0 83 0 - 8.9-16.8 QG2 VAL 126 - HB3 GLN 104 far 0 76 0 - 9.1-13.4 Violated in 4 structures by 0.05 A. Peak 11439 from cnoeabs.peaks (1.00, 2.38, 34.44 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 105 + HG2 GLN 104 OK 100 100 100 100 2.3-5.9 11457=89, 2.1/10085=58...(12) QG2 VAL 118 - HG2 GLN 104 far 5 97 5 - 5.7-13.7 QD1 LEU 69 - HG2 GLU 128 far 0 78 0 - 6.9-11.1 QD1 LEU 69 - HG2 GLN 104 far 0 97 0 - 8.9-14.7 Violated in 4 structures by 0.16 A. Peak 11440 from cnoeabs.peaks (0.91, 2.38, 34.44 ppm; 3.79 A): 1 out of 12 assignments used, quality = 1.00: QG2 VAL 63 + HG2 GLN 104 OK 100 100 100 100 1.8-4.9 10960=93, 11442/1.8=74...(27) QD1 LEU 62 - HG2 GLN 104 far 15 100 15 - 4.9-10.2 QG2 VAL 112 - HG2 GLN 104 far 10 98 10 - 4.6-17.0 QG1 VAL 118 - HG2 GLN 104 far 9 92 10 - 4.6-11.5 QD1 LEU 123 - HG2 GLU 128 far 0 74 0 - 6.7-10.7 QD1 LEU 49 - HG2 GLU 128 far 0 83 0 - 7.2-9.2 QD1 LEU 119 - HG2 GLN 104 far 0 65 0 - 7.5-13.6 QD1 LEU 22 - HG2 GLN 104 far 0 83 0 - 9.3-28.8 QD1 LEU 123 - HG2 GLN 104 far 0 95 0 - 9.4-16.6 QG2 VAL 20 - HG2 GLN 104 far 0 76 0 - 9.5-28.2 QD1 LEU 49 - HG2 GLN 104 far 0 100 0 - 9.9-13.9 QG1 VAL 118 - HG2 GLU 128 far 0 71 0 - 10.0-13.8 Violated in 12 structures by 0.29 A. Peak 11441 from cnoeabs.peaks (0.78, 2.38, 34.44 ppm; 3.84 A): 2 out of 18 assignments used, quality = 1.00: QG1 VAL 63 + HG2 GLN 104 OK 99 99 100 100 1.9-4.0 9400=99, 2.1/11521=76...(24) QD1 LEU 103 + HG2 GLN 104 OK 38 100 40 95 2.0-7.3 2.1/11828=50...(17) HG12 ILE 129 - HG2 GLU 128 poor 19 48 40 - 2.1-7.3 QD1 ILE 32 - HG2 GLN 104 far 5 100 5 - 4.6-16.5 QD2 LEU 122 - HG2 GLN 104 far 5 97 5 - 4.6-11.0 QD2 LEU 96 - HG2 GLU 128 far 5 45 10 - 4.8-10.7 QD1 LEU 96 - HG2 GLU 128 far 4 82 5 - 5.3-11.0 QD2 LEU 119 - HG2 GLN 104 far 0 73 0 - 6.6-13.6 QD2 LEU 122 - HG2 GLU 128 far 0 78 0 - 6.9-12.4 QD1 LEU 53 - HG2 GLU 128 far 0 68 0 - 7.1-10.8 QG1 VAL 93 - HG2 GLU 128 far 0 48 0 - 7.2-11.9 QD2 LEU 43 - HG2 GLU 128 far 0 58 0 - 7.3-10.2 QD2 LEU 49 - HG2 GLU 128 far 0 62 0 - 8.0-10.8 QD1 LEU 53 - HG2 GLN 104 far 0 89 0 - 8.0-16.7 QD2 LEU 96 - HG2 GLN 104 far 0 63 0 - 8.1-13.4 QD1 LEU 96 - HG2 GLN 104 far 0 100 0 - 8.6-12.7 QD2 LEU 49 - HG2 GLN 104 far 0 83 0 - 8.8-12.6 QG1 VAL 93 - HG2 GLN 104 far 0 65 0 - 10.0-14.9 Violated in 5 structures by 0.03 A. Peak 11442 from cnoeabs.peaks (0.92, 2.47, 34.44 ppm; 3.75 A): 1 out of 10 assignments used, quality = 0.93: QG2 VAL 63 + HG3 GLN 104 OK 93 97 95 100 2.0-5.3 11521/1.8=78...(25) QG2 VAL 112 - HG3 GLN 104 far 10 100 10 - 4.1-18.4 QD1 LEU 62 - HG3 GLN 104 far 5 99 5 - 4.9-9.9 QG1 VAL 118 - HG3 GLN 104 far 4 81 5 - 5.1-11.3 QD1 LEU 119 - HG3 GLN 104 far 0 81 0 - 6.8-13.3 QG2 VAL 20 - HG3 GLN 104 far 0 60 0 - 8.9-28.6 QD1 LEU 123 - HG3 GLN 104 far 0 99 0 - 9.2-16.5 QG1 VAL 20 - HG3 GLN 104 far 0 95 0 - 9.5-31.1 QG2 ILE 37 - HG3 GLN 104 far 0 92 0 - 9.5-19.1 QD1 LEU 49 - HG3 GLN 104 far 0 99 0 - 9.5-14.4 Violated in 14 structures by 0.62 A. Peak 11443 from cnoeabs.peaks (0.79, 2.47, 34.44 ppm; 3.79 A): 2 out of 10 assignments used, quality = 1.00: QG1 VAL 63 + HG3 GLN 104 OK 100 100 100 100 1.9-4.5 9401=80, 9400/1.8=73...(22) QD1 LEU 103 + HG3 GLN 104 OK 37 100 40 93 1.7-8.0 ~11828=38, 7490/7496=25...(14) QD2 LEU 122 - HG3 GLN 104 far 5 100 5 - 4.8-11.1 QD1 ILE 32 - HG3 GLN 104 far 5 97 5 - 4.3-16.1 QD1 LEU 122 - HG3 GLN 104 far 4 83 5 - 5.1-11.2 QD2 LEU 119 - HG3 GLN 104 far 0 93 0 - 6.2-13.1 QD1 LEU 96 - HG3 GLN 104 far 0 92 0 - 7.7-13.3 QD2 LEU 49 - HG3 GLN 104 far 0 97 0 - 8.2-13.2 QD1 LEU 53 - HG3 GLN 104 far 0 99 0 - 8.8-16.5 QD1 ILE 37 - HG3 GLN 104 far 0 99 0 - 9.2-18.5 Violated in 12 structures by 0.17 A. Peak 11445 from cnoeabs.peaks (1.38, 2.19, 29.39 ppm; 6.70 A): 3 out of 11 assignments used, quality = 0.95: HB3 LEU 100 + HB2 GLN 104 OK 89 100 90 99 4.2-8.8 ~10025=61, ~10025=58...(21) QB ALA 108 + HB2 GLN 104 OK 39 100 55 71 4.3-10.3 10076/7511=52...(4) QB ALA 109 + HB2 GLN 104 OK 21 99 35 60 2.5-12.1 10076/7511=27...(5) HG3 LYS 26 - HB2 GLN 104 far 5 100 5 - 6.4-24.1 HG LEU 96 - HB2 GLN 104 far 4 89 5 - 8.1-14.0 QB ALA 29 - HB2 GLN 104 lone 1 100 30 4 4.7-16.4 10076/7511=1 QB ALA 110 - HB2 GLN 104 lone 1 100 30 3 6.7-14.4 QB ALA 28 - HB2 GLN 104 lone 1 100 25 3 5.5-18.8 HB2 LEU 96 - HB2 GLN 104 far 0 100 0 - 9.2-14.1 QB ALA 15 - HB2 GLN 104 far 0 100 0 - 9.5-36.8 HG2 LYS 24 - HB2 GLN 104 far 0 100 0 - 9.6-32.6 Violated in 6 structures by 0.23 A. Peak 11446 from cnoeabs.peaks (0.65, 2.38, 34.44 ppm; 5.69 A): 2 out of 5 assignments used, quality = 0.89: QD1 ILE 129 + HG2 GLU 128 OK 74 74 100 100 2.8-7.1 9944/10446=79...(17) QD2 LEU 100 + HG2 GLN 104 OK 58 71 95 86 1.9-7.6 10974/9400=40...(11) QD2 LEU 62 - HG2 GLN 104 poor 16 78 20 - 5.8-9.6 QD1 LEU 42 - HG2 GLU 128 far 0 62 0 - 7.7-12.0 QD2 LEU 62 - HG2 GLU 128 far 0 58 0 - 9.9-14.0 Violated in 2 structures by 0.04 A. Peak 11448 from cnoeabs.peaks (8.23, 0.96, 20.99 ppm; 5.27 A): 1 out of 7 assignments used, quality = 0.99: H SER 107 + QG1 VAL 105 OK 99 99 100 100 5.0-6.1 7543/7538=83...(12) H ALA 29 - QG1 VAL 105 far 8 78 10 - 5.3-21.9 H VAL 63 - QG1 VAL 112 far 4 41 10 - 5.7-13.8 H SER 107 - QG1 VAL 112 far 0 66 0 - 8.5-14.2 H LYS 31 - QG1 VAL 105 far 0 99 0 - 8.8-21.9 H VAL 63 - QG1 VAL 105 far 0 71 0 - 9.1-11.7 H ARG 23 - QG1 VAL 105 far 0 85 0 - 9.4-31.9 Violated in 10 structures by 0.14 A. Peak 11449 from cnoeabs.peaks (8.06, 1.00, 20.13 ppm; 4.75 A): 2 out of 5 assignments used, quality = 0.85: H ALA 108 + QG2 VAL 105 OK 70 73 100 96 2.4-6.2 2.9/10084=62...(15) H LEU 103 + QG2 VAL 105 OK 49 71 70 99 3.1-7.1 3.6/11508=69...(14) H ALA 109 - QG2 VAL 105 poor 15 68 30 74 3.9-9.4 3.7/10084=54...(6) H VAL 20 - QG2 VAL 105 far 0 99 0 - 7.5-35.8 H ALA 16 - QG2 VAL 105 far 0 65 0 - 8.1-37.1 Violated in 0 structures by 0.00 A. Peak 11451 from cnoeabs.peaks (7.37, 1.00, 20.13 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.44: HE22 GLN 101 + QG2 VAL 105 OK 44 98 45 99 4.1-10.3 10060/2.1=83, ~10058=59...(7) Violated in 18 structures by 2.42 A. Peak 11452 from cnoeabs.peaks (7.29, 1.00, 20.13 ppm; 4.84 A): 0 out of 0 assignments used, quality = 0.00: Peak 11453 from cnoeabs.peaks (6.78, 1.00, 20.13 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.52: HE21 GLN 101 + QG2 VAL 105 OK 52 95 55 100 4.2-11.1 1.7/11451=96...(7) Violated in 16 structures by 1.91 A. Peak 11454 from cnoeabs.peaks (8.09, 4.19, 62.60 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.69: H LEU 103 + HA VAL 105 OK 52 99 55 95 5.6-7.0 7519/3.0=46, ~7520=39...(11) H ALA 108 + HA VAL 105 OK 36 99 40 90 5.7-8.0 11450/7536=38...(7) H THR 25 - HA VAL 105 far 0 92 0 - 7.2-33.6 H ALA 109 - HA VAL 105 far 0 100 0 - 7.7-11.4 Violated in 20 structures by 0.76 A. Peak 11455 from cnoeabs.peaks (1.69, 1.00, 20.13 ppm; 4.28 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 70 - QG2 VAL 105 far 0 81 0 - 8.6-11.8 HB3 LEU 70 - QG2 VAL 105 far 0 73 0 - 8.9-11.3 HG LEU 98 - QG2 VAL 105 far 0 85 0 - 9.0-13.8 Violated in 20 structures by 4.16 A. Peak 11456 from cnoeabs.peaks (2.10, 1.00, 20.13 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.65: HB2 GLU 102 + QG2 VAL 105 OK 65 93 70 100 2.4-8.6 3.0/11508=65...(17) HB VAL 112 - QG2 VAL 105 far 0 78 0 - 7.3-15.2 Violated in 11 structures by 1.34 A. Peak 11457 from cnoeabs.peaks (2.39, 1.00, 20.13 ppm; 3.87 A): 1 out of 3 assignments used, quality = 0.88: HG2 GLN 104 + QG2 VAL 105 OK 88 93 95 99 2.3-5.9 10085/2.1=71, 11439=58...(11) HG2 GLN 101 - QG2 VAL 105 poor 14 57 25 - 4.0-9.5 HG3 GLU 97 - QG2 VAL 105 far 0 65 0 - 8.0-12.7 Violated in 15 structures by 0.48 A. Peak 11458 from cnoeabs.peaks (4.45, 1.00, 20.13 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.99: HA SER 106 + QG2 VAL 105 OK 99 99 100 100 3.2-4.4 11466=99, 2.9/7539=86...(20) HA ASP 64 - QG2 VAL 105 far 0 99 0 - 6.5-11.4 HA PRO 58 - QG2 VAL 105 far 0 100 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 11459 from cnoeabs.peaks (3.96, 1.00, 20.13 ppm; 4.26 A): 3 out of 11 assignments used, quality = 1.00: HB2 SER 106 + QG2 VAL 105 OK 99 100 100 100 2.8-4.4 3.0/11466=67...(18) HB3 SER 106 + QG2 VAL 105 OK 88 89 100 100 2.9-4.8 3.0/11466=67...(21) HB3 SER 107 + QG2 VAL 105 OK 41 100 45 90 5.1-7.3 ~10110=38, ~10110=36...(13) HA LEU 100 - QG2 VAL 105 far 5 100 5 - 5.5-8.0 HA2 GLY 111 - QG2 VAL 105 far 0 57 0 - 5.8-13.0 HA2 GLY 17 - QG2 VAL 105 far 0 100 0 - 6.5-38.1 HA3 GLY 111 - QG2 VAL 105 far 0 90 0 - 6.5-13.7 HA3 GLY 17 - QG2 VAL 105 far 0 100 0 - 6.7-36.6 HD3 PRO 117 - QG2 VAL 105 far 0 98 0 - 6.8-13.8 HA VAL 20 - QG2 VAL 105 far 0 60 0 - 7.1-33.4 HD3 PRO 113 - QG2 VAL 105 far 0 73 0 - 7.6-16.0 Violated in 0 structures by 0.00 A. Peak 11460 from cnoeabs.peaks (8.31, 4.46, 58.89 ppm; 3.93 A): 0 out of 8 assignments used, quality = 0.00: H GLY 111 - HA SER 106 poor 20 100 20 - 4.1-15.1 H ALA 110 - HA SER 106 far 5 99 5 - 4.5-12.6 H GLY 17 - HA SER 106 far 0 95 0 - 5.8-49.1 H ALA 28 - HA SER 106 far 0 83 0 - 7.0-27.7 H ALA 21 - HA SER 106 far 0 100 0 - 7.7-45.1 H SER 99 - HA SER 106 far 0 92 0 - 8.7-15.3 H LEU 69 - HA SER 106 far 0 99 0 - 8.8-18.6 H TYR 72 - HA SER 106 far 0 92 0 - 9.4-20.9 Violated in 20 structures by 2.98 A. Peak 11461 from cnoeabs.peaks (8.06, 4.46, 58.89 ppm; 4.80 A): 2 out of 4 assignments used, quality = 0.88: H ALA 108 + HA SER 106 OK 84 85 100 98 3.9-6.0 4.3/7546=72...(16) H ALA 109 + HA SER 106 OK 25 81 40 76 4.6-9.3 3.7/11465=47...(10) H LEU 103 - HA SER 106 poor 17 83 20 - 6.0-9.3 H VAL 20 - HA SER 106 far 0 100 0 - 7.5-46.4 Violated in 5 structures by 0.18 A. Peak 11462 from cnoeabs.peaks (7.60, 3.97, 63.90 ppm; 6.29 A): 3 out of 6 assignments used, quality = 0.91: H VAL 105 + HB2 SER 106 OK 73 78 100 93 4.6-6.0 7535/4.0=77...(6) H VAL 105 + HB3 SER 106 OK 58 62 100 94 4.7-6.0 7535/4.0=77...(7) H VAL 105 + HB3 SER 107 OK 24 53 90 50 5.0-7.9 7519/4.7=19...(5) HD21 ASN 13 - HB2 SER 106 far 0 100 0 - 8.6-50.8 HD21 ASN 13 - HB3 SER 106 far 0 87 0 - 8.9-51.1 HD21 ASN 120 - HB3 SER 107 far 0 75 0 - 9.4-21.5 Violated in 0 structures by 0.00 A. Peak 11463 from cnoeabs.peaks (7.60, 3.98, 63.90 ppm; 5.55 A): 2 out of 6 assignments used, quality = 0.96: H VAL 105 + HB3 SER 106 OK 87 90 100 96 4.7-6.0 7535/4.0=81...(7) H VAL 105 + HB2 SER 106 OK 69 73 100 94 4.6-6.0 7535/4.0=81...(6) H VAL 105 - HB3 SER 107 poor 10 37 60 44 5.0-7.9 7519/4.7=20...(5) HD21 ASN 13 - HB2 SER 106 far 0 85 0 - 8.6-50.8 HD21 ASN 13 - HB3 SER 106 far 0 99 0 - 8.9-51.1 HD21 ASN 120 - HB3 SER 107 far 0 46 0 - 9.4-21.5 Violated in 0 structures by 0.00 A. Peak 11465 from cnoeabs.peaks (1.37, 4.46, 58.89 ppm; 4.23 A): 1 out of 12 assignments used, quality = 0.26: QB ALA 108 + HA SER 106 OK 26 93 30 91 3.6-7.1 2.9/11461=40...(13) QB ALA 109 - HA SER 106 poor 10 87 25 48 5.0-9.1 10084/11466=12...(11) QB ALA 110 - HA SER 106 far 10 96 10 - 3.9-12.2 QB ALA 29 - HA SER 106 far 5 97 5 - 4.7-21.2 QB ALA 15 - HA SER 106 far 5 96 5 - 4.0-42.5 QB ALA 21 - HA SER 106 far 0 60 0 - 5.9-38.0 QB ALA 28 - HA SER 106 far 0 95 0 - 6.0-23.5 HB3 LEU 100 - HA SER 106 far 0 98 0 - 7.8-13.1 QB ALA 12 - HA SER 106 far 0 97 0 - 8.0-43.9 HG3 LYS 26 - HA SER 106 far 0 97 0 - 8.1-30.8 HG3 LYS 31 - HA SER 106 far 0 83 0 - 8.7-29.4 HG LEU 96 - HA SER 106 far 0 65 0 - 8.8-17.8 Violated in 19 structures by 1.75 A. Peak 11466 from cnoeabs.peaks (1.00, 4.46, 58.89 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 105 + HA SER 106 OK 100 100 100 100 3.2-4.4 11530=93, 7539/2.9=65...(19) QG2 VAL 118 - HA SER 106 far 0 99 0 - 6.4-11.0 QD1 LEU 69 - HA SER 106 far 0 99 0 - 10.0-18.3 Violated in 14 structures by 0.17 A. Peak 11467 from cnoeabs.peaks (0.90, 4.46, 58.89 ppm; 4.64 A): 0 out of 8 assignments used, quality = 0.00: QG2 VAL 63 - HA SER 106 far 9 95 10 - 4.8-9.2 QG2 VAL 112 - HA SER 106 far 7 68 10 - 5.8-15.7 QD1 LEU 22 - HA SER 106 far 5 100 5 - 4.9-35.4 QG1 VAL 20 - HA SER 106 far 5 97 5 - 5.7-38.4 QG2 VAL 20 - HA SER 106 far 0 99 0 - 6.2-35.8 QD1 LEU 62 - HA SER 106 far 0 90 0 - 6.7-12.9 QD2 LEU 98 - HA SER 106 far 0 81 0 - 7.0-14.4 QG1 VAL 118 - HA SER 106 far 0 100 0 - 8.4-11.5 Violated in 20 structures by 1.59 A. Peak 11468 from cnoeabs.peaks (0.73, 4.46, 58.89 ppm; 5.80 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 103 - HA SER 106 far 5 99 5 - 6.9-9.4 QD2 LEU 96 - HA SER 106 far 0 90 0 - 7.7-15.4 QG1 VAL 93 - HA SER 106 far 0 89 0 - 9.7-17.9 Violated in 20 structures by 1.90 A. Peak 11470 from cnoeabs.peaks (1.14, 3.96, 63.62 ppm; 5.09 A): 0 out of 8 assignments used, quality = 0.00: HB3 LEU 62 - HB2 SER 106 far 4 72 5 - 6.4-15.8 QG2 THR 115 - HB3 SER 106 far 0 46 0 - 7.2-13.8 QG2 THR 115 - HB3 SER 107 far 0 100 0 - 7.3-14.7 HB3 LEU 62 - HB3 SER 106 far 0 43 0 - 7.3-16.2 QG2 THR 115 - HB2 SER 106 far 0 76 0 - 7.5-13.8 HG12 ILE 32 - HB3 SER 107 far 0 65 0 - 7.7-22.1 HB3 LEU 62 - HB3 SER 107 far 0 98 0 - 8.2-14.9 HG12 ILE 32 - HB3 SER 106 far 0 24 0 - 9.7-27.2 Violated in 20 structures by 2.48 A. Peak 11473 from cnoeabs.peaks (2.06, 3.96, 63.62 ppm; 5.28 A): 1 out of 26 assignments used, quality = 0.30: HB VAL 118 + HB3 SER 107 OK 30 100 30 99 4.1-14.6 2.1/11853=94, ~10272=48...(11) HG2 PRO 117 - HB3 SER 107 poor 20 100 20 - 5.3-19.9 HB2 GLU 102 - HB2 SER 106 poor 16 45 35 - 3.1-11.2 HG3 PRO 117 - HB3 SER 107 far 10 100 10 - 5.4-19.7 HB2 GLU 102 - HB3 SER 106 poor 8 25 30 - 3.1-12.4 HB2 GLU 102 - HB3 SER 107 poor 6 68 30 29 4.6-14.8 4.6/7463=12, 3.8/7445=12...(5) HG3 PRO 113 - HB3 SER 107 far 5 100 5 - 5.4-20.5 QE MET 11 - HB3 SER 107 far 5 92 5 - 4.3-44.1 HB3 GLN 27 - HB2 SER 106 far 4 75 5 - 6.7-30.5 QE MET 11 - HB2 SER 106 far 3 65 5 - 6.2-48.2 HB3 GLN 27 - HB3 SER 106 far 2 45 5 - 6.0-30.5 QE MET 11 - HB3 SER 106 far 2 38 5 - 5.3-48.5 HB3 GLN 27 - HB3 SER 107 lone 0 100 25 1 4.6-25.9 HB VAL 118 - HB3 SER 106 far 0 46 0 - 7.8-14.3 HB2 LEU 62 - HB2 SER 106 far 0 76 0 - 8.1-17.3 HB VAL 118 - HB2 SER 106 far 0 76 0 - 8.2-14.1 HG2 PRO 58 - HB2 SER 106 far 0 39 0 - 8.6-21.0 HG2 PRO 117 - HB2 SER 106 far 0 76 0 - 8.7-19.0 HB2 LEU 62 - HB3 SER 106 far 0 46 0 - 8.8-17.7 HG2 PRO 117 - HB3 SER 106 far 0 46 0 - 8.8-19.7 HG3 PRO 113 - HB3 SER 106 far 0 45 0 - 9.0-20.8 HG3 PRO 113 - HB2 SER 106 far 0 75 0 - 9.1-20.9 HG3 PRO 117 - HB2 SER 106 far 0 75 0 - 9.1-19.4 HG3 PRO 58 - HB2 SER 106 far 0 63 0 - 9.3-19.5 HB2 LEU 62 - HB3 SER 107 far 0 100 0 - 9.5-16.4 HG3 PRO 117 - HB3 SER 106 far 0 45 0 - 9.5-20.0 Violated in 15 structures by 5.30 A. Peak 11475 from cnoeabs.peaks (6.59, 4.39, 58.42 ppm; 5.13 A): 0 out of 1 assignment used, quality = 0.00: HD21 ASN 59 - HA SER 107 far 15 99 15 - 6.0-11.2 Violated in 20 structures by 3.17 A. Peak 11479 from cnoeabs.peaks (8.02, 2.12, 32.23 ppm; 4.30 A): 0 out of 2 assignments used, quality = 0.00: H ALA 16 - HB VAL 112 far 10 99 10 - 4.4-50.0 H VAL 57 - HB VAL 112 far 0 89 0 - 6.4-15.0 Violated in 20 structures by 5.76 A. Peak 11480 from cnoeabs.peaks (8.55, 2.12, 32.23 ppm; 6.51 A): 1 out of 1 assignment used, quality = 0.96: H GLY 114 + HB VAL 112 OK 96 96 100 100 6.1-7.5 11492/2.1=94...(8) Violated in 17 structures by 0.44 A. Peak 11488 from cnoeabs.peaks (0.79, 1.38, 19.17 ppm; 3.10 A): 2 out of 60 assignments used, quality = 0.87: QD1 ILE 32 + QB ALA 29 OK 81 84 100 96 1.8-3.8 10737/2.1=41...(26) QG1 VAL 63 + QB ALA 108 OK 32 97 45 74 1.8-9.9 10980/11883=27, 10964=20...(12) QG1 VAL 63 - QB ALA 29 poor 19 93 20 - 3.1-10.3 QG1 VAL 63 - QB ALA 109 poor 11 82 30 43 1.7-11.8 2.1/10971=13...(10) QD1 LEU 103 - QB ALA 109 poor 10 81 30 43 3.1-7.8 2.1/11825=29...(6) QD1 LEU 103 - QB ALA 108 far 10 96 10 - 2.8-7.5 QD1 LEU 103 - QB ALA 110 far 10 95 10 - 1.8-9.4 QD1 ILE 32 - QB ALA 28 poor 9 86 25 41 4.0-6.3 10776/2.1=9, 934/3.7=7...(12) QD2 LEU 119 - QB ALA 108 far 5 99 5 - 4.6-11.6 QD1 LEU 53 - QB ALA 29 far 5 98 5 - 4.6-16.8 QG1 VAL 63 - QB ALA 28 far 5 94 5 - 2.2-13.1 QD2 LEU 119 - QB ALA 109 far 4 86 5 - 2.1-10.9 QD1 LEU 70 - QB ALA 29 far 3 67 5 - 2.8-11.9 QD2 LEU 49 - QB ALA 29 lone 0 98 25 1 2.4-11.3 QD1 ILE 37 - QB ALA 29 far 0 88 0 - 4.8-9.6 QD2 LEU 119 - QB ALA 110 far 0 99 0 - 4.9-11.0 QG1 VAL 63 - QB ALA 110 far 0 96 0 - 5.3-12.9 QD2 LEU 122 - QB ALA 108 far 0 99 0 - 5.4-11.8 QD1 LEU 96 - QB ALA 29 far 0 74 0 - 5.6-11.8 QD1 LEU 122 - QB ALA 110 far 0 94 0 - 5.8-13.3 QD1 LEU 103 - QB ALA 15 far 0 95 0 - 6.0-31.9 QD1 LEU 70 - QB ALA 108 far 0 71 0 - 6.1-13.2 QD2 LEU 119 - QB ALA 29 far 0 96 0 - 6.1-14.8 QD1 LEU 122 - QB ALA 109 far 0 79 0 - 6.1-11.8 QD2 LEU 49 - QB ALA 28 far 0 99 0 - 6.1-13.0 QD1 ILE 32 - QB ALA 108 far 0 89 0 - 6.2-17.0 QD1 ILE 32 - QB ALA 15 far 0 88 0 - 6.3-19.1 QD1 LEU 122 - QB ALA 29 far 0 91 0 - 6.4-11.9 QD2 LEU 122 - QB ALA 110 far 0 99 0 - 6.5-13.7 QD1 LEU 53 - QB ALA 28 far 0 99 0 - 6.5-18.2 QD1 LEU 122 - QB ALA 108 far 0 95 0 - 6.5-11.7 QD1 LEU 103 - QB ALA 28 far 0 93 0 - 6.6-16.7 QD1 LEU 70 - QB ALA 109 far 0 56 0 - 6.8-13.3 QD1 LEU 53 - QB ALA 110 far 0 100 0 - 6.8-17.5 QD2 LEU 122 - QB ALA 29 far 0 96 0 - 6.9-11.8 QD2 LEU 49 - QB ALA 108 far 0 100 0 - 7.0-13.6 QD1 LEU 53 - QB ALA 108 far 0 100 0 - 7.0-16.9 QD1 LEU 70 - QB ALA 28 far 0 68 0 - 7.0-15.9 QD1 LEU 96 - QB ALA 108 far 0 78 0 - 7.2-14.4 QD1 ILE 37 - QB ALA 15 far 0 91 0 - 7.3-23.6 QD2 LEU 122 - QB ALA 109 far 0 86 0 - 7.3-12.3 QD1 ILE 32 - QB ALA 109 far 0 73 0 - 7.4-18.6 QD2 LEU 119 - QB ALA 15 far 0 98 0 - 7.5-29.9 QD1 ILE 32 - QB ALA 110 far 0 88 0 - 7.8-21.1 QD1 LEU 70 - QB ALA 110 far 0 70 0 - 7.9-17.6 QD2 LEU 119 - QB ALA 28 far 0 97 0 - 8.0-14.8 QD1 LEU 103 - QB ALA 29 far 0 92 0 - 8.1-13.8 QD1 LEU 96 - QB ALA 110 far 0 78 0 - 8.1-17.5 QG2 ILE 129 - QB ALA 29 far 0 59 0 - 8.2-13.5 QD1 ILE 37 - QB ALA 28 far 0 89 0 - 8.3-13.2 QD1 LEU 70 - QB ALA 15 far 0 70 0 - 8.3-29.2 QD1 LEU 96 - QB ALA 28 far 0 76 0 - 8.4-15.3 QD1 LEU 53 - QB ALA 109 far 0 88 0 - 8.7-14.2 QD1 LEU 122 - QB ALA 28 far 0 92 0 - 8.9-13.0 QD2 LEU 49 - QB ALA 109 far 0 88 0 - 8.9-14.6 QD1 LEU 96 - QB ALA 109 far 0 63 0 - 9.0-15.3 QG1 VAL 63 - QB ALA 15 far 0 96 0 - 9.2-27.8 QD2 LEU 122 - QB ALA 28 far 0 97 0 - 9.2-12.8 QD1 LEU 53 - QB ALA 15 far 0 100 0 - 9.4-28.8 QG2 ILE 129 - QB ALA 28 far 0 60 0 - 9.8-16.5 Violated in 2 structures by 0.06 A. Peak 11489 from cnoeabs.peaks (8.18, 8.17, 67.59 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 11490 from cnoeabs.peaks (8.03, 8.34, 62.67 ppm; 4.24 A): 0 out of 0 assignments used, quality = 0.00: Peak 11491 from cnoeabs.peaks (8.56, 0.92, 20.16 ppm; 4.22 A): 0 out of 1 assignment used, quality = 0.00: H GLY 114 - QG2 VAL 112 far 0 99 0 - 6.3-7.3 Violated in 20 structures by 2.77 A. Peak 11492 from cnoeabs.peaks (8.56, 0.97, 20.69 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: H GLY 114 + QG1 VAL 112 OK 100 100 100 100 4.5-5.8 11518=89, 10159/10194=76...(12) Violated in 5 structures by 0.07 A. Peak 11493 from cnoeabs.peaks (4.29, 0.92, 20.16 ppm; 4.27 A): 3 out of 12 assignments used, quality = 0.90: HA ALA 109 + QG2 VAL 112 OK 56 93 60 99 3.8-10.0 2.1/11548=56, ~10135=55...(14) HB THR 115 + QG2 VAL 112 OK 53 89 60 100 4.4-7.0 2.1/11553=93...(19) HA ALA 110 + QG2 VAL 112 OK 51 99 60 85 5.0-8.2 2.1/11496=38...(13) HA ALA 15 - QG2 VAL 112 far 15 99 15 - 2.3-45.6 HA ALA 16 - QG2 VAL 112 far 9 92 10 - 4.0-43.0 HA ALA 108 - QG2 VAL 112 far 0 93 0 - 5.8-13.9 HA GLN 61 - QG2 VAL 112 far 0 97 0 - 7.8-18.3 HA LYS 19 - QG2 VAL 112 far 0 73 0 - 8.2-40.7 HA THR 18 - QG2 VAL 112 far 0 100 0 - 8.4-42.5 HA LYS 26 - QG2 VAL 112 far 0 78 0 - 9.2-30.6 HA ALA 21 - QG2 VAL 112 far 0 100 0 - 9.3-38.9 HA ALA 12 - QG2 VAL 112 far 0 99 0 - 9.9-46.3 Violated in 10 structures by 0.34 A. Peak 11494 from cnoeabs.peaks (1.93, 4.42, 59.99 ppm; 4.28 A): 2 out of 3 assignments used, quality = 1.00: HG2 PRO 113 + HA VAL 112 OK 100 100 100 100 4.2-4.5 2.3/3567=94, 2.3/3568=94...(45) HB2 PRO 113 + HA VAL 112 OK 89 89 100 100 5.5-5.6 3.0/3567=84, 3.0/3568=84...(48) HB2 PRO 58 - HA VAL 112 far 12 78 15 - 5.3-16.5 Violated in 4 structures by 0.00 A. Peak 11495 from cnoeabs.peaks (1.91, 0.97, 20.69 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: HB2 PRO 113 + QG1 VAL 112 OK 100 100 100 100 4.1-4.9 3.0/10125=73...(50) HG2 PRO 113 + QG1 VAL 112 OK 81 81 100 100 2.8-3.3 2.3/10125=84...(47) HB2 MET 11 - QG1 VAL 105 far 0 62 0 - 6.2-47.0 Violated in 0 structures by 0.00 A. Peak 11496 from cnoeabs.peaks (1.39, 0.92, 20.16 ppm; 3.20 A): 2 out of 10 assignments used, quality = 0.86: QB ALA 109 + QG2 VAL 112 OK 72 100 75 96 2.0-8.3 10135/2.1=44...(17) QB ALA 110 + QG2 VAL 112 OK 49 100 60 82 2.7-6.5 10732=27, 4.8/10661=22...(15) QB ALA 15 - QG2 VAL 112 far 15 100 15 - 3.1-37.8 QB ALA 16 - QG2 VAL 112 far 9 89 10 - 2.6-35.5 QB ALA 108 - QG2 VAL 112 far 0 100 0 - 5.1-11.3 HG2 LYS 19 - QG2 VAL 112 far 0 76 0 - 6.0-42.9 QB ALA 12 - QG2 VAL 112 far 0 63 0 - 7.8-38.4 HG3 LYS 26 - QG2 VAL 112 far 0 99 0 - 8.8-28.6 QB ALA 28 - QG2 VAL 112 far 0 100 0 - 9.1-22.0 QB ALA 29 - QG2 VAL 112 far 0 99 0 - 9.4-20.4 Violated in 9 structures by 0.43 A. Peak 11497 from cnoeabs.peaks (1.13, 2.12, 32.23 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + HB VAL 112 OK 100 100 100 100 2.1-4.2 10194/2.1=91, 10185=87...(19) HB3 LEU 62 - HB VAL 112 far 0 97 0 - 7.0-15.5 Violated in 7 structures by 0.06 A. Peak 11498 from cnoeabs.peaks (1.12, 4.42, 59.99 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.89: QG2 THR 115 + HA VAL 112 OK 89 89 100 100 3.9-4.9 11553/3557=84...(19) HB3 LEU 62 - HA VAL 112 far 0 65 0 - 7.7-13.9 Violated in 4 structures by 0.02 A. Peak 11499 from cnoeabs.peaks (1.13, 0.97, 20.69 ppm; 3.07 A): 1 out of 5 assignments used, quality = 1.00: QG2 THR 115 + QG1 VAL 112 OK 100 100 100 100 1.7-3.5 10194=100, 11553/2.1=60...(23) HB3 LEU 62 - QG1 VAL 112 far 0 97 0 - 6.1-12.4 QG2 THR 115 - QG1 VAL 105 far 0 69 0 - 7.5-13.2 HG12 ILE 32 - QG1 VAL 105 far 0 36 0 - 8.4-20.3 HB3 LEU 62 - QG1 VAL 105 far 0 64 0 - 10.0-12.8 Violated in 1 structures by 0.02 A. Peak 11500 from cnoeabs.peaks (1.13, 0.92, 20.16 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.94: QG2 THR 115 + QG2 VAL 112 OK 94 100 95 99 2.7-4.9 10194/2.1=77...(16) HB3 LEU 62 - QG2 VAL 112 far 0 97 0 - 6.5-13.7 Violated in 18 structures by 0.55 A. Peak 11503 from cnoeabs.peaks (0.98, 3.94, 50.95 ppm; 4.25 A): 2 out of 10 assignments used, quality = 0.96: QG1 VAL 112 + HD3 PRO 113 OK 93 93 100 100 2.8-3.4 11557/1.8=91, 10124=89...(40) QG2 VAL 118 + HD3 PRO 117 OK 37 39 100 95 3.1-5.1 11590/3.0=38...(23) QG1 VAL 112 - HD3 PRO 117 far 6 64 10 - 5.3-10.2 QG2 VAL 105 - HD3 PRO 117 far 0 51 0 - 6.8-13.8 QD2 LEU 53 - HD3 PRO 113 far 0 92 0 - 7.4-17.3 QG2 VAL 118 - HD3 PRO 113 far 0 63 0 - 7.4-13.0 QG2 VAL 105 - HD3 PRO 113 far 0 78 0 - 7.6-16.0 QD2 LEU 53 - HD3 PRO 117 far 0 63 0 - 7.9-14.9 QG1 VAL 105 - HD3 PRO 113 far 0 78 0 - 8.2-17.5 QG1 VAL 105 - HD3 PRO 117 far 0 51 0 - 9.0-16.1 Violated in 0 structures by 0.00 A. Peak 11504 from cnoeabs.peaks (0.98, 3.70, 50.95 ppm; 3.85 A): 1 out of 5 assignments used, quality = 0.93: QG1 VAL 112 + HD2 PRO 113 OK 93 93 100 100 1.7-2.1 10125=90, 10124/1.8=79...(41) QD2 LEU 53 - HD2 PRO 113 far 0 92 0 - 8.0-17.1 QG2 VAL 118 - HD2 PRO 113 far 0 63 0 - 8.2-13.2 QG2 VAL 105 - HD2 PRO 113 far 0 78 0 - 9.1-16.1 QG1 VAL 105 - HD2 PRO 113 far 0 78 0 - 9.5-17.7 Violated in 0 structures by 0.00 A. Peak 11506 from cnoeabs.peaks (0.93, 4.37, 63.85 ppm; 4.72 A): 2 out of 8 assignments used, quality = 1.00: QG2 VAL 112 + HA PRO 113 OK 99 99 100 100 5.1-5.8 10137/3.6=74...(18) QD1 LEU 119 + HA PRO 113 OK 80 97 85 97 1.7-7.7 10160/7591=86...(13) QG1 VAL 57 - HA PRO 113 far 9 89 10 - 5.0-12.9 QG2 VAL 63 - HA PRO 113 far 4 81 5 - 5.8-10.3 QD1 LEU 62 - HA PRO 113 lone 3 87 25 14 3.7-8.2 9347/11787=10, 10165/10150=3 QD1 LEU 123 - HA PRO 113 far 0 100 0 - 8.4-14.6 QG1 VAL 105 - HA PRO 113 far 0 63 0 - 9.8-16.0 QD2 LEU 48 - HA PRO 113 far 0 76 0 - 9.8-18.1 Violated in 10 structures by 0.19 A. Peak 11507 from cnoeabs.peaks (0.97, 4.37, 63.85 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.99: QG1 VAL 112 + HA PRO 113 OK 99 99 100 100 3.7-4.8 10125/3.6=78...(19) QD2 LEU 53 - HA PRO 113 far 10 98 10 - 5.8-14.6 QG1 VAL 57 - HA PRO 113 far 7 65 10 - 5.0-12.9 QG2 VAL 105 - HA PRO 113 far 0 63 0 - 8.7-14.2 QG1 VAL 105 - HA PRO 113 far 0 90 0 - 9.8-16.0 Violated in 1 structures by 0.01 A. Peak 11508 from cnoeabs.peaks (4.43, 2.27, 31.81 ppm; 5.86 A): 2 out of 7 assignments used, quality = 0.99: HA VAL 112 + HB3 PRO 113 OK 99 99 100 100 4.8-4.8 3566/3.0=99, 3568/3.0=99...(48) HA THR 115 + HB3 PRO 113 OK 31 63 50 100 6.6-8.3 ~10189=62, ~10189=55...(20) HA PRO 58 - HB3 PRO 113 lone 9 68 85 15 3.1-10.8 11566/1.8=8, 1864/2.3=5 HA THR 54 - HB3 PRO 113 far 5 100 5 - 6.0-17.9 HA MET 11 - HB VAL 105 far 4 83 5 - 6.5-56.0 HA ASN 120 - HB3 PRO 113 far 0 100 0 - 8.1-16.4 HA VAL 112 - HB VAL 105 far 0 83 0 - 9.4-19.2 Violated in 0 structures by 0.00 A. Peak 11509 from cnoeabs.peaks (4.42, 1.93, 27.46 ppm; 4.87 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 112 + HG2 PRO 113 OK 100 100 100 100 4.2-4.5 3567/2.3=99, 3568/2.3=99...(45) HA THR 115 + HG2 PRO 113 OK 40 81 50 100 4.2-8.2 11939/1.8=61, ~10189=49...(21) HA THR 54 - HG2 PRO 113 far 5 100 5 - 6.2-18.7 HA ASN 120 - HG2 PRO 113 far 0 100 0 - 9.6-16.6 Violated in 0 structures by 0.00 A. Peak 11510 from cnoeabs.peaks (4.42, 2.06, 27.46 ppm; 5.47 A): 2 out of 15 assignments used, quality = 1.00: HA VAL 112 + HG3 PRO 113 OK 100 100 100 100 4.3-4.5 3566/2.3=100...(41) HA THR 115 + HG3 PRO 113 OK 43 87 50 100 5.9-9.4 3.0/10189=81, 11939=70...(17) HA THR 115 - HG2 PRO 117 poor 18 73 25 - 6.1-8.9 HA THR 115 - HG3 PRO 117 far 7 67 10 - 5.0-8.8 HA THR 54 - HG3 PRO 113 far 5 100 5 - 5.8-19.6 HA VAL 112 - HG2 PRO 117 far 4 90 5 - 4.3-14.6 HA VAL 112 - HG3 PRO 117 far 4 84 5 - 5.5-14.6 HA THR 54 - HB2 GLN 127 far 3 66 5 - 6.9-12.1 HA ASN 120 - HB2 GLN 127 far 3 66 5 - 6.9-9.8 HA MET 11 - HG3 PRO 58 far 3 59 5 - 6.7-45.7 HA VAL 112 - HG3 PRO 58 far 0 59 0 - 7.3-17.8 HA ASN 120 - HG3 PRO 117 far 0 82 0 - 8.5-10.1 HA ASN 120 - HG2 PRO 117 far 0 88 0 - 8.6-9.8 HA HIS 5 - HG3 PRO 81 far 0 83 0 - 9.6-65.7 HA ASN 120 - HG3 PRO 113 far 0 99 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 11511 from cnoeabs.peaks (2.12, 3.70, 50.95 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: HB VAL 112 + HD2 PRO 113 OK 100 100 100 100 3.0-4.2 10130=100, 2.1/10125=86...(44) HB2 PRO 56 - HD2 PRO 113 far 8 83 10 - 3.7-15.2 HB VAL 57 - HD2 PRO 113 far 0 68 0 - 6.6-16.7 HB3 GLN 61 - HD2 PRO 113 far 0 92 0 - 9.5-18.4 Violated in 8 structures by 0.03 A. Peak 11512 from cnoeabs.peaks (2.13, 3.94, 50.95 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.95: HB VAL 112 + HD3 PRO 113 OK 95 95 100 100 4.2-5.0 2.1/10124=92...(43) HB2 PRO 56 - HD3 PRO 113 far 10 100 10 - 2.1-15.5 HB VAL 112 - HD3 PRO 117 far 0 66 0 - 6.2-11.1 HB3 GLN 61 - HD3 PRO 113 far 0 57 0 - 8.0-17.5 Violated in 19 structures by 0.53 A. Peak 11515 from cnoeabs.peaks (4.37, 4.12, 45.18 ppm; 4.18 A): 2 out of 3 assignments used, quality = 1.00: HA PRO 113 + HA3 GLY 114 OK 100 100 100 100 4.6-4.7 7591/2.9=88, 10150=80...(11) HA THR 115 + HA3 GLY 114 OK 68 68 100 100 4.3-4.8 3.0/7604=74, 5.0=58...(14) HA PRO 117 - HA3 GLY 114 far 0 99 0 - 5.7-9.3 Violated in 2 structures by 0.00 A. Peak 11516 from cnoeabs.peaks (4.37, 3.88, 45.18 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.99: HA PRO 113 + HA2 GLY 114 OK 98 100 100 98 4.3-4.7 7591/2.9=80...(13) HA THR 115 + HA2 GLY 114 OK 60 60 100 100 4.3-4.9 3.0/7603=65...(16) HA PRO 117 - HA2 GLY 114 far 0 100 0 - 5.6-9.2 HA SER 107 - HA2 GLY 114 far 0 90 0 - 9.9-18.4 Violated in 20 structures by 0.17 A. Peak 11520 from cnoeabs.peaks (8.37, 4.40, 61.68 ppm; 4.67 A): 0 out of 0 assignments used, quality = 0.00: Peak 11521 from cnoeabs.peaks (8.36, 4.27, 69.69 ppm; 5.41 A): 0 out of 0 assignments used, quality = 0.00: Peak 11522 from cnoeabs.peaks (4.12, 4.40, 61.68 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: HA3 GLY 114 + HA THR 115 OK 100 100 100 100 4.3-4.8 5.0=97, 1.8/10175=95...(14) Violated in 0 structures by 0.00 A. Peak 11523 from cnoeabs.peaks (0.96, 4.40, 61.68 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 112 + HA THR 115 OK 100 100 100 100 4.1-5.6 10194/3637=92...(28) QD1 LEU 119 + HA THR 115 OK 57 73 80 97 4.2-6.9 11623=51, 2.1/11578=34...(15) QD2 LEU 53 - HA THR 115 far 0 100 0 - 8.4-15.9 QG1 VAL 57 - HA THR 115 far 0 89 0 - 9.3-15.6 Violated in 10 structures by 0.19 A. Peak 11525 from cnoeabs.peaks (0.95, 4.97, 51.55 ppm; 4.85 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 119 + HA ASN 116 OK 99 99 100 100 3.6-5.4 10295/3.0=82...(34) QG1 VAL 112 + HA ASN 116 OK 56 83 70 97 4.1-8.3 10194/10179=52...(12) QG2 VAL 112 - HA ASN 116 far 7 73 10 - 6.0-9.4 QD2 LEU 53 - HA ASN 116 far 0 85 0 - 7.2-14.1 QG1 VAL 57 - HA ASN 116 far 0 100 0 - 9.1-18.0 QD1 LEU 123 - HA ASN 116 far 0 83 0 - 9.4-12.5 QG1 VAL 105 - HA ASN 116 far 0 96 0 - 9.6-14.8 Violated in 2 structures by 0.04 A. Peak 11526 from cnoeabs.peaks (1.87, 2.85, 38.95 ppm; 6.56 A): 1 out of 2 assignments used, quality = 0.95: HB3 LEU 119 + HB2 ASN 116 OK 95 100 95 100 4.5-9.0 11585/1.8=94...(26) HB3 LEU 123 - HB2 ASN 116 far 0 99 0 - 9.4-13.4 Violated in 7 structures by 0.27 A. Peak 11527 from cnoeabs.peaks (2.04, 2.85, 38.95 ppm; 6.32 A): 5 out of 9 assignments used, quality = 1.00: HG3 PRO 117 + HB2 ASN 116 OK 100 100 100 100 5.4-7.1 2.3/10207=98, ~10241=84...(30) HG2 PRO 117 + HB2 ASN 116 OK 99 99 100 100 5.3-7.1 2.3/10207=98, ~10241=84...(31) HB VAL 118 + HB2 ASN 116 OK 97 97 100 100 3.5-6.5 ~10276=70, 11531/3.5=65...(18) HB2 LEU 62 + HB2 ASN 116 OK 47 97 60 81 6.0-15.4 3.2/10948=32...(12) HG3 PRO 113 + HB2 ASN 116 OK 23 92 40 63 6.9-11.9 11939/10174=42...(5) HB VAL 63 - HB2 ASN 116 far 11 73 15 - 7.0-16.2 HG2 PRO 58 - HB2 ASN 116 far 0 85 0 - 8.9-20.9 HG3 PRO 58 - HB2 ASN 116 far 0 68 0 - 9.0-19.7 HB3 GLU 55 - HB2 ASN 116 far 0 100 0 - 9.1-20.2 Violated in 0 structures by 0.00 A. Peak 11528 from cnoeabs.peaks (1.01, 2.01, 32.10 ppm; 4.41 A): 1 out of 5 assignments used, quality = 1.00: QG2 VAL 118 + HB3 PRO 117 OK 100 100 100 100 4.0-5.0 10272/2.3=61...(30) QG2 VAL 105 - HB VAL 63 far 0 42 0 - 6.2-9.4 QG2 VAL 118 - HB VAL 63 far 0 43 0 - 7.0-14.3 QD1 LEU 69 - HB VAL 63 far 0 43 0 - 8.8-12.1 QG2 VAL 105 - HB3 PRO 117 far 0 100 0 - 8.8-14.4 Violated in 13 structures by 0.15 A. Peak 11529 from cnoeabs.peaks (1.13, 2.05, 27.30 ppm; 5.39 A): 9 out of 14 assignments used, quality = 1.00: QG2 THR 115 + HG3 PRO 113 OK 84 84 100 100 3.2-6.5 2.1/10189=83...(17) QG1 VAL 132 + HG3 ARG 135 OK 65 65 100 100 2.7-4.4 11749/4.2=69...(47) QG2 VAL 132 + HG3 ARG 135 OK 64 64 100 100 4.1-6.4 ~10527=63, ~10019=63...(47) QG2 VAL 132 + HG3 PRO 81 OK 64 99 75 85 4.6-8.9 11738/11226=28...(23) HG2 LYS 39 + HG3 PRO 81 OK 57 100 65 88 3.1-12.7 1174/2.3=14, ~1166=14...(28) QG1 VAL 132 + HG3 PRO 81 OK 45 100 55 81 5.3-8.3 11656/11226=24...(19) HG3 LYS 39 + HG3 PRO 81 OK 35 73 55 87 4.6-12.2 ~1166=14, ~1167=13...(26) QG2 THR 115 + HG2 PRO 117 OK 21 100 25 85 3.1-9.0 11575/2.3=43...(8) QG2 THR 115 + HG3 PRO 117 OK 21 100 25 84 4.2-9.0 11575/2.3=43...(7) HG2 LYS 39 - HG3 ARG 135 far 7 65 10 - 6.8-12.2 HB3 LEU 62 - HG3 PRO 113 far 4 76 5 - 5.8-13.9 HG3 LYS 39 - HG3 ARG 135 far 0 41 0 - 8.5-13.3 HB3 LEU 62 - HG2 PRO 117 far 0 95 0 - 9.6-18.8 HB3 LEU 62 - HG3 PRO 117 far 0 96 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 11530 from cnoeabs.peaks (0.99, 2.05, 27.30 ppm; 4.41 A): 3 out of 14 assignments used, quality = 0.99: QG2 VAL 118 + HG3 PRO 117 OK 88 89 100 99 3.0-5.4 11590/2.3=67...(34) QG2 VAL 118 + HG2 PRO 117 OK 87 88 100 99 2.4-5.0 11590/2.3=67...(35) QG1 VAL 112 + HG3 PRO 113 OK 53 53 100 100 3.8-4.1 11557/2.3=76...(46) QG1 VAL 112 - HG3 PRO 117 far 4 71 5 - 5.6-12.0 QG1 VAL 112 - HG2 PRO 117 far 3 70 5 - 4.1-11.6 QD2 LEU 53 - HG3 PRO 113 far 0 51 0 - 6.2-17.6 QG2 VAL 105 - HG2 PRO 117 far 0 96 0 - 7.0-13.5 QG2 VAL 105 - HG3 PRO 117 far 0 97 0 - 7.5-14.5 QD2 LEU 53 - HG2 PRO 117 far 0 67 0 - 8.1-14.6 QG2 VAL 118 - HG3 PRO 113 far 0 69 0 - 8.2-13.1 QG2 VAL 105 - HG3 PRO 113 far 0 78 0 - 8.5-17.3 QD2 LEU 53 - HG3 PRO 117 far 0 68 0 - 8.8-15.6 QD1 LEU 69 - HG3 PRO 81 far 0 90 0 - 9.4-14.2 QD1 LEU 69 - HG3 ARG 135 far 0 53 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 11531 from cnoeabs.peaks (7.00, 2.06, 31.53 ppm; 6.32 A): 1 out of 1 assignment used, quality = 0.92: HD21 ASN 116 + HB VAL 118 OK 92 92 100 100 1.6-5.6 11532/2.1=92...(22) Violated in 0 structures by 0.00 A. Peak 11532 from cnoeabs.peaks (7.00, 1.01, 22.19 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.97: HD21 ASN 116 + QG2 VAL 118 OK 97 97 100 100 3.3-5.9 10217/10264=68...(18) Violated in 3 structures by 0.04 A. Peak 11533 from cnoeabs.peaks (6.89, 1.01, 22.19 ppm; 6.27 A): 1 out of 2 assignments used, quality = 0.95: HD21 ASN 121 + QG2 VAL 118 OK 95 95 100 100 3.2-5.3 1.7/10332=99...(37) HE21 GLN 61 - QG2 VAL 118 far 0 97 0 - 9.1-18.9 Violated in 0 structures by 0.00 A. Peak 11534 from cnoeabs.peaks (8.28, 1.01, 22.19 ppm; 5.30 A): 2 out of 8 assignments used, quality = 0.99: H SER 99 + QG2 VAL 118 OK 98 99 100 100 4.2-5.2 2.9/10271=89, ~11599=64...(16) H LEU 123 + QG2 VAL 118 OK 65 73 95 94 4.7-7.5 ~7718=36, 7704/10320=30...(16) H GLY 111 - QG2 VAL 118 far 13 85 15 - 4.8-12.6 H ALA 110 - QG2 VAL 118 far 9 89 10 - 4.1-13.0 H LEU 96 - QG2 VAL 118 far 0 98 0 - 7.1-8.9 H VAL 126 - QG2 VAL 118 far 0 99 0 - 7.3-9.3 H ALA 21 - QG2 VAL 118 far 0 73 0 - 8.4-33.7 H LEU 69 - QG2 VAL 118 far 0 92 0 - 9.9-15.7 Violated in 0 structures by 0.00 A. Peak 11535 from cnoeabs.peaks (7.91, 0.90, 21.66 ppm; 4.26 A): 2 out of 6 assignments used, quality = 0.90: HD22 ASN 116 + QG1 VAL 118 OK 77 99 85 91 3.4-7.2 ~11532=36, 10204/2.1=35...(14) H GLN 104 + QG1 VAL 118 OK 57 95 65 93 3.1-8.2 7485/11705=38...(11) H SER 106 - QG1 VAL 118 far 0 97 0 - 6.5-9.7 H VAL 112 - QG1 VAL 118 far 0 71 0 - 6.8-12.1 H THR 115 - QG1 VAL 118 far 0 100 0 - 6.9-9.8 H GLU 128 - QG1 VAL 118 far 0 73 0 - 8.9-11.1 Violated in 7 structures by 0.34 A. Peak 11537 from cnoeabs.peaks (4.04, 0.90, 21.66 ppm; 3.74 A): 4 out of 11 assignments used, quality = 0.99: HA LEU 122 + QG1 VAL 118 OK 90 97 100 94 3.2-5.1 3.0/390=26, 4.9/10324=25...(24) HA LEU 119 + QG1 VAL 118 OK 83 95 100 88 3.0-4.0 ~3753=31, ~7650=31...(20) HA LEU 103 + QG1 VAL 118 OK 46 78 60 97 4.2-6.2 11709=38, 3.0/11705=37...(17) HA LEU 96 + QG1 VAL 118 OK 26 100 60 43 3.5-5.9 3214/11475=12...(12) HA LYS 95 - QG1 VAL 118 far 4 85 5 - 3.8-8.7 HA GLU 102 - QG1 VAL 118 far 0 96 0 - 6.3-8.0 HB3 SER 124 - QG1 VAL 118 far 0 98 0 - 6.3-8.0 HB THR 65 - QG1 VAL 118 far 0 65 0 - 6.9-14.2 HA SER 60 - QG1 VAL 118 far 0 60 0 - 7.5-14.2 HA ALA 92 - QG1 VAL 118 far 0 98 0 - 7.6-10.9 HB2 SER 74 - QG1 VAL 118 far 0 60 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 11538 from cnoeabs.peaks (2.98, 0.90, 21.66 ppm; 5.20 A): 1 out of 5 assignments used, quality = 1.00: HB3 ASN 121 + QG1 VAL 118 OK 100 100 100 100 2.4-4.0 1.8/11602=96...(29) HE3 LYS 24 - QG1 VAL 118 far 4 89 5 - 5.0-27.3 HE2 LYS 24 - QG1 VAL 118 far 4 76 5 - 5.6-26.1 HE3 LYS 26 - QG1 VAL 118 far 0 97 0 - 9.0-19.6 HE2 LYS 26 - QG1 VAL 118 far 0 97 0 - 10.0-19.7 Violated in 0 structures by 0.00 A. Peak 11539 from cnoeabs.peaks (2.79, 0.90, 21.66 ppm; 4.87 A): 2 out of 4 assignments used, quality = 0.96: HB2 ASN 121 + QG1 VAL 118 OK 93 93 100 100 3.7-5.4 1.8/11601=89...(38) HB2 ASN 120 + QG1 VAL 118 OK 39 90 50 87 5.9-7.5 11968/11600=25...(18) HB3 ASN 120 - QG1 VAL 118 poor 19 90 25 85 6.1-7.4 11626/10324=26...(17) HB3 ASP 64 - QG1 VAL 118 far 0 89 0 - 8.7-15.5 Violated in 3 structures by 0.04 A. Peak 11540 from cnoeabs.peaks (2.96, 1.01, 22.19 ppm; 4.60 A): 2 out of 6 assignments used, quality = 0.98: HB3 ASN 121 + QG2 VAL 118 OK 96 96 100 100 2.8-3.7 1.8/11604=90...(34) HB3 ASN 116 + QG2 VAL 118 OK 52 60 90 96 2.5-6.6 3.0/10276=57...(15) HE3 LYS 24 - QG2 VAL 118 far 5 100 5 - 3.2-29.8 HE2 LYS 24 - QG2 VAL 118 far 5 99 5 - 3.9-28.6 HE3 LYS 26 - QG2 VAL 118 far 0 100 0 - 8.3-21.8 HE2 LYS 26 - QG2 VAL 118 far 0 100 0 - 9.3-22.1 Violated in 0 structures by 0.00 A. Peak 11541 from cnoeabs.peaks (2.80, 1.01, 22.19 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: HB2 ASN 121 + QG2 VAL 118 OK 100 100 100 100 3.9-4.7 10306/2.1=75...(36) HB2 ASN 120 - QG2 VAL 118 far 0 100 0 - 6.3-8.2 HB3 ASN 120 - QG2 VAL 118 far 0 100 0 - 6.7-8.1 Violated in 7 structures by 0.07 A. Peak 11542 from cnoeabs.peaks (4.38, 2.06, 31.53 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.93: HA PRO 117 + HB VAL 118 OK 93 93 100 100 5.3-5.9 10272/2.1=67, ~11590=57...(16) HA PRO 113 - HB VAL 118 far 5 98 5 - 5.3-11.5 HA SER 107 - HB VAL 118 far 0 99 0 - 6.2-12.8 HA THR 115 - HB VAL 118 far 0 83 0 - 7.9-9.7 Violated in 20 structures by 0.87 A. Peak 11543 from cnoeabs.peaks (2.97, 2.06, 31.53 ppm; 5.96 A): 1 out of 3 assignments used, quality = 0.99: HB3 ASN 121 + HB VAL 118 OK 99 99 100 100 4.4-4.9 11601/2.1=98...(31) HE3 LYS 24 - HB VAL 118 far 5 99 5 - 6.3-34.3 HE2 LYS 24 - HB VAL 118 far 5 96 5 - 7.0-32.9 Violated in 0 structures by 0.00 A. Peak 11544 from cnoeabs.peaks (2.82, 2.06, 31.53 ppm; 5.48 A): 1 out of 3 assignments used, quality = 0.90: HB2 ASN 121 + HB VAL 118 OK 90 90 100 100 5.5-6.6 11602/2.1=92...(35) HB3 ASN 120 - HB VAL 118 far 5 93 5 - 6.9-8.8 HB2 ASN 120 - HB VAL 118 far 0 93 0 - 7.0-8.8 Violated in 20 structures by 0.67 A. Peak 11545 from cnoeabs.peaks (2.22, 1.01, 22.19 ppm; 3.78 A): 1 out of 7 assignments used, quality = 0.69: HB3 GLU 102 + QG2 VAL 118 OK 69 96 85 85 4.0-6.9 11507=35, 3.8/10065=27...(13) HB3 GLN 104 - QG2 VAL 118 far 5 100 5 - 5.1-13.3 HB2 GLN 104 - QG2 VAL 118 far 0 63 0 - 6.1-12.1 HB2 GLN 101 - QG2 VAL 118 far 0 97 0 - 6.6-10.0 HB3 LEU 96 - QG2 VAL 118 far 0 85 0 - 6.8-9.1 HB3 GLU 97 - QG2 VAL 118 far 0 100 0 - 7.3-8.8 HG2 GLU 91 - QG2 VAL 118 far 0 97 0 - 9.0-15.7 Violated in 20 structures by 1.23 A. Peak 11546 from cnoeabs.peaks (2.22, 0.90, 21.66 ppm; 4.17 A): 0 out of 10 assignments used, quality = 0.00: HB3 GLN 104 - QG1 VAL 118 far 15 100 15 - 3.8-11.0 HB3 LEU 96 - QG1 VAL 118 far 10 96 10 - 4.7-7.9 HB3 GLU 102 - QG1 VAL 118 far 5 100 5 - 5.3-7.3 HB2 GLN 101 - QG1 VAL 118 far 0 87 0 - 6.1-8.5 HB3 GLU 97 - QG1 VAL 118 far 0 99 0 - 6.7-8.1 HB3 GLN 127 - QG1 VAL 118 far 0 100 0 - 8.4-12.3 HG2 GLU 91 - QG1 VAL 118 far 0 100 0 - 8.7-15.7 HB2 GLN 68 - QG1 VAL 118 far 0 100 0 - 9.2-14.4 HG2 GLN 68 - QG1 VAL 118 far 0 99 0 - 9.5-15.7 HB3 GLU 128 - QG1 VAL 118 far 0 100 0 - 9.6-11.9 Violated in 18 structures by 0.86 A. Peak 11547 from cnoeabs.peaks (0.78, 3.81, 65.23 ppm; 5.33 A): 4 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HA VAL 118 OK 95 100 95 100 4.3-9.5 10069/3.0=95...(30) QD2 LEU 122 + HA VAL 118 OK 95 100 95 100 3.3-7.0 5.1/7718=47...(44) QD2 LEU 119 + HA VAL 118 OK 90 90 100 100 3.8-6.8 3790/4.9=64, 3789/3.5=49...(23) QD1 LEU 122 + HA VAL 118 OK 78 78 100 100 3.5-6.3 4.3/7718=54...(45) QD1 LEU 53 - HA VAL 118 poor 15 98 30 51 5.0-10.5 1677/3.5=13, 3759/4.9=12...(12) QG1 VAL 63 - HA VAL 118 far 0 100 0 - 8.1-13.3 QD1 LEU 96 - HA VAL 118 far 0 95 0 - 8.1-10.6 QD2 LEU 49 - HA VAL 118 far 0 96 0 - 8.6-11.6 Violated in 0 structures by 0.00 A. Peak 11548 from cnoeabs.peaks (0.78, 2.06, 31.53 ppm; 3.56 A): 4 out of 8 assignments used, quality = 0.99: QD1 LEU 103 + HB VAL 118 OK 95 100 95 100 1.9-8.0 10069=100, 2.1/11826=45...(33) QD1 LEU 122 + HB VAL 118 OK 44 65 70 95 3.5-6.7 11612/2.1=22, ~11612=15...(42) QD2 LEU 122 + HB VAL 118 OK 33 99 35 96 2.6-7.8 11612/2.1=27...(37) QD2 LEU 119 + HB VAL 118 OK 27 81 40 83 3.2-5.6 2.1/11624=30...(18) QD1 LEU 53 - HB VAL 118 far 9 93 10 - 4.0-11.3 QG1 VAL 63 - HB VAL 118 far 0 100 0 - 5.9-12.2 QD2 LEU 49 - HB VAL 118 far 0 89 0 - 8.3-12.3 QD1 LEU 96 - HB VAL 118 far 0 99 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 11549 from cnoeabs.peaks (0.79, 0.90, 21.66 ppm; 3.02 A): 4 out of 11 assignments used, quality = 1.00: QD1 LEU 103 + QG1 VAL 118 OK 87 99 90 98 2.9-6.5 10069/2.1=49...(27) QD2 LEU 122 + QG1 VAL 118 OK 86 100 95 90 1.5-5.1 3.1/390=17...(37) QD1 LEU 122 + QG1 VAL 118 OK 76 89 95 90 1.6-4.7 3.1/390=17, 10265/2.1=11...(37) QD2 LEU 119 + QG1 VAL 118 OK 34 97 50 70 3.0-5.7 3789/4.1=15, ~11624=13...(16) QD1 LEU 70 - QG1 VAL 118 far 6 60 10 - 4.3-8.1 QD1 LEU 53 - QG1 VAL 118 lone 4 100 30 14 2.6-9.0 1677/4.1=3, 3907/7752=2...(7) QG1 VAL 63 - QG1 VAL 118 far 0 99 0 - 4.5-9.3 QD1 LEU 96 - QG1 VAL 118 far 0 87 0 - 5.4-7.2 QD2 LEU 49 - QG1 VAL 118 far 0 99 0 - 5.5-8.9 QD1 ILE 32 - QG1 VAL 118 far 0 95 0 - 7.5-12.1 QD1 ILE 37 - QG1 VAL 118 far 0 97 0 - 9.4-14.6 Violated in 1 structures by 0.03 A. Peak 11551 from cnoeabs.peaks (7.95, 1.87, 40.68 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.23: H SER 124 + HB3 LEU 119 OK 23 100 25 93 6.4-7.8 7761/11552=72...(11) H VAL 112 - HB3 LEU 119 far 0 92 0 - 8.3-13.8 Violated in 20 structures by 1.71 A. Peak 11552 from cnoeabs.peaks (8.26, 1.87, 40.68 ppm; 4.79 A): 1 out of 4 assignments used, quality = 0.96: H LEU 123 + HB3 LEU 119 OK 96 100 100 97 5.6-6.3 7761/11551=47...(18) H SER 99 - HB3 LEU 119 far 0 65 0 - 8.1-11.9 H SER 107 - HB3 LEU 119 far 0 57 0 - 9.8-16.8 H VAL 126 - HB3 LEU 119 far 0 68 0 - 10.0-11.0 Violated in 20 structures by 1.12 A. Peak 11553 from cnoeabs.peaks (7.93, 0.94, 25.07 ppm; 4.04 A): 2 out of 5 assignments used, quality = 0.99: HD22 ASN 116 + QD1 LEU 119 OK 97 97 100 100 1.8-5.5 10222=92, 1.7/10218=62...(17) H THR 115 + QD1 LEU 119 OK 69 78 90 98 2.6-6.2 3.0/11623=48...(15) H VAL 112 - QD1 LEU 119 far 10 99 10 - 5.1-10.1 H SER 106 - QD1 LEU 119 far 0 63 0 - 6.6-13.6 H SER 124 - QD1 LEU 119 far 0 85 0 - 7.1-8.6 Violated in 2 structures by 0.03 A. Peak 11554 from cnoeabs.peaks (2.96, 1.87, 40.68 ppm; 5.80 A): 2 out of 2 assignments used, quality = 0.90: HB3 ASN 121 + HB3 LEU 119 OK 78 93 90 93 5.9-7.3 10299/4.6=69...(13) HB3 ASN 116 + HB3 LEU 119 OK 56 65 85 100 3.3-8.3 1.8/10224=92, ~10294=77...(22) Violated in 10 structures by 0.20 A. Peak 11556 from cnoeabs.peaks (4.40, 0.94, 25.07 ppm; 4.41 A): 3 out of 6 assignments used, quality = 0.95: HA THR 115 + QD1 LEU 119 OK 79 100 80 99 4.2-6.9 3638/11559=50...(15) HA ASN 120 + QD1 LEU 119 OK 56 71 80 99 4.5-6.1 2.9/3804=57, 4.9/3798=48...(25) HA PRO 113 + QD1 LEU 119 OK 45 63 80 89 1.7-7.7 3.6/10160=62...(13) HA THR 54 - QD1 LEU 119 poor 14 73 40 48 4.2-12.3 ~3789=9, ~9278=9...(9) HA VAL 112 - QD1 LEU 119 far 12 78 15 - 4.5-10.2 HA SER 107 - QD1 LEU 119 far 5 96 5 - 3.7-14.0 Violated in 4 structures by 0.05 A. Peak 11557 from cnoeabs.peaks (2.06, 0.94, 25.07 ppm; 4.14 A): 2 out of 11 assignments used, quality = 0.94: HB VAL 118 + QD1 LEU 119 OK 85 99 90 96 2.7-5.7 3741/3797=47...(22) HB2 LEU 62 + QD1 LEU 119 OK 64 99 65 99 3.9-9.6 9395/2.1=32...(42) HG3 PRO 113 - QD1 LEU 119 far 15 100 15 - 3.8-11.1 HG2 PRO 117 - QD1 LEU 119 far 10 97 10 - 5.2-7.4 HG3 PRO 117 - QD1 LEU 119 far 9 93 10 - 4.8-8.0 HB VAL 57 - QD1 LEU 119 poor 5 71 30 25 4.7-12.3 4.0/6707=13, 4.8/9323=3...(6) HB3 GLU 55 - QD1 LEU 119 far 4 76 5 - 5.5-14.5 HB2 GLU 102 - QD1 LEU 119 far 0 89 0 - 6.5-13.1 HG3 PRO 58 - QD1 LEU 119 far 0 99 0 - 6.7-13.4 QE MET 11 - QD1 LEU 119 far 0 73 0 - 9.1-34.4 HB3 GLN 27 - QD1 LEU 119 far 0 100 0 - 9.4-22.3 Violated in 13 structures by 0.22 A. Peak 11558 from cnoeabs.peaks (7.92, 0.80, 23.00 ppm; 5.55 A): 2 out of 5 assignments used, quality = 1.00: HD22 ASN 116 + QD2 LEU 119 OK 100 100 100 100 1.9-4.9 10222/2.1=99...(16) H THR 115 + QD2 LEU 119 OK 76 97 80 99 1.9-8.0 ~11623=54, 10166/2.1=52...(12) H VAL 112 - QD2 LEU 119 lone 1 85 35 5 5.0-10.7 3654/10232=2 H GLN 104 - QD2 LEU 119 far 0 85 0 - 7.3-10.4 H SER 106 - QD2 LEU 119 far 0 89 0 - 8.4-12.6 Violated in 0 structures by 0.00 A. Peak 11559 from cnoeabs.peaks (8.45, 0.94, 25.07 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: H ASN 116 + QD1 LEU 119 OK 100 100 100 100 1.9-4.4 7616/10295=80...(22) Violated in 0 structures by 0.00 A. Peak 11560 from cnoeabs.peaks (8.26, 4.42, 56.05 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: H LEU 123 + HA ASN 120 OK 100 100 100 100 3.5-4.4 7738=100, 7704/3.6=58...(20) H VAL 126 - HA ASN 120 far 0 57 0 - 7.2-8.1 Violated in 4 structures by 0.02 A. Peak 11561 from cnoeabs.peaks (2.80, 4.37, 64.81 ppm; 3.55 A): 2 out of 3 assignments used, quality = 0.76: HB2 ASN 120 + HA PRO 117 OK 64 100 65 98 3.9-6.7 11625=57, 10301/2.3=47...(17) HB3 ASN 120 + HA PRO 117 OK 34 100 35 98 3.8-6.2 1.8/11625=43...(17) HB2 ASN 121 - HA PRO 117 far 10 100 10 - 4.4-7.9 Violated in 20 structures by 0.59 A. Peak 11563 from cnoeabs.peaks (4.36, 2.80, 37.77 ppm; 3.97 A): 3 out of 12 assignments used, quality = 0.82: HA PRO 117 + HB2 ASN 120 OK 65 100 65 99 3.9-6.7 11561=65, 2.3/10301=60...(17) HA PRO 117 + HB3 ASN 120 OK 35 100 35 100 3.8-6.2 11561/1.8=55...(19) HA PRO 117 + HB2 ASN 121 OK 22 99 25 90 4.4-7.9 11600/11602=25...(17) HA CYS 125 - HB2 ASN 121 far 0 98 0 - 6.0-9.2 HA SER 107 - HB2 ASN 121 far 0 70 0 - 7.6-18.6 HA PRO 113 - HB3 ASN 120 far 0 98 0 - 8.0-15.1 HA CYS 125 - HB3 ASN 120 far 0 99 0 - 8.2-11.3 HA PRO 113 - HB2 ASN 120 far 0 98 0 - 8.6-15.5 HA LYS 24 - HB2 ASN 121 far 0 62 0 - 9.0-33.7 HA CYS 125 - HB2 ASN 120 far 0 99 0 - 9.0-11.0 HA ASN 59 - HB3 ASN 120 far 0 60 0 - 9.4-15.0 HA ASN 59 - HB2 ASN 120 far 0 60 0 - 10.0-15.8 Violated in 11 structures by 0.18 A. Peak 11564 from cnoeabs.peaks (1.86, 4.42, 56.05 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 123 + HA ASN 120 OK 100 100 100 100 2.4-3.5 3927=100, 1.8/3813=88...(22) HB3 LEU 119 + HA ASN 120 OK 95 96 100 99 4.0-4.8 11552/7738=44...(31) Violated in 0 structures by 0.00 A. Peak 11565 from cnoeabs.peaks (0.90, 4.42, 56.05 ppm; 3.88 A): 1 out of 8 assignments used, quality = 0.71: QD2 LEU 123 + HA ASN 120 OK 71 95 75 100 1.5-5.6 11632=89, 2.1/11631=55...(26) QD1 LEU 62 - HA ASN 120 far 14 90 15 - 4.0-9.1 QG1 VAL 118 - HA ASN 120 far 0 100 0 - 5.6-6.3 QD1 LEU 49 - HA ASN 120 far 0 92 0 - 5.6-8.5 QG2 VAL 63 - HA ASN 120 far 0 95 0 - 8.1-12.6 QD2 LEU 98 - HA ASN 120 far 0 81 0 - 8.2-13.1 QD2 LEU 69 - HA ASN 120 far 0 63 0 - 8.5-13.2 QD2 LEU 48 - HA ASN 120 far 0 97 0 - 9.7-13.4 Violated in 19 structures by 1.27 A. Peak 11566 from cnoeabs.peaks (1.65, 4.42, 56.05 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 123 + HA ASN 120 OK 100 100 100 100 2.1-4.6 3918=100, 1.8/3927=83...(24) HG LEU 62 - HA ASN 120 far 15 100 15 - 4.9-11.1 HG LEU 119 - HA ASN 120 far 0 71 0 - 6.2-6.6 Violated in 1 structures by 0.00 A. Peak 11567 from cnoeabs.peaks (4.42, 1.57, 26.72 ppm; 5.35 A): 2 out of 11 assignments used, quality = 1.00: HA ASN 120 + HG LEU 123 OK 100 100 100 100 2.6-5.2 11632/2.1=99...(22) HA THR 54 + HG LEU 123 OK 48 100 50 96 2.9-9.3 9277/2.1=49, ~9275=39...(10) HA VAL 112 - HG LEU 103 far 0 87 0 - 7.2-14.2 HA THR 115 - HG LEU 103 far 0 64 0 - 8.7-13.4 HA THR 54 - HG2 ARG 23 far 0 76 0 - 8.9-36.8 HA SER 33 - HG2 ARG 23 far 0 46 0 - 9.0-25.8 HA ASN 120 - HG LEU 49 far 0 77 0 - 9.0-12.6 HA THR 54 - HG LEU 49 far 0 77 0 - 9.1-12.1 HA SER 9 - HG2 ARG 23 far 0 41 0 - 9.3-26.5 HA ASN 120 - HG LEU 103 far 0 87 0 - 9.7-13.3 HA MET 11 - HG2 ARG 23 far 0 76 0 - 9.7-20.6 Violated in 0 structures by 0.00 A. Peak 11568 from cnoeabs.peaks (4.42, 0.93, 23.65 ppm; 4.92 A): 2 out of 11 assignments used, quality = 1.00: HA ASN 120 + QD1 LEU 123 OK 100 100 100 100 2.8-4.9 11632/2.1=96...(25) HA THR 54 + QD1 LEU 123 OK 81 100 85 95 2.1-7.1 9277=42, 1698/9275=37...(10) HA THR 54 - QD1 LEU 49 poor 11 53 20 - 5.9-9.4 HA ASN 120 - QD1 LEU 49 poor 11 53 20 - 5.6-8.5 HA SER 9 - QD2 LEU 48 far 0 21 0 - 7.2-36.8 HA MET 11 - QD2 LEU 48 far 0 43 0 - 7.4-32.3 HA THR 54 - QD2 LEU 48 far 0 43 0 - 8.7-13.1 HA SER 33 - QD2 LEU 48 far 0 24 0 - 8.8-17.4 HA HIS 5 - QD2 LEU 48 far 0 38 0 - 9.3-46.7 HA ASN 120 - QD2 LEU 48 far 0 42 0 - 9.7-13.4 HA ASP 71 - QD1 LEU 49 far 0 52 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 11569 from cnoeabs.peaks (4.41, 0.88, 25.36 ppm; 4.45 A): 2 out of 3 assignments used, quality = 0.96: HA ASN 120 + QD2 LEU 123 OK 94 95 100 100 1.5-5.6 11565=84, 3813/3.2=62...(26) HA THR 54 + QD2 LEU 123 OK 26 96 30 89 3.1-9.0 9277/2.1=29...(9) HA SER 107 - QD2 LEU 123 far 0 73 0 - 9.0-13.8 Violated in 16 structures by 0.53 A. Peak 11571 from cnoeabs.peaks (0.78, 1.65, 41.23 ppm; 3.83 A): 5 out of 11 assignments used, quality = 1.00: QD2 LEU 122 + HB2 LEU 123 OK 87 100 100 88 2.9-5.1 3907/3.9=24...(34) QD1 LEU 53 + HB2 LEU 123 OK 78 97 100 80 1.8-5.2 ~9254=32, 3907/3.9=15...(24) QD1 LEU 122 + HB2 LEU 123 OK 61 76 95 84 1.9-5.8 3899/3.9=19...(32) QD2 LEU 119 + HB2 LEU 123 OK 47 89 60 88 3.5-7.2 3.1/3923=18, 3.1/3922=16...(32) QD2 LEU 49 + HB2 LEU 123 OK 28 95 30 99 4.3-7.9 2.1/3925=25...(54) QD1 LEU 96 - HB2 LEU 123 far 0 96 0 - 7.0-9.9 QD1 LEU 103 - HB2 LEU 123 far 0 100 0 - 7.1-11.5 QG1 VAL 63 - HB2 LEU 123 far 0 100 0 - 7.6-11.4 QD1 ILE 37 - HB2 LEU 123 far 0 100 0 - 9.4-17.7 QD1 ILE 32 - HB2 LEU 123 far 0 99 0 - 9.5-15.2 QD2 LEU 43 - HB2 LEU 123 far 0 60 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 11573 from cnoeabs.peaks (4.22, 1.65, 41.23 ppm; 4.61 A): 1 out of 5 assignments used, quality = 0.88: HA SER 124 + HB2 LEU 123 OK 88 89 100 99 3.8-5.6 2.9/7763=78, ~7764=56...(15) HA SER 51 - HB2 LEU 123 far 0 99 0 - 7.7-11.4 HA GLU 128 - HB2 LEU 123 far 0 65 0 - 8.4-11.5 HA SER 99 - HB2 LEU 123 far 0 99 0 - 8.4-12.3 HA HIS 67 - HB2 LEU 123 far 0 99 0 - 8.8-12.2 Violated in 17 structures by 0.64 A. Peak 11574 from cnoeabs.peaks (8.07, 0.88, 25.36 ppm; 4.52 A): 2 out of 6 assignments used, quality = 0.80: H CYS 125 + QD2 LEU 123 OK 64 68 95 98 4.9-6.0 3.4/3951=52, ~7765=39...(18) H ASN 120 + QD2 LEU 123 OK 44 99 45 100 3.7-6.9 2.9/11632=78, ~11631=38...(30) H LEU 48 - QD2 LEU 123 far 0 73 0 - 6.2-10.0 H LEU 103 - QD2 LEU 123 far 0 95 0 - 8.5-11.5 H VAL 20 - QD2 LEU 123 far 0 99 0 - 9.2-28.8 H ALA 109 - QD2 LEU 123 far 0 93 0 - 9.9-14.2 Violated in 19 structures by 0.54 A. Peak 11575 from cnoeabs.peaks (6.80, 0.88, 25.36 ppm; 4.83 A): 1 out of 3 assignments used, quality = 0.63: HE21 GLN 127 + QD2 LEU 123 OK 63 76 85 98 2.8-7.7 3.5/11581=58...(14) HD22 ASN 120 - QD2 LEU 123 far 3 68 5 - 4.5-9.0 QE TYR 72 - QD2 LEU 123 far 0 97 0 - 6.8-12.4 Violated in 10 structures by 0.56 A. Peak 11576 from cnoeabs.peaks (7.46, 0.93, 23.65 ppm; 4.70 A): 2 out of 8 assignments used, quality = 0.94: HE22 GLN 127 + QD1 LEU 123 OK 90 95 95 100 1.6-6.7 3.5/11637=73...(17) HE22 GLN 127 + QD1 LEU 49 OK 45 46 100 97 1.8-4.3 10434=48, 1.7/10431=38...(13) H LEU 62 - QD1 LEU 123 far 6 60 10 - 5.8-12.4 HE22 GLN 127 - QD2 LEU 48 far 0 37 0 - 6.7-8.8 H LEU 42 - QD2 LEU 48 far 0 28 0 - 6.8-11.5 H LEU 62 - QD1 LEU 49 far 0 25 0 - 7.1-9.6 H LEU 42 - QD1 LEU 49 far 0 35 0 - 9.2-11.0 H GLN 134 - QD1 LEU 49 far 0 35 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 11577 from cnoeabs.peaks (6.80, 0.93, 23.65 ppm; 5.85 A): 3 out of 8 assignments used, quality = 0.91: HE21 GLN 127 + QD1 LEU 123 OK 76 76 100 100 2.1-6.0 11575/2.1=96...(16) HD22 ASN 120 + QD1 LEU 123 OK 43 68 70 89 5.8-8.7 4.4/11631=66, ~10305=24...(9) HE21 GLN 127 + QD1 LEU 49 OK 33 34 100 99 1.7-5.3 1.7/10434=52...(14) QE TYR 72 - QD2 LEU 48 poor 18 39 65 70 5.0-9.5 9144/10887=23...(8) QE TYR 72 - QD1 LEU 49 poor 17 49 35 - 5.7-9.6 HE21 GLN 127 - QD2 LEU 48 poor 11 27 40 - 5.6-10.3 QE TYR 72 - QD1 LEU 123 far 5 97 5 - 7.3-13.4 HD22 ASN 120 - QD1 LEU 49 far 0 29 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 11578 from cnoeabs.peaks (2.48, 0.93, 23.65 ppm; 3.93 A): 2 out of 11 assignments used, quality = 0.97: HG3 GLN 127 + QD1 LEU 123 OK 94 100 95 99 1.6-6.0 1.8/11638=76, 10437=51...(20) HG3 GLN 127 + QD1 LEU 49 OK 49 52 100 93 1.7-4.9 10437=47, 1.8/10727=36...(14) HG3 GLU 44 - QD2 LEU 48 poor 12 21 55 - 2.9-9.6 HG2 GLU 55 - QD1 LEU 123 far 0 90 0 - 5.5-9.4 HG2 GLU 55 - QD2 LEU 48 far 0 34 0 - 6.2-11.9 HG2 GLU 55 - QD1 LEU 49 far 0 43 0 - 6.9-10.7 HG3 GLN 127 - QD2 LEU 48 far 0 42 0 - 6.9-10.3 HG3 GLU 44 - QD1 LEU 49 far 0 27 0 - 8.0-11.3 HG3 GLN 104 - QD1 LEU 123 far 0 98 0 - 9.2-16.5 HG3 GLN 104 - QD1 LEU 49 far 0 50 0 - 9.5-14.4 HG2 MET 11 - QD2 LEU 48 far 0 34 0 - 9.6-30.7 Violated in 1 structures by 0.01 A. Peak 11579 from cnoeabs.peaks (2.36, 0.93, 23.65 ppm; 3.75 A): 2 out of 18 assignments used, quality = 0.97: HG2 GLN 127 + QD1 LEU 123 OK 94 100 95 99 1.7-5.5 1.8/11637=73, 10727=46...(20) HG2 GLN 127 + QD1 LEU 49 OK 47 52 100 91 2.2-4.1 10727=42, 1.8/10437=37...(13) HG2 GLU 44 - QD2 LEU 48 poor 15 28 55 - 1.9-9.3 HG2 GLN 27 - QD2 LEU 48 far 4 41 10 - 4.4-20.9 HG3 GLN 27 - QD2 LEU 48 far 2 43 5 - 3.8-20.2 HG3 GLU 30 - QD2 LEU 48 far 1 21 5 - 5.1-18.7 HG2 GLU 128 - QD1 LEU 123 far 0 92 0 - 6.7-10.7 HG2 GLU 128 - QD1 LEU 49 far 0 44 0 - 7.2-9.2 HG2 GLN 127 - QD2 LEU 48 far 0 42 0 - 7.3-9.3 HG3 GLN 27 - QD1 LEU 49 far 0 53 0 - 7.6-20.4 HG2 GLU 44 - QD1 LEU 49 far 0 35 0 - 7.6-10.3 HG3 GLU 30 - QD1 LEU 49 far 0 27 0 - 7.6-18.3 HG2 GLN 27 - QD1 LEU 49 far 0 51 0 - 7.8-21.5 HB2 PRO 117 - QD1 LEU 123 far 0 100 0 - 9.2-11.7 HG2 GLN 104 - QD1 LEU 123 far 0 78 0 - 9.4-16.6 HG3 GLN 27 - QD1 LEU 123 far 0 100 0 - 9.7-22.2 HG2 GLN 104 - QD1 LEU 49 far 0 35 0 - 9.9-13.9 HG2 GLU 44 - QD1 LEU 123 far 0 78 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 11580 from cnoeabs.peaks (2.78, 0.88, 25.36 ppm; 4.91 A): 0 out of 7 assignments used, quality = 0.00: HB3 ASN 120 - QD2 LEU 123 far 7 68 10 - 2.9-7.6 HB2 ASN 121 - QD2 LEU 123 far 4 73 5 - 6.3-8.6 HB2 ASN 120 - QD2 LEU 123 far 3 68 5 - 3.9-7.9 HB2 ASP 64 - QD2 LEU 123 far 0 73 0 - 6.6-11.4 HB3 ASP 64 - QD2 LEU 123 far 0 65 0 - 7.6-12.1 HB2 ASP 131 - QD2 LEU 123 far 0 100 0 - 7.8-11.6 HB2 CYS 73 - QD2 LEU 123 far 0 65 0 - 8.5-12.1 Violated in 19 structures by 0.87 A. Peak 11581 from cnoeabs.peaks (2.48, 0.88, 25.36 ppm; 5.00 A): 1 out of 3 assignments used, quality = 0.97: HG3 GLN 127 + QD2 LEU 123 OK 97 97 100 100 1.8-5.8 11637/2.1=97...(23) HG2 GLU 55 - QD2 LEU 123 far 5 97 5 - 5.7-10.5 HG3 GLN 104 - QD2 LEU 123 far 0 100 0 - 7.4-15.1 Violated in 5 structures by 0.12 A. Peak 11582 from cnoeabs.peaks (2.34, 0.88, 25.36 ppm; 5.08 A): 1 out of 7 assignments used, quality = 0.90: HG2 GLN 127 + QD2 LEU 123 OK 90 90 100 100 1.6-4.8 11638/2.1=88...(20) HG3 GLN 68 - QD2 LEU 123 far 0 92 0 - 7.4-13.5 HB2 PRO 117 - QD2 LEU 123 far 0 76 0 - 8.0-11.9 HG3 GLN 27 - QD2 LEU 123 far 0 83 0 - 8.4-19.7 HG2 GLN 27 - QD2 LEU 123 far 0 93 0 - 8.9-20.6 HG3 GLU 30 - QD2 LEU 123 far 0 99 0 - 9.2-18.7 HG2 GLU 44 - QD2 LEU 123 far 0 100 0 - 9.4-15.7 Violated in 0 structures by 0.00 A. Peak 11583 from cnoeabs.peaks (1.25, 0.88, 25.36 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.57: QG2 THR 65 + QD2 LEU 123 OK 44 87 70 72 2.0-6.6 11640/2.1=18...(21) QG2 THR 54 + QD2 LEU 123 OK 24 99 30 82 3.6-8.6 9275/2.1=42, 9275=35...(13) Violated in 13 structures by 0.41 A. Peak 11584 from cnoeabs.peaks (1.25, 0.93, 23.65 ppm; 3.20 A): 4 out of 6 assignments used, quality = 0.73: QG2 THR 65 + QD1 LEU 49 OK 36 39 100 93 2.9-4.5 11025/2.1=30...(24) QG2 THR 54 + QD1 LEU 123 OK 33 99 45 73 2.4-6.4 9275=39, 9275/2.1=28...(10) QG2 THR 65 + QD2 LEU 48 OK 22 31 75 93 2.0-5.4 9441/2.1=33...(24) QG2 THR 65 + QD1 LEU 123 OK 21 85 35 70 3.5-7.6 11510/2.1=38...(18) QG2 THR 54 - QD1 LEU 49 far 3 51 5 - 4.7-8.2 QG2 THR 54 - QD2 LEU 48 far 0 41 0 - 6.5-11.9 Violated in 2 structures by 0.02 A. Peak 11587 from cnoeabs.peaks (0.89, 4.24, 61.64 ppm; 5.77 A): 4 out of 12 assignments used, quality = 1.00: QD2 LEU 123 + HA SER 124 OK 100 100 100 100 4.4-5.8 3951/2.9=84...(20) QD2 LEU 98 + HA SER 94 OK 86 87 100 98 3.6-5.9 11438/3.0=79...(9) QD1 LEU 49 + HA SER 124 OK 63 76 100 84 3.9-7.2 10437/11672=23...(11) QD1 LEU 98 + HA SER 94 OK 56 58 100 96 4.2-7.1 ~11918=68, ~11438=58...(9) QD2 LEU 69 - HA SER 124 far 12 83 15 - 6.8-10.9 QG1 VAL 118 - HA SER 94 far 5 91 5 - 7.2-11.0 QD1 LEU 62 - HA SER 124 far 4 73 5 - 6.9-11.2 QG1 VAL 118 - HA SER 124 far 0 97 0 - 7.3-9.3 QG2 VAL 57 - HA SER 124 far 0 65 0 - 8.4-13.0 QD2 LEU 69 - HA SER 94 far 0 75 0 - 8.5-12.7 QD2 LEU 98 - HA SER 124 far 0 95 0 - 8.6-13.4 QD2 LEU 48 - HA SER 124 far 0 85 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 11588 from cnoeabs.peaks (0.76, 4.24, 61.64 ppm; 5.70 A): 4 out of 13 assignments used, quality = 1.00: QD1 LEU 96 + HA SER 94 OK 91 91 100 100 3.7-6.1 11451/11458=58...(23) QG1 VAL 93 + HA SER 94 OK 89 89 100 100 2.9-5.1 2.1/9956=96, 9963=93...(24) QD2 LEU 96 + HA SER 94 OK 87 87 100 100 3.1-5.8 11806/4.9=63...(22) QD2 LEU 122 + HA SER 124 OK 45 71 70 91 5.5-8.0 ~10371=29, ~10373=26...(16) QD1 LEU 96 - HA SER 124 far 5 97 5 - 7.2-9.6 QD2 LEU 96 - HA SER 124 far 5 95 5 - 6.5-10.0 QD1 ILE 32 - HA SER 94 far 0 84 0 - 7.3-17.0 QD2 LEU 122 - HA SER 94 far 0 63 0 - 7.3-11.1 HG12 ILE 129 - HA SER 94 far 0 89 0 - 7.5-9.3 HG12 ILE 129 - HA SER 124 far 0 96 0 - 7.7-10.1 QD2 LEU 43 - HA SER 124 far 0 99 0 - 8.7-12.3 QD2 LEU 103 - HA SER 124 far 0 81 0 - 9.8-12.9 QG1 VAL 93 - HA SER 124 far 0 96 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 11589 from cnoeabs.peaks (4.00, 4.35, 62.64 ppm; 4.03 A): 2 out of 6 assignments used, quality = 0.87: HB2 SER 124 + HA CYS 125 OK 69 98 80 88 3.8-5.6 7780/2.9=57, ~3979=39...(11) HB3 SER 124 + HA CYS 125 OK 58 71 100 82 4.5-5.4 ~7780=38, 3979/2.9=35...(9) HA LYS 95 - HA CYS 125 far 0 92 0 - 6.8-8.4 HB3 SER 99 - HA CYS 125 far 0 100 0 - 7.7-9.6 HA GLU 91 - HA CYS 125 far 0 73 0 - 8.1-11.3 HA SER 50 - HA CYS 125 far 0 99 0 - 8.7-11.1 Violated in 5 structures by 0.11 A. Peak 11590 from cnoeabs.peaks (4.20, 4.35, 62.64 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.94: HA GLU 128 + HA CYS 125 OK 94 99 95 100 5.3-6.0 3.0/3986=73, 2.9/7839=69...(19) HA ALA 88 - HA CYS 125 far 0 100 0 - 7.5-11.2 HA SER 94 - HA CYS 125 far 0 60 0 - 9.3-10.6 Violated in 20 structures by 1.13 A. Peak 11591 from cnoeabs.peaks (1.65, 4.35, 62.64 ppm; 5.69 A): 3 out of 5 assignments used, quality = 0.79: HD2 LYS 95 + HA CYS 125 OK 48 99 50 98 3.2-9.7 11449/3.0=42...(16) HD3 LYS 95 + HA CYS 125 OK 42 95 45 99 4.9-8.8 11651/3.0=52...(20) QB ALA 88 + HA CYS 125 OK 29 92 45 71 6.3-9.0 11318/10376=32...(6) HB2 LEU 123 - HA CYS 125 far 0 100 0 - 7.4-8.5 HB2 LEU 69 - HA CYS 125 far 0 76 0 - 8.4-11.5 Violated in 15 structures by 0.43 A. Peak 11592 from cnoeabs.peaks (1.96, 4.35, 62.64 ppm; 6.26 A): 2 out of 3 assignments used, quality = 0.97: HB3 LYS 95 + HA CYS 125 OK 87 87 100 100 5.1-6.7 11658/3.0=42...(24) HB2 LYS 95 + HA CYS 125 OK 81 81 100 100 4.4-6.0 9948/10376=68...(24) HG LEU 53 - HA CYS 125 far 0 78 0 - 8.3-12.4 Violated in 0 structures by 0.00 A. Peak 11593 from cnoeabs.peaks (2.42, 4.35, 62.64 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 128 + HA CYS 125 OK 100 100 100 100 3.4-6.3 11698=100, 3.0/3986=95...(19) HG3 GLU 97 - HA CYS 125 far 0 100 0 - 9.3-11.0 Violated in 7 structures by 0.10 A. Peak 11594 from cnoeabs.peaks (2.36, 4.35, 62.64 ppm; 6.17 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 128 + HA CYS 125 OK 97 97 100 100 2.7-5.9 1.8/11648=100...(22) HG2 GLN 127 + HA CYS 125 OK 94 98 100 96 4.6-6.9 4067/7839=54, ~10360=38...(10) Violated in 0 structures by 0.00 A. Peak 11595 from cnoeabs.peaks (1.63, 2.74, 27.12 ppm; 5.10 A): 3 out of 6 assignments used, quality = 0.72: HB2 LEU 122 + HB2 CYS 125 OK 52 87 60 100 4.9-7.4 1.8/11653=76, ~11657=38...(26) HD2 LYS 95 + HB2 CYS 125 OK 25 65 40 95 3.6-8.8 3.7/11652=35...(14) HG LEU 122 + HB2 CYS 125 OK 23 78 30 100 5.3-8.4 3.0/11653=64...(21) HG LEU 70 - HB2 CYS 125 far 9 92 10 - 5.9-9.5 HB2 LEU 123 - HB2 CYS 125 far 0 76 0 - 6.7-9.0 HB2 LEU 98 - HB2 CYS 125 far 0 71 0 - 8.1-11.1 Violated in 15 structures by 0.36 A. Peak 11596 from cnoeabs.peaks (1.92, 2.74, 27.12 ppm; 5.43 A): 2 out of 6 assignments used, quality = 0.98: HB2 LYS 95 + HB2 CYS 125 OK 88 89 100 100 2.3-5.1 11597/1.8=49...(22) HB3 LYS 95 + HB2 CYS 125 OK 82 83 100 100 3.3-5.9 11597/1.8=46...(22) HB3 LEU 123 - HB2 CYS 125 poor 9 47 20 - 6.6-8.5 HG LEU 53 - HB2 CYS 125 far 0 90 0 - 8.3-13.4 HB3 LEU 49 - HB2 CYS 125 far 0 100 0 - 8.7-13.1 HB2 ARG 90 - HB2 CYS 125 far 0 99 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 11597 from cnoeabs.peaks (1.92, 3.21, 27.12 ppm; 4.61 A): 2 out of 7 assignments used, quality = 0.99: HB2 LYS 95 + HB3 CYS 125 OK 92 93 100 99 2.8-5.7 11652/1.8=38, 11447=37...(24) HB3 LYS 95 + HB3 CYS 125 OK 87 89 100 99 3.3-5.8 11652/1.8=37, 11447=37...(24) HB3 LEU 123 - HB3 CYS 125 far 0 42 0 - 6.4-8.8 HG LEU 53 - HB3 CYS 125 far 0 95 0 - 8.7-13.0 HB3 LEU 49 - HB3 CYS 125 far 0 99 0 - 9.0-12.3 HB3 ARG 90 - HB3 CYS 125 far 0 63 0 - 9.4-13.5 HB2 ARG 90 - HB3 CYS 125 far 0 97 0 - 9.9-13.9 Violated in 2 structures by 0.02 A. Peak 11598 from cnoeabs.peaks (7.89, 3.43, 67.09 ppm; 6.08 A): 1 out of 2 assignments used, quality = 1.00: H GLU 128 + HA VAL 126 OK 100 100 100 100 4.4-4.9 7855/4006=84...(21) H GLN 68 - HA VAL 126 far 0 71 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 11599 from cnoeabs.peaks (8.44, 0.96, 22.68 ppm; 5.57 A): 2 out of 3 assignments used, quality = 0.75: H LEU 70 + QG1 VAL 126 OK 52 71 100 74 2.6-6.5 3.6/10395=21, ~10396=16...(12) H ASP 47 + QG1 VAL 126 OK 48 89 55 99 5.3-9.1 3.7/10409=96...(9) H VAL 93 - QG1 VAL 126 poor 19 99 40 48 6.2-8.7 10454/10410=41...(4) Violated in 2 structures by 0.03 A. Peak 11600 from cnoeabs.peaks (8.52, 0.96, 22.68 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.34: H ALA 46 + QG1 VAL 126 OK 34 97 35 100 4.4-8.1 3.1/10409=91, ~11616=49...(22) H GLU 97 - QG1 VAL 126 poor 14 73 35 56 4.8-7.7 4.4/11620=23...(7) Violated in 19 structures by 1.72 A. Peak 11601 from cnoeabs.peaks (8.66, 0.96, 22.68 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.35: H SER 50 + QG1 VAL 126 OK 35 100 40 88 4.5-8.1 11785=31, 9213/10409=31...(14) H HIS 67 - QG1 VAL 126 far 10 100 10 - 4.5-7.7 H PHE 89 - QG1 VAL 126 far 0 63 0 - 9.8-11.8 Violated in 20 structures by 1.91 A. Peak 11602 from cnoeabs.peaks (8.02, 0.96, 22.68 ppm; 4.18 A): 3 out of 7 assignments used, quality = 0.98: H ILE 129 + QG1 VAL 126 OK 81 83 100 97 4.6-5.4 3.8/11618=48...(16) H CYS 125 + QG1 VAL 126 OK 75 81 95 98 3.6-5.9 7792/4.0=47...(27) H SER 130 + QG1 VAL 126 OK 65 95 70 98 4.0-6.0 11603/2.1=45...(15) H LEU 48 - QG1 VAL 126 far 0 76 0 - 6.1-10.3 H ALA 52 - QG1 VAL 126 far 0 99 0 - 7.0-10.2 H TYR 76 - QG1 VAL 126 far 0 81 0 - 8.5-11.5 H VAL 57 - QG1 VAL 126 far 0 90 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 11603 from cnoeabs.peaks (8.03, 0.96, 23.84 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.95: H SER 130 + QG2 VAL 126 OK 90 100 95 95 4.1-5.9 10497=37, 10498/11616=33...(14) H CYS 125 + QG2 VAL 126 OK 44 97 45 100 3.4-6.0 7792/4021=61...(28) H LEU 48 - QG2 VAL 126 far 0 96 0 - 6.0-8.3 H ALA 52 - QG2 VAL 126 far 0 100 0 - 7.0-9.9 H TYR 76 - QG2 VAL 126 far 0 97 0 - 7.9-11.4 Violated in 10 structures by 0.10 A. Peak 11604 from cnoeabs.peaks (4.05, 0.96, 22.68 ppm; 4.96 A): 3 out of 9 assignments used, quality = 1.00: HA LEU 96 + QG1 VAL 126 OK 97 97 100 100 2.6-5.8 11689/2.1=94...(28) HA LEU 122 + QG1 VAL 126 OK 94 100 95 99 2.8-6.5 4.9/10393=55...(26) HB3 SER 124 + QG1 VAL 126 OK 38 78 60 81 5.3-7.9 ~10398=34, 4.5/10365=32...(14) HB THR 65 - QG1 VAL 126 poor 19 93 20 - 5.3-8.7 HA ALA 92 - QG1 VAL 126 far 15 100 15 - 6.2-8.6 HA LEU 119 - QG1 VAL 126 poor 11 68 45 34 5.6-8.1 3762/11749=15...(7) HB3 SER 74 - QG1 VAL 126 far 0 89 0 - 6.5-11.4 HB2 SER 74 - QG1 VAL 126 far 0 90 0 - 6.6-10.6 HA GLU 44 - QG1 VAL 126 far 0 100 0 - 7.9-11.5 Violated in 1 structures by 0.02 A. Peak 11605 from cnoeabs.peaks (4.21, 3.97, 58.71 ppm; 4.45 A): 4 out of 6 assignments used, quality = 0.99: HA GLU 128 + HA GLN 127 OK 88 89 100 99 4.8-4.9 4.9=76, ~4058=33...(18) HA ALA 88 + HA GLU 91 OK 71 71 100 100 5.1-5.7 2868/3.0=71, 2860/3.0=67...(13) HA SER 124 + HA GLN 127 OK 54 65 85 97 5.4-6.0 11672/3.8=50...(13) HA SER 94 + HA GLU 91 OK 35 58 85 70 5.4-6.1 3.6/7297=30, 3.0/2938=26...(6) HA SER 51 - HA GLN 127 far 0 100 0 - 8.2-11.4 HA ALA 28 - HA GLU 91 far 0 48 0 - 8.7-28.3 Violated in 0 structures by 0.00 A. Peak 11606 from cnoeabs.peaks (4.24, 2.35, 33.92 ppm; 3.54 A): 3 out of 27 assignments used, quality = 1.00: HA SER 124 + HG2 GLN 127 OK 95 100 100 95 2.0-4.5 11672/1.8=52...(14) HA GLN 27 + HG2 GLN 27 OK 85 85 100 99 2.4-3.8 3.7=87, 697/1.8=37...(14) HA GLN 27 + HG3 GLN 27 OK 83 84 100 99 2.3-3.7 3.7=87, 696/1.8=37...(15) HA LYS 26 - HG2 GLN 27 poor 15 52 30 - 3.9-7.0 HA LYS 26 - HG3 GLN 27 poor 13 51 50 51 4.0-6.2 3.6/6274=24...(9) HA ALA 28 - HG2 GLN 27 far 4 84 5 - 4.2-6.9 HA ALA 28 - HG3 GLN 27 far 0 83 0 - 5.1-6.7 HA SER 94 - HG2 GLN 27 far 0 80 0 - 5.7-30.3 HA HIS 67 - HG2 GLN 27 far 0 54 0 - 5.9-20.8 HA ALA 29 - HG3 GLN 27 far 0 74 0 - 5.9-8.1 HA GLU 30 - HG3 GLN 27 far 0 69 0 - 6.0-11.8 HA GLU 30 - HG2 GLN 27 far 0 70 0 - 6.1-12.1 HA ALA 29 - HG2 GLN 27 far 0 75 0 - 6.4-9.0 HA SER 99 - HG2 GLN 27 far 0 54 0 - 6.5-28.5 HA SER 94 - HG3 GLN 27 far 0 79 0 - 6.7-28.9 HB3 SER 38 - HG3 GLN 27 far 0 63 0 - 6.8-24.4 HA LEU 22 - HG2 GLN 27 far 0 54 0 - 7.0-16.6 HA LYS 19 - HG3 GLN 27 far 0 55 0 - 7.1-22.3 HA LYS 19 - HG2 GLN 27 far 0 56 0 - 7.2-23.5 HA SER 51 - HG2 GLN 27 far 0 52 0 - 7.4-32.1 HA HIS 67 - HG3 GLN 27 far 0 53 0 - 7.5-19.4 HA SER 51 - HG2 GLN 127 far 0 68 0 - 7.5-9.6 HA LEU 22 - HG3 GLN 27 far 0 53 0 - 7.5-15.4 HA SER 99 - HG3 GLN 27 far 0 53 0 - 7.8-27.1 HA SER 51 - HG3 GLN 27 far 0 51 0 - 7.9-31.1 HB3 SER 38 - HG2 GLN 27 far 0 64 0 - 8.1-23.5 HA ALA 34 - HG3 GLN 27 far 0 67 0 - 9.3-18.5 Violated in 0 structures by 0.00 A. Peak 11607 from cnoeabs.peaks (4.24, 2.49, 33.92 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: HA SER 124 + HG3 GLN 127 OK 100 100 100 100 1.9-5.3 3966/3.0=77, 4049/3.0=73...(13) HA SER 51 - HG3 GLN 127 far 0 68 0 - 6.4-10.5 Violated in 7 structures by 0.08 A. Peak 11608 from cnoeabs.peaks (3.84, 2.49, 33.92 ppm; 5.30 A): 3 out of 4 assignments used, quality = 1.00: HA LEU 123 + HG3 GLN 127 OK 99 100 100 100 3.6-5.8 4.0/11637=73...(12) HB2 SER 50 + HG3 GLN 127 OK 98 99 100 98 1.9-5.6 11609/1.8=38...(18) HB2 SER 130 + HG3 GLN 127 OK 36 78 65 72 4.9-7.4 4175/3.8=31, ~10507=23...(8) HA LEU 62 - HG3 GLN 127 far 0 100 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 11609 from cnoeabs.peaks (3.85, 2.35, 33.92 ppm; 5.01 A): 3 out of 14 assignments used, quality = 1.00: HA LEU 123 + HG2 GLN 127 OK 97 100 100 97 2.4-4.6 4.0/11638=71...(11) HB2 SER 50 + HG2 GLN 127 OK 96 99 100 97 3.1-5.5 11673/1.8=35...(17) HB2 SER 130 + HG2 GLN 127 OK 24 73 50 66 5.8-7.7 4175/3.8=27, ~10507=20...(8) HB3 SER 33 - HG3 GLN 27 far 0 82 0 - 6.6-18.9 HA GLU 40 - HG3 GLN 27 far 0 83 0 - 7.1-25.9 HA LEU 62 - HG3 GLN 27 far 0 84 0 - 7.1-22.6 HB3 SER 33 - HG2 GLN 27 far 0 84 0 - 7.5-18.7 HA LEU 62 - HG2 GLN 27 far 0 86 0 - 7.7-23.5 HA GLU 40 - HG2 GLN 27 far 0 85 0 - 7.7-26.8 HB2 SER 50 - HG3 GLN 27 far 0 81 0 - 8.6-28.4 HA LEU 62 - HG2 GLN 127 far 0 100 0 - 8.6-11.6 HB2 SER 130 - HG3 GLN 27 far 0 55 0 - 9.4-23.5 HB2 SER 50 - HG2 GLN 27 far 0 82 0 - 9.7-29.6 HD3 PRO 58 - HG3 GLN 27 far 0 51 0 - 9.9-28.3 Violated in 0 structures by 0.00 A. Peak 11610 from cnoeabs.peaks (0.91, 2.23, 27.80 ppm; 5.35 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 49 + HB3 GLN 127 OK 98 100 100 98 1.8-5.4 10435/4062=45...(15) QD1 LEU 123 + HB3 GLN 127 OK 84 89 95 100 2.4-7.0 11638/4062=77...(14) QD2 LEU 123 + HB3 GLN 127 OK 61 68 90 100 3.6-6.9 ~11637=65, ~11638=64...(25) QD1 LEU 48 - HB3 GLN 127 far 14 95 15 - 6.5-11.2 QD2 LEU 48 - HB3 GLN 127 far 0 100 0 - 7.1-10.4 QD1 LEU 62 - HB3 GLN 127 far 0 100 0 - 7.3-12.2 QG1 VAL 118 - HB3 GLN 127 far 0 97 0 - 8.4-12.3 QG2 ILE 37 - HB3 GLN 127 far 0 71 0 - 9.1-15.2 Violated in 0 structures by 0.00 A. Peak 11611 from cnoeabs.peaks (0.94, 3.97, 58.71 ppm; 4.52 A): 4 out of 11 assignments used, quality = 1.00: QG1 VAL 126 + HA GLN 127 OK 85 85 100 100 2.9-5.4 10394=64, ~7809=48...(25) QD1 LEU 123 + HA GLN 127 OK 76 97 80 98 4.1-7.9 11637/3.8=63...(17) QG2 VAL 126 + HA GLN 127 OK 68 68 100 100 2.8-5.4 2.1/10394=78, ~7809=48...(23) QD1 LEU 49 + HA GLN 127 OK 62 71 100 88 2.7-4.8 10437/3.8=29...(17) QD2 LEU 53 - HA GLN 127 far 6 60 10 - 4.2-9.1 QD1 LEU 48 - HA GLN 127 far 0 93 0 - 6.4-10.2 QD2 LEU 48 - HA GLN 127 far 0 60 0 - 7.1-9.5 QG2 ILE 37 - HA GLN 127 far 0 100 0 - 7.6-13.2 QD1 LEU 62 - HA GLN 127 far 0 73 0 - 8.8-11.6 QG1 VAL 126 - HA GLU 91 far 0 58 0 - 9.3-11.9 QG2 VAL 126 - HA GLU 91 far 0 44 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 11613 from cnoeabs.peaks (0.81, 0.96, 22.68 ppm; 2.98 A): 5 out of 12 assignments used, quality = 0.99: QD1 LEU 122 + QG1 VAL 126 OK 81 100 95 86 1.7-5.4 11681/2.1=19...(29) QD2 LEU 49 + QG1 VAL 126 OK 69 97 95 76 1.8-4.6 2.1/11615=23...(14) QD2 LEU 122 + QG1 VAL 126 OK 61 81 90 83 1.5-4.8 1676=20, 11681/2.1=16...(28) QD1 LEU 70 + QG1 VAL 126 OK 25 97 55 47 1.7-7.3 4.3/11665=8, 11681/2.1=7...(19) QD1 LEU 53 + QG1 VAL 126 OK 24 93 55 47 2.5-7.0 6621/11601=9, ~11679=7...(18) QG2 ILE 129 - QG1 VAL 126 far 5 93 5 - 4.1-6.2 QG1 VAL 133 - QG1 VAL 126 far 0 60 0 - 5.4-7.8 QD2 LEU 119 - QG1 VAL 126 far 0 99 0 - 5.8-9.4 QD1 ILE 37 - QG1 VAL 126 far 0 60 0 - 6.0-10.9 QG1 VAL 63 - QG1 VAL 126 far 0 71 0 - 6.9-8.9 QD1 LEU 103 - QG1 VAL 126 far 0 68 0 - 6.9-10.1 QG2 ILE 80 - QG1 VAL 126 far 0 99 0 - 8.1-13.0 Violated in 0 structures by 0.00 A. Peak 11614 from cnoeabs.peaks (0.80, 0.96, 23.84 ppm; 2.79 A): 4 out of 14 assignments used, quality = 0.97: QD2 LEU 49 + QG2 VAL 126 OK 72 100 100 72 1.6-3.4 3.2/11679=19...(14) QD1 LEU 122 + QG2 VAL 126 OK 64 98 80 82 2.1-5.5 3.1/11678=19...(26) QD2 LEU 122 + QG2 VAL 126 OK 61 97 75 84 1.7-5.6 1676=23, 3.1/11678=19...(24) QD1 LEU 96 + QG2 VAL 126 OK 34 68 75 67 1.8-5.3 4.0/11689=22, ~11807=12...(13) QD1 LEU 70 - QG2 VAL 126 poor 19 81 60 38 1.9-6.9 2.1/11677=6, 3.8/10396=5...(15) QD1 LEU 53 - QG2 VAL 126 poor 16 100 40 40 3.1-7.3 2.1/11679=9, 1676=6...(13) QG2 ILE 129 - QG2 VAL 126 poor 15 73 20 - 3.8-6.0 QD2 LEU 119 - QG2 VAL 126 far 0 100 0 - 5.3-10.4 QD1 ILE 37 - QG2 VAL 126 far 0 85 0 - 6.0-11.8 QG1 VAL 63 - QG2 VAL 126 far 0 92 0 - 6.2-8.5 QD1 ILE 32 - QG2 VAL 126 far 0 81 0 - 6.4-11.0 QG2 ILE 80 - QG2 VAL 126 far 0 90 0 - 7.7-12.3 QD1 LEU 103 - QG2 VAL 126 far 0 90 0 - 7.7-10.6 HG13 ILE 80 - QG2 VAL 126 far 0 68 0 - 9.8-14.4 Violated in 0 structures by 0.00 A. Peak 11615 from cnoeabs.peaks (1.57, 0.96, 22.68 ppm; 3.89 A): 2 out of 7 assignments used, quality = 0.78: HG LEU 49 + QG1 VAL 126 OK 61 100 70 88 3.4-7.0 2.1/11676=24...(16) HG LEU 123 + QG1 VAL 126 OK 44 100 55 80 4.1-6.5 3.7/10393=49...(15) HB3 LEU 42 - QG1 VAL 126 far 0 76 0 - 6.3-10.3 HB2 LEU 119 - QG1 VAL 126 far 0 78 0 - 6.9-9.5 HG13 ILE 37 - QG1 VAL 126 far 0 99 0 - 7.8-14.8 HB2 LEU 103 - QG1 VAL 126 far 0 97 0 - 8.2-10.9 HG LEU 103 - QG1 VAL 126 far 0 97 0 - 8.2-11.0 Violated in 12 structures by 0.57 A. Peak 11616 from cnoeabs.peaks (1.34, 0.96, 23.84 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 46 + QG2 VAL 126 OK 100 100 100 100 2.9-4.5 10409/2.1=89, 9175=60...(22) QB ALA 21 - QG2 VAL 126 far 0 100 0 - 9.1-22.5 Violated in 2 structures by 0.04 A. Peak 11617 from cnoeabs.peaks (1.36, 2.10, 31.38 ppm; 6.03 A): 3 out of 9 assignments used, quality = 0.99: QB ALA 46 + HB VAL 126 OK 89 89 100 100 2.2-6.4 10409/2.1=95...(15) HB2 LEU 96 + HB VAL 126 OK 78 78 100 100 1.9-6.3 ~11689=77, ~11807=56...(23) HB3 LEU 100 + HB VAL 126 OK 40 81 75 66 4.8-9.3 ~11678=24, ~10410=16...(10) HG3 LYS 95 - HB VAL 126 far 3 65 5 - 6.6-13.8 QB ALA 29 - HB VAL 126 far 0 78 0 - 7.5-14.9 HB2 LEU 42 - HB VAL 126 far 0 83 0 - 7.7-12.2 HG2 LYS 95 - HB VAL 126 far 0 60 0 - 7.8-13.4 QB ALA 110 - HB VAL 126 far 0 73 0 - 9.5-20.2 QB ALA 108 - HB VAL 126 far 0 68 0 - 9.5-17.3 Violated in 0 structures by 0.00 A. Peak 11618 from cnoeabs.peaks (1.99, 0.96, 22.68 ppm; 3.85 A): 1 out of 6 assignments used, quality = 0.90: HB ILE 129 + QG1 VAL 126 OK 90 96 95 99 3.4-5.5 4007/3.2=46...(30) HB3 LEU 53 - QG1 VAL 126 poor 14 100 25 56 4.4-9.2 1660=12, 1653/10394=10...(16) HB ILE 37 - QG1 VAL 126 far 0 76 0 - 7.1-14.2 HB2 GLU 91 - QG1 VAL 126 far 0 100 0 - 9.6-12.3 HB2 GLN 27 - QG1 VAL 126 far 0 68 0 - 9.7-18.7 HB3 PRO 117 - QG1 VAL 126 far 0 87 0 - 10.0-13.1 Violated in 19 structures by 1.02 A. Peak 11619 from cnoeabs.peaks (0.65, 0.96, 23.84 ppm; 3.88 A): 1 out of 4 assignments used, quality = 0.96: QD1 ILE 129 + QG2 VAL 126 OK 96 96 100 100 2.7-4.3 11639/3.2=55, 10489=47...(35) QD2 LEU 62 - QG2 VAL 126 poor 14 76 50 38 4.0-6.5 10410/2.1=15...(7) QD2 LEU 100 - QG2 VAL 126 poor 12 68 35 49 4.7-6.9 2.1/11678=21...(11) QD1 LEU 42 - QG2 VAL 126 poor 11 85 35 36 4.4-8.9 9111/9527=18...(7) Violated in 8 structures by 0.13 A. Peak 11620 from cnoeabs.peaks (2.21, 0.96, 22.68 ppm; 4.38 A): 3 out of 12 assignments used, quality = 0.95: HB3 LEU 96 + QG1 VAL 126 OK 77 78 100 99 1.7-5.3 ~11689=44, ~11807=27...(36) HB3 GLN 127 + QG1 VAL 126 OK 61 96 65 99 3.1-6.8 3.0/10394=79...(16) HB3 GLU 128 + QG1 VAL 126 OK 38 97 45 88 5.3-6.9 7814/4.3=25...(14) HG2 GLN 68 - QG1 VAL 126 far 9 89 10 - 4.8-11.2 HB2 GLN 68 - QG1 VAL 126 far 0 100 0 - 6.3-9.1 HB3 GLU 97 - QG1 VAL 126 far 0 100 0 - 6.7-9.9 HB3 GLN 104 - QG1 VAL 126 far 0 99 0 - 7.6-12.9 HB2 GLN 104 - QG1 VAL 126 far 0 71 0 - 7.6-11.6 HB VAL 133 - QG1 VAL 126 far 0 73 0 - 7.7-11.0 HB2 GLN 101 - QG1 VAL 126 far 0 99 0 - 7.8-11.0 HG2 GLU 91 - QG1 VAL 126 far 0 95 0 - 8.5-12.9 HB3 GLU 102 - QG1 VAL 126 far 0 92 0 - 9.5-12.6 Violated in 1 structures by 0.01 A. Peak 11621 from cnoeabs.peaks (2.49, 0.96, 22.68 ppm; 5.58 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLN 127 + QG1 VAL 126 OK 100 100 100 100 2.4-6.4 3.8/10394=91...(12) HG3 GLN 104 - QG1 VAL 126 far 0 95 0 - 7.7-13.5 HG3 GLU 44 - QG1 VAL 126 far 0 73 0 - 8.2-13.7 HG2 GLU 55 - QG1 VAL 126 far 0 83 0 - 9.5-14.7 Violated in 6 structures by 0.16 A. Peak 11622 from cnoeabs.peaks (0.97, 2.08, 28.41 ppm; 4.96 A): 2 out of 12 assignments used, quality = 0.76: QG1 VAL 105 + HB2 GLU 102 OK 61 87 70 100 4.1-8.0 2.1/11456=79, ~11508=60...(23) QG1 VAL 57 + HB2 GLN 61 OK 39 39 100 100 3.3-5.2 ~9378=74, 10937/3.0=67...(27) QD2 LEU 53 - HB2 GLN 61 poor 16 61 35 77 4.5-12.3 9256/3.0=68...(4) QG1 VAL 126 - HB2 GLU 128 far 14 90 15 - 5.6-8.0 QD2 LEU 53 - HB2 GLU 128 far 5 99 5 - 6.0-12.9 QG2 VAL 126 - HB2 GLU 128 far 5 98 5 - 6.3-7.9 QG2 VAL 126 - HB3 GLU 44 far 0 95 0 - 9.0-11.6 QG1 VAL 112 - HB2 GLN 61 far 0 62 0 - 9.1-16.7 QG1 VAL 126 - HB3 GLU 44 far 0 86 0 - 9.2-12.8 QG2 VAL 126 - HB2 GLN 61 far 0 59 0 - 9.3-12.5 QG1 VAL 126 - HB2 GLN 61 far 0 51 0 - 9.6-12.1 QG1 VAL 112 - HB2 GLU 102 far 0 94 0 - 9.8-16.2 Violated in 2 structures by 0.01 A. Peak 11623 from cnoeabs.peaks (0.83, 2.08, 28.41 ppm; 4.85 A): 3 out of 23 assignments used, quality = 0.77: QG2 ILE 129 + HB2 GLU 128 OK 56 93 60 100 5.3-6.8 9946/10444=70...(21) QG2 VAL 57 + HB2 GLN 61 OK 32 34 95 100 4.4-6.4 ~9377=48, ~10937=45...(29) QG2 ILE 80 + HB3 GLN 82 OK 23 35 70 92 3.9-8.8 9715/2.9=35...(11) QG2 ILE 32 - HB3 GLU 44 poor 13 81 30 55 4.2-13.5 ~10849=33, 3.2/10768=20...(4) QD1 LEU 98 - HB2 GLU 102 poor 9 58 50 31 3.9-8.3 ~11625=10, 10056/4093=8...(6) HG13 ILE 80 - HB3 GLN 82 far 5 47 10 - 6.0-8.9 QD2 LEU 22 - HB2 GLN 61 far 3 61 5 - 4.3-24.5 QG2 ILE 32 - HB2 GLN 61 far 2 47 5 - 5.8-16.6 QD1 LEU 70 - HB2 GLU 102 far 0 80 0 - 6.4-10.6 QG1 VAL 133 - HB2 GLU 128 far 0 100 0 - 6.7-8.0 QD2 LEU 70 - HB2 GLU 102 far 0 72 0 - 7.0-11.0 QD1 LEU 122 - HB2 GLN 61 far 0 31 0 - 7.0-11.7 QG1 VAL 133 - HB3 GLN 82 far 0 53 0 - 7.6-10.9 QD1 LEU 122 - HB2 GLU 128 far 0 60 0 - 7.7-11.3 QG1 VAL 133 - HB3 GLU 44 far 0 98 0 - 8.0-11.1 QD2 LEU 70 - HB2 GLU 128 far 0 81 0 - 8.2-12.7 QD1 LEU 122 - HB2 GLU 102 far 0 53 0 - 8.8-10.8 QG2 ILE 80 - HB2 GLU 128 far 0 78 0 - 8.8-12.6 QD2 LEU 22 - HB2 GLU 102 far 0 93 0 - 9.0-34.5 QD1 LEU 70 - HB2 GLU 128 far 0 89 0 - 9.0-12.8 QG2 ILE 129 - HB3 GLN 82 far 0 45 0 - 9.3-12.1 QD1 LEU 98 - HB2 GLU 128 far 0 65 0 - 9.6-13.9 QG2 ILE 129 - HB3 GLU 44 far 0 90 0 - 9.7-11.7 Violated in 4 structures by 0.11 A. Peak 11624 from cnoeabs.peaks (0.99, 2.22, 28.41 ppm; 5.85 A): 3 out of 12 assignments used, quality = 0.98: QD1 LEU 69 + HB2 GLN 68 OK 80 80 100 100 4.5-7.2 4.3/6921=38, ~11048=36...(24) QG2 VAL 118 + HB3 GLU 102 OK 80 80 100 99 4.0-6.9 11545=83, 10065/3.8=52...(15) QG2 VAL 105 + HB3 GLU 102 OK 62 88 70 100 3.6-8.9 11508/3.0=99...(24) QD1 LEU 69 - HB3 GLU 128 far 14 92 15 - 7.2-10.1 QD2 LEU 53 - HB3 GLU 128 far 10 65 15 - 5.2-13.0 QG2 VAL 105 - HB3 GLU 97 far 3 70 5 - 7.2-11.1 QD1 LEU 69 - HB3 GLU 97 far 3 64 5 - 6.1-12.2 QG2 VAL 118 - HB3 GLU 97 far 3 62 5 - 7.3-8.8 QD2 LEU 53 - HB2 GLN 68 far 3 55 5 - 7.2-16.1 QG2 VAL 105 - HB2 GLN 68 far 0 87 0 - 8.4-13.7 QD2 LEU 53 - HB3 GLU 102 far 0 56 0 - 9.1-17.0 QD2 LEU 53 - HB3 GLU 97 far 0 42 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 11625 from cnoeabs.peaks (0.87, 2.22, 28.41 ppm; 4.47 A): 6 out of 25 assignments used, quality = 0.97: QD2 LEU 98 + HB3 GLU 97 OK 61 74 100 82 2.5-5.4 3192/4.7=51, 4.0/3415=15...(12) QD2 LEU 70 + HB3 GLU 97 OK 59 62 95 100 2.3-6.0 9486/2.9=70...(39) QD2 LEU 98 + HB3 GLU 102 OK 42 93 75 61 4.7-7.6 10067/3.8=25...(13) QD2 LEU 69 + HB2 GLN 68 OK 40 91 45 96 4.0-7.3 6930/4.4=29...(23) QG2 ILE 32 + HB2 GLN 68 OK 35 75 55 85 1.9-8.6 ~11015=26, ~11018=25...(13) QD1 LEU 98 + HB3 GLU 97 OK 25 70 50 70 5.1-6.7 3184/4.7=42...(10) QG1 VAL 118 - HB3 GLU 102 poor 20 56 35 - 5.3-7.3 QD1 LEU 98 - HB3 GLU 102 poor 15 88 50 34 3.9-7.8 10056/4101=8...(9) QD2 LEU 70 - HB2 GLN 68 far 4 78 5 - 5.5-8.4 QG2 VAL 20 - HB3 GLU 102 far 4 75 5 - 5.4-33.3 QG2 VAL 20 - HB2 GLN 68 far 0 73 0 - 6.6-20.4 QD2 LEU 70 - HB3 GLU 102 far 0 80 0 - 6.6-10.5 QD2 LEU 123 - HB3 GLU 128 far 0 96 0 - 6.7-10.0 QG1 VAL 118 - HB3 GLU 97 far 0 42 0 - 6.7-8.1 QD2 LEU 69 - HB3 GLU 128 far 0 100 0 - 7.1-9.9 QD2 LEU 123 - HB2 GLN 68 far 0 84 0 - 7.4-11.1 QD2 LEU 69 - HB3 GLU 97 far 0 75 0 - 7.8-11.7 QD2 LEU 70 - HB3 GLU 128 far 0 90 0 - 7.8-11.4 QD2 LEU 98 - HB3 GLU 128 far 0 100 0 - 8.7-12.8 QG2 VAL 20 - HB3 GLU 97 far 0 57 0 - 9.0-29.5 QG2 ILE 32 - HB3 GLU 97 far 0 59 0 - 9.1-17.3 QD2 LEU 123 - HB3 GLU 97 far 0 68 0 - 9.1-12.2 QG1 VAL 118 - HB2 GLN 68 far 0 55 0 - 9.2-14.4 QD1 LEU 22 - HB2 GLN 68 far 0 66 0 - 9.3-22.9 QG1 VAL 118 - HB3 GLU 128 far 0 65 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 11626 from cnoeabs.peaks (0.78, 2.22, 28.41 ppm; 4.81 A): 4 out of 32 assignments used, quality = 0.99: QD1 ILE 32 + HB2 GLN 68 OK 83 90 95 97 1.8-9.5 9009/3.0=42, ~11015=38...(19) QD1 LEU 103 + HB3 GLU 102 OK 73 93 80 98 5.1-6.9 7476/7469=66...(22) QD1 LEU 96 + HB3 GLU 97 OK 69 69 100 100 3.4-6.1 11451/3.0=74, ~11809=50...(41) QD2 LEU 49 + HB2 GLN 68 OK 33 82 55 73 4.6-8.0 11056/4.4=31...(13) QD2 LEU 122 - HB3 GLU 97 poor 11 74 30 50 5.9-9.5 11398/7417=13, ~3115=10...(11) QG1 VAL 63 - HB2 GLN 68 poor 11 92 30 39 6.1-6.9 10969/10448=8...(9) QD1 LEU 53 - HB3 GLU 128 far 10 97 10 - 5.9-10.9 QD1 ILE 37 - HB2 GLN 68 poor 7 91 25 33 3.5-10.2 9025/9550=13, 9009/3.0=8...(6) QD1 LEU 122 - HB3 GLU 97 far 7 48 15 - 5.4-9.6 QD1 LEU 122 - HB2 GLN 68 far 0 62 0 - 6.4-10.6 QD1 LEU 53 - HB2 GLN 68 far 0 86 0 - 6.6-14.7 QD1 LEU 96 - HB3 GLU 128 far 0 97 0 - 6.6-9.7 QD2 LEU 122 - HB3 GLU 102 far 0 93 0 - 6.8-10.2 QD1 ILE 32 - HB3 GLU 97 far 0 73 0 - 6.8-15.2 QD2 LEU 122 - HB3 GLU 128 far 0 100 0 - 6.9-10.6 QD1 LEU 103 - HB3 GLU 97 far 0 75 0 - 7.2-11.9 QD2 LEU 122 - HB2 GLN 68 far 0 91 0 - 7.3-9.4 QD1 LEU 122 - HB3 GLU 128 far 0 73 0 - 7.4-10.6 QG1 VAL 63 - HB3 GLU 97 far 0 75 0 - 7.5-10.4 QD1 LEU 96 - HB3 GLU 102 far 0 87 0 - 7.5-11.9 QG1 VAL 63 - HB3 GLU 102 far 0 93 0 - 7.5-9.6 QD2 LEU 119 - HB3 GLU 102 far 0 77 0 - 7.6-12.5 QD2 LEU 49 - HB3 GLU 128 far 0 93 0 - 7.7-10.3 QD1 LEU 96 - HB2 GLN 68 far 0 86 0 - 7.8-9.3 QD2 LEU 43 - HB3 GLU 128 far 0 63 0 - 7.8-10.2 QD1 LEU 122 - HB3 GLU 102 far 0 64 0 - 7.8-10.1 QD2 LEU 49 - HB3 GLU 97 far 0 65 0 - 9.1-12.3 QD1 LEU 103 - HB2 GLN 68 far 0 92 0 - 9.2-13.4 QD1 ILE 37 - HB3 GLU 97 far 0 74 0 - 9.4-14.4 QD1 LEU 53 - HB3 GLU 97 far 0 69 0 - 9.7-15.4 QD2 LEU 119 - HB2 GLN 68 far 0 75 0 - 9.8-16.9 QD1 LEU 53 - HB3 GLU 102 far 0 87 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 11627 from cnoeabs.peaks (1.13, 2.42, 34.22 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.87: QG1 VAL 132 + HG3 GLU 128 OK 64 100 70 91 2.6-7.9 11658/10447=28, 11741=25...(16) QG2 VAL 132 + HG3 GLU 128 OK 63 97 70 93 3.0-7.8 11657/1.8=27...(16) Violated in 7 structures by 0.44 A. Peak 11628 from cnoeabs.peaks (4.32, 2.42, 34.22 ppm; 4.87 A): 0 out of 1 assignment used, quality = 0.00: HA ASP 131 - HG3 GLU 128 far 5 92 5 - 6.2-8.6 Violated in 20 structures by 2.50 A. Peak 11629 from cnoeabs.peaks (4.34, 2.38, 34.44 ppm; 5.19 A): 1 out of 3 assignments used, quality = 0.69: HA CYS 125 + HG2 GLU 128 OK 69 69 100 100 2.7-5.9 11698/1.8=82...(21) HA ASN 59 - HG2 GLN 104 far 15 100 15 - 6.2-11.0 HA LYS 24 - HG2 GLN 104 far 0 100 0 - 9.8-29.4 Violated in 5 structures by 0.09 A. Peak 11630 from cnoeabs.peaks (8.47, 2.42, 34.22 ppm; 6.13 A): 1 out of 1 assignment used, quality = 1.00: H VAL 132 + HG3 GLU 128 OK 100 100 100 100 4.5-7.6 11702/1.8=89...(9) Violated in 5 structures by 0.32 A. Peak 11631 from cnoeabs.peaks (3.43, 0.82, 16.92 ppm; 3.94 A): 4 out of 8 assignments used, quality = 1.00: HA VAL 126 + QG2 ILE 129 OK 100 100 100 100 3.7-4.8 10402/4163=63...(32) HA VAL 77 + QG2 ILE 129 OK 68 92 90 82 4.4-6.0 9666/10457=26...(19) HA ILE 129 + QG2 ILE 129 OK 60 60 100 100 2.2-2.6 3.2=100 HA VAL 77 + QG2 ILE 80 OK 58 58 100 100 1.6-5.1 9725/3.1=68, 9728/3.2=36...(46) HA LYS 39 - QG2 ILE 80 far 0 35 0 - 5.6-11.2 HA ILE 129 - QG2 ILE 80 far 0 35 0 - 5.7-9.0 HA LYS 39 - QG2 ILE 129 far 0 60 0 - 5.7-8.1 HA VAL 126 - QG2 ILE 80 far 0 69 0 - 8.2-13.2 Violated in 0 structures by 0.00 A. Peak 11632 from cnoeabs.peaks (8.14, 0.82, 16.92 ppm; 4.72 A): 4 out of 8 assignments used, quality = 1.00: H VAL 133 + QG2 ILE 129 OK 99 99 100 100 3.1-4.3 11894/10486=59, 7934=40...(28) H VAL 133 + QG2 ILE 80 OK 42 68 65 96 4.6-8.0 ~10590=34, ~10590=32...(25) H PHE 87 + QG2 ILE 80 OK 37 45 85 96 4.4-6.8 4.3/9753=57...(22) H GLU 91 + QG2 ILE 129 OK 27 93 35 82 5.6-7.1 9902/9946=54...(11) H GLU 91 - QG2 ILE 80 far 0 60 0 - 6.5-8.5 H PHE 87 - QG2 ILE 129 far 0 76 0 - 7.2-8.8 H ASP 71 - QG2 ILE 129 far 0 100 0 - 7.2-9.0 H ASP 71 - QG2 ILE 80 far 0 69 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 11633 from cnoeabs.peaks (7.09, 0.64, 14.39 ppm; 6.69 A): 1 out of 1 assignment used, quality = 0.63: QD PHE 89 + QD1 ILE 129 OK 63 63 100 100 3.7-5.3 2.2/10456=100...(19) Violated in 0 structures by 0.00 A. Peak 11634 from cnoeabs.peaks (7.08, 0.82, 16.92 ppm; 4.53 A): 2 out of 5 assignments used, quality = 0.99: QD PHE 89 + QG2 ILE 129 OK 98 98 100 100 2.3-3.0 2.2/10457=72...(39) QD PHE 89 + QG2 ILE 80 OK 65 65 100 100 1.9-5.3 9747/3.1=62, ~9749=42...(33) HE ARG 135 - QG2 ILE 80 far 2 45 5 - 5.5-9.9 HE ARG 135 - QG2 ILE 129 far 0 76 0 - 7.2-10.2 HZ PHE 87 - QG2 ILE 80 far 0 47 0 - 8.2-12.5 Violated in 0 structures by 0.00 A. Peak 11635 from cnoeabs.peaks (1.63, 0.64, 14.39 ppm; 4.69 A): 3 out of 12 assignments used, quality = 0.69: HG LEU 70 + QD1 ILE 129 OK 42 76 60 91 4.7-7.3 11407/10487=66...(10) QB ALA 88 + QD1 ILE 129 OK 30 68 50 89 5.5-6.7 9862/4163=42...(13) HD3 LYS 95 + QD1 ILE 129 OK 23 73 35 88 5.2-8.0 9828/10487=39...(14) HD2 LYS 95 - QD1 ILE 129 far 13 85 15 - 4.4-9.2 HG LEU 122 - QD1 ILE 129 far 0 57 0 - 6.5-8.6 HB2 LEU 122 - QD1 ILE 129 far 0 68 0 - 6.6-8.3 HB2 LEU 123 - QD1 ILE 129 far 0 92 0 - 7.8-9.0 HG LEU 43 - QD1 ILE 129 far 0 99 0 - 8.6-10.5 HB2 LEU 98 - QD1 ILE 129 far 0 89 0 - 9.0-11.1 HD2 LYS 86 - QD1 ILE 129 far 0 73 0 - 9.8-11.9 HD3 LYS 24 - QD1 ILE 129 far 0 71 0 - 10.0-25.5 HD2 LYS 24 - QD1 ILE 129 far 0 68 0 - 10.0-25.0 Violated in 16 structures by 0.43 A. Peak 11636 from cnoeabs.peaks (1.34, 0.64, 14.39 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + QD1 ILE 129 OK 100 100 100 100 4.2-5.8 11245/4163=79...(14) Violated in 16 structures by 0.65 A. Peak 11637 from cnoeabs.peaks (1.52, 0.64, 14.39 ppm; 4.45 A): 1 out of 4 assignments used, quality = 0.79: HG LEU 69 + QD1 ILE 129 OK 79 99 80 99 3.9-6.6 2.1/11038=80...(16) HB3 LEU 42 - QD1 ILE 129 far 0 76 0 - 6.5-9.5 HB2 LEU 49 - QD1 ILE 129 far 0 73 0 - 8.0-10.3 HB2 LEU 53 - QD1 ILE 129 far 0 100 0 - 9.4-12.0 Violated in 19 structures by 0.86 A. Peak 11638 from cnoeabs.peaks (2.11, 0.64, 14.39 ppm; 4.85 A): 3 out of 5 assignments used, quality = 1.00: HB VAL 126 + QD1 ILE 129 OK 100 100 100 100 3.5-4.3 3.0/11639=85...(35) HB2 GLU 128 + QD1 ILE 129 OK 60 60 100 99 3.0-6.0 1.8/10013=62...(17) HG3 GLU 91 + QD1 ILE 129 OK 52 100 70 75 5.1-8.6 2889/10455=35...(8) HB2 GLU 97 - QD1 ILE 129 poor 19 63 30 - 6.1-7.1 HG3 GLN 134 - QD1 ILE 129 far 0 63 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 11639 from cnoeabs.peaks (3.42, 0.64, 14.39 ppm; 3.67 A): 1 out of 4 assignments used, quality = 0.93: HA VAL 126 + QD1 ILE 129 OK 93 93 100 100 1.6-2.4 10402=78, 3.2/11692=44...(28) HA VAL 77 - QD1 ILE 129 far 0 63 0 - 6.6-8.9 HA LYS 39 - QD1 ILE 129 far 0 90 0 - 8.7-10.7 HB3 HIS 67 - QD1 ILE 129 far 0 93 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 11640 from cnoeabs.peaks (8.28, 3.77, 62.61 ppm; 4.88 A): 2 out of 6 assignments used, quality = 0.98: H ASP 131 + HB3 SER 130 OK 95 95 100 100 2.9-4.0 4.6=100 H LEU 43 + HB3 SER 130 OK 59 100 60 99 4.5-7.4 6510/10509=65...(21) H LEU 49 - HB3 SER 130 far 0 85 0 - 6.5-9.9 H VAL 126 - HB3 SER 130 far 0 99 0 - 7.9-9.0 H GLU 40 - HB3 SER 130 far 0 100 0 - 8.5-12.3 H LEU 69 - HB3 SER 130 far 0 92 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 11641 from cnoeabs.peaks (1.34, 3.82, 62.61 ppm; 5.22 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 46 + HB2 SER 130 OK 100 100 100 100 1.7-3.2 10508/1.8=97...(16) QB ALA 46 + HB2 SER 50 OK 62 73 100 86 3.7-5.9 9213/3.9=50...(10) HG2 LYS 19 - HB2 SER 50 far 0 46 0 - 9.4-40.0 Violated in 0 structures by 0.00 A. Peak 11642 from cnoeabs.peaks (0.76, 3.82, 62.61 ppm; 4.26 A): 1 out of 13 assignments used, quality = 1.00: QD2 LEU 43 + HB2 SER 130 OK 100 100 100 100 3.1-4.8 10509/1.8=84...(25) QD2 LEU 43 - HB2 SER 50 far 0 72 0 - 5.8-10.1 QD2 LEU 96 - HB2 SER 130 far 0 99 0 - 5.9-10.0 HG12 ILE 129 - HB2 SER 130 far 0 99 0 - 6.0-7.2 QD1 LEU 96 - HB2 SER 130 far 0 92 0 - 6.1-9.2 QD1 ILE 37 - HB2 SER 130 far 0 78 0 - 6.9-12.0 QG1 VAL 93 - HB2 SER 130 far 0 99 0 - 7.6-10.0 QD1 ILE 32 - HB2 SER 130 far 0 83 0 - 7.7-14.7 QD2 LEU 96 - HB2 SER 50 far 0 69 0 - 7.9-12.7 QD1 LEU 96 - HB2 SER 50 far 0 61 0 - 8.8-11.3 HG12 ILE 129 - HB2 SER 50 far 0 70 0 - 8.9-13.7 QD1 ILE 32 - HB2 SER 50 far 0 53 0 - 9.0-16.6 QD1 ILE 37 - HB2 SER 50 far 0 50 0 - 9.6-16.2 Violated in 6 structures by 0.06 A. Peak 11643 from cnoeabs.peaks (0.97, 3.77, 62.61 ppm; 6.36 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 126 + HB3 SER 130 OK 99 100 100 99 4.7-7.2 11680/10508=92...(13) QG1 VAL 126 + HB3 SER 130 OK 96 97 100 100 5.1-7.8 10409/10508=91...(13) QD2 LEU 53 - HB3 SER 130 far 10 100 10 - 6.4-11.6 Violated in 0 structures by 0.00 A. Peak 11644 from cnoeabs.peaks (8.15, 2.77, 40.87 ppm; 5.29 A): 1 out of 5 assignments used, quality = 0.99: H VAL 133 + HB2 ASP 131 OK 99 99 100 100 5.0-6.0 3.3/7914=90...(18) H VAL 133 - HB2 TYR 76 far 0 74 0 - 7.0-11.0 H ASP 71 - HB2 TYR 76 far 0 64 0 - 8.3-9.5 H ILE 32 - HB2 TYR 76 far 0 69 0 - 9.1-19.8 H GLU 91 - HB2 TYR 76 far 0 42 0 - 9.8-14.2 Violated in 14 structures by 0.32 A. Peak 11645 from cnoeabs.peaks (8.15, 2.87, 40.87 ppm; 5.85 A): 1 out of 1 assignment used, quality = 0.97: H VAL 133 + HB3 ASP 131 OK 97 97 100 100 5.0-5.7 3.3/7915=95...(17) Violated in 0 structures by 0.00 A. Peak 11646 from cnoeabs.peaks (8.04, 2.87, 40.87 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.99: H SER 130 + HB3 ASP 131 OK 99 100 100 100 4.3-5.4 7891/7904=87...(13) H CYS 125 - HB3 ASP 131 far 0 100 0 - 9.1-10.8 Violated in 11 structures by 0.11 A. Peak 11648 from cnoeabs.peaks (8.28, 2.28, 31.51 ppm; 5.16 A): 1 out of 6 assignments used, quality = 0.99: H ASP 131 + HB VAL 132 OK 99 99 100 100 5.1-6.0 3.3/7917=92...(16) H GLY 111 - HB3 PRO 113 far 0 43 0 - 7.4-9.4 H ALA 110 - HB3 PRO 113 far 0 47 0 - 8.3-12.3 H LEU 123 - HB3 PRO 113 far 0 59 0 - 8.5-17.1 H SER 99 - HB3 PRO 113 far 0 62 0 - 8.8-20.3 H LEU 43 - HB VAL 132 far 0 97 0 - 9.3-12.8 Violated in 19 structures by 0.57 A. Peak 11650 from cnoeabs.peaks (7.06, 2.28, 31.51 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 89 + HB VAL 132 OK 100 100 100 100 2.2-5.3 10554/11764=51...(28) HE ARG 135 + HB VAL 132 OK 78 98 80 100 3.0-7.6 11868/3.0=72...(20) Violated in 0 structures by 0.00 A. Peak 11651 from cnoeabs.peaks (8.28, 1.13, 22.77 ppm; 4.84 A): 2 out of 9 assignments used, quality = 1.00: H ASP 131 + QG1 VAL 132 OK 99 99 100 100 3.5-5.6 11648/2.1=69...(24) H ASP 131 + QG2 VAL 132 OK 52 52 100 100 3.1-4.4 11648/2.1=69...(27) H VAL 126 - QG2 VAL 132 far 0 45 0 - 7.4-9.1 H LEU 43 - QG2 VAL 132 far 0 48 0 - 7.6-9.6 H VAL 126 - QG1 VAL 132 far 0 93 0 - 7.9-10.8 H LEU 96 - QG2 VAL 132 far 0 53 0 - 8.0-9.4 H LEU 96 - QG1 VAL 132 far 0 100 0 - 8.8-11.2 H LEU 43 - QG1 VAL 132 far 0 97 0 - 9.0-11.2 H GLU 40 - QG2 VAL 132 far 0 53 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 11652 from cnoeabs.peaks (8.02, 1.13, 22.77 ppm; 5.15 A): 4 out of 9 assignments used, quality = 0.98: H ILE 129 + QG1 VAL 132 OK 81 81 100 100 3.9-6.6 ~10477=60, ~4126=54...(20) H SER 130 + QG1 VAL 132 OK 74 96 80 97 4.3-6.8 7910/4.0=61...(17) H SER 130 + QG2 VAL 132 OK 47 47 100 98 3.8-4.8 7910/4.0=61...(20) H ILE 129 + QG2 VAL 132 OK 37 37 100 100 3.6-5.1 ~4126=54, ~4213=54...(21) H CYS 79 - QG2 VAL 132 far 0 38 0 - 7.4-11.7 H TYR 76 - QG2 VAL 132 far 0 38 0 - 7.9-10.6 H CYS 125 - QG2 VAL 132 far 0 38 0 - 8.0-10.0 H CYS 125 - QG1 VAL 132 far 0 83 0 - 8.4-11.5 H CYS 79 - QG1 VAL 132 far 0 83 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 11653 from cnoeabs.peaks (7.43, 1.13, 22.77 ppm; 4.99 A): 0 out of 0 assignments used, quality = 0.00: Peak 11654 from cnoeabs.peaks (6.96, 1.13, 22.77 ppm; 4.69 A): 0 out of 4 assignments used, quality = 0.00: HE21 GLN 82 - QG1 VAL 132 far 3 60 5 - 5.1-12.6 H ILE 80 - QG2 VAL 132 far 0 49 0 - 6.3-10.5 HE21 GLN 82 - QG2 VAL 132 far 0 26 0 - 7.6-13.8 H ILE 80 - QG1 VAL 132 far 0 97 0 - 8.1-10.6 Violated in 20 structures by 2.04 A. Peak 11655 from cnoeabs.peaks (6.48, 1.13, 22.77 ppm; 5.60 A): 2 out of 4 assignments used, quality = 0.75: QE TYR 76 + QG2 VAL 132 OK 50 52 100 95 4.4-6.8 10550/4.4=33...(18) QE TYR 76 + QG1 VAL 132 OK 50 100 55 90 5.7-8.0 9746/11656=36...(13) QD TYR 76 - QG2 VAL 132 poor 19 31 95 63 5.0-7.5 10550/4.4=25...(10) QD TYR 76 - QG1 VAL 132 poor 14 71 20 - 6.6-8.7 Violated in 4 structures by 0.06 A. Peak 11656 from cnoeabs.peaks (0.27, 1.13, 22.77 ppm; 3.54 A): 3 out of 4 assignments used, quality = 0.72: QD1 ILE 80 + QG1 VAL 132 OK 44 100 45 97 3.5-8.1 9722/2.1=46...(39) QD1 ILE 80 + QG2 VAL 132 OK 36 53 70 97 2.8-6.0 9722/2.1=46...(43) QG2 VAL 93 + QG2 VAL 132 OK 23 42 65 83 4.5-7.1 10487/10490=27...(20) QG2 VAL 93 - QG1 VAL 132 far 0 89 0 - 5.4-8.3 Violated in 12 structures by 0.31 A. Peak 11657 from cnoeabs.peaks (2.40, 1.14, 23.15 ppm; 3.65 A): 3 out of 4 assignments used, quality = 0.71: HG3 GLU 128 + QG2 VAL 132 OK 40 65 70 87 3.0-7.8 11697=27, 9949/9947=22...(14) HG2 GLU 128 + QG2 VAL 132 OK 40 78 55 93 3.9-7.2 1.8/11697=39, ~11627=22...(17) HG2 GLU 128 + QG1 VAL 132 OK 21 35 65 89 3.7-6.9 1.8/11627=35, ~11697=23...(15) HG3 GLU 128 - QG1 VAL 132 poor 20 28 70 - 2.6-7.9 Violated in 11 structures by 0.35 A. Peak 11658 from cnoeabs.peaks (1.44, 1.13, 22.77 ppm; 3.85 A): 2 out of 6 assignments used, quality = 0.94: QB ALA 92 + QG1 VAL 132 OK 88 99 90 98 3.7-5.7 9947=42, 9947/2.1=42...(25) QB ALA 92 + QG2 VAL 132 OK 51 52 100 99 3.2-4.5 9947=54, 10491/10490=42...(28) HG2 LYS 86 - QG2 VAL 132 far 0 44 0 - 5.9-9.6 HG2 LYS 86 - QG1 VAL 132 far 0 92 0 - 6.7-9.7 QB ALA 34 - QG2 VAL 132 far 0 42 0 - 7.9-15.8 QB ALA 34 - QG1 VAL 132 far 0 89 0 - 9.8-16.3 Violated in 7 structures by 0.04 A. Peak 11659 from cnoeabs.peaks (1.79, 1.13, 22.77 ppm; 4.38 A): 1 out of 6 assignments used, quality = 0.59: HB3 ARG 135 + QG1 VAL 132 OK 59 65 90 100 4.0-6.2 3.0/11749=60...(39) HB3 ARG 135 - QG2 VAL 132 poor 16 28 55 - 5.1-6.7 HB2 ARG 84 - QG1 VAL 132 poor 15 87 30 59 4.9-9.9 4.7/10545=46...(8) HB2 LYS 86 - QG1 VAL 132 far 0 100 0 - 5.9-9.0 HB2 LYS 86 - QG2 VAL 132 far 0 53 0 - 6.3-8.9 HB2 ARG 84 - QG2 VAL 132 far 0 41 0 - 6.7-9.5 Violated in 16 structures by 0.68 A. Peak 11660 from cnoeabs.peaks (2.83, 1.13, 22.77 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.98: HB3 ASN 85 + QG1 VAL 132 OK 95 100 95 100 2.2-6.5 3.6/10545=65...(27) HB3 ASN 85 + QG2 VAL 132 OK 51 53 95 100 1.9-6.3 9794=50, 1.8/9790=42...(26) HB3 ASP 47 - QG2 VAL 132 far 0 42 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 11661 from cnoeabs.peaks (1.68, 2.28, 31.51 ppm; 5.33 A): 1 out of 4 assignments used, quality = 0.83: QB ALA 88 + HB VAL 132 OK 83 83 100 100 3.2-5.0 9857/3.0=55, ~9860=49...(20) HD3 LYS 86 - HB VAL 132 far 0 78 0 - 7.4-11.5 HD2 LYS 86 - HB VAL 132 far 0 78 0 - 8.3-11.6 HD2 LYS 39 - HB VAL 132 far 0 100 0 - 9.1-15.3 Violated in 0 structures by 0.00 A. Peak 11662 from cnoeabs.peaks (0.84, 2.28, 31.51 ppm; 4.73 A): 4 out of 7 assignments used, quality = 1.00: QG1 VAL 133 + HB VAL 132 OK 100 100 100 100 3.1-4.8 11670=97, 2.1/11764=84...(26) QG2 ILE 129 + HB VAL 132 OK 92 92 100 100 3.5-5.8 3.2/4126=66, ~11737=49...(22) QG2 ILE 80 + HB VAL 132 OK 49 76 70 91 4.4-6.6 3.1/9722=31, ~11738=25...(18) HG13 ILE 80 + HB VAL 132 OK 44 95 50 92 3.9-9.7 2.1/9722=37, ~11738=33...(19) QG2 VAL 57 - HB3 PRO 113 poor 11 43 25 - 3.8-11.6 QD1 LEU 122 - HB3 PRO 113 far 2 35 5 - 5.8-14.8 QD2 LEU 70 - HB3 PRO 113 far 0 54 0 - 9.9-19.0 Violated in 0 structures by 0.00 A. Peak 11663 from cnoeabs.peaks (8.57, 1.14, 23.15 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.91: H ARG 90 + QG2 VAL 132 OK 88 100 90 98 4.7-6.7 7209/10551=39, 9894=35...(18) H ARG 90 + QG1 VAL 132 OK 25 53 50 96 5.1-7.4 9894/2.1=35, 3.6/9873=33...(17) Violated in 17 structures by 0.34 A. Peak 11665 from cnoeabs.peaks (8.28, 0.84, 22.13 ppm; 4.83 A): 2 out of 7 assignments used, quality = 1.00: H ASP 131 + QG1 VAL 133 OK 99 99 100 100 3.6-4.3 7925/4245=61...(28) H LEU 43 + QG1 VAL 133 OK 97 97 100 100 3.5-6.0 4.4/11679=75...(22) H GLU 40 - QG1 VAL 133 far 5 100 5 - 6.2-9.2 H VAL 126 - QG1 VAL 133 far 0 95 0 - 8.2-9.2 H LEU 49 - QG1 VAL 133 far 0 71 0 - 8.9-12.2 H LEU 69 - QG1 VAL 133 far 0 81 0 - 9.2-10.9 H LEU 96 - QG1 VAL 133 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 11666 from cnoeabs.peaks (7.39, 0.84, 22.13 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 89 + QG1 VAL 133 OK 98 98 100 100 1.7-2.7 10552/2.1=98...(27) Violated in 0 structures by 0.00 A. Peak 11667 from cnoeabs.peaks (4.35, 1.04, 23.73 ppm; 5.43 A): 2 out of 6 assignments used, quality = 1.00: HA GLN 134 + QG2 VAL 133 OK 99 99 100 100 2.7-3.3 3.0/7946=91...(25) HA PRO 81 + QG2 VAL 133 OK 72 97 75 99 5.2-9.3 3.6/11757=78...(14) HA ASP 47 - QG2 VAL 133 far 0 100 0 - 6.9-10.5 HA LEU 69 - QG2 VAL 133 far 0 90 0 - 7.7-9.8 HA2 GLY 75 - QG2 VAL 133 far 0 60 0 - 8.4-11.3 HA LYS 24 - QG2 VAL 133 far 0 96 0 - 8.4-27.0 Violated in 0 structures by 0.00 A. Peak 11668 from cnoeabs.peaks (4.33, 0.84, 22.13 ppm; 5.05 A): 2 out of 8 assignments used, quality = 0.95: HA GLN 134 + QG1 VAL 133 OK 83 83 100 100 3.9-5.3 3.0/4250=85...(21) HA ASP 131 + QG1 VAL 133 OK 70 71 100 98 3.9-5.3 3.6/11755=47...(19) HA TYR 76 - QG1 VAL 133 poor 19 81 25 96 5.9-8.4 4.7/10558=65...(14) HA ASP 47 - QG1 VAL 133 far 0 97 0 - 6.7-10.9 HA PRO 81 - QG1 VAL 133 far 0 100 0 - 6.7-9.0 HA LEU 69 - QG1 VAL 133 far 0 100 0 - 7.0-8.9 HA CYS 125 - QG1 VAL 133 far 0 78 0 - 8.5-9.4 HA2 GLY 75 - QG1 VAL 133 far 0 92 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 11669 from cnoeabs.peaks (2.29, 1.04, 23.73 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.48: HB VAL 132 + QG2 VAL 133 OK 48 96 50 100 5.2-6.4 11670/2.1=70...(26) HG2 GLU 40 - QG2 VAL 133 far 8 78 10 - 5.0-9.8 Violated in 20 structures by 1.52 A. Peak 11670 from cnoeabs.peaks (2.29, 0.84, 22.13 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.98: HB VAL 132 + QG1 VAL 133 OK 98 98 100 100 3.1-4.8 11764/2.1=81...(25) HG2 GLU 40 - QG1 VAL 133 far 0 71 0 - 6.9-11.3 Violated in 11 structures by 0.11 A. Peak 11671 from cnoeabs.peaks (1.76, 1.04, 23.73 ppm; 4.57 A): 2 out of 6 assignments used, quality = 0.88: HB2 LYS 39 + QG2 VAL 133 OK 85 100 85 100 2.2-7.5 2.9/10567=56, ~10578=44...(19) HB ILE 80 + QG2 VAL 133 OK 22 73 30 100 4.7-8.7 3.2/10588=75...(37) HG13 ILE 129 - QG2 VAL 133 far 0 89 0 - 6.6-8.4 HG3 ARG 90 - QG2 VAL 133 far 0 60 0 - 8.5-12.2 HB2 ARG 23 - QG2 VAL 133 far 0 99 0 - 9.4-27.8 HB2 LEU 48 - QG2 VAL 133 far 0 83 0 - 9.8-13.2 Violated in 10 structures by 0.31 A. Peak 11672 from cnoeabs.peaks (1.74, 0.84, 22.13 ppm; 4.08 A): 3 out of 7 assignments used, quality = 0.92: HB2 LEU 43 + QG1 VAL 133 OK 69 92 75 100 3.6-7.1 3.2/11679=80...(36) HG13 ILE 129 + QG1 VAL 133 OK 66 100 70 94 4.5-6.4 4155=34, 2.9/4131=26...(23) HB ILE 80 + QG1 VAL 133 OK 25 100 25 99 4.4-7.6 3.2/10586=51, ~10588=35...(34) HB2 LYS 39 - QG1 VAL 133 far 13 85 15 - 4.8-8.8 HD3 LYS 39 - QG1 VAL 133 far 9 60 15 - 4.7-9.2 HG3 ARG 90 - QG1 VAL 133 far 0 97 0 - 7.1-10.8 HB3 LEU 70 - QG1 VAL 133 far 0 63 0 - 9.6-11.4 Violated in 12 structures by 0.17 A. Peak 11673 from cnoeabs.peaks (1.51, 0.84, 22.13 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.65: HG LEU 42 + QG1 VAL 133 OK 65 65 100 100 2.8-5.2 2.1/10585=93, ~10587=68...(28) HG LEU 69 - QG1 VAL 133 far 15 100 15 - 5.7-8.9 HB2 LEU 49 - QG1 VAL 133 far 0 90 0 - 9.8-12.7 Violated in 6 structures by 0.08 A. Peak 11674 from cnoeabs.peaks (0.76, 2.19, 31.57 ppm; 4.23 A): 1 out of 7 assignments used, quality = 0.84: QD2 LEU 43 + HB VAL 133 OK 84 99 85 100 1.9-6.5 9128=98, 11777/2.1=91...(27) QD1 ILE 37 - HB VAL 133 far 4 89 5 - 5.7-11.7 HG12 ILE 129 - HB VAL 133 far 0 96 0 - 6.0-9.1 QG1 VAL 93 - HB VAL 133 far 0 96 0 - 7.7-10.1 QD1 LEU 96 - HB VAL 133 far 0 97 0 - 7.8-12.1 QD2 LEU 96 - HB VAL 133 far 0 95 0 - 7.9-11.7 QD1 ILE 32 - HB VAL 133 far 0 92 0 - 9.7-18.1 Violated in 3 structures by 0.32 A. Peak 11676 from cnoeabs.peaks (0.64, 1.04, 23.73 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 42 + QG2 VAL 133 OK 98 98 100 100 2.8-4.9 2.1/10587=74...(39) QD1 ILE 129 - QG2 VAL 133 far 0 100 0 - 6.1-7.6 Violated in 14 structures by 0.50 A. Peak 11677 from cnoeabs.peaks (0.70, 0.84, 22.13 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.70: QD1 LEU 43 + QG1 VAL 133 OK 70 100 70 100 3.3-5.5 2.1/10572=60...(30) Violated in 18 structures by 0.81 A. Peak 11678 from cnoeabs.peaks (0.77, 1.04, 23.73 ppm; 3.27 A): 1 out of 9 assignments used, quality = 0.92: QD2 LEU 43 + QG2 VAL 133 OK 92 92 100 100 1.6-3.8 11090=80, 11679/2.1=72...(40) QD1 ILE 37 - QG2 VAL 133 far 5 98 5 - 4.3-9.4 HG12 ILE 129 - QG2 VAL 133 far 0 83 0 - 6.9-8.7 QD2 LEU 96 - QG2 VAL 133 far 0 81 0 - 7.2-10.4 QG1 VAL 93 - QG2 VAL 133 far 0 83 0 - 7.2-9.1 QD2 LEU 49 - QG2 VAL 133 far 0 65 0 - 7.4-9.4 QD1 ILE 32 - QG2 VAL 133 far 0 99 0 - 7.4-15.1 QD1 LEU 96 - QG2 VAL 133 far 0 100 0 - 7.6-10.1 QD2 LEU 122 - QG2 VAL 133 far 0 89 0 - 9.4-13.1 Violated in 3 structures by 0.06 A. Peak 11679 from cnoeabs.peaks (0.78, 0.84, 22.13 ppm; 2.77 A): 1 out of 8 assignments used, quality = 0.62: QD2 LEU 43 + QG1 VAL 133 OK 62 71 90 97 1.7-4.9 11678/2.1=44...(29) QD1 ILE 37 - QG1 VAL 133 far 0 100 0 - 4.9-9.0 QD1 LEU 96 - QG1 VAL 133 far 0 99 0 - 6.1-8.6 QD2 LEU 49 - QG1 VAL 133 far 0 89 0 - 7.0-8.8 QD1 ILE 32 - QG1 VAL 133 far 0 100 0 - 8.1-14.4 QD1 LEU 122 - QG1 VAL 133 far 0 65 0 - 8.7-11.3 QD2 LEU 122 - QG1 VAL 133 far 0 99 0 - 8.8-11.8 QD1 LEU 53 - QG1 VAL 133 far 0 93 0 - 8.9-11.8 Violated in 6 structures by 0.34 A. Peak 11680 from cnoeabs.peaks (1.14, 0.84, 22.13 ppm; 3.33 A): 3 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + QG1 VAL 133 OK 99 100 100 99 1.9-3.8 2.1/11670=41...(42) QG1 VAL 132 + QG1 VAL 133 OK 78 99 80 99 3.7-5.0 2.1/11670=41...(40) HG2 LYS 39 + QG1 VAL 133 OK 33 100 35 94 3.9-6.9 4.0/10577=32...(20) HG3 LYS 39 - QG1 VAL 133 far 0 87 0 - 5.0-7.8 Violated in 3 structures by 0.01 A. Peak 11681 from cnoeabs.peaks (6.90, 2.02, 30.54 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.92: HE21 GLN 134 + HB2 GLN 134 OK 92 92 100 100 2.1-4.5 4.3=100 Violated in 0 structures by 0.00 A. Peak 11682 from cnoeabs.peaks (0.75, 4.35, 56.69 ppm; 4.82 A): 1 out of 13 assignments used, quality = 1.00: QD2 LEU 43 + HA GLN 134 OK 100 100 100 100 2.1-5.1 2.1/11899=77...(25) QD2 LEU 43 - HA ASP 47 poor 17 91 30 62 4.5-7.9 9176/10901=38, 11087=15...(6) QD1 ILE 32 - HA LYS 24 far 4 28 15 - 2.5-12.8 QD1 ILE 32 - HA ASP 47 far 0 59 0 - 7.7-15.3 QD1 ILE 37 - HA LYS 24 far 0 25 0 - 7.7-21.6 QD2 LEU 96 - HA ASP 47 far 0 91 0 - 8.4-13.8 QD1 ILE 37 - HA GLN 134 far 0 65 0 - 8.7-13.6 QD1 ILE 37 - HA ASP 47 far 0 54 0 - 8.7-14.4 QD1 LEU 96 - HA LYS 24 far 0 34 0 - 9.0-22.3 QD1 LEU 96 - HA ASP 47 far 0 70 0 - 9.0-13.0 QG1 VAL 93 - HA LYS 24 far 0 48 0 - 9.2-24.1 QD2 LEU 43 - HA LYS 24 far 0 48 0 - 9.6-25.5 HG12 ILE 129 - HA ASP 47 far 0 91 0 - 9.8-13.8 Violated in 3 structures by 0.03 A. Peak 11683 from cnoeabs.peaks (1.72, 4.35, 56.69 ppm; 4.47 A): 4 out of 17 assignments used, quality = 0.91: HB2 LEU 43 + HA GLN 134 OK 74 100 75 99 4.5-8.1 3.2/11899=56...(21) HD3 LYS 39 + HA GLN 134 OK 37 97 50 76 2.0-10.1 ~10606=30, 2.9/11738=21...(10) HB2 LYS 24 + HA LYS 24 OK 29 29 100 100 2.3-3.0 3.0=100 HG2 ARG 135 + HA GLN 134 OK 22 95 25 93 5.3-7.1 7983/3.6=69, 1.8/4259=36...(11) HB2 LYS 26 - HA ASP 47 far 3 54 5 - 3.8-24.7 HB2 LYS 26 - HA LYS 24 far 3 25 10 - 5.7-9.7 HG LEU 98 - HA LYS 24 far 2 41 5 - 3.7-33.4 HB2 LYS 19 - HA LYS 24 far 1 25 5 - 6.0-15.1 HB2 LEU 43 - HA ASP 47 far 0 90 0 - 6.0-7.6 HB2 LYS 19 - HA ASP 47 far 0 54 0 - 6.0-37.8 HB2 LYS 31 - HA LYS 24 far 0 34 0 - 6.1-17.4 HG LEU 48 - HA ASP 47 far 0 86 0 - 6.7-7.5 HG LEU 48 - HA LYS 24 far 0 45 0 - 7.6-27.5 HB2 LEU 43 - HA LYS 24 far 0 48 0 - 7.9-31.9 HB ILE 80 - HA GLN 134 far 0 93 0 - 8.2-12.2 HD3 LYS 39 - HA LYS 24 far 0 45 0 - 8.4-33.8 HB2 LEU 70 - HA LYS 24 far 0 43 0 - 9.9-25.3 Violated in 0 structures by 0.00 A. Peak 11684 from cnoeabs.peaks (0.69, 2.65, 35.91 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 43 + HG2 GLN 134 OK 98 98 100 100 2.4-5.4 9121=97, 2.1/9124=79...(25) Violated in 7 structures by 0.17 A. Peak 11685 from cnoeabs.peaks (0.74, 2.08, 35.91 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.83: QD2 LEU 43 + HG3 GLN 134 OK 83 87 95 100 1.8-5.7 10596/1.8=67...(34) HG12 ILE 129 - HG3 GLN 134 far 0 95 0 - 9.5-11.1 Violated in 3 structures by 0.16 A. Peak 11686 from cnoeabs.peaks (7.05, 1.82, 31.04 ppm; 6.47 A): 3 out of 3 assignments used, quality = 1.00: HE ARG 135 + HB3 ARG 135 OK 100 100 100 100 1.8-4.6 5.1=100 QD PHE 89 + HB VAL 93 OK 48 48 100 100 3.0-4.7 ~11424=92, ~11326=86...(19) QD PHE 89 + HB3 ARG 135 OK 34 85 60 66 6.4-10.0 10543/11884=34...(5) Violated in 0 structures by 0.00 A. Peak 11687 from cnoeabs.peaks (3.52, 2.03, 27.30 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 132 + HG3 ARG 135 OK 100 100 100 100 1.8-4.5 10527/1.8=91, 10526=81...(30) HA VAL 132 - HG3 PRO 81 poor 12 61 35 54 4.7-8.8 10624/4336=12...(11) Violated in 0 structures by 0.00 A. Peak 11688 from cnoeabs.peaks (4.12, 2.03, 27.30 ppm; 4.80 A): 1 out of 4 assignments used, quality = 0.61: HA ILE 80 + HG3 PRO 81 OK 61 61 100 100 4.4-4.7 2478/2.3=92...(25) HA3 GLY 114 - HG3 PRO 117 far 0 65 0 - 7.4-11.8 HA ILE 80 - HG3 ARG 135 far 0 100 0 - 8.1-10.9 HA CYS 79 - HG3 PRO 81 far 0 48 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 11689 from cnoeabs.peaks (1.14, 1.71, 27.30 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + HG2 ARG 135 OK 100 100 100 100 4.1-6.0 3.2/10019=73, ~11783=53...(42) QG1 VAL 132 + HG2 ARG 135 OK 99 99 100 100 2.5-5.1 3.2/10019=73...(42) HG2 LYS 39 - HG2 ARG 135 far 0 100 0 - 7.4-13.6 HG3 LYS 39 - HG2 ARG 135 far 0 85 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 11690 from cnoeabs.peaks (1.11, 2.94, 44.19 ppm; 4.27 A): 2 out of 3 assignments used, quality = 0.95: QG1 VAL 132 + HD2 ARG 135 OK 90 90 100 100 2.5-5.2 3.2/10529=61...(37) QG2 VAL 132 + HD2 ARG 135 OK 51 73 70 100 3.5-6.8 3.2/10529=61, ~10635=41...(37) HG2 LYS 39 - HD2 ARG 135 far 0 83 0 - 7.9-14.5 Violated in 6 structures by 0.11 A. Peak 11691 from cnoeabs.peaks (3.25, 0.75, 26.15 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 93 + QD2 LEU 96 OK 100 100 100 100 1.5-2.9 7311/5.1=48, 3065/3.2=48...(54) Violated in 0 structures by 0.00 A. Peak 11692 from cnoeabs.peaks (3.88, 0.75, 26.15 ppm; 4.46 A): 2 out of 7 assignments used, quality = 0.95: HA LEU 70 + QD2 LEU 96 OK 92 100 100 92 2.2-4.2 11105/11693=38...(17) HB2 SER 94 + QD2 LEU 96 OK 37 87 55 78 4.9-7.0 3.6/7283=27...(12) HA ALA 46 - QD2 LEU 96 far 5 97 5 - 5.4-10.8 HA3 GLY 75 - QD2 LEU 96 far 0 85 0 - 8.0-9.1 HB3 SER 50 - QD2 LEU 96 far 0 100 0 - 8.5-13.2 HA LYS 86 - QD2 LEU 96 far 0 100 0 - 8.7-10.6 HB2 SER 33 - QD2 LEU 96 far 0 65 0 - 9.6-18.1 Violated in 0 structures by 0.00 A. Peak 11693 from cnoeabs.peaks (2.93, 0.75, 26.15 ppm; 5.08 A): 1 out of 2 assignments used, quality = 0.94: HG CYS 73 + QD2 LEU 96 OK 94 97 100 97 2.2-5.9 11105/11810=53...(17) HB2 CYS 45 - QD2 LEU 96 far 0 90 0 - 7.1-13.1 Violated in 7 structures by 0.17 A. Peak 11694 from cnoeabs.peaks (1.66, 0.75, 26.15 ppm; 3.74 A): 1 out of 13 assignments used, quality = 0.36: HB2 LEU 69 + QD2 LEU 96 OK 36 99 40 92 3.7-7.8 3.0/11040=27...(22) HD3 LYS 95 - QD2 LEU 96 poor 18 100 30 61 4.9-8.8 5.0/11441=11...(21) HD2 LYS 95 - QD2 LEU 96 far 5 99 5 - 4.8-8.6 HB2 LEU 98 - QD2 LEU 96 far 0 97 0 - 6.2-9.1 QB ALA 88 - QD2 LEU 96 far 0 100 0 - 6.8-9.2 HB2 LEU 123 - QD2 LEU 96 far 0 96 0 - 7.4-9.9 HD2 LYS 36 - QD2 LEU 96 far 0 99 0 - 8.4-14.0 HG LEU 43 - QD2 LEU 96 far 0 85 0 - 9.2-13.7 HG LEU 62 - QD2 LEU 96 far 0 93 0 - 9.5-12.5 HD3 LYS 86 - QD2 LEU 96 far 0 100 0 - 9.5-13.9 HD3 LYS 31 - QD2 LEU 96 far 0 100 0 - 9.6-19.8 HD3 LYS 36 - QD2 LEU 96 far 0 99 0 - 9.7-14.2 HD2 LYS 31 - QD2 LEU 96 far 0 100 0 - 10.0-18.7 Violated in 19 structures by 2.31 A. Peak 11695 from cnoeabs.peaks (2.13, 0.75, 26.15 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLU 97 + QD2 LEU 96 OK 100 100 100 100 1.9-5.2 3.0/11809=66...(38) HB VAL 126 + QD2 LEU 96 OK 40 60 70 94 2.6-7.0 3.0/11807=56, ~11452=30...(16) HG3 GLU 91 - QD2 LEU 96 far 0 71 0 - 6.5-9.5 Violated in 0 structures by 0.00 A. Peak 11697 from cnoeabs.peaks (1.99, 3.84, 62.56 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: HB3 LEU 53 + HB2 SER 50 OK 100 100 100 100 4.6-6.6 1653/3.0=75, ~1644=65...(18) HB ILE 129 + HB2 SER 130 OK 67 67 100 100 3.9-5.1 7883/3.9=96...(16) HB2 GLN 134 - HB2 SER 130 poor 17 38 45 - 7.7-9.1 HB ILE 129 - HB2 SER 50 poor 8 97 25 33 7.5-11.2 11070/11773=15...(4) HB ILE 37 - HB2 SER 130 far 0 44 0 - 8.7-13.5 HB2 GLU 55 - HB2 SER 50 far 0 100 0 - 9.2-12.5 HB3 LEU 53 - HB2 SER 130 far 0 73 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 11698 from cnoeabs.peaks (0.94, 3.84, 62.56 ppm; 3.91 A): 4 out of 19 assignments used, quality = 0.97: QD1 LEU 123 + HB2 SER 50 OK 84 97 90 96 2.3-5.9 11874/3.0=47...(29) QD1 LEU 49 + HB2 SER 50 OK 69 71 100 97 2.2-3.7 2.1/11699=22...(38) QG1 VAL 126 + HB2 SER 50 OK 26 85 40 77 4.1-7.9 11601/3.9=34...(15) QG2 VAL 126 + HB2 SER 130 OK 26 42 80 77 4.0-6.2 11745/3.0=37...(12) QG1 VAL 126 - HB2 SER 130 poor 19 55 45 77 3.8-6.4 ~11745=25, 3.2/11669=20...(14) QG2 VAL 126 - HB2 SER 50 poor 17 68 45 54 4.1-7.8 ~10394=13, 11785/3.9=13...(12) QD2 LEU 53 - HB2 SER 50 far 9 60 15 - 3.2-7.5 QD1 LEU 49 - HB2 SER 130 poor 5 44 55 21 4.0-6.6 2.1/11699=6...(8) QD1 LEU 48 - HB2 SER 50 far 5 93 5 - 5.3-8.7 QD2 LEU 48 - HB2 SER 50 far 0 60 0 - 6.2-7.4 QD1 LEU 48 - HB2 SER 130 far 0 63 0 - 6.2-10.2 QD2 LEU 53 - HB2 SER 130 far 0 36 0 - 6.9-11.8 QD1 LEU 123 - HB2 SER 130 far 0 67 0 - 6.9-10.0 QD2 LEU 48 - HB2 SER 130 far 0 36 0 - 7.0-10.4 QG2 ILE 37 - HB2 SER 130 far 0 72 0 - 7.1-11.4 QD1 LEU 62 - HB2 SER 50 far 0 73 0 - 8.1-11.5 QD1 LEU 119 - HB2 SER 50 far 0 100 0 - 9.1-13.6 QG2 ILE 37 - HB2 SER 50 far 0 100 0 - 9.4-16.1 QG1 VAL 57 - HB2 SER 50 far 0 97 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 11699 from cnoeabs.peaks (0.78, 3.84, 62.56 ppm; 4.46 A): 4 out of 17 assignments used, quality = 0.98: QD2 LEU 49 + HB2 SER 50 OK 82 92 90 99 4.9-6.2 9218/3.0=31, 6621/3.9=29...(37) QD1 LEU 53 + HB2 SER 50 OK 75 96 80 98 3.1-6.4 2.1/11816=51...(21) QD2 LEU 43 + HB2 SER 130 OK 40 40 100 100 3.1-4.8 10509/1.8=80...(23) QD2 LEU 49 + HB2 SER 130 OK 21 61 80 43 4.9-6.5 10898/1600=14...(10) QD2 LEU 122 - HB2 SER 50 far 5 100 5 - 5.8-10.8 QD2 LEU 43 - HB2 SER 50 far 3 65 5 - 5.8-10.1 QD1 LEU 96 - HB2 SER 130 far 0 67 0 - 6.1-9.2 QD1 LEU 122 - HB2 SER 50 far 0 71 0 - 6.2-10.0 QD1 LEU 53 - HB2 SER 130 far 0 65 0 - 6.8-9.8 QD1 ILE 37 - HB2 SER 130 far 0 72 0 - 6.9-12.0 QD2 LEU 122 - HB2 SER 130 far 0 71 0 - 7.3-11.9 QD1 LEU 122 - HB2 SER 130 far 0 44 0 - 7.4-10.5 QD2 LEU 119 - HB2 SER 50 far 0 85 0 - 7.4-14.8 QD1 ILE 32 - HB2 SER 130 far 0 71 0 - 7.7-14.7 QD1 LEU 96 - HB2 SER 50 far 0 97 0 - 8.8-11.3 QD1 ILE 32 - HB2 SER 50 far 0 100 0 - 9.0-16.6 QD1 ILE 37 - HB2 SER 50 far 0 100 0 - 9.6-16.2 Violated in 0 structures by 0.00 A. Peak 11700 from cnoeabs.peaks (8.48, 0.80, 26.96 ppm; 5.05 A): 2 out of 5 assignments used, quality = 0.91: H LEU 70 + QD2 LEU 49 OK 77 83 100 93 4.0-6.5 3.6/11056=32...(20) H ASP 47 + QD2 LEU 49 OK 60 63 100 95 4.4-5.2 3.6/10951=56...(19) H LEU 100 - QD2 LEU 49 far 0 100 0 - 7.4-10.3 H GLU 97 - QD2 LEU 49 far 0 92 0 - 7.6-10.5 H VAL 132 - QD2 LEU 49 far 0 95 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 11702 from cnoeabs.peaks (4.01, 0.81, 25.23 ppm; 3.60 A): 2 out of 21 assignments used, quality = 0.95: HB3 SER 99 + QD1 LEU 122 OK 83 100 85 98 3.6-6.9 11476=40, 1.8/11479=38...(27) HA LEU 119 + QD1 LEU 122 OK 70 90 85 91 2.0-5.7 3764/3.1=37, 3759=24...(24) HA GLN 68 - QD1 LEU 70 far 2 50 5 - 4.5-7.0 HA SER 50 - QD1 LEU 122 far 0 95 0 - 5.2-8.9 HB3 SER 99 - QD1 LEU 70 far 0 61 0 - 5.2-8.4 HB3 SER 124 - QD1 LEU 122 far 0 83 0 - 5.2-7.7 HB2 SER 124 - QD1 LEU 122 far 0 93 0 - 6.0-8.3 HA LYS 95 - QD1 LEU 70 far 0 57 0 - 6.2-9.1 HA LYS 95 - QD1 LEU 122 far 0 97 0 - 6.2-9.7 HA LEU 103 - QD1 LEU 122 far 0 99 0 - 6.3-9.0 HA LEU 119 - QD1 LEU 70 far 0 50 0 - 6.6-10.9 HA GLN 68 - QD1 LEU 122 far 0 90 0 - 6.7-11.3 HA SER 60 - QD1 LEU 122 far 0 100 0 - 6.8-12.0 HA LEU 103 - QD1 LEU 70 far 0 59 0 - 7.3-10.6 HB3 SER 124 - QD1 LEU 70 far 0 44 0 - 7.4-13.1 HB2 SER 124 - QD1 LEU 70 far 0 52 0 - 7.8-13.0 HA SER 50 - QD1 LEU 70 far 0 54 0 - 8.1-13.1 HA GLU 91 - QD1 LEU 70 far 0 30 0 - 8.6-11.0 HA ILE 37 - QD1 LEU 70 far 0 56 0 - 8.6-14.5 HA ILE 37 - QD1 LEU 122 far 0 97 0 - 8.8-18.0 HB3 SER 51 - QD1 LEU 122 far 0 63 0 - 9.4-12.3 Violated in 7 structures by 0.14 A. Peak 11706 from cnoeabs.peaks (2.61, 0.78, 24.12 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.98: HB2 ASN 59 + QD1 LEU 103 OK 98 98 100 100 3.8-5.7 1.8/11834=88...(17) HB2 ASP 71 - QD1 LEU 96 far 3 53 5 - 5.9-8.2 HB2 ASP 71 - QD1 LEU 103 far 0 87 0 - 8.8-15.8 Violated in 7 structures by 0.15 A. Peak 11707 from cnoeabs.peaks (2.88, 0.78, 24.12 ppm; 4.76 A): 1 out of 4 assignments used, quality = 0.97: HB3 ASN 59 + QD1 LEU 103 OK 97 97 100 100 2.5-5.2 1.8/11833=88...(21) HE2 LYS 95 - QD1 LEU 96 far 0 68 0 - 6.9-8.9 HE3 LYS 95 - QD1 LEU 96 far 0 68 0 - 7.1-9.1 HB3 ASP 131 - QD1 LEU 96 far 0 52 0 - 8.9-11.7 Violated in 2 structures by 0.03 A. Peak 11708 from cnoeabs.peaks (3.37, 0.78, 24.12 ppm; 6.17 A): 2 out of 5 assignments used, quality = 1.00: HA VAL 63 + QD1 LEU 103 OK 100 100 100 100 2.9-7.0 11832/2.1=100...(39) HB3 TYR 72 + QD1 LEU 96 OK 20 41 80 60 5.5-8.0 2178/11812=21...(8) HB2 HIS 67 - QD1 LEU 103 far 11 76 15 - 5.6-10.2 HB2 HIS 67 - QD1 LEU 96 lone 4 45 45 19 6.7-8.7 10998/11808=5...(5) HA VAL 63 - QD1 LEU 96 far 3 69 5 - 6.3-9.3 Violated in 2 structures by 0.02 A. Peak 11709 from cnoeabs.peaks (0.89, 4.02, 57.03 ppm; 3.77 A): 2 out of 8 assignments used, quality = 0.76: QG1 VAL 118 + HA LEU 103 OK 58 99 60 97 4.2-6.2 11705/3.0=38...(17) QG2 VAL 63 + HA LEU 103 OK 44 89 55 90 3.8-6.1 11822/3368=23...(21) QD1 LEU 62 - HA LEU 103 far 4 83 5 - 5.2-9.7 QD2 LEU 98 - HA LEU 103 far 0 89 0 - 7.0-9.9 QG2 VAL 20 - HA LEU 103 far 0 100 0 - 8.2-32.5 QD2 LEU 123 - HA LEU 103 far 0 98 0 - 8.6-12.0 QG1 VAL 20 - HA LEU 103 far 0 93 0 - 8.8-35.0 QD1 LEU 22 - HA LEU 103 far 0 100 0 - 9.1-31.9 Violated in 19 structures by 0.64 A. Peak 11710 from cnoeabs.peaks (4.30, 0.78, 24.12 ppm; 5.08 A): 2 out of 14 assignments used, quality = 0.68: HA SER 74 + QD1 LEU 96 OK 54 61 95 94 4.2-6.9 9590=38, 3.0/11130=35...(17) HA LEU 69 + QD1 LEU 96 OK 29 38 80 97 5.3-6.9 ~11805=62, ~11694=40...(15) HA ALA 109 - QD1 LEU 103 poor 18 65 35 78 4.3-8.1 ~11825=71, 2.1/11541=15...(4) HA ALA 110 - QD1 LEU 103 poor 17 83 20 - 3.7-10.9 HA ALA 108 - QD1 LEU 103 poor 14 65 50 43 2.0-9.1 3.0/11486=33...(4) HA ALA 15 - QD1 LEU 103 far 0 85 0 - 6.7-38.6 HA2 GLY 75 - QD1 LEU 96 far 0 59 0 - 7.3-10.0 HA GLN 61 - QD1 LEU 103 far 0 76 0 - 8.2-10.9 HA TYR 76 - QD1 LEU 96 far 0 66 0 - 8.7-11.2 HA ALA 108 - QD1 LEU 96 far 0 38 0 - 9.1-16.2 HA ALA 21 - QD1 LEU 103 far 0 93 0 - 9.2-32.2 HA ARG 23 - QD1 LEU 103 far 0 87 0 - 9.3-27.2 HA ASP 131 - QD1 LEU 96 far 0 68 0 - 9.7-12.6 HA LYS 31 - QD1 LEU 96 far 0 38 0 - 9.9-17.4 Violated in 2 structures by 0.06 A. Peak 11711 from cnoeabs.peaks (7.79, 0.74, 25.24 ppm; 5.93 A): 2 out of 2 assignments used, quality = 1.00: HD22 ASN 59 + QD2 LEU 103 OK 100 100 100 100 1.7-4.7 11427/2.1=99...(16) HD22 ASN 121 + QD2 LEU 103 OK 55 96 90 64 5.2-10.5 10335/11841=37...(6) Violated in 0 structures by 0.00 A. Peak 11712 from cnoeabs.peaks (7.43, 0.74, 25.24 ppm; 6.19 A): 3 out of 3 assignments used, quality = 1.00: HE22 GLN 104 + QD2 LEU 103 OK 100 100 100 100 2.9-6.6 3.5/11828=90...(13) H LEU 62 + QD2 LEU 103 OK 99 100 100 100 5.0-7.5 6780/10350=81...(9) H GLN 61 + QD2 LEU 103 OK 48 98 55 90 6.5-8.0 6749/10350=53...(7) Violated in 0 structures by 0.00 A. Peak 11713 from cnoeabs.peaks (6.59, 0.74, 25.24 ppm; 6.33 A): 1 out of 1 assignment used, quality = 1.00: HD21 ASN 59 + QD2 LEU 103 OK 100 100 100 100 1.8-5.9 11424/2.1=100...(18) Violated in 0 structures by 0.00 A. Peak 11714 from cnoeabs.peaks (8.19, 0.78, 24.12 ppm; 5.06 A): 2 out of 5 assignments used, quality = 0.80: H VAL 63 + QD1 LEU 103 OK 71 96 75 100 4.4-7.2 2.9/11835=81, ~11832=58...(13) H GLN 127 + QD1 LEU 96 OK 30 66 60 76 4.7-7.2 3.6/11452=38...(11) H LEU 122 - QD1 LEU 96 poor 13 67 20 - 5.8-8.6 H LEU 122 - QD1 LEU 103 far 5 99 5 - 5.7-8.3 H VAL 63 - QD1 LEU 96 far 0 62 0 - 8.4-11.3 Violated in 7 structures by 0.11 A. Peak 11715 from cnoeabs.peaks (8.21, 0.74, 25.24 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.98: H VAL 63 + QD2 LEU 103 OK 97 97 100 100 3.4-5.6 2.9/11832=82...(17) H LEU 122 + QD2 LEU 103 OK 30 63 80 59 4.7-7.3 7718/11841=13...(18) H SER 107 - QD2 LEU 103 poor 19 76 25 - 4.9-8.3 H GLN 127 - QD2 LEU 103 far 0 93 0 - 9.2-12.8 Violated in 2 structures by 0.05 A. Peak 11716 from cnoeabs.peaks (2.06, 0.74, 25.24 ppm; 3.86 A): 2 out of 10 assignments used, quality = 0.97: HB VAL 118 + QD2 LEU 103 OK 95 100 95 100 1.7-8.0 10069/2.1=79...(34) HB2 LEU 62 + QD2 LEU 103 OK 53 100 55 97 3.9-7.3 1.8/11823=66...(23) HG3 PRO 113 - QD2 LEU 103 far 5 100 5 - 4.2-12.4 HG2 PRO 117 - QD2 LEU 103 far 5 100 5 - 5.3-11.5 HG3 PRO 117 - QD2 LEU 103 far 0 99 0 - 5.5-12.7 HB2 GLU 102 - QD2 LEU 103 far 0 73 0 - 5.8-7.8 HB3 GLN 27 - QD2 LEU 103 far 0 100 0 - 6.1-20.2 HG3 PRO 58 - QD2 LEU 103 far 0 93 0 - 7.8-10.1 QE MET 11 - QD2 LEU 103 far 0 89 0 - 8.6-33.9 HB3 GLU 55 - QD2 LEU 103 far 0 90 0 - 9.2-14.4 Violated in 1 structures by 0.03 A. Peak 11717 from cnoeabs.peaks (2.22, 0.74, 25.24 ppm; 4.73 A): 2 out of 7 assignments used, quality = 0.96: HB3 GLN 104 + QD2 LEU 103 OK 95 100 95 100 3.9-6.3 7494/7491=70...(27) HB3 GLU 102 + QD2 LEU 103 OK 22 99 25 89 6.1-7.4 7469/7477=59...(18) HB2 GLN 101 - QD2 LEU 103 far 0 90 0 - 7.4-8.5 HB3 LEU 96 - QD2 LEU 103 far 0 93 0 - 7.5-11.0 HB3 GLU 97 - QD2 LEU 103 far 0 99 0 - 7.8-10.5 HB2 GLN 68 - QD2 LEU 103 far 0 100 0 - 8.4-11.6 HG2 GLN 68 - QD2 LEU 103 far 0 98 0 - 9.1-12.3 Violated in 16 structures by 0.39 A. Peak 11718 from cnoeabs.peaks (2.64, 0.74, 25.24 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.83: HB2 ASN 59 + QD2 LEU 103 OK 83 83 100 100 3.9-6.0 3.0/10350=91...(20) Violated in 5 structures by 0.05 A. Peak 11719 from cnoeabs.peaks (2.90, 0.74, 25.24 ppm; 6.11 A): 1 out of 1 assignment used, quality = 0.48: HB3 ASN 116 + QD2 LEU 103 OK 48 60 95 83 1.8-9.7 ~10232=44, 3.5/11416=34...(7) Violated in 1 structures by 0.18 A. Peak 11720 from cnoeabs.peaks (3.36, 0.74, 25.24 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 63 + QD2 LEU 103 OK 100 100 100 100 2.6-5.4 11835/2.1=85...(45) HB2 HIS 67 - QD2 LEU 103 poor 16 78 20 - 5.3-8.7 Violated in 2 structures by 0.04 A. Peak 11721 from cnoeabs.peaks (1.13, 0.74, 25.24 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.80: HB3 LEU 62 + QD2 LEU 103 OK 67 89 85 89 2.5-6.0 1.8/11826=28...(21) QG2 THR 115 + QD2 LEU 103 OK 38 99 45 85 3.8-8.4 10195/2.1=74, 10195=13...(9) Violated in 11 structures by 0.30 A. Peak 11722 from cnoeabs.peaks (0.91, 0.74, 25.24 ppm; 2.86 A): 3 out of 13 assignments used, quality = 1.00: QG2 VAL 63 + QD2 LEU 103 OK 97 100 100 97 1.8-2.8 2034/11832=28...(43) QG1 VAL 118 + QD2 LEU 103 OK 91 99 95 96 1.7-6.0 2.1/11826=29, ~10069=24...(28) QD1 LEU 62 + QD2 LEU 103 OK 66 99 85 78 1.7-4.8 3.2/11823=26...(23) QD2 LEU 123 - QD2 LEU 103 far 0 78 0 - 4.4-9.4 QG2 VAL 112 - QD2 LEU 103 far 0 89 0 - 4.7-11.5 QD1 LEU 123 - QD2 LEU 103 far 0 81 0 - 6.4-10.1 QD1 LEU 49 - QD2 LEU 103 far 0 99 0 - 6.5-10.1 QD1 LEU 48 - QD2 LEU 103 far 0 89 0 - 7.6-15.8 QD2 LEU 48 - QD2 LEU 103 far 0 100 0 - 7.6-14.6 QG2 VAL 20 - QD2 LEU 103 far 0 92 0 - 8.0-24.6 QG1 VAL 20 - QD2 LEU 103 far 0 100 0 - 8.4-26.7 QG2 ILE 37 - QD2 LEU 103 far 0 60 0 - 9.0-16.6 QD1 LEU 22 - QD2 LEU 103 far 0 96 0 - 9.3-25.0 Violated in 0 structures by 0.00 A. Peak 11723 from cnoeabs.peaks (4.79, 1.14, 23.15 ppm; 5.04 A): 2 out of 2 assignments used, quality = 0.98: HA ASN 85 + QG2 VAL 132 OK 97 97 100 100 3.0-5.1 ~10545=56, 2750/9861=45...(26) HA ASN 85 + QG1 VAL 132 OK 48 48 100 100 1.8-5.5 2750/9861=46...(26) Violated in 0 structures by 0.00 A. Peak 11724 from cnoeabs.peaks (4.01, 0.79, 26.18 ppm; 3.46 A): 5 out of 20 assignments used, quality = 0.99: HB3 SER 99 + QD2 LEU 122 OK 85 91 95 98 3.1-5.1 11476=47, 1.8/11379=33...(26) HA SER 50 + QD1 LEU 53 OK 82 90 100 91 1.9-4.6 11725/2.1=25...(19) HA LEU 119 + QD2 LEU 122 OK 48 85 65 87 1.9-6.0 3764/3.1=37, 3759=19...(22) HA LEU 119 + QD1 LEU 53 OK 43 95 55 84 1.8-8.1 11845/2.1=33, 3759=15...(24) HA LEU 96 + QD2 LEU 122 OK 36 51 90 78 1.9-5.7 3.0/10337=14...(32) HB3 SER 124 - QD1 LEU 53 poor 13 89 45 34 2.4-8.4 10373=10, 4.0/11585=8...(8) HB2 SER 124 - QD1 LEU 53 poor 8 89 30 31 2.5-9.1 1.8/10373=12...(7) HA SER 50 - QD2 LEU 122 far 0 80 0 - 5.4-9.6 HB3 SER 99 - QD1 LEU 53 far 0 99 0 - 5.5-11.2 HB3 SER 124 - QD2 LEU 122 far 0 78 0 - 5.7-7.5 HA LEU 96 - QD1 LEU 53 far 0 60 0 - 5.7-10.4 HB2 SER 124 - QD2 LEU 122 far 0 78 0 - 5.9-8.2 HA LYS 95 - QD2 LEU 122 far 0 91 0 - 5.9-8.8 HA LEU 103 - QD2 LEU 122 far 0 93 0 - 5.9-8.7 HA SER 60 - QD2 LEU 122 far 0 93 0 - 7.4-11.9 HA GLN 68 - QD2 LEU 122 far 0 74 0 - 7.7-10.1 HA GLN 68 - QD1 LEU 53 far 0 85 0 - 7.9-15.1 HA LEU 103 - QD1 LEU 53 far 0 100 0 - 7.9-15.8 HA SER 60 - QD1 LEU 53 far 0 100 0 - 8.9-14.8 HA LYS 95 - QD1 LEU 53 far 0 99 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 11725 from cnoeabs.peaks (4.01, 0.97, 25.20 ppm; 4.16 A): 2 out of 9 assignments used, quality = 0.91: HA SER 50 + QD2 LEU 53 OK 80 85 100 94 1.9-5.6 1644/3.1=35, 1653/3.1=31...(16) HA LEU 119 + QD2 LEU 53 OK 57 97 65 90 2.0-8.5 3790/1683=19...(29) HB3 SER 124 - QD2 LEU 53 poor 12 93 40 33 3.0-10.2 10373/2.1=17...(9) HB2 SER 124 - QD2 LEU 53 poor 9 83 30 34 4.0-11.1 ~10373=13, ~10373=7...(10) HB3 SER 99 - QD2 LEU 53 far 5 97 5 - 5.2-11.6 HA LEU 96 - QD2 LEU 53 far 0 68 0 - 6.7-11.5 HA LEU 103 - QD2 LEU 53 far 0 100 0 - 7.1-15.7 HA SER 60 - QD2 LEU 53 far 0 99 0 - 7.7-14.4 HA GLN 68 - QD2 LEU 53 far 0 78 0 - 8.9-16.6 Violated in 7 structures by 0.17 A. Peak 11727 from cnoeabs.peaks (0.91, 4.18, 56.53 ppm; 4.08 A): 4 out of 11 assignments used, quality = 0.92: QD1 LEU 123 + HA LEU 53 OK 51 89 75 77 1.8-7.3 10347/10038=40...(13) QD1 LEU 62 + HA LEU 53 OK 48 100 50 97 2.8-7.6 2.1/10038=77...(9) QD1 LEU 49 + HA LEU 53 OK 44 100 50 88 4.1-6.5 11726/3.0=24...(18) QD2 LEU 123 + HA LEU 53 OK 40 68 95 62 3.2-6.2 9275/9263=27...(12) QG1 VAL 118 - HA LEU 53 far 5 97 5 - 5.0-12.4 QD2 LEU 48 - HA LEU 53 far 0 100 0 - 6.2-10.2 QG1 VAL 20 - HA LEU 53 far 0 100 0 - 6.8-30.2 QG2 VAL 20 - HA LEU 53 far 0 85 0 - 7.0-28.0 QD1 LEU 48 - HA LEU 53 far 0 95 0 - 7.0-10.1 QG2 VAL 63 - HA LEU 53 far 0 100 0 - 7.5-10.7 QG2 VAL 112 - HA LEU 53 far 0 95 0 - 9.2-15.1 Violated in 2 structures by 0.02 A. Peak 11728 from cnoeabs.peaks (8.04, 0.79, 26.18 ppm; 4.95 A): 3 out of 9 assignments used, quality = 1.00: H ALA 52 + QD1 LEU 53 OK 96 96 100 100 4.5-5.9 3.3/1670=74, 10963=72...(27) H CYS 125 + QD2 LEU 122 OK 88 93 95 100 3.7-6.6 2.9/9259=59...(24) H CYS 125 + QD1 LEU 53 OK 34 100 60 56 4.3-7.4 3.4/11585=18...(12) H LEU 48 - QD1 LEU 53 far 0 100 0 - 6.8-9.4 H SER 130 - QD2 LEU 122 far 0 92 0 - 7.2-11.2 H ALA 52 - QD2 LEU 122 far 0 86 0 - 7.3-10.8 H SER 130 - QD1 LEU 53 far 0 100 0 - 7.4-10.1 H LEU 48 - QD2 LEU 122 far 0 92 0 - 8.3-12.6 H VAL 20 - QD1 LEU 53 far 0 76 0 - 9.6-30.5 Violated in 0 structures by 0.00 A. Peak 11730 from cnoeabs.peaks (8.49, 1.79, 41.89 ppm; 4.99 A): 5 out of 10 assignments used, quality = 1.00: H LEU 100 + HB3 LEU 103 OK 99 100 100 99 4.2-5.4 10047/3.9=37, ~3370=36...(29) H LEU 100 + HB3 LEU 122 OK 99 100 100 99 2.3-5.5 10026/3.1=29...(37) H LEU 100 + HB3 LEU 98 OK 91 91 100 100 4.6-6.4 ~3166=52, ~3166=50...(37) H GLU 97 + HB3 LEU 98 OK 86 87 100 100 4.1-5.8 3.9/7364=75...(19) H GLU 97 + HB3 LEU 122 OK 80 97 95 87 4.6-7.1 9998=27, 3.6/3858=20...(19) H LEU 70 - HB3 LEU 122 far 11 70 15 - 4.6-9.7 H SER 9 - HB2 LEU 48 far 0 70 0 - 8.0-47.1 H GLU 97 - HB3 LEU 103 far 0 97 0 - 8.3-10.1 H LEU 70 - HB2 LEU 48 far 0 43 0 - 8.5-13.8 H LEU 70 - HB3 LEU 103 far 0 71 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 11731 from cnoeabs.peaks (7.83, 1.71, 26.74 ppm; 4.45 A): 0 out of 2 assignments used, quality = 0.00: H GLU 102 - HG LEU 98 far 0 78 0 - 6.5-7.7 H ALA 92 - HG LEU 98 far 0 98 0 - 9.1-11.9 Violated in 20 structures by 2.55 A. Peak 11738 from cnoeabs.peaks (2.95, 4.35, 56.69 ppm; 4.45 A): 4 out of 24 assignments used, quality = 0.93: HE2 LYS 39 + HA GLN 134 OK 61 92 75 88 2.0-7.4 10577/11761=43...(13) HE3 LYS 39 + HA GLN 134 OK 47 85 75 74 1.9-9.1 9120/11899=22...(11) HE2 LYS 24 + HA LYS 24 OK 45 45 100 99 2.4-5.8 4.0/513=54, 4.0/524=51...(20) HE3 LYS 24 + HA LYS 24 OK 36 40 90 99 3.4-6.1 4.0/513=54, 4.0/524=51...(20) HE2 LYS 26 - HA LYS 24 poor 8 33 25 - 3.6-11.3 HE3 LYS 26 - HA LYS 24 poor 7 33 20 - 3.9-11.0 HD2 ARG 135 - HA GLN 134 far 5 99 5 - 4.0-8.1 HE2 LYS 36 - HA LYS 24 far 4 44 10 - 4.1-23.7 HE2 LYS 26 - HA ASP 47 far 3 68 5 - 4.9-28.4 HE3 LYS 26 - HA ASP 47 far 3 68 5 - 5.9-28.9 HE2 LYS 19 - HA LYS 24 far 2 43 5 - 5.5-16.4 HE3 LYS 36 - HA LYS 24 far 2 40 5 - 5.4-24.5 HE3 LYS 31 - HA LYS 24 far 2 33 5 - 5.5-17.1 HE2 LYS 31 - HA LYS 24 far 0 37 0 - 6.2-16.2 HE3 LYS 19 - HA ASP 47 far 0 74 0 - 6.5-41.3 HE3 LYS 19 - HA LYS 24 far 0 37 0 - 6.6-16.5 HB2 CYS 45 - HA ASP 47 far 0 90 0 - 7.2-8.4 HE2 LYS 19 - HA ASP 47 far 0 84 0 - 8.2-39.5 HB3 ASN 116 - HA LYS 24 far 0 42 0 - 8.7-34.4 HB3 ASN 121 - HA LYS 24 far 0 24 0 - 8.8-33.0 HB2 CYS 45 - HA LYS 24 far 0 48 0 - 8.8-25.5 HG CYS 73 - HA ASP 47 far 0 86 0 - 9.0-13.4 HE3 LYS 36 - HA ASP 47 far 0 79 0 - 9.3-19.6 HE2 LYS 39 - HA LYS 24 far 0 40 0 - 9.5-34.0 Violated in 2 structures by 0.04 A. Peak 11739 from cnoeabs.peaks (0.72, 2.33, 30.54 ppm; 6.27 A): 1 out of 1 assignment used, quality = 0.76: QD1 LEU 43 + HB3 GLN 134 OK 76 76 100 100 1.8-3.6 2.1/11074=99...(28) Violated in 0 structures by 0.00 A. Peak 11740 from cnoeabs.peaks (0.70, 2.02, 30.54 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HB2 GLN 134 OK 100 100 100 100 2.4-4.9 9121/2.9=88...(28) Violated in 0 structures by 0.00 A. Peak 11741 from cnoeabs.peaks (1.49, 1.06, 19.25 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.68: HG3 LYS 86 + QG1 VAL 77 OK 68 85 80 100 3.5-7.4 1.8/9650=88...(31) HG LEU 42 - QG1 VAL 77 far 0 99 0 - 8.4-11.1 HG LEU 69 - QG1 VAL 77 far 0 81 0 - 9.8-11.9 Violated in 10 structures by 0.57 A. Peak 11742 from cnoeabs.peaks (1.42, 1.18, 22.07 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: HG2 LYS 86 + QG2 VAL 77 OK 100 100 100 100 2.1-4.6 1.8/11743=65...(34) QB ALA 92 - QG2 VAL 77 far 0 99 0 - 5.4-5.9 QB ALA 34 - QG2 VAL 77 far 0 100 0 - 6.1-13.5 HG LEU 96 - QG2 VAL 77 far 0 71 0 - 7.0-9.8 Violated in 5 structures by 0.13 A. Peak 11743 from cnoeabs.peaks (1.50, 1.18, 22.07 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.74: HG3 LYS 86 + QG2 VAL 77 OK 74 78 95 100 1.8-6.0 1.8/11742=81...(30) HG LEU 42 - QG2 VAL 77 far 0 97 0 - 7.7-10.0 HG LEU 69 - QG2 VAL 77 far 0 87 0 - 9.1-11.9 Violated in 6 structures by 0.36 A. Peak 11744 from cnoeabs.peaks (1.04, 3.78, 62.15 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + HA SER 130 OK 100 100 100 100 1.9-4.2 11776/11747=80...(30) QG1 VAL 77 - HA SER 130 far 0 85 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 11745 from cnoeabs.peaks (0.93, 3.78, 62.15 ppm; 5.25 A): 1 out of 7 assignments used, quality = 0.35: QG2 VAL 126 + HA SER 130 OK 35 57 65 93 5.5-7.6 ~10497=27, 11603/2.9=25...(16) QD1 LEU 49 - HA SER 130 poor 16 81 20 - 6.2-8.8 QG1 VAL 126 - HA SER 130 far 8 76 10 - 5.3-8.0 QG2 ILE 37 - HA SER 130 far 0 100 0 - 7.7-10.8 QD1 LEU 48 - HA SER 130 far 0 97 0 - 8.1-12.0 QD2 LEU 48 - HA SER 130 far 0 71 0 - 8.4-12.6 QD1 LEU 123 - HA SER 130 far 0 99 0 - 9.0-12.3 Violated in 20 structures by 1.24 A. Peak 11746 from cnoeabs.peaks (0.82, 3.78, 62.15 ppm; 4.58 A): 2 out of 8 assignments used, quality = 1.00: QG2 ILE 129 + HA SER 130 OK 100 100 100 100 3.0-3.7 4143/2.9=73, ~7883=49...(37) QG1 VAL 133 + HA SER 130 OK 85 85 100 100 1.8-2.3 2.1/11861=77...(32) QG2 ILE 80 - HA SER 130 far 10 100 10 - 5.9-10.1 HG13 ILE 80 - HA SER 130 far 0 99 0 - 6.8-11.5 QD2 LEU 49 - HA SER 130 far 0 81 0 - 6.8-8.6 QD1 LEU 70 - HA SER 130 far 0 100 0 - 8.0-12.1 QD1 LEU 122 - HA SER 130 far 0 97 0 - 9.1-12.1 QD1 LEU 53 - HA SER 130 far 0 73 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 11747 from cnoeabs.peaks (0.75, 3.78, 62.15 ppm; 3.96 A): 1 out of 7 assignments used, quality = 1.00: QD2 LEU 43 + HA SER 130 OK 100 100 100 100 2.1-3.6 11720/3.0=57...(39) QD1 ILE 37 - HA SER 130 far 0 68 0 - 6.3-11.4 HG12 ILE 129 - HA SER 130 far 0 100 0 - 6.3-6.6 QD2 LEU 96 - HA SER 130 far 0 100 0 - 6.6-10.3 QD1 LEU 96 - HA SER 130 far 0 85 0 - 6.7-9.8 QG1 VAL 93 - HA SER 130 far 0 100 0 - 7.0-9.6 QD1 ILE 32 - HA SER 130 far 0 73 0 - 8.4-16.1 Violated in 0 structures by 0.00 A. Peak 11752 from cnoeabs.peaks (3.33, 1.18, 22.07 ppm; 4.93 A): 3 out of 4 assignments used, quality = 1.00: HB3 PHE 89 + QG2 VAL 77 OK 100 100 100 100 1.9-4.5 2.7/9677=95, 4.5/9676=66...(26) HB2 PHE 89 + QG2 VAL 77 OK 87 87 100 100 1.8-4.4 2.7/9677=95, 4.5/9676=66...(30) HB3 CYS 73 + QG2 VAL 77 OK 69 97 80 90 4.2-7.1 9581/9969=43...(15) HB3 TYR 72 - QG2 VAL 77 far 0 99 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 11753 from cnoeabs.peaks (8.55, 1.06, 19.25 ppm; 6.56 A): 1 out of 1 assignment used, quality = 0.92: H ARG 90 + QG1 VAL 77 OK 92 92 100 100 3.9-5.9 11865/2.1=99...(20) Violated in 0 structures by 0.00 A. Peak 11754 from cnoeabs.peaks (8.57, 1.18, 22.07 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.99: H ARG 90 + QG2 VAL 77 OK 99 99 100 100 2.1-3.6 2.9/11192=79...(22) Violated in 0 structures by 0.00 A. Peak 11756 from cnoeabs.peaks (4.67, 3.80, 63.71 ppm; 5.18 A): 2 out of 8 assignments used, quality = 0.93: HA HIS 10 + HB2 SER 9 OK 73 76 100 96 4.1-6.0 ~6054=56, ~100=54...(7) HA HIS 10 + HB3 SER 9 OK 73 76 100 96 3.8-5.8 ~6054=56, ~100=54...(7) HA HIS 7 - HB2 SER 9 poor 19 76 25 - 5.8-9.6 HA ASN 13 - HB2 SER 9 far 5 96 5 - 6.2-15.3 HA HIS 7 - HB3 SER 9 far 4 76 5 - 6.5-9.5 HA ASN 13 - HB3 SER 9 far 0 96 0 - 7.9-16.0 HA HIS 4 - HB2 SER 9 far 0 60 0 - 8.5-19.6 HA HIS 4 - HB3 SER 9 far 0 60 0 - 8.6-20.0 Violated in 0 structures by 0.00 A. Peak 11758 from cnoeabs.peaks (8.42, 2.47, 31.70 ppm; 4.86 A): 2 out of 3 assignments used, quality = 1.00: H MET 11 + HG2 MET 11 OK 100 100 100 100 1.9-3.8 6069=99, 6067/2.9=95...(9) H ALA 12 + HG2 MET 11 OK 65 65 100 99 2.9-5.3 3.6/130=78, 4.6/6069=61...(7) H ASN 13 - HG2 MET 11 far 13 85 15 - 4.8-8.7 Violated in 0 structures by 0.00 A. Peak 11759 from cnoeabs.peaks (1.37, 2.81, 38.79 ppm; 5.44 A): 1 out of 9 assignments used, quality = 0.96: QB ALA 12 + HB2 ASN 13 OK 96 97 100 100 4.5-6.0 6085/6087=90...(7) QB ALA 15 - HB2 ASN 13 poor 14 96 35 42 4.6-8.7 10659/6107=24...(4) HG2 LYS 24 - HB2 ASN 13 far 5 98 5 - 5.9-26.8 QB ALA 28 - HB2 ASN 13 far 5 95 5 - 6.3-25.4 HG2 LYS 19 - HB2 ASN 13 lone 4 99 45 8 3.8-19.5 10656/1.8=2, 10654/3.0=2 QB ALA 21 - HB2 ASN 13 far 3 60 5 - 4.6-16.9 QB ALA 29 - HB2 ASN 13 far 0 97 0 - 7.5-27.0 HG3 LYS 31 - HB2 ASN 13 far 0 83 0 - 8.6-28.6 HG2 LYS 36 - HB2 ASN 13 far 0 97 0 - 9.0-35.5 Violated in 9 structures by 0.13 A. Peak 11763 from cnoeabs.peaks (1.17, 4.27, 56.54 ppm; 4.20 A): 5 out of 18 assignments used, quality = 1.00: QG2 THR 18 + HA LYS 19 OK 99 100 100 99 2.8-4.4 6147/3.0=51...(17) QG2 THR 25 + HA LYS 26 OK 91 92 100 99 2.9-5.6 6248/2.9=70, ~6247=45...(18) HG12 ILE 32 + HA LYS 31 OK 48 83 60 97 4.4-6.6 6354/6342=76, ~10802=24...(24) QB ALA 41 + HA LYS 36 OK 43 70 70 87 1.6-7.1 10904/6403=51...(10) HG12 ILE 32 + HA LYS 26 OK 27 95 40 70 3.6-13.0 2.1/10753=13...(31) HG12 ILE 32 - HA LYS 36 poor 16 64 25 - 4.5-12.8 QG2 THR 25 - HA LYS 31 far 12 79 15 - 3.7-12.0 QG2 THR 25 - HA LYS 19 far 9 93 10 - 4.6-15.1 QG2 THR 25 - HA LYS 36 far 6 61 10 - 4.7-22.7 QG2 THR 18 - HA LYS 31 far 4 89 5 - 3.6-23.3 QG2 THR 18 - HA LYS 36 far 4 70 5 - 5.2-32.6 QB ALA 41 - HA LYS 26 far 0 99 0 - 6.3-20.6 QG2 THR 18 - HA LYS 26 far 0 100 0 - 7.1-17.1 QB ALA 41 - HA LYS 31 far 0 89 0 - 7.5-15.3 QB ALA 41 - HA LYS 19 far 0 100 0 - 8.8-28.2 HG3 LYS 39 - HA LYS 36 far 0 56 0 - 8.9-13.5 HB3 LEU 62 - HA LYS 26 far 0 59 0 - 9.2-22.7 HG12 ILE 32 - HA LYS 19 far 0 97 0 - 9.5-24.9 Violated in 0 structures by 0.00 A. Peak 11764 from cnoeabs.peaks (0.90, 4.27, 56.54 ppm; 4.48 A): 3 out of 30 assignments used, quality = 1.00: QG1 VAL 20 + HA LYS 19 OK 99 99 100 100 4.1-4.7 10712/3.0=81, 348/3.6=75...(21) QG2 VAL 20 + HA LYS 19 OK 77 97 80 99 5.1-6.1 354/3.6=62, ~10712=50...(17) QD1 LEU 22 + HA LYS 19 OK 42 99 70 61 1.9-9.6 409=22, 2.1/401=9...(14) QG1 VAL 20 - HA LYS 31 far 13 87 15 - 2.4-18.7 QD2 LEU 48 - HA LYS 36 far 10 68 15 - 5.2-16.3 QD2 LEU 48 - HA LYS 26 far 10 98 10 - 5.2-21.8 QG2 VAL 20 - HA LYS 36 far 10 65 15 - 5.8-24.3 QG2 VAL 20 - HA LYS 26 far 10 96 10 - 4.4-13.5 QG2 VAL 20 - HA LYS 31 far 8 84 10 - 4.6-18.5 QG1 VAL 20 - HA LYS 36 far 7 69 10 - 4.1-26.6 QD1 LEU 48 - HA LYS 19 far 4 78 5 - 3.8-27.3 QD1 LEU 48 - HA LYS 26 far 4 77 5 - 5.4-19.8 QG1 VAL 20 - HA LYS 26 far 0 99 0 - 6.3-14.0 QD2 LEU 48 - HA LYS 19 far 0 99 0 - 6.3-27.3 QD1 LEU 48 - HA LYS 36 far 0 48 0 - 6.7-14.8 QG2 VAL 63 - HA LYS 26 far 0 97 0 - 6.9-18.9 QD1 LEU 48 - HA LYS 31 far 0 64 0 - 7.2-18.9 QD1 LEU 22 - HA LYS 31 far 0 87 0 - 7.7-19.4 QD1 LEU 22 - HA LYS 36 far 0 68 0 - 7.9-29.6 QD1 LEU 22 - HA LYS 26 far 0 98 0 - 8.0-11.2 QG2 VAL 112 - HA LYS 19 far 0 78 0 - 8.2-40.7 QD2 LEU 48 - HA LYS 31 far 0 87 0 - 8.2-19.8 QD1 LEU 62 - HA LYS 26 far 0 94 0 - 8.6-19.7 QD2 LEU 98 - HA LYS 26 far 0 69 0 - 8.6-23.8 QD1 LEU 49 - HA LYS 26 far 0 95 0 - 8.7-19.3 QD1 LEU 49 - HA LYS 36 far 0 64 0 - 8.8-17.1 QD2 LEU 123 - HA LYS 26 far 0 87 0 - 9.1-19.0 QG2 VAL 112 - HA LYS 26 far 0 77 0 - 9.2-30.6 QG1 VAL 118 - HA LYS 26 far 0 100 0 - 9.6-21.1 QG2 VAL 63 - HA LYS 31 far 0 85 0 - 10.0-17.5 Violated in 0 structures by 0.00 A. Peak 11770 from cnoeabs.peaks (2.97, 4.27, 56.54 ppm; 4.48 A): 10 out of 43 assignments used, quality = 1.00: HE3 LYS 19 + HA LYS 19 OK 92 100 100 92 2.0-5.4 6.4=35, 3.8/627=21...(34) HE2 LYS 19 + HA LYS 19 OK 90 99 100 92 3.2-5.7 6.4=35, 3.8/627=21...(34) HE3 LYS 26 + HA LYS 26 OK 86 100 100 87 3.4-6.0 6.6=31, 3.6/627=23...(23) HE3 LYS 31 + HA LYS 31 OK 79 89 100 89 2.5-5.6 6.5=33, 3.7/822=21...(28) HE2 LYS 31 + HA LYS 31 OK 79 89 100 89 1.9-5.7 6.5=33, 3.7/822=21...(28) HE2 LYS 26 + HA LYS 26 OK 78 100 90 87 2.7-6.4 6.6=31, 3.6/627=23...(23) HE3 LYS 36 + HA LYS 36 OK 49 69 75 94 2.9-6.5 6.0=42, 1064/3.0=28...(24) HE2 LYS 36 + HA LYS 36 OK 44 66 70 94 3.9-6.2 6.0=42, 1064/3.0=28...(24) HE2 LYS 24 + HA LYS 19 OK 31 97 40 81 1.9-16.1 4.0/822=4, 4.0/241=4...(36) HE3 LYS 24 + HA LYS 19 OK 31 100 40 78 2.9-16.7 4.0/822=4, 4.0/241=4...(20) HE3 LYS 31 - HA LYS 26 poor 20 100 20 - 4.4-13.1 HE2 LYS 31 - HA LYS 26 poor 20 100 20 - 5.0-12.6 HB2 CYS 45 - HA LYS 36 poor 16 44 35 - 2.7-11.7 HE2 LYS 26 - HA LYS 31 far 13 89 15 - 5.0-18.9 HE3 LYS 26 - HA LYS 31 far 13 89 15 - 5.3-18.9 HE3 LYS 36 - HA LYS 31 far 13 88 15 - 4.8-12.9 HE3 LYS 26 - HA LYS 36 far 11 70 15 - 3.5-29.4 HE2 LYS 36 - HA LYS 26 far 10 97 10 - 5.2-22.3 HE2 LYS 26 - HA LYS 36 far 7 70 10 - 3.2-29.7 HE2 LYS 24 - HA LYS 26 far 5 95 5 - 5.6-11.4 HE3 LYS 19 - HA LYS 31 far 4 89 5 - 5.6-27.5 HE2 LYS 19 - HA LYS 31 far 4 86 5 - 5.1-27.7 HE2 LYS 36 - HA LYS 31 far 4 85 5 - 5.5-13.1 HE2 LYS 24 - HA LYS 31 far 0 83 0 - 6.0-19.7 HE2 LYS 24 - HA LYS 36 far 0 64 0 - 6.4-29.6 HE3 LYS 24 - HA LYS 26 far 0 99 0 - 6.6-11.5 HE3 LYS 36 - HA LYS 26 far 0 99 0 - 6.7-22.7 HE3 LYS 31 - HA LYS 19 far 0 100 0 - 6.8-26.4 HB2 CYS 45 - HA LYS 31 far 0 59 0 - 6.8-18.1 HE3 LYS 31 - HA LYS 36 far 0 70 0 - 7.1-15.1 HE3 LYS 24 - HA LYS 31 far 0 88 0 - 7.3-20.2 HE2 LYS 31 - HA LYS 36 far 0 70 0 - 7.3-13.7 HE3 LYS 24 - HA LYS 36 far 0 69 0 - 7.3-29.3 HE2 LYS 31 - HA LYS 19 far 0 100 0 - 7.4-25.6 HE2 LYS 26 - HA LYS 19 far 0 100 0 - 7.6-22.7 HE3 LYS 19 - HA LYS 26 far 0 100 0 - 8.1-22.8 HE3 LYS 36 - HA LYS 19 far 0 100 0 - 8.2-32.4 HE2 LYS 19 - HA LYS 26 far 0 98 0 - 8.8-21.4 HE3 LYS 26 - HA LYS 19 far 0 100 0 - 9.0-22.6 HB2 CYS 45 - HA LYS 26 far 0 72 0 - 9.2-23.6 HE3 LYS 19 - HA LYS 36 far 0 70 0 - 9.4-39.4 HE2 LYS 19 - HA LYS 36 far 0 67 0 - 9.4-39.5 HE2 LYS 36 - HA LYS 19 far 0 98 0 - 9.8-31.9 Violated in 0 structures by 0.00 A. Peak 11771 from cnoeabs.peaks (0.92, 4.29, 52.41 ppm; 3.31 A): 2 out of 64 assignments used, quality = 0.51: QG2 VAL 112 + HA ALA 109 OK 30 83 40 91 3.8-10.0 11548/2.1=41, ~10135=32...(13) QG1 VAL 20 + HA ALA 21 OK 30 93 35 91 3.2-5.7 353/3.0=32, ~10711=25...(14) QG1 VAL 20 - HA ALA 15 poor 18 88 20 - 4.3-10.1 QG2 VAL 63 - HA ALA 108 poor 16 46 35 - 2.5-11.1 QG1 VAL 20 - HA ALA 16 far 9 63 15 - 2.1-9.6 QG2 VAL 112 - HA ALA 16 far 7 73 10 - 4.0-43.0 QD1 LEU 22 - HA ALA 21 far 7 65 10 - 3.4-6.7 QG2 VAL 112 - HA ALA 15 far 5 97 5 - 2.3-45.6 QG1 VAL 20 - HA ALA 12 far 5 90 5 - 4.4-14.5 QD1 LEU 22 - HA ALA 12 far 3 63 5 - 3.6-16.9 QD1 LEU 119 - HA ALA 109 far 3 62 5 - 4.1-12.7 QG1 VAL 57 - HA ALA 15 far 3 60 5 - 4.3-34.2 QD1 LEU 119 - HA ALA 110 far 3 54 5 - 4.7-13.6 QD1 LEU 62 - HA ALA 108 far 0 49 0 - 4.8-11.3 QG2 ILE 37 - HA ALA 16 far 0 63 0 - 4.8-25.5 QD1 LEU 22 - HA ALA 15 far 0 60 0 - 4.9-15.0 QG2 VAL 112 - HA ALA 110 far 0 73 0 - 5.0-8.2 QG1 VAL 118 - HA ALA 108 far 0 34 0 - 5.1-12.3 QG2 ILE 37 - HA ALA 21 far 0 93 0 - 5.2-25.0 QG2 VAL 63 - HA ALA 109 far 0 77 0 - 5.2-11.7 QD1 LEU 119 - HA ALA 108 far 0 36 0 - 5.3-13.7 QD1 LEU 22 - HA ALA 108 far 0 27 0 - 5.3-36.7 QD1 LEU 62 - HA ALA 110 far 0 70 0 - 5.6-13.7 QD1 LEU 62 - HA ALA 109 far 0 80 0 - 5.6-11.6 QG1 VAL 57 - HA ALA 21 far 0 65 0 - 5.6-27.3 QG2 VAL 63 - HA ALA 110 far 0 67 0 - 5.7-13.1 QG1 VAL 118 - HA ALA 109 far 0 58 0 - 5.8-11.8 QG2 VAL 112 - HA ALA 108 far 0 51 0 - 5.8-13.9 QG1 VAL 57 - HA ALA 16 far 0 40 0 - 5.8-32.3 QG1 VAL 20 - HA ALA 108 far 0 44 0 - 5.9-39.7 QD2 LEU 48 - HA ALA 21 far 0 95 0 - 6.2-23.4 QG2 ILE 37 - HA ALA 12 far 0 90 0 - 6.3-29.1 QD1 LEU 119 - HA ALA 21 far 0 83 0 - 6.4-31.7 QG1 VAL 57 - HA ALA 12 far 0 63 0 - 6.5-35.4 QG1 VAL 118 - HA ALA 21 far 0 78 0 - 6.5-30.2 QD1 LEU 48 - HA ALA 21 far 0 100 0 - 6.6-23.5 QD1 LEU 22 - HA ALA 110 far 0 41 0 - 6.7-39.1 QG1 VAL 118 - HA ALA 110 far 0 50 0 - 6.7-14.7 QG1 VAL 20 - HA ALA 110 far 0 64 0 - 6.9-42.5 QG1 VAL 57 - HA ALA 110 far 0 41 0 - 6.9-19.9 QD1 LEU 22 - HA ALA 16 far 0 40 0 - 7.1-14.0 QG1 VAL 57 - HA ALA 109 far 0 48 0 - 7.1-18.0 QD1 LEU 22 - HA ALA 109 far 0 48 0 - 7.3-38.1 QD1 LEU 48 - HA ALA 12 far 0 99 0 - 7.7-29.7 QG2 ILE 37 - HA ALA 15 far 0 88 0 - 7.8-26.1 QG1 VAL 20 - HA ALA 109 far 0 73 0 - 8.1-41.7 QD1 LEU 48 - HA ALA 16 far 0 73 0 - 8.1-25.8 QD1 LEU 48 - HA ALA 15 far 0 97 0 - 8.2-25.6 QD1 LEU 119 - HA ALA 15 far 0 77 0 - 8.2-38.2 QD1 LEU 119 - HA ALA 16 far 0 53 0 - 8.3-36.2 QG2 VAL 63 - HA ALA 15 far 0 92 0 - 8.5-35.1 QD1 LEU 123 - HA ALA 16 far 0 71 0 - 8.6-32.2 QD2 LEU 48 - HA ALA 16 far 0 64 0 - 8.7-25.3 QD2 LEU 48 - HA ALA 12 far 0 92 0 - 8.8-30.7 QD1 LEU 49 - HA ALA 16 far 0 69 0 - 8.9-29.4 QG2 VAL 112 - HA ALA 21 far 0 100 0 - 9.3-38.9 QG2 VAL 63 - HA ALA 12 far 0 94 0 - 9.5-36.3 QG1 VAL 57 - HA ALA 108 far 0 27 0 - 9.8-18.4 QD1 LEU 62 - HA ALA 21 far 0 99 0 - 9.8-28.9 QD1 LEU 62 - HA ALA 15 far 0 95 0 - 9.8-35.5 QG2 VAL 112 - HA ALA 12 far 0 99 0 - 9.9-46.3 QD1 LEU 49 - HA ALA 21 far 0 98 0 - 10.0-24.4 QD1 LEU 62 - HA ALA 12 far 0 97 0 - 10.0-36.3 QD1 LEU 62 - HA ALA 16 far 0 69 0 - 10.0-33.2 Violated in 16 structures by 0.99 A. Peak 11772 from cnoeabs.peaks (4.00, 0.93, 23.65 ppm; 3.24 A): 2 out of 27 assignments used, quality = 0.92: HA SER 50 + QD1 LEU 123 OK 83 100 100 83 1.7-3.9 11636/2.1=35, 339=14...(26) HA SER 50 + QD1 LEU 49 OK 50 53 100 95 2.0-2.8 9218/2.1=22, 339=16...(41) HA GLN 127 - QD1 LEU 123 poor 19 65 35 82 4.1-7.9 3.8/11637=34...(17) HA LEU 119 - QD1 LEU 123 poor 17 60 35 81 3.1-7.6 11636/2.1=22...(24) HA GLN 127 - QD1 LEU 49 poor 16 28 95 61 2.7-4.8 3.8/10437=17...(10) HB2 SER 124 - QD1 LEU 123 far 15 100 15 - 3.3-7.0 HA THR 65 - QD2 LEU 48 poor 6 23 25 - 4.1-7.8 HB3 SER 51 - QD2 LEU 48 far 4 35 10 - 4.2-6.6 HA VAL 20 - QD2 LEU 48 far 0 41 0 - 5.2-24.1 HA LEU 119 - QD1 LEU 49 far 0 25 0 - 5.4-9.4 HA THR 65 - QD1 LEU 49 far 0 29 0 - 5.6-7.8 HB3 SER 51 - QD1 LEU 49 far 0 44 0 - 5.9-6.7 HA SER 50 - QD2 LEU 48 far 0 43 0 - 5.9-7.4 HB3 SER 51 - QD1 LEU 123 far 0 92 0 - 6.1-8.3 HB2 SER 124 - QD1 LEU 49 far 0 53 0 - 6.1-9.1 HA THR 65 - QD1 LEU 123 far 0 68 0 - 6.9-11.3 HA ILE 37 - QD2 LEU 48 far 0 26 0 - 6.9-13.6 HA GLN 127 - QD2 LEU 48 far 0 22 0 - 7.1-9.5 HA GLN 68 - QD2 LEU 48 far 0 42 0 - 7.6-11.5 HB3 SER 99 - QD1 LEU 123 far 0 98 0 - 7.8-10.6 HB3 SER 99 - QD1 LEU 49 far 0 50 0 - 8.0-10.8 HA ILE 37 - QD1 LEU 49 far 0 32 0 - 8.1-14.3 HA GLN 68 - QD1 LEU 49 far 0 53 0 - 8.1-10.9 HA SER 60 - QD2 LEU 48 far 0 37 0 - 8.3-15.1 HA VAL 20 - QD1 LEU 49 far 0 52 0 - 9.0-25.3 HB2 SER 38 - QD2 LEU 48 far 0 32 0 - 9.6-15.1 HA SER 60 - QD1 LEU 123 far 0 95 0 - 9.7-15.8 Violated in 0 structures by 0.00 A. Peak 11773 from cnoeabs.peaks (0.87, 3.84, 62.56 ppm; 5.18 A): 3 out of 10 assignments used, quality = 0.99: QD2 LEU 123 + HB2 SER 50 OK 97 97 100 99 1.9-6.4 11636/3.0=55, ~11874=46...(29) QD2 LEU 69 + HB2 SER 130 OK 49 71 100 68 2.6-6.5 11060/11718=29...(8) QD2 LEU 69 + HB2 SER 50 OK 38 100 60 63 4.4-9.1 11060/11718=29...(9) QD2 LEU 123 - HB2 SER 130 poor 17 67 25 - 6.2-10.1 QD2 LEU 70 - HB2 SER 130 far 8 57 15 - 6.2-11.5 QD2 LEU 70 - HB2 SER 50 far 0 87 0 - 8.0-13.6 QG1 VAL 118 - HB2 SER 50 far 0 71 0 - 8.6-13.1 QG2 VAL 20 - HB2 SER 50 far 0 89 0 - 8.7-27.4 QG2 VAL 57 - HB2 SER 50 far 0 96 0 - 8.7-9.5 QG2 ILE 32 - HB2 SER 130 far 0 53 0 - 8.9-14.3 Violated in 1 structures by 0.01 A. Peak 11774 from cnoeabs.peaks (0.94, 4.42, 61.58 ppm; 5.87 A): 3 out of 12 assignments used, quality = 0.98: QD1 LEU 123 + HA THR 54 OK 94 97 100 97 2.1-7.1 11568=42, 11640/1698=39...(10) QD2 LEU 53 + HA THR 54 OK 62 63 100 99 2.2-6.0 ~9278=53, 6681/3.0=53...(8) QD1 LEU 119 + HA THR 54 OK 35 100 50 70 4.2-12.3 ~3789=16, ~9278=16...(9) QG1 VAL 57 - HA THR 54 far 10 97 10 - 7.3-8.3 QG1 VAL 126 - HA THR 54 far 9 87 10 - 6.9-12.8 QG2 VAL 126 - HA THR 54 far 7 71 10 - 6.5-13.0 QD1 LEU 49 - HA THR 54 poor 5 68 35 23 5.9-9.4 ~6679=8, 3950/11569=7...(4) QD1 LEU 62 - HA THR 54 lone 2 71 30 8 6.1-11.3 3925/3918=3...(3) QG1 VAL 112 - HA THR 54 far 0 60 0 - 8.1-16.3 QD2 LEU 48 - HA THR 54 far 0 57 0 - 8.7-13.1 QG2 VAL 112 - HA THR 54 far 0 92 0 - 9.0-18.0 QD1 LEU 48 - HA THR 54 far 0 92 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 11775 from cnoeabs.peaks (1.19, 3.07, 41.80 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.84: QG2 VAL 77 + HE2 LYS 86 OK 78 98 80 100 2.3-6.6 11196=97, 9660/1.8=75...(21) HG12 ILE 80 + HE2 LYS 86 OK 27 81 35 97 3.8-7.6 2.1/11220=54...(27) Violated in 14 structures by 0.47 A. Peak 11776 from cnoeabs.peaks (1.05, 3.07, 41.80 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.58: QG1 VAL 77 + HE2 LYS 86 OK 58 97 60 100 2.5-7.7 11201=94, 2.1/11196=88...(19) QG2 VAL 133 - HE2 LYS 86 far 0 97 0 - 8.2-12.1 Violated in 14 structures by 1.12 A. Peak 11777 from cnoeabs.peaks (0.82, 3.07, 41.80 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.94: QG2 ILE 80 + HE2 LYS 86 OK 89 99 90 100 3.0-7.3 11243=99, 3.1/11878=66...(36) HG13 ILE 80 + HE2 LYS 86 OK 40 100 40 100 2.8-7.7 2.1/11220=77...(38) QG2 ILE 129 - HE2 LYS 86 far 0 100 0 - 7.2-10.8 QG1 VAL 133 - HE2 LYS 86 far 0 89 0 - 8.6-10.8 Violated in 1 structures by 0.02 A. Peak 11778 from cnoeabs.peaks (1.74, 3.89, 60.84 ppm; 5.25 A): 2 out of 3 assignments used, quality = 1.00: HB ILE 80 + HA LYS 86 OK 99 99 100 100 2.7-4.2 9729=99, 3.2/9727=91...(35) HG3 ARG 90 + HA LYS 86 OK 82 97 85 100 3.6-7.6 11303/11193=72...(28) HG13 ILE 129 - HA LYS 86 far 5 100 5 - 6.3-8.7 Violated in 0 structures by 0.00 A. Peak 11779 from cnoeabs.peaks (1.08, 3.89, 60.84 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.73: QG1 VAL 77 + HA LYS 86 OK 73 73 100 100 4.6-6.3 2.1/9818=100, ~9663=94...(28) Violated in 0 structures by 0.00 A. Peak 11780 from cnoeabs.peaks (1.66, 4.38, 55.75 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.87: HD2 LYS 86 + HA ASP 78 OK 72 100 85 85 2.7-8.0 11180/9695=47...(6) HD3 LYS 86 + HA ASP 78 OK 55 100 75 73 3.3-8.0 11337/11204=31...(6) Violated in 4 structures by 0.23 A. Peak 11790 from cnoeabs.peaks (7.55, 3.07, 41.80 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.20: H GLN 82 + HE2 LYS 86 OK 20 98 30 69 6.2-8.9 9742/11243=37...(5) H VAL 77 - HE2 LYS 86 far 5 100 5 - 6.0-11.0 Violated in 20 structures by 2.08 A. Peak 11791 from cnoeabs.peaks (7.48, 3.07, 41.80 ppm; 5.94 A): 0 out of 0 assignments used, quality = 0.00: Peak 11792 from cnoeabs.peaks (1.60, 0.60, 25.62 ppm; 4.79 A): 4 out of 7 assignments used, quality = 1.00: HG LEU 122 + QD1 LEU 100 OK 100 100 100 100 1.9-6.0 2.1/11388=39...(46) HG LEU 70 + QD1 LEU 100 OK 97 97 100 100 2.2-5.4 2.1/11115=96...(28) HB2 LEU 122 + QD1 LEU 100 OK 94 99 95 100 2.0-6.6 3.1/11388=36...(53) HB2 LEU 103 + QD1 LEU 100 OK 69 73 95 99 4.0-7.1 1.8/3267=31...(26) HG LEU 119 - QD1 LEU 100 far 4 83 5 - 6.3-10.4 HG LEU 49 - QD1 LEU 100 far 0 60 0 - 7.7-11.0 HG3 ARG 23 - QD1 LEU 100 far 0 73 0 - 9.5-25.5 Violated in 0 structures by 0.00 A. Peak 11793 from cnoeabs.peaks (1.59, 0.68, 23.19 ppm; 3.40 A): 6 out of 15 assignments used, quality = 0.95: HG LEU 123 + QD2 LEU 62 OK 49 81 65 94 1.8-6.6 2.1/10347=52...(31) HG LEU 122 + QD2 LEU 100 OK 44 54 85 96 2.0-5.8 ~11388=16, ~11492=15...(44) HB2 LEU 103 + QD2 LEU 100 OK 44 61 80 90 3.2-6.8 3370/3225=20...(26) HB2 LEU 122 + QD2 LEU 100 OK 41 48 90 95 3.2-6.0 1.8/3261=14, 3870/2.1=13...(47) HG LEU 122 + QD2 LEU 62 OK 31 90 85 40 1.9-5.5 ~10992=6, ~9395=5...(16) HG LEU 70 + QD2 LEU 100 OK 22 43 55 95 1.8-6.4 ~11115=35, ~9487=30...(27) HB2 LEU 122 - QD2 LEU 62 poor 12 83 35 42 4.3-7.0 4.3/11483=12, ~2012=5...(13) HG LEU 49 - QD2 LEU 62 far 9 90 10 - 4.2-7.0 HB2 LEU 103 - QD2 LEU 62 far 5 97 5 - 4.7-8.9 HG LEU 123 - QD2 LEU 100 far 0 47 0 - 5.2-10.8 HG LEU 70 - QD2 LEU 62 far 0 76 0 - 6.0-9.8 HG LEU 49 - QD2 LEU 100 far 0 54 0 - 6.8-11.5 HG13 ILE 37 - QD2 LEU 62 far 0 65 0 - 8.9-18.5 HG13 ILE 37 - QD2 LEU 100 far 0 36 0 - 9.2-17.4 HG2 ARG 23 - QD2 LEU 62 far 0 95 0 - 9.6-23.9 Violated in 0 structures by 0.00 A. Peak 11794 from cnoeabs.peaks (4.45, 1.39, 19.38 ppm; 5.22 A): 6 out of 40 assignments used, quality = 0.97: HA SER 106 + QB ALA 108 OK 66 83 80 100 3.6-7.1 11532=65, 7546/10101=63...(13) HA VAL 112 + QB ALA 109 OK 59 65 90 100 3.1-8.9 3.2/10135=78...(18) HA VAL 112 + QB ALA 110 OK 47 49 100 97 4.6-6.6 3.0/10136=41...(15) HA PRO 58 + QB ALA 109 OK 35 99 35 99 3.4-14.4 10925=93, 6709/9349=74...(6) HA SER 106 + QB ALA 109 OK 33 97 40 84 5.0-9.1 11465/4.6=43, 11532=31...(12) HA ASP 64 + QB ALA 108 OK 21 83 35 71 2.0-15.2 2.9/9409=36...(6) HA PRO 58 - QB ALA 110 poor 17 83 20 - 2.0-15.8 HA PRO 58 - QB ALA 108 far 13 86 15 - 6.0-15.2 HA SER 106 - QB ALA 28 far 10 68 15 - 6.0-23.5 HA ASP 64 - QB ALA 109 far 10 97 10 - 4.5-17.5 HA SER 106 - QB ALA 15 far 7 74 10 - 4.0-42.5 HA VAL 112 - QB ALA 15 far 7 45 15 - 2.9-43.1 HA SER 106 - QB ALA 110 poor 5 79 30 23 3.9-12.2 11532/4.7=19, 11461/7564=2 HA PRO 58 - QB ALA 16 far 4 44 10 - 4.1-33.4 HA ASP 64 - QB ALA 29 lone 4 63 50 12 1.9-10.8 9411/10739=8, 2.9/9409=3 HA PRO 58 - QB ALA 15 far 4 78 5 - 6.5-37.3 HA SER 106 - QB ALA 29 far 3 63 5 - 4.7-21.2 HA MET 11 - QB ALA 16 far 3 25 10 - 3.8-13.0 HA VAL 112 - QB ALA 16 far 2 24 10 - 3.5-40.7 HA MET 11 - QB ALA 15 far 2 47 5 - 6.2-12.4 HA MET 11 - QB ALA 28 far 2 42 5 - 3.9-26.0 HA SER 106 - QB ALA 16 far 2 42 5 - 5.2-39.2 HB THR 54 - QB ALA 16 far 2 38 5 - 5.3-36.2 HA THR 54 - QB ALA 16 far 1 26 5 - 6.6-36.4 HA ASP 64 - QB ALA 28 lone 1 68 30 4 4.0-16.1 9411/11541=2 HB THR 54 - QB ALA 15 far 0 68 0 - 7.1-37.4 HA VAL 112 - QB ALA 108 far 0 52 0 - 7.3-12.3 HA ASN 120 - QB ALA 110 far 0 55 0 - 7.4-18.3 HA PRO 58 - QB ALA 29 far 0 66 0 - 7.6-18.0 HA ASP 64 - QB ALA 110 far 0 79 0 - 7.8-18.8 HA PRO 58 - QB ALA 28 far 0 71 0 - 8.4-22.1 HA ASN 120 - QB ALA 109 far 0 73 0 - 8.5-16.8 HA ASP 64 - QB ALA 16 far 0 42 0 - 8.7-27.0 HA MET 11 - QB ALA 29 far 0 39 0 - 8.7-26.6 HA THR 54 - QB ALA 15 far 0 49 0 - 8.9-37.4 HA ASP 64 - QB ALA 15 far 0 74 0 - 9.0-30.0 HA ASN 120 - QB ALA 108 far 0 58 0 - 9.2-18.1 HB THR 54 - QB ALA 29 far 0 57 0 - 9.3-23.2 HA MET 11 - QB ALA 108 far 0 54 0 - 9.7-47.1 HA THR 54 - QB ALA 29 far 0 41 0 - 9.8-22.5 Violated in 0 structures by 0.00 A. Peak 11796 from cnoeabs.peaks (1.82, 3.52, 66.53 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: HB3 ARG 135 + HA VAL 132 OK 100 100 100 100 3.2-4.9 10639=99, 1.8/10638=87...(27) HB2 ARG 84 - HA VAL 132 far 0 97 0 - 7.0-11.4 HB2 LYS 86 - HA VAL 132 far 0 73 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 11797 from cnoeabs.peaks (1.90, 3.52, 66.53 ppm; 5.34 A): 1 out of 2 assignments used, quality = 1.00: HB2 ARG 135 + HA VAL 132 OK 100 100 100 100 1.9-5.1 10638=100, 1.8/11884=92...(27) HB3 ARG 84 - HA VAL 132 far 0 100 0 - 7.4-10.5 Violated in 0 structures by 0.00 A. Peak 11798 from cnoeabs.peaks (1.13, 2.19, 31.57 ppm; 4.64 A): 4 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + HB VAL 133 OK 100 100 100 100 3.4-5.9 4.4/7933=63, ~11764=58...(36) HG2 LYS 39 + HB VAL 133 OK 63 100 65 97 3.7-7.5 ~10567=47, ~11767=47...(16) QG1 VAL 132 + HB VAL 133 OK 60 100 60 100 5.5-6.8 4.2/7933=65, ~11764=58...(32) HG3 LYS 39 + HB VAL 133 OK 29 76 40 96 5.3-8.3 ~11767=47, ~11671=34...(15) Violated in 1 structures by 0.02 A. Peak 11799 from cnoeabs.peaks (1.14, 3.77, 65.08 ppm; 4.20 A): 3 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + HA VAL 133 OK 100 100 100 100 3.0-5.2 3.2/11750=46, ~7929=41...(40) QG1 VAL 132 + HA VAL 133 OK 99 99 100 100 4.1-5.4 3.2/11750=46...(39) HG2 LYS 39 + HA VAL 133 OK 35 100 40 89 4.7-8.8 ~10567=30, ~11767=28...(15) HG3 LYS 39 - HA VAL 133 far 0 87 0 - 6.3-10.3 Violated in 1 structures by 0.00 A. Peak 11800 from cnoeabs.peaks (7.41, 0.63, 27.44 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 89 + QD1 LEU 42 OK 98 98 100 100 2.0-4.9 11891/2.1=81...(20) Violated in 1 structures by 0.02 A. Peak 11801 from cnoeabs.peaks (7.42, 0.56, 24.08 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.89: QE PHE 89 + QD2 LEU 42 OK 89 89 100 100 1.9-4.2 2.2/9107=82...(21) Violated in 0 structures by 0.00 A. Peak 11802 from cnoeabs.peaks (8.15, 0.56, 24.08 ppm; 5.69 A): 1 out of 3 assignments used, quality = 1.00: H VAL 133 + QD2 LEU 42 OK 100 100 100 100 3.9-6.3 7935/10587=98...(20) H ASP 71 - QD2 LEU 42 far 10 97 10 - 6.9-9.2 H GLU 91 - QD2 LEU 42 far 0 78 0 - 8.4-12.1 Violated in 1 structures by 0.03 A. Peak 11803 from cnoeabs.peaks (6.81, 3.48, 59.85 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + HA LEU 42 OK 100 100 100 100 2.7-5.9 2.2/9113=100...(17) HE21 GLN 127 - HA LEU 42 lone 1 93 25 4 6.9-14.8 11081/9072=2 Violated in 0 structures by 0.00 A. Peak 11804 from cnoeabs.peaks (3.84, 0.70, 25.73 ppm; 4.50 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 40 + QD1 LEU 43 OK 100 100 100 100 1.8-4.0 9055=96, 9055/2.1=74...(31) HB2 SER 130 + QD1 LEU 43 OK 20 81 25 100 5.3-6.8 11720/2.1=63, ~10509=62...(21) HD2 PRO 81 - QD1 LEU 43 far 0 98 0 - 6.5-10.9 HB2 SER 50 - QD1 LEU 43 far 0 100 0 - 7.9-11.3 Violated in 0 structures by 0.00 A. Peak 11805 from cnoeabs.peaks (3.85, 0.75, 22.33 ppm; 3.62 A): 2 out of 5 assignments used, quality = 0.93: HA GLU 40 + QD2 LEU 43 OK 83 99 85 99 3.4-5.7 9055/2.1=55, 9055=51...(31) HB2 SER 130 + QD2 LEU 43 OK 62 63 100 98 3.1-4.8 1.8/10509=63...(21) HD2 PRO 81 - QD2 LEU 43 far 0 100 0 - 5.4-11.1 HB2 SER 50 - QD2 LEU 43 far 0 96 0 - 5.8-10.1 HA LEU 123 - QD2 LEU 43 far 0 100 0 - 8.6-12.5 Violated in 7 structures by 0.10 A. Peak 11806 from cnoeabs.peaks (1.14, 0.70, 25.73 ppm; 3.97 A): 2 out of 5 assignments used, quality = 1.00: HG2 LYS 39 + QD1 LEU 43 OK 98 100 100 98 2.1-4.6 4.0/9119=36, 4.0/9120=29...(37) HG3 LYS 39 + QD1 LEU 43 OK 85 87 100 98 2.1-4.2 4.0/9119=36...(35) QG2 VAL 132 - QD1 LEU 43 far 0 100 0 - 5.8-8.0 QG1 VAL 132 - QD1 LEU 43 far 0 99 0 - 6.9-8.7 HG12 ILE 32 - QD1 LEU 43 far 0 73 0 - 9.4-18.7 Violated in 0 structures by 0.00 A. Peak 11807 from cnoeabs.peaks (1.02, 0.70, 25.73 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.73: QG2 VAL 133 + QD1 LEU 43 OK 73 73 100 100 2.0-4.1 2.1/11677=90...(33) QD1 LEU 69 - QD1 LEU 43 far 0 99 0 - 6.1-10.0 Violated in 0 structures by 0.00 A. Peak 11809 from cnoeabs.peaks (1.51, 0.91, 26.02 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.44: HB2 LEU 53 + QD1 LEU 62 OK 44 98 45 100 3.3-9.6 ~10338=47, ~10038=44...(22) HB2 LEU 49 - QD1 LEU 62 poor 18 92 20 - 4.5-8.5 HG LEU 69 - QD1 LEU 62 far 0 100 0 - 7.6-11.4 Violated in 17 structures by 1.88 A. Peak 11810 from cnoeabs.peaks (7.91, 0.78, 21.57 ppm; 5.00 A): 2 out of 5 assignments used, quality = 0.94: H GLN 104 + QG1 VAL 63 OK 87 87 100 100 3.3-4.9 3.0/10979=66...(30) H SER 106 + QG1 VAL 63 OK 53 90 65 90 3.8-7.9 11469=32, 2.9/11535=22...(18) HD22 ASN 116 - QG1 VAL 63 poor 20 100 20 - 6.0-14.8 H VAL 112 - QG1 VAL 63 far 12 83 15 - 5.8-13.7 H THR 115 - QG1 VAL 63 far 0 97 0 - 8.4-14.4 Violated in 0 structures by 0.00 A. Peak 11811 from cnoeabs.peaks (7.90, 0.91, 22.96 ppm; 4.49 A): 4 out of 6 assignments used, quality = 1.00: H GLN 104 + QG2 VAL 63 OK 99 99 100 100 2.9-5.0 7495/11521=67...(21) H SER 106 + QG2 VAL 63 OK 32 100 35 91 3.1-7.3 4.0/11854=30...(18) H GLU 128 + QD1 LEU 49 OK 22 46 70 68 4.8-6.6 3.2/2033=21...(9) HD22 ASN 116 + QG2 VAL 63 OK 21 93 70 32 3.5-13.1 11416/11822=10...(7) H THR 115 - QG2 VAL 63 far 5 100 5 - 6.0-11.9 HD22 ASN 116 - QD1 LEU 49 far 0 50 0 - 8.4-16.9 Violated in 0 structures by 0.00 A. Peak 11812 from cnoeabs.peaks (8.31, 3.97, 66.53 ppm; 5.73 A): 2 out of 7 assignments used, quality = 0.99: H LEU 69 + HA THR 65 OK 97 97 100 100 3.6-4.5 6893/2064=70...(16) H LEU 49 + HA THR 65 OK 79 99 80 100 5.1-8.2 11703/3.2=90, ~9200=44...(20) H ALA 28 - HA THR 65 far 4 87 5 - 7.1-18.0 H TYR 72 - HA THR 65 far 0 95 0 - 8.3-9.3 H ALA 21 - HA THR 65 far 0 100 0 - 8.5-26.7 H VAL 126 - HA THR 65 far 0 87 0 - 9.3-12.7 H GLU 44 - HA THR 65 far 0 73 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 11813 from cnoeabs.peaks (4.13, 1.23, 22.77 ppm; 4.01 A): 3 out of 7 assignments used, quality = 0.93: HA LEU 49 + QG2 THR 65 OK 78 78 100 100 2.0-4.7 2.9/11703=56, 9200=47...(25) HA CYS 45 + QG2 THR 65 OK 54 99 55 99 3.8-6.4 9155=73, 9153/9443=48...(17) HA LEU 48 + QG2 THR 65 OK 29 83 35 99 3.9-7.5 3.0/10991=50...(17) HA ALA 52 - QG2 THR 65 far 0 100 0 - 5.6-8.6 HA ILE 32 - QG2 THR 65 far 0 83 0 - 7.9-14.8 HA GLN 101 - QG2 THR 65 far 0 68 0 - 8.9-12.2 HA3 GLY 114 - QG2 THR 65 far 0 100 0 - 9.2-15.3 Violated in 1 structures by 0.01 A. Peak 11814 from cnoeabs.peaks (1.13, 4.55, 60.48 ppm; 4.85 A): 0 out of 4 assignments used, quality = 0.00: HG12 ILE 32 - HA TYR 72 far 3 60 5 - 5.7-15.2 HG2 LYS 39 - HA TYR 72 far 0 100 0 - 6.4-13.3 HG3 LYS 39 - HA TYR 72 far 0 76 0 - 7.7-13.1 QG2 VAL 132 - HA TYR 72 far 0 100 0 - 9.6-12.5 Violated in 20 structures by 3.31 A. Peak 11815 from cnoeabs.peaks (0.94, 4.55, 60.48 ppm; 4.85 A): 1 out of 7 assignments used, quality = 0.90: QG2 ILE 37 + HA TYR 72 OK 90 100 90 100 2.4-6.7 9022/3.4=81, 9010/3.0=80...(27) QG2 VAL 126 - HA TYR 72 far 0 65 0 - 7.2-11.3 QG1 VAL 126 - HA TYR 72 far 0 83 0 - 7.5-11.4 QD1 LEU 48 - HA TYR 72 far 0 95 0 - 9.5-13.9 QD1 LEU 49 - HA TYR 72 far 0 73 0 - 9.8-12.1 QG1 VAL 20 - HA TYR 72 far 0 60 0 - 9.8-25.6 QD2 LEU 48 - HA TYR 72 far 0 63 0 - 9.9-14.2 Violated in 7 structures by 0.38 A. Peak 11816 from cnoeabs.peaks (7.32, 2.75, 27.55 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.92: HZ PHE 89 + HB2 CYS 73 OK 92 92 100 100 2.1-5.6 9538/3.0=99...(18) Violated in 0 structures by 0.00 A. Peak 11817 from cnoeabs.peaks (4.30, 1.84, 27.19 ppm; 6.53 A): 2 out of 6 assignments used, quality = 1.00: HA TYR 76 + HB2 CYS 79 OK 99 99 100 100 2.6-4.8 4.7/9706=80...(11) HA2 GLY 75 + HB2 CYS 79 OK 46 96 90 54 6.5-8.7 11162/7064=19...(4) HA THR 18 - HB2 CYS 79 far 5 93 5 - 6.5-39.2 HA ALA 12 - HB2 CYS 79 far 4 81 5 - 6.6-42.8 HA SER 74 - HB2 CYS 79 far 0 92 0 - 9.3-11.3 HA ALA 16 - HB2 CYS 79 far 0 57 0 - 9.5-41.5 Violated in 0 structures by 0.00 A. Peak 11818 from cnoeabs.peaks (4.30, 2.61, 27.19 ppm; 6.35 A): 2 out of 7 assignments used, quality = 0.98: HA TYR 76 + HB3 CYS 79 OK 97 98 100 99 3.0-5.4 11162/7065=62...(10) HA2 GLY 75 + HB3 CYS 79 OK 24 92 50 53 6.4-9.6 11817/1.8=26...(3) HA THR 18 - HB3 CYS 79 far 5 97 5 - 7.0-40.2 HA ALA 12 - HB3 CYS 79 far 4 87 5 - 5.2-44.3 HA ALA 16 - HB3 CYS 79 far 0 65 0 - 8.1-41.7 HA LYS 36 - HB3 CYS 79 far 0 63 0 - 9.0-17.4 HA SER 74 - HB3 CYS 79 far 0 96 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 11819 from cnoeabs.peaks (2.10, 4.20, 54.89 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 91 + HA ALA 88 OK 100 100 100 100 2.3-4.1 1.8/11913=83, 9915=83...(17) HB2 GLU 128 - HA ALA 88 far 7 73 10 - 6.0-9.7 Violated in 0 structures by 0.00 A. Peak 11820 from cnoeabs.peaks (2.21, 4.20, 54.89 ppm; 5.85 A): 1 out of 4 assignments used, quality = 0.93: HG2 GLU 91 + HA ALA 88 OK 93 93 100 100 4.1-5.3 1.8/11912=100...(16) HB3 GLU 128 - HA ALA 88 far 5 96 5 - 6.8-10.9 HB3 LEU 96 - HA ALA 88 far 0 76 0 - 9.5-13.1 HB VAL 133 - HA ALA 88 far 0 76 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 11821 from cnoeabs.peaks (0.76, 1.43, 18.02 ppm; 3.95 A): 4 out of 8 assignments used, quality = 1.00: HG12 ILE 129 + QB ALA 92 OK 99 99 100 100 1.6-2.9 2.1/10491=87...(27) QG1 VAL 93 + QB ALA 92 OK 99 99 100 100 3.2-5.2 2.1/9945=72, 9974=54...(31) QD2 LEU 96 + QB ALA 92 OK 89 99 95 95 2.6-5.5 11691/9951=29...(28) QD1 LEU 96 + QB ALA 92 OK 62 92 75 91 3.3-5.9 3.2/11315=17...(31) QD2 LEU 43 - QB ALA 92 far 0 100 0 - 7.5-8.6 QD1 ILE 32 - QB ALA 92 far 0 83 0 - 8.9-14.9 QD1 ILE 37 - QB ALA 92 far 0 78 0 - 9.0-12.1 QD2 LEU 103 - QB ALA 92 far 0 90 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 11822 from cnoeabs.peaks (0.87, 0.29, 23.10 ppm; 4.58 A): 2 out of 7 assignments used, quality = 0.81: QD2 LEU 70 + QG2 VAL 93 OK 71 89 80 100 3.4-6.5 9485=80, 2.1/11407=78...(28) QD2 LEU 69 + QG2 VAL 93 OK 34 100 35 98 3.4-7.9 11043=56, 2.1/9968=42...(17) QD2 LEU 98 - QG2 VAL 93 far 5 100 5 - 5.7-7.8 QD1 LEU 98 - QG2 VAL 93 far 0 97 0 - 7.0-9.5 QG2 ILE 32 - QG2 VAL 93 far 0 85 0 - 7.7-13.0 QD2 LEU 123 - QG2 VAL 93 far 0 97 0 - 8.2-10.7 QG1 VAL 118 - QG2 VAL 93 far 0 68 0 - 8.6-10.1 Violated in 14 structures by 0.38 A. Peak 11823 from cnoeabs.peaks (0.86, 2.23, 41.04 ppm; 5.32 A): 3 out of 6 assignments used, quality = 1.00: QD2 LEU 70 + HB3 LEU 96 OK 100 100 100 100 2.1-5.5 11916/1.8=61, 9496=55...(45) QD2 LEU 69 + HB3 LEU 96 OK 61 95 65 99 5.2-8.3 11040/3.2=52, ~11805=51...(15) QD2 LEU 98 + HB3 LEU 96 OK 44 83 70 76 4.2-7.1 11355/3.8=34...(19) QD2 LEU 123 - HB3 LEU 96 poor 16 63 25 - 5.5-9.3 QD1 LEU 98 - HB3 LEU 96 far 10 99 10 - 6.3-8.6 QG1 VAL 133 - HB3 LEU 96 far 0 83 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 11824 from cnoeabs.peaks (0.85, 1.38, 41.04 ppm; 4.70 A): 3 out of 12 assignments used, quality = 0.99: QD2 LEU 70 + HB2 LEU 96 OK 95 100 95 100 2.3-6.2 9496/1.8=54...(51) QD2 LEU 70 + HB3 LEU 100 OK 82 86 95 100 2.7-6.5 11115/3.2=82, ~9487=42...(44) QD2 LEU 69 + HB2 LEU 96 OK 35 90 40 96 4.5-7.8 11040/3.2=45, ~11805=38...(14) QD2 LEU 98 - HB2 LEU 96 poor 18 76 35 70 4.7-7.5 11355/3.8=28...(21) QD2 LEU 98 - HB3 LEU 100 poor 18 59 30 - 4.9-7.6 QD2 LEU 69 - HB3 LEU 100 far 7 73 10 - 5.2-9.8 QD1 LEU 98 - HB3 LEU 100 far 4 82 5 - 6.1-9.1 QD1 LEU 98 - HB2 LEU 96 far 0 98 0 - 6.9-8.8 QG1 VAL 133 - HB2 LEU 96 far 0 89 0 - 8.5-10.1 QG2 VAL 57 - HB3 LEU 100 far 0 82 0 - 8.9-11.4 QG2 ILE 32 - HB3 LEU 100 far 0 87 0 - 9.2-15.6 QG2 ILE 32 - HB2 LEU 96 far 0 100 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 11825 from cnoeabs.peaks (0.84, 1.40, 27.00 ppm; 4.34 A): 3 out of 8 assignments used, quality = 0.98: QD1 LEU 70 + HG LEU 96 OK 87 87 100 100 1.6-4.5 2.1/11106=35...(45) QD2 LEU 70 + HG LEU 96 OK 78 83 95 99 1.7-5.9 11916/3.0=40...(39) QG2 ILE 129 + HG LEU 96 OK 22 92 25 98 5.3-7.4 3.0/11826=32...(35) QD1 LEU 122 - HG LEU 96 poor 18 57 35 90 2.7-8.1 2.1/10337=22, ~10337=14...(34) QD1 LEU 98 - HG LEU 96 far 0 68 0 - 6.5-8.6 QG2 ILE 32 - HG LEU 96 far 0 87 0 - 8.5-14.8 QG1 VAL 133 - HG LEU 96 far 0 100 0 - 8.7-10.7 QG2 ILE 80 - HG LEU 96 far 0 76 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 11826 from cnoeabs.peaks (0.62, 1.40, 27.00 ppm; 4.59 A): 2 out of 3 assignments used, quality = 0.89: QD1 ILE 129 + HG LEU 96 OK 73 73 100 99 2.7-4.7 11354/3.0=32...(42) QD1 LEU 100 + HG LEU 96 OK 58 92 65 98 3.4-7.4 11115/11917=28...(41) QD1 LEU 42 - HG LEU 96 far 0 89 0 - 7.3-11.0 Violated in 0 structures by 0.00 A. Peak 11827 from cnoeabs.peaks (3.20, 1.40, 27.00 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: HB3 CYS 125 + HG LEU 96 OK 100 100 100 100 3.3-6.1 9987/2.1=91, 9989/2.1=82...(31) Violated in 9 structures by 0.15 A. Peak 11828 from cnoeabs.peaks (2.76, 0.79, 26.05 ppm; 4.88 A): 1 out of 9 assignments used, quality = 0.52: HB2 CYS 125 + QD2 LEU 122 OK 52 65 80 99 3.0-7.4 3.0/9259=48...(24) HB2 CYS 73 - QD2 LEU 122 far 9 92 10 - 6.2-11.3 HB2 ASP 64 - QD1 LEU 53 far 0 86 0 - 6.4-13.5 HB2 CYS 125 - QD1 LEU 53 far 0 56 0 - 6.6-9.4 HB2 ASP 64 - QD2 LEU 122 far 0 96 0 - 6.8-10.5 HB2 ASP 131 - QD1 LEU 53 far 0 89 0 - 7.5-12.7 HB2 CYS 73 - QD1 LEU 53 far 0 82 0 - 9.4-12.7 HB2 ASP 131 - QD2 LEU 122 far 0 98 0 - 9.6-14.2 HB2 TYR 76 - QD2 LEU 122 far 0 100 0 - 9.9-15.5 Violated in 10 structures by 0.72 A. Peak 11829 from cnoeabs.peaks (1.36, 0.95, 21.50 ppm; 4.50 A): 0 out of 11 assignments used, quality = 0.00: QB ALA 21 - QG1 VAL 57 far 9 92 10 - 3.7-23.4 QB ALA 29 - QG1 VAL 57 far 7 73 10 - 3.3-15.9 QB ALA 15 - QG1 VAL 57 far 7 68 10 - 4.0-28.6 QB ALA 28 - QG1 VAL 57 far 7 65 10 - 4.4-19.4 HG2 LYS 19 - QG1 VAL 57 far 5 99 5 - 3.5-30.6 QB ALA 110 - QG1 VAL 57 far 3 68 5 - 5.9-16.4 QB ALA 12 - QG1 VAL 57 far 0 100 0 - 6.0-28.4 HG3 LYS 26 - QG1 VAL 57 far 0 71 0 - 7.8-23.9 HG2 LYS 24 - QG1 VAL 57 far 0 76 0 - 7.8-23.4 QB ALA 108 - QG1 VAL 57 far 0 63 0 - 8.0-14.8 QB ALA 46 - QG1 VAL 57 far 0 92 0 - 9.6-11.9 Violated in 16 structures by 2.32 A. Peak 11830 from cnoeabs.peaks (6.81, 2.23, 33.86 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + HG2 GLN 68 OK 100 100 100 100 3.7-5.1 2.2/9481=59, 9549/1.8=54...(18) HE21 GLN 127 - HG2 GLN 68 far 0 97 0 - 7.7-17.8 Violated in 8 structures by 0.15 A. Peak 11832 from cnoeabs.peaks (1.65, 4.29, 61.54 ppm; 4.85 A): 4 out of 22 assignments used, quality = 0.97: HD3 LYS 24 + HA THR 25 OK 73 100 75 98 3.3-8.1 3.5/11128=40, ~6234=33...(26) HD2 LYS 24 + HA THR 25 OK 59 99 60 98 2.7-7.9 3.5/11128=40, ~6234=33...(26) HD2 LYS 26 + HA THR 25 OK 58 100 60 96 3.7-8.6 5.7/582=54, 3.5/11128=33...(22) HD3 LYS 26 + HA THR 25 OK 43 100 45 97 4.5-8.0 5.7/582=54, 3.5/11128=33...(22) HD2 LYS 31 - HA THR 25 poor 20 99 20 - 4.3-15.2 HD3 LYS 31 - HA THR 25 far 15 100 15 - 4.3-14.5 HD2 LYS 36 - HA THR 25 far 9 92 10 - 4.6-21.6 HD3 LYS 36 - HA THR 25 far 9 92 10 - 5.9-22.2 HB2 LEU 98 - HA THR 25 far 5 100 5 - 6.0-30.6 HD2 LYS 19 - HA THR 25 far 5 99 5 - 4.9-18.6 HD3 LYS 19 - HA THR 25 far 5 99 5 - 5.3-20.4 HG3 ARG 23 - HA THR 25 far 0 60 0 - 6.4-10.0 HD3 LYS 31 - HA SER 74 far 0 97 0 - 7.2-24.8 HD3 LYS 86 - HA SER 74 far 0 97 0 - 8.1-13.0 HD2 LYS 31 - HA SER 74 far 0 96 0 - 8.3-23.9 HD2 LYS 95 - HA THR 25 far 0 100 0 - 8.4-31.3 HD3 LYS 95 - HA THR 25 far 0 100 0 - 8.5-30.6 HB2 LEU 69 - HA SER 74 far 0 89 0 - 9.0-11.4 HD2 LYS 86 - HA SER 74 far 0 97 0 - 9.1-12.5 HD2 LYS 95 - HA SER 74 far 0 98 0 - 9.6-12.5 HD3 LYS 95 - HA SER 74 far 0 97 0 - 9.6-11.9 QB ALA 88 - HA SER 74 far 0 96 0 - 9.9-10.9 Violated in 1 structures by 0.02 A. Peak 11844 from cnoeabs.peaks (0.87, 3.17, 43.40 ppm; 4.11 A): 2 out of 17 assignments used, quality = 0.37: QG2 VAL 20 + HD2 ARG 23 OK 20 63 60 54 1.9-9.9 ~10713=22, 10727/4.9=8...(13) QG2 VAL 20 + HD3 ARG 23 OK 20 63 60 54 2.1-9.0 ~10713=22, 10727/4.9=8...(13) QD2 LEU 22 - HD3 ARG 23 poor 12 58 20 - 3.9-8.5 QD2 LEU 22 - HD2 ARG 23 poor 12 58 20 - 3.9-8.1 QD1 LEU 22 - HD3 ARG 23 poor 11 56 20 - 2.4-9.4 QD1 LEU 22 - HD2 ARG 23 poor 11 56 20 - 4.0-9.1 QG2 ILE 32 - HD3 ARG 23 far 8 85 10 - 3.2-19.2 QG2 ILE 32 - HD2 ARG 23 far 4 85 5 - 4.1-19.2 QG2 VAL 57 - HD2 ARG 23 far 0 92 0 - 7.9-25.8 QD1 LEU 98 - HD3 ARG 23 far 0 92 0 - 8.2-33.3 QD1 LEU 98 - HD2 ARG 23 far 0 92 0 - 8.3-31.9 QD2 LEU 98 - HD3 ARG 90 far 0 98 0 - 9.1-13.8 QG2 VAL 57 - HD3 ARG 23 far 0 92 0 - 9.1-25.9 QD2 LEU 98 - HD2 ARG 23 far 0 89 0 - 9.1-29.5 QD2 LEU 70 - HD3 ARG 90 far 0 97 0 - 9.3-14.1 QD1 LEU 98 - HD3 ARG 90 far 0 100 0 - 9.5-15.0 QD2 LEU 98 - HD3 ARG 23 far 0 89 0 - 9.5-31.0 Violated in 11 structures by 1.05 A. Peak 11845 from cnoeabs.peaks (1.17, 2.02, 28.15 ppm; 3.91 A): 4 out of 15 assignments used, quality = 1.00: QB ALA 41 + HB2 GLU 44 OK 96 96 100 100 3.8-4.3 2.1/1401=69, 10857=69...(22) QG2 VAL 77 + HG2 ARG 90 OK 96 96 100 100 2.7-4.4 9662=87, 2.1/9652=67...(28) QB ALA 41 + HB3 GLU 40 OK 63 79 80 99 3.7-5.5 ~6470=37, 10932=34...(20) HG3 LYS 39 + HB3 GLU 40 OK 54 70 100 77 3.1-5.1 9056/3.0=21, 9059/3.0=19...(12) HG12 ILE 32 - HB2 GLU 44 far 9 94 10 - 3.5-17.9 QG2 THR 25 - HB2 GLU 44 far 8 79 10 - 2.3-24.4 QG2 THR 18 - HG2 PRO 58 far 6 61 10 - 3.7-31.6 QG2 THR 25 - HB3 GLU 40 far 3 62 5 - 5.0-25.9 HB3 LEU 62 - HG2 PRO 58 far 0 36 0 - 5.5-8.9 HG3 LYS 39 - HB2 GLU 44 far 0 88 0 - 6.9-10.4 QG2 THR 25 - HG2 PRO 58 far 0 47 0 - 7.1-25.7 HG12 ILE 32 - HB3 GLU 40 far 0 76 0 - 7.2-21.5 QG2 THR 18 - HB2 GLU 44 far 0 96 0 - 8.4-31.7 HG12 ILE 32 - HG2 PRO 58 far 0 59 0 - 9.1-25.0 QG2 THR 18 - HB3 GLU 40 far 0 79 0 - 9.6-35.3 Violated in 0 structures by 0.00 A. Peak 11846 from cnoeabs.peaks (1.05, 2.02, 28.15 ppm; 5.18 A): 2 out of 4 assignments used, quality = 0.97: QG1 VAL 77 + HG2 ARG 90 OK 97 97 100 100 4.2-5.4 2.1/9662=93, 9652=93...(26) QG2 VAL 133 + HB3 GLU 40 OK 22 75 65 46 5.7-8.9 10563/4.0=21...(7) QG2 VAL 133 - HB2 GLU 44 far 0 92 0 - 6.9-9.7 QG2 VAL 133 - HG2 ARG 90 far 0 98 0 - 9.0-12.6 Violated in 1 structures by 0.00 A. Peak 11849 from cnoeabs.peaks (0.76, 2.42, 35.12 ppm; 3.99 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 96 + HG3 GLU 97 OK 94 99 95 99 1.8-5.7 11809/3.8=47...(29) QG1 VAL 93 + HG3 GLU 97 OK 93 99 95 99 2.3-7.0 9972=62, 9973/1.8=36...(20) QD1 LEU 96 + HG3 GLU 97 OK 85 90 95 99 1.8-6.2 11451/3.8=41...(33) QG1 VAL 63 - HG3 GLU 97 far 0 65 0 - 7.1-11.9 QD1 ILE 32 - HG3 GLU 97 far 0 81 0 - 7.5-15.8 QD2 LEU 103 - HG3 GLU 97 far 0 92 0 - 7.6-11.5 QD1 LEU 103 - HG3 GLU 97 far 0 68 0 - 7.7-12.8 QD1 ILE 37 - HG3 GLU 97 far 0 76 0 - 8.0-14.4 HG12 ILE 129 - HG3 GLU 97 far 0 99 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 11850 from cnoeabs.peaks (0.74, 2.27, 35.12 ppm; 4.51 A): 2 out of 6 assignments used, quality = 0.99: QG1 VAL 93 + HG2 GLU 97 OK 91 96 95 100 2.9-6.5 9972/1.8=80...(21) QD2 LEU 96 + HG2 GLU 97 OK 87 97 90 100 1.9-6.2 11809/3.8=56...(34) QG1 VAL 93 - HG2 GLU 30 far 3 63 5 - 3.9-20.6 QD2 LEU 96 - HG2 GLU 30 far 0 65 0 - 7.6-18.1 QD2 LEU 103 - HG2 GLU 97 far 0 100 0 - 8.1-11.1 HG12 ILE 129 - HG2 GLU 97 far 0 96 0 - 8.4-10.9 Violated in 4 structures by 0.02 A. Peak 11851 from cnoeabs.peaks (0.74, 2.14, 28.66 ppm; 5.23 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 96 + HB2 GLU 97 OK 97 97 100 100 1.9-5.2 11809/3.0=81, 11695=68...(38) QG1 VAL 93 + HB2 GLU 97 OK 91 96 95 100 3.0-7.1 9972/2.9=80...(20) QD2 LEU 103 - HB2 GLU 97 far 0 100 0 - 8.4-10.8 HG12 ILE 129 - HB2 GLU 97 far 0 96 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 11852 from cnoeabs.peaks (0.74, 3.76, 59.92 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.99: QD2 LEU 96 + HA GLU 97 OK 97 97 100 100 2.4-5.9 11809=91, 2.1/11451=85...(40) QG1 VAL 93 + HA GLU 97 OK 76 96 80 99 4.4-8.1 9972/3.8=56...(20) QD2 LEU 103 - HA GLU 97 far 0 100 0 - 6.2-8.6 HG12 ILE 129 - HA GLU 97 far 0 96 0 - 9.5-10.8 Violated in 6 structures by 0.08 A. Peak 11853 from cnoeabs.peaks (0.91, 3.96, 63.62 ppm; 4.32 A): 1 out of 25 assignments used, quality = 0.23: QG1 VAL 118 + HB3 SER 107 OK 23 95 30 80 3.7-12.1 2.1/11473=42, ~10272=31...(13) QG2 VAL 63 - HB3 SER 107 poor 20 100 20 - 3.2-8.8 QG2 VAL 63 - HB2 SER 106 poor 19 76 25 - 2.9-9.7 QG2 VAL 63 - HB3 SER 106 poor 14 46 30 - 3.3-9.7 QD1 LEU 62 - HB3 SER 107 far 5 100 5 - 5.7-11.9 QD1 LEU 22 - HB3 SER 107 far 4 87 5 - 4.0-32.1 QD1 LEU 62 - HB2 SER 106 far 4 76 5 - 4.4-14.3 QG1 VAL 20 - HB2 SER 106 far 4 75 5 - 4.5-38.8 QD1 LEU 119 - HB3 SER 107 far 3 60 5 - 2.4-15.2 QG2 VAL 20 - HB2 SER 106 far 3 55 5 - 4.3-36.2 QD1 LEU 62 - HB3 SER 106 far 2 46 5 - 4.8-13.7 QG1 VAL 20 - HB3 SER 106 far 2 45 5 - 3.8-38.8 QD1 LEU 22 - HB3 SER 106 far 2 35 5 - 5.7-36.2 QG2 VAL 20 - HB3 SER 106 far 2 31 5 - 3.9-36.2 QD1 LEU 119 - HB2 SER 106 far 0 39 0 - 6.0-15.8 QD1 LEU 22 - HB2 SER 106 far 0 60 0 - 6.6-36.1 QG1 VAL 118 - HB2 SER 106 far 0 68 0 - 6.7-11.5 QG2 VAL 112 - HB2 SER 106 far 0 70 0 - 6.9-14.3 QG2 VAL 112 - HB3 SER 106 far 0 41 0 - 7.2-13.4 QD1 LEU 119 - HB3 SER 106 far 0 22 0 - 7.3-15.9 QG1 VAL 118 - HB3 SER 106 far 0 40 0 - 7.3-11.7 QG2 VAL 112 - HB3 SER 107 far 0 97 0 - 7.6-16.2 QD2 LEU 123 - HB3 SER 107 far 0 63 0 - 8.0-15.8 QG2 VAL 20 - HB3 SER 107 far 0 81 0 - 8.1-32.8 QG1 VAL 20 - HB3 SER 107 far 0 100 0 - 8.3-35.3 Violated in 16 structures by 4.16 A. Peak 11854 from cnoeabs.peaks (0.91, 3.98, 63.90 ppm; 4.41 A): 0 out of 22 assignments used, quality = 0.00: QG2 VAL 63 - HB3 SER 106 poor 18 100 30 59 3.3-9.7 2.1/10096=23, ~11535=13...(10) QG2 VAL 63 - HB3 SER 107 poor 16 46 35 - 3.2-8.8 QG2 VAL 63 - HB2 SER 106 poor 14 87 25 64 2.9-9.7 ~10096=16, ~11535=13...(11) QG1 VAL 118 - HB3 SER 107 poor 13 42 30 - 3.7-12.1 QG1 VAL 20 - HB3 SER 106 far 5 100 5 - 3.8-38.8 QD1 LEU 62 - HB3 SER 106 far 5 100 5 - 4.8-13.7 QD1 LEU 22 - HB3 SER 106 far 5 92 5 - 5.7-36.2 QD1 LEU 62 - HB3 SER 107 far 5 45 10 - 5.7-11.9 QG2 VAL 20 - HB3 SER 106 far 4 87 5 - 3.9-36.2 QG1 VAL 20 - HB2 SER 106 far 4 87 5 - 4.5-38.8 QD1 LEU 62 - HB2 SER 106 far 4 86 5 - 4.4-14.3 QG2 VAL 20 - HB2 SER 106 far 3 70 5 - 4.3-36.2 QD1 LEU 22 - HB3 SER 107 far 2 38 5 - 4.0-32.1 QD1 LEU 22 - HB2 SER 106 far 0 75 0 - 6.6-36.1 QG1 VAL 118 - HB2 SER 106 far 0 82 0 - 6.7-11.5 QG2 VAL 112 - HB2 SER 106 far 0 76 0 - 6.9-14.3 QG2 VAL 112 - HB3 SER 106 far 0 93 0 - 7.2-13.4 QG1 VAL 118 - HB3 SER 106 far 0 97 0 - 7.3-11.7 QG2 VAL 112 - HB3 SER 107 far 0 39 0 - 7.6-16.2 QD2 LEU 123 - HB3 SER 107 far 0 26 0 - 8.0-15.8 QG2 VAL 20 - HB3 SER 107 far 0 35 0 - 8.1-32.8 QG1 VAL 20 - HB3 SER 107 far 0 46 0 - 8.3-35.3 Violated in 11 structures by 0.69 A. Peak 11861 from cnoeabs.peaks (7.25, 3.20, 43.15 ppm; 3.54 A): 4 out of 8 assignments used, quality = 1.00: HE ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.3-2.9 2.9=100 HE ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-2.9 2.9=100 H ASN 85 + HD3 ARG 84 OK 55 83 100 66 2.7-4.6 3.6/2579=20, 4.7/2571=16...(11) H ASN 85 + HD2 ARG 84 OK 52 83 95 66 1.9-5.1 3.6/2579=20, 4.7/2580=16...(11) HD21 ASN 85 - HD2 ARG 84 far 5 100 5 - 3.3-9.5 HD21 ASN 85 - HD3 ARG 84 far 5 100 5 - 4.6-8.5 QE PHE 87 - HD3 ARG 84 far 0 78 0 - 5.2-11.5 QE PHE 87 - HD2 ARG 84 far 0 78 0 - 6.1-11.7 Violated in 0 structures by 0.00 A. Peak 11862 from cnoeabs.peaks (7.25, 1.64, 26.79 ppm; 5.05 A): 6 out of 11 assignments used, quality = 1.00: HE ARG 84 + HG2 ARG 84 OK 99 99 100 100 2.1-4.0 3.6=100 HE ARG 84 + HG3 ARG 84 OK 99 99 100 100 2.3-3.6 3.6=100 H ASN 85 + HG3 ARG 84 OK 69 73 100 95 1.8-4.7 3.7/7094=38, 3.6/2561=31...(18) H ASN 85 + HG2 ARG 84 OK 69 73 100 94 1.7-4.9 3.7/7094=38, 3.6/2561=31...(18) HD21 ASN 85 + HG3 ARG 84 OK 68 100 75 91 3.7-9.3 11279/3.0=23...(21) HD21 ASN 85 + HG2 ARG 84 OK 45 100 50 91 4.5-9.6 11279/3.0=23...(21) HD2 HIS 10 - HG3 ARG 23 far 3 60 5 - 5.4-23.3 HD2 HIS 10 - HG LEU 22 far 0 42 0 - 6.6-25.5 QE PHE 87 - HG3 ARG 84 far 0 68 0 - 7.1-11.0 QE PHE 87 - HG2 ARG 84 far 0 68 0 - 7.3-10.3 HD21 ASN 85 - HG LEU 43 far 0 86 0 - 8.8-15.2 Violated in 0 structures by 0.00 A. Peak 11863 from cnoeabs.peaks (7.25, 1.90, 29.31 ppm; 4.84 A): 3 out of 4 assignments used, quality = 1.00: HE ARG 84 + HB3 ARG 84 OK 99 99 100 100 2.6-5.2 5.1=88, 11859/3.0=62...(18) H ASN 85 + HB3 ARG 84 OK 73 73 100 100 2.3-4.0 4.7=100 HD21 ASN 85 + HB3 ARG 84 OK 41 100 45 91 3.4-8.5 11279=31, 4.5/11320=26...(18) QE PHE 87 - HB3 ARG 84 far 3 68 5 - 5.3-10.1 Violated in 0 structures by 0.00 A. Peak 11878 from cnoeabs.peaks (7.19, 3.17, 43.21 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: HE ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 * HE ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 11885 from cnoeabs.peaks (7.27, 3.23, 44.19 ppm; 4.88 A): 2 out of 3 assignments used, quality = 0.70: H ASN 85 + HD3 ARG 135 OK 46 100 60 77 4.1-8.6 5.3/9816=36...(9) HD21 ASN 85 + HD3 ARG 135 OK 45 87 55 94 2.8-8.7 1.7/9816=60, 9800/3.0=48...(10) HE ARG 84 - HD3 ARG 135 lone 1 96 30 4 4.2-10.7 5.5/2532=2 Violated in 9 structures by 0.80 A. Peak 11887 from cnoeabs.peaks (2.25, 2.00, 27.30 ppm; 3.30 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 81 + HG2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 132 - HG2 PRO 81 far 11 71 15 - 3.9-8.1 HB3 PRO 113 - HG3 PRO 56 far 3 54 5 - 4.2-15.8 HB3 PRO 113 - HG2 PRO 56 far 0 54 0 - 5.1-16.1 HG2 GLN 61 - HG2 PRO 56 far 0 41 0 - 8.3-11.4 HG2 GLN 61 - HG3 PRO 56 far 0 41 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 11888 from cnoeabs.peaks (2.25, 1.95, 32.59 ppm; 2.83 A): 1 out of 15 assignments used, quality = 1.00: * HB2 PRO 81 + HB3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 91 - HB2 LYS 95 poor 8 40 20 - 4.0-9.1 HB3 LEU 96 - HB2 LYS 95 far 0 57 0 - 4.4-6.6 HB3 LEU 96 - HB3 LYS 95 far 0 62 0 - 4.9-7.5 HG2 GLU 91 - HB3 LYS 95 far 0 44 0 - 5.6-9.9 HG2 GLU 97 - HB2 LYS 95 far 0 62 0 - 5.8-9.2 HB VAL 132 - HB3 PRO 81 far 0 71 0 - 5.9-9.9 HG2 GLU 97 - HB3 LYS 95 far 0 68 0 - 6.1-9.2 HB3 GLU 128 - HB2 LYS 95 far 0 36 0 - 6.7-8.8 HB2 PRO 81 - HB3 LYS 86 far 0 90 0 - 6.7-10.7 HB VAL 132 - HB3 LYS 86 far 0 58 0 - 7.0-9.8 HB3 GLU 128 - HB3 LYS 95 far 0 40 0 - 7.7-10.0 HG2 GLU 91 - HB3 LYS 86 far 0 51 0 - 7.8-12.6 HB3 GLN 127 - HB2 LYS 95 far 0 38 0 - 9.7-12.8 HB3 GLU 102 - HB3 LYS 95 far 0 48 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 11889 from cnoeabs.peaks (2.25, 2.25, 32.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 81 + HB2 PRO 81 OK 100 100 - 100 Peak 11890 from cnoeabs.peaks (1.95, 2.25, 32.59 ppm; 2.92 A): 1 out of 3 assignments used, quality = 0.99: HB3 PRO 81 + HB2 PRO 81 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 86 - HB2 PRO 81 far 0 100 0 - 6.7-10.7 HB ILE 37 - HB2 PRO 81 far 0 92 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 11891 from cnoeabs.peaks (2.01, 2.25, 32.59 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.97: HG2 PRO 81 + HB2 PRO 81 OK 97 97 100 100 2.3-3.0 2.3=100 HG3 ARG 135 - HB2 PRO 81 far 0 73 0 - 5.9-9.9 HB2 GLN 134 - HB2 PRO 81 far 0 96 0 - 7.1-12.1 HB3 GLU 40 - HB2 PRO 81 far 0 65 0 - 8.3-16.7 HB3 MET 11 - HB2 PRO 81 far 0 93 0 - 9.9-49.2 Violated in 0 structures by 0.00 A. Peak 11892 from cnoeabs.peaks (1.94, 1.95, 32.59 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 PRO 81 + HB3 PRO 81 OK 99 99 - 100 HB3 LYS 95 + HB3 LYS 95 OK 81 81 - 100 HB3 LYS 86 + HB3 LYS 86 OK 76 76 - 100 HB2 LYS 95 + HB2 LYS 95 OK 75 75 - 100 Peak 11893 from cnoeabs.peaks (1.99, 1.95, 32.59 ppm; 4.35 A): 2 out of 13 assignments used, quality = 1.00: HG2 PRO 81 + HB3 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 ARG 90 + HB3 LYS 86 OK 26 51 55 94 3.5-8.2 1.8/2826=35...(21) HG2 PRO 81 - HB3 LYS 86 far 9 89 10 - 4.7-9.7 HB2 GLU 91 - HB2 LYS 95 far 0 76 0 - 6.3-8.3 HB2 GLU 91 - HB3 LYS 95 far 0 81 0 - 6.6-9.2 HB ILE 129 - HB2 LYS 95 far 0 72 0 - 7.6-10.1 HB2 GLN 134 - HB3 PRO 81 far 0 68 0 - 7.7-13.0 HB3 PRO 117 - HB3 LYS 95 far 0 71 0 - 7.7-12.9 HB2 GLU 91 - HB3 LYS 86 far 0 90 0 - 7.8-9.8 HG2 ARG 90 - HB2 LYS 95 far 0 40 0 - 8.3-12.5 HB ILE 129 - HB3 LYS 95 far 0 78 0 - 8.6-11.2 HB3 PRO 117 - HB2 LYS 95 far 0 65 0 - 9.2-14.4 HG2 ARG 90 - HB3 PRO 81 far 0 63 0 - 10.0-15.1 Violated in 0 structures by 0.00 A. Peak 11894 from cnoeabs.peaks (0.83, 1.95, 32.59 ppm; 5.41 A): 5 out of 18 assignments used, quality = 1.00: HG13 ILE 80 + HB3 PRO 81 OK 95 100 95 100 5.3-7.0 ~11248=50, ~11178=50...(34) QG2 ILE 80 + HB3 PRO 81 OK 94 94 100 100 4.0-6.4 ~11265=60, ~11784=57...(45) HG13 ILE 80 + HB3 LYS 86 OK 89 89 100 100 1.9-6.7 2.1/9721=72, ~9822=69...(51) QG2 ILE 80 + HB3 LYS 86 OK 81 81 100 100 1.7-6.0 9753/4.0=75, 3.1/9721=64...(53) QG1 VAL 133 + HB3 PRO 81 OK 38 97 40 98 5.9-9.1 ~11757=60, 10574/2.3=34...(15) QD1 LEU 122 - HB3 LYS 95 poor 12 60 20 - 6.1-9.7 QD1 LEU 70 - HB3 LYS 95 far 8 78 10 - 6.6-9.9 QD1 LEU 70 - HB2 LYS 95 far 7 72 10 - 6.4-9.7 QD1 LEU 122 - HB2 LYS 95 far 6 56 10 - 5.7-9.8 QG1 VAL 133 - HB3 LYS 86 far 4 85 5 - 6.5-9.7 QG2 ILE 129 - HB3 LYS 86 far 0 89 0 - 7.1-8.9 QG2 ILE 129 - HB2 LYS 95 far 0 74 0 - 7.2-9.0 QG2 ILE 129 - HB3 PRO 81 far 0 100 0 - 7.7-10.9 QG2 ILE 129 - HB3 LYS 95 far 0 80 0 - 8.4-10.1 QD2 LEU 119 - HB3 LYS 95 far 0 48 0 - 8.4-14.0 QD2 LEU 49 - HB2 LYS 95 far 0 36 0 - 9.3-12.2 QD2 LEU 49 - HB3 LYS 95 far 0 40 0 - 9.8-12.1 QD2 LEU 119 - HB2 LYS 95 far 0 44 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 11895 from cnoeabs.peaks (0.82, 2.25, 32.59 ppm; 5.96 A): 3 out of 4 assignments used, quality = 1.00: HG13 ILE 80 + HB2 PRO 81 OK 100 100 100 100 5.3-7.1 ~11248=60, ~11178=59...(34) QG2 ILE 80 + HB2 PRO 81 OK 98 98 100 100 4.0-6.1 ~11784=68, ~11168=64...(40) QG1 VAL 133 + HB2 PRO 81 OK 77 93 85 98 5.7-8.6 ~11757=70, 10574/2.3=33...(10) QG2 ILE 129 - HB2 PRO 81 far 0 100 0 - 7.7-10.5 Violated in 0 structures by 0.00 A. Peak 11896 from cnoeabs.peaks (3.84, 2.25, 32.59 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.93: HD2 PRO 81 + HB2 PRO 81 OK 93 93 100 100 3.0-4.0 3.0=100 HA GLU 40 - HB2 PRO 81 far 0 100 0 - 7.7-15.1 Violated in 0 structures by 0.00 A. Peak 11897 from cnoeabs.peaks (3.86, 1.95, 32.59 ppm; 4.22 A): 2 out of 10 assignments used, quality = 0.99: HD2 PRO 81 + HB3 PRO 81 OK 99 99 100 100 3.9-4.0 3.0=100 HA LYS 86 + HB3 LYS 86 OK 48 48 100 100 2.2-3.0 3.0=100 HD2 PRO 81 - HB3 LYS 86 poor 17 87 20 - 4.1-8.5 HA LYS 86 - HB3 PRO 81 far 0 60 0 - 6.2-8.9 HA LEU 123 - HB2 LYS 95 far 0 69 0 - 8.4-11.2 HA LEU 123 - HB3 LYS 95 far 0 75 0 - 8.5-11.3 HA LEU 70 - HB2 LYS 95 far 0 50 0 - 8.6-10.3 HA GLU 40 - HB3 PRO 81 far 0 89 0 - 9.0-16.3 HA LEU 70 - HB3 LYS 95 far 0 54 0 - 9.2-11.1 HD2 PRO 117 - HB3 LYS 95 far 0 81 0 - 9.7-15.2 Violated in 0 structures by 0.00 A. Peak 11898 from cnoeabs.peaks (4.04, 1.95, 32.59 ppm; 4.60 A): 8 out of 16 assignments used, quality = 1.00: HD3 PRO 81 + HB3 PRO 81 OK 100 100 100 100 3.0-4.0 3.0=100 HA LEU 96 + HB3 LYS 95 OK 76 79 100 96 3.9-5.7 2.9/7317=34, ~7316=24...(36) HA ALA 92 + HB3 LYS 95 OK 73 73 100 100 3.8-5.2 ~9948=52, 2894/4.0=50...(18) HA LEU 96 + HB2 LYS 95 OK 71 74 100 96 4.0-4.9 2.9/7317=34, ~7317=24...(35) HA ALA 92 + HB2 LYS 95 OK 68 68 100 100 2.5-4.4 2.1/9948=62, 2894/4.0=50...(22) HA LYS 95 + HB3 LYS 95 OK 68 68 100 100 2.2-2.8 3.0=100 HA LYS 95 + HB2 LYS 95 OK 62 62 100 100 2.5-3.0 3.0=100 HA LEU 122 + HB3 LYS 95 OK 24 71 80 43 3.8-7.2 7310/4.6=12...(12) HA LEU 122 - HB2 LYS 95 poor 16 65 60 42 4.6-7.1 7310/4.6=12...(11) HA ARG 135 - HB3 PRO 81 poor 8 87 25 39 4.6-10.8 ~4336=8, ~7977=7...(11) HD3 PRO 81 - HB3 LYS 86 far 4 90 5 - 5.7-9.1 HB3 SER 124 - HB2 LYS 95 far 0 74 0 - 6.5-9.1 HB3 SER 124 - HB3 LYS 95 far 0 79 0 - 6.8-9.5 HA LEU 119 - HB3 LYS 95 far 0 76 0 - 7.5-13.2 HB2 SER 38 - HB3 PRO 81 far 0 80 0 - 8.1-16.8 HA LEU 119 - HB2 LYS 95 far 0 70 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 11899 from cnoeabs.peaks (4.04, 2.25, 32.59 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: HD3 PRO 81 + HB2 PRO 81 OK 100 100 100 100 3.0-3.9 3.0=100 HA ARG 135 - HB2 PRO 81 far 13 87 15 - 5.1-10.5 HB2 SER 38 - HB2 PRO 81 far 0 81 0 - 7.6-15.1 Violated in 0 structures by 0.00 A. Peak 11900 from cnoeabs.peaks (4.17, 2.25, 32.59 ppm; 5.66 A): 0 out of 1 assignment used, quality = 0.00: HB THR 83 - HB2 PRO 81 far 0 100 0 - 8.7-10.5 Violated in 20 structures by 4.36 A. Peak 11901 from cnoeabs.peaks (4.33, 2.25, 32.59 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: HA PRO 81 + HB2 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HA GLN 134 - HB2 PRO 81 far 0 85 0 - 5.2-10.0 HA TYR 76 - HB2 PRO 81 far 0 78 0 - 9.1-11.4 HA ASP 131 - HB2 PRO 81 far 0 68 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 11902 from cnoeabs.peaks (4.33, 1.95, 32.59 ppm; 3.31 A): 1 out of 10 assignments used, quality = 1.00: HA PRO 81 + HB3 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HA CYS 125 - HB2 LYS 95 poor 16 54 30 - 4.4-6.0 HA CYS 125 - HB3 LYS 95 far 0 58 0 - 5.1-6.7 HA PRO 81 - HB3 LYS 86 far 0 89 0 - 5.8-9.6 HA GLN 134 - HB3 PRO 81 far 0 85 0 - 5.8-10.9 HA LYS 24 - HB3 LYS 95 far 0 81 0 - 7.7-32.1 HA LYS 24 - HB2 LYS 95 far 0 76 0 - 8.3-31.9 HA TYR 76 - HB3 PRO 81 far 0 78 0 - 9.4-12.2 HA TYR 76 - HB3 LYS 86 far 0 65 0 - 9.6-11.4 HA ASP 131 - HB3 PRO 81 far 0 68 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 11904 from cnoeabs.peaks (7.55, 2.25, 32.59 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: H GLN 82 + HB2 PRO 81 OK 100 100 100 100 1.9-4.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 11905 from cnoeabs.peaks (7.60, 2.25, 32.59 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 11906 from cnoeabs.peaks (7.56, 1.95, 32.59 ppm; 4.27 A): 1 out of 8 assignments used, quality = 1.00: H GLN 82 + HB3 PRO 81 OK 100 100 100 100 1.6-3.4 4.1=100 H GLN 82 - HB3 LYS 86 far 13 90 15 - 4.7-8.8 H LEU 119 - HB3 LYS 95 far 0 72 0 - 7.6-13.2 H ASP 78 - HB3 LYS 86 far 0 55 0 - 7.6-9.1 H VAL 77 - HB3 LYS 86 far 0 81 0 - 7.9-9.5 H LEU 119 - HB2 LYS 95 far 0 67 0 - 9.3-14.0 HE22 GLN 27 - HB2 LYS 95 far 0 54 0 - 9.4-30.1 HE22 GLN 27 - HB3 LYS 95 far 0 58 0 - 9.6-31.1 Violated in 0 structures by 0.00 A. Peak 11907 from cnoeabs.peaks (1.93, 4.33, 64.74 ppm; 3.58 A): 1 out of 5 assignments used, quality = 0.92: * HB3 PRO 81 + HA PRO 81 OK 92 92 100 100 2.3-2.7 2.3=100 HB3 LYS 86 - HA PRO 81 far 0 71 0 - 5.8-9.6 HB2 ARG 135 - HA PRO 81 far 0 63 0 - 6.4-11.2 HB3 ARG 84 - HA PRO 81 far 0 68 0 - 7.7-11.1 HB2 MET 11 - HA PRO 81 far 0 99 0 - 7.9-50.4 Violated in 0 structures by 0.00 A. Peak 11908 from cnoeabs.peaks (4.34, 4.34, 64.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 81 + HA PRO 81 OK 100 100 - 100 Peak 11909 from cnoeabs.peaks (0.82, 4.34, 64.74 ppm; 5.15 A): 2 out of 4 assignments used, quality = 1.00: HG13 ILE 80 + HA PRO 81 OK 100 100 100 100 4.5-5.7 11280=48, 2.1/9736=42...(28) QG2 ILE 80 + HA PRO 81 OK 96 96 100 100 3.7-5.7 ~11265=49, 9714/2.3=47...(31) QG1 VAL 133 - HA PRO 81 far 0 97 0 - 6.7-9.0 QG2 ILE 129 - HA PRO 81 far 0 100 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 11910 from cnoeabs.peaks (2.00, 4.33, 64.74 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: HG2 PRO 81 + HA PRO 81 OK 100 100 100 100 3.9-4.0 3.8=100 HB3 MET 11 - HA PRO 81 far 0 78 0 - 8.1-49.2 HB2 GLN 134 - HA PRO 81 far 0 83 0 - 9.2-13.7 Violated in 3 structures by 0.01 A. Peak 11911 from cnoeabs.peaks (2.05, 4.33, 64.74 ppm; 4.31 A): 1 out of 5 assignments used, quality = 0.99: HG3 PRO 81 + HA PRO 81 OK 99 99 100 100 3.9-4.0 3.8=100 HG3 ARG 135 - HA PRO 81 far 0 92 0 - 8.0-11.2 HB3 MET 11 - HA PRO 81 far 0 72 0 - 8.1-49.2 QE MET 11 - HA PRO 81 far 0 99 0 - 8.2-41.0 HB2 GLN 134 - HA PRO 81 far 0 67 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. Peak 11912 from cnoeabs.peaks (4.05, 4.34, 64.74 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.92: HD3 PRO 81 + HA PRO 81 OK 92 92 100 100 3.6-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 11913 from cnoeabs.peaks (7.55, 4.34, 64.74 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: H GLN 82 + HA PRO 81 OK 100 100 100 100 2.8-3.6 3.6=100 H VAL 77 - HA PRO 81 far 0 98 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 11914 from cnoeabs.peaks (7.54, 2.00, 27.30 ppm; 4.38 A): 1 out of 6 assignments used, quality = 0.94: H GLN 82 + HG2 PRO 81 OK 94 97 100 98 1.7-4.2 11886=60, 3.6/11262=46...(8) HE22 GLN 61 - HG2 PRO 56 far 0 60 0 - 8.2-10.7 H THR 54 - HG2 PRO 56 far 0 70 0 - 8.8-9.4 H THR 54 - HG3 PRO 56 far 0 70 0 - 8.8-9.8 H VAL 77 - HG2 PRO 81 far 0 100 0 - 9.2-11.7 HE22 GLN 61 - HG3 PRO 56 far 0 60 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 11915 from cnoeabs.peaks (2.25, 4.33, 64.74 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.99: HB2 PRO 81 + HA PRO 81 OK 99 99 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 11916 from cnoeabs.peaks (1.78, 1.01, 22.19 ppm; 4.28 A): 3 out of 5 assignments used, quality = 0.99: HB3 LEU 103 + QG2 VAL 118 OK 92 97 95 100 2.1-8.9 3.2/10265=44, ~10069=41...(39) HB3 LEU 122 + QG2 VAL 118 OK 80 96 85 98 3.0-6.7 ~390=27, ~390=21...(30) HG LEU 100 + QG2 VAL 118 OK 50 100 50 99 5.0-10.6 3.0/10264=70, ~10262=44...(19) HB3 LEU 98 - QG2 VAL 118 far 5 100 5 - 3.5-7.4 HB2 ARG 23 - QG2 VAL 118 far 0 65 0 - 7.1-29.5 Violated in 1 structures by 0.08 A. Peak 11922 from cnoeabs.peaks (3.95, 0.78, 24.12 ppm; 6.80 A): 10 out of 21 assignments used, quality = 1.00: HA LEU 100 + QD1 LEU 103 OK 97 97 100 100 3.0-5.3 3228/7476=80...(35) HD3 PRO 117 + QD1 LEU 103 OK 92 100 95 96 3.2-11.6 3670/10232=52...(15) HB2 SER 106 + QD1 LEU 103 OK 69 90 80 95 3.8-10.0 3.0/11535=56...(12) HB3 SER 107 + QD1 LEU 103 OK 63 97 65 99 2.8-10.5 11473/10069=71, 10106=43...(20) HA LEU 100 + QD1 LEU 96 OK 60 63 95 100 4.4-8.3 11497/11504=65, ~3090=36...(35) HB3 SER 106 + QD1 LEU 103 OK 47 63 80 94 3.6-10.4 3.0/11535=56...(15) HB3 SER 94 + QD1 LEU 96 OK 44 47 100 95 5.9-7.7 1.8/11437=39, ~11434=29...(13) HB2 SER 107 + QD1 LEU 103 OK 41 63 70 92 2.5-10.7 1.8/10106=44...(15) HA GLN 127 + QD1 LEU 96 OK 31 52 85 70 5.7-8.7 4.8/11452=48...(7) HD3 PRO 113 + QD1 LEU 103 OK 23 95 50 49 3.3-10.8 11575/10195=43...(3) HB3 SER 107 - QD1 LEU 96 poor 13 64 20 - 6.4-16.2 HA GLU 91 - QD1 LEU 96 poor 11 33 95 36 7.4-9.2 7297/9980=9...(9) HB2 SER 107 - QD1 LEU 96 far 5 36 15 - 7.4-16.3 HA3 GLY 111 - QD1 LEU 103 lone 4 100 45 8 3.2-10.7 10679/11541=4 HA2 GLY 111 - QD1 LEU 103 lone 3 85 60 5 1.9-10.3 10117/11541=1 HA THR 65 - QD1 LEU 96 far 3 50 5 - 8.1-9.5 HA3 GLY 17 - QD1 LEU 103 far 0 97 0 - 8.4-35.4 HA THR 65 - QD1 LEU 103 far 0 83 0 - 8.6-12.3 HB2 SER 106 - QD1 LEU 96 far 0 57 0 - 9.0-15.3 HA2 GLY 17 - QD1 LEU 103 far 0 97 0 - 9.3-36.8 HB3 SER 106 - QD1 LEU 96 far 0 36 0 - 9.3-15.2 Violated in 0 structures by 0.00 A. Peak 11923 from cnoeabs.peaks (3.95, 0.74, 25.24 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: HA LEU 100 + QD2 LEU 103 OK 92 92 100 100 2.2-4.4 3228/7477=71...(32) HD3 PRO 117 + QD2 LEU 103 OK 91 99 95 97 4.6-11.9 4.8/11831=77...(11) HB3 SER 107 + QD2 LEU 103 OK 47 93 55 92 3.9-10.0 11473/11826=44...(12) HB2 SER 107 + QD2 LEU 103 OK 32 73 50 87 4.6-10.5 ~10106=44, ~10106=34...(14) HB2 SER 106 + QD2 LEU 103 OK 31 83 45 84 4.8-10.0 ~11535=48, ~10096=28...(8) HA THR 65 - QD2 LEU 103 poor 18 73 25 - 7.7-10.9 HD3 PRO 113 - QD2 LEU 103 poor 14 98 30 48 5.4-11.8 11561/11825=28...(4) HA2 GLY 111 - QD2 LEU 103 lone 3 92 40 9 3.8-11.8 10117/11825=5 HA3 GLY 111 - QD2 LEU 103 lone 1 100 25 4 5.3-12.4 Violated in 0 structures by 0.00 A. Peak 11925 from cnoeabs.peaks (2.05, 0.81, 25.23 ppm; 6.80 A): 5 out of 17 assignments used, quality = 1.00: HB VAL 118 + QD1 LEU 122 OK 99 99 100 100 3.5-6.7 11594/11092=67...(47) HB2 LEU 62 + QD1 LEU 122 OK 83 99 95 89 4.4-9.0 9395/2.1=24...(31) HB2 GLN 127 + QD1 LEU 122 OK 60 99 90 68 5.9-9.7 4.0/3892=31...(11) HB VAL 63 + QD1 LEU 122 OK 30 65 80 58 4.3-9.3 ~10972=27, ~2016=13...(8) HB VAL 118 + QD1 LEU 70 OK 24 58 85 48 7.0-11.5 11494/9487=33...(5) HG2 PRO 117 - QD1 LEU 122 poor 19 100 40 47 6.8-10.8 10325/11092=16...(12) HB VAL 63 - QD1 LEU 70 poor 18 33 55 - 7.0-10.7 HG3 PRO 117 - QD1 LEU 122 poor 14 100 35 40 7.0-10.7 10325/11092=16...(12) HB2 GLN 127 - QD1 LEU 70 poor 12 58 20 - 7.0-12.4 HB3 GLN 27 - QD1 LEU 122 far 10 96 10 - 6.3-18.5 HB3 GLN 27 - QD1 LEU 70 far 8 55 15 - 5.4-20.0 HG3 PRO 113 - QD1 LEU 122 far 5 96 5 - 7.2-15.3 HB2 LEU 62 - QD1 LEU 70 far 3 58 5 - 7.9-12.3 HB3 GLU 30 - QD1 LEU 70 far 1 30 5 - 7.9-17.7 HG3 PRO 58 - QD1 LEU 122 far 0 76 0 - 8.6-13.0 QE MET 11 - QD1 LEU 70 far 0 58 0 - 9.1-32.2 HG2 PRO 117 - QD1 LEU 70 far 0 60 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 11926 from cnoeabs.peaks (0.68, 1.60, 27.00 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: QD2 LEU 100 + HG LEU 122 OK 100 100 100 100 2.0-5.8 ~10337=43, ~3903=41...(51) QD2 LEU 100 + HG LEU 70 OK 97 97 100 100 1.8-6.4 ~11115=98, ~9487=77...(27) QD2 LEU 62 + HG LEU 122 OK 90 100 100 90 1.9-5.5 ~9395=20, 11483/7745=17...(28) QD2 LEU 62 + HG LEU 119 OK 66 69 95 100 3.7-8.4 ~10992=51, ~10951=46...(34) QD2 LEU 100 - HG LEU 119 poor 15 69 85 25 4.4-9.1 1999/10258=10...(5) QD2 LEU 62 - HG LEU 70 lone 13 97 75 18 6.0-9.8 3254/3887=6...(5) Violated in 0 structures by 0.00 A. Peak 11927 from cnoeabs.peaks (3.46, 1.13, 22.77 ppm; 6.80 A): 6 out of 8 assignments used, quality = 1.00: HA ILE 129 + QG1 VAL 132 OK 100 100 100 100 1.9-4.6 4213/2.1=100...(41) HA VAL 77 + QG1 VAL 132 OK 59 97 65 94 6.8-9.0 9667/10546=49...(12) HA ILE 129 + QG2 VAL 132 OK 53 53 100 100 1.7-2.8 4213/2.1=100...(45) HA VAL 77 + QG2 VAL 132 OK 43 48 95 94 5.3-8.5 9667/10546=39...(18) HA VAL 126 + QG1 VAL 132 OK 35 71 65 77 6.8-9.4 9952/11658=27...(10) HA VAL 126 + QG2 VAL 132 OK 25 31 100 80 6.2-7.4 10402/10490=46...(11) HA LEU 42 - QG2 VAL 132 far 4 42 10 - 7.9-10.2 HA LEU 42 - QG1 VAL 132 far 0 89 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 11928 from cnoeabs.peaks (3.45, 1.14, 23.15 ppm; 6.80 A): 5 out of 8 assignments used, quality = 1.00: HA ILE 129 + QG2 VAL 132 OK 97 97 100 100 1.7-2.8 4213/2.1=97...(45) HA VAL 77 + QG2 VAL 132 OK 90 100 95 95 5.3-8.5 9725/11738=46...(19) HA VAL 126 + QG2 VAL 132 OK 82 87 100 94 6.2-7.4 10402/11737=77...(11) HA ILE 129 + QG1 VAL 132 OK 49 49 100 100 1.9-4.6 4213/2.1=97...(42) HA VAL 77 + QG1 VAL 132 OK 29 53 65 84 6.8-9.0 9667/10546=27...(12) HA VAL 126 - QG1 VAL 132 poor 19 41 65 71 6.8-9.4 10402/10490=31...(10) HA LEU 42 - QG2 VAL 132 far 7 73 10 - 7.9-10.2 HA LEU 42 - QG1 VAL 132 far 0 33 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 11929 from cnoeabs.peaks (8.07, 3.77, 65.08 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.82: HD22 ASN 85 + HA VAL 133 OK 82 92 100 89 2.0-7.5 9804/3.0=29, ~10583=19...(15) H CYS 79 - HA VAL 133 poor 18 73 25 - 7.1-10.0 H TYR 76 - HA VAL 133 far 0 73 0 - 8.3-11.0 Violated in 2 structures by 0.07 A. Peak 11930 from cnoeabs.peaks (8.05, 2.19, 31.57 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.99: H SER 130 + HB VAL 133 OK 95 95 100 100 5.9-7.1 2.9/4174=97...(21) H TYR 76 + HB VAL 133 OK 64 100 65 99 6.6-9.6 9609/9088=73...(12) H CYS 79 + HB VAL 133 OK 56 100 75 75 6.9-9.1 9678/11199=26...(11) Violated in 0 structures by 0.00 A. Peak 11931 from cnoeabs.peaks (1.15, 0.27, 13.24 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 80 OK 99 99 100 100 2.8-6.0 2.1/9722=100...(46) QG1 VAL 132 + QD1 ILE 80 OK 90 90 100 100 3.5-8.1 2.1/9722=100...(43) HG2 LYS 39 + QD1 ILE 80 OK 45 96 55 86 5.8-11.1 10850/9746=48...(14) HG3 LYS 39 - QD1 ILE 80 far 15 97 15 - 7.0-10.8 QB ALA 41 - QD1 ILE 80 far 7 73 10 - 8.0-11.5 QG2 THR 18 - QD1 ILE 80 far 4 71 5 - 6.8-29.7 Violated in 0 structures by 0.00 A. Peak 11932 from cnoeabs.peaks (1.15, 0.81, 17.22 ppm; 6.80 A): 6 out of 12 assignments used, quality = 1.00: QG2 VAL 132 + QG2 ILE 80 OK 99 99 100 100 2.9-6.9 ~9722=82, 11738/3.1=48...(42) QG1 VAL 132 + QG2 ILE 80 OK 90 90 100 100 4.7-7.1 ~9722=82, 10535/11237=55...(44) QG2 VAL 132 + QG2 ILE 129 OK 66 66 100 100 2.1-3.4 11737/3.0=98...(54) QG1 VAL 132 + QG2 ILE 129 OK 57 57 100 100 3.5-5.1 ~11737=87, ~10477=86...(48) HG2 LYS 39 + QG2 ILE 80 OK 37 96 75 51 5.6-9.8 10850/9739=17...(10) HG2 LYS 39 + QG2 ILE 129 OK 25 62 65 63 6.9-9.5 10939/10486=22...(12) HG3 LYS 39 - QG2 ILE 80 poor 19 97 45 43 7.0-11.1 ~11956=12, ~11931=12...(9) HG3 LYS 39 - QG2 ILE 129 poor 16 64 25 - 7.5-9.5 QB ALA 41 - QG2 ILE 129 poor 10 44 55 40 7.3-9.1 10872/9083=31...(4) QG2 THR 18 - QG2 ILE 80 far 4 71 5 - 7.8-29.3 QB ALA 41 - QG2 ILE 80 far 0 73 0 - 8.6-13.3 QG2 THR 18 - QG2 ILE 129 far 0 42 0 - 9.1-27.4 Violated in 0 structures by 0.00 A. Peak 11933 from cnoeabs.peaks (1.16, 1.74, 38.49 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.95: QG2 VAL 77 + HB ILE 80 OK 85 85 100 100 2.7-5.3 9818/9729=89...(43) QG2 VAL 132 + HB ILE 80 OK 70 73 95 100 4.3-9.0 ~9722=81, ~11656=38...(24) HG2 LYS 39 - HB ILE 80 far 6 63 10 - 7.3-12.0 QG2 THR 18 - HB ILE 80 far 0 98 0 - 8.5-36.1 HG3 LYS 39 - HB ILE 80 far 0 99 0 - 8.7-13.0 Violated in 0 structures by 0.00 A. Peak 11935 from cnoeabs.peaks (3.11, 4.64, 55.07 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: HB2 HIS 4 + HA HIS 4 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 HIS 7 + HA HIS 7 OK 88 88 100 100 2.4-3.0 3.0=100 HB2 HIS 7 + HA HIS 6 OK 77 98 100 78 4.1-6.4 3.9/6030=48, 72=17...(10) HB2 HIS 8 + HA HIS 7 OK 49 49 100 100 3.9-6.0 4.0/6036=99...(8) HB2 HIS 4 - HA HIS 6 lone 11 99 95 12 5.4-9.0 1.8/38=7, 4.0/16=2 HB2 HIS 7 - HA HIS 4 far 10 99 10 - 7.8-12.8 HB2 HIS 8 - HA HIS 6 poor 7 58 55 21 5.4-9.7 6031/3.6=15, ~87=4, 1.8/11936=1 HB2 HIS 4 - HA HIS 7 far 0 91 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 11936 from cnoeabs.peaks (3.23, 4.64, 55.07 ppm; 6.80 A): 3 out of 10 assignments used, quality = 1.00: HB3 HIS 4 + HA HIS 4 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 8 + HA HIS 7 OK 71 72 100 99 4.4-6.0 4.0/6036=99, ~87=21...(10) HB2 HIS 5 + HA HIS 4 OK 36 100 100 36 4.0-6.3 35/3.0=14, ~52=12, ~52=12 HB3 HIS 4 - HA HIS 6 lone 12 99 80 15 5.6-8.7 38=8, 1.8/11935=3, 4.0/16=2 HD3 ARG 135 - HA HIS 4 far 5 100 5 - 6.5-74.6 HB2 HIS 5 - HA HIS 6 lone 3 99 100 3 4.2-6.0 HB3 HIS 8 - HA HIS 6 lone 3 83 45 8 5.5-9.5 ~87=4, 1.8/11935=2 HB3 HIS 10 - HA HIS 7 far 3 56 5 - 8.1-12.9 HB2 HIS 5 - HA HIS 7 lone 2 90 80 3 5.7-8.7 HB3 HIS 4 - HA HIS 7 far 0 90 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 11937 from cnoeabs.peaks (2.04, 2.04, 16.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QE MET 11 + QE MET 11 OK 100 100 - 100 Peak 11938 from cnoeabs.peaks (2.52, 2.04, 16.73 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: HG3 MET 11 + QE MET 11 OK 100 100 100 100 2.2-3.4 3.3=100 HG3 GLU 102 - QE MET 11 far 5 100 5 - 7.8-45.4 HB2 ASP 78 - QE MET 11 far 0 98 0 - 8.6-39.1 Violated in 0 structures by 0.00 A. Peak 11939 from cnoeabs.peaks (4.42, 2.04, 16.73 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: HA MET 11 + QE MET 11 OK 100 100 100 100 2.0-5.3 5.1=100 HA HIS 5 - QE MET 11 far 10 97 10 - 7.4-20.3 HA SER 9 - QE MET 11 lone 1 65 45 3 4.0-9.6 HA VAL 112 - QE MET 11 far 0 100 0 - 8.9-47.0 Violated in 0 structures by 0.00 A. Peak 11942 from cnoeabs.peaks (1.79, 0.89, 21.05 ppm; 6.80 A): 1 out of 11 assignments used, quality = 0.78: HB3 LYS 19 + QG2 VAL 20 OK 78 78 100 100 4.6-6.7 4.6/354=93, ~10712=92...(22) HB2 LYS 36 - QG2 VAL 20 poor 16 65 25 - 4.6-23.7 HB ILE 32 - QG2 VAL 20 far 9 63 15 - 6.2-17.8 HB3 LYS 24 - QG2 VAL 20 lone 8 73 60 17 4.4-9.6 4.1/10733=9, 269/354=2...(5) HB3 LEU 98 - QG2 VAL 20 far 5 100 5 - 7.9-33.2 HB2 LEU 48 - QG2 VAL 20 far 5 98 5 - 3.2-24.3 HB3 LYS 26 - QG2 VAL 20 lone 1 60 40 3 3.7-14.4 HB3 LYS 31 - QG2 VAL 20 lone 1 78 30 3 3.4-18.3 HG LEU 100 - QG2 VAL 20 far 0 95 0 - 9.0-26.7 HB2 LYS 39 - QG2 VAL 20 far 0 60 0 - 9.1-29.1 HB3 LEU 103 - QG2 VAL 20 far 0 100 0 - 9.6-30.1 Violated in 0 structures by 0.00 A. Peak 11943 from cnoeabs.peaks (3.99, 1.82, 30.64 ppm; 6.80 A): 1 out of 11 assignments used, quality = 0.80: HA VAL 20 + HB3 ARG 23 OK 80 100 80 100 3.8-10.9 11783/6204=96...(18) HA SER 60 - HB3 ARG 23 far 9 92 10 - 7.0-27.0 HB2 SER 106 - HB3 ARG 23 far 6 63 10 - 8.1-38.8 HA GLN 68 - HB3 ARG 23 far 5 100 5 - 6.1-20.9 HB3 SER 51 - HB3 ARG 23 far 5 95 5 - 5.7-30.9 HB3 SER 106 - HB3 ARG 23 far 5 90 5 - 7.4-38.9 HB2 SER 38 - HB3 ARG 23 far 4 83 5 - 6.1-32.2 HA ILE 37 - HB3 ARG 23 far 3 68 5 - 8.1-27.7 HA THR 65 - HB3 ARG 23 far 0 73 0 - 8.7-20.9 HA SER 50 - HB3 ARG 23 far 0 100 0 - 8.9-28.3 HA LEU 103 - HB3 ARG 23 far 0 78 0 - 9.4-34.3 Violated in 6 structures by 0.77 A. Peak 11944 from cnoeabs.peaks (0.86, 1.67, 28.90 ppm; 6.80 A): 10 out of 50 assignments used, quality = 1.00: QG2 ILE 32 + HD3 LYS 36 OK 99 99 100 100 1.8-5.2 10810/3.5=97...(117) QG2 ILE 32 + HD2 LYS 36 OK 99 99 100 100 1.8-4.4 10810/3.5=97...(116) QG2 ILE 32 + HD2 LYS 31 OK 77 92 85 99 4.6-8.4 6353/6347=15, ~10763=14...(112) QG2 ILE 32 + HD3 LYS 31 OK 75 89 85 99 4.1-9.0 890/10832=17...(98) QG2 ILE 32 + HD2 LYS 26 OK 62 89 70 99 3.5-15.6 ~10767=20, ~10704=17...(104) QG2 ILE 32 + HD3 LYS 26 OK 54 84 65 99 2.4-14.9 3.2/10767=20, ~10704=17...(92) QD2 LEU 22 + HD2 LYS 24 OK 30 73 80 51 4.2-10.0 ~10703=16, ~10714=16...(8) QD2 LEU 22 + HD3 LYS 24 OK 29 71 80 51 4.6-10.0 ~10703=16, ~10714=16...(8) QD2 LEU 69 + HD3 LYS 36 OK 24 99 70 35 6.2-11.8 11068/11125=12...(6) QD2 LEU 69 + HD2 LYS 36 OK 24 99 70 35 5.7-11.5 11068/11125=11...(6) QD2 LEU 22 - HD2 LYS 26 poor 14 71 20 - 6.8-14.5 QD2 LEU 70 - HD2 LYS 36 far 10 100 10 - 7.4-12.4 QD2 LEU 22 - HD3 LYS 26 far 10 66 15 - 7.2-13.6 QD2 LEU 70 - HD2 LYS 31 far 9 93 10 - 7.1-17.0 QD2 LEU 69 - HD2 LYS 31 far 9 91 10 - 6.8-15.7 QD2 LEU 70 - HD3 LYS 31 far 9 91 10 - 6.8-17.4 QD2 LEU 69 - HD3 LYS 26 far 8 83 10 - 7.7-19.4 QG1 VAL 133 - HD2 LYS 36 far 7 71 10 - 6.5-14.5 QG1 VAL 133 - HD3 LYS 36 far 7 71 10 - 6.9-15.5 QD2 LEU 70 - HD3 LYS 36 far 5 100 5 - 6.9-13.5 QD1 LEU 98 - HD2 LYS 24 far 5 94 5 - 2.1-32.5 QG2 VAL 57 - HD2 LYS 24 far 5 94 5 - 7.1-25.2 QD1 LEU 98 - HD3 LYS 24 far 5 92 5 - 2.3-31.5 QG2 VAL 57 - HD3 LYS 24 far 5 92 5 - 7.0-24.7 QD2 LEU 69 - HD2 LYS 26 far 4 89 5 - 7.9-19.7 QD2 LEU 69 - HD3 LYS 31 far 4 89 5 - 8.1-14.7 QD2 LEU 98 - HD2 LYS 24 far 4 82 5 - 4.4-30.5 QD2 LEU 98 - HD3 LYS 24 far 4 80 5 - 4.1-29.5 QD2 LEU 123 - HD2 LYS 36 far 4 76 5 - 7.3-18.1 QD2 LEU 123 - HD3 LYS 36 far 4 76 5 - 8.2-17.7 QD2 LEU 123 - HD2 LYS 26 far 3 64 5 - 7.4-18.9 QG2 ILE 32 - HD3 LYS 24 lone 1 89 25 3 3.9-16.7 QG2 ILE 32 - HD2 LYS 24 lone 1 92 25 3 5.1-16.1 QD2 LEU 123 - HD3 LYS 26 far 0 59 0 - 8.3-18.9 QD1 LEU 98 - HD2 LYS 26 far 0 92 0 - 8.4-26.3 QD2 LEU 22 - HD3 LYS 36 far 0 83 0 - 8.8-25.8 QD2 LEU 69 - HD3 LYS 24 far 0 89 0 - 8.8-20.1 QD1 LEU 98 - HD3 LYS 26 far 0 87 0 - 9.0-27.3 QD2 LEU 70 - HD2 LYS 26 far 0 91 0 - 9.1-17.5 QD2 LEU 22 - HD2 LYS 36 far 0 83 0 - 9.1-25.3 QD2 LEU 22 - HD3 LYS 31 far 0 71 0 - 9.1-19.9 QD2 LEU 70 - HD2 LYS 24 far 0 93 0 - 9.5-23.1 QD2 LEU 70 - HD3 LYS 24 far 0 91 0 - 9.7-23.8 QD2 LEU 22 - HD2 LYS 31 far 0 73 0 - 9.7-18.9 QD2 LEU 98 - HD3 LYS 26 far 0 75 0 - 9.9-26.0 QG2 VAL 57 - HD3 LYS 26 far 0 87 0 - 9.9-23.3 QG2 VAL 57 - HD2 LYS 26 far 0 92 0 - 9.9-23.5 QD2 LEU 123 - HD2 LYS 31 far 0 66 0 - 9.9-19.9 QD2 LEU 69 - HD2 LYS 24 far 0 91 0 - 10.0-21.0 QD2 LEU 70 - HD3 LYS 26 far 0 86 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 6 from aliabs.peaks (3.90, 3.90, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 Peak 7 from aliabs.peaks (3.90, 3.90, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 Reference assignment not found: HA3 GLY 2 - HA2 GLY 2 Peak 9 from aliabs.peaks (3.90, 3.90, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Reference assignment not found: HA2 GLY 2 - HA3 GLY 2 Peak 10 from aliabs.peaks (3.90, 3.90, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Peak 13 from aliabs.peaks (4.62, 4.62, 55.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 3 + HA HIS 3 OK 100 100 - 100 HA HIS 6 + HA HIS 6 OK 70 70 - 100 Peak 14 from aliabs.peaks (3.03, 4.62, 55.20 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 3 + HA HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 HIS 3 - HA HIS 6 far 0 80 0 - 6.5-11.9 Violated in 0 structures by 0.00 A. Peak 15 from aliabs.peaks (3.16, 4.62, 55.20 ppm; 3.94 A): 2 out of 10 assignments used, quality = 1.00: * HB3 HIS 3 + HA HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 HIS 6 + HA HIS 6 OK 79 79 100 100 2.4-3.0 3.0=100 HB3 HIS 7 - HA HIS 6 poor 15 58 60 42 3.9-6.3 3.9/57=21, 1.8/72=8...(10) HB2 HIS 8 - HA HIS 6 far 4 75 5 - 5.4-9.7 HB2 HIS 6 - HA HIS 3 far 0 100 0 - 6.7-12.8 HB3 HIS 3 - HA HIS 6 far 0 80 0 - 7.0-12.3 HD3 ARG 84 - HA HIS 3 far 0 63 0 - 8.1-80.2 HB3 HIS 7 - HA HIS 3 far 0 81 0 - 8.6-16.1 HD2 ARG 84 - HA HIS 3 far 0 63 0 - 9.0-81.1 HD2 ARG 23 - HA HIS 6 far 0 80 0 - 9.7-34.0 Violated in 0 structures by 0.00 A. Peak 16 from aliabs.peaks (8.51, 4.62, 55.20 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 4 + HA HIS 3 OK 100 100 100 100 2.2-3.6 3.6=100 H HIS 4 - HA HIS 6 lone 4 80 45 10 7.1-9.3 4.0/38=6, 4.0/11935=2 H ALA 46 - HA HIS 6 far 0 60 0 - 9.8-56.3 Violated in 0 structures by 0.00 A. Peak 18 from aliabs.peaks (4.62, 3.03, 28.79 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HA HIS 3 + HB2 HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 4 - HB2 HIS 3 lone 3 100 50 6 4.1-5.9 23/1.8=2, 3.6/21=2, ~38=1 HA GLN 82 - HB2 HIS 3 far 0 71 0 - 5.6-74.2 HA HIS 6 - HB2 HIS 3 far 0 93 0 - 6.5-11.9 Violated in 0 structures by 0.00 A. Peak 19 from aliabs.peaks (3.03, 3.03, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 3 + HB2 HIS 3 OK 100 100 - 100 Peak 20 from aliabs.peaks (3.16, 3.03, 28.79 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB3 HIS 3 + HB2 HIS 3 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 84 - HB2 HIS 3 far 0 63 0 - 7.1-78.8 HD2 ARG 84 - HB2 HIS 3 far 0 63 0 - 8.1-79.7 HB3 HIS 7 - HB2 HIS 3 far 0 81 0 - 8.1-15.9 HB2 HIS 6 - HB2 HIS 3 far 0 100 0 - 8.2-13.4 Violated in 0 structures by 0.00 A. Peak 21 from aliabs.peaks (8.51, 3.03, 28.79 ppm; 5.78 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 4 + HB2 HIS 3 OK 100 100 100 100 2.1-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 23 from aliabs.peaks (4.62, 3.16, 28.79 ppm; 3.68 A): 2 out of 10 assignments used, quality = 1.00: * HA HIS 3 + HB3 HIS 3 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB2 HIS 6 OK 56 56 100 100 2.4-3.0 3.0=100 HA HIS 7 - HB2 HIS 6 poor 14 37 80 47 3.8-5.9 ~6030=11, ~57=11, ~116=8...(13) HA HIS 4 - HB3 HIS 3 lone 5 100 60 8 3.9-5.7 18/1.8=2, 55=2, 3.6/26=2, ~38=2 HA HIS 4 - HB2 HIS 6 far 3 64 5 - 5.1-9.4 HA GLN 82 - HB3 HIS 3 far 0 71 0 - 5.7-73.3 HA HIS 3 - HB2 HIS 6 far 0 65 0 - 6.7-12.8 HA HIS 6 - HB3 HIS 3 far 0 93 0 - 7.0-12.3 HA HIS 7 - HB2 HIS 10 far 0 55 0 - 7.5-12.3 HA HIS 7 - HB3 HIS 3 far 0 68 0 - 8.8-15.4 Violated in 0 structures by 0.00 A. Peak 24 from aliabs.peaks (3.03, 3.16, 28.79 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 3 + HB3 HIS 3 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 3 - HB2 HIS 6 far 0 65 0 - 8.2-13.4 Violated in 0 structures by 0.00 A. Peak 25 from aliabs.peaks (3.16, 3.16, 28.79 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 HIS 3 + HB3 HIS 3 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 85 85 - 100 HB2 HIS 6 + HB2 HIS 6 OK 64 64 - 100 Peak 26 from aliabs.peaks (8.51, 3.16, 28.79 ppm; 5.17 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 4 + HB3 HIS 3 OK 100 100 100 100 2.0-4.4 4.7=100 H HIS 4 - HB2 HIS 6 far 0 65 0 - 7.5-10.4 H ALA 46 - HB3 HIS 3 far 0 83 0 - 9.2-62.8 H ALA 46 - HB2 HIS 6 far 0 47 0 - 9.9-55.0 Violated in 0 structures by 0.00 A. Peak 28 from aliabs.peaks (4.62, 4.62, 57.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 4 + HA HIS 4 OK 100 100 - 100 Peak 33 from aliabs.peaks (4.62, 3.11, 28.89 ppm; 3.49 A): 2 out of 8 assignments used, quality = 1.00: * HA HIS 4 + HB2 HIS 4 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB3 HIS 6 OK 76 76 100 100 2.4-3.0 3.0=100 HA HIS 7 - HB3 HIS 6 poor 9 58 35 43 3.9-6.0 ~6030=10, ~57=9...(12) HA HIS 4 - HB3 HIS 6 far 8 80 10 - 3.8-9.4 HA HIS 3 - HB2 HIS 4 lone 2 100 30 5 4.1-6.6 38/1.8=3 HA HIS 3 - HB3 HIS 6 far 0 79 0 - 5.1-12.7 HA HIS 6 - HB2 HIS 4 far 0 98 0 - 5.4-9.0 HA HIS 7 - HB2 HIS 4 far 0 81 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 34 from aliabs.peaks (3.11, 3.11, 28.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 4 + HB2 HIS 4 OK 100 100 - 100 HB3 HIS 6 + HB3 HIS 6 OK 78 78 - 100 Peak 35 from aliabs.peaks (3.23, 3.11, 28.89 ppm; 2.64 A): 1 out of 8 assignments used, quality = 1.00: * HB3 HIS 4 + HB2 HIS 4 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 5 - HB2 HIS 4 far 5 100 5 - 4.0-7.9 HB2 HIS 5 - HB3 HIS 6 far 0 80 0 - 4.4-7.4 HB3 HIS 8 - HB3 HIS 6 far 0 59 0 - 4.9-10.7 HB3 HIS 4 - HB3 HIS 6 far 0 80 0 - 4.9-9.8 HD3 ARG 135 - HB2 HIS 4 far 0 100 0 - 7.2-74.0 HB3 HIS 10 - HB3 HIS 6 far 0 71 0 - 9.4-17.0 HD3 ARG 135 - HB3 HIS 6 far 0 80 0 - 9.9-68.7 Violated in 0 structures by 0.00 A. Peak 38 from aliabs.peaks (4.62, 3.23, 28.89 ppm; 6.80 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 4 + HB3 HIS 4 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 3 - HB3 HIS 4 lone 15 100 100 14 4.0-6.6 ~23=3, ~18=3, ~55=2...(5) HA ASN 13 - HB3 HIS 10 poor 12 35 35 - 5.8-10.7 HA HIS 6 - HB3 HIS 4 lone 10 98 80 13 5.6-8.7 11936=5, 11935/1.8=3, 16/4.0=2 HA HIS 7 - HB3 HIS 10 far 3 52 5 - 8.1-12.9 HA HIS 7 - HB3 HIS 4 far 0 81 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 39 from aliabs.peaks (3.11, 3.23, 28.89 ppm; 2.71 A): 1 out of 5 assignments used, quality = 1.00: * HB2 HIS 4 + HB3 HIS 4 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 6 - HB3 HIS 4 far 0 99 0 - 4.9-9.8 HB2 HIS 7 - HB3 HIS 10 far 0 73 0 - 8.3-12.7 HB2 HIS 7 - HB3 HIS 4 far 0 100 0 - 8.8-13.3 HB3 HIS 6 - HB3 HIS 10 far 0 72 0 - 9.4-17.0 Violated in 0 structures by 0.00 A. Peak 40 from aliabs.peaks (3.23, 3.23, 28.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 4 + HB3 HIS 4 OK 100 100 - 100 HB3 HIS 10 + HB3 HIS 10 OK 65 65 - 100 Peak 43 from aliabs.peaks (4.41, 4.41, 54.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 5 + HA HIS 5 OK 100 100 - 100 HA MET 11 + HA MET 11 OK 97 97 - 100 Peak 45 from aliabs.peaks (3.07, 4.41, 54.88 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 5 + HA HIS 5 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 86 - HA MET 11 far 5 97 5 - 7.2-51.3 Violated in 0 structures by 0.00 A. Peak 48 from aliabs.peaks (3.23, 3.23, 27.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 5 + HB2 HIS 5 OK 100 100 - 100 Peak 49 from aliabs.peaks (3.07, 3.23, 27.29 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 5 + HB2 HIS 5 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 52 from aliabs.peaks (3.23, 3.07, 27.29 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 5 + HB3 HIS 5 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 4 + HB3 HIS 5 OK 25 100 100 25 4.7-7.4 ~35=14, ~11936=10 HB3 HIS 8 - HB3 HIS 5 far 8 83 10 - 5.3-12.9 Violated in 0 structures by 0.00 A. Peak 53 from aliabs.peaks (3.07, 3.07, 27.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 5 + HB3 HIS 5 OK 100 100 - 100 Peak 54 from aliabs.peaks (4.63, 4.63, 55.16 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA HIS 6 + HA HIS 6 OK 100 100 - 100 HA HIS 7 + HA HIS 7 OK 77 77 - 100 HA HIS 3 + HA HIS 3 OK 70 70 - 100 Peak 55 from aliabs.peaks (3.16, 4.63, 55.16 ppm; 3.41 A): 6 out of 15 assignments used, quality = 1.00: * HB2 HIS 6 + HA HIS 6 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 3 + HA HIS 3 OK 79 79 100 100 2.4-3.0 3.0=100 HB3 HIS 7 + HA HIS 7 OK 70 70 100 100 2.4-2.7 3.0=100 HB2 HIS 6 + HA HIS 7 OK 26 85 70 43 3.8-5.9 ~6030=9, ~57=9, 77=7...(11) HB2 HIS 8 + HA HIS 7 OK 24 83 55 52 3.9-6.0 4.0/6036=37, 77=7...(7) HB3 HIS 7 + HA HIS 6 OK 20 89 60 38 3.9-6.3 3.9/57=20, 1.8/72=9...(9) HB2 HIS 8 - HA HIS 6 far 0 99 0 - 5.4-9.7 HD2 ARG 23 - HA HIS 7 far 0 84 0 - 6.0-30.6 HD3 ARG 23 - HA HIS 7 far 0 85 0 - 6.5-31.6 HB2 HIS 6 - HA HIS 3 far 0 80 0 - 6.7-12.8 HB3 HIS 3 - HA HIS 6 far 0 100 0 - 7.0-12.3 HB2 HIS 10 - HA HIS 7 far 0 75 0 - 7.5-12.3 HB3 HIS 7 - HA HIS 3 far 0 65 0 - 8.6-16.1 HB3 HIS 3 - HA HIS 7 far 0 84 0 - 8.8-15.4 HD2 ARG 23 - HA HIS 6 far 0 100 0 - 9.7-34.0 Violated in 0 structures by 0.00 A. Peak 56 from aliabs.peaks (3.11, 4.63, 55.16 ppm; 3.53 A): 3 out of 12 assignments used, quality = 1.00: * HB3 HIS 6 + HA HIS 6 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 HIS 7 + HA HIS 7 OK 81 81 100 100 2.4-3.0 3.0=100 HB3 HIS 7 + HA HIS 7 OK 51 51 100 100 2.4-2.7 3.0=100 HB2 HIS 7 - HA HIS 6 poor 19 98 45 43 4.1-6.4 3.9/57=21, 72=13...(9) HB3 HIS 7 - HA HIS 6 poor 16 68 60 40 3.9-6.3 3.9/57=21, 1.8/72=10...(9) HB3 HIS 6 - HA HIS 7 poor 14 85 35 47 3.9-6.0 116/2.9=10, ~6030=10...(12) HB2 HIS 4 - HA HIS 3 lone 1 78 30 5 4.1-6.6 1.8/38=3 HB3 HIS 6 - HA HIS 3 far 0 80 0 - 5.1-12.7 HB2 HIS 4 - HA HIS 6 far 0 99 0 - 5.4-9.0 HB2 HIS 4 - HA HIS 7 far 0 83 0 - 8.5-11.5 HB3 HIS 7 - HA HIS 3 far 0 48 0 - 8.6-16.1 HB2 HIS 7 - HA HIS 3 far 0 76 0 - 9.5-16.2 Violated in 0 structures by 0.00 A. Peak 58 from aliabs.peaks (4.63, 3.16, 29.14 ppm; 2.70 A): 3 out of 15 assignments used, quality = 0.93: * HA HIS 6 + HB2 HIS 6 OK 79 100 100 79 2.4-3.0 3.0=71, 69/1.8=16...(4) HA HIS 7 + HB3 HIS 7 OK 43 55 100 78 2.4-2.7 3.0=73, 6036/4.6=17, ~69=3 HA HIS 3 + HB3 HIS 3 OK 40 56 100 71 2.4-3.0 3.0=71 HA HIS 7 - HB2 HIS 6 poor 19 96 20 - 3.8-5.9 HA HIS 7 - HB2 HIS 8 poor 18 88 20 - 3.9-6.0 HA HIS 6 - HB3 HIS 7 poor 15 61 25 - 3.9-6.3 HA HIS 4 - HB3 HIS 3 poor 15 61 25 - 3.9-5.7 HA HIS 4 - HB2 HIS 6 far 0 98 0 - 5.1-9.4 HA HIS 6 - HB2 HIS 8 far 0 95 0 - 5.4-9.7 HA HIS 3 - HB2 HIS 6 far 0 93 0 - 6.7-12.8 HA HIS 6 - HB3 HIS 3 far 0 65 0 - 7.0-12.3 HA HIS 4 - HB3 HIS 7 far 0 58 0 - 7.2-13.0 HA HIS 3 - HB3 HIS 7 far 0 52 0 - 8.6-16.1 HA HIS 7 - HB3 HIS 3 far 0 58 0 - 8.8-15.4 HA ASN 13 - HB2 HIS 8 far 0 72 0 - 9.1-18.8 Violated in 0 structures by 0.00 A. Peak 59 from aliabs.peaks (3.16, 3.16, 29.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 HIS 6 + HB2 HIS 6 OK 100 100 - 100 HB2 HIS 8 + HB2 HIS 8 OK 93 93 - 100 HB3 HIS 3 + HB3 HIS 3 OK 64 64 - 100 HB3 HIS 7 + HB3 HIS 7 OK 48 48 - 100 Peak 60 from aliabs.peaks (3.11, 3.16, 29.14 ppm; 2.50 A): 2 out of 15 assignments used, quality = 1.00: * HB3 HIS 6 + HB2 HIS 6 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 7 + HB3 HIS 7 OK 58 58 100 100 1.8-1.8 1.8=100 HB2 HIS 7 - HB2 HIS 8 far 5 91 5 - 3.8-7.1 HB3 HIS 7 - HB2 HIS 8 far 3 60 5 - 3.9-7.6 HB3 HIS 7 - HB2 HIS 6 far 0 68 0 - 4.2-7.4 HB2 HIS 4 - HB3 HIS 3 far 0 63 0 - 4.3-7.5 HB2 HIS 7 - HB2 HIS 6 far 0 98 0 - 4.3-7.4 HB3 HIS 6 - HB3 HIS 7 far 0 61 0 - 5.0-7.3 HB3 HIS 6 - HB2 HIS 8 far 0 95 0 - 5.8-10.1 HB2 HIS 4 - HB2 HIS 6 far 0 99 0 - 6.4-10.0 HB3 HIS 6 - HB3 HIS 3 far 0 65 0 - 6.4-13.7 HB3 HIS 7 - HB3 HIS 3 far 0 37 0 - 6.5-16.8 HB2 HIS 7 - HB3 HIS 3 far 0 61 0 - 7.0-17.0 HB2 HIS 4 - HB3 HIS 7 far 0 60 0 - 8.2-12.3 HB3 CYS 45 - HB3 HIS 7 far 0 61 0 - 10.0-50.3 Violated in 0 structures by 0.00 A. Peak 62 from aliabs.peaks (4.63, 3.11, 29.14 ppm; 3.05 A): 3 out of 12 assignments used, quality = 1.00: * HA HIS 6 + HB3 HIS 6 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 7 + HB2 HIS 7 OK 78 78 100 100 2.4-3.0 3.0=100 HA HIS 4 + HB2 HIS 4 OK 76 76 100 100 2.4-3.0 3.0=100 HA HIS 3 - HB2 HIS 4 poor 14 70 20 - 4.1-6.6 HA HIS 6 - HB2 HIS 7 far 13 86 15 - 4.1-6.4 HA HIS 4 - HB3 HIS 6 far 10 98 10 - 3.8-9.4 HA HIS 7 - HB3 HIS 6 far 10 96 10 - 3.9-6.0 HA HIS 3 - HB3 HIS 6 far 0 93 0 - 5.1-12.7 HA HIS 6 - HB2 HIS 4 far 0 80 0 - 5.4-9.0 HA HIS 4 - HB2 HIS 7 far 0 81 0 - 7.8-12.8 HA HIS 7 - HB2 HIS 4 far 0 72 0 - 8.5-11.5 HA HIS 3 - HB2 HIS 7 far 0 75 0 - 9.5-16.2 Violated in 0 structures by 0.00 A. Peak 63 from aliabs.peaks (3.16, 3.11, 29.14 ppm; 2.50 A): 2 out of 18 assignments used, quality = 1.00: * HB2 HIS 6 + HB3 HIS 6 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 7 + HB2 HIS 7 OK 70 70 100 100 1.8-1.8 1.8=100 HB2 HIS 8 - HB2 HIS 7 far 4 84 5 - 3.8-7.1 HB3 HIS 3 - HB2 HIS 4 far 0 79 0 - 4.3-7.5 HB2 HIS 6 - HB2 HIS 7 far 0 86 0 - 4.3-7.4 HB3 HIS 7 - HB3 HIS 6 far 0 89 0 - 5.0-7.3 HD2 ARG 23 - HB2 HIS 7 far 0 84 0 - 5.3-30.5 HB2 HIS 8 - HB3 HIS 6 far 0 99 0 - 5.8-10.1 HD3 ARG 23 - HB2 HIS 7 far 0 86 0 - 5.9-31.6 HB2 HIS 6 - HB2 HIS 4 far 0 80 0 - 6.4-10.0 HB3 HIS 3 - HB3 HIS 6 far 0 100 0 - 6.4-13.7 HB3 HIS 3 - HB2 HIS 7 far 0 85 0 - 7.0-17.0 HD3 ARG 23 - HB3 HIS 6 far 0 100 0 - 7.2-36.3 HB2 HIS 10 - HB2 HIS 7 far 0 75 0 - 7.3-11.8 HD2 ARG 23 - HB3 HIS 6 far 0 100 0 - 7.3-35.2 HB3 HIS 7 - HB2 HIS 4 far 0 65 0 - 8.2-12.3 HB2 HIS 10 - HB3 HIS 6 far 0 93 0 - 9.9-16.3 HD3 ARG 23 - HB2 HIS 4 far 0 80 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 64 from aliabs.peaks (3.11, 3.11, 29.14 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 HIS 6 + HB3 HIS 6 OK 100 100 - 100 HB2 HIS 7 + HB2 HIS 7 OK 81 81 - 100 HB2 HIS 4 + HB2 HIS 4 OK 78 78 - 100 Peak 67 from aliabs.peaks (4.64, 4.64, 55.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 7 + HA HIS 7 OK 100 100 - 100 HA HIS 6 + HA HIS 6 OK 77 77 - 100 Peak 68 from aliabs.peaks (3.10, 4.64, 55.24 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * HB2 HIS 7 + HA HIS 7 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 6 + HA HIS 6 OK 81 81 100 100 2.4-3.0 3.0=100 HB2 HIS 7 - HA HIS 6 poor 16 85 45 41 4.1-6.4 3.9/6030=20, 72=13...(9) HB3 HIS 6 - HA HIS 7 poor 15 98 35 45 3.9-6.0 ~6030=10, ~57=9...(12) HB2 HIS 4 - HA HIS 6 far 0 85 0 - 5.4-9.0 HB2 HIS 4 - HA HIS 7 far 0 100 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 69 from aliabs.peaks (3.14, 4.64, 55.24 ppm; 3.29 A): 4 out of 13 assignments used, quality = 1.00: * HB3 HIS 7 + HA HIS 7 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 HIS 6 + HA HIS 6 OK 70 70 100 100 2.4-3.0 3.0=100 HB3 HIS 6 + HA HIS 6 OK 51 51 100 100 2.4-3.0 3.0=100 HB2 HIS 8 + HA HIS 7 OK 23 97 45 52 3.9-6.0 4.0/6036=36, 77=8...(7) HB2 HIS 6 - HA HIS 7 poor 20 89 60 38 3.8-5.9 ~6030=8, ~57=8, 77=6...(9) HB3 HIS 7 - HA HIS 6 poor 18 85 60 35 3.9-6.3 3.9/6030=18, 1.8/72=9...(8) HB3 HIS 6 - HA HIS 7 poor 14 68 20 - 3.9-6.0 HB2 HIS 8 - HA HIS 6 far 0 79 0 - 5.4-9.7 HD2 ARG 23 - HA HIS 7 far 0 78 0 - 6.0-30.6 HD3 ARG 23 - HA HIS 7 far 0 85 0 - 6.5-31.6 HB3 HIS 3 - HA HIS 6 far 0 62 0 - 7.0-12.3 HB3 HIS 3 - HA HIS 7 far 0 81 0 - 8.8-15.4 HD2 ARG 23 - HA HIS 6 far 0 60 0 - 9.7-34.0 Violated in 0 structures by 0.00 A. Peak 72 from aliabs.peaks (4.64, 3.10, 29.32 ppm; 4.91 A): 4 out of 8 assignments used, quality = 1.00: * HA HIS 7 + HB2 HIS 7 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 6 + HB3 HIS 6 OK 78 78 100 100 2.4-3.0 3.0=100 HA HIS 7 + HB3 HIS 6 OK 57 86 100 66 3.9-6.0 ~6030=23, ~57=23, ~116=8...(15) HA HIS 6 + HB2 HIS 7 OK 50 96 95 55 4.1-6.4 6030/3.9=37, 11935=8...(10) HA HIS 4 - HB3 HIS 6 far 6 63 10 - 3.8-9.4 HA HIS 3 - HB3 HIS 6 far 3 52 5 - 5.1-12.7 HA HIS 4 - HB2 HIS 7 far 0 81 0 - 7.8-12.8 HA HIS 3 - HB2 HIS 7 far 0 68 0 - 9.5-16.2 Violated in 0 structures by 0.00 A. Peak 73 from aliabs.peaks (3.10, 3.10, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 7 + HB2 HIS 7 OK 100 100 - 100 HB3 HIS 6 + HB3 HIS 6 OK 81 81 - 100 Peak 74 from aliabs.peaks (3.14, 3.10, 29.32 ppm; 2.50 A): 2 out of 13 assignments used, quality = 1.00: * HB3 HIS 7 + HB2 HIS 7 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 6 + HB3 HIS 6 OK 70 70 100 100 1.8-1.8 1.8=100 HB2 HIS 8 - HB2 HIS 7 far 5 97 5 - 3.8-7.1 HB2 HIS 6 - HB2 HIS 7 far 0 89 0 - 4.3-7.4 HB3 HIS 7 - HB3 HIS 6 far 0 86 0 - 5.0-7.3 HB3 HIS 6 - HB2 HIS 7 far 0 68 0 - 5.1-7.6 HD2 ARG 23 - HB2 HIS 7 far 0 78 0 - 5.3-30.5 HB2 HIS 8 - HB3 HIS 6 far 0 79 0 - 5.8-10.1 HD3 ARG 23 - HB2 HIS 7 far 0 85 0 - 5.9-31.6 HB3 HIS 3 - HB3 HIS 6 far 0 63 0 - 6.4-13.7 HB3 HIS 3 - HB2 HIS 7 far 0 81 0 - 7.0-17.0 HD3 ARG 23 - HB3 HIS 6 far 0 67 0 - 7.2-36.3 HD2 ARG 23 - HB3 HIS 6 far 0 61 0 - 7.3-35.2 Violated in 0 structures by 0.00 A. Peak 77 from aliabs.peaks (4.64, 3.14, 29.32 ppm; 3.93 A): 5 out of 11 assignments used, quality = 1.00: * HA HIS 7 + HB3 HIS 7 OK 100 100 100 100 2.4-2.7 3.0=100 HA HIS 6 + HB2 HIS 6 OK 55 55 100 100 2.4-3.0 3.0=100 HA HIS 7 + HB2 HIS 8 OK 34 89 60 64 3.9-6.0 6036/4.0=53, 68=8...(5) HA HIS 7 + HB2 HIS 6 OK 25 61 80 50 3.8-5.9 ~6030=13, ~57=13, ~116=9...(12) HA HIS 6 + HB3 HIS 7 OK 24 96 60 41 3.9-6.3 6030/3.9=25, 68/1.8=6...(10) HA HIS 4 - HB2 HIS 6 far 4 43 10 - 5.1-9.4 HA HIS 6 - HB2 HIS 8 far 0 81 0 - 5.4-9.7 HA HIS 3 - HB2 HIS 6 far 0 35 0 - 6.7-12.8 HA HIS 4 - HB3 HIS 7 far 0 81 0 - 7.2-13.0 HA HIS 3 - HB3 HIS 7 far 0 68 0 - 8.6-16.1 HA ASN 13 - HB2 HIS 8 far 0 85 0 - 9.1-18.8 Violated in 0 structures by 0.00 A. Peak 78 from aliabs.peaks (3.10, 3.14, 29.32 ppm; 2.50 A): 2 out of 9 assignments used, quality = 1.00: * HB2 HIS 7 + HB3 HIS 7 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 6 + HB2 HIS 6 OK 58 58 100 100 1.8-1.8 1.8=100 HB2 HIS 7 - HB2 HIS 8 far 4 89 5 - 3.8-7.1 HB2 HIS 7 - HB2 HIS 6 far 0 61 0 - 4.3-7.4 HB3 HIS 6 - HB3 HIS 7 far 0 98 0 - 5.0-7.3 HB3 HIS 6 - HB2 HIS 8 far 0 85 0 - 5.8-10.1 HB2 HIS 4 - HB2 HIS 6 far 0 61 0 - 6.4-10.0 HB2 HIS 4 - HB3 HIS 7 far 0 100 0 - 8.2-12.3 HB3 CYS 45 - HB3 HIS 7 far 0 96 0 - 10.0-50.3 Violated in 0 structures by 0.00 A. Peak 79 from aliabs.peaks (3.14, 3.14, 29.32 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 HIS 7 + HB3 HIS 7 OK 100 100 - 100 HB2 HIS 8 + HB2 HIS 8 OK 83 83 - 100 HB2 HIS 6 + HB2 HIS 6 OK 48 48 - 100 Peak 82 from aliabs.peaks (4.68, 4.68, 55.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 8 + HA HIS 8 OK 100 100 - 100 HA HIS 10 + HA HIS 10 OK 88 88 - 100 Peak 83 from aliabs.peaks (3.15, 4.68, 55.00 ppm; 3.10 A): 2 out of 12 assignments used, quality = 1.00: * HB2 HIS 8 + HA HIS 8 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 HIS 10 + HA HIS 10 OK 67 67 100 100 2.3-3.0 3.0=100 HB3 HIS 7 - HA HIS 8 poor 6 97 25 24 4.2-6.0 ~6036=14, 87=4, ~11936=3...(7) HB2 HIS 8 - HA HIS 10 far 0 88 0 - 5.7-9.0 HB2 HIS 6 - HA HIS 8 far 0 99 0 - 5.7-9.0 HB2 HIS 10 - HA HIS 8 far 0 83 0 - 5.9-8.9 HD3 ARG 23 - HA HIS 10 far 0 85 0 - 6.6-23.2 HD2 ARG 23 - HA HIS 10 far 0 82 0 - 7.9-22.4 HD3 ARG 23 - HA HIS 8 far 0 99 0 - 8.0-29.4 HD2 ARG 23 - HA HIS 8 far 0 97 0 - 8.2-28.4 HB3 HIS 7 - HA HIS 10 far 0 82 0 - 8.6-12.9 HB2 HIS 6 - HA HIS 10 far 0 86 0 - 8.9-15.4 Violated in 0 structures by 0.00 A. Peak 84 from aliabs.peaks (3.21, 4.68, 55.00 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 8 + HA HIS 8 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 HIS 8 - HA HIS 10 far 0 88 0 - 5.3-7.9 HB2 HIS 5 - HA HIS 8 far 0 83 0 - 7.3-12.5 Violated in 0 structures by 0.00 A. Peak 87 from aliabs.peaks (4.68, 3.15, 29.27 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HA HIS 8 + HB2 HIS 8 OK 100 100 100 100 2.4-3.0 2.9=100 HA HIS 8 + HB3 HIS 7 OK 82 89 100 93 4.2-6.0 ~6036=84, 83/1.8=17...(9) HA HIS 8 - HB2 HIS 6 lone 15 95 80 20 5.7-9.0 2.9/6038=9, ~80=8, ~11935=1 HA HIS 10 - HB2 HIS 8 lone 12 100 70 17 5.7-9.0 85/6046=12, 3.0/76=4 HA HIS 10 - HB3 HIS 7 far 0 89 0 - 8.6-12.9 HA HIS 10 - HB2 HIS 6 far 0 95 0 - 8.9-15.4 Violated in 0 structures by 0.00 A. Peak 88 from aliabs.peaks (3.15, 3.15, 29.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 HIS 8 + HB2 HIS 8 OK 100 100 - 100 HB2 HIS 6 + HB2 HIS 6 OK 93 93 - 100 HB3 HIS 7 + HB3 HIS 7 OK 83 83 - 100 Peak 89 from aliabs.peaks (3.21, 3.15, 29.27 ppm; 3.45 A): 1 out of 8 assignments used, quality = 1.00: * HB3 HIS 8 + HB2 HIS 8 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 5 - HB2 HIS 6 far 4 74 5 - 4.6-7.4 HB2 HIS 5 - HB3 HIS 7 far 3 68 5 - 4.6-10.0 HB3 HIS 8 - HB3 HIS 7 far 0 89 0 - 5.2-7.6 HB3 HIS 4 - HB2 HIS 6 far 0 74 0 - 5.4-9.3 HB3 HIS 8 - HB2 HIS 6 far 0 95 0 - 5.9-11.2 HB2 HIS 5 - HB2 HIS 8 far 0 83 0 - 8.6-14.1 HB3 HIS 4 - HB3 HIS 7 far 0 68 0 - 8.8-13.6 Violated in 0 structures by 0.00 A. Peak 92 from aliabs.peaks (4.68, 3.21, 29.27 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 8 + HB3 HIS 8 OK 100 100 100 100 2.4-3.0 2.9=100 HA HIS 10 - HB3 HIS 8 far 0 100 0 - 5.3-7.9 Violated in 0 structures by 0.00 A. Peak 93 from aliabs.peaks (3.15, 3.21, 29.27 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 8 + HB3 HIS 8 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 10 - HB3 HIS 8 far 0 83 0 - 5.1-9.2 HB3 HIS 7 - HB3 HIS 8 far 0 97 0 - 5.2-7.6 HB2 HIS 6 - HB3 HIS 8 far 0 99 0 - 5.9-11.2 HD3 ARG 23 - HB3 HIS 8 far 0 99 0 - 7.2-29.4 HD2 ARG 23 - HB3 HIS 8 far 0 97 0 - 8.0-28.1 Violated in 0 structures by 0.00 A. Peak 94 from aliabs.peaks (3.21, 3.21, 29.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 8 + HB3 HIS 8 OK 100 100 - 100 Peak 97 from aliabs.peaks (4.38, 4.38, 58.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 9 + HA SER 9 OK 100 100 - 100 HA SER 107 + HA SER 107 OK 86 86 - 100 HA SER 33 + HA SER 33 OK 60 60 - 100 Peak 98 from aliabs.peaks (3.81, 4.38, 58.30 ppm; 3.91 A): 3 out of 5 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 9 + HA SER 9 OK 95 95 100 100 2.3-3.0 3.0=100 HB3 SER 33 + HA SER 33 OK 42 42 100 100 2.4-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 88 0 - 6.6-15.2 HA LEU 62 - HA SER 107 far 0 63 0 - 7.7-13.5 Violated in 0 structures by 0.00 A. Peak 99 from aliabs.peaks (3.80, 4.38, 58.30 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HA SER 9 OK 95 95 100 100 2.3-3.0 3.0=100 HA VAL 118 - HA SER 107 far 0 89 0 - 6.6-15.2 Violated in 0 structures by 0.00 A. Peak 102 from aliabs.peaks (4.38, 3.81, 63.56 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 9 + HB3 SER 9 OK 84 84 100 100 2.3-3.0 3.0=100 HA ASP 78 - HB3 SER 9 far 0 83 0 - 5.1-50.0 HA ASP 78 - HB2 SER 9 far 0 100 0 - 6.4-49.3 HA CYS 73 - HB3 SER 9 far 0 83 0 - 9.7-46.4 Violated in 0 structures by 0.00 A. Peak 103 from aliabs.peaks (3.81, 3.81, 63.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 HB3 SER 9 + HB3 SER 9 OK 75 75 - 100 Peak 104 from aliabs.peaks (3.80, 3.81, 63.56 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB2 SER 9 + HB2 SER 9 OK 95 95 - 100 HB3 SER 9 + HB3 SER 9 OK 84 84 - 100 Reference assignment not found: HB3 SER 9 - HB2 SER 9 Peak 107 from aliabs.peaks (4.38, 3.80, 63.56 ppm; 3.19 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 9 + HB2 SER 9 OK 84 84 100 100 2.3-3.0 3.0=100 HA ASP 78 - HB3 SER 9 far 0 100 0 - 5.1-50.0 HA ASP 78 - HB2 SER 9 far 0 83 0 - 6.4-49.3 HA CYS 73 - HB3 SER 9 far 0 100 0 - 9.7-46.4 Violated in 0 structures by 0.00 A. Peak 108 from aliabs.peaks (3.81, 3.80, 63.56 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB3 SER 9 + HB3 SER 9 OK 95 95 - 100 HB2 SER 9 + HB2 SER 9 OK 84 84 - 100 Reference assignment not found: HB2 SER 9 - HB3 SER 9 Peak 109 from aliabs.peaks (3.80, 3.80, 63.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 HB2 SER 9 + HB2 SER 9 OK 75 75 - 100 Peak 112 from aliabs.peaks (4.68, 4.68, 55.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HA HIS 10 OK 100 100 - 100 HA HIS 8 + HA HIS 8 OK 88 88 - 100 Peak 113 from aliabs.peaks (3.17, 4.68, 55.23 ppm; 3.91 A): 2 out of 10 assignments used, quality = 1.00: * HB2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 HIS 8 + HA HIS 8 OK 67 67 100 100 2.4-3.0 2.9=100 HB2 HIS 8 - HA HIS 10 far 0 83 0 - 5.7-9.0 HB2 HIS 6 - HA HIS 8 far 0 78 0 - 5.7-9.0 HB2 HIS 10 - HA HIS 8 far 0 88 0 - 5.9-8.9 HD3 ARG 23 - HA HIS 10 far 0 96 0 - 6.6-23.2 HD2 ARG 23 - HA HIS 10 far 0 98 0 - 7.9-22.4 HD3 ARG 23 - HA HIS 8 far 0 81 0 - 8.0-29.4 HD2 ARG 23 - HA HIS 8 far 0 84 0 - 8.2-28.4 HB2 HIS 6 - HA HIS 10 far 0 93 0 - 8.9-15.4 Violated in 0 structures by 0.00 A. Peak 114 from aliabs.peaks (3.25, 4.68, 55.23 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 HIS 10 - HA HIS 8 far 0 88 0 - 6.4-9.5 HB2 HIS 5 - HA HIS 8 far 0 79 0 - 7.3-12.5 Violated in 0 structures by 0.00 A. Peak 117 from aliabs.peaks (4.68, 3.17, 28.70 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB2 HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HA HIS 8 - HB2 HIS 10 far 0 100 0 - 5.9-8.9 Violated in 0 structures by 0.00 A. Peak 118 from aliabs.peaks (3.17, 3.17, 28.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 HB3 HIS 3 + HB3 HIS 3 OK 85 85 - 100 Peak 119 from aliabs.peaks (3.25, 3.17, 28.70 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB3 HIS 10 + HB2 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 4 - HB3 HIS 3 far 0 81 0 - 4.5-7.3 HB2 HIS 5 - HB3 HIS 3 far 0 81 0 - 4.5-10.6 HD3 ARG 135 - HB3 HIS 3 far 0 83 0 - 8.4-74.8 Violated in 0 structures by 0.00 A. Peak 122 from aliabs.peaks (4.68, 3.25, 28.70 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.3-3.0 3.0=100 HA HIS 8 - HB3 HIS 10 far 0 100 0 - 6.4-9.5 Violated in 0 structures by 0.00 A. Peak 123 from aliabs.peaks (3.17, 3.25, 28.70 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 3 - HB3 HIS 4 far 0 69 0 - 4.5-7.3 HD3 ARG 23 - HB3 HIS 10 far 0 96 0 - 4.7-23.1 HB2 HIS 8 - HB3 HIS 10 far 0 83 0 - 5.1-10.6 HB2 HIS 6 - HB3 HIS 4 far 0 64 0 - 5.4-9.3 HD2 ARG 23 - HB3 HIS 10 far 0 98 0 - 6.2-22.3 Violated in 0 structures by 0.00 A. Peak 124 from aliabs.peaks (3.25, 3.25, 28.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 HB3 HIS 4 + HB3 HIS 4 OK 65 65 - 100 Peak 126 from aliabs.peaks (8.41, 4.41, 54.98 ppm; 6.31 A): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + HA MET 11 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 127 from aliabs.peaks (4.41, 4.41, 54.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 HA HIS 5 + HA HIS 5 OK 97 97 - 100 Peak 128 from aliabs.peaks (1.92, 4.41, 54.98 ppm; 3.28 A): 1 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 30 - HA MET 11 far 0 81 0 - 6.4-33.7 HB2 GLU 30 - HA HIS 5 far 0 76 0 - 6.7-51.0 HB3 LEU 48 - HA MET 11 far 0 73 0 - 7.9-40.7 HB3 LEU 48 - HA HIS 5 far 0 69 0 - 8.0-57.6 HG LEU 53 - HA HIS 5 far 0 82 0 - 8.9-62.1 HB2 ARG 135 - HA HIS 5 far 0 56 0 - 9.3-70.0 HB3 ARG 84 - HA HIS 5 far 0 89 0 - 9.7-73.3 Violated in 0 structures by 0.00 A. Peak 129 from aliabs.peaks (2.01, 4.41, 54.98 ppm; 3.03 A): 2 out of 13 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 100 100 2.4-2.8 3.0=100 QE MET 11 + HA MET 11 OK 63 92 80 86 2.0-5.3 3.3/130=35, 11792/4.0=28...(10) HB VAL 20 - HA MET 11 far 0 96 0 - 5.0-20.2 HG2 PRO 58 - HA MET 11 far 0 93 0 - 5.7-46.6 HB3 GLU 30 - HA HIS 5 far 0 98 0 - 6.0-51.2 HB2 GLN 134 - HA HIS 5 far 0 95 0 - 6.9-68.7 HB3 GLU 30 - HA MET 11 far 0 100 0 - 7.1-34.2 QE MET 11 - HA HIS 5 far 0 87 0 - 7.4-20.3 HB2 GLU 44 - HA HIS 5 far 0 93 0 - 8.0-57.5 HB2 PRO 81 - HA HIS 5 far 0 39 0 - 9.0-66.1 HG2 PRO 81 - HA HIS 5 far 0 96 0 - 9.2-66.4 HB3 GLU 40 - HA HIS 5 far 0 94 0 - 9.7-61.0 HG3 ARG 135 - HA HIS 5 far 0 78 0 - 9.7-69.6 Violated in 0 structures by 0.00 A. Peak 130 from aliabs.peaks (2.44, 4.41, 54.98 ppm; 3.66 A): 1 out of 4 assignments used, quality = 0.99: * HG2 MET 11 + HA MET 11 OK 99 100 100 99 2.0-3.9 148=81, 6069/2.9=54...(10) HG3 GLN 82 - HA HIS 5 far 0 94 0 - 5.6-71.1 HG2 GLN 82 - HA HIS 5 far 0 89 0 - 5.8-72.4 HG3 GLN 104 - HA MET 11 far 0 60 0 - 7.8-48.7 Violated in 6 structures by 0.04 A. Peak 131 from aliabs.peaks (2.51, 4.41, 54.98 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + HA MET 11 OK 100 100 100 100 2.1-4.2 4.0=100 HB2 ASP 78 - HA MET 11 far 5 92 5 - 5.2-45.7 HG3 GLU 44 - HA HIS 5 far 0 66 0 - 8.4-59.8 HG3 GLU 44 - HA MET 11 far 0 71 0 - 9.7-44.5 Violated in 0 structures by 0.00 A. Peak 132 from aliabs.peaks (8.45, 4.41, 54.98 ppm; 5.77 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 12 + HA MET 11 OK 100 100 100 100 2.2-2.7 3.6=100 H ASP 47 - HA HIS 5 far 0 96 0 - 8.7-59.7 Violated in 0 structures by 0.00 A. Peak 134 from aliabs.peaks (4.41, 1.92, 32.92 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 107 - HB2 MET 11 far 0 68 0 - 7.7-54.9 HA SER 33 - HB2 MET 11 far 0 76 0 - 9.9-33.2 Violated in 0 structures by 0.00 A. Peak 135 from aliabs.peaks (1.92, 1.92, 32.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 136 from aliabs.peaks (2.01, 1.92, 32.92 ppm; 2.50 A): 2 out of 6 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 11 + HB2 MET 11 OK 47 92 70 74 2.0-4.3 11791/2.9=28...(8) HB VAL 20 - HB2 MET 11 far 0 96 0 - 5.7-21.3 HB3 GLU 30 - HB2 MET 11 far 0 100 0 - 7.9-35.7 HG2 PRO 58 - HB2 MET 11 far 0 93 0 - 8.0-47.6 HB2 PRO 81 - HB2 MET 11 far 0 42 0 - 9.9-50.5 Violated in 0 structures by 0.00 A. Peak 137 from aliabs.peaks (2.44, 1.92, 32.92 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLN 104 - HB2 MET 11 far 0 60 0 - 9.1-50.1 Violated in 0 structures by 0.00 A. Peak 138 from aliabs.peaks (2.51, 1.92, 32.92 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ASP 78 - HB2 MET 11 far 0 92 0 - 6.5-46.3 Violated in 0 structures by 0.00 A. Peak 141 from aliabs.peaks (4.41, 2.01, 32.92 ppm; 3.42 A): 1 out of 7 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 100 100 2.4-2.8 3.0=100 HA MET 11 - HB VAL 20 far 0 46 0 - 5.0-20.2 HA SER 107 - HB VAL 20 far 0 25 0 - 7.5-41.5 HA SER 107 - HB3 MET 11 far 0 68 0 - 7.9-53.2 HA SER 33 - HB VAL 20 far 0 29 0 - 8.2-26.4 HA THR 54 - HB VAL 20 far 0 43 0 - 9.1-38.2 HA SER 33 - HB3 MET 11 far 0 76 0 - 9.2-31.8 Violated in 0 structures by 0.00 A. Peak 142 from aliabs.peaks (1.92, 2.01, 32.92 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 30 - HB VAL 20 far 0 31 0 - 4.1-21.5 HB3 LEU 48 - HB VAL 20 far 0 28 0 - 4.1-29.1 HB2 MET 11 - HB VAL 20 far 0 46 0 - 5.7-21.3 HB2 GLU 30 - HB3 MET 11 far 0 81 0 - 7.1-33.4 HG LEU 53 - HB VAL 20 far 0 35 0 - 8.6-33.8 HB3 LEU 49 - HB VAL 20 far 0 46 0 - 8.6-30.8 HB2 GLU 40 - HB VAL 20 far 0 33 0 - 9.6-34.2 Violated in 0 structures by 0.00 A. Peak 143 from aliabs.peaks (2.01, 2.01, 32.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 HB VAL 20 + HB VAL 20 OK 41 41 - 100 Peak 144 from aliabs.peaks (2.44, 2.01, 32.92 ppm; 4.90 A): 1 out of 5 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 GLU 55 - HB VAL 20 far 5 45 10 - 5.2-35.3 HG2 MET 11 - HB VAL 20 far 2 46 5 - 4.7-22.4 HG3 GLN 104 - HB3 MET 11 far 0 60 0 - 8.3-48.5 HG2 GLN 101 - HB VAL 20 far 0 35 0 - 9.6-38.4 Violated in 0 structures by 0.00 A. Peak 145 from aliabs.peaks (2.51, 2.01, 32.92 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 MET 11 - HB VAL 20 far 5 46 10 - 5.0-22.9 HG3 GLU 102 - HB VAL 20 far 0 46 0 - 6.2-41.0 HG3 GLU 44 - HB VAL 20 far 0 26 0 - 7.3-32.6 HB2 ASP 78 - HB3 MET 11 far 0 92 0 - 7.6-46.2 Violated in 0 structures by 0.00 A. Peak 148 from aliabs.peaks (4.41, 2.44, 31.62 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 100 100 2.0-3.9 130=100, 2.9/6069=61...(10) HA SER 107 - HG2 MET 11 far 0 68 0 - 9.7-54.5 Violated in 0 structures by 0.00 A. Peak 149 from aliabs.peaks (1.92, 2.44, 31.62 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 30 - HG2 MET 11 far 0 81 0 - 9.5-34.3 HB3 LEU 48 - HG2 MET 11 far 0 73 0 - 9.7-39.0 Violated in 0 structures by 0.00 A. Peak 150 from aliabs.peaks (2.01, 2.44, 31.62 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.5-3.0 2.9=100 QE MET 11 + HG2 MET 11 OK 92 92 100 100 2.1-3.4 3.3=100 HB VAL 20 - HG2 MET 11 far 5 96 5 - 4.7-22.4 HG2 PRO 58 - HG2 MET 11 far 0 93 0 - 5.6-46.5 Violated in 0 structures by 0.00 A. Peak 151 from aliabs.peaks (2.44, 2.44, 31.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 Peak 152 from aliabs.peaks (2.51, 2.44, 31.62 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 78 - HG2 MET 11 far 0 92 0 - 7.2-44.7 Violated in 0 structures by 0.00 A. Peak 155 from aliabs.peaks (4.41, 2.51, 31.62 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 100 100 2.1-4.2 4.0=100 Violated in 4 structures by 0.02 A. Peak 156 from aliabs.peaks (1.92, 2.51, 31.62 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 30 - HG3 MET 11 far 0 81 0 - 9.5-35.2 Violated in 0 structures by 0.00 A. Peak 157 from aliabs.peaks (2.01, 2.51, 31.62 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-2.9 2.9=100 QE MET 11 + HG3 MET 11 OK 92 92 100 100 2.2-3.4 3.3=100 HB VAL 20 - HG3 MET 11 far 5 96 5 - 5.0-22.9 HG2 PRO 58 - HG3 MET 11 far 0 93 0 - 7.3-47.3 HB3 GLU 30 - HG3 MET 11 far 0 100 0 - 9.8-35.9 Violated in 0 structures by 0.00 A. Peak 158 from aliabs.peaks (2.44, 2.51, 31.62 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 104 - HG3 MET 11 far 0 60 0 - 7.3-50.4 Violated in 0 structures by 0.00 A. Peak 159 from aliabs.peaks (2.51, 2.51, 31.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 Peak 162 from aliabs.peaks (4.28, 4.28, 52.53 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 12 + HA ALA 12 OK 100 100 - 100 HA ALA 110 + HA ALA 110 OK 95 95 - 100 HA ALA 15 + HA ALA 15 OK 92 92 - 100 HA ALA 16 + HA ALA 16 OK 90 90 - 100 HA ALA 109 + HA ALA 109 OK 84 84 - 100 HA ALA 21 + HA ALA 21 OK 82 82 - 100 HA ALA 108 + HA ALA 108 OK 79 79 - 100 Peak 163 from aliabs.peaks (1.36, 4.28, 52.53 ppm; 2.64 A): 7 out of 81 assignments used, quality = 1.00: * QB ALA 12 + HA ALA 12 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 21 + HA ALA 21 OK 78 78 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 69 69 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 67 67 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 62 62 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 48 48 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 23 68 75 45 3.7-4.3 3.7/6125=15, ~6122=9...(10) QB ALA 109 - HA ALA 110 poor 17 55 60 52 3.6-4.6 3.7/7572=16, ~7570=6...(16) QB ALA 110 - HA ALA 109 poor 15 60 50 49 3.8-5.0 2.9/7572=17, ~7571=6...(21) QB ALA 12 - HA ALA 16 far 14 94 15 - 2.9-10.8 QB ALA 108 - HA ALA 109 poor 12 66 70 27 3.6-4.9 7564/3.0=10, 2.9/7558=4...(6) QB ALA 12 - HA ALA 15 far 9 94 10 - 3.5-8.6 HG2 LYS 19 - HA ALA 15 far 9 88 10 - 2.8-13.4 QB ALA 109 - HA ALA 108 poor 8 45 65 28 3.7-4.9 ~7564=6, ~7566=6...(9) QB ALA 108 - HA ALA 110 far 7 74 10 - 3.8-7.1 HG2 LYS 24 - HA ALA 21 far 7 72 10 - 2.3-10.7 QB ALA 12 - HA ALA 21 far 4 87 5 - 3.5-16.2 QB ALA 21 - HA ALA 110 far 4 86 5 - 3.0-41.9 QB ALA 21 - HA ALA 109 far 4 78 5 - 2.9-40.6 QB ALA 21 - HA ALA 108 far 4 74 5 - 3.4-38.8 QB ALA 108 - HA ALA 21 far 3 66 5 - 3.3-36.5 QB ALA 110 - HA ALA 16 far 3 66 5 - 3.9-45.0 QB ALA 28 - HA ALA 21 far 3 56 5 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 78 0 - 4.2-9.3 QB ALA 28 - HA ALA 108 far 0 52 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 64 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 88 0 - 4.7-10.8 QB ALA 21 - HA ALA 16 far 0 85 0 - 4.9-12.4 HG3 LYS 31 - HA ALA 15 far 0 59 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 59 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 56 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 49 0 - 5.2-38.2 QB ALA 21 - HA ALA 15 far 0 86 0 - 5.4-13.1 HG2 LYS 19 - HA ALA 12 far 0 97 0 - 5.5-18.1 QB ALA 21 - HA ALA 12 far 0 95 0 - 5.6-17.0 QB ALA 29 - HA ALA 108 far 0 64 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 71 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 67 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 62 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 72 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 62 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 54 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 79 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 61 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 71 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 60 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 89 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 70 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 55 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 72 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 81 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 67 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 68 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 68 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 62 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 75 0 - 7.4-22.4 HG3 LYS 26 - HA ALA 108 far 0 58 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 54 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 69 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 70 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 62 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 62 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 49 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 80 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 71 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 79 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 89 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 62 0 - 8.0-45.2 HG3 LYS 31 - HA ALA 21 far 0 53 0 - 8.3-20.2 QB ALA 29 - HA ALA 109 far 0 68 0 - 8.6-23.4 QB ALA 15 - HA ALA 108 far 0 58 0 - 8.7-42.9 QB ALA 108 - HA ALA 16 far 0 73 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 76 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 95 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 76 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 77 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 49 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 80 0 - 9.8-43.7 QB ALA 46 - HA ALA 21 far 0 66 0 - 9.9-25.8 QB ALA 108 - HA ALA 15 far 0 73 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 68 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 166 from aliabs.peaks (4.28, 1.36, 18.89 ppm; 2.50 A): 2 out of 48 assignments used, quality = 1.00: * HA ALA 12 + QB ALA 12 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 21 + QB ALA 21 OK 76 76 100 100 2.1-2.1 2.1=100 HA LEU 22 - QB ALA 21 poor 15 61 25 - 3.8-4.6 HA ALA 16 - QB ALA 12 far 15 98 15 - 2.9-10.8 HA LYS 19 - QB ALA 21 poor 14 71 20 - 3.4-6.4 HA ALA 15 - QB ALA 12 far 10 99 10 - 3.5-8.6 HA GLN 61 - QB ALA 29 far 6 57 10 - 3.3-14.9 HA THR 18 - QB ALA 21 lone 6 81 40 17 2.2-8.0 10686=6, 3.0/10683=4...(5) HA THR 18 - QB ALA 12 far 5 100 5 - 3.6-12.4 HA ALA 21 - QB ALA 12 far 5 97 5 - 3.5-16.2 HA LYS 19 - QB ALA 12 far 5 93 5 - 3.4-15.1 HA ALA 110 - QB ALA 21 far 4 82 5 - 3.0-41.9 HA GLN 61 - QB ALA 21 far 4 80 5 - 3.6-25.2 HA ALA 109 - QB ALA 21 far 4 78 5 - 2.9-40.6 HA ALA 108 - QB ALA 21 far 4 78 5 - 3.4-38.8 HA THR 25 - QB ALA 29 far 0 57 0 - 4.2-10.8 HA LYS 31 - QB ALA 12 far 0 92 0 - 4.3-22.8 HA LYS 36 - QB ALA 21 far 0 82 0 - 4.3-27.9 HA GLN 61 - QB ALA 12 far 0 99 0 - 4.7-31.1 HA ARG 23 - QB ALA 21 far 0 79 0 - 4.8-7.4 HA ALA 16 - QB ALA 21 far 0 77 0 - 4.9-12.4 HA LYS 26 - QB ALA 29 far 0 46 0 - 5.0-9.8 HA THR 25 - QB ALA 12 far 0 100 0 - 5.1-18.5 HA SER 74 - QB ALA 29 far 0 58 0 - 5.1-17.1 HA TYR 76 - QB ALA 12 far 0 78 0 - 5.1-32.7 HA ALA 15 - QB ALA 21 far 0 80 0 - 5.4-13.1 HA THR 25 - QB ALA 21 far 0 80 0 - 5.5-11.6 HA ALA 12 - QB ALA 21 far 0 82 0 - 5.6-17.0 HA LYS 36 - QB ALA 29 far 0 58 0 - 5.6-13.8 HA ALA 108 - QB ALA 29 far 0 55 0 - 5.7-22.1 HA ARG 23 - QB ALA 29 far 0 56 0 - 5.9-12.4 HA LYS 31 - QB ALA 29 far 0 49 0 - 6.1-7.3 HA LYS 31 - QB ALA 21 far 0 70 0 - 6.9-19.5 HA LEU 22 - QB ALA 12 far 0 83 0 - 6.9-15.0 HA LEU 22 - QB ALA 29 far 0 42 0 - 7.0-15.2 HA LYS 26 - QB ALA 12 far 0 89 0 - 7.0-18.9 HA ALA 21 - QB ALA 29 far 0 54 0 - 7.1-16.4 HA ALA 15 - QB ALA 29 far 0 57 0 - 7.4-22.4 HB THR 115 - QB ALA 21 far 0 73 0 - 7.5-38.4 HA LYS 19 - QB ALA 29 far 0 50 0 - 8.0-19.1 HA LYS 26 - QB ALA 21 far 0 66 0 - 8.0-12.1 HA ARG 23 - QB ALA 12 far 0 99 0 - 8.0-14.5 HA THR 18 - QB ALA 29 far 0 58 0 - 8.1-20.6 HA ALA 109 - QB ALA 29 far 0 55 0 - 8.6-23.4 HA LYS 36 - QB ALA 12 far 0 100 0 - 9.0-27.7 HA ALA 110 - QB ALA 29 far 0 58 0 - 9.1-24.9 HA ALA 110 - QB ALA 12 far 0 100 0 - 9.1-47.9 HA TYR 76 - QB ALA 29 far 0 39 0 - 9.5-18.4 Violated in 0 structures by 0.00 A. Peak 167 from aliabs.peaks (1.36, 1.36, 18.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QB ALA 12 + QB ALA 12 OK 100 100 - 100 QB ALA 21 + QB ALA 21 OK 73 73 - 100 QB ALA 29 + QB ALA 29 OK 43 43 - 100 Peak 170 from aliabs.peaks (4.65, 4.65, 53.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 13 + HA ASN 13 OK 100 100 - 100 Peak 171 from aliabs.peaks (2.82, 4.65, 53.00 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 13 + HA ASN 13 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ASP 64 - HA ASN 13 far 0 92 0 - 9.6-34.2 Violated in 0 structures by 0.00 A. Peak 172 from aliabs.peaks (2.77, 4.65, 53.00 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 13 + HA ASN 13 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 ASP 64 - HA ASN 13 far 0 89 0 - 9.6-35.7 Violated in 0 structures by 0.00 A. Peak 177 from aliabs.peaks (4.65, 2.82, 38.56 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 13 + HB2 ASN 13 OK 100 100 100 100 2.2-3.0 3.0=100 HA PRO 56 - HB2 ASN 13 far 0 81 0 - 8.9-41.5 Violated in 0 structures by 0.00 A. Peak 178 from aliabs.peaks (2.82, 2.82, 38.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + HB2 ASN 13 OK 100 100 - 100 Peak 179 from aliabs.peaks (2.77, 2.82, 38.56 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + HB2 ASN 13 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 184 from aliabs.peaks (4.65, 2.77, 38.56 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 13 + HB3 ASN 13 OK 100 100 100 100 2.3-2.9 3.0=100 HA PRO 56 - HB3 ASN 13 far 0 81 0 - 9.9-42.2 Violated in 0 structures by 0.00 A. Peak 185 from aliabs.peaks (2.82, 2.77, 38.56 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 13 + HB3 ASN 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 64 - HB3 ASN 13 far 0 92 0 - 9.2-33.4 Violated in 0 structures by 0.00 A. Peak 186 from aliabs.peaks (2.77, 2.77, 38.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + HB3 ASN 13 OK 100 100 - 100 Peak 191 from aliabs.peaks (3.92, 3.92, 45.05 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 111 + HA2 GLY 111 OK 74 74 - 100 Peak 192 from aliabs.peaks (3.92, 3.92, 45.05 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 111 + HA2 GLY 111 OK 75 75 - 100 Reference assignment not found: HA3 GLY 14 - HA2 GLY 14 Peak 195 from aliabs.peaks (3.92, 3.92, 45.05 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA2 GLY 111 + HA2 GLY 111 OK 77 77 - 100 Reference assignment not found: HA2 GLY 14 - HA3 GLY 14 Peak 196 from aliabs.peaks (3.92, 3.92, 45.05 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA2 GLY 111 + HA2 GLY 111 OK 78 78 - 100 Peak 199 from aliabs.peaks (4.28, 4.28, 52.40 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 15 + HA ALA 15 OK 100 100 - 100 HA ALA 109 + HA ALA 109 OK 100 100 - 100 HA ALA 16 + HA ALA 16 OK 94 94 - 100 HA ALA 12 + HA ALA 12 OK 92 92 - 100 HA ALA 110 + HA ALA 110 OK 73 73 - 100 HA ALA 108 + HA ALA 108 OK 68 68 - 100 HA ALA 21 + HA ALA 21 OK 60 60 - 100 Peak 200 from aliabs.peaks (1.38, 4.28, 52.40 ppm; 2.79 A): 11 out of 80 assignments used, quality = 1.00: * QB ALA 15 + HA ALA 15 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 99 99 100 100 2.1-2.1 2.1=100 QB ALA 16 + HA ALA 16 OK 89 89 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 74 74 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 69 69 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 68 68 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 48 94 95 54 3.7-4.3 6124/3.0=21, ~6122=10...(10) QB ALA 110 + HA ALA 109 OK 32 100 55 58 3.8-5.0 2.9/7570=19, ~7571=7...(21) QB ALA 16 + HA ALA 15 OK 31 97 60 54 4.0-5.0 2.9/6125=19, ~6122=10...(16) QB ALA 109 + HA ALA 110 OK 30 72 70 60 3.6-4.6 7571/3.0=18, 7578/3.6=8...(20) QB ALA 108 + HA ALA 109 OK 26 100 80 32 3.6-4.9 7564/3.0=14, 2.9/7558=5...(9) QB ALA 109 - HA ALA 108 poor 16 66 70 35 3.7-4.9 ~7564=7, ~7566=7...(11) HG2 LYS 19 - HA ALA 15 far 14 97 15 - 2.8-13.4 QB ALA 16 - HA ALA 12 far 13 89 15 - 2.2-11.1 QB ALA 12 - HA ALA 15 far 12 78 15 - 3.5-8.6 QB ALA 108 - HA ALA 110 far 11 74 15 - 3.8-7.1 QB ALA 12 - HA ALA 16 far 10 69 15 - 2.9-10.8 HG2 LYS 24 - HA ALA 21 far 7 72 10 - 2.3-10.7 QB ALA 110 - HA ALA 16 far 5 94 5 - 3.9-45.0 QB ALA 15 - HA ALA 12 far 5 94 5 - 4.2-9.3 QB ALA 108 - HA ALA 21 far 4 73 5 - 3.3-36.5 QB ALA 28 - HA ALA 21 far 4 73 5 - 4.1-16.3 QB ALA 16 - HA ALA 110 far 3 69 5 - 3.4-42.4 QB ALA 12 - HA ALA 21 far 3 50 5 - 3.5-16.2 QB ALA 16 - HA ALA 21 far 0 68 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 67 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 73 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 88 0 - 4.7-10.8 HG3 LYS 31 - HA ALA 15 far 0 100 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 93 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 68 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 71 0 - 5.2-38.2 HG2 LYS 19 - HA ALA 12 far 0 88 0 - 5.5-18.1 QB ALA 29 - HA ALA 108 far 0 67 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 94 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 67 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 100 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 65 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 100 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 92 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 100 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 94 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 94 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 73 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 68 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 74 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 100 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 99 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 67 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 100 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 73 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 93 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 73 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 100 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 97 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 68 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 99 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 100 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 74 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 73 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 73 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 67 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 96 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 100 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 93 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 93 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 100 0 - 8.0-45.2 HG3 LYS 31 - HA ALA 21 far 0 73 0 - 8.3-20.2 QB ALA 29 - HA ALA 109 far 0 100 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 63 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 68 0 - 8.7-42.9 QB ALA 108 - HA ALA 16 far 0 94 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 73 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 51 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 62 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 70 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 67 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 73 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 100 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 94 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 203 from aliabs.peaks (4.28, 1.38, 19.04 ppm; 2.63 A): 8 out of 113 assignments used, quality = 1.00: * HA ALA 15 + QB ALA 15 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 109 + QB ALA 109 OK 97 97 100 100 2.1-2.1 2.1=100 HA ALA 108 + QB ALA 108 OK 97 97 100 100 2.1-2.1 2.1=100 HA ALA 110 + QB ALA 110 OK 97 97 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 16 OK 90 90 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 15 OK 33 100 70 48 3.7-4.3 3.0/6124=18, ~6122=9...(10) HA ALA 110 + QB ALA 109 OK 31 96 60 53 3.6-4.6 3.0/7573=16, 3.6/7578=7...(16) HA ALA 109 + QB ALA 110 OK 22 98 45 51 3.8-5.0 7570/2.9=17, ~7571=6...(17) HA ALA 109 - QB ALA 108 poor 19 97 70 28 3.6-4.9 3.0/7564=12, 7558/2.9=4...(6) HA ALA 108 - QB ALA 109 poor 19 97 65 29 3.7-4.9 ~7564=6, ~7566=6...(9) HA ALA 15 - QB ALA 16 poor 16 90 35 49 4.0-5.0 6125/2.9=17, ~6122=8...(13) HA ARG 23 - QB ALA 28 far 15 100 15 - 1.8-12.2 HA LYS 31 - QB ALA 15 far 15 98 15 - 1.9-22.8 HA THR 25 - QB ALA 28 far 14 96 15 - 3.4-8.5 HA GLN 61 - QB ALA 29 far 10 100 10 - 3.3-14.9 HA ALA 110 - QB ALA 108 far 10 96 10 - 3.8-7.1 HA LYS 26 - QB ALA 28 far 10 96 10 - 3.8-7.4 HB THR 115 - QB ALA 109 far 10 95 10 - 3.5-12.8 HA ALA 12 - QB ALA 16 far 9 88 10 - 2.2-11.1 HA THR 18 - QB ALA 15 far 5 100 5 - 3.8-9.2 HA LYS 19 - QB ALA 15 far 5 99 5 - 3.6-11.2 HA ARG 23 - QB ALA 109 far 5 97 5 - 2.2-33.4 HA ALA 16 - QB ALA 110 far 5 98 5 - 3.9-45.0 HA LYS 26 - QB ALA 110 far 5 93 5 - 3.4-31.5 HA LEU 22 - QB ALA 28 far 5 92 5 - 2.0-15.4 HA LYS 26 - QB ALA 109 far 5 92 5 - 4.0-28.9 HA ALA 21 - QB ALA 28 far 4 89 5 - 4.1-16.3 HA ALA 110 - QB ALA 16 far 4 89 5 - 3.4-42.4 HA LEU 22 - QB ALA 108 far 4 88 5 - 3.4-34.1 HA ALA 21 - QB ALA 108 far 4 85 5 - 3.3-36.5 HA THR 25 - QB ALA 29 far 0 95 0 - 4.2-10.8 HA ALA 12 - QB ALA 15 far 0 99 0 - 4.2-9.3 HA THR 18 - QB ALA 28 far 0 100 0 - 4.2-20.7 HA GLN 61 - QB ALA 108 far 0 97 0 - 4.2-16.5 HA ALA 21 - QB ALA 16 far 0 77 0 - 4.4-13.2 HA ALA 108 - QB ALA 28 far 0 100 0 - 4.4-24.8 HA THR 18 - QB ALA 110 far 0 98 0 - 4.4-44.9 HB THR 115 - QB ALA 110 far 0 96 0 - 4.5-11.4 HA LYS 31 - QB ALA 16 far 0 86 0 - 4.5-22.4 HA GLN 61 - QB ALA 28 far 0 100 0 - 4.5-19.9 HA THR 18 - QB ALA 16 far 0 90 0 - 4.7-7.3 HA LYS 26 - QB ALA 29 far 0 95 0 - 5.0-9.8 HA SER 74 - QB ALA 29 far 0 97 0 - 5.1-17.1 HA ALA 108 - QB ALA 110 far 0 98 0 - 5.2-7.7 HA ALA 21 - QB ALA 109 far 0 85 0 - 5.2-38.2 HA LYS 26 - QB ALA 108 far 0 92 0 - 5.2-27.3 HA ARG 23 - QB ALA 110 far 0 98 0 - 5.2-36.2 HA LYS 19 - QB ALA 28 far 0 98 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 97 0 - 5.5-7.8 HA ARG 23 - QB ALA 108 far 0 97 0 - 5.5-32.0 HA LYS 36 - QB ALA 29 far 0 99 0 - 5.6-13.8 HA LYS 26 - QB ALA 15 far 0 97 0 - 5.6-18.8 HA LYS 19 - QB ALA 16 far 0 87 0 - 5.7-9.7 HA ALA 108 - QB ALA 29 far 0 99 0 - 5.7-22.1 HA ALA 12 - QB ALA 28 far 0 99 0 - 5.7-22.6 HA THR 25 - QB ALA 109 far 0 92 0 - 5.8-29.6 HA ARG 23 - QB ALA 29 far 0 100 0 - 5.9-12.4 HA LEU 22 - QB ALA 109 far 0 88 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 97 0 - 6.1-7.3 HA ARG 23 - QB ALA 15 far 0 100 0 - 6.2-16.4 HA ALA 15 - QB ALA 28 far 0 100 0 - 6.2-22.3 HA ALA 16 - QB ALA 109 far 0 97 0 - 6.2-42.1 HA LYS 36 - QB ALA 16 far 0 89 0 - 6.4-29.0 HA ALA 16 - QB ALA 28 far 0 100 0 - 6.4-21.8 HA GLN 61 - QB ALA 109 far 0 97 0 - 6.4-17.7 HA GLN 61 - QB ALA 110 far 0 98 0 - 6.5-19.5 HA ALA 21 - QB ALA 110 far 0 86 0 - 6.5-41.1 HA SER 74 - QB ALA 28 far 0 97 0 - 6.6-22.0 HA ALA 110 - QB ALA 15 far 0 100 0 - 6.6-46.6 HA ALA 109 - QB ALA 28 far 0 100 0 - 6.7-26.0 HA LYS 19 - QB ALA 110 far 0 95 0 - 6.8-43.3 HA THR 25 - QB ALA 108 far 0 92 0 - 6.8-27.8 HA LYS 26 - QB ALA 16 far 0 84 0 - 6.9-18.9 HA LEU 22 - QB ALA 29 far 0 92 0 - 7.0-15.2 HA THR 18 - QB ALA 109 far 0 97 0 - 7.0-41.9 HA THR 25 - QB ALA 110 far 0 93 0 - 7.1-32.7 HA ALA 15 - QB ALA 110 far 0 98 0 - 7.1-47.6 HA ALA 21 - QB ALA 29 far 0 89 0 - 7.1-16.4 HA LEU 22 - QB ALA 110 far 0 89 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 93 0 - 7.3-14.9 HA TYR 76 - QB ALA 16 far 0 51 0 - 7.3-33.3 HA ALA 21 - QB ALA 15 far 0 90 0 - 7.3-13.0 HB THR 115 - QB ALA 108 far 0 95 0 - 7.4-14.5 HA ALA 15 - QB ALA 29 far 0 100 0 - 7.4-22.4 HA ALA 109 - QB ALA 16 far 0 90 0 - 7.5-41.2 HA ALA 15 - QB ALA 109 far 0 97 0 - 7.5-44.5 HA LYS 31 - QB ALA 108 far 0 94 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 95 0 - 7.8-40.6 HA ALA 110 - QB ALA 28 far 0 99 0 - 7.8-26.6 HA ARG 23 - QB ALA 16 far 0 90 0 - 7.8-14.6 HA THR 25 - QB ALA 15 far 0 97 0 - 7.8-18.5 HA THR 25 - QB ALA 16 far 0 84 0 - 7.9-18.9 HA LYS 19 - QB ALA 29 far 0 98 0 - 8.0-19.1 HA LEU 22 - QB ALA 16 far 0 80 0 - 8.0-13.8 HA ALA 109 - QB ALA 15 far 0 100 0 - 8.0-45.2 HA GLN 61 - QB ALA 15 far 0 100 0 - 8.1-30.8 HA THR 18 - QB ALA 29 far 0 99 0 - 8.1-20.6 HB THR 115 - QB ALA 16 far 0 88 0 - 8.2-40.0 HA THR 18 - QB ALA 108 far 0 97 0 - 8.4-40.4 HA LYS 36 - QB ALA 28 far 0 99 0 - 8.4-17.1 HA LYS 19 - QB ALA 108 far 0 95 0 - 8.5-39.5 HA LYS 36 - QB ALA 15 far 0 100 0 - 8.6-28.8 HA ALA 109 - QB ALA 29 far 0 99 0 - 8.6-23.4 HA ALA 108 - QB ALA 16 far 0 90 0 - 8.7-39.9 HA ALA 108 - QB ALA 15 far 0 100 0 - 8.7-42.9 HB THR 115 - QB ALA 15 far 0 99 0 - 9.0-43.9 HA ALA 16 - QB ALA 108 far 0 97 0 - 9.1-40.0 HA ALA 110 - QB ALA 29 far 0 99 0 - 9.1-24.9 HA GLN 61 - QB ALA 16 far 0 90 0 - 9.1-27.3 HA LYS 31 - QB ALA 109 far 0 94 0 - 9.1-27.0 HA TYR 76 - QB ALA 29 far 0 61 0 - 9.5-18.4 HA TYR 76 - QB ALA 15 far 0 63 0 - 9.8-36.0 HA ALA 15 - QB ALA 108 far 0 97 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 204 from aliabs.peaks (1.38, 1.38, 19.04 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * QB ALA 15 + QB ALA 15 OK 100 100 - 100 QB ALA 28 + QB ALA 28 OK 100 100 - 100 QB ALA 29 + QB ALA 29 OK 99 99 - 100 QB ALA 110 + QB ALA 110 OK 98 98 - 100 QB ALA 108 + QB ALA 108 OK 97 97 - 100 QB ALA 109 + QB ALA 109 OK 96 96 - 100 QB ALA 16 + QB ALA 16 OK 85 85 - 100 Peak 207 from aliabs.peaks (4.28, 4.28, 52.57 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 16 + HA ALA 16 OK 100 100 - 100 HA ALA 108 + HA ALA 108 OK 94 94 - 100 HA ALA 15 + HA ALA 15 OK 94 94 - 100 HA ALA 109 + HA ALA 109 OK 90 90 - 100 HA ALA 12 + HA ALA 12 OK 90 90 - 100 HA ALA 110 + HA ALA 110 OK 88 88 - 100 HA ALA 21 + HA ALA 21 OK 40 40 - 100 Peak 208 from aliabs.peaks (1.39, 4.28, 52.57 ppm; 2.50 A): 6 out of 79 assignments used, quality = 1.00: * QB ALA 16 + HA ALA 16 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 89 89 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 89 89 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 87 87 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 87 87 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 23 97 55 43 3.7-4.3 6124/3.0=16, ~6122=7...(8) QB ALA 109 - HA ALA 110 poor 18 90 20 - 3.6-4.6 QB ALA 16 - HA ALA 15 far 14 94 15 - 4.0-5.0 QB ALA 110 - HA ALA 109 poor 14 86 35 46 3.8-5.0 2.9/7570=15, ~7571=5...(17) QB ALA 109 - HA ALA 108 poor 13 93 50 27 3.7-4.9 ~7564=5, ~7566=5, 211=4...(7) QB ALA 16 - HA ALA 12 far 9 94 10 - 2.2-11.1 QB ALA 108 - HA ALA 109 poor 9 83 45 25 3.6-4.9 7566/3.0=11, 2.9/7558=4...(6) HG2 LYS 19 - HA ALA 15 far 7 71 10 - 2.8-13.4 QB ALA 110 - HA ALA 16 far 5 98 5 - 3.9-45.0 QB ALA 16 - HA ALA 110 far 5 91 5 - 3.4-42.4 HG2 LYS 24 - HA ALA 21 far 5 45 10 - 2.3-10.7 QB ALA 108 - HA ALA 110 far 4 83 5 - 3.8-7.1 QB ALA 108 - HA ALA 21 far 2 48 5 - 3.3-36.5 QB ALA 34 - HA ALA 16 far 0 76 0 - 4.1-26.6 QB ALA 28 - HA ALA 21 far 0 52 0 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 89 0 - 4.2-9.3 QB ALA 16 - HA ALA 21 far 0 55 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 92 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 49 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 81 0 - 4.7-10.8 HG3 LYS 31 - HA ALA 15 far 0 92 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 99 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 90 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 54 0 - 5.2-38.2 HG2 LYS 19 - HA ALA 12 far 0 71 0 - 5.5-18.1 QB ALA 29 - HA ALA 108 far 0 85 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 91 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 82 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 85 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 77 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 92 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 100 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 83 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 99 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 97 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 51 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 68 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 86 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 88 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 78 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 38 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 90 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 47 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 92 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 50 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 86 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 90 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 89 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 93 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 89 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 86 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 88 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 50 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 92 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 67 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 88 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 92 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 82 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 85 0 - 8.0-45.2 QB ALA 34 - HA ALA 15 far 0 67 0 - 8.2-28.1 HG3 LYS 31 - HA ALA 21 far 0 53 0 - 8.3-20.2 QB ALA 34 - HA ALA 21 far 0 35 0 - 8.6-24.2 QB ALA 29 - HA ALA 109 far 0 81 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 94 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 89 0 - 8.7-42.9 QB ALA 34 - HA ALA 12 far 0 66 0 - 9.0-30.3 QB ALA 108 - HA ALA 16 far 0 96 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 82 0 - 9.1-24.9 HG2 LYS 19 - HA ALA 108 far 0 71 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 42 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 92 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 79 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 87 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 97 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 211 from aliabs.peaks (4.28, 1.39, 19.11 ppm; 2.67 A): 10 out of 116 assignments used, quality = 1.00: * HA ALA 16 + QB ALA 16 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 109 + QB ALA 109 OK 99 99 100 100 2.1-2.1 2.1=100 HA ALA 110 + QB ALA 110 OK 90 90 100 100 2.1-2.1 2.1=100 HA ALA 15 + QB ALA 15 OK 90 90 100 100 2.1-2.1 2.1=100 HA ALA 108 + QB ALA 108 OK 86 86 100 100 2.1-2.1 2.1=100 HA ALA 110 + QB ALA 109 OK 35 97 65 55 3.6-4.6 3.0/7571=17, 3.6/7578=7...(16) HA ALA 16 + QB ALA 15 OK 33 90 75 48 3.7-4.3 3.0/6124=18, ~6122=9...(9) HA ALA 109 + QB ALA 110 OK 24 93 50 52 3.8-5.0 7570/2.9=17, ~7571=6...(17) HA ALA 15 + QB ALA 16 OK 22 100 45 50 4.0-5.0 6125/2.9=17, ~6122=9...(15) HA ALA 108 + QB ALA 109 OK 22 99 70 32 3.7-4.9 ~7564=6, ~7566=6...(10) HA THR 25 - QB ALA 28 poor 17 86 20 - 3.4-8.5 HA ALA 109 - QB ALA 108 poor 17 86 70 28 3.6-4.9 3.0/7566=12, 7558/2.9=4...(6) HA GLN 27 - QB ALA 28 poor 16 53 30 - 3.8-5.0 HA ARG 23 - QB ALA 28 far 14 96 15 - 1.8-12.2 HA LYS 31 - QB ALA 15 far 13 88 15 - 1.9-22.8 HA ALA 110 - QB ALA 108 far 12 83 15 - 3.8-7.1 HB THR 115 - QB ALA 109 far 10 99 10 - 3.5-12.8 HA ALA 12 - QB ALA 16 far 10 98 10 - 2.2-11.1 HA LYS 26 - QB ALA 28 far 9 93 10 - 3.8-7.4 HA GLN 61 - QB ALA 29 far 8 79 10 - 3.3-14.9 HA ARG 23 - QB ALA 109 far 5 99 5 - 2.2-33.4 HA ALA 110 - QB ALA 16 far 5 99 5 - 3.4-42.4 HA LYS 26 - QB ALA 109 far 5 97 5 - 4.0-28.9 HA ALA 16 - QB ALA 110 far 5 93 5 - 3.9-45.0 HA LYS 26 - QB ALA 110 far 5 90 5 - 3.4-31.5 HA LEU 22 - QB ALA 28 far 4 90 5 - 2.0-15.4 HA LYS 19 - QB ALA 15 far 4 89 5 - 3.6-11.2 HA THR 18 - QB ALA 15 far 4 89 5 - 3.8-9.2 HA LEU 22 - QB ALA 108 far 4 80 5 - 3.4-34.1 HA ALA 21 - QB ALA 28 far 4 77 5 - 4.1-16.3 HA THR 25 - QB ALA 29 far 3 69 5 - 4.2-10.8 HA ALA 21 - QB ALA 108 far 3 67 5 - 3.3-36.5 HA GLN 27 - QB ALA 29 far 2 41 5 - 4.1-7.7 HA ALA 12 - QB ALA 15 far 0 86 0 - 4.2-9.3 HA THR 18 - QB ALA 28 far 0 95 0 - 4.2-20.7 HA GLN 61 - QB ALA 108 far 0 86 0 - 4.2-16.5 HA ALA 21 - QB ALA 16 far 0 85 0 - 4.4-13.2 HA ALA 108 - QB ALA 28 far 0 96 0 - 4.4-24.8 HA GLN 27 - QB ALA 108 far 0 45 0 - 4.4-26.4 HA THR 18 - QB ALA 110 far 0 92 0 - 4.4-44.9 HB THR 115 - QB ALA 110 far 0 93 0 - 4.5-11.4 HA LYS 31 - QB ALA 16 far 0 99 0 - 4.5-22.4 HA GLN 61 - QB ALA 28 far 0 95 0 - 4.5-19.9 HA THR 18 - QB ALA 16 far 0 100 0 - 4.7-7.3 HA GLN 27 - QB ALA 110 far 0 51 0 - 4.7-30.1 HA LYS 26 - QB ALA 29 far 0 76 0 - 5.0-9.8 HA SER 74 - QB ALA 29 far 0 72 0 - 5.1-17.1 HA ALA 108 - QB ALA 110 far 0 93 0 - 5.2-7.7 HA ALA 21 - QB ALA 109 far 0 83 0 - 5.2-38.2 HA LYS 26 - QB ALA 108 far 0 83 0 - 5.2-27.3 HA ARG 23 - QB ALA 110 far 0 93 0 - 5.2-36.2 HA LYS 19 - QB ALA 28 far 0 95 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 94 0 - 5.5-7.8 HA ARG 23 - QB ALA 108 far 0 86 0 - 5.5-32.0 HA LYS 36 - QB ALA 29 far 0 76 0 - 5.6-13.8 HA LYS 26 - QB ALA 15 far 0 87 0 - 5.6-18.8 HA LYS 19 - QB ALA 16 far 0 100 0 - 5.7-9.7 HA ALA 108 - QB ALA 29 far 0 80 0 - 5.7-22.1 HA ALA 12 - QB ALA 28 far 0 92 0 - 5.7-22.6 HA THR 25 - QB ALA 109 far 0 91 0 - 5.8-29.6 HA ARG 23 - QB ALA 29 far 0 80 0 - 5.9-12.4 HA LEU 22 - QB ALA 109 far 0 95 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 78 0 - 6.1-7.3 HA ARG 23 - QB ALA 15 far 0 90 0 - 6.2-16.4 HA ALA 15 - QB ALA 28 far 0 95 0 - 6.2-22.3 HA ALA 16 - QB ALA 109 far 0 99 0 - 6.2-42.1 HA LYS 36 - QB ALA 16 far 0 99 0 - 6.4-29.0 HA ALA 16 - QB ALA 28 far 0 96 0 - 6.4-21.8 HA GLN 61 - QB ALA 109 far 0 99 0 - 6.4-17.7 HA GLN 61 - QB ALA 110 far 0 93 0 - 6.5-19.5 HA ALA 21 - QB ALA 110 far 0 75 0 - 6.5-41.1 HA SER 74 - QB ALA 28 far 0 89 0 - 6.6-22.0 HA ALA 110 - QB ALA 15 far 0 87 0 - 6.6-46.6 HA ALA 109 - QB ALA 28 far 0 96 0 - 6.7-26.0 HA LYS 19 - QB ALA 110 far 0 92 0 - 6.8-43.3 HA THR 25 - QB ALA 108 far 0 76 0 - 6.8-27.8 HA LYS 26 - QB ALA 16 far 0 99 0 - 6.9-18.9 HA GLN 27 - QB ALA 109 far 0 58 0 - 6.9-28.3 HA LEU 22 - QB ALA 29 far 0 73 0 - 7.0-15.2 HA THR 18 - QB ALA 109 far 0 99 0 - 7.0-41.9 HA THR 25 - QB ALA 110 far 0 83 0 - 7.1-32.7 HA ALA 15 - QB ALA 110 far 0 93 0 - 7.1-47.6 HA ALA 21 - QB ALA 29 far 0 61 0 - 7.1-16.4 HA LEU 22 - QB ALA 110 far 0 87 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 84 0 - 7.3-14.9 HA ALA 21 - QB ALA 15 far 0 71 0 - 7.3-13.0 HB THR 115 - QB ALA 108 far 0 85 0 - 7.4-14.5 HA ALA 15 - QB ALA 29 far 0 79 0 - 7.4-22.4 HA ALA 109 - QB ALA 16 far 0 100 0 - 7.5-41.2 HA ALA 15 - QB ALA 109 far 0 99 0 - 7.5-44.5 HA LYS 31 - QB ALA 108 far 0 84 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 99 0 - 7.8-40.6 HA ALA 110 - QB ALA 28 far 0 93 0 - 7.8-26.6 HA ARG 23 - QB ALA 16 far 0 100 0 - 7.8-14.6 HA THR 25 - QB ALA 15 far 0 80 0 - 7.8-18.5 HA THR 25 - QB ALA 16 far 0 93 0 - 7.9-18.9 HA LYS 19 - QB ALA 29 far 0 78 0 - 8.0-19.1 HA LEU 22 - QB ALA 16 far 0 97 0 - 8.0-13.8 HA ALA 109 - QB ALA 15 far 0 90 0 - 8.0-45.2 HA GLN 61 - QB ALA 15 far 0 90 0 - 8.1-30.8 HA THR 18 - QB ALA 29 far 0 78 0 - 8.1-20.6 HB THR 115 - QB ALA 16 far 0 100 0 - 8.2-40.0 HA THR 18 - QB ALA 108 far 0 85 0 - 8.4-40.4 HA LYS 36 - QB ALA 28 far 0 93 0 - 8.4-17.1 HA LYS 19 - QB ALA 108 far 0 85 0 - 8.5-39.5 HA LYS 36 - QB ALA 15 far 0 87 0 - 8.6-28.8 HA ALA 109 - QB ALA 29 far 0 80 0 - 8.6-23.4 HA ALA 108 - QB ALA 16 far 0 100 0 - 8.7-39.9 HA ALA 108 - QB ALA 15 far 0 90 0 - 8.7-42.9 HB THR 115 - QB ALA 15 far 0 89 0 - 9.0-43.9 HA ALA 16 - QB ALA 108 far 0 86 0 - 9.1-40.0 HA ALA 110 - QB ALA 29 far 0 76 0 - 9.1-24.9 HA GLN 61 - QB ALA 16 far 0 100 0 - 9.1-27.3 HA LYS 31 - QB ALA 109 far 0 98 0 - 9.1-27.0 HA GLN 27 - QB ALA 15 far 0 49 0 - 9.4-19.7 HA ALA 15 - QB ALA 108 far 0 86 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 212 from aliabs.peaks (1.39, 1.39, 19.11 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * QB ALA 16 + QB ALA 16 OK 100 100 - 100 QB ALA 109 + QB ALA 109 OK 99 99 - 100 QB ALA 28 + QB ALA 28 OK 93 93 - 100 QB ALA 110 + QB ALA 110 OK 89 89 - 100 QB ALA 15 + QB ALA 15 OK 85 85 - 100 QB ALA 108 + QB ALA 108 OK 78 78 - 100 QB ALA 29 + QB ALA 29 OK 71 71 - 100 Peak 215 from aliabs.peaks (3.95, 3.95, 45.05 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA2 GLY 17 + HA2 GLY 17 OK 100 100 - 100 HA3 GLY 17 + HA3 GLY 17 OK 97 97 - 100 HA3 GLY 111 + HA3 GLY 111 OK 96 96 - 100 Peak 216 from aliabs.peaks (3.96, 3.95, 45.05 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA2 GLY 17 + HA2 GLY 17 OK 99 99 - 100 HA3 GLY 17 + HA3 GLY 17 OK 98 98 - 100 HA3 GLY 111 + HA3 GLY 111 OK 91 91 - 100 Reference assignment not found: HA3 GLY 17 - HA2 GLY 17 Peak 219 from aliabs.peaks (3.95, 3.96, 45.05 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HA3 GLY 17 + HA3 GLY 17 OK 99 99 - 100 HA2 GLY 17 + HA2 GLY 17 OK 98 98 - 100 HA3 GLY 111 + HA3 GLY 111 OK 84 84 - 100 Reference assignment not found: HA2 GLY 17 - HA3 GLY 17 Peak 220 from aliabs.peaks (3.96, 3.96, 45.05 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA3 GLY 17 + HA3 GLY 17 OK 100 100 - 100 HA2 GLY 17 + HA2 GLY 17 OK 97 97 - 100 HA3 GLY 111 + HA3 GLY 111 OK 78 78 - 100 Peak 223 from aliabs.peaks (4.28, 4.28, 61.69 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA THR 18 + HA THR 18 OK 100 100 - 100 HA THR 25 + HA THR 25 OK 73 73 - 100 HA SER 74 + HA SER 74 OK 66 66 - 100 Peak 224 from aliabs.peaks (4.18, 4.28, 61.69 ppm; 6.12 A): 2 out of 7 assignments used, quality = 1.00: * HB THR 18 + HA THR 18 OK 100 100 100 100 2.9-3.0 3.0=100 HB THR 25 + HA THR 25 OK 74 74 100 100 2.4-2.9 3.0=100 HB THR 18 - HA THR 25 far 4 77 5 - 7.1-20.0 HA VAL 105 - HA THR 25 far 4 76 5 - 6.3-31.7 HB THR 25 - HA THR 18 far 0 99 0 - 8.0-18.8 HA LEU 53 - HA THR 25 far 0 77 0 - 8.9-24.9 HA HIS 67 - HA SER 74 far 0 39 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 225 from aliabs.peaks (1.17, 4.28, 61.69 ppm; 5.57 A): 3 out of 15 assignments used, quality = 1.00: * QG2 THR 18 + HA THR 18 OK 100 100 100 100 2.0-2.9 3.2=100 QG2 THR 25 + HA THR 25 OK 70 70 100 100 2.1-3.0 3.2=100 QG2 VAL 77 + HA SER 74 OK 44 48 100 93 3.5-6.0 2.1/11188=49, ~11187=39...(14) HG12 ILE 32 - HA THR 25 poor 18 71 25 - 2.3-14.1 QB ALA 41 - HA THR 25 far 11 71 15 - 3.3-21.4 QG2 THR 18 - HA THR 25 far 8 77 10 - 5.6-16.2 QB ALA 41 - HA THR 18 far 5 97 5 - 5.7-28.5 HG12 ILE 32 - HA THR 18 far 5 97 5 - 6.8-25.1 HG12 ILE 32 - HA SER 74 far 3 62 5 - 6.4-19.2 QG2 THR 25 - HA THR 18 far 0 96 0 - 7.1-15.4 QG2 VAL 132 - HA SER 74 far 0 41 0 - 7.6-10.2 HG3 LYS 39 - HA THR 18 far 0 100 0 - 8.6-40.0 HG3 LYS 39 - HA THR 25 far 0 76 0 - 9.4-30.5 HB3 LEU 62 - HA THR 25 far 0 53 0 - 9.5-23.4 HB3 LEU 62 - HA THR 18 far 0 78 0 - 9.8-37.6 Violated in 0 structures by 0.00 A. Peak 228 from aliabs.peaks (4.28, 4.18, 69.56 ppm; 2.70 A): 2 out of 33 assignments used, quality = 0.99: * HA THR 18 + HB THR 18 OK 95 100 100 95 2.9-3.0 3.0=71, 3.0/6140=37...(12) HA THR 25 + HB THR 25 OK 83 86 100 97 2.4-2.9 3.0=71, 581/2.1=45...(13) HA ALA 15 - HB THR 18 far 15 100 15 - 3.5-10.3 HA ALA 12 - HB THR 18 far 10 100 10 - 3.6-16.0 HA LYS 19 - HB THR 18 far 10 97 10 - 4.0-5.1 HA GLN 61 - HB THR 25 far 5 90 5 - 1.9-26.7 HA ARG 23 - HB THR 25 far 4 90 5 - 4.0-9.0 HA LYS 26 - HB THR 25 far 4 81 5 - 3.9-5.5 HA LYS 19 - HB THR 25 far 0 85 0 - 4.3-18.9 HA ALA 108 - HB THR 25 far 0 89 0 - 4.7-32.8 HA ALA 21 - HB THR 25 far 0 80 0 - 4.8-13.5 HA ALA 16 - HB THR 18 far 0 100 0 - 4.8-8.7 HA LYS 31 - HB THR 18 far 0 97 0 - 5.3-27.2 HA LEU 22 - HB THR 25 far 0 77 0 - 5.5-11.5 HA LYS 36 - HB THR 18 far 0 100 0 - 5.6-37.9 HA ALA 21 - HB THR 18 far 0 93 0 - 5.7-9.4 HA ARG 23 - HB THR 18 far 0 100 0 - 5.9-14.4 HA LYS 31 - HB THR 25 far 0 84 0 - 6.1-16.1 HA ALA 110 - HB THR 18 far 0 100 0 - 6.2-55.3 HA TYR 76 - HB THR 18 far 0 68 0 - 6.4-37.0 HA ALA 109 - HB THR 18 far 0 100 0 - 6.5-54.1 HA ALA 15 - HB THR 25 far 0 90 0 - 6.6-24.3 HA ALA 12 - HB THR 25 far 0 89 0 - 6.9-24.9 HA GLN 61 - HB THR 18 far 0 100 0 - 6.9-34.8 HA LEU 22 - HB THR 18 far 0 90 0 - 7.0-12.5 HA THR 25 - HB THR 18 far 0 98 0 - 7.1-20.0 HA LYS 36 - HB THR 25 far 0 90 0 - 7.3-28.2 HA ALA 109 - HB THR 25 far 0 89 0 - 7.7-35.1 HA THR 18 - HB THR 25 far 0 90 0 - 8.0-18.8 HA ALA 110 - HB THR 25 far 0 90 0 - 8.6-36.6 HA ALA 16 - HB THR 25 far 0 89 0 - 8.8-22.8 HA LYS 26 - HB THR 18 far 0 95 0 - 9.0-20.6 HA ALA 108 - HB THR 18 far 0 100 0 - 9.3-51.9 Violated in 0 structures by 0.00 A. Peak 229 from aliabs.peaks (4.18, 4.18, 69.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 18 + HB THR 18 OK 100 100 - 100 HB THR 25 + HB THR 25 OK 87 87 - 100 Peak 230 from aliabs.peaks (1.17, 4.18, 69.56 ppm; 2.51 A): 2 out of 10 assignments used, quality = 1.00: * QG2 THR 18 + HB THR 18 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 25 + HB THR 25 OK 83 83 100 100 2.1-2.1 2.1=100 HG12 ILE 32 - HB THR 25 far 0 84 0 - 4.3-16.3 QB ALA 41 - HB THR 25 far 0 84 0 - 5.3-22.6 QG2 THR 18 - HB THR 25 far 0 90 0 - 5.4-17.5 QG2 THR 25 - HB THR 18 far 0 96 0 - 6.0-17.6 HB3 LEU 62 - HB THR 25 far 0 65 0 - 7.6-23.4 QB ALA 41 - HB THR 18 far 0 97 0 - 7.9-29.5 HB3 LEU 62 - HB THR 18 far 0 78 0 - 8.4-39.6 HG12 ILE 32 - HB THR 18 far 0 97 0 - 8.7-26.1 Violated in 0 structures by 0.00 A. Peak 233 from aliabs.peaks (4.28, 1.17, 21.31 ppm; 2.81 A): 3 out of 33 assignments used, quality = 1.00: * HA THR 18 + QG2 THR 18 OK 94 100 100 94 2.0-2.9 3.2=67, 3.0/6141=40...(10) HA THR 25 + QG2 THR 25 OK 80 82 100 97 2.1-3.0 581=76, 3.0/6242=40...(11) HA LYS 19 + QG2 THR 18 OK 67 97 85 81 2.8-4.4 3.0/10697=23...(17) HA LYS 26 - QG2 THR 25 poor 18 78 30 76 2.9-5.6 2.9/6248=33, ~6247=17...(15) HA ALA 15 - QG2 THR 18 far 10 100 10 - 3.7-10.5 HA LYS 31 - QG2 THR 18 far 5 97 5 - 3.6-23.3 HA GLN 61 - QG2 THR 25 far 4 86 5 - 2.0-22.8 HA ALA 15 - QG2 THR 25 far 4 86 5 - 3.7-20.6 HA ARG 23 - QG2 THR 25 far 4 86 5 - 3.2-6.8 HA ALA 108 - QG2 THR 25 far 4 86 5 - 3.7-27.9 HA LYS 31 - QG2 THR 25 far 4 80 5 - 3.7-12.0 HA ALA 21 - QG2 THR 25 far 4 76 5 - 2.1-11.4 HA LEU 22 - QG2 THR 25 far 4 73 5 - 3.3-9.5 HA ALA 12 - QG2 THR 18 lone 1 100 35 2 3.7-14.2 HA LYS 19 - QG2 THR 25 far 0 81 0 - 4.6-15.1 HA LYS 36 - QG2 THR 25 far 0 86 0 - 4.7-22.7 HA ALA 12 - QG2 THR 25 far 0 86 0 - 4.7-20.5 HA GLN 61 - QG2 THR 18 far 0 100 0 - 5.0-28.0 HA LYS 36 - QG2 THR 18 far 0 100 0 - 5.2-32.6 HA TYR 76 - QG2 THR 18 far 0 68 0 - 5.4-31.7 HA ALA 16 - QG2 THR 18 far 0 100 0 - 5.5-8.6 HA ALA 110 - QG2 THR 18 far 0 100 0 - 5.6-45.3 HA THR 25 - QG2 THR 18 far 0 98 0 - 5.6-16.2 HA ARG 23 - QG2 THR 18 far 0 100 0 - 5.6-11.8 HA LEU 22 - QG2 THR 18 far 0 90 0 - 5.7-9.8 HA ALA 21 - QG2 THR 18 far 0 93 0 - 5.7-7.7 HA ALA 16 - QG2 THR 25 far 0 85 0 - 6.4-18.9 HA ALA 109 - QG2 THR 25 far 0 86 0 - 6.8-29.8 HA ALA 109 - QG2 THR 18 far 0 100 0 - 6.9-44.2 HA THR 18 - QG2 THR 25 far 0 87 0 - 7.1-15.4 HA LYS 26 - QG2 THR 18 far 0 95 0 - 7.1-17.1 HA ALA 110 - QG2 THR 25 far 0 86 0 - 8.5-31.3 HA ALA 108 - QG2 THR 18 far 0 100 0 - 8.6-42.6 Violated in 0 structures by 0.00 A. Peak 234 from aliabs.peaks (4.18, 1.17, 21.31 ppm; 2.50 A): 2 out of 8 assignments used, quality = 1.00: * HB THR 18 + QG2 THR 18 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 25 + QG2 THR 25 OK 83 83 100 100 2.1-2.1 2.1=100 HB THR 25 - QG2 THR 18 far 0 99 0 - 5.4-17.5 HB THR 18 - QG2 THR 25 far 0 87 0 - 6.0-17.6 HA VAL 105 - QG2 THR 25 far 0 86 0 - 7.1-26.2 HA LEU 53 - QG2 THR 25 far 0 86 0 - 7.6-21.9 HA HIS 67 - QG2 THR 25 far 0 53 0 - 8.4-17.0 HA LEU 53 - QG2 THR 18 far 0 100 0 - 8.7-33.6 Violated in 0 structures by 0.00 A. Peak 235 from aliabs.peaks (1.17, 1.17, 21.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 THR 18 + QG2 THR 18 OK 100 100 - 100 QG2 THR 25 + QG2 THR 25 OK 79 79 - 100 Peak 238 from aliabs.peaks (4.27, 4.27, 56.26 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HA LYS 19 + HA LYS 19 OK 100 100 - 100 HA LYS 31 + HA LYS 31 OK 100 100 - 100 HA LYS 26 + HA LYS 26 OK 99 99 - 100 HA ARG 23 + HA ARG 23 OK 61 61 - 100 HA LYS 36 + HA LYS 36 OK 47 47 - 100 Peak 239 from aliabs.peaks (1.74, 4.27, 56.26 ppm; 3.81 A): 6 out of 28 assignments used, quality = 1.00: * HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 23 + HA ARG 23 OK 59 59 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HA LYS 26 OK 34 100 40 85 2.0-13.6 4.6/798=7, 800=6...(86) HB2 LYS 26 + HA LYS 31 OK 22 100 25 89 4.1-14.6 809/6342=13, 799/3.0=8...(108) HB2 LYS 24 - HA ARG 23 poor 19 63 30 - 4.9-6.5 HB2 LYS 26 - HA ARG 23 poor 16 63 25 - 2.1-11.0 HB2 LYS 24 - HA LYS 19 poor 13 100 30 43 2.2-13.5 2.9/822=4, 2.9/241=4...(22) HB2 ARG 23 - HA LYS 26 far 10 97 10 - 4.3-10.5 HB2 LYS 19 - HA ARG 23 far 10 63 15 - 4.8-14.4 HB2 LYS 31 - HA ARG 23 far 6 63 10 - 4.7-18.9 HB2 LYS 19 - HA LYS 31 far 5 100 5 - 2.8-25.6 HB2 LYS 26 - HA LYS 19 far 5 100 5 - 5.3-21.5 HB2 LYS 19 - HA LYS 26 far 5 100 5 - 3.8-20.4 HB2 LYS 24 - HA LYS 36 far 3 54 5 - 4.8-29.5 HB2 ARG 23 - HA LYS 36 far 3 50 5 - 3.7-27.0 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 5.4-8.8 HB2 LYS 31 - HA LYS 19 far 0 100 0 - 5.5-26.5 HB2 ARG 23 - HA LYS 19 far 0 98 0 - 6.0-11.8 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 6.3-18.8 HB2 LYS 26 - HA LYS 36 far 0 54 0 - 6.4-25.4 HB2 ARG 23 - HA LYS 31 far 0 98 0 - 6.6-20.9 HB2 LYS 31 - HA LYS 36 far 0 54 0 - 8.0-15.2 HB2 LYS 39 - HA LYS 36 far 0 40 0 - 8.0-12.5 HB2 LYS 19 - HA LYS 36 far 0 54 0 - 8.1-34.9 HB2 LYS 39 - HA LYS 19 far 0 85 0 - 8.4-39.1 HG LEU 100 - HA LYS 26 far 0 56 0 - 9.3-21.3 Violated in 0 structures by 0.00 A. Peak 240 from aliabs.peaks (1.81, 4.27, 56.26 ppm; 3.64 A): 7 out of 43 assignments used, quality = 1.00: * HB3 LYS 19 + HA LYS 19 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 LYS 31 + HA LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HA LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HB3 ARG 23 + HA ARG 23 OK 58 58 100 100 2.3-3.0 3.0=100 HB2 LYS 36 + HA LYS 36 OK 50 50 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HA LYS 26 OK 30 99 40 77 2.7-15.0 4.6/798=7, 1.8/790=6...(52) HB3 LYS 26 + HA LYS 31 OK 21 98 25 85 4.4-15.8 820/6342=7, 6332/3.0=6...(108) HB3 LYS 26 - HA ARG 23 poor 18 60 30 - 2.0-11.3 HB3 LYS 24 - HA ARG 23 poor 16 61 40 65 4.4-6.2 4.1/6212=43...(11) HB ILE 32 - HA LYS 31 far 15 100 15 - 5.1-6.1 HB3 ARG 23 - HA LYS 26 far 14 95 15 - 4.4-10.8 HB3 LYS 24 - HA LYS 19 poor 14 99 35 39 2.0-13.2 2.9/822=4, 2.9/241=3...(17) HB ILE 32 - HA LYS 36 poor 13 53 25 - 3.6-10.5 HB3 LYS 19 - HA ARG 23 far 10 63 15 - 4.3-14.0 HB3 LYS 19 - HA LYS 31 far 5 100 5 - 4.5-26.9 HB3 LYS 31 - HA LYS 19 far 5 100 5 - 3.9-25.7 HB3 LYS 19 - HA LYS 26 far 5 100 5 - 5.0-20.0 HB ILE 32 - HA LYS 26 far 5 99 5 - 4.8-15.1 HB3 LYS 31 - HA ARG 23 far 3 62 5 - 4.2-18.6 HB3 LYS 24 - HA LYS 36 far 3 52 5 - 4.3-28.6 HB3 ARG 23 - HA LYS 36 far 2 49 5 - 4.0-26.9 HB2 LYS 36 - HA LYS 31 far 0 97 0 - 5.5-14.2 HB3 LYS 26 - HA LYS 19 far 0 99 0 - 5.6-21.5 HB3 ARG 23 - HA LYS 19 far 0 97 0 - 5.9-12.8 HB3 LYS 24 - HA LYS 26 far 0 98 0 - 6.1-8.8 HB2 LEU 48 - HA LYS 26 far 0 61 0 - 6.1-27.4 HB2 LYS 36 - HA ARG 23 far 0 59 0 - 6.5-28.2 HB3 LYS 31 - HA LYS 36 far 0 53 0 - 6.7-16.3 HB3 LYS 26 - HA LYS 36 far 0 51 0 - 6.9-25.7 HB3 ARG 23 - HA LYS 31 far 0 96 0 - 7.1-20.6 HB2 LYS 36 - HA LYS 26 far 0 96 0 - 7.2-24.7 HB3 LEU 98 - HA ARG 23 far 0 39 0 - 7.3-34.7 HB3 LYS 24 - HA LYS 31 far 0 99 0 - 7.6-18.1 HB2 LEU 48 - HA LYS 19 far 0 63 0 - 7.7-34.9 HB ILE 32 - HA ARG 23 far 0 63 0 - 7.7-18.8 HB2 LYS 36 - HA LYS 19 far 0 97 0 - 7.9-35.2 HB2 LEU 48 - HA LYS 36 far 0 27 0 - 8.4-17.7 HB2 CYS 79 - HA LYS 36 far 0 34 0 - 8.5-17.2 HB2 CYS 79 - HA LYS 19 far 0 76 0 - 8.5-37.3 HB3 LYS 19 - HA LYS 36 far 0 54 0 - 8.6-35.4 HB2 LEU 48 - HA ARG 23 far 0 33 0 - 8.7-27.8 HB3 LEU 103 - HA LYS 26 far 0 92 0 - 8.8-25.1 HB3 LEU 98 - HA LYS 26 far 0 72 0 - 9.6-29.2 Violated in 0 structures by 0.00 A. Peak 241 from aliabs.peaks (1.37, 4.27, 56.26 ppm; 3.57 A): 6 out of 67 assignments used, quality = 1.00: * HG2 LYS 19 + HA LYS 19 OK 98 100 100 98 2.3-3.7 4.2=63, 6151/3.0=44...(41) HG3 LYS 26 + HA LYS 26 OK 94 95 100 99 2.6-3.9 4.0=68, 6253/2.9=47...(31) HG3 LYS 31 + HA LYS 31 OK 89 91 100 98 2.0-4.2 3.8=82, 1.8/822=23...(22) HG2 LYS 36 + HA LYS 36 OK 49 50 100 99 2.3-3.8 4.1=64, 6394/3.0=52...(31) QB ALA 28 + HA LYS 26 OK 22 92 40 60 3.8-7.4 6265/3.6=21, ~10769=19...(10) HG2 LYS 24 + HA LYS 19 OK 22 99 35 62 2.2-15.3 1.8/822=5, 271=5, ~281=2...(46) HG3 LYS 26 - HA ARG 23 poor 17 58 30 - 2.4-10.6 QB ALA 21 - HA LYS 19 poor 17 73 75 31 3.4-6.4 6163/3.6=13, 2.9/6180=9...(5) HG3 LYS 31 - HA LYS 26 poor 17 91 25 74 2.3-14.5 1.8/822=5, 3.0/790=5...(43) HG2 LYS 24 - HA ARG 23 poor 15 62 35 71 4.1-6.9 6222/6212=53...(11) QB ALA 12 - HA LYS 19 far 14 97 15 - 3.4-15.1 QB ALA 15 - HA LYS 31 far 14 96 15 - 1.9-22.8 HG3 LYS 26 - HA LYS 31 far 14 96 15 - 4.5-16.0 QB ALA 28 - HA ARG 23 poor 11 54 20 - 1.8-12.2 HG2 LYS 19 - HA LYS 31 far 5 100 5 - 4.9-26.6 HG2 LYS 24 - HA LYS 26 far 5 99 5 - 4.2-10.1 QB ALA 29 - HA LYS 26 far 5 98 5 - 5.0-9.8 HG3 LYS 26 - HA LYS 36 far 5 49 10 - 4.9-27.4 QB ALA 15 - HA LYS 19 far 5 97 5 - 3.6-11.2 QB ALA 12 - HA LYS 31 far 5 96 5 - 4.3-22.8 QB ALA 110 - HA LYS 26 far 5 94 5 - 3.4-31.5 QB ALA 109 - HA LYS 26 far 4 87 5 - 4.0-28.9 QB ALA 16 - HA LYS 31 far 4 80 5 - 4.5-22.4 QB ALA 21 - HA LYS 36 far 3 33 10 - 4.3-27.9 QB ALA 109 - HA ARG 23 far 3 50 5 - 2.2-33.4 QB ALA 21 - HA ARG 23 far 2 39 5 - 4.8-7.4 HG3 LYS 31 - HA ARG 23 far 0 53 0 - 5.1-16.2 QB ALA 108 - HA LYS 26 far 0 97 0 - 5.2-27.3 QB ALA 110 - HA ARG 23 far 0 57 0 - 5.2-36.2 QB ALA 28 - HA LYS 19 far 0 93 0 - 5.3-19.3 QB ALA 28 - HA LYS 31 far 0 93 0 - 5.5-7.8 HG3 LYS 31 - HA LYS 19 far 0 92 0 - 5.5-23.5 QB ALA 108 - HA ARG 23 far 0 59 0 - 5.5-32.0 HB2 LEU 42 - HA LYS 36 far 0 53 0 - 5.6-11.0 QB ALA 29 - HA LYS 36 far 0 51 0 - 5.6-13.8 QB ALA 15 - HA LYS 26 far 0 95 0 - 5.6-18.8 QB ALA 16 - HA LYS 19 far 0 81 0 - 5.7-9.7 QB ALA 29 - HA ARG 23 far 0 60 0 - 5.9-12.4 HG3 LYS 31 - HA LYS 36 far 0 45 0 - 5.9-16.7 QB ALA 29 - HA LYS 31 far 0 98 0 - 6.1-7.3 QB ALA 15 - HA ARG 23 far 0 58 0 - 6.2-16.4 HG2 LYS 19 - HA LYS 26 far 0 100 0 - 6.3-22.3 QB ALA 16 - HA LYS 36 far 0 37 0 - 6.4-29.0 HG2 LYS 19 - HA ARG 23 far 0 63 0 - 6.4-16.2 HG2 LYS 36 - HA LYS 19 far 0 97 0 - 6.5-33.1 HG2 LYS 24 - HA LYS 31 far 0 99 0 - 6.7-19.6 QB ALA 110 - HA LYS 19 far 0 96 0 - 6.8-43.3 QB ALA 16 - HA LYS 26 far 0 79 0 - 6.9-18.9 QB ALA 21 - HA LYS 31 far 0 73 0 - 6.9-19.5 HG2 LYS 24 - HA LYS 36 far 0 52 0 - 7.0-29.4 QB ALA 12 - HA LYS 26 far 0 95 0 - 7.0-18.9 HG2 LYS 36 - HA LYS 31 far 0 97 0 - 7.1-11.7 HG2 LYS 36 - HA LYS 26 far 0 96 0 - 7.4-22.3 HG2 LYS 19 - HA LYS 36 far 0 54 0 - 7.5-37.3 QB ALA 108 - HA LYS 31 far 0 98 0 - 7.7-25.8 QB ALA 109 - HA LYS 19 far 0 89 0 - 7.8-40.6 QB ALA 16 - HA ARG 23 far 0 44 0 - 7.8-14.6 QB ALA 29 - HA LYS 19 far 0 99 0 - 8.0-19.1 HG3 LYS 26 - HA LYS 19 far 0 97 0 - 8.0-21.2 QB ALA 21 - HA LYS 26 far 0 72 0 - 8.0-12.1 QB ALA 12 - HA ARG 23 far 0 58 0 - 8.0-14.5 HG2 LYS 36 - HA ARG 23 far 0 59 0 - 8.2-26.0 QB ALA 28 - HA LYS 36 far 0 46 0 - 8.4-17.1 QB ALA 108 - HA LYS 19 far 0 98 0 - 8.5-39.5 QB ALA 15 - HA LYS 36 far 0 49 0 - 8.6-28.8 QB ALA 12 - HA LYS 36 far 0 49 0 - 9.0-27.7 QB ALA 109 - HA LYS 31 far 0 88 0 - 9.1-27.0 Violated in 0 structures by 0.00 A. Peak 242 from aliabs.peaks (1.44, 4.27, 56.26 ppm; 4.15 A): 7 out of 34 assignments used, quality = 1.00: * HG3 LYS 19 + HA LYS 19 OK 99 100 100 99 2.6-4.0 4.2=99 HG2 LYS 26 + HA LYS 26 OK 98 98 100 100 2.3-4.1 4.0=100 HG2 LYS 31 + HA LYS 31 OK 84 84 100 100 2.1-4.2 3.8=100 HG13 ILE 32 + HA LYS 31 OK 52 98 55 97 4.2-6.8 919/6342=75, 6333/3.0=24...(22) HG3 LYS 36 + HA LYS 36 OK 37 37 100 100 3.0-4.2 4.1=100 HG3 LYS 24 + HA LYS 19 OK 26 97 40 66 1.9-15.2 282=6, 1.8/271=5...(20) HG2 LYS 31 + HA LYS 26 OK 24 83 35 84 3.2-15.5 3.0/790=6, 822=6...(62) HG13 ILE 32 - HA LYS 26 poor 18 97 30 63 3.0-13.3 2.1/10753=13...(18) HG2 LYS 26 - HA ARG 23 poor 18 61 30 - 1.9-10.9 HG2 LYS 26 - HA LYS 31 far 15 99 15 - 4.3-17.0 HG3 LYS 24 - HA ARG 23 poor 12 59 20 - 4.1-7.1 HG3 LYS 19 - HA LYS 31 far 5 100 5 - 4.9-27.9 HG3 LYS 19 - HA LYS 26 far 5 100 5 - 5.3-21.7 HG3 LYS 24 - HA LYS 26 far 5 96 5 - 5.5-9.6 HG2 LYS 31 - HA ARG 23 far 5 47 10 - 3.9-16.8 HG3 LYS 36 - HA LYS 31 far 4 80 5 - 5.5-12.3 HG2 LYS 26 - HA LYS 36 far 3 52 5 - 4.1-27.7 HG13 ILE 32 - HA LYS 36 far 3 50 5 - 5.2-12.3 HG2 LYS 31 - HA LYS 36 far 2 40 5 - 5.4-17.1 HG2 LYS 31 - HA LYS 19 far 0 85 0 - 5.8-24.5 HG3 LYS 36 - HA LYS 26 far 0 79 0 - 5.8-22.9 QB ALA 34 - HA LYS 36 far 0 34 0 - 6.0-6.7 HG3 LYS 24 - HA LYS 31 far 0 97 0 - 6.1-18.0 HG13 ILE 32 - HA ARG 23 far 0 59 0 - 6.1-16.7 HG3 LYS 36 - HA ARG 23 far 0 44 0 - 6.5-26.4 HG3 LYS 19 - HA ARG 23 far 0 63 0 - 6.5-15.5 HG3 LYS 36 - HA LYS 19 far 0 81 0 - 6.6-33.2 HG3 LYS 24 - HA LYS 36 far 0 50 0 - 6.7-27.7 QB ALA 34 - HA LYS 26 far 0 74 0 - 6.9-19.1 HG2 LYS 26 - HA LYS 19 far 0 99 0 - 7.6-22.5 QB ALA 34 - HA LYS 31 far 0 75 0 - 7.9-10.1 HG3 LYS 19 - HA LYS 36 far 0 54 0 - 8.1-37.0 QB ALA 34 - HA ARG 23 far 0 41 0 - 8.6-23.1 HG13 ILE 32 - HA LYS 19 far 0 98 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 243 from aliabs.peaks (1.65, 4.27, 56.26 ppm; 4.53 A): 14 out of 60 assignments used, quality = 1.00: * HD2 LYS 19 + HA LYS 19 OK 99 100 100 99 2.0-4.5 5.2=67, ~6151=32...(43) HD3 LYS 19 + HA LYS 19 OK 99 100 100 99 2.0-4.8 5.2=67, ~6151=32...(43) HD2 LYS 31 + HA LYS 31 OK 99 99 100 99 2.0-5.4 5.2=66, ~6332=31...(37) HD3 LYS 31 + HA LYS 31 OK 98 98 100 99 2.0-4.9 5.2=66, ~6332=31...(37) HD2 LYS 26 + HA LYS 26 OK 97 97 100 100 2.1-5.4 5.0=75, ~6252=39...(33) HD3 LYS 26 + HA LYS 26 OK 94 94 100 100 2.1-5.1 5.0=75, ~6252=39...(33) HD3 LYS 36 + HA LYS 36 OK 49 49 100 100 3.0-5.3 5.3=63, 1042/3.0=39...(33) HD2 LYS 36 + HA LYS 36 OK 48 48 100 100 3.5-5.3 5.3=63, 1042/3.0=38...(33) HD3 LYS 24 + HA LYS 19 OK 35 100 40 88 2.2-14.1 3.0/822=6, 3.0/241=5...(89) HD3 LYS 26 + HA LYS 31 OK 33 95 35 99 4.2-17.5 6336/3.0=6, 3.5/790=4...(188) HD2 LYS 24 + HA LYS 19 OK 31 97 35 92 3.3-14.3 3.0/822=6, 3.0/241=5...(125) HD3 LYS 31 + HA LYS 26 OK 28 98 30 96 4.2-13.7 3.5/790=7, 2.9/822=6...(162) HD2 LYS 31 + HA LYS 26 OK 28 99 30 94 2.5-14.0 3.5/790=7, 2.9/822=6...(130) HD2 LYS 26 + HA LYS 31 OK 24 98 25 99 4.7-17.2 6336/3.0=6, ~6336=5...(194) HG LEU 22 - HA LYS 19 poor 20 60 60 55 2.6-10.7 2.1/409=18, 2.1/401=9...(14) HD2 LYS 26 - HA ARG 23 poor 17 59 50 58 3.1-12.9 6237/6240=3, 3938/3.8=3...(17) HD2 LYS 24 - HA ARG 23 poor 17 58 30 - 3.9-8.4 HD3 LYS 24 - HA ARG 23 poor 15 63 35 67 3.5-8.6 5.9/6212=34, ~821=7...(19) HD3 LYS 26 - HA ARG 23 poor 15 57 40 64 3.6-13.1 11449/4.9=11...(17) HD2 LYS 36 - HA LYS 31 far 14 95 15 - 4.5-11.5 HG LEU 22 - HA ARG 23 poor 6 31 20 - 5.4-6.6 HD2 LYS 26 - HA LYS 36 far 5 50 10 - 4.9-28.2 HD2 LYS 19 - HA LYS 31 far 5 100 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 5 100 5 - 3.5-28.9 HD3 LYS 24 - HA LYS 26 far 5 99 5 - 4.6-10.7 HD3 LYS 36 - HA LYS 31 far 5 96 5 - 5.5-11.8 HD3 LYS 26 - HA LYS 36 far 5 48 10 - 5.8-27.5 HD2 LYS 24 - HA LYS 26 far 5 95 5 - 6.0-10.6 HB2 LEU 98 - HA ARG 23 far 3 63 5 - 5.9-35.9 HD2 LYS 31 - HA ARG 23 far 3 62 5 - 5.6-16.4 HD2 LYS 24 - HA LYS 36 far 2 49 5 - 6.0-27.3 HD3 LYS 19 - HA ARG 23 far 0 63 0 - 6.1-16.1 HD3 LYS 31 - HA ARG 23 far 0 60 0 - 6.2-17.8 HD3 LYS 26 - HA LYS 19 far 0 96 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 52 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 100 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 53 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 7.0-22.3 HD2 LYS 19 - HA ARG 23 far 0 63 0 - 7.0-14.4 HD2 LYS 36 - HA LYS 26 far 0 94 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 54 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 95 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 99 0 - 7.4-24.1 HD3 LYS 36 - HA ARG 23 far 0 58 0 - 7.6-24.8 HD2 LYS 36 - HA ARG 23 far 0 57 0 - 7.6-24.0 HD3 LYS 24 - HA LYS 36 far 0 53 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 51 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 98 0 - 7.7-20.2 HG LEU 22 - HA LYS 31 far 0 60 0 - 7.8-23.7 HD2 LYS 24 - HA LYS 31 far 0 96 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 100 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 99 0 - 7.8-30.2 HG LEU 22 - HA LYS 36 far 0 26 0 - 7.9-33.9 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 26 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 97 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 96 0 - 9.1-31.0 HG LEU 22 - HA LYS 26 far 0 59 0 - 9.3-13.8 HB2 LEU 69 - HA LYS 31 far 0 100 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 54 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 244 from aliabs.peaks (1.65, 4.27, 56.26 ppm; 4.52 A): 16 out of 64 assignments used, quality = 1.00: * HD3 LYS 19 + HA LYS 19 OK 99 100 100 99 2.0-4.8 5.2=67, ~6151=31...(43) HD2 LYS 19 + HA LYS 19 OK 99 100 100 99 2.0-4.5 5.2=67, ~6151=31...(43) HD2 LYS 31 + HA LYS 31 OK 98 99 100 99 2.0-5.4 5.2=65, ~6332=31...(37) HD3 LYS 31 + HA LYS 31 OK 97 97 100 99 2.0-4.9 5.2=65, ~6332=31...(37) HD2 LYS 26 + HA LYS 26 OK 95 95 100 99 2.1-5.4 5.0=75, ~6252=39...(33) HD3 LYS 26 + HA LYS 26 OK 91 92 100 99 2.1-5.1 5.0=75, ~6252=39...(33) HD3 LYS 36 + HA LYS 36 OK 47 47 100 100 3.0-5.3 5.3=63, ~6395=38...(33) HD2 LYS 36 + HA LYS 36 OK 46 46 100 100 3.5-5.3 5.3=63, ~6395=38...(33) HD3 LYS 24 + HA LYS 19 OK 35 100 40 88 2.2-14.1 3.0/822=6, 3.0/241=4...(89) HG3 ARG 23 + HA ARG 23 OK 33 33 100 100 2.9-4.1 3.8=100 HD3 LYS 26 + HA LYS 31 OK 32 93 35 99 4.2-17.5 6336/3.0=6, 3.5/790=4...(188) HD2 LYS 24 + HA LYS 19 OK 30 95 35 92 3.3-14.3 3.0/822=6, 3.0/241=4...(125) HD2 LYS 31 + HA LYS 26 OK 28 98 30 94 2.5-14.0 3.5/790=7, 2.9/822=6...(129) HD3 LYS 31 + HA LYS 26 OK 28 96 30 96 4.2-13.7 3.5/790=7, 2.9/822=6...(161) HD2 LYS 26 + HA LYS 31 OK 24 96 25 99 4.7-17.2 6336/3.0=6, ~6336=5...(194) HG LEU 22 + HA LYS 19 OK 22 65 60 55 2.6-10.7 2.1/409=18, 2.1/401=9...(14) HD2 LYS 26 - HA ARG 23 poor 17 58 50 58 3.1-12.9 6237/6240=3, 3938/3.8=3...(17) HD2 LYS 24 - HA ARG 23 poor 17 55 30 - 3.9-8.4 HD3 LYS 24 - HA ARG 23 poor 14 62 35 67 3.5-8.6 5.9/6212=34, ~821=7...(19) HD2 LYS 36 - HA LYS 31 far 14 93 15 - 4.5-11.5 HD3 LYS 26 - HA ARG 23 poor 14 54 40 64 3.6-13.1 11449/4.9=11...(17) HG LEU 22 - HA ARG 23 poor 7 34 20 - 5.4-6.6 HD2 LYS 19 - HA LYS 31 far 5 100 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 5 100 5 - 3.5-28.9 HD3 LYS 24 - HA LYS 26 far 5 99 5 - 4.6-10.7 HD2 LYS 26 - HA LYS 36 far 5 49 10 - 4.9-28.2 HD3 LYS 36 - HA LYS 31 far 5 94 5 - 5.5-11.8 HD2 LYS 24 - HA LYS 26 far 5 93 5 - 6.0-10.6 HD3 LYS 26 - HA LYS 36 far 5 46 10 - 5.8-27.5 HB2 LEU 98 - HA ARG 23 far 3 63 5 - 5.9-35.9 HG3 ARG 23 - HA LYS 19 far 3 63 5 - 5.1-11.2 HG3 ARG 23 - HA LYS 26 far 3 61 5 - 5.9-12.3 HD2 LYS 31 - HA ARG 23 far 3 61 5 - 5.6-16.4 HD2 LYS 24 - HA LYS 36 far 2 47 5 - 6.0-27.3 HG3 ARG 23 - HA LYS 36 far 1 27 5 - 5.1-28.6 HD3 LYS 19 - HA ARG 23 far 0 63 0 - 6.1-16.1 HD3 LYS 31 - HA ARG 23 far 0 59 0 - 6.2-17.8 HD3 LYS 26 - HA LYS 19 far 0 93 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 53 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 100 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 52 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 100 0 - 7.0-22.3 HD2 LYS 19 - HA ARG 23 far 0 63 0 - 7.0-14.4 HD2 LYS 36 - HA LYS 26 far 0 92 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 54 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 93 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 97 0 - 7.4-24.1 HD3 LYS 36 - HA ARG 23 far 0 55 0 - 7.6-24.8 HD2 LYS 36 - HA ARG 23 far 0 54 0 - 7.6-24.0 HD3 LYS 24 - HA LYS 36 far 0 53 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 50 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 97 0 - 7.7-20.2 HG LEU 22 - HA LYS 31 far 0 65 0 - 7.8-23.7 HD2 LYS 24 - HA LYS 31 far 0 94 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 99 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 100 0 - 7.8-30.2 HG3 ARG 23 - HA LYS 31 far 0 62 0 - 7.8-22.1 HG LEU 22 - HA LYS 36 far 0 29 0 - 7.9-33.9 HD3 LYS 24 - HA LYS 31 far 0 99 0 - 8.4-19.1 HD3 LYS 36 - HA LYS 19 far 0 95 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 93 0 - 9.1-31.0 HG LEU 22 - HA LYS 26 far 0 64 0 - 9.3-13.8 HB2 LEU 69 - HA LYS 31 far 0 100 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 54 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 249 from aliabs.peaks (4.27, 1.74, 32.58 ppm; 3.35 A): 6 out of 71 assignments used, quality = 1.00: * HA LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLN 27 + HB2 LYS 26 OK 61 73 90 93 3.8-5.8 3.0/6262=54, ~6263=30...(23) HA THR 25 + HB2 LYS 24 OK 40 85 50 93 3.9-6.1 3.0/6232=44, ~6233=25...(24) HA LYS 26 + HB2 LYS 31 OK 24 100 40 59 2.0-13.6 595=7, 798/4.6=5...(36) HA LYS 31 - HB2 LYS 26 poor 20 100 20 - 4.1-14.6 HA LEU 22 - HB2 LYS 24 poor 20 99 20 - 3.7-8.4 HA THR 25 - HB2 LYS 26 far 13 84 15 - 4.4-6.5 HA ALA 16 - HB2 LYS 19 far 10 100 10 - 2.8-10.3 HA ARG 23 - HB2 LYS 19 far 10 99 10 - 4.8-14.4 HA ALA 15 - HB2 LYS 19 far 10 99 10 - 2.0-12.9 HA THR 18 - HB2 LYS 19 far 10 97 10 - 4.6-6.1 HA THR 18 - HB2 LYS 24 far 10 97 10 - 3.7-15.2 HA THR 25 - HB2 LYS 31 far 8 84 10 - 2.3-14.6 HA ALA 21 - HB2 LYS 24 far 7 73 10 - 3.8-10.8 HA LYS 19 - HB2 LYS 24 poor 7 100 30 22 2.2-13.5 822/2.9=3, 241/2.9=3...(8) HA LYS 31 - HB2 LYS 19 far 5 100 5 - 2.8-25.6 HA LYS 26 - HB2 LYS 19 far 5 100 5 - 3.8-20.4 HA ALA 16 - HB2 LYS 31 far 5 99 5 - 4.0-25.6 HA ARG 23 - HB2 LYS 31 far 5 99 5 - 4.7-18.9 HA GLN 61 - HB2 LYS 26 far 5 98 5 - 3.8-23.1 HA ALA 15 - HB2 LYS 31 far 5 98 5 - 4.3-23.9 HA THR 18 - HB2 LYS 31 far 5 97 5 - 4.4-25.6 HA LYS 36 - HB2 LYS 24 far 5 94 5 - 4.8-29.5 HA THR 25 - HB2 LYS 19 far 4 85 5 - 4.7-19.1 HA GLN 27 - HB2 LYS 24 far 4 73 5 - 4.6-11.1 HA ARG 23 - HB2 LYS 26 lone 3 99 25 13 2.1-11.0 424/6250=4, 6240/500=2...(5) HA ARG 23 - HB2 LYS 24 far 0 99 0 - 4.9-6.5 HA ALA 12 - HB2 LYS 19 far 0 93 0 - 5.3-18.5 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 5.3-21.5 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 5.4-8.8 HA ALA 110 - HB2 LYS 19 far 0 95 0 - 5.5-52.4 HA LYS 19 - HB2 LYS 31 far 0 100 0 - 5.5-26.5 HA ALA 28 - HB2 LYS 19 far 0 65 0 - 5.5-21.8 HA ALA 28 - HB2 LYS 26 far 0 65 0 - 5.6-8.0 HA GLN 27 - HB2 LYS 31 far 0 73 0 - 5.8-10.8 HA ALA 16 - HB2 LYS 24 far 0 100 0 - 5.9-18.1 HA ALA 109 - HB2 LYS 26 far 0 99 0 - 6.0-33.0 HA ALA 21 - HB2 LYS 19 far 0 73 0 - 6.0-8.4 HA ALA 21 - HB2 LYS 39 far 0 34 0 - 6.2-35.5 HA ALA 108 - HB2 LYS 26 far 0 99 0 - 6.2-31.7 HA GLN 61 - HB2 LYS 24 far 0 99 0 - 6.2-24.2 HA LYS 31 - HB2 LYS 24 far 0 100 0 - 6.3-18.8 HA LYS 36 - HB2 LYS 26 far 0 94 0 - 6.4-25.4 HA ALA 108 - HB2 LYS 24 far 0 99 0 - 6.4-38.3 HA ALA 15 - HB2 LYS 24 far 0 99 0 - 6.4-20.1 HA THR 18 - HB2 LYS 39 far 0 51 0 - 6.6-39.0 HA ALA 28 - HB2 LYS 24 far 0 65 0 - 6.6-12.7 HA ALA 28 - HB2 LYS 31 far 0 65 0 - 6.9-10.2 HA ALA 21 - HB2 LYS 26 far 0 73 0 - 6.9-15.5 HA LEU 22 - HB2 LYS 26 far 0 99 0 - 7.0-13.1 HA ALA 12 - HB2 LYS 31 far 0 93 0 - 7.0-25.5 HA ALA 21 - HB2 LYS 31 far 0 73 0 - 7.4-20.3 HA ALA 110 - HB2 LYS 26 far 0 94 0 - 7.5-34.3 HA GLN 61 - HB2 LYS 31 far 0 98 0 - 7.7-22.8 HA LEU 22 - HB2 LYS 19 far 0 99 0 - 7.8-10.4 HA ALA 12 - HB2 LYS 24 far 0 93 0 - 7.8-22.2 HA GLN 27 - HB2 LYS 19 far 0 73 0 - 7.8-21.0 HA ALA 15 - HB2 LYS 26 far 0 98 0 - 7.9-25.3 HA LYS 36 - HB2 LYS 31 far 0 94 0 - 8.0-15.2 HA LYS 36 - HB2 LYS 39 far 0 48 0 - 8.0-12.5 HA LYS 36 - HB2 LYS 19 far 0 95 0 - 8.1-34.9 HA THR 18 - HB2 LYS 26 far 0 97 0 - 8.2-20.4 HA ALA 109 - HB2 LYS 24 far 0 99 0 - 8.3-40.7 HA LYS 19 - HB2 LYS 39 far 0 55 0 - 8.4-39.1 HA LEU 22 - HB2 LYS 31 far 0 99 0 - 8.7-20.5 HA ALA 108 - HB2 LYS 19 far 0 99 0 - 9.0-49.4 HA ALA 109 - HB2 LYS 19 far 0 99 0 - 9.2-51.5 HA LEU 22 - HB2 LYS 39 far 0 53 0 - 9.9-31.8 HA SER 74 - HB2 LYS 31 far 0 88 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 250 from aliabs.peaks (1.74, 1.74, 32.58 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 41 41 - 100 Peak 251 from aliabs.peaks (1.81, 1.74, 32.58 ppm; 2.50 A): 4 out of 39 assignments used, quality = 1.00: * HB3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 26 + HB2 LYS 26 OK 98 98 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB2 LYS 24 far 15 100 15 - 1.9-15.0 HB3 ARG 23 - HB2 LYS 26 far 14 96 15 - 2.2-12.8 HB3 LYS 31 - HB2 LYS 26 poor 14 99 35 41 1.9-14.9 6332/799=3, 503=3...(26) HB3 LYS 26 - HB2 LYS 31 poor 9 98 25 38 2.0-14.1 6332/6331=3, 3.0/639=2...(11) HB3 LYS 31 - HB2 LYS 19 far 5 100 5 - 1.9-25.4 HB3 LYS 26 - HB2 LYS 19 far 5 99 5 - 3.6-22.7 HB2 LYS 36 - HB2 LYS 24 far 5 97 5 - 3.3-29.5 HB3 LYS 24 - HB2 LYS 19 far 0 99 0 - 4.0-14.4 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 4.3-15.5 HB3 LYS 19 - HB2 LYS 26 far 0 100 0 - 4.5-22.1 HB3 LYS 24 - HB2 LYS 26 far 0 99 0 - 4.7-10.3 HB3 LYS 19 - HB2 LYS 31 far 0 100 0 - 4.8-27.2 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 4.9-18.1 HB2 LYS 36 - HB2 LYS 26 far 0 97 0 - 5.0-25.1 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 5.1-20.1 HB3 ARG 23 - HB2 LYS 24 far 0 96 0 - 5.2-7.4 HB3 LYS 26 - HB2 LYS 24 far 0 99 0 - 5.2-10.9 HB2 LEU 48 - HB2 LYS 19 far 0 63 0 - 5.3-34.0 HB3 ARG 23 - HB2 LYS 31 far 0 96 0 - 5.4-20.6 HB ILE 32 - HB2 LYS 31 far 0 100 0 - 5.5-7.0 HB3 LEU 98 - HB2 LYS 24 far 0 73 0 - 5.6-33.1 HB2 LEU 48 - HB2 LYS 26 far 0 62 0 - 5.7-26.4 HB2 CYS 79 - HB2 LYS 39 far 0 35 0 - 5.7-8.9 HB3 ARG 23 - HB2 LYS 19 far 0 97 0 - 6.1-14.6 HB3 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.1-18.4 HB2 LYS 36 - HB2 LYS 31 far 0 97 0 - 6.2-14.4 HB2 LEU 48 - HB2 LYS 24 far 0 63 0 - 7.0-28.9 HB3 LEU 103 - HB2 LYS 26 far 0 93 0 - 7.8-23.4 HB3 LEU 98 - HB2 LYS 26 far 0 73 0 - 8.1-28.2 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 8.3-25.2 HB3 ARG 135 - HB2 LYS 39 far 0 50 0 - 8.4-15.3 HB2 LEU 100 - HB2 LYS 26 far 0 91 0 - 8.8-21.4 HB2 LYS 36 - HB2 LYS 19 far 0 97 0 - 9.5-34.1 HB2 CYS 79 - HB2 LYS 19 far 0 76 0 - 9.5-37.6 HB2 LEU 48 - HB2 LYS 31 far 0 62 0 - 9.6-23.6 Violated in 0 structures by 0.00 A. Peak 252 from aliabs.peaks (1.37, 1.74, 32.58 ppm; 3.49 A): 5 out of 63 assignments used, quality = 1.00: * HG2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HB2 LYS 31 OK 91 91 100 100 2.4-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 31 OK 33 96 40 85 2.0-14.6 639=8, 1.8/628=6...(63) HG2 LYS 19 - HB2 LYS 24 poor 20 100 20 - 3.4-16.9 HG2 LYS 24 - HB2 LYS 19 poor 20 99 20 - 3.7-16.8 QB ALA 28 - HB2 LYS 24 poor 19 93 20 - 3.6-11.7 QB ALA 12 - HB2 LYS 19 far 14 97 15 - 3.2-16.2 QB ALA 15 - HB2 LYS 19 far 14 97 15 - 3.2-11.8 QB ALA 15 - HB2 LYS 31 far 14 96 15 - 2.9-21.5 HG3 LYS 31 - HB2 LYS 26 far 14 91 15 - 3.1-14.0 QB ALA 16 - HB2 LYS 19 far 12 81 15 - 4.3-10.2 QB ALA 28 - HB2 LYS 31 far 9 93 10 - 3.9-8.1 HG3 LYS 31 - HB2 LYS 19 far 9 92 10 - 2.7-23.1 HG3 LYS 31 - HB2 LYS 24 far 9 92 10 - 3.7-17.1 HG2 LYS 24 - HB2 LYS 26 far 5 99 5 - 2.2-11.2 QB ALA 29 - HB2 LYS 24 far 5 99 5 - 4.1-11.9 QB ALA 108 - HB2 LYS 24 far 5 98 5 - 4.3-30.9 QB ALA 108 - HB2 LYS 26 far 5 98 5 - 4.5-25.6 HG2 LYS 36 - HB2 LYS 24 far 5 97 5 - 4.2-27.3 QB ALA 15 - HB2 LYS 24 far 5 96 5 - 4.0-16.1 QB ALA 12 - HB2 LYS 31 far 5 96 5 - 4.2-20.5 QB ALA 110 - HB2 LYS 26 far 5 95 5 - 4.6-29.1 QB ALA 28 - HB2 LYS 26 far 5 93 5 - 4.9-6.6 QB ALA 16 - HB2 LYS 31 far 4 80 5 - 3.9-22.2 HB2 LEU 42 - HB2 LYS 39 far 3 55 5 - 4.9-6.9 QB ALA 29 - HB2 LYS 26 far 0 98 0 - 5.0-8.6 QB ALA 28 - HB2 LYS 19 far 0 93 0 - 5.0-20.0 QB ALA 21 - HB2 LYS 24 far 0 73 0 - 5.0-9.8 QB ALA 21 - HB2 LYS 19 far 0 73 0 - 5.1-7.3 HG2 LYS 19 - HB2 LYS 31 far 0 100 0 - 5.2-27.3 QB ALA 110 - HB2 LYS 19 far 0 96 0 - 5.2-44.1 HG3 LYS 26 - HB2 LYS 24 far 0 96 0 - 5.4-11.1 HG2 LYS 36 - HB2 LYS 26 far 0 97 0 - 5.5-22.8 HG2 LYS 24 - HB2 LYS 31 far 0 99 0 - 5.6-19.7 QB ALA 29 - HB2 LYS 31 far 0 98 0 - 5.6-7.8 HG3 LYS 26 - HB2 LYS 19 far 0 97 0 - 6.0-22.5 QB ALA 12 - HB2 LYS 24 far 0 96 0 - 6.0-16.8 QB ALA 29 - HB2 LYS 19 far 0 99 0 - 6.4-20.3 HG2 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.4-24.5 QB ALA 21 - HB2 LYS 39 far 0 34 0 - 6.5-30.8 HG2 LYS 36 - HB2 LYS 31 far 0 97 0 - 6.5-12.1 QB ALA 109 - HB2 LYS 26 far 0 88 0 - 6.6-26.4 QB ALA 109 - HB2 LYS 24 far 0 88 0 - 6.6-32.7 QB ALA 16 - HB2 LYS 24 far 0 80 0 - 6.8-16.1 QB ALA 21 - HB2 LYS 26 far 0 73 0 - 6.9-14.0 HG3 LYS 95 - HB2 LYS 24 far 0 92 0 - 7.0-33.7 QB ALA 21 - HB2 LYS 31 far 0 73 0 - 7.1-18.9 QB ALA 109 - HB2 LYS 19 far 0 89 0 - 7.3-41.6 HG2 LYS 36 - HB2 LYS 19 far 0 97 0 - 7.3-32.2 QB ALA 15 - HB2 LYS 26 far 0 96 0 - 7.6-20.4 QB ALA 16 - HB2 LYS 26 far 0 80 0 - 7.8-20.6 HG2 LYS 95 - HB2 LYS 24 far 0 87 0 - 7.9-33.5 HG2 LYS 24 - HB2 LYS 39 far 0 53 0 - 8.0-31.6 QB ALA 12 - HB2 LYS 26 far 0 96 0 - 8.3-21.0 QB ALA 16 - HB2 LYS 39 far 0 38 0 - 8.9-31.7 QB ALA 12 - HB2 LYS 39 far 0 50 0 - 8.9-34.9 QB ALA 108 - HB2 LYS 19 far 0 98 0 - 9.4-40.4 HG2 LYS 36 - HB2 LYS 39 far 0 51 0 - 9.5-14.0 HB3 LEU 100 - HB2 LYS 26 far 0 100 0 - 9.6-21.1 QB ALA 108 - HB2 LYS 31 far 0 98 0 - 9.7-26.1 QB ALA 110 - HB2 LYS 24 far 0 95 0 - 9.9-36.0 Violated in 0 structures by 0.00 A. Peak 253 from aliabs.peaks (1.44, 1.74, 32.58 ppm; 3.50 A): 5 out of 32 assignments used, quality = 1.00: * HG3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 97 97 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 84 84 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 31 OK 26 99 30 87 1.9-15.6 628=9, 629/1.8=7...(65) HG13 ILE 32 - HB2 LYS 31 poor 20 98 20 - 4.2-6.6 HG13 ILE 32 - HB2 LYS 26 poor 19 98 35 56 2.7-13.3 919/6343=10, 6264/6262=7...(20) HG2 LYS 31 - HB2 LYS 26 poor 18 84 25 87 3.5-15.2 823=5, 619/1.8=4...(80) HG3 LYS 24 - HB2 LYS 19 poor 16 97 25 64 3.6-16.4 525=4, 284/1.8=3...(24) HG2 LYS 31 - HB2 LYS 19 far 8 85 10 - 3.6-24.3 HG3 LYS 19 - HB2 LYS 24 far 5 100 5 - 2.7-16.0 HG3 LYS 19 - HB2 LYS 31 far 5 100 5 - 4.6-28.5 HG3 LYS 24 - HB2 LYS 26 far 5 97 5 - 2.9-11.4 HG2 LYS 31 - HB2 LYS 24 far 4 85 5 - 4.1-17.7 HG3 LYS 36 - HB2 LYS 24 far 4 80 5 - 2.7-27.9 HG3 LYS 36 - HB2 LYS 26 far 4 80 5 - 3.8-23.1 HG3 LYS 36 - HB2 LYS 31 far 4 80 5 - 4.9-12.3 HG2 LYS 26 - HB2 LYS 24 far 0 99 0 - 5.2-11.5 HG13 ILE 32 - HB2 LYS 24 far 0 98 0 - 5.6-18.1 HG3 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.0-24.0 QB ALA 34 - HB2 LYS 24 far 0 76 0 - 6.0-20.9 HG2 LYS 26 - HB2 LYS 19 far 0 99 0 - 6.0-23.9 QB ALA 34 - HB2 LYS 39 far 0 35 0 - 6.4-12.3 HG13 ILE 32 - HB2 LYS 19 far 0 98 0 - 6.7-23.1 HG3 LYS 24 - HB2 LYS 31 far 0 97 0 - 6.7-18.1 QB ALA 34 - HB2 LYS 26 far 0 75 0 - 7.2-17.5 HG3 LYS 36 - HB2 LYS 19 far 0 81 0 - 7.5-32.1 QB ALA 34 - HB2 LYS 31 far 0 75 0 - 8.9-11.3 QB ALA 34 - HB2 LYS 19 far 0 76 0 - 9.1-28.2 HG2 LYS 86 - HB2 LYS 39 far 0 34 0 - 9.7-16.0 HG3 LYS 24 - HB2 LYS 39 far 0 51 0 - 9.7-30.3 HG3 LYS 19 - HB2 LYS 39 far 0 55 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 254 from aliabs.peaks (1.65, 1.74, 32.58 ppm; 4.74 A): 15 out of 59 assignments used, quality = 1.00: * HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.2 3.9=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.9-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 98 98 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 98 98 100 100 2.1-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 96 96 100 100 1.9-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 95 95 100 100 2.0-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 31 OK 51 95 55 98 2.4-15.6 2.9/639=8, 2.9/628=8...(164) HG LEU 43 + HB2 LYS 39 OK 45 53 85 99 4.3-7.0 ~11901=55, ~9119=41...(20) HD2 LYS 26 + HB2 LYS 31 OK 43 98 45 99 3.3-16.0 2.9/639=8, 2.9/628=8...(183) HD2 LYS 31 + HB2 LYS 26 OK 39 99 40 99 4.5-13.8 10771/10770=17...(197) HD3 LYS 24 + HB2 LYS 19 OK 29 100 30 96 4.7-15.4 3.0/823=5, 2632/1.8=4...(147) HD2 LYS 39 + HB2 LYS 39 OK 26 26 100 100 2.3-3.5 3.6=100 HD3 LYS 31 + HB2 LYS 26 OK 24 98 25 99 4.1-13.7 10771/10770=14...(221) HD2 LYS 19 - HB2 LYS 24 poor 18 100 35 52 4.1-16.1 305=2, 5.2/790=2...(7) HG LEU 22 - HB2 LYS 19 poor 18 60 45 65 4.8-10.9 ~10720=12, ~409=11...(18) HD2 LYS 24 - HB2 LYS 19 far 14 97 15 - 3.7-16.1 HD3 LYS 19 - HB2 LYS 24 poor 14 100 25 55 2.7-16.8 5.2/790=2, 1.8/305=2...(8) HD2 LYS 36 - HB2 LYS 26 far 10 95 10 - 5.6-20.8 HD3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.0-12.6 HD2 LYS 19 - HB2 LYS 31 far 5 100 5 - 4.9-28.2 HB2 LEU 98 - HB2 LYS 24 far 5 100 5 - 5.1-34.5 HD3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.5-29.5 HD2 LYS 31 - HB2 LYS 24 far 5 100 5 - 4.7-17.2 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-23.0 HD3 LYS 24 - HB2 LYS 31 far 5 100 5 - 6.2-19.4 HD3 LYS 31 - HB2 LYS 19 far 5 99 5 - 4.6-23.5 HD3 LYS 31 - HB2 LYS 24 far 5 99 5 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 19 far 5 98 5 - 6.2-21.7 HD2 LYS 26 - HB2 LYS 24 far 5 98 5 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 24 far 5 96 5 - 4.2-25.9 HD2 LYS 24 - HB2 LYS 26 far 5 96 5 - 3.6-12.6 HD3 LYS 36 - HB2 LYS 26 far 5 96 5 - 6.1-21.8 HD2 LYS 36 - HB2 LYS 24 far 5 95 5 - 3.0-25.5 HD3 LYS 26 - HB2 LYS 19 far 5 96 5 - 5.6-21.9 HD2 LYS 36 - HB2 LYS 31 far 5 95 5 - 5.5-12.6 HG LEU 22 - HB2 LYS 24 far 3 60 5 - 5.8-9.9 HB2 LEU 98 - HB2 LYS 26 far 0 100 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 96 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 96 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.2-22.8 HG LEU 22 - HB2 LYS 26 far 0 60 0 - 7.3-14.9 HD3 LYS 26 - HB2 LYS 24 far 0 95 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 50 0 - 7.5-15.4 HG LEU 22 - HB2 LYS 31 far 0 59 0 - 8.0-23.5 HD3 LYS 24 - HB2 LYS 39 far 0 55 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 49 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 98 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 97 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 60 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 99 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 100 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 55 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 99 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 50 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 53 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 255 from aliabs.peaks (1.65, 1.74, 32.58 ppm; 4.74 A): 14 out of 61 assignments used, quality = 1.00: * HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.2 3.9=100 HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-4.1 3.9=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.9-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 97 97 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.1-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 94 94 100 100 1.9-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 93 93 100 100 2.0-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 31 OK 50 93 55 98 2.4-15.6 2.9/639=8, 2.9/628=8...(164) HG LEU 43 + HB2 LYS 39 OK 46 54 85 99 4.3-7.0 ~11901=55, ~9119=41...(20) HD2 LYS 26 + HB2 LYS 31 OK 43 96 45 99 3.3-16.0 2.9/639=8, 2.9/628=8...(183) HD2 LYS 31 + HB2 LYS 26 OK 39 99 40 99 4.5-13.8 10771/10770=17...(197) HD3 LYS 24 + HB2 LYS 19 OK 29 100 30 96 4.7-15.4 3.0/823=5, 2632/1.8=4...(147) HD3 LYS 31 + HB2 LYS 26 OK 24 97 25 99 4.1-13.7 10771/10770=13...(220) HG LEU 22 - HB2 LYS 19 poor 19 65 45 65 4.8-10.9 ~10720=12, ~409=11...(18) HD2 LYS 19 - HB2 LYS 24 poor 18 100 35 52 4.1-16.1 305=2, 5.2/790=2...(7) HD2 LYS 24 - HB2 LYS 19 far 14 95 15 - 3.7-16.1 HD3 LYS 19 - HB2 LYS 24 poor 14 100 25 55 2.7-16.8 5.2/790=2, 1.8/305=2...(8) HG3 ARG 23 - HB2 LYS 26 poor 12 62 20 - 4.8-14.3 HD2 LYS 36 - HB2 LYS 26 far 9 93 10 - 5.6-20.8 HG3 ARG 23 - HB2 LYS 19 far 6 63 10 - 3.7-12.6 HD3 LYS 24 - HB2 LYS 26 far 5 99 5 - 2.0-12.6 HB2 LEU 98 - HB2 LYS 24 far 5 100 5 - 5.1-34.5 HD2 LYS 19 - HB2 LYS 31 far 5 100 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 100 5 - 5.5-29.5 HD3 LYS 24 - HB2 LYS 31 far 5 99 5 - 6.2-19.4 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.1-23.0 HD2 LYS 31 - HB2 LYS 24 far 5 99 5 - 4.7-17.2 HD3 LYS 31 - HB2 LYS 19 far 5 97 5 - 4.6-23.5 HD3 LYS 31 - HB2 LYS 24 far 5 97 5 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 19 far 5 97 5 - 6.2-21.7 HD2 LYS 26 - HB2 LYS 24 far 5 96 5 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 24 far 5 94 5 - 4.2-25.9 HD2 LYS 24 - HB2 LYS 26 far 5 94 5 - 3.6-12.6 HD3 LYS 36 - HB2 LYS 26 far 5 94 5 - 6.1-21.8 HD2 LYS 36 - HB2 LYS 24 far 5 93 5 - 3.0-25.5 HD3 LYS 26 - HB2 LYS 19 far 5 93 5 - 5.6-21.9 HD2 LYS 36 - HB2 LYS 31 far 5 93 5 - 5.5-12.6 HG LEU 22 - HB2 LYS 24 far 3 65 5 - 5.8-9.9 HG3 ARG 23 - HB2 LYS 31 far 3 62 5 - 6.2-21.9 HB2 LEU 98 - HB2 LYS 26 far 0 100 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 94 0 - 6.5-12.1 HG3 ARG 23 - HB2 LYS 24 far 0 63 0 - 6.6-8.9 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 94 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.2-22.8 HG LEU 22 - HB2 LYS 26 far 0 65 0 - 7.3-14.9 HD3 LYS 26 - HB2 LYS 24 far 0 93 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 48 0 - 7.5-15.4 HG LEU 22 - HB2 LYS 31 far 0 65 0 - 8.0-23.5 HD3 LYS 24 - HB2 LYS 39 far 0 54 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 47 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 96 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 95 0 - 9.2-30.9 HG LEU 62 - HB2 LYS 26 far 0 100 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 100 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 55 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 99 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 48 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 52 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 256 from aliabs.peaks (2.95, 1.74, 32.58 ppm; 5.82 A): 17 out of 50 assignments used, quality = 1.00: HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 * HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.6-5.5 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 3.1-5.1 5.1=100 HE3 LYS 26 + HB2 LYS 31 OK 58 99 60 98 3.4-17.3 3.6/639=9, 3.6/628=8...(178) HE2 LYS 26 + HB2 LYS 31 OK 54 100 55 98 3.2-17.5 3.6/639=9, 3.6/628=8...(181) HE3 LYS 24 + HB2 LYS 19 OK 37 98 40 96 5.3-18.0 4.0/823=5, 2634/1.8=5...(167) HE3 LYS 31 + HB2 LYS 26 OK 32 100 35 92 4.2-12.2 3.7/834=8, 3.7/823=7...(134) HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.0-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.7-4.5 4.9=100 HE2 LYS 24 + HB2 LYS 19 OK 29 100 30 96 4.1-17.5 4.0/823=5, 2634/1.8=5...(164) HE2 LYS 31 + HB2 LYS 26 OK 27 100 30 92 4.4-12.8 3.7/834=8, 3.7/823=7...(137) HE2 LYS 19 + HB2 LYS 24 OK 25 100 35 72 3.8-18.2 6.4/790=2, 2.9/305=2...(38) HE2 LYS 36 - HB2 LYS 26 poor 20 100 20 - 3.3-22.3 HE3 LYS 19 - HB2 LYS 24 poor 18 100 30 61 4.9-17.5 1026/2.9=2, 6.4/790=2...(34) HE2 LYS 36 - HB2 LYS 24 far 10 100 10 - 1.9-26.5 HE2 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.2-25.0 HE2 LYS 24 - HB2 LYS 26 far 10 100 10 - 4.0-13.1 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.9-25.9 HE2 LYS 24 - HB2 LYS 31 far 10 100 10 - 4.9-20.2 HE3 LYS 24 - HB2 LYS 26 far 10 98 10 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 8 100 25 31 3.5-12.9 6337/6331=2 HE3 LYS 36 - HB2 LYS 31 poor 7 100 25 26 4.9-12.6 6337/6331=3, 2634/1.8=1 HE2 LYS 26 - HB2 LYS 24 lone 6 100 35 17 5.6-12.3 9587/11151=5, 3.6/834=2 HE3 LYS 26 - HB2 LYS 24 poor 5 99 25 21 5.3-12.3 9587/11151=7, 3.6/834=2 HE3 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.6-27.4 HE2 LYS 26 - HB2 LYS 19 far 5 100 5 - 6.8-24.3 HE3 LYS 31 - HB2 LYS 24 far 5 100 5 - 6.7-18.7 HE2 LYS 31 - HB2 LYS 24 far 5 100 5 - 6.9-18.8 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 7.1-27.9 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 7.3-27.5 HE3 LYS 24 - HB2 LYS 31 far 5 98 5 - 5.8-20.7 HE3 LYS 36 - HB2 LYS 26 lone 4 100 25 18 4.9-22.7 10721/10748=3 HB2 CYS 45 - HB2 LYS 26 far 4 80 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 0 76 0 - 7.9-33.7 HE3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.2-24.9 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 80 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 80 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 54 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 80 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 52 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 257 from aliabs.peaks (2.95, 1.74, 32.58 ppm; 5.82 A): 17 out of 50 assignments used, quality = 1.00: * HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.6-5.5 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 3.1-5.1 5.1=100 HE3 LYS 26 + HB2 LYS 31 OK 58 99 60 98 3.4-17.3 3.6/639=9, 3.6/628=8...(178) HE2 LYS 26 + HB2 LYS 31 OK 54 100 55 98 3.2-17.5 3.6/639=9, 3.6/628=8...(181) HE3 LYS 24 + HB2 LYS 19 OK 37 98 40 96 5.3-18.0 4.0/823=5, 2634/1.8=5...(167) HE3 LYS 31 + HB2 LYS 26 OK 32 100 35 92 4.2-12.2 3.7/834=8, 3.7/823=7...(134) HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.0-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.7-4.5 4.9=100 HE2 LYS 24 + HB2 LYS 19 OK 29 100 30 96 4.1-17.5 4.0/823=5, 2634/1.8=5...(164) HE2 LYS 31 + HB2 LYS 26 OK 27 100 30 92 4.4-12.8 3.7/834=8, 3.7/823=7...(137) HE2 LYS 19 + HB2 LYS 24 OK 25 100 35 72 3.8-18.2 6.4/790=2, 2.9/305=2...(38) HE2 LYS 36 - HB2 LYS 26 poor 20 100 20 - 3.3-22.3 HE3 LYS 19 - HB2 LYS 24 poor 18 100 30 61 4.9-17.5 1026/2.9=2, 6.4/790=2...(34) HE2 LYS 36 - HB2 LYS 24 far 10 100 10 - 1.9-26.5 HE2 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.2-25.0 HE2 LYS 24 - HB2 LYS 26 far 10 100 10 - 4.0-13.1 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.9-25.9 HE2 LYS 24 - HB2 LYS 31 far 10 100 10 - 4.9-20.2 HE3 LYS 24 - HB2 LYS 26 far 10 98 10 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 8 100 25 31 3.5-12.9 6337/6331=2 HE3 LYS 36 - HB2 LYS 31 poor 7 100 25 26 4.9-12.6 6337/6331=3, 2634/1.8=1 HE2 LYS 26 - HB2 LYS 24 lone 6 100 35 17 5.6-12.3 9587/11151=5, 3.6/834=2 HE3 LYS 26 - HB2 LYS 24 poor 5 99 25 21 5.3-12.3 9587/11151=7, 3.6/834=2 HE3 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.6-27.4 HE2 LYS 26 - HB2 LYS 19 far 5 100 5 - 6.8-24.3 HE3 LYS 31 - HB2 LYS 24 far 5 100 5 - 6.7-18.7 HE2 LYS 31 - HB2 LYS 24 far 5 100 5 - 6.9-18.8 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 7.1-27.9 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 7.3-27.5 HE3 LYS 24 - HB2 LYS 31 far 5 98 5 - 5.8-20.7 HE3 LYS 36 - HB2 LYS 26 lone 4 100 25 18 4.9-22.7 10721/10748=3 HB2 CYS 45 - HB2 LYS 26 far 4 80 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 0 76 0 - 7.9-33.7 HE3 LYS 26 - HB2 LYS 19 far 0 99 0 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.2-24.9 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 80 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 80 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 54 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 80 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 52 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 260 from aliabs.peaks (4.27, 1.81, 32.58 ppm; 3.18 A): 5 out of 84 assignments used, quality = 1.00: * HA LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-2.7 3.0=100 HA LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HA LYS 26 + HB3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HA LYS 36 + HB2 LYS 36 OK 60 60 100 100 2.2-3.0 3.0=100 HA GLN 27 + HB3 LYS 26 OK 27 66 45 89 4.1-5.6 3.0/6263=47, ~6262=26...(22) HA LYS 31 - HB3 LYS 26 poor 19 96 20 - 4.4-15.8 HA LEU 22 - HB3 LYS 24 poor 19 95 20 - 4.2-7.6 HA PHE 87 - HB2 LYS 86 poor 18 82 25 90 4.0-5.5 2.9/7156=37, ~7157=24...(19) HA THR 25 - HB3 LYS 24 poor 16 79 20 - 4.2-6.5 HA LYS 26 - HB3 LYS 31 poor 15 98 35 44 2.7-15.0 790/1.8=5, 240=5...(13) HA ARG 23 - HB3 LYS 19 far 15 99 15 - 4.3-14.0 HA ARG 23 - HB3 LYS 24 far 14 95 15 - 4.4-6.2 HA ALA 21 - HB3 LYS 24 far 10 68 15 - 3.5-10.5 HA THR 18 - HB3 LYS 24 far 9 93 10 - 4.0-14.9 HA LYS 31 - HB3 LYS 19 far 5 100 5 - 4.5-26.9 HA ALA 16 - HB3 LYS 19 far 5 100 5 - 4.1-11.3 HA ALA 15 - HB3 LYS 19 far 5 99 5 - 3.1-13.8 HA LYS 19 - HB3 LYS 31 far 5 98 5 - 3.9-25.7 HA ALA 16 - HB3 LYS 31 far 5 98 5 - 3.3-26.4 HA ARG 23 - HB3 LYS 31 far 5 97 5 - 4.2-18.6 HA THR 18 - HB3 LYS 31 far 5 94 5 - 2.8-25.1 HA ALA 12 - HB3 LYS 19 far 5 93 5 - 4.1-19.2 HA GLN 61 - HB3 LYS 26 far 5 93 5 - 4.1-24.5 HA LYS 36 - HB3 LYS 24 far 4 89 5 - 4.3-28.6 HA THR 25 - HB3 LYS 19 far 4 85 5 - 4.2-18.3 HA LYS 19 - HB3 LYS 24 lone 4 97 30 14 2.0-13.2 822/2.9=3, 241/2.9=2...(6) HA THR 25 - HB3 LYS 31 far 4 81 5 - 2.7-15.0 HA ARG 23 - HB3 LYS 26 lone 2 93 25 10 2.0-11.3 424/6251=3, 6240/511=1...(4) HA ALA 21 - HB2 LYS 36 far 2 43 5 - 4.2-30.8 HA GLN 27 - HB2 LYS 36 far 2 43 5 - 4.4-21.6 HA THR 25 - HB3 LYS 26 far 0 77 0 - 4.7-6.6 HA ARG 84 - HB2 LYS 86 far 0 51 0 - 4.8-5.5 HA ALA 15 - HB3 LYS 31 far 0 96 0 - 4.8-24.3 HA GLN 27 - HB3 LYS 24 far 0 68 0 - 4.9-11.9 HA ALA 110 - HB3 LYS 19 far 0 95 0 - 5.0-51.4 HA ALA 109 - HB3 LYS 26 far 0 94 0 - 5.0-34.1 HA LYS 26 - HB3 LYS 19 far 0 100 0 - 5.0-20.0 HA GLN 27 - HB3 LYS 31 far 0 70 0 - 5.1-11.6 HA ALA 21 - HB3 LYS 19 far 0 73 0 - 5.1-9.1 HA ALA 28 - HB3 LYS 19 far 0 65 0 - 5.2-22.5 HA LYS 31 - HB2 LYS 36 far 0 68 0 - 5.5-14.2 HA LYS 19 - HB3 LYS 26 far 0 96 0 - 5.6-21.5 HA THR 18 - HB3 LYS 19 far 0 97 0 - 5.6-6.6 HA ALA 28 - HB3 LYS 24 far 0 60 0 - 5.6-14.0 HA ALA 108 - HB3 LYS 26 far 0 94 0 - 5.7-32.7 HA ALA 110 - HB3 LYS 26 far 0 87 0 - 5.7-35.3 HA THR 18 - HB2 LYS 36 far 0 63 0 - 5.7-36.4 HA THR 25 - HB2 LYS 36 far 0 51 0 - 5.9-25.6 HA ALA 15 - HB3 LYS 24 far 0 94 0 - 5.9-19.8 HA ALA 12 - HB3 LYS 31 far 0 90 0 - 6.0-26.6 HA LYS 26 - HB3 LYS 24 far 0 97 0 - 6.1-8.8 HA LEU 22 - HB3 LYS 26 far 0 94 0 - 6.3-13.3 HA LEU 22 - HB3 LYS 19 far 0 99 0 - 6.5-9.9 HA ARG 23 - HB2 LYS 36 far 0 66 0 - 6.5-28.2 HA ALA 15 - HB3 LYS 26 far 0 93 0 - 6.6-24.8 HA LYS 36 - HB3 LYS 31 far 0 91 0 - 6.7-16.3 HA ALA 28 - HB3 LYS 26 far 0 58 0 - 6.7-9.1 HA GLN 27 - HB3 LYS 19 far 0 73 0 - 6.8-21.6 HA ALA 28 - HB3 LYS 31 far 0 62 0 - 6.8-9.8 HA LYS 36 - HB3 LYS 26 far 0 87 0 - 6.9-25.7 HA LEU 22 - HB2 LYS 36 far 0 66 0 - 7.2-31.8 HA LYS 26 - HB2 LYS 36 far 0 68 0 - 7.2-24.7 HA ALA 16 - HB3 LYS 24 far 0 96 0 - 7.3-17.7 HA ALA 21 - HB3 LYS 26 far 0 66 0 - 7.3-15.2 HA ALA 21 - HB3 LYS 31 far 0 70 0 - 7.4-19.9 HA ALA 12 - HB3 LYS 24 far 0 88 0 - 7.6-23.5 HA THR 18 - HB3 LYS 26 far 0 91 0 - 7.6-20.1 HA LYS 31 - HB3 LYS 24 far 0 97 0 - 7.6-18.1 HA GLN 61 - HB3 LYS 31 far 0 96 0 - 7.6-24.0 HA GLN 61 - HB3 LYS 24 far 0 94 0 - 7.7-24.4 HA ALA 108 - HB3 LYS 24 far 0 95 0 - 7.7-37.7 HA LEU 22 - HB3 LYS 31 far 0 97 0 - 7.9-19.7 HA LYS 19 - HB2 LYS 36 far 0 68 0 - 7.9-35.2 HA ALA 109 - HB3 LYS 19 far 0 99 0 - 8.0-50.5 HA ALA 109 - HB3 LYS 24 far 0 95 0 - 8.3-39.9 HA ALA 15 - HB2 LYS 36 far 0 65 0 - 8.6-31.8 HA LYS 36 - HB3 LYS 19 far 0 95 0 - 8.6-35.4 HA GLN 61 - HB3 LYS 19 far 0 99 0 - 8.7-30.4 HA ALA 16 - HB3 LYS 26 far 0 95 0 - 8.8-24.5 HA ALA 108 - HB3 LYS 31 far 0 97 0 - 9.1-32.9 HA ALA 28 - HB2 LYS 36 far 0 37 0 - 9.1-19.3 HA ALA 16 - HB2 LYS 36 far 0 67 0 - 9.2-35.2 HA ALA 108 - HB3 LYS 19 far 0 99 0 - 9.5-48.5 HA SER 74 - HB3 LYS 31 far 0 85 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 261 from aliabs.peaks (1.74, 1.81, 32.58 ppm; 2.50 A): 5 out of 31 assignments used, quality = 1.00: * HB2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 1.8-1.8 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 1.8-1.8 1.8=100 HB2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 1.8-1.8 1.8=100 HB ILE 80 + HB2 LYS 86 OK 34 78 50 88 3.6-6.1 9729/3.0=14, 9713/3.0=11...(34) HB2 LYS 24 - HB3 LYS 19 far 15 100 15 - 1.9-15.0 HB2 LYS 26 - HB3 LYS 31 poor 14 98 35 41 1.9-14.9 799/6332=3, 251=3...(26) HB2 ARG 23 - HB3 LYS 26 far 9 92 10 - 2.4-12.4 HB2 LYS 31 - HB3 LYS 26 poor 9 96 25 38 2.0-14.1 6331/6332=3, 639/3.0=2...(11) HB2 LYS 19 - HB3 LYS 31 far 5 98 5 - 1.9-25.4 HB2 LYS 19 - HB3 LYS 26 far 5 96 5 - 3.6-22.7 HB2 ARG 23 - HB3 LYS 31 far 5 95 5 - 3.6-20.4 HB2 LYS 24 - HB2 LYS 36 far 3 68 5 - 3.3-29.5 HB2 LYS 19 - HB3 LYS 24 far 0 97 0 - 4.0-14.4 HB2 LYS 26 - HB3 LYS 19 far 0 100 0 - 4.5-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 93 0 - 4.7-7.6 HB2 LYS 26 - HB3 LYS 24 far 0 97 0 - 4.7-10.3 HB2 LYS 31 - HB3 LYS 19 far 0 100 0 - 4.8-27.2 HB2 LYS 24 - HB3 LYS 31 far 0 98 0 - 4.9-18.1 HB2 LYS 26 - HB2 LYS 36 far 0 68 0 - 5.0-25.1 HG3 ARG 90 - HB2 LYS 86 far 0 80 0 - 5.0-9.3 HB2 ARG 23 - HB3 LYS 19 far 0 98 0 - 5.1-13.2 HB2 LYS 24 - HB3 LYS 26 far 0 96 0 - 5.2-10.9 HB2 ARG 23 - HB2 LYS 36 far 0 64 0 - 5.9-26.6 HB2 LYS 31 - HB3 LYS 24 far 0 97 0 - 6.1-18.4 HB2 LYS 31 - HB2 LYS 36 far 0 68 0 - 6.2-14.4 HG LEU 100 - HB3 LYS 26 far 0 51 0 - 7.7-21.8 HG13 ILE 129 - HB2 LYS 86 far 0 82 0 - 9.1-11.3 HB2 LYS 19 - HB2 LYS 36 far 0 68 0 - 9.5-34.1 HB3 LEU 70 - HB2 LYS 36 far 0 34 0 - 9.8-17.4 HG LEU 100 - HB3 LYS 24 far 0 52 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 262 from aliabs.peaks (1.81, 1.81, 32.58 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 98 98 - 100 HB3 LYS 24 + HB3 LYS 24 OK 95 95 - 100 HB3 LYS 26 + HB3 LYS 26 OK 93 93 - 100 HB2 LYS 86 + HB2 LYS 86 OK 73 73 - 100 HB2 LYS 36 + HB2 LYS 36 OK 63 63 - 100 Peak 263 from aliabs.peaks (1.37, 1.81, 32.58 ppm; 3.36 A): 7 out of 70 assignments used, quality = 1.00: * HG2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.3-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 63 63 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 28 94 40 75 2.2-16.3 1.8/629=7, 273=6...(57) HG3 LYS 31 + HB3 LYS 26 OK 21 84 30 83 3.3-14.9 640=5, 1.8/284=4, ~823=3...(95) HG2 LYS 24 - HB3 LYS 19 poor 20 99 20 - 2.0-15.9 QB ALA 15 - HB3 LYS 19 far 14 97 15 - 4.0-12.6 HG2 LYS 19 - HB3 LYS 24 far 10 97 10 - 3.4-16.0 QB ALA 15 - HB3 LYS 31 far 9 94 10 - 2.6-21.8 QB ALA 28 - HB3 LYS 31 far 9 90 10 - 4.8-8.0 HG2 LYS 19 - HB3 LYS 31 far 5 98 5 - 4.7-26.5 QB ALA 12 - HB3 LYS 19 far 5 97 5 - 1.9-16.7 QB ALA 29 - HB3 LYS 24 far 5 94 5 - 2.6-12.1 HG2 LYS 24 - HB3 LYS 26 far 5 94 5 - 2.9-11.3 QB ALA 12 - HB3 LYS 31 far 5 94 5 - 3.4-20.9 QB ALA 108 - HB3 LYS 26 far 5 92 5 - 3.5-26.4 HG3 LYS 31 - HB3 LYS 19 far 5 92 5 - 3.7-24.3 QB ALA 15 - HB3 LYS 24 far 5 92 5 - 4.1-15.5 QB ALA 110 - HB3 LYS 26 far 4 89 5 - 3.1-29.9 HG3 LYS 31 - HB3 LYS 24 far 4 86 5 - 4.8-17.7 QB ALA 16 - HB3 LYS 31 far 4 77 5 - 3.6-22.8 QB ALA 21 - HB3 LYS 19 far 4 73 5 - 3.9-7.8 QB ALA 21 - HB3 LYS 24 far 3 68 5 - 3.8-9.3 HG3 LYS 26 - HB2 LYS 36 far 3 62 5 - 4.6-27.1 HG3 LYS 31 - HB2 LYS 36 far 3 57 5 - 3.8-16.2 QB ALA 21 - HB2 LYS 36 far 2 43 5 - 3.8-27.6 QB ALA 28 - HB3 LYS 24 lone 1 88 25 5 3.3-12.8 6234/6233=2, 10790=1 HG2 LYS 36 - HB3 LYS 24 far 0 93 0 - 4.9-26.5 QB ALA 16 - HB3 LYS 19 far 0 81 0 - 4.9-10.4 QB ALA 29 - HB2 LYS 36 far 0 65 0 - 5.0-13.4 QB ALA 28 - HB3 LYS 19 far 0 93 0 - 5.1-20.6 QB ALA 110 - HB3 LYS 19 far 0 96 0 - 5.1-43.2 HG2 LYS 24 - HB3 LYS 31 far 0 97 0 - 5.1-19.1 QB ALA 108 - HB3 LYS 24 far 0 93 0 - 5.2-30.4 QB ALA 28 - HB3 LYS 26 far 0 86 0 - 5.2-7.7 QB ALA 29 - HB3 LYS 26 far 0 93 0 - 5.3-9.5 HG3 LYS 26 - HB3 LYS 24 far 0 92 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 66 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 86 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 81 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 83 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 96 0 - 5.9-8.3 QB ALA 16 - HB3 LYS 24 far 0 75 0 - 6.0-15.3 HG2 LYS 19 - HB3 LYS 26 far 0 96 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 90 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 89 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 99 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 68 0 - 6.5-10.8 QB ALA 16 - HB2 LYS 36 far 0 48 0 - 6.6-28.2 HG2 LYS 95 - HB3 LYS 24 far 0 81 0 - 6.7-33.3 QB ALA 21 - HB3 LYS 31 far 0 70 0 - 6.7-18.6 HG2 LYS 36 - HB3 LYS 26 far 0 91 0 - 6.8-22.9 QB ALA 12 - HB3 LYS 24 far 0 92 0 - 6.9-17.9 QB ALA 16 - HB3 LYS 26 far 0 73 0 - 7.0-20.5 QB ALA 21 - HB3 LYS 26 far 0 66 0 - 7.1-13.8 HG3 LYS 26 - HB3 LYS 19 far 0 97 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 62 0 - 7.4-28.2 HG2 LYS 36 - HB3 LYS 31 far 0 94 0 - 7.5-13.3 QB ALA 28 - HB2 LYS 36 far 0 58 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 97 0 - 8.2-32.7 QB ALA 12 - HB3 LYS 26 far 0 90 0 - 8.2-20.8 QB ALA 108 - HB3 LYS 31 far 0 95 0 - 8.5-26.6 QB ALA 110 - HB3 LYS 24 far 0 90 0 - 9.1-35.2 HB3 LEU 100 - HB3 LYS 26 far 0 95 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 68 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 98 0 - 9.7-39.7 QB ALA 12 - HB2 LYS 36 far 0 62 0 - 9.8-26.6 QB ALA 109 - HB3 LYS 31 far 0 85 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 264 from aliabs.peaks (1.44, 1.81, 32.58 ppm; 3.57 A): 9 out of 35 assignments used, quality = 1.00: * HG3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 93 93 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB3 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HG2 LYS 86 + HB2 LYS 86 OK 53 53 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 48 48 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 31 OK 30 97 35 88 2.5-17.3 629=9, 628/1.8=6...(75) HG13 ILE 32 + HB2 LYS 36 OK 20 64 35 91 4.1-11.8 ~10810=25, ~10899=25...(32) HG2 LYS 31 + HB3 LYS 26 OK 20 77 30 87 3.6-16.1 629=5, 823/1.8=4...(103) HG3 LYS 24 - HB3 LYS 19 poor 19 97 30 64 2.0-15.5 284=4, 525/1.8=3...(23) HG13 ILE 32 - HB3 LYS 31 far 14 95 15 - 3.7-7.2 HG13 ILE 32 - HB3 LYS 26 poor 14 92 25 61 2.3-13.7 1.8/913=8, 6264/6263=7...(23) HG3 LYS 19 - HB3 LYS 24 far 10 97 10 - 3.9-16.0 HG2 LYS 26 - HB2 LYS 36 far 7 66 10 - 4.0-27.3 HG3 LYS 19 - HB3 LYS 31 far 5 98 5 - 4.5-27.7 HG3 LYS 24 - HB3 LYS 31 far 5 94 5 - 5.0-17.6 HG3 LYS 24 - HB3 LYS 26 far 5 91 5 - 3.6-11.7 HG2 LYS 31 - HB3 LYS 19 far 4 85 5 - 4.2-25.3 HG2 LYS 31 - HB3 LYS 24 far 4 79 5 - 4.5-18.4 HG3 LYS 36 - HB3 LYS 24 far 4 75 5 - 3.5-27.2 HG3 LYS 36 - HB3 LYS 26 far 4 73 5 - 5.1-23.3 QB ALA 34 - HB3 LYS 24 far 4 70 5 - 4.6-20.2 HG2 LYS 31 - HB2 LYS 36 far 3 51 5 - 3.7-16.4 HG13 ILE 32 - HB3 LYS 24 far 0 93 0 - 5.3-17.6 QB ALA 34 - HB2 LYS 36 far 0 44 0 - 5.3-7.2 HG2 LYS 26 - HB3 LYS 24 far 0 95 0 - 5.5-11.9 HG3 LYS 24 - HB2 LYS 36 far 0 63 0 - 5.5-27.7 HG3 LYS 19 - HB3 LYS 26 far 0 96 0 - 5.6-24.0 HG3 LYS 36 - HB3 LYS 31 far 0 77 0 - 6.0-13.7 HG2 LYS 26 - HB3 LYS 19 far 0 99 0 - 6.8-23.3 QB ALA 34 - HB3 LYS 26 far 0 68 0 - 7.5-18.8 HG3 LYS 36 - HB3 LYS 19 far 0 81 0 - 8.3-32.7 HG13 ILE 32 - HB3 LYS 19 far 0 98 0 - 8.3-24.4 QB ALA 34 - HB3 LYS 31 far 0 72 0 - 9.1-11.7 QB ALA 92 - HB2 LYS 86 far 0 78 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 265 from aliabs.peaks (1.65, 1.81, 32.58 ppm; 4.11 A): 17 out of 66 assignments used, quality = 1.00: * HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-3.7 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.5-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 96 96 100 100 2.1-3.8 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.2-4.0 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 89 89 100 100 2.0-4.1 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 81 81 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 80 80 100 100 2.3-4.0 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 62 62 100 100 2.1-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 61 61 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 37 95 40 96 2.9-17.3 2.9/629=7, 2.9/273=5...(135) HD3 LYS 26 + HB3 LYS 31 OK 35 92 40 94 3.4-17.4 2.9/629=7, 2.9/273=5...(104) HD2 LYS 24 + HB3 LYS 19 OK 30 97 35 90 2.0-16.0 3.0/824=3, 295=3...(114) HD3 LYS 24 + HB3 LYS 19 OK 29 100 35 84 3.5-15.3 3.0/824=3, 295=3...(81) HD2 LYS 31 + HB3 LYS 26 OK 27 95 30 97 4.2-14.4 2.9/284=4, 2.9/835=4...(184) HD3 LYS 19 - HB3 LYS 24 poor 19 97 20 - 2.0-16.3 HD3 LYS 31 - HB3 LYS 26 poor 19 93 20 - 4.5-14.4 HG LEU 22 - HB3 LYS 19 poor 15 60 45 55 3.5-10.7 2.1/10720=11, ~409=8...(20) HD2 LYS 19 - HB3 LYS 24 far 15 97 15 - 3.7-15.7 HD2 LYS 26 - HB2 LYS 36 poor 13 64 20 - 5.1-27.9 HD3 LYS 26 - HB2 LYS 36 poor 12 61 20 - 4.4-27.1 HD3 LYS 36 - HB3 LYS 24 far 9 92 10 - 5.5-25.2 HG2 ARG 84 - HB2 LYS 86 far 7 73 10 - 5.5-8.0 HD2 LYS 19 - HB3 LYS 31 far 5 98 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 98 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 5 96 5 - 5.2-34.1 HD2 LYS 31 - HB3 LYS 24 far 5 96 5 - 5.4-17.9 HD3 LYS 24 - HB3 LYS 26 far 5 95 5 - 3.7-12.3 HD2 LYS 36 - HB3 LYS 24 far 5 90 5 - 4.2-24.7 HD2 LYS 24 - HB3 LYS 26 far 4 90 5 - 5.1-12.6 HG3 ARG 84 - HB2 LYS 86 far 4 76 5 - 5.4-8.3 HD2 LYS 31 - HB2 LYS 36 far 3 67 5 - 5.0-15.5 HG LEU 22 - HB3 LYS 24 far 3 55 5 - 4.9-9.8 HD2 LYS 24 - HB2 LYS 36 far 0 62 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 65 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 99 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 90 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 100 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 73 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 94 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 93 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 98 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 89 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 68 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 92 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 98 0 - 6.8-18.8 HG LEU 22 - HB3 LYS 31 far 0 57 0 - 6.9-22.8 HD3 LYS 24 - HB2 LYS 36 far 0 68 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 95 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 94 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 94 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 93 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 90 0 - 7.7-11.2 HG LEU 22 - HB3 LYS 26 far 0 53 0 - 7.9-15.3 HB2 LEU 98 - HB3 LYS 26 far 0 95 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 96 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 66 0 - 8.3-14.1 HG LEU 22 - HB2 LYS 36 far 0 34 0 - 9.1-33.5 HB2 LEU 69 - HB3 LYS 24 far 0 97 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 98 0 - 9.8-17.4 HG LEU 119 - HB3 LYS 26 far 0 56 0 - 9.9-26.0 HD2 LYS 39 - HB3 LYS 24 far 0 55 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 266 from aliabs.peaks (1.65, 1.81, 32.58 ppm; 4.10 A): 17 out of 70 assignments used, quality = 1.00: * HD3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-3.7 3.9=100 HD2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.2-3.7 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.5-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 94 94 100 100 2.1-3.8 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 90 90 100 100 2.2-4.0 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 89 89 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 86 86 100 100 2.0-4.1 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 80 80 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 78 78 100 100 2.3-4.0 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 60 60 100 100 2.1-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 58 58 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 36 94 40 96 2.9-17.3 2.9/629=7, 2.9/273=5...(130) HD3 LYS 26 + HB3 LYS 31 OK 34 90 40 94 3.4-17.4 2.9/629=7, 2.9/273=5...(99) HD2 LYS 24 + HB3 LYS 19 OK 30 95 35 89 2.0-16.0 3.0/824=3, 295=3...(114) HD3 LYS 24 + HB3 LYS 19 OK 29 100 35 84 3.5-15.3 3.0/824=3, 295=3...(81) HD2 LYS 31 + HB3 LYS 26 OK 27 93 30 97 4.2-14.4 2.9/284=4, 2.9/835=4...(183) HD3 LYS 19 - HB3 LYS 24 poor 19 97 20 - 2.0-16.3 HD3 LYS 31 - HB3 LYS 26 poor 18 91 20 - 4.5-14.4 HG LEU 22 - HB3 LYS 19 poor 16 65 45 56 3.5-10.7 2.1/10720=11, ~409=8...(20) HD2 LYS 19 - HB3 LYS 24 far 15 97 15 - 3.7-15.7 HD2 LYS 26 - HB2 LYS 36 poor 12 62 20 - 5.1-27.9 HD3 LYS 26 - HB2 LYS 36 poor 12 58 20 - 4.4-27.1 HD3 LYS 36 - HB3 LYS 24 far 9 89 10 - 5.5-25.2 HG2 ARG 84 - HB2 LYS 86 far 8 75 10 - 5.5-8.0 HG3 ARG 23 - HB3 LYS 26 far 6 56 10 - 4.8-14.3 HD3 LYS 19 - HB3 LYS 31 far 5 98 5 - 4.1-28.8 HD2 LYS 19 - HB3 LYS 31 far 5 98 5 - 3.6-27.6 HB2 LEU 98 - HB3 LYS 24 far 5 97 5 - 5.2-34.1 HD2 LYS 31 - HB3 LYS 24 far 5 95 5 - 5.4-17.9 HD3 LYS 24 - HB3 LYS 26 far 5 95 5 - 3.7-12.3 HD2 LYS 36 - HB3 LYS 24 far 4 88 5 - 4.2-24.7 HD2 LYS 24 - HB3 LYS 26 far 4 87 5 - 5.1-12.6 HG3 ARG 84 - HB2 LYS 86 far 4 78 5 - 5.4-8.3 HD2 LYS 31 - HB2 LYS 36 far 3 66 5 - 5.0-15.5 HG3 ARG 23 - HB3 LYS 19 far 3 63 5 - 3.4-12.2 HG LEU 22 - HB3 LYS 24 far 3 60 5 - 4.9-9.8 HG3 ARG 23 - HB3 LYS 31 far 3 59 5 - 5.5-21.5 HG3 ARG 23 - HB2 LYS 36 far 2 35 5 - 5.5-28.1 HD2 LYS 24 - HB2 LYS 36 far 0 60 0 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 63 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 87 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 99 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 70 0 - 6.1-6.7 HD3 LYS 31 - HB3 LYS 24 far 0 93 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 92 0 - 6.4-12.7 HG3 ARG 23 - HB3 LYS 24 far 0 57 0 - 6.4-8.9 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 86 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 68 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 93 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 90 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 98 0 - 6.8-18.8 HG LEU 22 - HB3 LYS 31 far 0 62 0 - 6.9-22.8 HD3 LYS 24 - HB2 LYS 36 far 0 67 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 96 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 91 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 95 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 91 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 92 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 88 0 - 7.7-11.2 HG LEU 22 - HB3 LYS 26 far 0 58 0 - 7.9-15.3 HB2 LEU 98 - HB3 LYS 26 far 0 95 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 95 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 67 0 - 8.3-14.1 HG LEU 22 - HB2 LYS 36 far 0 37 0 - 9.1-33.5 HB2 LEU 69 - HB3 LYS 24 far 0 97 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 98 0 - 9.8-17.4 HG LEU 119 - HB3 LYS 26 far 0 61 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 267 from aliabs.peaks (2.95, 1.81, 32.58 ppm; 5.35 A): 18 out of 55 assignments used, quality = 1.00: * HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-5.2 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-5.0 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.1 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 3.3-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 94 94 100 100 2.0-5.4 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.8-5.3 5.1=100 HE3 LYS 86 + HB2 LYS 86 OK 82 82 100 100 3.0-3.5 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 67 67 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 67 67 100 100 3.3-4.7 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 52 98 55 97 2.2-19.2 3.6/629=8, 3.6/273=6...(149) HE3 LYS 26 + HB3 LYS 31 OK 42 97 45 96 3.3-19.0 3.6/629=8, 3.6/273=6...(136) HE3 LYS 24 + HB3 LYS 19 OK 40 98 45 90 3.9-16.9 11770/3.0=4, 4.0/526=4...(127) HE2 LYS 24 + HB3 LYS 19 OK 32 100 35 92 2.6-16.3 11770/3.0=4, 4.0/526=4...(132) HE3 LYS 31 + HB3 LYS 26 OK 25 95 30 89 4.4-13.0 3.7/824=6, 3.7/835=5...(108) HE2 LYS 31 + HB3 LYS 26 OK 25 95 30 89 3.9-12.8 3.7/824=6, 3.7/835=5...(107) HE3 LYS 26 + HB2 LYS 36 OK 23 66 45 76 2.6-28.9 1004/1.8=12, ~1004=9...(25) HE2 LYS 19 - HB3 LYS 24 poor 19 97 20 - 3.5-17.2 HE3 LYS 26 - HB3 LYS 24 poor 19 95 20 - 4.8-12.9 HE2 LYS 26 - HB2 LYS 36 poor 19 68 35 80 2.4-29.4 1004/1.8=11, ~1004=9...(33) HE2 LYS 36 - HB3 LYS 26 poor 19 95 20 - 4.2-22.7 HB2 CYS 45 - HB2 LYS 36 poor 17 48 35 - 1.8-11.9 HE3 LYS 19 - HB3 LYS 24 poor 16 97 25 65 4.6-17.1 1026/2.9=2, 6.4/240=1...(28) HE3 LYS 36 - HB3 LYS 31 far 15 98 15 - 4.9-14.1 HE2 LYS 36 - HB3 LYS 31 far 15 98 15 - 5.3-14.3 HE3 LYS 31 - HB2 LYS 36 far 10 68 15 - 5.6-14.2 HE2 LYS 31 - HB2 LYS 36 far 10 68 15 - 6.2-12.8 HE2 LYS 24 - HB3 LYS 31 far 10 98 10 - 6.0-19.3 HE2 LYS 26 - HB3 LYS 19 far 5 100 5 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 6.5-26.1 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.8-26.9 HE3 LYS 19 - HB3 LYS 31 far 5 98 5 - 6.2-27.1 HE2 LYS 36 - HB3 LYS 24 far 5 96 5 - 3.5-25.9 HE3 LYS 36 - HB3 LYS 24 far 5 96 5 - 5.2-26.7 HE2 LYS 24 - HB3 LYS 26 far 5 95 5 - 5.2-13.2 HE3 LYS 24 - HB3 LYS 31 far 5 95 5 - 6.7-20.0 HE3 LYS 24 - HB3 LYS 26 far 5 92 5 - 6.0-13.6 HE3 LYS 36 - HB3 LYS 26 lone 4 95 25 18 5.3-23.0 10721/10720=3, 10813/10751=2 HE2 LYS 24 - HB2 LYS 36 far 3 68 5 - 6.1-29.9 HE2 LYS 26 - HB3 LYS 24 lone 3 97 30 11 5.5-13.1 HE3 LYS 31 - HB3 LYS 19 far 0 100 0 - 7.4-27.0 HB2 CYS 45 - HB3 LYS 26 far 0 73 0 - 7.5-24.2 HE3 LYS 24 - HB2 LYS 36 far 0 64 0 - 7.5-29.6 HE3 LYS 31 - HB3 LYS 24 far 0 97 0 - 7.6-18.3 HE3 LYS 26 - HB3 LYS 19 far 0 99 0 - 7.6-23.7 HE2 LYS 31 - HB3 LYS 24 far 0 97 0 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.0-25.2 HB3 ASN 116 - HB3 LYS 24 far 0 70 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 75 0 - 8.8-31.5 HE3 LYS 39 - HB2 LYS 86 far 0 46 0 - 9.1-16.1 HB2 CYS 45 - HB3 LYS 31 far 0 77 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 81 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 268 from aliabs.peaks (2.95, 1.81, 32.58 ppm; 5.35 A): 18 out of 55 assignments used, quality = 1.00: HE2 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 * HE3 LYS 19 + HB3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-5.2 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.0-5.0 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.0-5.1 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 95 95 100 100 3.3-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 94 94 100 100 2.0-5.4 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 93 93 100 100 2.8-5.3 5.1=100 HE3 LYS 86 + HB2 LYS 86 OK 82 82 100 100 3.0-3.5 4.9=100 HE3 LYS 36 + HB2 LYS 36 OK 67 67 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 67 67 100 100 3.3-4.7 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 52 98 55 97 2.2-19.2 3.6/629=8, 3.6/273=6...(149) HE3 LYS 26 + HB3 LYS 31 OK 42 97 45 96 3.3-19.0 3.6/629=8, 3.6/273=6...(136) HE3 LYS 24 + HB3 LYS 19 OK 40 98 45 90 3.9-16.9 11770/3.0=4, 4.0/526=4...(127) HE2 LYS 24 + HB3 LYS 19 OK 32 100 35 92 2.6-16.3 11770/3.0=4, 4.0/526=4...(132) HE3 LYS 31 + HB3 LYS 26 OK 25 95 30 89 4.4-13.0 3.7/824=6, 3.7/835=5...(108) HE2 LYS 31 + HB3 LYS 26 OK 25 95 30 89 3.9-12.8 3.7/824=6, 3.7/835=5...(107) HE3 LYS 26 + HB2 LYS 36 OK 23 66 45 76 2.6-28.9 1004/1.8=12, ~1004=9...(25) HE2 LYS 19 - HB3 LYS 24 poor 19 97 20 - 3.5-17.2 HE3 LYS 26 - HB3 LYS 24 poor 19 95 20 - 4.8-12.9 HE2 LYS 26 - HB2 LYS 36 poor 19 68 35 80 2.4-29.4 1004/1.8=11, ~1004=9...(33) HE2 LYS 36 - HB3 LYS 26 poor 19 95 20 - 4.2-22.7 HB2 CYS 45 - HB2 LYS 36 poor 17 48 35 - 1.8-11.9 HE3 LYS 19 - HB3 LYS 24 poor 16 97 25 65 4.6-17.1 1026/2.9=2, 6.4/240=1...(28) HE3 LYS 36 - HB3 LYS 31 far 15 98 15 - 4.9-14.1 HE2 LYS 36 - HB3 LYS 31 far 15 98 15 - 5.3-14.3 HE3 LYS 31 - HB2 LYS 36 far 10 68 15 - 5.6-14.2 HE2 LYS 31 - HB2 LYS 36 far 10 68 15 - 6.2-12.8 HE2 LYS 24 - HB3 LYS 31 far 10 98 10 - 6.0-19.3 HE2 LYS 26 - HB3 LYS 19 far 5 100 5 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 5 100 5 - 6.5-26.1 HE2 LYS 19 - HB3 LYS 31 far 5 98 5 - 5.8-26.9 HE3 LYS 19 - HB3 LYS 31 far 5 98 5 - 6.2-27.1 HE2 LYS 36 - HB3 LYS 24 far 5 96 5 - 3.5-25.9 HE3 LYS 36 - HB3 LYS 24 far 5 96 5 - 5.2-26.7 HE2 LYS 24 - HB3 LYS 26 far 5 95 5 - 5.2-13.2 HE3 LYS 24 - HB3 LYS 31 far 5 95 5 - 6.7-20.0 HE3 LYS 24 - HB3 LYS 26 far 5 92 5 - 6.0-13.6 HE3 LYS 36 - HB3 LYS 26 lone 4 95 25 18 5.3-23.0 10721/10720=3, 10813/10751=2 HE2 LYS 24 - HB2 LYS 36 far 3 68 5 - 6.1-29.9 HE2 LYS 26 - HB3 LYS 24 lone 3 97 30 11 5.5-13.1 HE3 LYS 31 - HB3 LYS 19 far 0 100 0 - 7.4-27.0 HB2 CYS 45 - HB3 LYS 26 far 0 73 0 - 7.5-24.2 HE3 LYS 24 - HB2 LYS 36 far 0 64 0 - 7.5-29.6 HE3 LYS 31 - HB3 LYS 24 far 0 97 0 - 7.6-18.3 HE3 LYS 26 - HB3 LYS 19 far 0 99 0 - 7.6-23.7 HE2 LYS 31 - HB3 LYS 24 far 0 97 0 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.0-25.2 HB3 ASN 116 - HB3 LYS 24 far 0 70 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 96 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 75 0 - 8.8-31.5 HE3 LYS 39 - HB2 LYS 86 far 0 46 0 - 9.1-16.1 HB2 CYS 45 - HB3 LYS 31 far 0 77 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 100 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 81 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 271 from aliabs.peaks (4.27, 1.37, 24.54 ppm; 3.56 A): 9 out of 82 assignments used, quality = 1.00: * HA LYS 19 + HG2 LYS 19 OK 98 100 100 98 2.3-3.7 4.2=63, 3.0/6151=44...(41) HA LYS 26 + HG3 LYS 26 OK 88 89 100 99 2.6-3.9 4.0=68, 2.9/6253=46...(31) HA LYS 31 + HG3 LYS 31 OK 75 77 100 98 2.0-4.2 3.8=82, 822/1.8=23...(22) HA THR 18 + HG2 LYS 19 OK 55 97 60 93 4.0-7.3 10686=47, 226/6151=43...(18) HA LYS 36 + HG2 LYS 36 OK 43 44 100 99 2.3-3.8 4.1=64, 3.0/6394=51...(31) HA THR 25 + HG3 LYS 26 OK 36 70 60 86 3.0-7.7 3.6/6253=39, 11150=24...(21) HA THR 25 + HG2 LYS 24 OK 33 79 45 94 3.0-6.9 3.0/6234=41...(28) HA LYS 19 + HG2 LYS 24 OK 21 97 35 63 2.2-15.3 241=5, 822/1.8=5, ~281=2...(47) HA ARG 23 + HG2 LYS 24 OK 21 95 30 75 4.1-6.9 424/6222=60...(11) HA ALA 15 - HG2 LYS 19 poor 20 99 20 - 2.8-13.4 HA LYS 26 - HG3 LYS 31 poor 19 76 25 - 2.3-14.5 HA ALA 21 - HG2 LYS 24 poor 17 67 25 - 2.3-10.7 HA GLN 27 - HG3 LYS 26 poor 15 60 25 - 2.8-6.8 HA LEU 22 - HG2 LYS 24 poor 14 95 40 37 2.7-8.4 6212/6222=12...(10) HA LYS 31 - HG3 LYS 26 far 13 89 15 - 4.5-16.0 HA ARG 23 - HG3 LYS 26 poor 12 87 30 46 2.4-10.6 4.9/10729=25, 6240/522=4...(4) HA THR 25 - HG3 LYS 31 far 9 58 15 - 3.6-15.1 HA ALA 16 - HG3 LYS 31 far 8 75 10 - 5.0-27.2 HA LYS 31 - HG2 LYS 19 far 5 100 5 - 4.9-26.6 HA ALA 16 - HG2 LYS 19 far 5 100 5 - 4.7-10.8 HA LYS 26 - HG2 LYS 24 far 5 96 5 - 4.2-10.1 HA THR 18 - HG2 LYS 24 far 5 92 5 - 3.6-15.8 HA GLN 61 - HG3 LYS 26 far 4 86 5 - 2.5-25.1 HA LYS 36 - HG3 LYS 26 far 4 81 5 - 4.9-27.4 HA ALA 15 - HG3 LYS 31 far 4 73 5 - 5.0-26.0 HA THR 18 - HG3 LYS 31 far 4 71 5 - 3.2-23.1 HA THR 18 - HG2 LYS 36 far 2 46 5 - 4.1-34.5 HA ALA 21 - HG2 LYS 36 far 2 30 5 - 4.7-28.9 HA ARG 23 - HG3 LYS 31 far 0 74 0 - 5.1-16.2 HA ALA 28 - HG3 LYS 31 far 0 43 0 - 5.2-11.0 HA ALA 12 - HG2 LYS 19 far 0 93 0 - 5.5-18.1 HA LYS 19 - HG3 LYS 31 far 0 77 0 - 5.5-23.5 HA ALA 28 - HG3 LYS 26 far 0 53 0 - 5.7-9.0 HA GLN 27 - HG2 LYS 36 far 0 30 0 - 5.8-19.4 HA ALA 108 - HG2 LYS 24 far 0 95 0 - 5.9-39.9 HA LYS 36 - HG3 LYS 31 far 0 68 0 - 5.9-16.7 HA ALA 109 - HG3 LYS 26 far 0 88 0 - 6.0-34.4 HA GLN 27 - HG2 LYS 24 far 0 67 0 - 6.0-12.9 HA LYS 26 - HG2 LYS 19 far 0 100 0 - 6.3-22.3 HA ALA 15 - HG2 LYS 24 far 0 94 0 - 6.3-22.5 HA LEU 22 - HG2 LYS 19 far 0 99 0 - 6.4-12.3 HA ARG 23 - HG2 LYS 19 far 0 99 0 - 6.4-16.2 HA LYS 19 - HG2 LYS 36 far 0 50 0 - 6.5-33.1 HA LEU 22 - HG3 LYS 26 far 0 88 0 - 6.5-13.0 HA THR 25 - HG2 LYS 19 far 0 85 0 - 6.5-20.7 HA ALA 16 - HG2 LYS 36 far 0 49 0 - 6.5-33.7 HA ALA 110 - HG2 LYS 19 far 0 95 0 - 6.6-54.1 HA LYS 31 - HG2 LYS 24 far 0 97 0 - 6.7-19.6 HA GLN 27 - HG3 LYS 31 far 0 49 0 - 6.7-11.3 HA GLN 61 - HG2 LYS 24 far 0 94 0 - 6.9-23.9 HA ALA 28 - HG2 LYS 24 far 0 60 0 - 7.0-12.9 HA LYS 36 - HG2 LYS 24 far 0 89 0 - 7.0-29.4 HA ALA 109 - HG2 LYS 24 far 0 95 0 - 7.0-42.1 HA ALA 21 - HG2 LYS 19 far 0 73 0 - 7.0-10.1 HA LYS 31 - HG2 LYS 36 far 0 50 0 - 7.1-11.7 HA ALA 12 - HG3 LYS 31 far 0 66 0 - 7.2-27.9 HA THR 25 - HG2 LYS 36 far 0 37 0 - 7.3-23.3 HA LYS 26 - HG2 LYS 36 far 0 50 0 - 7.4-22.3 HA LYS 36 - HG2 LYS 19 far 0 95 0 - 7.5-37.3 HA ALA 108 - HG3 LYS 26 far 0 88 0 - 7.5-32.5 HA GLN 61 - HG3 LYS 31 far 0 73 0 - 7.6-22.6 HA ALA 15 - HG3 LYS 26 far 0 86 0 - 7.7-25.9 HA ALA 110 - HG3 LYS 26 far 0 81 0 - 7.7-35.7 HA LEU 22 - HG3 LYS 31 far 0 75 0 - 7.8-18.5 HA ALA 28 - HG2 LYS 19 far 0 65 0 - 7.8-23.6 HA ALA 21 - HG3 LYS 26 far 0 60 0 - 7.8-15.9 HA ALA 108 - HG3 LYS 31 far 0 75 0 - 7.9-31.1 HA ALA 109 - HG2 LYS 19 far 0 99 0 - 7.9-53.1 HA LYS 19 - HG3 LYS 26 far 0 90 0 - 8.0-21.2 HA ALA 15 - HG2 LYS 36 far 0 48 0 - 8.0-30.5 HA ALA 16 - HG2 LYS 24 far 0 96 0 - 8.0-20.4 HA ALA 12 - HG2 LYS 24 far 0 88 0 - 8.0-22.3 HA ARG 23 - HG2 LYS 36 far 0 48 0 - 8.2-26.0 HA SER 74 - HG3 LYS 31 far 0 62 0 - 8.3-24.6 HA ALA 21 - HG3 LYS 31 far 0 49 0 - 8.3-20.2 HA LEU 22 - HG2 LYS 36 far 0 49 0 - 9.0-29.7 HA GLN 61 - HG2 LYS 19 far 0 99 0 - 9.1-33.2 HA GLN 61 - HG2 LYS 36 far 0 48 0 - 9.6-21.9 HA ALA 108 - HG2 LYS 19 far 0 99 0 - 9.6-51.1 HA GLN 27 - HG2 LYS 19 far 0 73 0 - 9.7-23.1 HA ALA 110 - HG2 LYS 24 far 0 89 0 - 9.8-43.7 HA ALA 16 - HG3 LYS 26 far 0 88 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 272 from aliabs.peaks (1.74, 1.37, 24.54 ppm; 3.61 A): 5 out of 28 assignments used, quality = 1.00: * HB2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 97 97 100 100 2.2-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 31 OK 77 77 100 100 2.4-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 26 OK 32 90 40 90 2.0-14.6 494=8, 628/1.8=7...(77) HB2 LYS 24 - HG2 LYS 19 poor 20 100 20 - 3.4-16.9 HB2 LYS 19 - HG2 LYS 24 poor 19 97 20 - 3.7-16.8 HB2 ARG 23 - HG3 LYS 26 poor 17 85 20 - 3.9-12.1 HB2 LYS 26 - HG3 LYS 31 poor 15 76 20 - 3.1-14.0 HB2 LYS 19 - HG3 LYS 31 far 8 77 10 - 2.7-23.1 HB2 LYS 24 - HG3 LYS 31 far 8 77 10 - 3.7-17.1 HB2 ARG 23 - HG3 LYS 31 far 7 72 10 - 4.2-17.9 HB2 LYS 26 - HG2 LYS 24 far 5 97 5 - 2.2-11.2 HB2 ARG 23 - HG2 LYS 24 far 5 93 5 - 4.4-8.4 HB2 LYS 24 - HG2 LYS 36 far 3 50 5 - 4.2-27.3 HB2 LYS 31 - HG2 LYS 19 far 0 100 0 - 5.2-27.3 HB2 LYS 24 - HG3 LYS 26 far 0 89 0 - 5.4-11.1 HB2 LYS 26 - HG2 LYS 36 far 0 50 0 - 5.5-22.8 HB2 LYS 31 - HG2 LYS 24 far 0 97 0 - 5.6-19.7 HB2 LYS 19 - HG3 LYS 26 far 0 90 0 - 6.0-22.5 HB2 LYS 26 - HG2 LYS 19 far 0 100 0 - 6.4-24.5 HB2 LYS 31 - HG2 LYS 36 far 0 50 0 - 6.5-12.1 HB2 ARG 23 - HG2 LYS 36 far 0 47 0 - 6.8-24.5 HB2 LYS 19 - HG2 LYS 36 far 0 50 0 - 7.3-32.2 HB2 ARG 23 - HG2 LYS 19 far 0 98 0 - 7.6-15.2 HB2 LYS 39 - HG2 LYS 24 far 0 79 0 - 8.0-31.6 HB3 LEU 70 - HG2 LYS 36 far 0 24 0 - 8.9-15.5 HB2 LYS 39 - HG2 LYS 36 far 0 37 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 273 from aliabs.peaks (1.81, 1.37, 24.54 ppm; 3.36 A): 6 out of 45 assignments used, quality = 1.00: * HB3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.3-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 86 86 100 100 2.3-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 31 OK 75 75 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 46 46 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 26 OK 27 88 40 77 2.2-16.3 263=6, 1.8/272=5...(58) HB3 LYS 19 - HG2 LYS 24 poor 19 97 20 - 2.0-15.9 HB3 LYS 26 - HG3 LYS 31 poor 18 73 30 84 3.3-14.9 505=5, 619/1.8=4, ~823=3...(92) HB ILE 32 - HG2 LYS 36 poor 15 50 30 - 3.5-7.7 HB3 ARG 23 - HG3 LYS 26 far 12 83 15 - 2.7-12.0 HB3 LYS 24 - HG2 LYS 19 far 10 99 10 - 3.4-16.0 HB ILE 32 - HG3 LYS 26 far 9 89 10 - 3.9-17.4 HB ILE 32 - HG3 LYS 31 far 8 76 10 - 4.7-8.2 HB3 ARG 23 - HG3 LYS 31 far 7 70 10 - 4.3-17.8 HB3 LYS 31 - HG2 LYS 19 far 5 100 5 - 4.7-26.5 HB3 LYS 26 - HG2 LYS 24 far 5 94 5 - 2.9-11.3 HB2 LYS 36 - HG3 LYS 26 far 4 84 5 - 4.6-27.1 HB3 LYS 19 - HG3 LYS 31 far 4 77 5 - 3.7-24.3 HB3 LYS 24 - HG3 LYS 31 far 4 74 5 - 4.8-17.7 HB2 LYS 36 - HG3 LYS 31 far 4 71 5 - 3.8-16.2 HB3 LEU 98 - HG2 LYS 24 far 3 67 5 - 4.6-35.1 HB3 LYS 24 - HG2 LYS 36 far 2 48 5 - 4.9-26.5 HB3 LYS 31 - HG2 LYS 24 far 0 96 0 - 5.1-19.1 HB3 ARG 23 - HG2 LYS 24 far 0 91 0 - 5.3-7.8 HB3 LYS 24 - HG3 LYS 26 far 0 87 0 - 5.4-11.5 HB2 LEU 48 - HG3 LYS 26 far 0 50 0 - 5.4-28.2 HB2 LYS 36 - HG2 LYS 24 far 0 92 0 - 5.6-29.5 HB3 LYS 26 - HG2 LYS 19 far 0 99 0 - 6.0-24.6 HB3 ARG 23 - HG2 LYS 36 far 0 45 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 48 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 90 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 96 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 49 0 - 7.5-13.3 HB2 LEU 48 - HG2 LYS 24 far 0 57 0 - 7.7-28.4 HB2 LEU 48 - HG2 LYS 36 far 0 25 0 - 7.9-18.4 HB2 LEU 48 - HG2 LYS 19 far 0 63 0 - 7.9-36.2 HB2 LEU 48 - HG3 LYS 31 far 0 41 0 - 8.0-23.4 HB3 LYS 19 - HG2 LYS 36 far 0 50 0 - 8.2-32.7 HB3 ARG 23 - HG2 LYS 19 far 0 97 0 - 8.4-16.3 HB3 LEU 98 - HG3 LYS 26 far 0 60 0 - 8.5-28.4 HB2 CYS 79 - HG2 LYS 36 far 0 32 0 - 8.7-18.1 HB2 CYS 79 - HG2 LYS 19 far 0 76 0 - 8.9-38.4 HB3 LEU 122 - HG2 LYS 24 far 0 83 0 - 9.0-29.6 HB2 LYS 36 - HG2 LYS 19 far 0 97 0 - 9.5-36.6 HB3 LEU 103 - HG3 LYS 26 far 0 79 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 274 from aliabs.peaks (1.37, 1.37, 24.54 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 95 95 - 100 HG3 LYS 26 + HG3 LYS 26 OK 83 83 - 100 HG3 LYS 31 + HG3 LYS 31 OK 65 65 - 100 HG2 LYS 36 + HG2 LYS 36 OK 46 46 - 100 Peak 275 from aliabs.peaks (1.44, 1.37, 24.54 ppm; 2.50 A): 5 out of 34 assignments used, quality = 1.00: * HG3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 87 87 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 58 58 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 34 34 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 9 85 10 - 2.6-15.5 HG3 LYS 24 - HG2 LYS 19 far 5 97 5 - 2.1-17.9 HG13 ILE 32 - HG3 LYS 31 far 4 72 5 - 3.5-8.4 HG2 LYS 31 - HG3 LYS 26 far 4 70 5 - 3.8-16.9 HG3 LYS 36 - HG3 LYS 31 far 0 55 0 - 4.1-14.2 HG3 LYS 19 - HG2 LYS 24 far 0 97 0 - 4.1-17.9 HG3 LYS 24 - HG3 LYS 26 far 0 84 0 - 4.4-11.5 HG3 LYS 19 - HG3 LYS 31 far 0 77 0 - 4.5-25.5 HG2 LYS 26 - HG3 LYS 31 far 0 74 0 - 4.7-16.4 HG2 LYS 26 - HG2 LYS 24 far 0 95 0 - 4.7-11.2 QB ALA 34 - HG2 LYS 36 far 0 32 0 - 4.7-7.2 QB ALA 34 - HG2 LYS 24 far 0 70 0 - 5.4-22.7 HG3 LYS 36 - HG2 LYS 24 far 0 74 0 - 5.4-28.0 QB ALA 34 - HG3 LYS 26 far 0 62 0 - 5.5-19.0 HG13 ILE 32 - HG2 LYS 36 far 0 47 0 - 5.5-9.7 HG2 LYS 31 - HG2 LYS 24 far 0 79 0 - 5.6-17.7 HG2 LYS 31 - HG2 LYS 19 far 0 85 0 - 5.6-25.5 HG3 LYS 24 - HG3 LYS 31 far 0 71 0 - 5.7-17.0 HG3 LYS 24 - HG2 LYS 36 far 0 46 0 - 6.1-25.7 HG3 LYS 36 - HG3 LYS 26 far 0 66 0 - 6.2-25.2 HG2 LYS 31 - HG2 LYS 36 far 0 37 0 - 6.3-14.0 HG2 LYS 26 - HG2 LYS 36 far 0 48 0 - 6.3-25.0 HG13 ILE 32 - HG2 LYS 24 far 0 93 0 - 7.5-18.3 QB ALA 34 - HG3 LYS 31 far 0 51 0 - 7.6-12.0 HG3 LYS 19 - HG3 LYS 26 far 0 90 0 - 7.8-23.7 HG3 LYS 36 - HG2 LYS 19 far 0 81 0 - 8.0-34.6 HG3 LYS 19 - HG2 LYS 36 far 0 50 0 - 8.2-34.3 HG2 LYS 26 - HG2 LYS 19 far 0 99 0 - 8.7-25.7 HG13 ILE 32 - HG2 LYS 19 far 0 98 0 - 8.9-25.0 Violated in 0 structures by 0.00 A. Peak 276 from aliabs.peaks (1.65, 1.37, 24.54 ppm; 3.34 A): 10 out of 63 assignments used, quality = 1.00: * HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 85 85 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 82 82 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 75 75 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 73 73 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 45 45 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 44 44 100 100 2.3-3.0 3.0=100 HD3 LYS 24 - HG2 LYS 19 far 15 100 15 - 2.7-16.9 HD2 LYS 19 - HG2 LYS 24 far 15 97 15 - 3.2-16.1 HD3 LYS 19 - HG2 LYS 24 far 15 97 15 - 2.1-17.8 HD2 LYS 24 - HG2 LYS 19 far 14 97 15 - 3.0-17.8 HD3 LYS 31 - HG3 LYS 26 far 13 86 15 - 3.4-15.4 HD2 LYS 26 - HG3 LYS 31 far 7 72 10 - 4.8-17.0 HD3 LYS 24 - HG3 LYS 26 far 4 89 5 - 3.7-11.0 HD2 LYS 31 - HG3 LYS 26 far 4 88 5 - 3.6-15.7 HD2 LYS 19 - HG3 LYS 31 far 4 77 5 - 4.6-25.3 HD3 LYS 19 - HG3 LYS 31 far 4 76 5 - 4.1-26.6 HD3 LYS 36 - HG3 LYS 31 far 4 70 5 - 4.6-13.4 HD3 LYS 26 - HG3 LYS 31 far 3 69 5 - 3.0-16.8 HD2 LYS 36 - HG3 LYS 31 far 3 69 5 - 4.8-13.4 HG LEU 22 - HG2 LYS 24 far 3 55 5 - 4.3-9.2 HD2 LYS 36 - HG3 LYS 26 far 0 82 0 - 4.8-22.9 HB2 LEU 98 - HG2 LYS 24 far 0 96 0 - 4.9-36.4 HG LEU 22 - HG2 LYS 19 far 0 60 0 - 5.0-12.9 HD3 LYS 26 - HG2 LYS 36 far 0 44 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 90 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 90 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 83 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 93 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 47 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 76 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 83 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 70 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 49 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 91 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 48 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 89 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 45 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 100 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 94 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 96 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 50 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 55 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 99 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 96 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 77 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 50 0 - 8.1-26.2 HG LEU 22 - HG3 LYS 26 far 0 48 0 - 8.2-14.8 HD3 LYS 95 - HG2 LYS 24 far 0 93 0 - 8.2-35.5 HG LEU 22 - HG3 LYS 31 far 0 39 0 - 8.3-20.9 HD2 LYS 26 - HG2 LYS 19 far 0 98 0 - 8.4-23.4 HG LEU 22 - HG2 LYS 36 far 0 24 0 - 8.6-31.4 HD2 LYS 95 - HG2 LYS 24 far 0 96 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 48 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 89 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 50 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 88 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 97 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 100 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 277 from aliabs.peaks (1.65, 1.37, 24.54 ppm; 3.33 A): 10 out of 67 assignments used, quality = 1.00: * HD3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 83 83 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 79 79 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 74 74 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 71 71 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 44 44 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 43 43 100 100 2.3-3.0 3.0=100 HD3 LYS 24 - HG2 LYS 19 far 15 100 15 - 2.7-16.9 HD3 LYS 19 - HG2 LYS 24 far 15 97 15 - 2.1-17.8 HD2 LYS 19 - HG2 LYS 24 far 15 97 15 - 3.2-16.1 HD2 LYS 24 - HG2 LYS 19 far 14 95 15 - 3.0-17.8 HD3 LYS 31 - HG3 LYS 26 far 13 84 15 - 3.4-15.4 HD2 LYS 26 - HG3 LYS 31 far 7 70 10 - 4.8-17.0 HD3 LYS 24 - HG3 LYS 26 far 4 88 5 - 3.7-11.0 HD2 LYS 31 - HG3 LYS 26 far 4 87 5 - 3.6-15.7 HD3 LYS 19 - HG3 LYS 31 far 4 77 5 - 4.1-26.6 HD2 LYS 19 - HG3 LYS 31 far 4 76 5 - 4.6-25.3 HD3 LYS 36 - HG3 LYS 31 far 3 68 5 - 4.6-13.4 HD3 LYS 26 - HG3 LYS 31 far 3 66 5 - 3.0-16.8 HD2 LYS 36 - HG3 LYS 31 far 3 66 5 - 4.8-13.4 HG LEU 22 - HG2 LYS 24 far 3 60 5 - 4.3-9.2 HG3 ARG 23 - HG3 LYS 31 far 2 41 5 - 4.8-19.1 HD2 LYS 36 - HG3 LYS 26 far 0 79 0 - 4.8-22.9 HB2 LEU 98 - HG2 LYS 24 far 0 97 0 - 4.9-36.4 HG LEU 22 - HG2 LYS 19 far 0 65 0 - 5.0-12.9 HD3 LYS 26 - HG2 LYS 36 far 0 43 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 88 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 88 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 81 0 - 5.3-11.0 HG3 ARG 23 - HG3 LYS 26 far 0 50 0 - 5.5-13.7 HG3 ARG 23 - HG2 LYS 24 far 0 57 0 - 5.7-9.1 HD2 LYS 26 - HG2 LYS 24 far 0 91 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 45 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 75 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 81 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 68 0 - 6.0-16.9 HG3 ARG 23 - HG2 LYS 19 far 0 63 0 - 6.0-13.8 HD2 LYS 31 - HG2 LYS 36 far 0 48 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 89 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 46 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 89 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 44 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 99 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 92 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 95 0 - 7.0-16.7 HG3 ARG 23 - HG2 LYS 36 far 0 25 0 - 7.0-26.0 HB2 LEU 69 - HG2 LYS 36 far 0 50 0 - 7.2-12.8 HD3 LYS 31 - HG2 LYS 19 far 0 97 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 93 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 76 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 49 0 - 8.1-26.2 HG LEU 22 - HG3 LYS 26 far 0 53 0 - 8.2-14.8 HD3 LYS 95 - HG2 LYS 24 far 0 91 0 - 8.2-35.5 HG LEU 22 - HG3 LYS 31 far 0 43 0 - 8.3-20.9 HD2 LYS 26 - HG2 LYS 19 far 0 97 0 - 8.4-23.4 HG LEU 22 - HG2 LYS 36 far 0 26 0 - 8.6-31.4 HD2 LYS 95 - HG2 LYS 24 far 0 95 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 49 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 89 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 50 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 89 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 95 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 100 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 278 from aliabs.peaks (2.95, 1.37, 24.54 ppm; 4.05 A): 10 out of 53 assignments used, quality = 1.00: HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.0-2.8 3.8=100 * HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.2 3.8=100 HE2 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 89 89 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 88 88 100 100 2.1-4.1 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.4-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 50 50 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 50 50 100 100 2.6-4.2 4.0=100 HE2 LYS 24 - HG2 LYS 19 poor 20 100 20 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 20 98 20 - 3.9-19.3 HE2 LYS 36 - HG3 LYS 31 far 11 76 15 - 4.3-14.3 HE3 LYS 36 - HG3 LYS 31 far 11 76 15 - 4.5-14.3 HE3 LYS 26 - HG3 LYS 31 far 11 75 15 - 4.8-18.3 HE3 LYS 19 - HG2 LYS 24 far 10 97 10 - 3.6-18.0 HE2 LYS 19 - HG2 LYS 24 far 10 97 10 - 4.3-16.8 HE2 LYS 31 - HG3 LYS 26 far 9 89 10 - 5.0-15.0 HE3 LYS 36 - HG3 LYS 26 far 9 89 10 - 4.4-24.9 HE2 LYS 36 - HG3 LYS 26 far 9 89 10 - 4.6-24.5 HE2 LYS 26 - HG3 LYS 31 far 8 76 10 - 4.3-18.5 HB2 CYS 45 - HG2 LYS 36 poor 7 34 20 - 4.8-12.0 HE2 LYS 26 - HG2 LYS 36 far 5 50 10 - 5.0-27.0 HE3 LYS 26 - HG2 LYS 36 far 5 49 10 - 5.1-26.6 HE2 LYS 36 - HG2 LYS 24 far 5 96 5 - 4.2-26.3 HE3 LYS 26 - HG2 LYS 24 far 5 95 5 - 5.4-12.1 HE2 LYS 24 - HG3 LYS 26 far 4 89 5 - 5.0-12.3 HE3 LYS 24 - HG3 LYS 26 far 4 85 5 - 5.5-12.7 HE2 LYS 24 - HG3 LYS 31 far 4 76 5 - 4.1-18.0 HE3 LYS 24 - HG3 LYS 31 far 4 72 5 - 5.2-18.7 HE3 LYS 31 - HG2 LYS 36 far 2 50 5 - 5.1-14.9 HE2 LYS 31 - HG2 LYS 36 far 2 50 5 - 5.3-13.7 HE3 LYS 36 - HG2 LYS 24 far 0 96 0 - 5.7-27.3 HE3 LYS 31 - HG3 LYS 26 far 0 89 0 - 5.8-14.5 HE2 LYS 26 - HG2 LYS 24 far 0 96 0 - 5.9-12.0 HB3 ASN 116 - HG2 LYS 24 far 0 70 0 - 5.9-34.7 HE2 LYS 24 - HG2 LYS 36 far 0 50 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.4-26.3 HE3 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 96 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 100 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 74 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 96 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 66 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 47 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 55 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 74 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 100 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 100 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 50 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 60 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 50 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 279 from aliabs.peaks (2.95, 1.37, 24.54 ppm; 4.05 A): 10 out of 53 assignments used, quality = 1.00: * HE3 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 100 100 100 100 2.3-3.2 3.8=100 HE2 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.1-4.2 4.0=100 HE2 LYS 26 + HG3 LYS 26 OK 89 89 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 88 88 100 100 2.1-4.1 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 76 76 100 100 2.4-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 50 50 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 50 50 100 100 2.6-4.2 4.0=100 HE2 LYS 24 - HG2 LYS 19 poor 20 100 20 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 20 98 20 - 3.9-19.3 HE2 LYS 36 - HG3 LYS 31 far 11 76 15 - 4.3-14.3 HE3 LYS 36 - HG3 LYS 31 far 11 76 15 - 4.5-14.3 HE3 LYS 26 - HG3 LYS 31 far 11 75 15 - 4.8-18.3 HE3 LYS 19 - HG2 LYS 24 far 10 97 10 - 3.6-18.0 HE2 LYS 19 - HG2 LYS 24 far 10 97 10 - 4.3-16.8 HE2 LYS 31 - HG3 LYS 26 far 9 89 10 - 5.0-15.0 HE3 LYS 36 - HG3 LYS 26 far 9 89 10 - 4.4-24.9 HE2 LYS 36 - HG3 LYS 26 far 9 89 10 - 4.6-24.5 HE2 LYS 26 - HG3 LYS 31 far 8 76 10 - 4.3-18.5 HB2 CYS 45 - HG2 LYS 36 poor 7 34 20 - 4.8-12.0 HE2 LYS 26 - HG2 LYS 36 far 5 50 10 - 5.0-27.0 HE3 LYS 26 - HG2 LYS 36 far 5 49 10 - 5.1-26.6 HE2 LYS 36 - HG2 LYS 24 far 5 96 5 - 4.2-26.3 HE3 LYS 26 - HG2 LYS 24 far 5 95 5 - 5.4-12.1 HE2 LYS 24 - HG3 LYS 26 far 4 89 5 - 5.0-12.3 HE3 LYS 24 - HG3 LYS 26 far 4 85 5 - 5.5-12.7 HE2 LYS 24 - HG3 LYS 31 far 4 76 5 - 4.1-18.0 HE3 LYS 24 - HG3 LYS 31 far 4 72 5 - 5.2-18.7 HE3 LYS 31 - HG2 LYS 36 far 2 50 5 - 5.1-14.9 HE2 LYS 31 - HG2 LYS 36 far 2 50 5 - 5.3-13.7 HE3 LYS 36 - HG2 LYS 24 far 0 96 0 - 5.7-27.3 HE3 LYS 31 - HG3 LYS 26 far 0 89 0 - 5.8-14.5 HE2 LYS 26 - HG2 LYS 24 far 0 96 0 - 5.9-12.0 HB3 ASN 116 - HG2 LYS 24 far 0 70 0 - 5.9-34.7 HE2 LYS 24 - HG2 LYS 36 far 0 50 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.4-26.3 HE3 LYS 31 - HG2 LYS 19 far 0 100 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 77 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 96 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 100 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 74 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 96 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 66 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 47 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 55 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 74 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 100 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 100 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 50 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 60 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 50 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 282 from aliabs.peaks (4.27, 1.44, 24.54 ppm; 3.70 A): 5 out of 68 assignments used, quality = 1.00: * HA LYS 19 + HG3 LYS 19 OK 99 100 100 99 2.6-4.0 4.2=71, 3.0/6152=41...(40) HA LYS 26 + HG2 LYS 26 OK 96 97 100 99 2.3-4.1 4.0=77, 2.9/6252=58...(30) HA LYS 31 + HG2 LYS 31 OK 61 61 100 99 2.1-4.2 3.8=92, ~6332=22...(25) HA THR 25 + HG2 LYS 26 OK 32 79 45 91 4.4-7.2 3.6/6252=49...(25) HA THR 25 + HG3 LYS 24 OK 24 71 35 95 3.0-7.0 ~6234=26, 3.0/6235=22...(30) HA LYS 19 - HG3 LYS 24 poor 20 90 40 55 1.9-15.2 597=5, 241/1.8=4...(14) HA ALA 15 - HG3 LYS 19 poor 20 99 20 - 3.0-14.8 HA LYS 26 - HG2 LYS 31 poor 18 61 30 - 3.2-15.5 HA GLN 27 - HG2 LYS 26 poor 17 68 25 - 3.0-6.8 HA ALA 21 - HG3 LYS 24 poor 15 60 25 - 2.9-11.0 HA LYS 31 - HG2 LYS 26 far 15 97 15 - 4.3-17.0 HA LEU 22 - HG3 LYS 24 poor 10 88 30 38 4.0-9.2 6212/6223=11, 375/821=7...(9) HA ARG 23 - HG2 LYS 26 poor 8 95 30 28 1.9-10.9 424/6252=3, 6240/6235=3...(9) HA THR 25 - HG2 LYS 31 far 7 45 15 - 2.1-16.1 HA ALA 16 - HG2 LYS 31 far 6 60 10 - 4.0-28.1 HA ARG 23 - HG2 LYS 31 far 6 59 10 - 3.9-16.8 HA LYS 31 - HG3 LYS 19 far 5 100 5 - 4.9-27.9 HA ALA 16 - HG3 LYS 19 far 5 100 5 - 5.0-11.8 HA ALA 109 - HG2 LYS 26 far 5 96 5 - 4.3-33.1 HA LEU 22 - HG2 LYS 26 far 5 96 5 - 4.9-13.9 HA GLN 61 - HG2 LYS 26 far 5 94 5 - 1.9-24.5 HA ALA 12 - HG3 LYS 19 far 5 93 5 - 5.2-19.0 HA LYS 36 - HG2 LYS 26 far 4 89 5 - 4.1-27.7 HA ARG 23 - HG3 LYS 24 far 4 88 5 - 4.1-7.1 HA ALA 15 - HG3 LYS 24 far 4 87 5 - 5.0-22.0 HA THR 18 - HG3 LYS 24 far 4 85 5 - 3.7-15.7 HA THR 25 - HG3 LYS 19 far 4 85 5 - 5.1-20.2 HA ALA 15 - HG2 LYS 31 far 3 58 5 - 3.6-24.5 HA THR 18 - HG2 LYS 31 far 3 56 5 - 2.4-23.7 HA THR 18 - HG3 LYS 19 far 0 97 0 - 5.2-7.2 HA LYS 26 - HG3 LYS 19 far 0 100 0 - 5.3-21.7 HA LYS 36 - HG2 LYS 31 far 0 53 0 - 5.4-17.1 HA GLN 27 - HG3 LYS 24 far 0 60 0 - 5.4-13.3 HA LYS 26 - HG3 LYS 24 far 0 90 0 - 5.5-9.6 HA ALA 28 - HG3 LYS 24 far 0 53 0 - 5.5-13.3 HA ALA 28 - HG2 LYS 31 far 0 33 0 - 5.6-11.4 HA ALA 108 - HG3 LYS 24 far 0 88 0 - 5.6-39.9 HA LYS 19 - HG2 LYS 31 far 0 61 0 - 5.8-24.5 HA LYS 31 - HG3 LYS 24 far 0 90 0 - 6.1-18.0 HA GLN 27 - HG2 LYS 31 far 0 38 0 - 6.3-11.7 HA ALA 108 - HG2 LYS 26 far 0 96 0 - 6.4-30.9 HA ALA 110 - HG2 LYS 26 far 0 89 0 - 6.5-34.3 HA ARG 23 - HG3 LYS 19 far 0 99 0 - 6.5-15.5 HA ALA 28 - HG2 LYS 26 far 0 60 0 - 6.6-9.5 HA LYS 36 - HG3 LYS 24 far 0 81 0 - 6.7-27.7 HA ALA 21 - HG2 LYS 26 far 0 68 0 - 6.9-16.4 HA ALA 16 - HG3 LYS 24 far 0 89 0 - 7.1-19.8 HA ALA 28 - HG3 LYS 19 far 0 65 0 - 7.5-22.4 HA LEU 22 - HG3 LYS 19 far 0 99 0 - 7.6-11.9 HA LYS 19 - HG2 LYS 26 far 0 97 0 - 7.6-22.5 HA ALA 109 - HG3 LYS 24 far 0 88 0 - 7.6-42.1 HA ALA 110 - HG3 LYS 19 far 0 95 0 - 7.6-53.8 HA ALA 21 - HG3 LYS 19 far 0 73 0 - 7.7-10.2 HA ALA 12 - HG2 LYS 31 far 0 52 0 - 7.9-26.4 HA ALA 21 - HG2 LYS 31 far 0 38 0 - 7.9-21.0 HA LYS 36 - HG3 LYS 19 far 0 95 0 - 8.1-37.0 HA GLN 61 - HG2 LYS 31 far 0 58 0 - 8.3-22.4 HA LEU 22 - HG2 LYS 31 far 0 59 0 - 8.4-19.0 HA ALA 109 - HG3 LYS 19 far 0 99 0 - 8.5-52.9 HA GLN 61 - HG3 LYS 24 far 0 87 0 - 8.6-24.5 HA ALA 15 - HG2 LYS 26 far 0 94 0 - 8.6-26.7 HA GLN 61 - HG3 LYS 19 far 0 99 0 - 8.6-32.8 HA ALA 12 - HG3 LYS 24 far 0 80 0 - 8.7-22.6 HA GLN 27 - HG3 LYS 19 far 0 73 0 - 9.1-22.4 HA ALA 108 - HG2 LYS 31 far 0 59 0 - 9.6-32.1 HA ALA 108 - HG3 LYS 19 far 0 99 0 - 9.7-51.0 HA SER 74 - HG2 LYS 31 far 0 48 0 - 9.8-25.4 HA ALA 110 - HG3 LYS 24 far 0 81 0 - 9.8-43.9 Violated in 0 structures by 0.00 A. Peak 283 from aliabs.peaks (1.74, 1.44, 24.54 ppm; 3.53 A): 5 out of 23 assignments used, quality = 1.00: * HB2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 90 90 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HG2 LYS 26 OK 26 97 30 88 1.9-15.6 1.8/629=7, 639/1.8=6...(70) HB2 LYS 26 - HG2 LYS 31 poor 15 61 25 - 3.5-15.2 HB2 LYS 19 - HG3 LYS 24 poor 15 90 25 65 3.6-16.4 253=3, 1.8/284=3...(24) HB2 ARG 23 - HG2 LYS 26 poor 7 94 25 31 2.9-13.2 433/6252=3, 834/1.8=2...(7) HB2 LYS 19 - HG2 LYS 31 far 6 61 10 - 3.6-24.3 HB2 LYS 24 - HG3 LYS 19 far 5 100 5 - 2.7-16.0 HB2 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.6-28.5 HB2 LYS 26 - HG3 LYS 24 far 5 90 5 - 2.9-11.4 HB2 LYS 24 - HG2 LYS 31 far 3 61 5 - 4.1-17.7 HB2 ARG 23 - HG2 LYS 31 far 3 57 5 - 3.9-18.6 HB2 LYS 24 - HG2 LYS 26 far 0 97 0 - 5.2-11.5 HB2 ARG 23 - HG3 LYS 24 far 0 86 0 - 5.7-8.6 HB2 LYS 26 - HG3 LYS 19 far 0 100 0 - 6.0-24.0 HB2 LYS 19 - HG2 LYS 26 far 0 97 0 - 6.0-23.9 HB2 LYS 31 - HG3 LYS 24 far 0 90 0 - 6.7-18.1 HB2 ARG 23 - HG3 LYS 19 far 0 98 0 - 7.5-15.3 HG LEU 100 - HG2 LYS 26 far 0 52 0 - 9.3-23.0 HB2 LYS 39 - HG3 LYS 24 far 0 71 0 - 9.7-30.3 HB2 LYS 39 - HG3 LYS 19 far 0 85 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 284 from aliabs.peaks (1.81, 1.44, 24.54 ppm; 3.43 A): 5 out of 37 assignments used, quality = 1.00: * HB3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 88 88 100 100 2.2-3.0 2.9=100 HB3 LYS 31 + HG2 LYS 31 OK 60 60 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG2 LYS 26 OK 28 96 35 84 2.5-17.3 1.8/628=6, 619=5...(68) HB3 LYS 19 - HG3 LYS 24 poor 16 90 30 58 2.0-15.5 264=3, 3.0/282=3...(24) HB3 LYS 26 - HG2 LYS 31 poor 15 58 25 - 3.6-16.1 HB3 LYS 24 - HG3 LYS 19 far 10 99 10 - 3.9-16.0 HB ILE 32 - HG2 LYS 26 far 10 96 10 - 3.7-17.7 HB2 LYS 36 - HG2 LYS 26 far 9 93 10 - 4.0-27.3 HB3 ARG 23 - HG2 LYS 26 poor 6 92 25 25 2.0-12.6 442/6252=4, 1.8/628=2...(4) HB3 ARG 23 - HG2 LYS 31 far 6 55 10 - 4.4-18.6 HB3 LYS 31 - HG3 LYS 19 far 5 100 5 - 4.5-27.7 HB3 LYS 26 - HG3 LYS 24 far 4 87 5 - 3.6-11.7 HB3 LYS 19 - HG2 LYS 31 far 3 61 5 - 4.2-25.3 HB3 LEU 98 - HG3 LYS 24 far 3 60 5 - 3.0-34.9 HB3 LYS 24 - HG2 LYS 31 far 3 59 5 - 4.5-18.4 HB2 LYS 36 - HG2 LYS 31 far 3 56 5 - 3.7-16.4 HB3 LYS 31 - HG3 LYS 24 far 0 89 0 - 5.0-17.6 HB3 LYS 24 - HG2 LYS 26 far 0 95 0 - 5.5-11.9 HB2 LYS 36 - HG3 LYS 24 far 0 85 0 - 5.5-27.7 HB3 LYS 26 - HG3 LYS 19 far 0 99 0 - 5.6-24.0 HB2 LEU 48 - HG2 LYS 26 far 0 58 0 - 5.7-28.1 HB3 ARG 23 - HG3 LYS 24 far 0 84 0 - 6.1-8.0 HB ILE 32 - HG2 LYS 31 far 0 60 0 - 6.4-8.5 HB3 LYS 19 - HG2 LYS 26 far 0 97 0 - 6.8-23.3 HB ILE 32 - HG3 LYS 24 far 0 89 0 - 6.8-18.6 HB2 LEU 48 - HG3 LYS 19 far 0 63 0 - 6.8-36.3 HB2 LEU 48 - HG3 LYS 24 far 0 51 0 - 7.2-27.0 HB2 CYS 79 - HG3 LYS 19 far 0 76 0 - 7.5-38.9 HB2 LEU 48 - HG2 LYS 31 far 0 31 0 - 7.8-23.7 HB3 LEU 122 - HG3 LYS 24 far 0 75 0 - 7.8-29.5 HB3 ARG 23 - HG3 LYS 19 far 0 97 0 - 8.1-15.4 HB3 LEU 103 - HG2 LYS 26 far 0 88 0 - 8.4-24.6 HB3 LEU 98 - HG2 LYS 26 far 0 68 0 - 8.7-28.6 HB2 LEU 100 - HG2 LYS 26 far 0 86 0 - 9.8-23.7 HB ILE 32 - HG3 LYS 19 far 0 100 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 285 from aliabs.peaks (1.37, 1.44, 24.54 ppm; 2.50 A): 4 out of 56 assignments used, quality = 1.00: * HG2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 26 + HG2 LYS 26 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 88 88 100 100 1.8-1.8 1.8=100 HG3 LYS 31 + HG2 LYS 31 OK 51 51 100 100 1.8-1.8 1.8=100 QB ALA 12 - HG3 LYS 19 far 14 97 15 - 2.7-16.5 QB ALA 28 - HG2 LYS 31 far 8 52 15 - 2.8-9.3 QB ALA 15 - HG3 LYS 19 far 5 97 5 - 2.8-13.3 HG2 LYS 19 - HG3 LYS 24 far 5 90 5 - 2.1-17.9 QB ALA 29 - HG3 LYS 24 far 4 87 5 - 3.5-13.3 QB ALA 108 - HG3 LYS 24 far 4 86 5 - 3.1-32.2 QB ALA 15 - HG3 LYS 24 far 4 84 5 - 2.8-17.3 QB ALA 16 - HG3 LYS 19 far 4 81 5 - 3.6-10.3 QB ALA 28 - HG3 LYS 24 far 4 80 5 - 3.9-12.7 QB ALA 15 - HG2 LYS 31 far 3 55 5 - 2.6-22.0 HG3 LYS 26 - HG2 LYS 31 far 3 55 5 - 3.8-16.9 QB ALA 21 - HG3 LYS 24 far 0 60 0 - 4.1-9.9 HG2 LYS 24 - HG3 LYS 19 far 0 99 0 - 4.1-17.9 QB ALA 110 - HG2 LYS 26 far 0 90 0 - 4.2-29.3 QB ALA 16 - HG2 LYS 31 far 0 42 0 - 4.4-24.2 HG3 LYS 26 - HG3 LYS 24 far 0 84 0 - 4.4-11.5 HG3 LYS 31 - HG3 LYS 19 far 0 92 0 - 4.5-25.5 QB ALA 29 - HG2 LYS 31 far 0 58 0 - 4.5-9.2 QB ALA 28 - HG3 LYS 19 far 0 93 0 - 4.5-20.6 HG3 LYS 31 - HG2 LYS 26 far 0 86 0 - 4.7-16.4 HG2 LYS 24 - HG2 LYS 26 far 0 96 0 - 4.7-11.2 QB ALA 108 - HG2 LYS 26 far 0 94 0 - 4.8-24.8 QB ALA 16 - HG3 LYS 24 far 0 67 0 - 4.9-17.0 QB ALA 21 - HG2 LYS 31 far 0 38 0 - 4.9-19.1 QB ALA 12 - HG2 LYS 31 far 0 55 0 - 5.1-21.9 HG3 LYS 95 - HG3 LYS 24 far 0 78 0 - 5.2-35.5 HG2 LYS 24 - HG2 LYS 31 far 0 59 0 - 5.6-17.7 HG2 LYS 19 - HG2 LYS 31 far 0 61 0 - 5.6-25.5 QB ALA 109 - HG2 LYS 26 far 0 83 0 - 5.6-28.0 HG3 LYS 31 - HG3 LYS 24 far 0 78 0 - 5.7-17.0 QB ALA 21 - HG3 LYS 19 far 0 73 0 - 5.8-8.5 QB ALA 28 - HG2 LYS 26 far 0 88 0 - 5.9-8.4 QB ALA 29 - HG2 LYS 26 far 0 94 0 - 6.0-10.1 QB ALA 109 - HG3 LYS 19 far 0 89 0 - 6.0-42.7 HG2 LYS 36 - HG3 LYS 24 far 0 85 0 - 6.1-25.7 HG2 LYS 95 - HG3 LYS 24 far 0 73 0 - 6.2-35.3 HG2 LYS 36 - HG2 LYS 31 far 0 56 0 - 6.3-14.0 HG2 LYS 36 - HG2 LYS 26 far 0 93 0 - 6.3-25.0 QB ALA 12 - HG3 LYS 24 far 0 84 0 - 6.4-17.3 QB ALA 110 - HG3 LYS 19 far 0 96 0 - 7.3-45.2 QB ALA 109 - HG3 LYS 24 far 0 75 0 - 7.4-33.8 QB ALA 21 - HG2 LYS 26 far 0 68 0 - 7.5-14.5 QB ALA 29 - HG3 LYS 19 far 0 99 0 - 7.7-21.6 HG3 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.8-23.7 HG2 LYS 36 - HG3 LYS 19 far 0 97 0 - 8.2-34.3 QB ALA 15 - HG2 LYS 26 far 0 92 0 - 8.2-21.4 HG2 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.7-25.7 QB ALA 108 - HG2 LYS 31 far 0 57 0 - 8.8-25.8 QB ALA 108 - HG3 LYS 19 far 0 98 0 - 8.8-41.7 QB ALA 16 - HG2 LYS 26 far 0 75 0 - 9.4-22.0 QB ALA 110 - HG3 LYS 24 far 0 83 0 - 9.6-37.0 QB ALA 12 - HG2 LYS 26 far 0 92 0 - 9.8-21.9 Violated in 0 structures by 0.00 A. Peak 286 from aliabs.peaks (1.44, 1.44, 24.54 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 HG2 LYS 26 + HG2 LYS 26 OK 95 95 - 100 HG3 LYS 24 + HG3 LYS 24 OK 85 85 - 100 HG2 LYS 31 + HG2 LYS 31 OK 45 45 - 100 Peak 287 from aliabs.peaks (1.65, 1.44, 24.54 ppm; 3.36 A): 8 out of 49 assignments used, quality = 1.00: * HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG2 LYS 26 OK 94 94 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 90 90 100 100 2.2-2.9 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 90 90 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 60 60 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 58 58 100 100 2.3-3.0 2.9=100 HD3 LYS 24 - HG3 LYS 19 far 15 100 15 - 4.4-17.3 HD2 LYS 24 - HG3 LYS 19 far 10 97 10 - 4.4-17.3 HD3 LYS 31 - HG2 LYS 26 far 9 94 10 - 4.2-16.2 HD3 LYS 26 - HG2 LYS 31 far 5 54 10 - 4.2-17.6 HD3 LYS 24 - HG2 LYS 26 far 5 97 5 - 3.7-12.2 HD3 LYS 19 - HG3 LYS 24 poor 5 90 25 21 2.0-17.8 3.9/284=2, 3.9/525=2, 5.2/597=1 HB2 LEU 98 - HG3 LYS 24 far 4 89 5 - 3.2-36.3 HD2 LYS 19 - HG3 LYS 24 lone 4 90 25 16 2.7-16.7 3.9/284=2, 3.9/525=2, 5.2/597=1 HG LEU 22 - HG3 LYS 19 far 3 60 5 - 4.8-12.8 HD2 LYS 26 - HG2 LYS 31 far 3 57 5 - 3.5-18.0 HG LEU 22 - HG3 LYS 24 far 2 49 5 - 4.6-9.5 HD2 LYS 31 - HG2 LYS 26 far 0 96 0 - 5.0-16.2 HD2 LYS 36 - HG2 LYS 26 far 0 90 0 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 26 far 0 92 0 - 5.1-12.8 HD2 LYS 36 - HG3 LYS 24 far 0 83 0 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 0 55 0 - 5.3-13.7 HD2 LYS 24 - HG2 LYS 31 far 0 55 0 - 5.5-17.2 HD3 LYS 19 - HG2 LYS 31 far 0 61 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 61 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 92 0 - 5.7-24.0 HD3 LYS 26 - HG3 LYS 24 far 0 83 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 54 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 86 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 61 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 84 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 99 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 89 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 100 0 - 6.8-25.5 HG LEU 22 - HG2 LYS 26 far 0 55 0 - 7.0-15.4 HB2 LEU 98 - HG2 LYS 26 far 0 96 0 - 7.1-30.0 HB2 LEU 69 - HG2 LYS 31 far 0 61 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 86 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 96 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 87 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 89 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 98 0 - 8.1-22.8 HG LEU 22 - HG2 LYS 31 far 0 30 0 - 8.7-21.5 HD2 LYS 39 - HG3 LYS 24 far 0 49 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 96 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 288 from aliabs.peaks (1.65, 1.44, 24.54 ppm; 3.36 A): 8 out of 52 assignments used, quality = 1.00: * HD3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG2 LYS 26 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HG2 LYS 26 OK 88 88 100 100 2.2-2.9 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 59 59 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 56 56 100 100 2.3-3.0 2.9=100 HD3 LYS 24 - HG3 LYS 19 far 15 100 15 - 4.4-17.3 HD2 LYS 24 - HG3 LYS 19 far 9 95 10 - 4.4-17.3 HD3 LYS 31 - HG2 LYS 26 far 9 93 10 - 4.2-16.2 HG3 ARG 23 - HG2 LYS 26 far 9 58 15 - 4.2-13.7 HD3 LYS 26 - HG2 LYS 31 far 5 52 10 - 4.2-17.6 HD3 LYS 24 - HG2 LYS 26 far 5 96 5 - 3.7-12.2 HD3 LYS 19 - HG3 LYS 24 poor 5 90 25 21 2.0-17.8 3.9/284=2, 3.9/525=2, 5.2/597=1 HB2 LEU 98 - HG3 LYS 24 far 5 90 5 - 3.2-36.3 HD2 LYS 19 - HG3 LYS 24 lone 4 90 25 16 2.7-16.7 3.9/284=2, 3.9/525=2, 5.2/597=1 HG LEU 22 - HG3 LYS 19 far 3 65 5 - 4.8-12.8 HD2 LYS 26 - HG2 LYS 31 far 3 55 5 - 3.5-18.0 HG LEU 22 - HG3 LYS 24 far 3 53 5 - 4.6-9.5 HG3 ARG 23 - HG2 LYS 31 far 2 31 5 - 4.3-19.8 HD2 LYS 31 - HG2 LYS 26 far 0 95 0 - 5.0-16.2 HD2 LYS 36 - HG2 LYS 26 far 0 88 0 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 26 far 0 89 0 - 5.1-12.8 HD2 LYS 36 - HG3 LYS 24 far 0 80 0 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 0 53 0 - 5.3-13.7 HD2 LYS 24 - HG2 LYS 31 far 0 53 0 - 5.5-17.2 HD3 LYS 19 - HG2 LYS 31 far 0 61 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 61 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 89 0 - 5.7-24.0 HG3 ARG 23 - HG3 LYS 19 far 0 63 0 - 5.7-14.4 HD3 LYS 26 - HG3 LYS 24 far 0 80 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 52 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 84 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 60 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 81 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 88 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 99 0 - 6.8-25.5 HG LEU 22 - HG2 LYS 26 far 0 60 0 - 7.0-15.4 HB2 LEU 98 - HG2 LYS 26 far 0 97 0 - 7.1-30.0 HG3 ARG 23 - HG3 LYS 24 far 0 51 0 - 7.1-9.6 HB2 LEU 69 - HG2 LYS 31 far 0 61 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 84 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 93 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 85 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 88 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.1-22.8 HG LEU 22 - HG2 LYS 31 far 0 33 0 - 8.7-21.5 HD3 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 97 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 289 from aliabs.peaks (2.95, 1.44, 24.54 ppm; 4.19 A): 8 out of 42 assignments used, quality = 1.00: * HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HE2 LYS 26 + HG2 LYS 26 OK 97 97 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 96 96 100 100 2.0-4.0 3.6=100 HE2 LYS 24 + HG3 LYS 24 OK 90 90 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 86 86 100 100 2.2-4.2 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.1-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.3-4.1 3.7=100 HE2 LYS 24 - HG3 LYS 19 poor 20 100 20 - 3.4-18.5 HE3 LYS 24 - HG3 LYS 19 far 15 98 15 - 4.8-19.1 HE3 LYS 36 - HG2 LYS 26 far 14 96 15 - 3.8-24.9 HE2 LYS 36 - HG2 LYS 26 far 14 96 15 - 4.1-24.5 HE2 LYS 19 - HG3 LYS 24 far 14 90 15 - 3.7-17.8 HE3 LYS 19 - HG3 LYS 24 poor 11 90 25 47 4.5-18.1 5.1/525=2, 5.1/284=2...(4) HE2 LYS 26 - HG2 LYS 31 far 6 61 10 - 3.8-19.7 HE2 LYS 36 - HG2 LYS 31 far 6 60 10 - 4.9-14.4 HE3 LYS 26 - HG2 LYS 31 far 6 59 10 - 5.3-19.4 HE2 LYS 31 - HG2 LYS 26 far 5 97 5 - 5.4-15.0 HE2 LYS 36 - HG3 LYS 24 far 4 89 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 4 89 5 - 4.8-25.5 HE2 LYS 24 - HG2 LYS 31 far 3 61 5 - 3.3-18.4 HE3 LYS 36 - HG2 LYS 31 far 3 60 5 - 5.4-14.2 HE3 LYS 24 - HG2 LYS 31 far 3 57 5 - 4.0-19.0 HE2 LYS 24 - HG2 LYS 26 far 0 97 0 - 5.9-13.2 HE3 LYS 24 - HG2 LYS 26 far 0 94 0 - 6.0-13.5 HE3 LYS 31 - HG2 LYS 26 far 0 97 0 - 6.0-14.4 HE3 LYS 26 - HG3 LYS 24 far 0 88 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 90 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 63 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 67 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 42 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 61 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 61 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 100 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 75 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 90 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 90 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 99 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 67 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 100 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 290 from aliabs.peaks (2.95, 1.44, 24.54 ppm; 4.19 A): 8 out of 42 assignments used, quality = 1.00: HE2 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 * HE3 LYS 19 + HG3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HE2 LYS 26 + HG2 LYS 26 OK 97 97 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 96 96 100 100 2.0-4.0 3.6=100 HE2 LYS 24 + HG3 LYS 24 OK 90 90 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 86 86 100 100 2.2-4.2 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.1-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 61 61 100 100 2.3-4.1 3.7=100 HE2 LYS 24 - HG3 LYS 19 poor 20 100 20 - 3.4-18.5 HE3 LYS 24 - HG3 LYS 19 far 15 98 15 - 4.8-19.1 HE3 LYS 36 - HG2 LYS 26 far 14 96 15 - 3.8-24.9 HE2 LYS 36 - HG2 LYS 26 far 14 96 15 - 4.1-24.5 HE2 LYS 19 - HG3 LYS 24 far 14 90 15 - 3.7-17.8 HE3 LYS 19 - HG3 LYS 24 poor 11 90 25 47 4.5-18.1 5.1/525=2, 5.1/284=2...(4) HE2 LYS 26 - HG2 LYS 31 far 6 61 10 - 3.8-19.7 HE2 LYS 36 - HG2 LYS 31 far 6 60 10 - 4.9-14.4 HE3 LYS 26 - HG2 LYS 31 far 6 59 10 - 5.3-19.4 HE2 LYS 31 - HG2 LYS 26 far 5 97 5 - 5.4-15.0 HE2 LYS 36 - HG3 LYS 24 far 4 89 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 4 89 5 - 4.8-25.5 HE2 LYS 24 - HG2 LYS 31 far 3 61 5 - 3.3-18.4 HE3 LYS 36 - HG2 LYS 31 far 3 60 5 - 5.4-14.2 HE3 LYS 24 - HG2 LYS 31 far 3 57 5 - 4.0-19.0 HE2 LYS 24 - HG2 LYS 26 far 0 97 0 - 5.9-13.2 HE3 LYS 24 - HG2 LYS 26 far 0 94 0 - 6.0-13.5 HE3 LYS 31 - HG2 LYS 26 far 0 97 0 - 6.0-14.4 HE3 LYS 26 - HG3 LYS 24 far 0 88 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 90 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 63 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 67 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 42 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 61 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 100 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 61 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 100 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 75 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 90 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 90 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 99 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 67 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 100 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 293 from aliabs.peaks (4.27, 1.65, 28.66 ppm; 3.63 A): 11 out of 174 assignments used, quality = 1.00: * HA LYS 19 + HD2 LYS 19 OK 93 100 100 93 2.0-4.5 5.2=35, ~6151=18...(42) HA LYS 19 + HD3 LYS 19 OK 93 100 100 93 2.0-4.8 5.2=35, ~6151=18...(43) HA LYS 31 + HD3 LYS 31 OK 75 79 100 94 2.0-4.9 5.2=34, 822/2.9=18...(36) HA LYS 31 + HD2 LYS 31 OK 71 84 90 94 2.0-5.4 5.2=34, 822/2.9=18...(36) HA LYS 36 + HD2 LYS 36 OK 70 76 95 97 3.5-5.3 5.3=33, 3.0/1042=25...(31) HA LYS 26 + HD3 LYS 26 OK 65 69 100 94 2.1-5.1 5.0=39, ~6252=23...(31) HA LYS 26 + HD2 LYS 26 OK 61 77 85 94 2.1-5.4 5.0=39, ~6252=23...(31) HA LYS 36 + HD3 LYS 36 OK 53 79 70 97 3.0-5.3 5.3=33, 3.0/1042=26...(31) HA LYS 19 + HD3 LYS 24 OK 24 99 35 69 2.2-14.1 822/3.0=4, 241/3.0=3...(21) HA THR 25 + HD3 LYS 24 OK 22 82 30 88 3.3-8.1 11128/3.5=19, ~6234=16...(26) HA THR 25 + HD2 LYS 24 OK 21 69 35 87 2.7-7.9 11128/3.5=19, ~6234=16...(26) HA LEU 22 - HD3 LYS 24 poor 20 98 20 - 3.9-9.9 HA THR 18 - HD2 LYS 19 poor 19 97 20 - 2.6-7.9 HA ALA 12 - HD2 LYS 19 poor 19 93 20 - 4.1-20.6 HA THR 25 - HD2 LYS 26 poor 19 59 40 79 3.7-8.6 582/5.7=20, 11150/2.9=16...(21) HA LEU 22 - HD2 LYS 24 poor 17 86 20 - 2.8-10.2 HA ARG 23 - HD3 LYS 26 poor 17 67 25 - 3.6-13.1 HA LYS 19 - HD2 LYS 24 poor 17 88 25 75 3.3-14.3 822/3.0=4, 241/3.0=3...(23) HA LYS 26 - HD2 LYS 31 far 13 84 15 - 2.5-14.0 HA ARG 23 - HD3 LYS 24 poor 11 97 25 46 3.5-8.6 424/5.9=21, 833/3.0=4...(13) HA THR 25 - HD3 LYS 26 poor 11 53 20 - 4.5-8.0 HA LYS 31 - HD3 LYS 26 far 10 70 15 - 4.2-17.5 HA ARG 23 - HD2 LYS 26 poor 10 75 35 39 3.1-12.9 6240/6237=2, 3.8/3938=2...(5) HA ALA 15 - HD2 LYS 19 far 10 99 10 - 4.3-14.9 HA ALA 15 - HD3 LYS 19 far 10 98 10 - 4.4-14.7 HA ARG 23 - HD2 LYS 24 poor 10 85 25 46 3.9-8.4 424/5.9=21, 833/3.0=4...(13) HA THR 18 - HD3 LYS 19 far 10 97 10 - 4.3-7.5 HA THR 18 - HD3 LYS 24 far 10 95 10 - 2.0-15.2 HA ALA 12 - HD3 LYS 19 far 9 93 10 - 3.2-20.9 HA ALA 21 - HD2 LYS 24 far 9 58 15 - 3.9-12.1 HA LYS 26 - HD3 LYS 31 far 8 79 10 - 4.2-13.7 HA LYS 31 - HD2 LYS 26 far 8 77 10 - 4.7-17.2 HA ALA 28 - HD2 LYS 31 far 7 48 15 - 4.6-12.8 HA ALA 21 - HD3 LYS 24 far 7 71 10 - 3.1-12.2 HA THR 25 - HD2 LYS 31 far 7 65 10 - 4.3-15.2 HA THR 25 - HD3 LYS 31 far 6 61 10 - 4.3-14.5 HA LYS 31 - HD2 LYS 19 far 5 100 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 5 100 5 - 3.5-28.9 HA LYS 26 - HD3 LYS 24 far 5 99 5 - 4.6-10.7 HA ALA 15 - HD3 LYS 24 far 5 97 5 - 5.0-21.8 HA LYS 31 - HD2 LYS 36 far 4 85 5 - 4.5-11.5 HA THR 25 - HD2 LYS 19 far 4 85 5 - 4.9-18.6 HA ALA 16 - HD2 LYS 31 far 4 83 5 - 4.9-27.6 HA THR 18 - HD2 LYS 24 far 4 83 5 - 3.6-15.2 HA THR 18 - HD2 LYS 31 far 4 79 5 - 4.8-23.0 HA ALA 108 - HD2 LYS 26 far 4 75 5 - 4.8-33.2 HA THR 18 - HD3 LYS 31 far 4 74 5 - 4.8-24.1 HA GLN 61 - HD2 LYS 26 far 4 74 5 - 4.2-27.0 HA GLN 27 - HD3 LYS 24 far 4 71 5 - 4.5-14.4 HA LYS 36 - HD2 LYS 26 far 3 68 5 - 4.9-28.2 HA ALA 109 - HD3 LYS 26 far 3 68 5 - 4.8-33.6 HA GLN 61 - HD3 LYS 26 far 3 67 5 - 4.2-26.3 HA THR 25 - HD2 LYS 36 far 3 66 5 - 4.6-21.6 HA ALA 110 - HD3 LYS 26 far 3 61 5 - 4.9-35.3 HA GLN 27 - HD3 LYS 36 far 3 58 5 - 4.1-18.3 HA GLN 27 - HD2 LYS 31 far 3 55 5 - 4.9-12.0 HA GLN 27 - HD2 LYS 26 far 2 49 5 - 4.9-7.8 HA GLN 27 - HD3 LYS 26 far 2 44 5 - 4.8-8.0 HA ALA 28 - HD2 LYS 26 far 2 43 5 - 4.8-10.6 HA ALA 28 - HD3 LYS 31 far 0 45 0 - 5.2-12.0 HA ALA 21 - HD3 LYS 36 far 0 58 0 - 5.2-27.3 HA ALA 15 - HD3 LYS 31 far 0 76 0 - 5.3-25.6 HA THR 25 - HD3 LYS 19 far 0 84 0 - 5.3-20.4 HA ALA 21 - HD2 LYS 36 far 0 56 0 - 5.3-26.7 HA ALA 15 - HD2 LYS 24 far 0 84 0 - 5.4-22.2 HA LYS 31 - HD3 LYS 36 far 0 88 0 - 5.5-11.8 HA LEU 22 - HD2 LYS 26 far 0 75 0 - 5.5-15.0 HA GLN 27 - HD2 LYS 36 far 0 56 0 - 5.6-17.4 HA GLN 27 - HD2 LYS 24 far 0 58 0 - 5.6-13.6 HA ARG 23 - HD2 LYS 31 far 0 82 0 - 5.6-16.4 HA ALA 15 - HD2 LYS 31 far 0 81 0 - 5.7-24.6 HA GLN 27 - HD3 LYS 31 far 0 51 0 - 5.8-11.4 HA LYS 36 - HD3 LYS 26 far 0 61 0 - 5.8-27.5 HA ALA 21 - HD3 LYS 26 far 0 44 0 - 5.8-15.9 HA THR 25 - HD3 LYS 36 far 0 69 0 - 5.9-22.2 HA ALA 21 - HD3 LYS 19 far 0 73 0 - 5.9-10.7 HA ALA 28 - HD3 LYS 26 far 0 38 0 - 6.0-9.9 HA GLN 61 - HD3 LYS 31 far 0 76 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 79 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 87 0 - 6.0-10.6 HA LEU 22 - HD2 LYS 19 far 0 99 0 - 6.1-11.8 HA ALA 109 - HD2 LYS 26 far 0 75 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 99 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 68 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 77 0 - 6.2-17.8 HA ALA 28 - HD2 LYS 24 far 0 51 0 - 6.3-14.3 HA ALA 16 - HD2 LYS 19 far 0 100 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 78 0 - 6.3-29.1 HA ALA 28 - HD3 LYS 24 far 0 63 0 - 6.5-13.5 HA LEU 22 - HD3 LYS 19 far 0 99 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 68 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 98 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 68 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 70 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 81 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 80 0 - 6.7-32.3 HA ALA 16 - HD3 LYS 19 far 0 99 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 73 0 - 6.7-11.4 HA THR 18 - HD3 LYS 36 far 0 83 0 - 6.8-33.0 HA ALA 110 - HD2 LYS 19 far 0 95 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 97 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 100 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 91 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 75 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 99 0 - 7.0-14.4 HA LYS 26 - HD2 LYS 36 far 0 85 0 - 7.0-20.6 HA ALA 16 - HD3 LYS 36 far 0 87 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 87 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 87 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 64 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 49 0 - 7.2-16.4 HA ALA 28 - HD2 LYS 19 far 0 65 0 - 7.3-23.0 HA LYS 19 - HD3 LYS 31 far 0 79 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 84 0 - 7.5-26.2 HA GLN 27 - HD2 LYS 19 far 0 73 0 - 7.5-22.5 HA ALA 108 - HD3 LYS 24 far 0 98 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 85 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 82 0 - 7.6-24.0 HA ALA 28 - HD3 LYS 19 far 0 65 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 77 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 92 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 70 0 - 7.6-15.2 HA SER 124 - HD2 LYS 95 far 0 39 0 - 7.7-13.6 HA LYS 19 - HD2 LYS 26 far 0 77 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 99 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 88 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 84 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 82 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 94 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 67 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 86 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 65 0 - 8.2-20.7 HA ALA 28 - HD3 LYS 36 far 0 51 0 - 8.2-16.0 HA ALA 15 - HD2 LYS 26 far 0 74 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 69 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 73 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 98 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 84 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 99 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 84 0 - 8.4-31.3 HA THR 25 - HD2 LYS 95 far 0 56 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 98 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 82 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 83 0 - 8.5-27.7 HA THR 25 - HD3 LYS 95 far 0 50 0 - 8.5-30.6 HA ALA 109 - HD3 LYS 19 far 0 99 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 88 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 99 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 72 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 55 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 85 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 69 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 99 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 78 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 51 0 - 9.3-22.5 HA ALA 28 - HD2 LYS 36 far 0 49 0 - 9.4-15.3 HA SER 124 - HD3 LYS 95 far 0 35 0 - 9.5-12.9 HA ALA 108 - HD3 LYS 31 far 0 78 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 82 0 - 9.5-32.1 HA PHE 87 - HD2 LYS 95 far 0 74 0 - 9.6-13.0 HA SER 74 - HD2 LYS 95 far 0 59 0 - 9.6-12.5 HA ALA 12 - HD2 LYS 31 far 0 74 0 - 9.6-26.0 HA SER 74 - HD3 LYS 95 far 0 53 0 - 9.6-11.9 HA ALA 12 - HD3 LYS 31 far 0 69 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 99 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 86 0 - 9.7-44.1 HA ALA 28 - HD2 LYS 95 far 0 41 0 - 9.8-28.9 HB THR 115 - HD3 LYS 26 far 0 70 0 - 9.8-33.3 HA ALA 110 - HD3 LYS 95 far 0 58 0 - 9.9-28.3 HA ALA 16 - HD2 LYS 26 far 0 76 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 95 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 86 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 82 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 294 from aliabs.peaks (1.74, 1.65, 28.66 ppm; 4.74 A): 12 out of 67 assignments used, quality = 1.00: * HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.5-4.2 3.9=100 HB2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 88 88 100 100 1.9-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.9-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 79 79 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 77 77 100 100 2.1-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 70 70 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 26 OK 38 70 55 98 2.4-15.6 639/2.9=8, 628/2.9=8...(164) HB2 LYS 31 + HD2 LYS 26 OK 34 77 45 99 3.3-16.0 639/2.9=8, 628/2.9=8...(183) HB2 LYS 26 + HD2 LYS 31 OK 33 84 40 99 4.5-13.8 10770/10771=18...(196) HB2 LYS 19 + HD3 LYS 24 OK 29 99 30 96 4.7-15.4 823/3.0=5, 1.8/2632=4...(146) HB2 LYS 26 - HD3 LYS 31 poor 20 79 25 - 4.1-13.7 HB2 ARG 23 - HD3 LYS 26 poor 20 66 30 - 3.3-13.9 HB2 ARG 23 - HD2 LYS 26 poor 18 73 25 - 2.0-13.7 HB2 LYS 24 - HD2 LYS 19 poor 18 100 35 51 4.1-16.1 790/5.2=2, 255=2...(7) HB2 LYS 24 - HD3 LYS 19 poor 14 100 25 55 2.7-16.8 790/5.2=2, 514/3.0=2...(8) HB2 LYS 19 - HD2 LYS 24 far 13 88 15 - 3.7-16.1 HB2 ARG 23 - HD2 LYS 24 far 13 84 15 - 5.8-9.7 HB2 ARG 23 - HD3 LYS 24 far 10 96 10 - 4.5-9.5 HB2 LYS 26 - HD2 LYS 36 far 8 85 10 - 5.6-20.8 HB2 LYS 31 - HD2 LYS 19 far 5 100 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 5 100 5 - 5.5-29.5 HB2 LYS 26 - HD3 LYS 24 far 5 99 5 - 2.0-12.6 HB2 LYS 31 - HD3 LYS 24 far 5 99 5 - 6.2-19.4 HB2 LYS 24 - HD3 LYS 36 far 4 88 5 - 4.2-25.9 HB2 LYS 26 - HD2 LYS 24 far 4 88 5 - 3.6-12.6 HB2 LYS 26 - HD3 LYS 36 far 4 88 5 - 6.1-21.8 HB2 LYS 24 - HD2 LYS 36 far 4 85 5 - 3.0-25.5 HB2 LYS 31 - HD2 LYS 36 far 4 85 5 - 5.5-12.6 HB2 LYS 24 - HD2 LYS 31 far 4 84 5 - 4.7-17.2 HB2 LYS 19 - HD2 LYS 31 far 4 84 5 - 5.1-23.0 HB2 ARG 23 - HD3 LYS 36 far 4 84 5 - 5.5-23.2 HB2 ARG 23 - HD2 LYS 36 far 4 81 5 - 6.0-22.4 HB2 ARG 23 - HD2 LYS 31 far 4 80 5 - 5.5-17.1 HB2 LYS 19 - HD3 LYS 31 far 4 79 5 - 4.6-23.5 HB2 LYS 24 - HD3 LYS 31 far 4 79 5 - 5.9-18.6 HB2 LYS 19 - HD2 LYS 26 far 4 77 5 - 6.2-21.7 HB2 LYS 24 - HD2 LYS 26 far 4 77 5 - 6.1-12.1 HB2 ARG 23 - HD3 LYS 31 far 4 75 5 - 6.2-18.0 HB2 LYS 19 - HD3 LYS 26 far 3 70 5 - 5.6-21.9 HB2 ARG 23 - HD2 LYS 19 far 0 98 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 88 0 - 6.5-12.1 HG13 ILE 129 - HD2 LYS 95 far 0 74 0 - 6.5-11.1 HB2 LYS 26 - HD3 LYS 19 far 0 100 0 - 6.6-24.6 HG13 ILE 129 - HD3 LYS 95 far 0 66 0 - 6.6-9.8 HB2 LYS 31 - HD2 LYS 24 far 0 88 0 - 6.7-18.3 HG3 ARG 90 - HD3 LYS 95 far 0 65 0 - 7.0-10.9 HB2 LYS 26 - HD2 LYS 19 far 0 100 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 70 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 69 0 - 7.5-15.4 HG3 ARG 90 - HD2 LYS 95 far 0 72 0 - 7.8-12.0 HB2 ARG 23 - HD3 LYS 19 far 0 98 0 - 8.0-15.0 HB2 LYS 39 - HD3 LYS 24 far 0 82 0 - 8.5-31.4 HB2 LYS 39 - HD2 LYS 36 far 0 66 0 - 8.9-14.2 HB3 LEU 70 - HD2 LYS 36 far 0 45 0 - 9.0-14.8 HB3 LEU 70 - HD3 LYS 36 far 0 47 0 - 9.0-15.3 HB2 LYS 24 - HD3 LYS 95 far 0 66 0 - 9.1-34.0 HB2 LYS 19 - HD3 LYS 36 far 0 88 0 - 9.2-30.9 HB3 LEU 70 - HD2 LYS 31 far 0 44 0 - 9.3-20.2 HB3 LEU 70 - HD3 LYS 95 far 0 33 0 - 9.3-14.6 HB3 LEU 70 - HD3 LYS 31 far 0 41 0 - 9.6-19.5 HG LEU 100 - HD2 LYS 31 far 0 42 0 - 9.6-21.5 HB2 LYS 24 - HD2 LYS 95 far 0 74 0 - 9.7-34.8 HB2 LYS 39 - HD2 LYS 19 far 0 85 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 39 0 - 9.9-21.8 HB2 LYS 39 - HD2 LYS 24 far 0 69 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 295 from aliabs.peaks (1.81, 1.65, 28.66 ppm; 3.44 A): 14 out of 94 assignments used, quality = 1.00: * HB3 LYS 19 + HD2 LYS 19 OK 98 100 100 98 2.2-3.7 3.9=67, 10697/10696=11...(71) HB3 LYS 19 + HD3 LYS 19 OK 97 100 100 98 2.1-3.7 3.9=67, 10697/10696=10...(71) HB3 LYS 24 + HD3 LYS 24 OK 97 97 100 100 2.5-4.2 3.5=93, 482/546=28...(39) HB3 LYS 24 + HD2 LYS 24 OK 85 85 100 100 2.2-4.2 3.5=93, 482/546=26...(39) HB2 LYS 36 + HD3 LYS 36 OK 82 83 100 100 2.1-4.0 3.5=94, 1.8/1031=32...(80) HB3 LYS 31 + HD2 LYS 31 OK 82 83 100 99 2.5-4.2 3.5=96, 6332/6.2=16...(62) HB2 LYS 36 + HD2 LYS 36 OK 80 80 100 100 2.0-4.2 3.5=94, 1.8/1031=31...(79) HB3 LYS 31 + HD3 LYS 31 OK 78 78 100 99 2.1-3.8 3.5=96, 6332/6.2=16...(62) HB3 LYS 26 + HD2 LYS 26 OK 74 74 100 100 2.2-4.0 3.5=94, 6251/5.7=21...(68) HB3 LYS 26 + HD3 LYS 26 OK 66 67 100 100 2.0-4.1 3.5=94, 6251/5.7=21...(68) HB ILE 32 + HD2 LYS 36 OK 40 84 50 96 2.1-6.8 2.1/10837=20, ~10901=19...(43) HB ILE 32 + HD3 LYS 36 OK 33 87 40 96 2.3-8.3 2.1/10837=20, ~10901=19...(44) HB3 LYS 19 + HD3 LYS 24 OK 23 99 35 67 3.5-15.3 824/3.0=2, 2632=2...(33) HB3 LYS 31 + HD3 LYS 26 OK 23 69 40 84 3.4-17.4 629/2.9=5, 273/2.9=4...(76) HB3 LYS 24 - HD3 LYS 19 poor 20 99 20 - 2.0-16.3 HB ILE 32 - HD3 LYS 31 poor 20 79 25 - 4.1-9.2 HB3 ARG 23 - HD3 LYS 26 poor 19 64 30 - 2.9-14.6 HB3 LYS 31 - HD2 LYS 26 poor 19 76 25 - 2.9-17.3 HB3 LYS 19 - HD2 LYS 24 poor 16 88 25 75 2.0-16.0 824/3.0=2, 2631=2...(34) HB3 LEU 98 - HD3 LYS 95 poor 15 41 35 - 3.6-8.7 HB ILE 32 - HD3 LYS 26 poor 14 69 20 - 4.0-17.6 HB3 LYS 26 - HD2 LYS 31 far 12 81 15 - 4.2-14.4 HB3 LEU 98 - HD2 LYS 95 poor 9 47 20 - 4.7-9.5 HB3 ARG 23 - HD2 LYS 26 poor 9 71 30 41 2.9-14.2 ~11618=2, 442/5.7=2...(8) HB ILE 32 - HD2 LYS 26 far 8 77 10 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 far 8 76 10 - 4.5-14.4 HB2 LYS 36 - HD3 LYS 26 far 6 65 10 - 4.4-27.1 HB3 LYS 31 - HD2 LYS 19 far 5 100 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 5 99 5 - 4.1-28.8 HB3 LYS 24 - HD2 LYS 19 far 5 99 5 - 3.7-15.7 HB3 LYS 26 - HD3 LYS 24 far 5 97 5 - 3.7-12.3 HB3 LYS 24 - HD2 LYS 36 far 4 82 5 - 4.2-24.7 HB3 ARG 23 - HD3 LYS 36 far 4 81 5 - 4.9-23.1 HB3 LEU 98 - HD3 LYS 24 far 4 71 5 - 4.2-35.7 HB3 LEU 98 - HD2 LYS 24 far 3 58 5 - 4.6-36.8 HB2 LYS 36 - HD2 LYS 31 far 0 79 0 - 5.0-15.5 HB2 LYS 36 - HD2 LYS 26 far 0 72 0 - 5.1-27.9 HB3 LYS 26 - HD2 LYS 24 far 0 84 0 - 5.1-12.6 HB3 ARG 23 - HD3 LYS 24 far 0 94 0 - 5.2-9.3 HB3 LYS 24 - HD2 LYS 31 far 0 82 0 - 5.4-17.9 HB2 LEU 48 - HD3 LYS 36 far 0 49 0 - 5.4-16.0 HB3 LYS 24 - HD3 LYS 36 far 0 85 0 - 5.5-25.2 HB ILE 32 - HD2 LYS 31 far 0 83 0 - 5.5-9.5 HB2 LYS 36 - HD2 LYS 24 far 0 83 0 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 0 79 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 74 0 - 5.9-14.3 HB VAL 93 - HD3 LYS 95 far 0 47 0 - 5.9-8.8 HB3 ARG 23 - HD2 LYS 24 far 0 81 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 79 0 - 5.9-24.7 HB2 LEU 48 - HD2 LYS 31 far 0 46 0 - 6.0-24.3 HB3 LYS 26 - HD3 LYS 36 far 0 84 0 - 6.0-22.1 HB2 LEU 48 - HD2 LYS 36 far 0 47 0 - 6.0-17.2 HB3 LYS 19 - HD2 LYS 31 far 0 84 0 - 6.0-24.2 HB VAL 93 - HD2 LYS 95 far 0 53 0 - 6.0-10.4 HB2 LEU 48 - HD3 LYS 24 far 0 60 0 - 6.2-28.4 HB3 ARG 23 - HD2 LYS 31 far 0 78 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 73 0 - 6.2-17.9 HB2 LEU 48 - HD3 LYS 26 far 0 37 0 - 6.3-29.6 HB3 LYS 24 - HD3 LYS 31 far 0 77 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 75 0 - 6.4-12.7 HB2 LEU 48 - HD2 LYS 24 far 0 49 0 - 6.4-29.8 HB3 LYS 19 - HD2 LYS 26 far 0 77 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 82 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 70 0 - 6.5-21.5 HB2 LEU 48 - HD3 LYS 31 far 0 43 0 - 6.7-23.0 HB3 LYS 31 - HD2 LYS 36 far 0 84 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 97 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 98 0 - 6.8-18.8 HB2 LEU 48 - HD2 LYS 26 far 0 41 0 - 6.9-30.1 HB2 LYS 36 - HD3 LYS 24 far 0 95 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 98 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 98 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 87 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 99 0 - 7.3-22.9 HB2 LEU 48 - HD2 LYS 19 far 0 63 0 - 7.3-36.4 HB3 LEU 122 - HD3 LYS 24 far 0 86 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 87 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 95 far 0 64 0 - 7.6-33.5 HB3 LYS 24 - HD3 LYS 26 far 0 67 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 95 far 0 59 0 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 95 far 0 53 0 - 7.8-11.4 HB ILE 32 - HD3 LYS 19 far 0 100 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 96 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 100 0 - 8.1-28.1 HB3 LYS 24 - HD2 LYS 95 far 0 72 0 - 8.2-34.6 HB3 LEU 122 - HD2 LYS 24 far 0 72 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 75 0 - 8.3-39.4 HB2 LEU 48 - HD3 LYS 19 far 0 62 0 - 8.4-37.8 HB ILE 32 - HD2 LYS 24 far 0 87 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 60 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 60 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 76 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 56 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 58 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 296 from aliabs.peaks (1.37, 1.65, 28.66 ppm; 3.23 A): 14 out of 150 assignments used, quality = 1.00: * HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 83 83 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 80 80 100 100 2.3-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 72 72 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 71 71 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 68 68 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 64 64 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 63 63 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 58 58 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 56 56 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 51 51 100 100 2.2-3.0 2.9=100 QB ALA 12 - HD2 LYS 19 poor 19 97 20 - 2.2-15.1 QB ALA 28 - HD2 LYS 31 poor 18 74 25 - 2.1-10.6 HG2 LYS 24 - HD2 LYS 19 far 15 99 15 - 3.2-16.1 HG2 LYS 24 - HD3 LYS 19 far 15 99 15 - 2.1-17.8 HG2 LYS 19 - HD3 LYS 24 far 15 99 15 - 2.7-16.9 QB ALA 12 - HD3 LYS 19 far 14 96 15 - 2.1-15.8 QB ALA 28 - HD3 LYS 31 poor 14 69 20 - 2.9-9.7 HG3 LYS 26 - HD3 LYS 31 far 11 73 15 - 3.4-15.4 QB ALA 15 - HD2 LYS 19 far 10 97 10 - 3.7-12.8 HG2 LYS 19 - HD2 LYS 24 far 9 88 10 - 3.0-17.8 HB2 LEU 42 - HD2 LYS 36 far 8 85 10 - 4.0-11.4 QB ALA 28 - HD2 LYS 24 far 8 77 10 - 4.4-13.3 QB ALA 15 - HD3 LYS 31 far 7 73 10 - 3.8-22.6 QB ALA 15 - HD3 LYS 19 far 5 96 5 - 3.8-12.9 QB ALA 108 - HD3 LYS 24 far 5 96 5 - 4.5-33.1 QB ALA 15 - HD3 LYS 24 far 5 94 5 - 3.5-17.1 HG3 LYS 26 - HD3 LYS 24 far 5 94 5 - 3.7-11.0 QB ALA 12 - HD3 LYS 24 far 5 94 5 - 4.3-18.1 QB ALA 28 - HD3 LYS 19 far 5 93 5 - 4.6-21.9 HG3 LYS 31 - HD2 LYS 19 far 5 92 5 - 4.6-25.3 HG3 LYS 31 - HD3 LYS 19 far 5 91 5 - 4.1-26.6 HG3 LYS 95 - HD3 LYS 24 far 4 89 5 - 3.7-36.4 HB2 LEU 42 - HD3 LYS 36 far 4 87 5 - 3.8-11.6 HG2 LYS 95 - HD3 LYS 24 far 4 84 5 - 4.1-36.2 QB ALA 15 - HD2 LYS 24 far 4 81 5 - 4.1-17.3 QB ALA 29 - HD2 LYS 31 far 4 81 5 - 2.5-9.8 HG3 LYS 26 - HD2 LYS 31 far 4 78 5 - 3.6-15.7 QB ALA 15 - HD2 LYS 31 far 4 78 5 - 3.6-21.3 QB ALA 29 - HD3 LYS 31 far 4 76 5 - 3.0-9.8 HG3 LYS 95 - HD2 LYS 24 far 4 76 5 - 3.4-37.4 HG3 LYS 31 - HD3 LYS 36 far 4 76 5 - 4.6-13.4 QB ALA 29 - HD2 LYS 26 far 4 74 5 - 4.7-11.1 QB ALA 21 - HD3 LYS 19 far 4 73 5 - 4.5-8.8 HG2 LYS 95 - HD2 LYS 24 far 4 71 5 - 4.4-37.2 QB ALA 21 - HD3 LYS 24 far 4 71 5 - 4.6-10.6 QB ALA 110 - HD2 LYS 26 far 3 70 5 - 3.6-30.2 QB ALA 29 - HD3 LYS 26 far 3 67 5 - 4.5-11.4 QB ALA 110 - HD3 LYS 26 far 3 63 5 - 2.4-29.3 QB ALA 109 - HD2 LYS 26 far 3 62 5 - 4.4-27.7 HG3 LYS 31 - HD3 LYS 26 far 3 59 5 - 3.0-16.8 QB ALA 21 - HD2 LYS 24 far 3 58 5 - 3.9-10.7 HG3 LYS 31 - HD2 LYS 26 far 0 66 0 - 4.8-17.0 HG3 LYS 31 - HD2 LYS 36 far 0 73 0 - 4.8-13.4 QB ALA 28 - HD3 LYS 24 far 0 91 0 - 4.8-12.7 QB ALA 16 - HD2 LYS 19 far 0 81 0 - 4.8-11.3 QB ALA 108 - HD3 LYS 26 far 0 66 0 - 4.8-26.0 HG3 LYS 26 - HD2 LYS 36 far 0 79 0 - 4.8-22.9 QB ALA 21 - HD2 LYS 19 far 0 73 0 - 4.8-9.4 QB ALA 16 - HD2 LYS 24 far 0 65 0 - 4.9-17.1 HG LEU 96 - HD2 LYS 95 far 0 41 0 - 5.0-10.2 QB ALA 109 - HD3 LYS 26 far 0 56 0 - 5.1-28.1 HG2 LYS 36 - HD3 LYS 26 far 0 65 0 - 5.1-24.7 QB ALA 108 - HD2 LYS 24 far 0 84 0 - 5.1-33.9 HG2 LYS 24 - HD3 LYS 26 far 0 68 0 - 5.2-11.4 QB ALA 29 - HD3 LYS 36 far 0 84 0 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 0 82 0 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 0 83 0 - 5.3-25.5 QB ALA 16 - HD2 LYS 31 far 0 61 0 - 5.3-24.0 QB ALA 29 - HD2 LYS 24 far 0 84 0 - 5.3-13.3 HG3 LYS 26 - HD2 LYS 24 far 0 81 0 - 5.3-11.0 QB ALA 29 - HD3 LYS 24 far 0 97 0 - 5.3-12.6 QB ALA 16 - HD3 LYS 19 far 0 80 0 - 5.4-11.1 QB ALA 21 - HD2 LYS 36 far 0 56 0 - 5.4-24.2 QB ALA 28 - HD2 LYS 26 far 0 67 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 81 0 - 5.6-18.4 HB2 LEU 96 - HD2 LYS 95 far 0 69 0 - 5.6-9.4 QB ALA 21 - HD3 LYS 36 far 0 58 0 - 5.6-24.7 QB ALA 21 - HD2 LYS 31 far 0 55 0 - 5.6-19.4 QB ALA 16 - HD3 LYS 24 far 0 78 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 75 0 - 5.8-11.1 HG LEU 96 - HD3 LYS 95 far 0 36 0 - 5.8-9.4 QB ALA 21 - HD3 LYS 31 far 0 51 0 - 5.8-20.4 HG2 LYS 36 - HD2 LYS 26 far 0 72 0 - 5.9-25.5 HB2 LEU 96 - HD3 LYS 95 far 0 62 0 - 5.9-9.0 HG3 LYS 31 - HD3 LYS 24 far 0 89 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 93 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 81 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 76 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 73 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 60 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 79 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 57 0 - 6.3-25.2 QB ALA 21 - HD3 LYS 26 far 0 44 0 - 6.3-14.8 QB ALA 12 - HD3 LYS 31 far 0 73 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 86 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 88 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 78 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 74 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 65 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 83 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 96 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 78 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 82 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 98 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 89 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 62 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 71 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 75 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 79 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 64 0 - 7.4-19.3 QB ALA 21 - HD2 LYS 26 far 0 49 0 - 7.4-14.7 QB ALA 16 - HD2 LYS 36 far 0 62 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 99 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 80 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 59 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 95 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 70 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 70 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 86 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 95 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 79 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 75 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 65 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 77 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 72 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 81 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 77 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 67 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 55 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 49 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 72 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 98 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 98 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 96 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 64 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 97 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 76 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 97 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 79 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 88 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 69 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 66 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 74 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 95 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 297 from aliabs.peaks (1.44, 1.65, 28.66 ppm; 2.84 A): 10 out of 72 assignments used, quality = 1.00: * HG3 LYS 19 + HD2 LYS 19 OK 93 100 100 93 2.2-3.0 3.0=88, 6152/6.2=7...(23) HG3 LYS 19 + HD3 LYS 19 OK 93 100 100 93 2.2-3.0 3.0=88, 6152/6.2=7...(23) HG3 LYS 24 + HD3 LYS 24 OK 88 95 100 93 2.2-3.0 3.0=87, 484/546=15...(15) HG3 LYS 24 + HD2 LYS 24 OK 76 83 100 92 2.2-3.0 3.0=87, 484/546=14...(15) HG2 LYS 26 + HD2 LYS 26 OK 72 75 100 97 2.2-3.0 2.9=95, 6252/5.7=12...(14) HG2 LYS 26 + HD3 LYS 26 OK 65 67 100 97 2.2-2.9 2.9=95, 6252/5.7=12...(14) HG3 LYS 36 + HD3 LYS 36 OK 61 65 100 94 2.2-3.0 3.0=86, 3.0/1042=16...(23) HG2 LYS 31 + HD2 LYS 31 OK 60 65 100 92 2.2-3.0 2.9=90, 5.0/6336=5...(12) HG3 LYS 36 + HD2 LYS 36 OK 59 62 100 94 2.5-3.0 3.0=86, 3.0/1031=15...(23) HG2 LYS 31 + HD3 LYS 31 OK 56 61 100 92 2.3-3.0 2.9=90, 5.0/6336=5...(12) HG3 LYS 24 - HD3 LYS 19 poor 19 97 20 - 2.0-17.8 HG13 ILE 32 - HD2 LYS 26 poor 18 73 25 - 2.5-16.4 HG13 ILE 32 - HD3 LYS 26 poor 13 66 20 - 2.0-15.6 HG13 ILE 32 - HD2 LYS 31 far 12 80 15 - 3.3-9.3 QB ALA 92 - HD2 LYS 95 far 11 71 15 - 3.1-7.6 HG3 LYS 24 - HD2 LYS 19 far 10 97 10 - 2.7-16.7 QB ALA 92 - HD3 LYS 95 far 9 63 15 - 3.6-6.8 HG13 ILE 32 - HD3 LYS 31 poor 8 75 30 37 2.0-10.3 10757/5.2=5, 6333/6.2=4...(17) HG2 LYS 26 - HD3 LYS 24 far 5 97 5 - 3.7-12.2 HG13 ILE 32 - HD3 LYS 36 far 4 84 5 - 3.6-8.5 HG13 ILE 32 - HD2 LYS 36 far 4 81 5 - 4.2-7.8 HG2 LYS 26 - HD3 LYS 31 far 4 77 5 - 4.2-16.2 QB ALA 34 - HD3 LYS 36 far 3 60 5 - 4.1-8.0 HG2 LYS 31 - HD2 LYS 26 far 3 59 5 - 3.5-18.0 HG2 LYS 31 - HD3 LYS 26 far 3 53 5 - 4.2-17.6 HG3 LYS 36 - HD3 LYS 26 far 2 49 5 - 3.6-25.1 HG3 LYS 19 - HD2 LYS 24 far 0 88 0 - 4.4-17.3 HG3 LYS 19 - HD3 LYS 24 far 0 99 0 - 4.4-17.3 QB ALA 34 - HD2 LYS 36 far 0 58 0 - 4.7-8.0 QB ALA 34 - HD2 LYS 26 far 0 51 0 - 4.9-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 82 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 82 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 85 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 55 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 80 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 69 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 69 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 65 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 57 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 84 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 85 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 85 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 61 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 65 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 66 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 72 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 82 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 83 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 98 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 46 0 - 6.2-20.6 HG3 LYS 19 - HD3 LYS 31 far 0 79 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 78 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 79 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 98 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 84 0 - 6.8-25.5 QB ALA 34 - HD2 LYS 24 far 0 60 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 73 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 96 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 84 0 - 7.4-16.8 HG3 LYS 24 - HD3 LYS 95 far 0 62 0 - 7.8-36.0 HG3 LYS 19 - HD3 LYS 26 far 0 70 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 74 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 69 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 77 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 53 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 57 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 99 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 99 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 97 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 84 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 81 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 80 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 298 from aliabs.peaks (1.65, 1.65, 28.66 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 31 + HD2 LYS 31 OK 83 83 - 100 HD3 LYS 36 + HD3 LYS 36 OK 81 81 - 100 HD2 LYS 24 + HD2 LYS 24 OK 81 81 - 100 HD2 LYS 36 + HD2 LYS 36 OK 77 77 - 100 HD3 LYS 31 + HD3 LYS 31 OK 76 76 - 100 HD2 LYS 95 + HD2 LYS 95 OK 73 73 - 100 HD2 LYS 26 + HD2 LYS 26 OK 73 73 - 100 HD3 LYS 26 + HD3 LYS 26 OK 63 63 - 100 HD3 LYS 95 + HD3 LYS 95 OK 62 62 - 100 Peak 299 from aliabs.peaks (1.65, 1.65, 28.66 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 98 98 - 100 HD2 LYS 31 + HD2 LYS 31 OK 82 82 - 100 HD3 LYS 36 + HD3 LYS 36 OK 79 79 - 100 HD2 LYS 24 + HD2 LYS 24 OK 79 79 - 100 HD2 LYS 36 + HD2 LYS 36 OK 75 75 - 100 HD3 LYS 31 + HD3 LYS 31 OK 74 74 - 100 HD2 LYS 95 + HD2 LYS 95 OK 72 72 - 100 HD2 LYS 26 + HD2 LYS 26 OK 71 71 - 100 HD3 LYS 95 + HD3 LYS 95 OK 61 61 - 100 HD3 LYS 26 + HD3 LYS 26 OK 60 60 - 100 Reference assignment not found: HD3 LYS 19 - HD2 LYS 19 Peak 300 from aliabs.peaks (2.95, 1.65, 28.66 ppm; 3.39 A): 20 out of 114 assignments used, quality = 1.00: * HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 79 79 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 79 79 100 100 2.4-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 77 77 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 75 75 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 69 69 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 68 68 100 100 2.2-3.0 3.0=100 HE2 LYS 24 - HD3 LYS 19 poor 20 100 20 - 2.7-18.2 HE3 LYS 26 - HD2 LYS 36 poor 17 83 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 far 15 100 15 - 2.6-17.0 HE3 LYS 36 - HD3 LYS 26 poor 14 69 20 - 3.8-24.9 HE3 LYS 36 - HD2 LYS 26 far 11 77 15 - 3.3-25.8 HE2 LYS 36 - HD3 LYS 26 far 10 69 15 - 2.9-24.6 HE2 LYS 19 - HD3 LYS 24 far 10 99 10 - 4.2-18.5 HE3 LYS 24 - HD2 LYS 19 far 10 98 10 - 2.9-18.4 HE3 LYS 24 - HD3 LYS 19 far 10 98 10 - 2.2-19.0 HB2 CYS 45 - HD3 LYS 36 far 10 65 15 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 far 9 62 15 - 4.5-10.8 HE3 LYS 19 - HD2 LYS 24 far 9 88 10 - 3.9-18.3 HE2 LYS 31 - HD3 LYS 36 far 9 87 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 9 86 10 - 3.6-25.8 HE2 LYS 31 - HD2 LYS 36 far 8 85 10 - 3.1-14.2 HE2 LYS 36 - HD2 LYS 26 far 8 77 10 - 1.9-25.5 HE3 LYS 19 - HD3 LYS 24 far 5 99 5 - 3.7-17.8 HE2 LYS 26 - HD3 LYS 36 far 4 87 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 4 87 5 - 4.8-13.8 HE2 LYS 26 - HD2 LYS 36 far 4 85 5 - 3.3-25.2 HE3 LYS 31 - HD2 LYS 36 far 4 85 5 - 3.6-14.4 HE2 LYS 36 - HD2 LYS 31 far 4 83 5 - 4.6-13.1 HE2 LYS 26 - HD3 LYS 31 far 4 79 5 - 4.6-18.1 HE2 LYS 24 - HD3 LYS 31 far 4 79 5 - 4.7-18.8 HE2 LYS 36 - HD3 LYS 31 far 4 79 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 4 78 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 4 77 5 - 3.3-15.6 HE3 LYS 31 - HD2 LYS 26 far 4 77 5 - 4.9-15.3 HE2 LYS 31 - HD3 LYS 26 far 3 69 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 3 69 5 - 4.6-14.9 HE3 LYS 24 - HD3 LYS 31 far 0 75 0 - 5.0-18.2 HE3 LYS 26 - HD2 LYS 31 far 0 82 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 87 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 88 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 79 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 78 0 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 0 62 0 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 83 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 98 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 98 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 84 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 84 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 85 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 47 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 73 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 70 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 80 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 66 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 53 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 65 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 49 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 57 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 87 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 77 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 87 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 87 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 69 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 87 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 98 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 61 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 81 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 78 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 74 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 73 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 55 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 79 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 100 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 66 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 100 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 79 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 60 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 84 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 84 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 63 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 87 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 51 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 65 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 99 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 84 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 100 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 100 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 49 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 70 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 63 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 301 from aliabs.peaks (2.95, 1.65, 28.66 ppm; 3.39 A): 20 out of 114 assignments used, quality = 1.00: HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 79 79 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 79 79 100 100 2.4-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 77 77 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 75 75 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 69 69 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 68 68 100 100 2.2-3.0 3.0=100 HE2 LYS 24 - HD3 LYS 19 poor 20 100 20 - 2.7-18.2 HE3 LYS 26 - HD2 LYS 36 poor 17 83 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 far 15 100 15 - 2.6-17.0 HE3 LYS 36 - HD3 LYS 26 poor 14 69 20 - 3.8-24.9 HE3 LYS 36 - HD2 LYS 26 far 11 77 15 - 3.3-25.8 HE2 LYS 36 - HD3 LYS 26 far 10 69 15 - 2.9-24.6 HE2 LYS 19 - HD3 LYS 24 far 10 99 10 - 4.2-18.5 HE3 LYS 24 - HD2 LYS 19 far 10 98 10 - 2.9-18.4 HE3 LYS 24 - HD3 LYS 19 far 10 98 10 - 2.2-19.0 HB2 CYS 45 - HD3 LYS 36 far 10 65 15 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 far 9 62 15 - 4.5-10.8 HE3 LYS 19 - HD2 LYS 24 far 9 88 10 - 3.9-18.3 HE2 LYS 31 - HD3 LYS 36 far 9 87 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 9 86 10 - 3.6-25.8 HE2 LYS 31 - HD2 LYS 36 far 8 85 10 - 3.1-14.2 HE2 LYS 36 - HD2 LYS 26 far 8 77 10 - 1.9-25.5 HE3 LYS 19 - HD3 LYS 24 far 5 99 5 - 3.7-17.8 HE2 LYS 26 - HD3 LYS 36 far 4 87 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 4 87 5 - 4.8-13.8 HE2 LYS 26 - HD2 LYS 36 far 4 85 5 - 3.3-25.2 HE3 LYS 31 - HD2 LYS 36 far 4 85 5 - 3.6-14.4 HE2 LYS 36 - HD2 LYS 31 far 4 83 5 - 4.6-13.1 HE2 LYS 26 - HD3 LYS 31 far 4 79 5 - 4.6-18.1 HE2 LYS 24 - HD3 LYS 31 far 4 79 5 - 4.7-18.8 HE2 LYS 36 - HD3 LYS 31 far 4 79 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 4 78 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 4 77 5 - 3.3-15.6 HE3 LYS 31 - HD2 LYS 26 far 4 77 5 - 4.9-15.3 HE2 LYS 31 - HD3 LYS 26 far 3 69 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 3 69 5 - 4.6-14.9 HE3 LYS 24 - HD3 LYS 31 far 0 75 0 - 5.0-18.2 HE3 LYS 26 - HD2 LYS 31 far 0 82 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 87 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 88 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 79 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 78 0 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 0 62 0 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 83 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 98 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 98 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 84 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 84 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 85 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 47 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 73 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 70 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 80 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 66 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 53 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 65 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 49 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 57 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 87 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 77 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 87 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 86 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 87 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 69 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 87 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 98 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 61 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 81 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 78 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 74 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 73 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 55 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 79 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 100 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 66 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 100 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 79 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 60 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 84 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 84 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 63 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 87 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 51 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 65 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 99 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 84 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 100 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 100 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 49 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 70 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 63 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 304 from aliabs.peaks (4.27, 1.65, 28.66 ppm; 3.61 A): 10 out of 174 assignments used, quality = 1.00: * HA LYS 19 + HD3 LYS 19 OK 93 100 100 93 2.0-4.8 5.2=34, ~6151=18...(43) HA LYS 19 + HD2 LYS 19 OK 92 100 100 93 2.0-4.5 5.2=34, ~6151=18...(42) HA LYS 31 + HD3 LYS 31 OK 70 75 100 94 2.0-4.9 5.2=33, 822/2.9=18...(36) HA LYS 31 + HD2 LYS 31 OK 68 81 90 94 2.0-5.4 5.2=33, 822/2.9=18...(36) HA LYS 36 + HD2 LYS 36 OK 64 70 95 96 3.5-5.3 5.3=32, 3.0/1031=23...(30) HA LYS 26 + HD3 LYS 26 OK 59 64 100 93 2.1-5.1 5.0=38, ~6252=22...(31) HA LYS 26 + HD2 LYS 26 OK 57 72 85 93 2.1-5.4 5.0=38, ~6252=22...(31) HA LYS 36 + HD3 LYS 36 OK 46 73 65 97 3.0-5.3 5.3=32, 3.0/1042=24...(31) HA LYS 19 + HD3 LYS 24 OK 23 98 35 67 2.2-14.1 822/3.0=4, 241/3.0=3...(19) HA THR 25 + HD3 LYS 24 OK 21 80 30 87 3.3-8.1 11128/3.5=18, ~6234=16...(26) HA ARG 23 - HD2 LYS 24 poor 20 79 25 - 3.9-8.4 HA THR 18 - HD2 LYS 19 poor 19 97 20 - 2.6-7.9 HA LEU 22 - HD3 LYS 24 poor 19 96 20 - 3.9-9.9 HA THR 25 - HD2 LYS 24 poor 19 63 35 87 2.7-7.9 11128/3.5=18, ~6234=16...(26) HA ALA 12 - HD2 LYS 19 poor 19 93 20 - 4.1-20.6 HA THR 25 - HD2 LYS 26 poor 17 55 40 78 3.7-8.6 582/5.7=19, 11150/2.9=15...(21) HA LEU 22 - HD2 LYS 24 poor 16 80 20 - 2.8-10.2 HA ARG 23 - HD3 LYS 26 poor 15 62 25 - 3.6-13.1 HA LYS 19 - HD2 LYS 24 poor 15 82 25 74 3.3-14.3 822/3.0=4, 241/3.0=3...(21) HA LYS 26 - HD2 LYS 31 far 12 81 15 - 2.5-14.0 HA ARG 23 - HD3 LYS 24 poor 11 96 25 46 3.5-8.6 424/5.9=21, 833/3.0=4...(13) HA ALA 15 - HD3 LYS 19 far 10 99 10 - 4.4-14.7 HA ALA 15 - HD2 LYS 19 far 10 98 10 - 4.3-14.9 HA THR 18 - HD3 LYS 19 far 10 97 10 - 4.3-7.5 HA LYS 31 - HD3 LYS 26 far 10 64 15 - 4.2-17.5 HA THR 25 - HD3 LYS 26 poor 10 48 20 - 4.5-8.0 HA ARG 23 - HD2 LYS 26 poor 10 70 35 39 3.1-12.9 6240/6237=2, 3.8/3938=2...(5) HA THR 18 - HD3 LYS 24 far 9 94 10 - 2.0-15.2 HA ALA 12 - HD3 LYS 19 far 9 93 10 - 3.2-20.9 HA ALA 21 - HD2 LYS 24 far 8 53 15 - 3.9-12.1 HA LYS 26 - HD3 LYS 31 far 7 75 10 - 4.2-13.7 HA LYS 31 - HD2 LYS 26 far 7 73 10 - 4.7-17.2 HA ALA 28 - HD2 LYS 31 far 7 46 15 - 4.6-12.8 HA ALA 21 - HD3 LYS 24 far 7 69 10 - 3.1-12.2 HA THR 25 - HD2 LYS 31 far 6 62 10 - 4.3-15.2 HA THR 25 - HD3 LYS 31 far 6 57 10 - 4.3-14.5 HA LYS 31 - HD2 LYS 19 far 5 100 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 5 100 5 - 3.5-28.9 HA LYS 26 - HD3 LYS 24 far 5 97 5 - 4.6-10.7 HA ALA 15 - HD3 LYS 24 far 5 95 5 - 5.0-21.8 HA THR 25 - HD2 LYS 19 far 4 84 5 - 4.9-18.6 HA ALA 16 - HD2 LYS 31 far 4 80 5 - 4.9-27.6 HA LYS 31 - HD2 LYS 36 far 4 79 5 - 4.5-11.5 HA THR 18 - HD2 LYS 24 far 4 77 5 - 3.6-15.2 HA THR 18 - HD2 LYS 31 far 4 76 5 - 4.8-23.0 HA ALA 108 - HD2 LYS 26 far 4 71 5 - 4.8-33.2 HA THR 18 - HD3 LYS 31 far 3 70 5 - 4.8-24.1 HA GLN 61 - HD2 LYS 26 far 3 69 5 - 4.2-27.0 HA GLN 27 - HD3 LYS 24 far 3 69 5 - 4.5-14.4 HA LYS 36 - HD2 LYS 26 far 3 64 5 - 4.9-28.2 HA ALA 109 - HD3 LYS 26 far 3 62 5 - 4.8-33.6 HA GLN 61 - HD3 LYS 26 far 3 61 5 - 4.2-26.3 HA THR 25 - HD2 LYS 36 far 3 60 5 - 4.6-21.6 HA ALA 110 - HD3 LYS 26 far 3 56 5 - 4.9-35.3 HA GLN 27 - HD3 LYS 36 far 3 53 5 - 4.1-18.3 HA GLN 27 - HD2 LYS 31 far 3 53 5 - 4.9-12.0 HA GLN 27 - HD2 LYS 26 far 2 46 5 - 4.9-7.8 HA ALA 28 - HD2 LYS 26 far 2 40 5 - 4.8-10.6 HA GLN 27 - HD3 LYS 26 far 2 40 5 - 4.8-8.0 HA ALA 28 - HD3 LYS 31 far 0 42 0 - 5.2-12.0 HA ALA 21 - HD3 LYS 36 far 0 53 0 - 5.2-27.3 HA ALA 15 - HD3 LYS 31 far 0 72 0 - 5.3-25.6 HA THR 25 - HD3 LYS 19 far 0 85 0 - 5.3-20.4 HA ALA 21 - HD2 LYS 36 far 0 51 0 - 5.3-26.7 HA ALA 15 - HD2 LYS 24 far 0 79 0 - 5.4-22.2 HA LYS 31 - HD3 LYS 36 far 0 82 0 - 5.5-11.8 HA LEU 22 - HD2 LYS 26 far 0 71 0 - 5.5-15.0 HA GLN 27 - HD2 LYS 36 far 0 51 0 - 5.6-17.4 HA GLN 27 - HD2 LYS 24 far 0 53 0 - 5.6-13.6 HA ARG 23 - HD2 LYS 31 far 0 79 0 - 5.6-16.4 HA ALA 15 - HD2 LYS 31 far 0 78 0 - 5.7-24.6 HA GLN 27 - HD3 LYS 31 far 0 48 0 - 5.8-11.4 HA LYS 36 - HD3 LYS 26 far 0 56 0 - 5.8-27.5 HA ALA 21 - HD3 LYS 26 far 0 40 0 - 5.8-15.9 HA THR 25 - HD3 LYS 36 far 0 63 0 - 5.9-22.2 HA ALA 21 - HD3 LYS 19 far 0 73 0 - 5.9-10.7 HA ALA 28 - HD3 LYS 26 far 0 35 0 - 6.0-9.9 HA GLN 61 - HD3 LYS 31 far 0 72 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 73 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 82 0 - 6.0-10.6 HA LEU 22 - HD2 LYS 19 far 0 99 0 - 6.1-11.8 HA ALA 109 - HD2 LYS 26 far 0 71 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 99 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 62 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 73 0 - 6.2-17.8 HA ALA 28 - HD2 LYS 24 far 0 47 0 - 6.3-14.3 HA ALA 16 - HD2 LYS 19 far 0 99 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 74 0 - 6.3-29.1 HA ALA 28 - HD3 LYS 24 far 0 61 0 - 6.5-13.5 HA LEU 22 - HD3 LYS 19 far 0 99 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 62 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 97 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 64 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 64 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 78 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 73 0 - 6.7-32.3 HA ALA 16 - HD3 LYS 19 far 0 100 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 73 0 - 6.7-11.4 HA THR 18 - HD3 LYS 36 far 0 77 0 - 6.8-33.0 HA ALA 110 - HD2 LYS 19 far 0 94 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 95 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 100 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 89 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 72 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 100 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 99 0 - 7.0-14.4 HA LYS 26 - HD2 LYS 36 far 0 78 0 - 7.0-20.6 HA ALA 16 - HD3 LYS 36 far 0 81 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 81 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 82 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 60 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 46 0 - 7.2-16.4 HA ALA 28 - HD2 LYS 19 far 0 65 0 - 7.3-23.0 HA LYS 19 - HD3 LYS 31 far 0 75 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 79 0 - 7.5-26.2 HA GLN 27 - HD2 LYS 19 far 0 73 0 - 7.5-22.5 HA ALA 108 - HD3 LYS 24 far 0 96 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 79 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 76 0 - 7.6-24.0 HA ALA 28 - HD3 LYS 19 far 0 65 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 72 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 90 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 66 0 - 7.6-15.2 HA SER 124 - HD2 LYS 95 far 0 38 0 - 7.7-13.6 HA LYS 19 - HD2 LYS 26 far 0 73 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 98 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 82 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 81 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 79 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 95 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 61 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 80 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 59 0 - 8.2-20.7 HA ALA 28 - HD3 LYS 36 far 0 47 0 - 8.2-16.0 HA ALA 15 - HD2 LYS 26 far 0 69 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 66 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 73 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 99 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 79 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 98 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 77 0 - 8.4-31.3 HA THR 25 - HD2 LYS 95 far 0 54 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 96 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 75 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 77 0 - 8.5-27.7 HA THR 25 - HD3 LYS 95 far 0 46 0 - 8.5-30.6 HA ALA 109 - HD3 LYS 19 far 0 99 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 82 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 99 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 67 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 53 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 79 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 63 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 99 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 73 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 48 0 - 9.3-22.5 HA ALA 28 - HD2 LYS 36 far 0 44 0 - 9.4-15.3 HA SER 124 - HD3 LYS 95 far 0 32 0 - 9.5-12.9 HA ALA 108 - HD3 LYS 31 far 0 73 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 79 0 - 9.5-32.1 HA PHE 87 - HD2 LYS 95 far 0 72 0 - 9.6-13.0 HA SER 74 - HD2 LYS 95 far 0 57 0 - 9.6-12.5 HA ALA 12 - HD2 LYS 31 far 0 71 0 - 9.6-26.0 HA SER 74 - HD3 LYS 95 far 0 49 0 - 9.6-11.9 HA ALA 12 - HD3 LYS 31 far 0 65 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 99 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 80 0 - 9.7-44.1 HA ALA 28 - HD2 LYS 95 far 0 40 0 - 9.8-28.9 HB THR 115 - HD3 LYS 26 far 0 64 0 - 9.8-33.3 HA ALA 110 - HD3 LYS 95 far 0 54 0 - 9.9-28.3 HA ALA 16 - HD2 LYS 26 far 0 71 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 94 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 80 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 75 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 305 from aliabs.peaks (1.74, 1.65, 28.66 ppm; 4.74 A): 12 out of 67 assignments used, quality = 1.00: * HB2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.5-4.2 3.9=100 HB2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-4.1 3.9=100 HB2 LYS 24 + HD3 LYS 24 OK 98 98 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 82 82 100 100 1.9-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 81 81 100 100 2.9-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 75 75 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 72 72 100 100 2.1-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 64 64 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 26 OK 35 64 55 98 2.4-15.6 639/2.9=8, 628/2.9=8...(164) HB2 LYS 31 + HD2 LYS 26 OK 32 73 45 99 3.3-16.0 639/2.9=8, 628/2.9=8...(183) HB2 LYS 26 + HD2 LYS 31 OK 32 81 40 99 4.5-13.8 10770/10771=17...(196) HB2 LYS 19 + HD3 LYS 24 OK 28 98 30 96 4.7-15.4 823/3.0=5, 1.8/2632=4...(146) HB2 LYS 26 - HD3 LYS 31 poor 19 75 25 - 4.1-13.7 HB2 LYS 24 - HD2 LYS 19 poor 18 100 35 51 4.1-16.1 790/5.2=2, 255=2...(7) HB2 ARG 23 - HD3 LYS 26 poor 18 60 30 - 3.3-13.9 HB2 ARG 23 - HD2 LYS 26 poor 17 68 25 - 2.0-13.7 HB2 LYS 24 - HD3 LYS 19 poor 14 100 25 55 2.7-16.8 790/5.2=2, 514/3.0=2...(8) HB2 LYS 19 - HD2 LYS 24 far 12 82 15 - 3.7-16.1 HB2 ARG 23 - HD2 LYS 24 far 12 78 15 - 5.8-9.7 HB2 ARG 23 - HD3 LYS 24 far 9 94 10 - 4.5-9.5 HB2 LYS 26 - HD2 LYS 36 far 8 79 10 - 5.6-20.8 HB2 LYS 31 - HD2 LYS 19 far 5 100 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 5 100 5 - 5.5-29.5 HB2 LYS 26 - HD3 LYS 24 far 5 98 5 - 2.0-12.6 HB2 LYS 31 - HD3 LYS 24 far 5 98 5 - 6.2-19.4 HB2 LYS 24 - HD3 LYS 36 far 4 82 5 - 4.2-25.9 HB2 LYS 26 - HD2 LYS 24 far 4 82 5 - 3.6-12.6 HB2 LYS 26 - HD3 LYS 36 far 4 82 5 - 6.1-21.8 HB2 LYS 24 - HD2 LYS 31 far 4 81 5 - 4.7-17.2 HB2 LYS 19 - HD2 LYS 31 far 4 81 5 - 5.1-23.0 HB2 LYS 24 - HD2 LYS 36 far 4 79 5 - 3.0-25.5 HB2 LYS 31 - HD2 LYS 36 far 4 79 5 - 5.5-12.6 HB2 ARG 23 - HD3 LYS 36 far 4 78 5 - 5.5-23.2 HB2 ARG 23 - HD2 LYS 31 far 4 77 5 - 5.5-17.1 HB2 LYS 19 - HD3 LYS 31 far 4 75 5 - 4.6-23.5 HB2 LYS 24 - HD3 LYS 31 far 4 75 5 - 5.9-18.6 HB2 ARG 23 - HD2 LYS 36 far 4 74 5 - 6.0-22.4 HB2 LYS 19 - HD2 LYS 26 far 4 73 5 - 6.2-21.7 HB2 LYS 24 - HD2 LYS 26 far 4 73 5 - 6.1-12.1 HB2 ARG 23 - HD3 LYS 31 far 4 71 5 - 6.2-18.0 HB2 LYS 19 - HD3 LYS 26 far 3 64 5 - 5.6-21.9 HB2 ARG 23 - HD2 LYS 19 far 0 98 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 82 0 - 6.5-12.1 HG13 ILE 129 - HD2 LYS 95 far 0 72 0 - 6.5-11.1 HB2 LYS 26 - HD3 LYS 19 far 0 100 0 - 6.6-24.6 HG13 ILE 129 - HD3 LYS 95 far 0 62 0 - 6.6-9.8 HB2 LYS 31 - HD2 LYS 24 far 0 82 0 - 6.7-18.3 HG3 ARG 90 - HD3 LYS 95 far 0 60 0 - 7.0-10.9 HB2 LYS 26 - HD2 LYS 19 far 0 100 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 64 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 63 0 - 7.5-15.4 HG3 ARG 90 - HD2 LYS 95 far 0 70 0 - 7.8-12.0 HB2 ARG 23 - HD3 LYS 19 far 0 98 0 - 8.0-15.0 HB2 LYS 39 - HD3 LYS 24 far 0 80 0 - 8.5-31.4 HB2 LYS 39 - HD2 LYS 36 far 0 60 0 - 8.9-14.2 HB3 LEU 70 - HD2 LYS 36 far 0 40 0 - 9.0-14.8 HB3 LEU 70 - HD3 LYS 36 far 0 43 0 - 9.0-15.3 HB2 LYS 24 - HD3 LYS 95 far 0 62 0 - 9.1-34.0 HB2 LYS 19 - HD3 LYS 36 far 0 82 0 - 9.2-30.9 HB3 LEU 70 - HD2 LYS 31 far 0 42 0 - 9.3-20.2 HB3 LEU 70 - HD3 LYS 95 far 0 30 0 - 9.3-14.6 HB3 LEU 70 - HD3 LYS 31 far 0 38 0 - 9.6-19.5 HG LEU 100 - HD2 LYS 31 far 0 40 0 - 9.6-21.5 HB2 LYS 24 - HD2 LYS 95 far 0 72 0 - 9.7-34.8 HB2 LYS 39 - HD2 LYS 19 far 0 84 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 36 0 - 9.9-21.8 HB2 LYS 39 - HD2 LYS 24 far 0 63 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 306 from aliabs.peaks (1.81, 1.65, 28.66 ppm; 3.42 A): 14 out of 94 assignments used, quality = 1.00: * HB3 LYS 19 + HD3 LYS 19 OK 97 100 100 97 2.1-3.7 3.9=65, 10697/10696=10...(71) HB3 LYS 19 + HD2 LYS 19 OK 97 100 100 97 2.2-3.7 3.9=65, 10697/10696=11...(71) HB3 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.5-4.2 3.5=91, 482/546=26...(39) HB3 LYS 24 + HD2 LYS 24 OK 79 79 100 100 2.2-4.2 3.5=91, 482/546=25...(39) HB3 LYS 31 + HD2 LYS 31 OK 79 80 100 99 2.5-4.2 3.5=94, 6332/6.2=16...(62) HB2 LYS 36 + HD3 LYS 36 OK 77 77 100 100 2.1-4.0 3.5=92, 1.8/1042=29...(78) HB2 LYS 36 + HD2 LYS 36 OK 73 73 100 100 2.0-4.2 3.5=92, 1.8/1031=28...(79) HB3 LYS 31 + HD3 LYS 31 OK 73 74 100 99 2.1-3.8 3.5=94, 6332/6.2=16...(62) HB3 LYS 26 + HD2 LYS 26 OK 69 69 100 99 2.2-4.0 3.5=92, 6251/5.7=21...(68) HB3 LYS 26 + HD3 LYS 26 OK 60 61 100 99 2.0-4.1 3.5=92, 6251/5.7=21...(68) HB ILE 32 + HD2 LYS 36 OK 37 78 50 95 2.1-6.8 ~10901=19, 2.1/10837=19...(42) HB ILE 32 + HD3 LYS 36 OK 31 81 40 95 2.3-8.3 ~10901=19, 2.1/10837=18...(43) HB3 LYS 19 + HD3 LYS 24 OK 22 98 35 66 3.5-15.3 824/3.0=2, 2632=2...(31) HB3 LYS 31 + HD3 LYS 26 OK 21 63 40 83 3.4-17.4 629/2.9=5, 273/2.9=4...(76) HB3 ARG 23 - HD2 LYS 26 poor 20 66 30 - 2.9-14.2 HB3 LYS 24 - HD3 LYS 19 poor 20 99 20 - 2.0-16.3 HB ILE 32 - HD3 LYS 31 poor 19 74 25 - 4.1-9.2 HB3 LYS 31 - HD2 LYS 26 poor 18 71 25 - 2.9-17.3 HB3 ARG 23 - HD3 LYS 26 poor 17 58 30 - 2.9-14.6 HB3 LYS 19 - HD2 LYS 24 poor 15 82 25 74 2.0-16.0 824/3.0=2, 2631=2...(30) HB3 LEU 98 - HD3 LYS 95 poor 13 38 35 - 3.6-8.7 HB3 LYS 26 - HD2 LYS 31 far 12 78 15 - 4.2-14.4 HB ILE 32 - HD3 LYS 26 far 9 63 15 - 4.0-17.6 HB ILE 32 - HD2 LYS 26 far 7 72 10 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 far 7 72 10 - 4.5-14.4 HB3 LEU 98 - HD2 LYS 95 far 7 45 15 - 4.7-9.5 HB2 LYS 36 - HD3 LYS 26 far 6 59 10 - 4.4-27.1 HB3 LYS 31 - HD3 LYS 19 far 5 100 5 - 4.1-28.8 HB3 LYS 31 - HD2 LYS 19 far 5 99 5 - 3.6-27.6 HB3 LYS 24 - HD2 LYS 19 far 5 99 5 - 3.7-15.7 HB3 LYS 26 - HD3 LYS 24 far 5 95 5 - 3.7-12.3 HB3 LYS 24 - HD2 LYS 36 far 4 76 5 - 4.2-24.7 HB3 ARG 23 - HD3 LYS 36 far 4 76 5 - 4.9-23.1 HB3 LEU 98 - HD3 LYS 24 far 3 69 5 - 4.2-35.7 HB3 LEU 98 - HD2 LYS 24 far 3 53 5 - 4.6-36.8 HB2 LYS 36 - HD2 LYS 31 far 0 76 0 - 5.0-15.5 HB2 LYS 36 - HD2 LYS 26 far 0 67 0 - 5.1-27.9 HB3 LYS 26 - HD2 LYS 24 far 0 79 0 - 5.1-12.6 HB3 ARG 23 - HD3 LYS 24 far 0 93 0 - 5.2-9.3 HB3 LYS 24 - HD2 LYS 31 far 0 79 0 - 5.4-17.9 HB2 LEU 48 - HD3 LYS 36 far 0 45 0 - 5.4-16.0 HB3 LYS 24 - HD3 LYS 36 far 0 79 0 - 5.5-25.2 HB ILE 32 - HD2 LYS 31 far 0 80 0 - 5.5-9.5 HB2 LYS 36 - HD2 LYS 24 far 0 77 0 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 0 72 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 70 0 - 5.9-14.3 HB VAL 93 - HD3 LYS 95 far 0 43 0 - 5.9-8.8 HB3 ARG 23 - HD2 LYS 24 far 0 76 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 75 0 - 5.9-24.7 HB2 LEU 48 - HD2 LYS 31 far 0 44 0 - 6.0-24.3 HB3 LYS 26 - HD3 LYS 36 far 0 79 0 - 6.0-22.1 HB2 LEU 48 - HD2 LYS 36 far 0 42 0 - 6.0-17.2 HB3 LYS 19 - HD2 LYS 31 far 0 81 0 - 6.0-24.2 HB VAL 93 - HD2 LYS 95 far 0 51 0 - 6.0-10.4 HB2 LEU 48 - HD3 LYS 24 far 0 58 0 - 6.2-28.4 HB3 ARG 23 - HD2 LYS 31 far 0 75 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 69 0 - 6.2-17.9 HB2 LEU 48 - HD3 LYS 26 far 0 33 0 - 6.3-29.6 HB3 LYS 24 - HD3 LYS 31 far 0 73 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 70 0 - 6.4-12.7 HB2 LEU 48 - HD2 LYS 24 far 0 45 0 - 6.4-29.8 HB3 LYS 19 - HD2 LYS 26 far 0 73 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 75 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 64 0 - 6.5-21.5 HB2 LEU 48 - HD3 LYS 31 far 0 40 0 - 6.7-23.0 HB3 LYS 31 - HD2 LYS 36 far 0 77 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 96 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 97 0 - 6.8-18.8 HB2 LEU 48 - HD2 LYS 26 far 0 38 0 - 6.9-30.1 HB2 LYS 36 - HD3 LYS 24 far 0 94 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 99 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 97 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 81 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 98 0 - 7.3-22.9 HB2 LEU 48 - HD2 LYS 19 far 0 62 0 - 7.3-36.4 HB3 LEU 122 - HD3 LYS 24 far 0 84 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 81 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 95 far 0 60 0 - 7.6-33.5 HB3 LYS 24 - HD3 LYS 26 far 0 62 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 95 far 0 57 0 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 95 far 0 49 0 - 7.8-11.4 HB ILE 32 - HD3 LYS 19 far 0 100 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 100 0 - 8.1-28.1 HB3 LYS 24 - HD2 LYS 95 far 0 69 0 - 8.2-34.6 HB3 LEU 122 - HD2 LYS 24 far 0 67 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 76 0 - 8.3-39.4 HB2 LEU 48 - HD3 LYS 19 far 0 63 0 - 8.4-37.8 HB ILE 32 - HD2 LYS 24 far 0 81 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 55 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 55 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 75 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 52 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 53 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 307 from aliabs.peaks (1.37, 1.65, 28.66 ppm; 3.21 A): 14 out of 150 assignments used, quality = 1.00: * HG2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 77 77 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 73 73 100 100 2.3-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 69 69 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 66 66 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 64 64 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 60 60 100 100 2.3-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 58 58 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 56 56 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 52 52 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 48 48 100 100 2.2-3.0 2.9=100 QB ALA 12 - HD2 LYS 19 poor 19 96 20 - 2.2-15.1 QB ALA 28 - HD2 LYS 31 poor 18 71 25 - 2.1-10.6 HG2 LYS 24 - HD3 LYS 19 far 15 99 15 - 2.1-17.8 HG2 LYS 24 - HD2 LYS 19 far 15 99 15 - 3.2-16.1 HG2 LYS 19 - HD3 LYS 24 far 15 98 15 - 2.7-16.9 QB ALA 12 - HD3 LYS 19 far 14 97 15 - 2.1-15.8 HG3 LYS 26 - HD3 LYS 31 far 10 69 15 - 3.4-15.4 QB ALA 28 - HD3 LYS 31 far 10 65 15 - 2.9-9.7 QB ALA 15 - HD2 LYS 19 far 10 96 10 - 3.7-12.8 HB2 LEU 42 - HD2 LYS 36 far 8 78 10 - 4.0-11.4 QB ALA 28 - HD2 LYS 24 far 7 72 10 - 4.4-13.3 QB ALA 15 - HD3 LYS 19 far 5 97 5 - 3.8-12.9 QB ALA 108 - HD3 LYS 24 far 5 94 5 - 4.5-33.1 QB ALA 28 - HD3 LYS 19 far 5 93 5 - 4.6-21.9 QB ALA 15 - HD3 LYS 24 far 5 93 5 - 3.5-17.1 HG3 LYS 26 - HD3 LYS 24 far 5 93 5 - 3.7-11.0 QB ALA 12 - HD3 LYS 24 far 5 93 5 - 4.3-18.1 HG3 LYS 31 - HD3 LYS 19 far 5 92 5 - 4.1-26.6 HG3 LYS 31 - HD2 LYS 19 far 5 91 5 - 4.6-25.3 HG3 LYS 95 - HD3 LYS 24 far 4 87 5 - 3.7-36.4 HG2 LYS 19 - HD2 LYS 24 far 4 82 5 - 3.0-17.8 HG2 LYS 95 - HD3 LYS 24 far 4 82 5 - 4.1-36.2 HB2 LEU 42 - HD3 LYS 36 far 4 82 5 - 3.8-11.6 QB ALA 29 - HD2 LYS 31 far 4 78 5 - 2.5-9.8 QB ALA 15 - HD2 LYS 24 far 4 76 5 - 4.1-17.3 HG3 LYS 26 - HD2 LYS 31 far 4 75 5 - 3.6-15.7 QB ALA 15 - HD2 LYS 31 far 4 75 5 - 3.6-21.3 QB ALA 21 - HD3 LYS 19 far 4 73 5 - 4.5-8.8 QB ALA 29 - HD3 LYS 31 far 4 72 5 - 3.0-9.8 HG3 LYS 95 - HD2 LYS 24 far 4 70 5 - 3.4-37.4 HG3 LYS 31 - HD3 LYS 36 far 4 70 5 - 4.6-13.4 QB ALA 29 - HD2 LYS 26 far 3 69 5 - 4.7-11.1 QB ALA 15 - HD3 LYS 31 far 3 69 5 - 3.8-22.6 QB ALA 21 - HD3 LYS 24 far 3 69 5 - 4.6-10.6 QB ALA 110 - HD2 LYS 26 far 3 65 5 - 3.6-30.2 HG2 LYS 95 - HD2 LYS 24 far 3 65 5 - 4.4-37.2 QB ALA 29 - HD3 LYS 26 far 3 61 5 - 4.5-11.4 QB ALA 109 - HD2 LYS 26 far 3 58 5 - 4.4-27.7 QB ALA 110 - HD3 LYS 26 far 3 57 5 - 2.4-29.3 HG3 LYS 31 - HD3 LYS 26 far 3 53 5 - 3.0-16.8 QB ALA 21 - HD2 LYS 24 far 3 53 5 - 3.9-10.7 HG3 LYS 31 - HD2 LYS 26 far 0 61 0 - 4.8-17.0 HG3 LYS 31 - HD2 LYS 36 far 0 67 0 - 4.8-13.4 QB ALA 28 - HD3 LYS 24 far 0 89 0 - 4.8-12.7 QB ALA 16 - HD2 LYS 19 far 0 80 0 - 4.8-11.3 QB ALA 108 - HD3 LYS 26 far 0 60 0 - 4.8-26.0 HG3 LYS 26 - HD2 LYS 36 far 0 72 0 - 4.8-22.9 QB ALA 21 - HD2 LYS 19 far 0 73 0 - 4.8-9.4 QB ALA 16 - HD2 LYS 24 far 0 59 0 - 4.9-17.1 HG LEU 96 - HD2 LYS 95 far 0 40 0 - 5.0-10.2 QB ALA 109 - HD3 LYS 26 far 0 51 0 - 5.1-28.1 HG2 LYS 36 - HD3 LYS 26 far 0 59 0 - 5.1-24.7 QB ALA 108 - HD2 LYS 24 far 0 78 0 - 5.1-33.9 HG2 LYS 24 - HD3 LYS 26 far 0 62 0 - 5.2-11.4 QB ALA 29 - HD3 LYS 36 far 0 79 0 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 0 75 0 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 0 77 0 - 5.3-25.5 QB ALA 16 - HD2 LYS 31 far 0 59 0 - 5.3-24.0 QB ALA 29 - HD2 LYS 24 far 0 79 0 - 5.3-13.3 HG3 LYS 26 - HD2 LYS 24 far 0 76 0 - 5.3-11.0 QB ALA 29 - HD3 LYS 24 far 0 95 0 - 5.3-12.6 QB ALA 16 - HD3 LYS 19 far 0 81 0 - 5.4-11.1 QB ALA 21 - HD2 LYS 36 far 0 51 0 - 5.4-24.2 QB ALA 28 - HD2 LYS 26 far 0 63 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 76 0 - 5.6-18.4 HB2 LEU 96 - HD2 LYS 95 far 0 67 0 - 5.6-9.4 QB ALA 21 - HD3 LYS 36 far 0 53 0 - 5.6-24.7 QB ALA 21 - HD2 LYS 31 far 0 53 0 - 5.6-19.4 QB ALA 16 - HD3 LYS 24 far 0 76 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 71 0 - 5.8-11.1 HG LEU 96 - HD3 LYS 95 far 0 33 0 - 5.8-9.4 QB ALA 21 - HD3 LYS 31 far 0 48 0 - 5.8-20.4 HG2 LYS 36 - HD2 LYS 26 far 0 67 0 - 5.9-25.5 HB2 LEU 96 - HD3 LYS 95 far 0 57 0 - 5.9-9.0 HG3 LYS 31 - HD3 LYS 24 far 0 87 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 93 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 76 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 70 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 68 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 55 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 76 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 53 0 - 6.3-25.2 QB ALA 21 - HD3 LYS 26 far 0 40 0 - 6.3-14.8 QB ALA 12 - HD3 LYS 31 far 0 69 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 80 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 89 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 75 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 70 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 59 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 77 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 95 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 81 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 73 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 79 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 99 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 88 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 58 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 66 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 68 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 75 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 58 0 - 7.4-19.3 QB ALA 21 - HD2 LYS 26 far 0 46 0 - 7.4-14.7 QB ALA 16 - HD2 LYS 36 far 0 57 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 98 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 77 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 55 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 96 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 64 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 68 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 84 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 94 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 72 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 71 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 60 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 72 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 67 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 76 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 73 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 64 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 51 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 45 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 70 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 98 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 98 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 97 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 62 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 96 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 74 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 97 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 72 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 82 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 64 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 76 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 62 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 71 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 94 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 308 from aliabs.peaks (1.44, 1.65, 28.66 ppm; 2.82 A): 10 out of 72 assignments used, quality = 1.00: * HG3 LYS 19 + HD3 LYS 19 OK 91 100 100 91 2.2-3.0 3.0=86, 6152/6.2=7...(23) HG3 LYS 19 + HD2 LYS 19 OK 91 100 100 91 2.2-3.0 3.0=86, 6152/6.2=7...(23) HG3 LYS 24 + HD3 LYS 24 OK 86 94 100 91 2.2-3.0 3.0=86, 484/546=14...(15) HG3 LYS 24 + HD2 LYS 24 OK 70 77 100 91 2.2-3.0 3.0=86, 484/546=14...(15) HG2 LYS 26 + HD2 LYS 26 OK 67 70 100 95 2.2-3.0 2.9=93, 6252/5.7=12...(14) HG2 LYS 26 + HD3 LYS 26 OK 59 62 100 95 2.2-2.9 2.9=93, 6252/5.7=12...(14) HG2 LYS 31 + HD2 LYS 31 OK 57 62 100 91 2.2-3.0 2.9=88, 5.0/6336=5...(10) HG3 LYS 36 + HD3 LYS 36 OK 55 59 100 93 2.2-3.0 3.0=85, 3.0/1031=15...(23) HG3 LYS 36 + HD2 LYS 36 OK 53 57 100 93 2.5-3.0 3.0=85, 3.0/1031=14...(23) HG2 LYS 31 + HD3 LYS 31 OK 52 57 100 91 2.3-3.0 2.9=88, 5.0/6336=5...(10) HG3 LYS 24 - HD3 LYS 19 poor 19 97 20 - 2.0-17.8 HG13 ILE 32 - HD2 LYS 26 poor 17 68 25 - 2.5-16.4 HG13 ILE 32 - HD3 LYS 26 poor 12 60 20 - 2.0-15.6 HG13 ILE 32 - HD2 LYS 31 far 12 77 15 - 3.3-9.3 QB ALA 92 - HD2 LYS 95 far 10 68 15 - 3.1-7.6 HG3 LYS 24 - HD2 LYS 19 far 10 97 10 - 2.7-16.7 QB ALA 92 - HD3 LYS 95 far 9 59 15 - 3.6-6.8 HG13 ILE 32 - HD3 LYS 31 poor 8 71 30 36 2.0-10.3 10757/5.2=5, 6333/6.2=3...(17) HG2 LYS 26 - HD3 LYS 24 far 5 96 5 - 3.7-12.2 HG13 ILE 32 - HD3 LYS 36 far 4 78 5 - 3.6-8.5 HG13 ILE 32 - HD2 LYS 36 far 4 74 5 - 4.2-7.8 HG2 LYS 26 - HD3 LYS 31 far 4 73 5 - 4.2-16.2 QB ALA 34 - HD3 LYS 36 far 3 55 5 - 4.1-8.0 HG2 LYS 31 - HD2 LYS 26 far 3 55 5 - 3.5-18.0 HG2 LYS 31 - HD3 LYS 26 far 2 48 5 - 4.2-17.6 HG3 LYS 36 - HD3 LYS 26 far 2 45 5 - 3.6-25.1 HG3 LYS 19 - HD2 LYS 24 far 0 82 0 - 4.4-17.3 HG3 LYS 19 - HD3 LYS 24 far 0 98 0 - 4.4-17.3 QB ALA 34 - HD2 LYS 36 far 0 53 0 - 4.7-8.0 QB ALA 34 - HD2 LYS 26 far 0 48 0 - 4.9-20.3 HG2 LYS 26 - HD2 LYS 31 far 0 79 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 76 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 79 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 51 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 73 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 63 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 63 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 59 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 53 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 85 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 84 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 79 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 59 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 59 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 60 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 67 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 80 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 77 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 98 0 - 6.2-26.5 QB ALA 34 - HD3 LYS 26 far 0 41 0 - 6.2-20.6 HG3 LYS 19 - HD3 LYS 31 far 0 75 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 76 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 76 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 98 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 81 0 - 6.8-25.5 QB ALA 34 - HD2 LYS 24 far 0 55 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 71 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 94 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 78 0 - 7.4-16.8 HG3 LYS 24 - HD3 LYS 95 far 0 57 0 - 7.8-36.0 HG3 LYS 19 - HD3 LYS 26 far 0 64 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 70 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 67 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 73 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 50 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 55 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 99 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 99 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 95 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 79 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 80 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 81 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 309 from aliabs.peaks (1.65, 1.65, 28.66 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 97 97 - 100 HD2 LYS 31 + HD2 LYS 31 OK 80 80 - 100 HD3 LYS 36 + HD3 LYS 36 OK 76 76 - 100 HD2 LYS 24 + HD2 LYS 24 OK 76 76 - 100 HD3 LYS 31 + HD3 LYS 31 OK 72 72 - 100 HD2 LYS 36 + HD2 LYS 36 OK 71 71 - 100 HD2 LYS 95 + HD2 LYS 95 OK 71 71 - 100 HD2 LYS 26 + HD2 LYS 26 OK 68 68 - 100 HD3 LYS 95 + HD3 LYS 95 OK 58 58 - 100 HD3 LYS 26 + HD3 LYS 26 OK 57 57 - 100 Reference assignment not found: HD2 LYS 19 - HD3 LYS 19 Peak 310 from aliabs.peaks (1.65, 1.65, 28.66 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 97 97 - 100 HD2 LYS 31 + HD2 LYS 31 OK 79 79 - 100 HD3 LYS 36 + HD3 LYS 36 OK 73 73 - 100 HD2 LYS 24 + HD2 LYS 24 OK 73 73 - 100 HD3 LYS 31 + HD3 LYS 31 OK 70 70 - 100 HD2 LYS 95 + HD2 LYS 95 OK 70 70 - 100 HD2 LYS 36 + HD2 LYS 36 OK 68 68 - 100 HD2 LYS 26 + HD2 LYS 26 OK 66 66 - 100 HD3 LYS 95 + HD3 LYS 95 OK 56 56 - 100 HD3 LYS 26 + HD3 LYS 26 OK 55 55 - 100 Peak 311 from aliabs.peaks (2.95, 1.65, 28.66 ppm; 3.36 A): 20 out of 114 assignments used, quality = 1.00: * HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 82 82 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 78 78 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 78 78 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 78 78 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 75 75 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 75 75 100 100 2.4-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 72 72 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 71 71 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 64 64 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 62 62 100 100 2.2-3.0 3.0=100 HE2 LYS 24 - HD3 LYS 19 poor 20 100 20 - 2.7-18.2 HE3 LYS 26 - HD2 LYS 36 poor 15 77 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 far 15 100 15 - 2.6-17.0 HE3 LYS 36 - HD3 LYS 26 poor 13 63 20 - 3.8-24.9 HE3 LYS 36 - HD2 LYS 26 far 11 72 15 - 3.3-25.8 HE3 LYS 24 - HD3 LYS 19 far 10 98 10 - 2.2-19.0 HE3 LYS 24 - HD2 LYS 19 far 10 98 10 - 2.9-18.4 HE2 LYS 19 - HD3 LYS 24 far 10 98 10 - 4.2-18.5 HE2 LYS 36 - HD3 LYS 26 far 9 63 15 - 2.9-24.6 HE3 LYS 19 - HD2 LYS 24 far 8 82 10 - 3.9-18.3 HE2 LYS 31 - HD3 LYS 36 far 8 82 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 8 80 10 - 3.6-25.8 HE2 LYS 31 - HD2 LYS 36 far 8 78 10 - 3.1-14.2 HE2 LYS 36 - HD2 LYS 26 far 7 72 10 - 1.9-25.5 HB2 CYS 45 - HD3 LYS 36 far 6 59 10 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 far 6 57 10 - 4.5-10.8 HE3 LYS 19 - HD3 LYS 24 far 5 98 5 - 3.7-17.8 HE2 LYS 26 - HD3 LYS 36 far 4 82 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 4 82 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 31 far 4 80 5 - 4.6-13.1 HE2 LYS 26 - HD2 LYS 36 far 4 78 5 - 3.3-25.2 HE3 LYS 31 - HD2 LYS 36 far 4 78 5 - 3.6-14.4 HE2 LYS 26 - HD3 LYS 31 far 4 75 5 - 4.6-18.1 HE2 LYS 24 - HD3 LYS 31 far 4 75 5 - 4.7-18.8 HE2 LYS 36 - HD3 LYS 31 far 4 74 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 4 73 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 4 72 5 - 3.3-15.6 HE2 LYS 31 - HD3 LYS 26 far 3 64 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 3 64 5 - 4.6-14.9 HE3 LYS 31 - HD2 LYS 26 far 0 72 0 - 4.9-15.3 HE3 LYS 24 - HD3 LYS 31 far 0 71 0 - 5.0-18.2 HE3 LYS 26 - HD2 LYS 31 far 0 79 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 81 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 82 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 74 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 76 0 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 0 58 0 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 80 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 97 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 81 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 81 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 78 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 43 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 71 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 68 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 77 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 97 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 62 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 51 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 59 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 45 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 53 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 82 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 72 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 81 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 80 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 82 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 64 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 82 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 97 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 59 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 97 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 74 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 76 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 71 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 68 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 51 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 75 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 100 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 60 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 100 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 75 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 55 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 78 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 81 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 61 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 82 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 47 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 59 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 97 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 81 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 100 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 100 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 44 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 64 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 61 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 312 from aliabs.peaks (2.95, 1.65, 28.66 ppm; 3.36 A): 20 out of 114 assignments used, quality = 1.00: HE2 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HE3 LYS 19 + HD3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 82 82 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 81 81 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 78 78 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 78 78 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 78 78 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 75 75 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 75 75 100 100 2.4-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 72 72 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 71 71 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 64 64 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 62 62 100 100 2.2-3.0 3.0=100 HE2 LYS 24 - HD3 LYS 19 poor 20 100 20 - 2.7-18.2 HE3 LYS 26 - HD2 LYS 36 poor 15 77 20 - 2.5-24.7 HE2 LYS 24 - HD2 LYS 19 far 15 100 15 - 2.6-17.0 HE3 LYS 36 - HD3 LYS 26 poor 13 63 20 - 3.8-24.9 HE3 LYS 36 - HD2 LYS 26 far 11 72 15 - 3.3-25.8 HE3 LYS 24 - HD3 LYS 19 far 10 98 10 - 2.2-19.0 HE3 LYS 24 - HD2 LYS 19 far 10 98 10 - 2.9-18.4 HE2 LYS 19 - HD3 LYS 24 far 10 98 10 - 4.2-18.5 HE2 LYS 36 - HD3 LYS 26 far 9 63 15 - 2.9-24.6 HE3 LYS 19 - HD2 LYS 24 far 8 82 10 - 3.9-18.3 HE2 LYS 31 - HD3 LYS 36 far 8 82 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 8 80 10 - 3.6-25.8 HE2 LYS 31 - HD2 LYS 36 far 8 78 10 - 3.1-14.2 HE2 LYS 36 - HD2 LYS 26 far 7 72 10 - 1.9-25.5 HB2 CYS 45 - HD3 LYS 36 far 6 59 10 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 far 6 57 10 - 4.5-10.8 HE3 LYS 19 - HD3 LYS 24 far 5 98 5 - 3.7-17.8 HE2 LYS 26 - HD3 LYS 36 far 4 82 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 36 far 4 82 5 - 4.8-13.8 HE2 LYS 36 - HD2 LYS 31 far 4 80 5 - 4.6-13.1 HE2 LYS 26 - HD2 LYS 36 far 4 78 5 - 3.3-25.2 HE3 LYS 31 - HD2 LYS 36 far 4 78 5 - 3.6-14.4 HE2 LYS 26 - HD3 LYS 31 far 4 75 5 - 4.6-18.1 HE2 LYS 24 - HD3 LYS 31 far 4 75 5 - 4.7-18.8 HE2 LYS 36 - HD3 LYS 31 far 4 74 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 4 73 5 - 3.6-17.7 HE2 LYS 31 - HD2 LYS 26 far 4 72 5 - 3.3-15.6 HE2 LYS 31 - HD3 LYS 26 far 3 64 5 - 4.2-14.6 HE3 LYS 31 - HD3 LYS 26 far 3 64 5 - 4.6-14.9 HE3 LYS 31 - HD2 LYS 26 far 0 72 0 - 4.9-15.3 HE3 LYS 24 - HD3 LYS 31 far 0 71 0 - 5.0-18.2 HE3 LYS 26 - HD2 LYS 31 far 0 79 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 81 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 82 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 74 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 76 0 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 0 58 0 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 80 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 97 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 96 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 81 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 81 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 78 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 43 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 100 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 71 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 68 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 77 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 97 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 62 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 51 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 100 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 59 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 45 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 53 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 82 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 72 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 81 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 80 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 82 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 64 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 82 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 97 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 59 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 100 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 97 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 74 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 76 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 71 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 100 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 68 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 51 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 75 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 100 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 60 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 100 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 75 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 55 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 78 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 81 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 61 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 82 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 47 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 59 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 97 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 81 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 100 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 100 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 100 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 100 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 44 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 64 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 99 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 61 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 315 from aliabs.peaks (4.27, 2.95, 41.80 ppm; 4.56 A): 15 out of 165 assignments used, quality = 1.00: * HA LYS 19 + HE2 LYS 19 OK 93 100 100 93 3.2-5.7 6.4=37, 627/3.8=22...(34) HA LYS 19 + HE3 LYS 19 OK 93 100 100 93 2.0-5.4 6.4=37, 627/3.8=22...(34) HA LYS 31 + HE2 LYS 31 OK 91 100 100 91 1.9-5.7 6.5=35, 822/3.7=23...(28) HA LYS 31 + HE3 LYS 31 OK 91 100 100 91 2.5-5.6 6.5=35, 822/3.7=23...(28) HA LYS 26 + HE3 LYS 26 OK 86 98 100 88 3.4-6.0 6.6=33, 627/3.6=24...(23) HA LYS 26 + HE2 LYS 26 OK 79 100 90 88 2.7-6.4 6.6=33, 627/3.6=24...(23) HA LYS 36 + HE3 LYS 36 OK 75 93 85 96 2.9-6.5 6.0=45, 3.0/1064=29...(24) HA LYS 36 + HE2 LYS 36 OK 62 93 70 95 3.9-6.2 6.0=45, 3.0/1064=28...(24) HA PHE 87 + HE3 LYS 86 OK 34 73 55 85 3.9-7.4 4.9/11332=31...(11) HA LYS 19 + HE2 LYS 24 OK 33 100 40 83 1.9-16.1 11770=5, 822/4.0=5...(48) HA LYS 19 + HE3 LYS 24 OK 30 94 40 80 2.9-16.7 11770=5, 822/4.0=5...(23) HA THR 25 + HE2 LYS 24 OK 28 84 40 84 2.0-8.6 9587=23, 11128/5.1=20...(16) HA THR 18 + HE3 LYS 19 OK 28 97 40 72 4.3-9.2 10686/3.8=43, 226/7.3=24...(8) HA THR 25 + HE2 LYS 26 OK 27 84 40 79 2.9-9.2 582/7.1=21, 11150/3.6=19...(13) HA THR 25 + HE3 LYS 26 OK 22 81 35 79 2.2-9.3 582/7.1=21, 11150/3.6=19...(13) HA LYS 26 - HE3 LYS 31 poor 20 100 20 - 4.4-13.1 HA LYS 26 - HE2 LYS 31 poor 20 100 20 - 5.0-12.6 HA LYS 31 - HE3 LYS 36 poor 20 99 20 - 4.8-12.9 HA LEU 22 - HE2 LYS 24 poor 20 99 20 - 3.0-11.0 HA ALA 15 - HE3 LYS 19 poor 20 99 20 - 2.0-14.9 HA ALA 21 - HE3 LYS 24 poor 19 64 30 - 2.0-13.7 HA THR 25 - HE3 LYS 24 poor 19 75 30 82 2.3-9.0 11128/5.1=20...(14) HA LEU 22 - HE3 LYS 24 poor 18 92 20 - 1.9-11.8 HA THR 18 - HE2 LYS 19 poor 17 97 25 72 2.7-8.8 10686/3.8=43, 226/7.3=24...(8) HA ARG 23 - HE2 LYS 26 poor 17 98 35 50 2.7-12.5 3.8/11618=7, 627/3.6=2...(8) HA ARG 23 - HE3 LYS 26 poor 17 96 35 50 2.0-13.5 3.8/11618=5, 627/3.6=2...(12) HA LYS 31 - HE2 LYS 26 far 15 100 15 - 5.0-18.9 HA ALA 15 - HE2 LYS 19 far 15 99 15 - 2.2-14.3 HA LYS 31 - HE3 LYS 26 far 15 98 15 - 5.3-18.9 HA GLN 27 - HE2 LYS 26 poor 14 72 20 - 3.2-8.6 HA ALA 12 - HE2 LYS 19 far 14 93 15 - 3.7-20.1 HA ALA 12 - HE3 LYS 19 far 14 93 15 - 4.5-19.2 HA ARG 23 - HE3 LYS 24 far 14 92 15 - 5.5-9.3 HA LYS 36 - HE3 LYS 26 far 14 91 15 - 3.5-29.4 HA THR 25 - HE3 LYS 31 far 13 84 15 - 2.8-14.8 HA ALA 21 - HE2 LYS 24 far 11 72 15 - 2.6-12.5 HA GLN 27 - HE3 LYS 36 far 11 71 15 - 3.3-19.2 HA GLN 27 - HE2 LYS 36 far 11 71 15 - 4.2-18.7 HA GLN 27 - HE3 LYS 26 poor 10 69 30 48 3.7-8.8 ~6267=14, ~6266=14...(12) HA LYS 26 - HE2 LYS 36 far 10 99 10 - 5.2-22.3 HA ARG 23 - HE2 LYS 36 far 10 98 10 - 5.7-25.3 HA THR 18 - HE2 LYS 24 far 10 97 10 - 4.8-17.4 HA LYS 36 - HE2 LYS 26 far 9 94 10 - 3.2-29.7 HA THR 25 - HE2 LYS 31 far 8 84 10 - 3.1-14.8 HA ALA 28 - HE3 LYS 26 far 6 61 10 - 5.4-11.4 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 5.1-27.7 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 5.6-27.5 HA ALA 16 - HE3 LYS 19 far 5 100 5 - 4.9-11.6 HA ALA 16 - HE2 LYS 19 far 5 100 5 - 5.1-12.4 HA LYS 31 - HE2 LYS 24 far 5 100 5 - 6.0-19.7 HA LYS 26 - HE2 LYS 24 far 5 100 5 - 5.6-11.4 HA LYS 31 - HE2 LYS 36 far 5 99 5 - 5.5-13.1 HA ALA 16 - HE3 LYS 31 far 5 99 5 - 5.0-28.0 HA ALA 16 - HE2 LYS 24 far 5 99 5 - 5.1-21.6 HA LEU 22 - HE2 LYS 26 far 5 99 5 - 4.0-14.7 HA ALA 109 - HE2 LYS 26 far 5 99 5 - 5.8-33.8 HA GLN 61 - HE2 LYS 26 far 5 98 5 - 2.5-26.5 HA ALA 15 - HE2 LYS 24 far 5 98 5 - 3.2-24.3 HA ARG 23 - HE2 LYS 31 far 5 98 5 - 6.0-17.4 HA ALA 15 - HE2 LYS 31 far 5 98 5 - 5.4-27.5 HA GLN 61 - HE2 LYS 24 far 5 98 5 - 5.8-25.5 HA ALA 15 - HE3 LYS 31 far 5 98 5 - 5.9-26.5 HA ALA 109 - HE3 LYS 26 far 5 97 5 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 5 97 5 - 4.9-30.3 HA LEU 22 - HE3 LYS 26 far 5 97 5 - 5.2-15.2 HA THR 18 - HE3 LYS 31 far 5 97 5 - 5.3-25.8 HA THR 18 - HE2 LYS 31 far 5 97 5 - 5.9-25.3 HA THR 18 - HE3 LYS 36 far 5 96 5 - 5.0-33.6 HA GLN 61 - HE3 LYS 26 far 5 96 5 - 3.6-26.6 HA ALA 16 - HE3 LYS 24 far 5 93 5 - 5.5-21.7 HA ALA 15 - HE3 LYS 24 far 5 91 5 - 2.7-24.2 HA ALA 110 - HE3 LYS 26 far 5 91 5 - 5.9-33.9 HA THR 18 - HE3 LYS 24 far 4 89 5 - 4.1-17.6 HA THR 25 - HE2 LYS 36 far 4 83 5 - 4.9-23.1 HA THR 25 - HE3 LYS 36 far 4 83 5 - 5.5-23.8 HA GLN 27 - HE3 LYS 31 far 4 72 5 - 5.0-12.1 HA ALA 28 - HE2 LYS 26 far 3 64 5 - 5.8-11.2 HA ARG 23 - HE3 LYS 36 far 0 98 0 - 6.1-25.9 HA ARG 23 - HE2 LYS 24 far 0 98 0 - 6.3-9.4 HA ALA 16 - HE3 LYS 36 far 0 99 0 - 6.3-32.1 HA ALA 28 - HE3 LYS 31 far 0 64 0 - 6.3-12.6 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 6.3-27.2 HA GLN 61 - HE3 LYS 24 far 0 91 0 - 6.3-26.7 HA LYS 36 - HE2 LYS 24 far 0 94 0 - 6.4-29.6 HA GLN 61 - HE3 LYS 31 far 0 98 0 - 6.4-25.1 HA GLN 27 - HE3 LYS 24 far 0 64 0 - 6.5-14.9 HA ALA 28 - HE3 LYS 36 far 0 64 0 - 6.5-17.6 HA ALA 21 - HE3 LYS 36 far 0 71 0 - 6.5-28.1 HA THR 18 - HE2 LYS 36 far 0 96 0 - 6.5-32.9 HA ALA 109 - HE3 LYS 19 far 0 99 0 - 6.5-51.9 HA GLN 61 - HE2 LYS 31 far 0 98 0 - 6.6-24.3 HA ALA 108 - HE2 LYS 26 far 0 99 0 - 6.6-31.8 HA LYS 26 - HE3 LYS 24 far 0 94 0 - 6.6-11.5 HA ALA 28 - HE3 LYS 24 far 0 57 0 - 6.7-14.6 HA LYS 26 - HE3 LYS 36 far 0 99 0 - 6.7-22.7 HA GLN 27 - HE2 LYS 31 far 0 72 0 - 6.7-11.5 HA LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-26.4 HA ALA 28 - HE2 LYS 31 far 0 64 0 - 6.8-12.9 HA ALA 21 - HE2 LYS 26 far 0 72 0 - 6.8-17.6 HA ALA 108 - HE3 LYS 31 far 0 99 0 - 6.8-33.7 HA ARG 84 - HE3 LYS 86 far 0 44 0 - 7.1-8.5 HA ALA 108 - HE3 LYS 19 far 0 99 0 - 7.1-50.0 HA ARG 23 - HE3 LYS 31 far 0 98 0 - 7.1-18.5 HA LYS 36 - HE3 LYS 31 far 0 94 0 - 7.1-15.1 HA ALA 21 - HE2 LYS 36 far 0 71 0 - 7.2-27.3 HA GLN 27 - HE2 LYS 24 far 0 72 0 - 7.2-14.8 HA ALA 21 - HE3 LYS 31 far 0 72 0 - 7.2-21.7 HA LYS 31 - HE3 LYS 24 far 0 94 0 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 0 94 0 - 7.3-13.7 HA LYS 36 - HE3 LYS 24 far 0 85 0 - 7.3-29.3 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.4-25.6 HA THR 25 - HE2 LYS 19 far 0 85 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 94 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 72 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 99 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 85 0 - 7.5-20.7 HA ALA 28 - HE2 LYS 36 far 0 64 0 - 7.5-16.9 HA ALA 108 - HE2 LYS 31 far 0 99 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 99 0 - 7.5-31.5 HA ALA 28 - HE2 LYS 24 far 0 64 0 - 7.6-14.9 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 69 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 99 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 99 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 73 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 84 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 99 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 95 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 97 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 99 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 99 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 92 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 98 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 99 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 88 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 58 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 97 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 73 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 99 0 - 8.9-40.0 HA ALA 28 - HE3 LYS 19 far 0 65 0 - 8.9-24.7 HA LYS 19 - HE3 LYS 26 far 0 98 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 92 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 97 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 98 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 95 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 92 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 95 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 95 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 99 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 87 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 94 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 98 0 - 9.6-27.2 HA ALA 28 - HE2 LYS 19 far 0 65 0 - 9.7-25.6 HA LYS 19 - HE2 LYS 36 far 0 99 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 99 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 97 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 97 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 92 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 94 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 98 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 88 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 316 from aliabs.peaks (1.74, 2.95, 41.80 ppm; 5.38 A): 18 out of 60 assignments used, quality = 1.00: HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 * HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.6-5.5 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 94 94 100 100 3.1-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 63 70 90 100 2.3-7.3 ~11243=72, 9713/3.7=64...(24) HB2 LYS 31 + HE2 LYS 26 OK 52 100 55 95 3.2-17.5 639/3.6=8, 628/3.6=8...(148) HG3 ARG 90 + HE3 LYS 86 OK 51 71 75 96 4.2-9.7 11303/9660=71...(8) HB2 LYS 31 + HE3 LYS 26 OK 47 98 50 95 3.4-17.3 639/3.6=8, 628/3.6=8...(135) HB2 LYS 19 + HE3 LYS 24 OK 34 94 40 92 5.3-18.0 823/4.0=5, 1.8/2634=4...(120) HB2 ARG 23 + HE2 LYS 26 OK 33 97 55 61 3.9-14.3 3.0/11618=10, ~11618=6...(37) HB2 LYS 26 + HE3 LYS 31 OK 30 100 35 86 4.2-12.2 834/3.7=7, 823/3.7=7...(101) HB2 LYS 19 + HE2 LYS 24 OK 28 100 30 92 4.1-17.5 823/4.0=5, 1.8/2634=5...(131) HB2 ARG 23 + HE3 LYS 26 OK 26 95 45 61 3.3-14.8 ~11618=8, 3.0/11618=7...(38) HB2 LYS 26 + HE2 LYS 31 OK 26 100 30 86 4.4-12.8 834/3.7=7, 823/3.7=7...(102) HB2 LYS 31 - HE2 LYS 36 poor 20 99 20 - 3.5-12.9 HB2 LYS 31 - HE3 LYS 36 poor 20 99 20 - 4.9-12.6 HB2 LYS 26 - HE2 LYS 36 poor 20 99 20 - 3.3-22.3 HB2 LYS 26 - HE3 LYS 36 poor 20 99 20 - 4.9-22.7 HB2 LYS 24 - HE3 LYS 26 poor 20 98 20 - 5.3-12.3 HB2 LYS 24 - HE2 LYS 19 poor 19 100 30 62 3.8-18.2 613=2, 305/2.9=2...(29) HB2 LYS 24 - HE3 LYS 19 poor 16 100 30 54 4.9-17.5 2.9/1025=2, 305/2.9=2...(21) HB2 ARG 23 - HE2 LYS 24 far 15 97 15 - 6.2-11.2 HB2 ARG 23 - HE3 LYS 24 far 13 90 15 - 5.8-11.2 HB2 LYS 26 - HE2 LYS 24 far 10 100 10 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 10 100 10 - 4.9-20.2 HB2 LYS 19 - HE2 LYS 31 far 10 100 10 - 5.2-25.0 HB2 LYS 19 - HE3 LYS 31 far 10 100 10 - 5.9-25.9 HB2 ARG 23 - HE2 LYS 36 far 10 97 10 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 36 far 10 97 10 - 4.0-24.1 HB2 LYS 24 - HE2 LYS 36 far 5 99 5 - 1.9-26.5 HB2 LYS 24 - HE3 LYS 36 far 5 99 5 - 3.6-27.4 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 6.7-18.7 HB2 LYS 19 - HE2 LYS 26 far 5 100 5 - 6.8-24.3 HB2 ARG 23 - HE3 LYS 31 far 5 97 5 - 5.7-20.0 HB2 LYS 26 - HE3 LYS 24 far 5 94 5 - 4.4-13.6 HB2 LYS 31 - HE3 LYS 24 far 5 94 5 - 5.8-20.7 HB2 LYS 24 - HE2 LYS 26 lone 4 100 30 14 5.6-12.3 11151/9587=4, 834/3.6=2 HB2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.9-18.8 HB2 ARG 23 - HE2 LYS 31 far 0 97 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.1-27.9 HB3 LEU 70 - HE2 LYS 36 far 0 58 0 - 7.2-17.1 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 98 0 - 7.5-16.1 HB3 LEU 70 - HE3 LYS 36 far 0 58 0 - 7.6-17.6 HB2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.2-24.9 HB2 LYS 19 - HE3 LYS 36 far 0 99 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.9-15.9 HB3 LEU 70 - HE2 LYS 31 far 0 59 0 - 8.9-21.5 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.9-16.3 HB3 LEU 70 - HE3 LYS 31 far 0 59 0 - 9.1-20.8 HG13 ILE 129 - HE3 LYS 86 far 0 73 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 83 0 - 9.7-15.5 HG LEU 100 - HE3 LYS 31 far 0 56 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 75 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 317 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.42 A): 27 out of 85 assignments used, quality = 1.00: * HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.0-5.2 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.0-5.0 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.1 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.3-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.5 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.3-4.7 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.0-5.4 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.8-5.3 5.1=100 HB ILE 32 + HE2 LYS 36 OK 84 99 85 100 3.4-7.6 10833/3.0=26, ~10837=25...(57) HB ILE 32 + HE3 LYS 36 OK 74 99 75 100 2.0-7.9 2.1/10766=27...(56) HB2 LYS 86 + HE3 LYS 86 OK 64 64 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 26 OK 56 99 60 93 4.8-19.8 2.1/10840=15, 10825=13...(61) HB ILE 32 + HE2 LYS 31 OK 55 99 60 92 4.3-9.5 10825=13, 3.2/10804=12...(60) HB ILE 32 + HE3 LYS 26 OK 54 98 60 93 4.6-19.4 2.1/10721=14, 10825=13...(61) HB3 LYS 31 + HE2 LYS 26 OK 52 99 55 96 2.2-19.2 629/3.6=8, 273/3.6=6...(134) HB3 LYS 31 + HE3 LYS 26 OK 42 97 45 95 3.3-19.0 629/3.6=8, 273/3.6=6...(120) HB ILE 32 + HE3 LYS 31 OK 41 99 45 93 4.6-10.3 10825/1.8=11...(60) HB3 LYS 19 + HE3 LYS 24 OK 38 94 45 90 3.9-16.9 2634=5, 2634/1.8=4...(120) HB2 LYS 36 + HE3 LYS 26 OK 33 94 45 77 2.6-28.9 1.8/1003=12, ~1004=9...(27) HB3 LYS 19 + HE2 LYS 24 OK 32 100 35 91 2.6-16.3 2634=5, 2634/1.8=4...(117) HB3 ARG 23 + HE2 LYS 26 OK 30 96 50 61 3.0-13.9 3.0/11618=10, ~11618=6...(41) HB3 ARG 23 + HE3 LYS 26 OK 28 93 50 61 2.6-15.2 ~11618=8, 3.0/11618=7...(43) HB2 LYS 36 + HE2 LYS 26 OK 28 97 35 82 2.4-29.4 1.8/1004=11, ~1004=9...(36) HB3 LYS 26 + HE3 LYS 31 OK 26 98 30 87 4.4-13.0 824/3.7=6, 835/3.7=6...(95) HB3 LYS 26 + HE2 LYS 31 OK 26 98 30 87 3.9-12.8 824/3.7=6, 835/3.7=6...(97) HB3 LYS 24 - HE2 LYS 19 poor 20 99 20 - 3.5-17.2 HB3 LYS 26 - HE2 LYS 36 poor 19 97 20 - 4.2-22.7 HB3 LYS 24 - HE3 LYS 26 poor 19 96 20 - 4.8-12.9 HB3 LYS 24 - HE3 LYS 19 poor 15 99 25 62 4.6-17.1 2.9/1025=2, 240/6.4=1...(40) HB3 LYS 31 - HE3 LYS 36 far 15 99 15 - 4.9-14.1 HB3 LYS 31 - HE2 LYS 36 far 15 99 15 - 5.3-14.3 HB2 LYS 36 - HE3 LYS 31 far 14 97 15 - 5.6-14.2 HB2 LYS 36 - HE2 LYS 31 far 14 97 15 - 6.2-12.8 HB3 LYS 31 - HE2 LYS 24 far 10 99 10 - 6.0-19.3 HB3 ARG 23 - HE3 LYS 31 far 10 96 10 - 5.4-20.0 HB3 ARG 23 - HE2 LYS 36 far 10 95 10 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 36 far 10 95 10 - 4.4-24.0 HB2 LEU 48 - HE3 LYS 36 far 6 61 10 - 4.9-16.7 HB3 LYS 19 - HE2 LYS 26 far 5 100 5 - 6.1-23.7 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.5-26.1 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB3 LYS 24 - HE2 LYS 36 far 5 98 5 - 3.5-25.9 HB3 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.2-13.2 HB3 LYS 24 - HE3 LYS 36 far 5 98 5 - 5.2-26.7 HB2 LYS 36 - HE2 LYS 24 far 5 97 5 - 6.1-29.9 HB3 ARG 23 - HE2 LYS 31 far 5 96 5 - 6.3-18.9 HB3 LYS 31 - HE3 LYS 24 far 5 93 5 - 6.7-20.0 HB3 LYS 26 - HE3 LYS 24 far 5 91 5 - 6.0-13.6 HB3 LYS 26 - HE3 LYS 36 lone 4 97 25 18 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LYS 24 - HE2 LYS 26 lone 4 98 35 10 5.5-13.1 985/9587=1 HB3 LEU 98 - HE2 LYS 24 far 4 72 5 - 6.6-34.7 HB3 LEU 98 - HE3 LYS 24 far 3 64 5 - 6.5-36.2 HB2 LEU 48 - HE2 LYS 26 far 3 62 5 - 4.7-30.3 HB2 LEU 48 - HE2 LYS 24 far 3 62 5 - 5.9-30.0 HB2 LEU 48 - HE3 LYS 31 far 3 62 5 - 6.7-25.2 HB2 LEU 48 - HE2 LYS 36 far 3 61 5 - 6.5-15.4 HB2 LEU 48 - HE3 LYS 26 far 3 59 5 - 5.2-30.6 HB2 LEU 48 - HE3 LYS 24 far 3 54 5 - 4.9-28.4 HB2 CYS 79 - HE3 LYS 86 far 2 48 5 - 6.5-10.0 HB3 ARG 23 - HE3 LYS 24 far 0 88 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 96 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 99 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 89 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 98 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 52 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 8.2-16.9 HB2 LEU 48 - HE2 LYS 31 far 0 62 0 - 8.3-23.9 HB ILE 32 - HE3 LYS 24 far 0 93 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 89 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-23.7 HB2 LEU 48 - HE3 LYS 19 far 0 63 0 - 8.9-37.7 HB3 LEU 122 - HE3 LYS 24 far 0 79 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 67 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 92 0 - 9.8-24.8 HB2 LEU 48 - HE2 LYS 19 far 0 63 0 - 9.9-36.4 Violated in 0 structures by 0.00 A. Peak 318 from aliabs.peaks (1.37, 2.95, 41.80 ppm; 4.27 A): 10 out of 135 assignments used, quality = 1.00: HG2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-2.8 3.8=100 * HG2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.2 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.0-3.9 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.6-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.1-4.1 3.6=100 HG2 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.1-4.2 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 91 91 100 100 2.0-4.2 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 91 91 100 100 2.4-4.2 3.7=100 HG2 LYS 19 - HE2 LYS 24 poor 20 100 20 - 2.9-18.6 QB ALA 29 - HE2 LYS 31 poor 20 98 20 - 4.3-10.0 QB ALA 29 - HE2 LYS 36 poor 19 97 20 - 5.2-11.0 QB ALA 21 - HE3 LYS 24 poor 19 64 30 - 3.2-11.7 HG2 LYS 19 - HE3 LYS 24 poor 19 94 20 - 3.9-19.3 QB ALA 28 - HE3 LYS 31 poor 18 92 20 - 4.1-9.8 HG3 LYS 31 - HE2 LYS 26 poor 18 91 20 - 4.3-18.5 HG3 LYS 31 - HE2 LYS 36 poor 18 90 20 - 4.3-14.3 QB ALA 28 - HE3 LYS 24 poor 17 84 20 - 5.3-13.7 HG2 LYS 24 - HE2 LYS 19 far 15 99 15 - 4.3-16.8 QB ALA 29 - HE2 LYS 26 far 15 98 15 - 4.1-12.1 QB ALA 29 - HE3 LYS 36 far 15 97 15 - 5.3-11.4 QB ALA 15 - HE2 LYS 19 far 14 97 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 14 97 15 - 2.1-13.2 QB ALA 21 - HE2 LYS 24 poor 14 72 20 - 3.6-10.6 QB ALA 15 - HE2 LYS 31 far 14 96 15 - 3.9-23.1 QB ALA 15 - HE3 LYS 31 far 14 96 15 - 4.6-22.3 HG3 LYS 26 - HE2 LYS 31 far 14 96 15 - 5.0-15.0 QB ALA 29 - HE3 LYS 26 far 14 96 15 - 4.0-12.1 HG3 LYS 26 - HE3 LYS 36 far 14 95 15 - 4.4-24.9 HG2 LYS 36 - HE3 LYS 26 far 14 94 15 - 5.1-26.6 HG3 LYS 31 - HE3 LYS 36 far 14 90 15 - 4.5-14.3 HG3 LYS 31 - HE3 LYS 26 far 13 88 15 - 4.8-18.3 QB ALA 16 - HE3 LYS 19 far 12 81 15 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 12 81 15 - 4.4-10.6 HG2 LYS 24 - HE3 LYS 19 far 10 99 10 - 3.6-18.0 HB2 LEU 42 - HE3 LYS 36 far 10 99 10 - 5.0-13.1 QB ALA 29 - HE3 LYS 31 far 10 98 10 - 4.8-10.3 HG2 LYS 36 - HE2 LYS 26 far 10 97 10 - 5.0-27.0 HG3 LYS 26 - HE2 LYS 36 far 10 95 10 - 4.6-24.5 QB ALA 28 - HE2 LYS 24 far 9 92 10 - 4.5-13.8 HG2 LYS 24 - HE2 LYS 36 far 5 98 5 - 4.2-26.3 HG2 LYS 24 - HE3 LYS 36 far 5 98 5 - 5.7-27.3 QB ALA 29 - HE2 LYS 24 far 5 98 5 - 5.6-13.5 QB ALA 28 - HE2 LYS 31 poor 5 92 25 21 4.7-10.1 ~10771=14, 6334/7.1=4 HG2 LYS 24 - HE3 LYS 26 far 5 97 5 - 5.4-12.1 HG2 LYS 36 - HE3 LYS 31 far 5 97 5 - 5.1-14.9 HG2 LYS 36 - HE2 LYS 31 far 5 97 5 - 5.3-13.7 QB ALA 15 - HE2 LYS 24 far 5 96 5 - 2.0-19.1 HG3 LYS 26 - HE2 LYS 24 far 5 96 5 - 5.0-12.3 QB ALA 110 - HE2 LYS 26 far 5 95 5 - 4.9-30.1 QB ALA 28 - HE3 LYS 19 far 5 93 5 - 5.7-22.4 QB ALA 110 - HE3 LYS 26 far 5 92 5 - 4.0-28.9 HG3 LYS 31 - HE2 LYS 24 far 5 91 5 - 4.1-18.0 HG3 LYS 95 - HE2 LYS 24 far 5 91 5 - 5.2-35.1 QB ALA 28 - HE3 LYS 26 far 4 89 5 - 5.4-9.7 QB ALA 109 - HE3 LYS 19 far 4 89 5 - 4.7-41.8 QB ALA 109 - HE2 LYS 19 far 4 89 5 - 5.1-43.2 QB ALA 15 - HE3 LYS 24 far 4 88 5 - 2.0-19.1 QB ALA 12 - HE3 LYS 24 far 4 88 5 - 5.0-19.7 HG3 LYS 26 - HE3 LYS 24 far 4 88 5 - 5.5-12.7 HG2 LYS 95 - HE2 LYS 24 far 4 86 5 - 5.7-34.8 QB ALA 109 - HE3 LYS 26 far 4 84 5 - 5.3-26.1 HG3 LYS 95 - HE3 LYS 24 far 4 82 5 - 4.2-36.6 HG3 LYS 31 - HE3 LYS 24 far 4 82 5 - 5.2-18.7 QB ALA 16 - HE2 LYS 24 far 4 80 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 4 80 5 - 5.0-24.1 QB ALA 16 - HE3 LYS 36 far 4 79 5 - 5.5-25.6 HG2 LYS 95 - HE3 LYS 24 far 4 77 5 - 4.3-36.3 QB ALA 21 - HE3 LYS 19 far 4 73 5 - 5.2-9.3 QB ALA 16 - HE3 LYS 24 far 4 71 5 - 4.4-18.8 QB ALA 12 - HE2 LYS 19 lone 0 97 30 2 4.2-15.0 QB ALA 12 - HE3 LYS 19 lone 0 97 25 2 4.2-15.1 HG3 LYS 26 - HE3 LYS 31 far 0 96 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 80 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 95 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 92 0 - 5.9-10.2 QB ALA 21 - HE3 LYS 36 far 0 71 0 - 6.0-25.4 QB ALA 108 - HE2 LYS 24 far 0 97 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 96 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.0-12.2 QB ALA 21 - HE3 LYS 31 far 0 72 0 - 6.2-19.6 QB ALA 12 - HE2 LYS 24 far 0 96 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 90 0 - 6.2-33.6 QB ALA 21 - HE2 LYS 19 far 0 73 0 - 6.2-9.5 QB ALA 29 - HE3 LYS 24 far 0 91 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 92 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 97 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 92 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 88 0 - 6.6-27.0 QB ALA 21 - HE2 LYS 36 far 0 71 0 - 6.7-24.7 HG3 LYS 31 - HE2 LYS 19 far 0 92 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 99 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 79 0 - 6.8-25.2 QB ALA 21 - HE2 LYS 31 far 0 72 0 - 6.8-19.4 QB ALA 28 - HE2 LYS 19 far 0 93 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 97 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 92 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 98 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 96 0 - 7.1-22.7 QB ALA 21 - HE2 LYS 26 far 0 72 0 - 7.1-15.9 QB ALA 108 - HE2 LYS 19 far 0 98 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 97 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 95 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 88 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 99 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 95 0 - 7.5-24.9 QB ALA 21 - HE3 LYS 26 far 0 69 0 - 7.8-15.0 HG2 LYS 36 - HE3 LYS 24 far 0 89 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 96 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 99 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 99 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 100 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 79 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 93 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 96 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 97 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 88 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 96 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 100 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 97 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 95 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 99 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 88 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 98 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 95 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 95 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 76 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 80 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 95 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 319 from aliabs.peaks (1.44, 2.95, 41.80 ppm; 4.67 A): 17 out of 67 assignments used, quality = 1.00: * HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HG2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-3.9 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.0-3.9 4.0=100 HG2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.0-4.0 3.6=100 HG3 LYS 24 + HE3 LYS 24 OK 89 89 100 100 2.2-4.2 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 84 84 100 100 2.1-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 84 84 100 100 2.3-4.1 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 79 79 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 79 79 100 100 2.2-3.5 4.0=100 HG13 ILE 32 + HE3 LYS 36 OK 56 97 60 97 3.2-9.5 3.2/10766=22...(65) HG13 ILE 32 + HE2 LYS 36 OK 52 97 55 97 2.8-9.0 3.2/10766=19, ~10767=18...(65) HG2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 2.0-2.9 3.7=100 HG13 ILE 32 + HE2 LYS 31 OK 44 97 55 82 2.3-9.1 10757/6.5=13...(26) HG13 ILE 32 + HE3 LYS 26 OK 44 95 55 84 2.0-17.3 3.2/10766=11, ~10767=11...(43) HG13 ILE 32 + HE2 LYS 26 OK 37 97 45 84 2.1-17.7 2.1/9008=11...(43) HG13 ILE 32 + HE3 LYS 31 OK 32 97 40 83 2.0-9.6 10757/6.5=13...(46) HG3 LYS 19 - HE2 LYS 24 poor 20 100 20 - 3.4-18.5 HG2 LYS 26 - HE2 LYS 31 poor 20 98 20 - 5.4-15.0 HG3 LYS 36 - HE2 LYS 26 poor 20 80 35 70 4.5-27.4 3.0/1004=7, ~1004=6...(24) HG3 LYS 19 - HE3 LYS 24 poor 19 94 20 - 4.8-19.1 HG2 LYS 31 - HE2 LYS 26 poor 17 84 20 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 poor 16 81 20 - 5.3-19.4 HG3 LYS 36 - HE3 LYS 26 poor 16 76 30 68 4.4-26.9 3.0/1003=8, ~1004=6...(19) HG3 LYS 24 - HE2 LYS 19 poor 14 97 25 58 3.7-17.8 525/5.1=3, 526/5.1=2...(9) HG3 LYS 24 - HE3 LYS 19 poor 14 97 25 57 4.5-18.1 525/5.1=3, 526/5.1=2...(9) HG2 LYS 31 - HE2 LYS 36 far 12 83 15 - 4.9-14.4 QB ALA 34 - HE2 LYS 26 far 11 75 15 - 5.7-20.7 QB ALA 34 - HE2 LYS 36 far 11 74 15 - 5.1-8.4 HG2 LYS 31 - HE3 LYS 36 far 8 83 10 - 5.4-14.2 HG3 LYS 36 - HE2 LYS 31 far 8 80 10 - 4.4-14.3 QB ALA 34 - HE3 LYS 36 far 7 74 10 - 5.3-9.2 HG2 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.0-14.4 HG3 LYS 24 - HE2 LYS 36 far 5 96 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 5 96 5 - 4.8-25.5 HG2 LYS 26 - HE3 LYS 24 far 5 92 5 - 6.0-13.5 HG2 LYS 26 - HE2 LYS 36 lone 4 98 30 15 4.1-24.5 908/10766=1 HG2 LYS 31 - HE2 LYS 24 far 4 84 5 - 3.3-18.4 HG3 LYS 36 - HE3 LYS 31 far 4 80 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 4 80 5 - 4.6-28.4 HG2 LYS 31 - HE3 LYS 24 far 4 75 5 - 4.0-19.0 QB ALA 34 - HE3 LYS 26 far 4 72 5 - 6.1-21.1 QB ALA 34 - HE3 LYS 24 far 3 66 5 - 6.1-23.8 HG2 LYS 26 - HE3 LYS 36 lone 3 98 25 12 3.8-24.9 908/10766=2 HG3 LYS 36 - HE3 LYS 24 far 0 71 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 94 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 75 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 97 0 - 6.7-12.9 QB ALA 34 - HE2 LYS 31 far 0 75 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 75 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 85 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 97 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 85 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 97 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 98 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 70 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 90 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 81 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 91 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 320 from aliabs.peaks (1.65, 2.95, 41.80 ppm; 4.10 A): 22 out of 127 assignments used, quality = 1.00: * HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 95 95 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.6-3.0 3.0=100 HD3 LYS 24 - HE3 LYS 19 poor 20 100 20 - 3.7-17.8 HD2 LYS 26 - HE3 LYS 36 poor 19 97 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 19 94 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 19 94 20 - 3.8-24.9 HD3 LYS 36 - HE3 LYS 26 poor 19 93 20 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 26 poor 18 92 20 - 2.5-24.7 HD2 LYS 26 - HE2 LYS 36 far 15 97 15 - 1.9-25.5 HD2 LYS 24 - HE3 LYS 19 far 14 97 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 14 97 15 - 5.2-19.0 HD3 LYS 36 - HE2 LYS 26 far 14 96 15 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 26 far 14 95 15 - 3.3-25.2 HD2 LYS 19 - HE2 LYS 24 poor 10 100 35 29 2.6-17.0 3.9/2634=2, 5.2/11770=2...(4) HD2 LYS 31 - HE2 LYS 36 far 10 99 10 - 4.6-13.1 HD3 LYS 36 - HE2 LYS 31 far 10 96 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 9 95 10 - 3.1-14.2 HD2 LYS 36 - HE3 LYS 31 far 9 95 10 - 3.6-14.4 HD3 LYS 26 - HE2 LYS 31 far 9 95 10 - 4.2-14.6 HD3 LYS 26 - HE3 LYS 31 far 9 95 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 9 94 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 9 100 25 35 4.2-18.5 2632/5.1=2, 307/3.8=1...(4) HD3 LYS 19 - HE2 LYS 24 poor 9 100 30 29 2.7-18.2 3.9/2634=2, 5.2/11770=2...(4) HG LEU 22 - HE3 LYS 24 far 8 52 15 - 4.4-11.5 HD3 LYS 19 - HE3 LYS 24 poor 7 94 25 30 2.2-19.0 3.9/2634=2, 5.2/11770=2...(4) HG LEU 22 - HE3 LYS 19 far 6 60 10 - 5.3-13.7 HD3 LYS 31 - HE2 LYS 26 far 5 98 5 - 4.6-18.1 HD3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.7-18.8 HD2 LYS 26 - HE2 LYS 31 far 5 97 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.3-12.0 HD2 LYS 26 - HE3 LYS 31 far 5 97 5 - 4.9-15.3 HD3 LYS 31 - HE3 LYS 36 far 5 97 5 - 5.3-12.3 HD2 LYS 31 - HE3 LYS 26 far 5 97 5 - 5.2-17.8 HD3 LYS 31 - HE3 LYS 26 far 5 96 5 - 3.6-17.7 HD3 LYS 36 - HE3 LYS 31 far 5 96 5 - 4.8-13.8 HD2 LYS 24 - HE2 LYS 36 far 5 95 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 24 far 5 91 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 4 90 5 - 5.3-36.2 HG LEU 22 - HE2 LYS 19 far 3 60 5 - 5.2-13.8 HG LEU 22 - HE2 LYS 24 far 3 59 5 - 4.9-11.8 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.7-13.3 HG LEU 22 - HE2 LYS 26 far 0 59 0 - 5.8-17.0 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 93 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 93 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 97 0 - 6.6-34.7 HG LEU 22 - HE3 LYS 26 far 0 56 0 - 6.6-17.1 HB2 LEU 98 - HE2 LYS 24 far 0 99 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 93 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 95 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 93 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 98 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 96 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 64 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 95 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 96 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 99 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 64 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 87 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 90 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 87 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 98 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 52 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 100 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 88 0 - 8.4-26.0 HG LEU 22 - HE3 LYS 31 far 0 59 0 - 8.5-23.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 58 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 99 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.2-34.1 HG LEU 22 - HE2 LYS 31 far 0 59 0 - 9.2-22.5 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 100 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 100 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 96 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 98 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 59 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 58 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 98 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 96 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 321 from aliabs.peaks (1.65, 2.95, 41.80 ppm; 4.09 A): 22 out of 133 assignments used, quality = 1.00: * HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.6-3.0 3.0=100 HD3 LYS 24 - HE3 LYS 19 poor 20 100 20 - 3.7-17.8 HD2 LYS 26 - HE3 LYS 36 poor 19 95 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 18 92 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 18 92 20 - 3.8-24.9 HD3 LYS 36 - HE3 LYS 26 poor 18 91 20 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 26 poor 18 89 20 - 2.5-24.7 HD2 LYS 26 - HE2 LYS 36 far 14 95 15 - 1.9-25.5 HD2 LYS 24 - HE3 LYS 19 far 14 95 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 14 95 15 - 5.2-19.0 HD3 LYS 36 - HE2 LYS 26 far 14 94 15 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 26 far 14 92 15 - 3.3-25.2 HG3 ARG 23 - HE2 LYS 26 poor 12 62 20 - 3.4-15.6 HD2 LYS 19 - HE2 LYS 24 poor 10 100 35 29 2.6-17.0 3.9/2634=2, 5.2/11770=2...(4) HD2 LYS 31 - HE2 LYS 36 far 10 98 10 - 4.6-13.1 HD2 LYS 19 - HE3 LYS 24 far 9 94 10 - 2.9-18.4 HD3 LYS 36 - HE2 LYS 31 far 9 94 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 9 92 10 - 3.1-14.2 HD2 LYS 36 - HE3 LYS 31 far 9 92 10 - 3.6-14.4 HD3 LYS 26 - HE2 LYS 31 far 9 92 10 - 4.2-14.6 HD3 LYS 26 - HE3 LYS 31 far 9 92 10 - 4.6-14.9 HG3 ARG 23 - HE3 LYS 26 far 9 59 15 - 5.1-16.8 HD3 LYS 24 - HE2 LYS 19 poor 9 100 25 35 4.2-18.5 2632/5.1=2, 307/3.8=1...(4) HD3 LYS 19 - HE2 LYS 24 poor 9 100 30 28 2.7-18.2 3.9/2634=2, 5.2/11770=2...(4) HG LEU 22 - HE3 LYS 24 far 9 57 15 - 4.4-11.5 HD3 LYS 19 - HE3 LYS 24 poor 7 94 25 30 2.2-19.0 3.9/2634=2, 5.2/11770=2...(4) HG LEU 22 - HE3 LYS 19 far 7 65 10 - 5.3-13.7 HG3 ARG 23 - HE2 LYS 36 far 6 61 10 - 5.2-24.9 HD3 LYS 31 - HE2 LYS 26 far 5 97 5 - 4.6-18.1 HD3 LYS 31 - HE2 LYS 24 far 5 97 5 - 4.7-18.8 HD2 LYS 31 - HE3 LYS 26 far 5 96 5 - 5.2-17.8 HD3 LYS 31 - HE2 LYS 36 far 5 96 5 - 4.3-12.0 HD2 LYS 26 - HE2 LYS 31 far 5 96 5 - 3.3-15.6 HD3 LYS 31 - HE3 LYS 36 far 5 96 5 - 5.3-12.3 HD2 LYS 26 - HE3 LYS 31 far 5 96 5 - 4.9-15.3 HD3 LYS 31 - HE3 LYS 26 far 5 94 5 - 3.6-17.7 HD3 LYS 36 - HE3 LYS 31 far 5 94 5 - 4.8-13.8 HD2 LYS 24 - HE2 LYS 36 far 5 93 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 24 far 4 89 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 4 88 5 - 5.3-36.2 HG LEU 22 - HE2 LYS 19 far 3 65 5 - 5.2-13.8 HG LEU 22 - HE2 LYS 24 far 3 64 5 - 4.9-11.8 HG3 ARG 23 - HE3 LYS 31 far 3 62 5 - 5.1-21.5 HG3 ARG 23 - HE3 LYS 36 far 3 61 5 - 5.1-25.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 97 0 - 5.7-13.3 HG LEU 22 - HE2 LYS 26 far 0 64 0 - 5.8-17.0 HG3 ARG 23 - HE2 LYS 31 far 0 62 0 - 5.8-20.4 HG3 ARG 23 - HE3 LYS 19 far 0 63 0 - 5.8-14.9 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 92 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 92 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 92 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 96 0 - 6.6-34.7 HG LEU 22 - HE3 LYS 26 far 0 61 0 - 6.6-17.1 HB2 LEU 98 - HE2 LYS 24 far 0 100 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 94 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 94 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 96 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 93 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 91 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 94 0 - 7.0-26.2 HG3 ARG 23 - HE2 LYS 19 far 0 63 0 - 7.1-15.8 QB ALA 88 - HE3 LYS 86 far 0 61 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 92 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 99 0 - 7.4-26.2 HG3 ARG 23 - HE2 LYS 24 far 0 62 0 - 7.5-11.5 HG2 ARG 84 - HE3 LYS 86 far 0 67 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 99 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 84 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 88 0 - 7.6-12.5 HG3 ARG 23 - HE3 LYS 24 far 0 54 0 - 7.7-11.7 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 70 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 99 0 - 8.2-15.3 HB2 LEU 69 - HE3 LYS 31 far 0 100 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 85 0 - 8.4-26.0 HG LEU 22 - HE3 LYS 31 far 0 64 0 - 8.5-23.4 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 8.6-25.1 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 100 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.2-34.1 HG LEU 22 - HE2 LYS 31 far 0 64 0 - 9.2-22.5 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 100 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 100 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 93 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 99 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HB2 LEU 98 - HE3 LYS 26 far 0 98 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 97 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 322 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 * HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 90 90 - 100 HE3 LYS 86 + HE3 LYS 86 OK 73 73 - 100 Peak 323 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 90 90 - 100 HE3 LYS 86 + HE3 LYS 86 OK 73 73 - 100 Reference assignment not found: HE3 LYS 19 - HE2 LYS 19 Peak 326 from aliabs.peaks (4.27, 2.95, 41.80 ppm; 4.56 A): 15 out of 165 assignments used, quality = 1.00: HA LYS 19 + HE2 LYS 19 OK 93 100 100 93 3.2-5.7 6.4=37, 627/3.8=22...(34) * HA LYS 19 + HE3 LYS 19 OK 93 100 100 93 2.0-5.4 6.4=37, 627/3.8=22...(34) HA LYS 31 + HE2 LYS 31 OK 91 100 100 91 1.9-5.7 6.5=35, 822/3.7=23...(28) HA LYS 31 + HE3 LYS 31 OK 91 100 100 91 2.5-5.6 6.5=35, 822/3.7=23...(28) HA LYS 26 + HE3 LYS 26 OK 86 98 100 88 3.4-6.0 6.6=33, 627/3.6=24...(23) HA LYS 26 + HE2 LYS 26 OK 79 100 90 88 2.7-6.4 6.6=33, 627/3.6=24...(23) HA LYS 36 + HE3 LYS 36 OK 75 93 85 96 2.9-6.5 6.0=45, 3.0/1064=29...(24) HA LYS 36 + HE2 LYS 36 OK 62 93 70 95 3.9-6.2 6.0=45, 3.0/1064=28...(24) HA PHE 87 + HE3 LYS 86 OK 34 73 55 85 3.9-7.4 4.9/11332=31...(11) HA LYS 19 + HE2 LYS 24 OK 33 100 40 83 1.9-16.1 11770=5, 822/4.0=5...(48) HA LYS 19 + HE3 LYS 24 OK 30 94 40 80 2.9-16.7 11770=5, 822/4.0=5...(23) HA THR 25 + HE2 LYS 24 OK 28 84 40 84 2.0-8.6 9587=23, 11128/5.1=20...(16) HA THR 18 + HE3 LYS 19 OK 28 97 40 72 4.3-9.2 10686/3.8=43, 226/7.3=24...(8) HA THR 25 + HE2 LYS 26 OK 27 84 40 79 2.9-9.2 582/7.1=21, 11150/3.6=19...(13) HA THR 25 + HE3 LYS 26 OK 22 81 35 79 2.2-9.3 582/7.1=21, 11150/3.6=19...(13) HA LYS 26 - HE3 LYS 31 poor 20 100 20 - 4.4-13.1 HA LYS 26 - HE2 LYS 31 poor 20 100 20 - 5.0-12.6 HA LYS 31 - HE3 LYS 36 poor 20 99 20 - 4.8-12.9 HA LEU 22 - HE2 LYS 24 poor 20 99 20 - 3.0-11.0 HA ALA 15 - HE3 LYS 19 poor 20 99 20 - 2.0-14.9 HA ALA 21 - HE3 LYS 24 poor 19 64 30 - 2.0-13.7 HA THR 25 - HE3 LYS 24 poor 19 75 30 82 2.3-9.0 11128/5.1=20...(14) HA LEU 22 - HE3 LYS 24 poor 18 92 20 - 1.9-11.8 HA THR 18 - HE2 LYS 19 poor 17 97 25 72 2.7-8.8 10686/3.8=43, 226/7.3=24...(8) HA ARG 23 - HE2 LYS 26 poor 17 98 35 50 2.7-12.5 3.8/11618=7, 627/3.6=2...(8) HA ARG 23 - HE3 LYS 26 poor 17 96 35 50 2.0-13.5 3.8/11618=5, 627/3.6=2...(12) HA LYS 31 - HE2 LYS 26 far 15 100 15 - 5.0-18.9 HA ALA 15 - HE2 LYS 19 far 15 99 15 - 2.2-14.3 HA LYS 31 - HE3 LYS 26 far 15 98 15 - 5.3-18.9 HA GLN 27 - HE2 LYS 26 poor 14 72 20 - 3.2-8.6 HA ALA 12 - HE2 LYS 19 far 14 93 15 - 3.7-20.1 HA ALA 12 - HE3 LYS 19 far 14 93 15 - 4.5-19.2 HA ARG 23 - HE3 LYS 24 far 14 92 15 - 5.5-9.3 HA LYS 36 - HE3 LYS 26 far 14 91 15 - 3.5-29.4 HA THR 25 - HE3 LYS 31 far 13 84 15 - 2.8-14.8 HA ALA 21 - HE2 LYS 24 far 11 72 15 - 2.6-12.5 HA GLN 27 - HE3 LYS 36 far 11 71 15 - 3.3-19.2 HA GLN 27 - HE2 LYS 36 far 11 71 15 - 4.2-18.7 HA GLN 27 - HE3 LYS 26 poor 10 69 30 48 3.7-8.8 ~6267=14, ~6266=14...(12) HA LYS 26 - HE2 LYS 36 far 10 99 10 - 5.2-22.3 HA ARG 23 - HE2 LYS 36 far 10 98 10 - 5.7-25.3 HA THR 18 - HE2 LYS 24 far 10 97 10 - 4.8-17.4 HA LYS 36 - HE2 LYS 26 far 9 94 10 - 3.2-29.7 HA THR 25 - HE2 LYS 31 far 8 84 10 - 3.1-14.8 HA ALA 28 - HE3 LYS 26 far 6 61 10 - 5.4-11.4 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 5.1-27.7 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 5.6-27.5 HA ALA 16 - HE3 LYS 19 far 5 100 5 - 4.9-11.6 HA ALA 16 - HE2 LYS 19 far 5 100 5 - 5.1-12.4 HA LYS 31 - HE2 LYS 24 far 5 100 5 - 6.0-19.7 HA LYS 26 - HE2 LYS 24 far 5 100 5 - 5.6-11.4 HA LYS 31 - HE2 LYS 36 far 5 99 5 - 5.5-13.1 HA ALA 16 - HE3 LYS 31 far 5 99 5 - 5.0-28.0 HA ALA 16 - HE2 LYS 24 far 5 99 5 - 5.1-21.6 HA LEU 22 - HE2 LYS 26 far 5 99 5 - 4.0-14.7 HA ALA 109 - HE2 LYS 26 far 5 99 5 - 5.8-33.8 HA GLN 61 - HE2 LYS 26 far 5 98 5 - 2.5-26.5 HA ALA 15 - HE2 LYS 24 far 5 98 5 - 3.2-24.3 HA ARG 23 - HE2 LYS 31 far 5 98 5 - 6.0-17.4 HA ALA 15 - HE2 LYS 31 far 5 98 5 - 5.4-27.5 HA GLN 61 - HE2 LYS 24 far 5 98 5 - 5.8-25.5 HA ALA 15 - HE3 LYS 31 far 5 98 5 - 5.9-26.5 HA ALA 109 - HE3 LYS 26 far 5 97 5 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 5 97 5 - 4.9-30.3 HA LEU 22 - HE3 LYS 26 far 5 97 5 - 5.2-15.2 HA THR 18 - HE3 LYS 31 far 5 97 5 - 5.3-25.8 HA THR 18 - HE2 LYS 31 far 5 97 5 - 5.9-25.3 HA THR 18 - HE3 LYS 36 far 5 96 5 - 5.0-33.6 HA GLN 61 - HE3 LYS 26 far 5 96 5 - 3.6-26.6 HA ALA 16 - HE3 LYS 24 far 5 93 5 - 5.5-21.7 HA ALA 15 - HE3 LYS 24 far 5 91 5 - 2.7-24.2 HA ALA 110 - HE3 LYS 26 far 5 91 5 - 5.9-33.9 HA THR 18 - HE3 LYS 24 far 4 89 5 - 4.1-17.6 HA THR 25 - HE2 LYS 36 far 4 83 5 - 4.9-23.1 HA THR 25 - HE3 LYS 36 far 4 83 5 - 5.5-23.8 HA GLN 27 - HE3 LYS 31 far 4 72 5 - 5.0-12.1 HA ALA 28 - HE2 LYS 26 far 3 64 5 - 5.8-11.2 HA ARG 23 - HE3 LYS 36 far 0 98 0 - 6.1-25.9 HA ARG 23 - HE2 LYS 24 far 0 98 0 - 6.3-9.4 HA ALA 16 - HE3 LYS 36 far 0 99 0 - 6.3-32.1 HA ALA 28 - HE3 LYS 31 far 0 64 0 - 6.3-12.6 HA ALA 16 - HE2 LYS 31 far 0 99 0 - 6.3-27.2 HA GLN 61 - HE3 LYS 24 far 0 91 0 - 6.3-26.7 HA LYS 36 - HE2 LYS 24 far 0 94 0 - 6.4-29.6 HA GLN 61 - HE3 LYS 31 far 0 98 0 - 6.4-25.1 HA GLN 27 - HE3 LYS 24 far 0 64 0 - 6.5-14.9 HA ALA 28 - HE3 LYS 36 far 0 64 0 - 6.5-17.6 HA ALA 21 - HE3 LYS 36 far 0 71 0 - 6.5-28.1 HA THR 18 - HE2 LYS 36 far 0 96 0 - 6.5-32.9 HA ALA 109 - HE3 LYS 19 far 0 99 0 - 6.5-51.9 HA GLN 61 - HE2 LYS 31 far 0 98 0 - 6.6-24.3 HA ALA 108 - HE2 LYS 26 far 0 99 0 - 6.6-31.8 HA LYS 26 - HE3 LYS 24 far 0 94 0 - 6.6-11.5 HA ALA 28 - HE3 LYS 24 far 0 57 0 - 6.7-14.6 HA LYS 26 - HE3 LYS 36 far 0 99 0 - 6.7-22.7 HA GLN 27 - HE2 LYS 31 far 0 72 0 - 6.7-11.5 HA LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-26.4 HA ALA 28 - HE2 LYS 31 far 0 64 0 - 6.8-12.9 HA ALA 21 - HE2 LYS 26 far 0 72 0 - 6.8-17.6 HA ALA 108 - HE3 LYS 31 far 0 99 0 - 6.8-33.7 HA ARG 84 - HE3 LYS 86 far 0 44 0 - 7.1-8.5 HA ALA 108 - HE3 LYS 19 far 0 99 0 - 7.1-50.0 HA ARG 23 - HE3 LYS 31 far 0 98 0 - 7.1-18.5 HA LYS 36 - HE3 LYS 31 far 0 94 0 - 7.1-15.1 HA ALA 21 - HE2 LYS 36 far 0 71 0 - 7.2-27.3 HA GLN 27 - HE2 LYS 24 far 0 72 0 - 7.2-14.8 HA ALA 21 - HE3 LYS 31 far 0 72 0 - 7.2-21.7 HA LYS 31 - HE3 LYS 24 far 0 94 0 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 0 94 0 - 7.3-13.7 HA LYS 36 - HE3 LYS 24 far 0 85 0 - 7.3-29.3 HA LYS 19 - HE2 LYS 31 far 0 100 0 - 7.4-25.6 HA THR 25 - HE2 LYS 19 far 0 85 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 94 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 72 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 99 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 85 0 - 7.5-20.7 HA ALA 28 - HE2 LYS 36 far 0 64 0 - 7.5-16.9 HA ALA 108 - HE2 LYS 31 far 0 99 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 99 0 - 7.5-31.5 HA ALA 28 - HE2 LYS 24 far 0 64 0 - 7.6-14.9 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 69 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 99 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 99 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 73 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 84 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 99 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 95 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 97 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 99 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 99 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 92 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 98 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 99 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 88 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 58 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 97 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 73 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 99 0 - 8.9-40.0 HA ALA 28 - HE3 LYS 19 far 0 65 0 - 8.9-24.7 HA LYS 19 - HE3 LYS 26 far 0 98 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 92 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 97 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 98 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 95 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 92 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 95 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 95 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 99 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 87 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 94 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 98 0 - 9.6-27.2 HA ALA 28 - HE2 LYS 19 far 0 65 0 - 9.7-25.6 HA LYS 19 - HE2 LYS 36 far 0 99 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 99 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 97 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 97 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 92 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 94 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 98 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 88 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 327 from aliabs.peaks (1.74, 2.95, 41.80 ppm; 5.38 A): 18 out of 60 assignments used, quality = 1.00: * HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.6-5.5 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 94 94 100 100 3.1-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 63 70 90 100 2.3-7.3 ~11243=72, 9713/3.7=64...(24) HB2 LYS 31 + HE2 LYS 26 OK 52 100 55 95 3.2-17.5 639/3.6=8, 628/3.6=8...(148) HG3 ARG 90 + HE3 LYS 86 OK 51 71 75 96 4.2-9.7 11303/9660=71...(8) HB2 LYS 31 + HE3 LYS 26 OK 47 98 50 95 3.4-17.3 639/3.6=8, 628/3.6=8...(135) HB2 LYS 19 + HE3 LYS 24 OK 34 94 40 92 5.3-18.0 823/4.0=5, 1.8/2634=4...(120) HB2 ARG 23 + HE2 LYS 26 OK 33 97 55 61 3.9-14.3 3.0/11618=10, ~11618=6...(37) HB2 LYS 26 + HE3 LYS 31 OK 30 100 35 86 4.2-12.2 834/3.7=7, 823/3.7=7...(101) HB2 LYS 19 + HE2 LYS 24 OK 28 100 30 92 4.1-17.5 823/4.0=5, 1.8/2634=5...(131) HB2 ARG 23 + HE3 LYS 26 OK 26 95 45 61 3.3-14.8 ~11618=8, 3.0/11618=7...(38) HB2 LYS 26 + HE2 LYS 31 OK 26 100 30 86 4.4-12.8 834/3.7=7, 823/3.7=7...(102) HB2 LYS 31 - HE2 LYS 36 poor 20 99 20 - 3.5-12.9 HB2 LYS 31 - HE3 LYS 36 poor 20 99 20 - 4.9-12.6 HB2 LYS 26 - HE2 LYS 36 poor 20 99 20 - 3.3-22.3 HB2 LYS 26 - HE3 LYS 36 poor 20 99 20 - 4.9-22.7 HB2 LYS 24 - HE3 LYS 26 poor 20 98 20 - 5.3-12.3 HB2 LYS 24 - HE2 LYS 19 poor 19 100 30 62 3.8-18.2 613=2, 305/2.9=2...(29) HB2 LYS 24 - HE3 LYS 19 poor 16 100 30 54 4.9-17.5 2.9/1025=2, 305/2.9=2...(21) HB2 ARG 23 - HE2 LYS 24 far 15 97 15 - 6.2-11.2 HB2 ARG 23 - HE3 LYS 24 far 13 90 15 - 5.8-11.2 HB2 LYS 26 - HE2 LYS 24 far 10 100 10 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 10 100 10 - 4.9-20.2 HB2 LYS 19 - HE2 LYS 31 far 10 100 10 - 5.2-25.0 HB2 LYS 19 - HE3 LYS 31 far 10 100 10 - 5.9-25.9 HB2 ARG 23 - HE2 LYS 36 far 10 97 10 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 36 far 10 97 10 - 4.0-24.1 HB2 LYS 24 - HE2 LYS 36 far 5 99 5 - 1.9-26.5 HB2 LYS 24 - HE3 LYS 36 far 5 99 5 - 3.6-27.4 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 6.7-18.7 HB2 LYS 19 - HE2 LYS 26 far 5 100 5 - 6.8-24.3 HB2 ARG 23 - HE3 LYS 31 far 5 97 5 - 5.7-20.0 HB2 LYS 26 - HE3 LYS 24 far 5 94 5 - 4.4-13.6 HB2 LYS 31 - HE3 LYS 24 far 5 94 5 - 5.8-20.7 HB2 LYS 24 - HE2 LYS 26 lone 4 100 30 14 5.6-12.3 11151/9587=4, 834/3.6=2 HB2 LYS 24 - HE2 LYS 31 far 0 100 0 - 6.9-18.8 HB2 ARG 23 - HE2 LYS 31 far 0 97 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.1-27.9 HB3 LEU 70 - HE2 LYS 36 far 0 58 0 - 7.2-17.1 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 98 0 - 7.5-16.1 HB3 LEU 70 - HE3 LYS 36 far 0 58 0 - 7.6-17.6 HB2 LYS 19 - HE3 LYS 26 far 0 98 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.2-24.9 HB2 LYS 19 - HE3 LYS 36 far 0 99 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.9-15.9 HB3 LEU 70 - HE2 LYS 31 far 0 59 0 - 8.9-21.5 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.9-16.3 HB3 LEU 70 - HE3 LYS 31 far 0 59 0 - 9.1-20.8 HG13 ILE 129 - HE3 LYS 86 far 0 73 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 83 0 - 9.7-15.5 HG LEU 100 - HE3 LYS 31 far 0 56 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 75 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 328 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.42 A): 27 out of 85 assignments used, quality = 1.00: HB3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.1-4.9 5.1=100 * HB3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-4.8 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.0-5.2 4.8=100 HB3 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.0-5.0 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.1 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.3-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.5 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.3-4.7 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.0-5.4 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.8-5.3 5.1=100 HB ILE 32 + HE2 LYS 36 OK 84 99 85 100 3.4-7.6 10833/3.0=26, ~10837=25...(57) HB ILE 32 + HE3 LYS 36 OK 74 99 75 100 2.0-7.9 2.1/10766=27...(56) HB2 LYS 86 + HE3 LYS 86 OK 64 64 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 26 OK 56 99 60 93 4.8-19.8 2.1/10840=15, 10825=13...(61) HB ILE 32 + HE2 LYS 31 OK 55 99 60 92 4.3-9.5 10825=13, 3.2/10804=12...(60) HB ILE 32 + HE3 LYS 26 OK 54 98 60 93 4.6-19.4 2.1/10721=14, 10825=13...(61) HB3 LYS 31 + HE2 LYS 26 OK 52 99 55 96 2.2-19.2 629/3.6=8, 273/3.6=6...(134) HB3 LYS 31 + HE3 LYS 26 OK 42 97 45 95 3.3-19.0 629/3.6=8, 273/3.6=6...(120) HB ILE 32 + HE3 LYS 31 OK 41 99 45 93 4.6-10.3 10825/1.8=11...(60) HB3 LYS 19 + HE3 LYS 24 OK 38 94 45 90 3.9-16.9 2634=5, 2634/1.8=4...(120) HB2 LYS 36 + HE3 LYS 26 OK 33 94 45 77 2.6-28.9 1.8/1003=12, ~1004=9...(27) HB3 LYS 19 + HE2 LYS 24 OK 32 100 35 91 2.6-16.3 2634=5, 2634/1.8=4...(117) HB3 ARG 23 + HE2 LYS 26 OK 30 96 50 61 3.0-13.9 3.0/11618=10, ~11618=6...(41) HB3 ARG 23 + HE3 LYS 26 OK 28 93 50 61 2.6-15.2 ~11618=8, 3.0/11618=7...(43) HB2 LYS 36 + HE2 LYS 26 OK 28 97 35 82 2.4-29.4 1.8/1004=11, ~1004=9...(36) HB3 LYS 26 + HE3 LYS 31 OK 26 98 30 87 4.4-13.0 824/3.7=6, 835/3.7=6...(95) HB3 LYS 26 + HE2 LYS 31 OK 26 98 30 87 3.9-12.8 824/3.7=6, 835/3.7=6...(97) HB3 LYS 24 - HE2 LYS 19 poor 20 99 20 - 3.5-17.2 HB3 LYS 26 - HE2 LYS 36 poor 19 97 20 - 4.2-22.7 HB3 LYS 24 - HE3 LYS 26 poor 19 96 20 - 4.8-12.9 HB3 LYS 24 - HE3 LYS 19 poor 15 99 25 62 4.6-17.1 2.9/1025=2, 240/6.4=1...(40) HB3 LYS 31 - HE3 LYS 36 far 15 99 15 - 4.9-14.1 HB3 LYS 31 - HE2 LYS 36 far 15 99 15 - 5.3-14.3 HB2 LYS 36 - HE3 LYS 31 far 14 97 15 - 5.6-14.2 HB2 LYS 36 - HE2 LYS 31 far 14 97 15 - 6.2-12.8 HB3 LYS 31 - HE2 LYS 24 far 10 99 10 - 6.0-19.3 HB3 ARG 23 - HE3 LYS 31 far 10 96 10 - 5.4-20.0 HB3 ARG 23 - HE2 LYS 36 far 10 95 10 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 36 far 10 95 10 - 4.4-24.0 HB2 LEU 48 - HE3 LYS 36 far 6 61 10 - 4.9-16.7 HB3 LYS 19 - HE2 LYS 26 far 5 100 5 - 6.1-23.7 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.5-26.1 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB3 LYS 24 - HE2 LYS 36 far 5 98 5 - 3.5-25.9 HB3 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.2-13.2 HB3 LYS 24 - HE3 LYS 36 far 5 98 5 - 5.2-26.7 HB2 LYS 36 - HE2 LYS 24 far 5 97 5 - 6.1-29.9 HB3 ARG 23 - HE2 LYS 31 far 5 96 5 - 6.3-18.9 HB3 LYS 31 - HE3 LYS 24 far 5 93 5 - 6.7-20.0 HB3 LYS 26 - HE3 LYS 24 far 5 91 5 - 6.0-13.6 HB3 LYS 26 - HE3 LYS 36 lone 4 97 25 18 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LYS 24 - HE2 LYS 26 lone 4 98 35 10 5.5-13.1 985/9587=1 HB3 LEU 98 - HE2 LYS 24 far 4 72 5 - 6.6-34.7 HB3 LEU 98 - HE3 LYS 24 far 3 64 5 - 6.5-36.2 HB2 LEU 48 - HE2 LYS 26 far 3 62 5 - 4.7-30.3 HB2 LEU 48 - HE2 LYS 24 far 3 62 5 - 5.9-30.0 HB2 LEU 48 - HE3 LYS 31 far 3 62 5 - 6.7-25.2 HB2 LEU 48 - HE2 LYS 36 far 3 61 5 - 6.5-15.4 HB2 LEU 48 - HE3 LYS 26 far 3 59 5 - 5.2-30.6 HB2 LEU 48 - HE3 LYS 24 far 3 54 5 - 4.9-28.4 HB2 CYS 79 - HE3 LYS 86 far 2 48 5 - 6.5-10.0 HB3 ARG 23 - HE3 LYS 24 far 0 88 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 96 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 99 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 89 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 98 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 73 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 52 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 97 0 - 8.2-16.9 HB2 LEU 48 - HE2 LYS 31 far 0 62 0 - 8.3-23.9 HB ILE 32 - HE3 LYS 24 far 0 93 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 89 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-23.7 HB2 LEU 48 - HE3 LYS 19 far 0 63 0 - 8.9-37.7 HB3 LEU 122 - HE3 LYS 24 far 0 79 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 97 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 67 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 92 0 - 9.8-24.8 HB2 LEU 48 - HE2 LYS 19 far 0 63 0 - 9.9-36.4 Violated in 0 structures by 0.00 A. Peak 329 from aliabs.peaks (1.37, 2.95, 41.80 ppm; 4.27 A): 10 out of 135 assignments used, quality = 1.00: * HG2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-3.2 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.0-3.9 4.0=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.6-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.1-4.1 3.6=100 HG2 LYS 24 + HE3 LYS 24 OK 92 92 100 100 2.1-4.2 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 91 91 100 100 2.0-4.2 3.7=100 HG3 LYS 31 + HE2 LYS 31 OK 91 91 100 100 2.4-4.2 3.7=100 HG2 LYS 19 - HE2 LYS 24 poor 20 100 20 - 2.9-18.6 QB ALA 29 - HE2 LYS 31 poor 20 98 20 - 4.3-10.0 QB ALA 29 - HE2 LYS 36 poor 19 97 20 - 5.2-11.0 QB ALA 21 - HE3 LYS 24 poor 19 64 30 - 3.2-11.7 HG2 LYS 19 - HE3 LYS 24 poor 19 94 20 - 3.9-19.3 QB ALA 28 - HE3 LYS 31 poor 18 92 20 - 4.1-9.8 HG3 LYS 31 - HE2 LYS 26 poor 18 91 20 - 4.3-18.5 HG3 LYS 31 - HE2 LYS 36 poor 18 90 20 - 4.3-14.3 QB ALA 28 - HE3 LYS 24 poor 17 84 20 - 5.3-13.7 HG2 LYS 24 - HE2 LYS 19 far 15 99 15 - 4.3-16.8 QB ALA 29 - HE2 LYS 26 far 15 98 15 - 4.1-12.1 QB ALA 29 - HE3 LYS 36 far 15 97 15 - 5.3-11.4 QB ALA 15 - HE2 LYS 19 far 14 97 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 14 97 15 - 2.1-13.2 QB ALA 21 - HE2 LYS 24 poor 14 72 20 - 3.6-10.6 QB ALA 15 - HE2 LYS 31 far 14 96 15 - 3.9-23.1 QB ALA 15 - HE3 LYS 31 far 14 96 15 - 4.6-22.3 HG3 LYS 26 - HE2 LYS 31 far 14 96 15 - 5.0-15.0 QB ALA 29 - HE3 LYS 26 far 14 96 15 - 4.0-12.1 HG3 LYS 26 - HE3 LYS 36 far 14 95 15 - 4.4-24.9 HG2 LYS 36 - HE3 LYS 26 far 14 94 15 - 5.1-26.6 HG3 LYS 31 - HE3 LYS 36 far 14 90 15 - 4.5-14.3 HG3 LYS 31 - HE3 LYS 26 far 13 88 15 - 4.8-18.3 QB ALA 16 - HE3 LYS 19 far 12 81 15 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 12 81 15 - 4.4-10.6 HG2 LYS 24 - HE3 LYS 19 far 10 99 10 - 3.6-18.0 HB2 LEU 42 - HE3 LYS 36 far 10 99 10 - 5.0-13.1 QB ALA 29 - HE3 LYS 31 far 10 98 10 - 4.8-10.3 HG2 LYS 36 - HE2 LYS 26 far 10 97 10 - 5.0-27.0 HG3 LYS 26 - HE2 LYS 36 far 10 95 10 - 4.6-24.5 QB ALA 28 - HE2 LYS 24 far 9 92 10 - 4.5-13.8 HG2 LYS 24 - HE2 LYS 36 far 5 98 5 - 4.2-26.3 HG2 LYS 24 - HE3 LYS 36 far 5 98 5 - 5.7-27.3 QB ALA 29 - HE2 LYS 24 far 5 98 5 - 5.6-13.5 QB ALA 28 - HE2 LYS 31 poor 5 92 25 21 4.7-10.1 ~10771=14, 6334/7.1=4 HG2 LYS 24 - HE3 LYS 26 far 5 97 5 - 5.4-12.1 HG2 LYS 36 - HE3 LYS 31 far 5 97 5 - 5.1-14.9 HG2 LYS 36 - HE2 LYS 31 far 5 97 5 - 5.3-13.7 QB ALA 15 - HE2 LYS 24 far 5 96 5 - 2.0-19.1 HG3 LYS 26 - HE2 LYS 24 far 5 96 5 - 5.0-12.3 QB ALA 110 - HE2 LYS 26 far 5 95 5 - 4.9-30.1 QB ALA 28 - HE3 LYS 19 far 5 93 5 - 5.7-22.4 QB ALA 110 - HE3 LYS 26 far 5 92 5 - 4.0-28.9 HG3 LYS 31 - HE2 LYS 24 far 5 91 5 - 4.1-18.0 HG3 LYS 95 - HE2 LYS 24 far 5 91 5 - 5.2-35.1 QB ALA 28 - HE3 LYS 26 far 4 89 5 - 5.4-9.7 QB ALA 109 - HE3 LYS 19 far 4 89 5 - 4.7-41.8 QB ALA 109 - HE2 LYS 19 far 4 89 5 - 5.1-43.2 QB ALA 15 - HE3 LYS 24 far 4 88 5 - 2.0-19.1 QB ALA 12 - HE3 LYS 24 far 4 88 5 - 5.0-19.7 HG3 LYS 26 - HE3 LYS 24 far 4 88 5 - 5.5-12.7 HG2 LYS 95 - HE2 LYS 24 far 4 86 5 - 5.7-34.8 QB ALA 109 - HE3 LYS 26 far 4 84 5 - 5.3-26.1 HG3 LYS 95 - HE3 LYS 24 far 4 82 5 - 4.2-36.6 HG3 LYS 31 - HE3 LYS 24 far 4 82 5 - 5.2-18.7 QB ALA 16 - HE2 LYS 24 far 4 80 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 4 80 5 - 5.0-24.1 QB ALA 16 - HE3 LYS 36 far 4 79 5 - 5.5-25.6 HG2 LYS 95 - HE3 LYS 24 far 4 77 5 - 4.3-36.3 QB ALA 21 - HE3 LYS 19 far 4 73 5 - 5.2-9.3 QB ALA 16 - HE3 LYS 24 far 4 71 5 - 4.4-18.8 QB ALA 12 - HE2 LYS 19 lone 0 97 30 2 4.2-15.0 QB ALA 12 - HE3 LYS 19 lone 0 97 25 2 4.2-15.1 HG3 LYS 26 - HE3 LYS 31 far 0 96 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 80 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 95 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 92 0 - 5.9-10.2 QB ALA 21 - HE3 LYS 36 far 0 71 0 - 6.0-25.4 QB ALA 108 - HE2 LYS 24 far 0 97 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 96 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.0-12.2 QB ALA 21 - HE3 LYS 31 far 0 72 0 - 6.2-19.6 QB ALA 12 - HE2 LYS 24 far 0 96 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 90 0 - 6.2-33.6 QB ALA 21 - HE2 LYS 19 far 0 73 0 - 6.2-9.5 QB ALA 29 - HE3 LYS 24 far 0 91 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 92 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 97 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 100 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 92 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 88 0 - 6.6-27.0 QB ALA 21 - HE2 LYS 36 far 0 71 0 - 6.7-24.7 HG3 LYS 31 - HE2 LYS 19 far 0 92 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 99 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 79 0 - 6.8-25.2 QB ALA 21 - HE2 LYS 31 far 0 72 0 - 6.8-19.4 QB ALA 28 - HE2 LYS 19 far 0 93 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 97 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 92 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 98 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 96 0 - 7.1-22.7 QB ALA 21 - HE2 LYS 26 far 0 72 0 - 7.1-15.9 QB ALA 108 - HE2 LYS 19 far 0 98 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 97 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 95 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 88 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 99 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 95 0 - 7.5-24.9 QB ALA 21 - HE3 LYS 26 far 0 69 0 - 7.8-15.0 HG2 LYS 36 - HE3 LYS 24 far 0 89 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 96 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 99 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 99 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 100 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 79 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 93 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 96 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 97 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 88 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 96 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 100 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 97 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 95 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 99 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 88 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 98 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 95 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 95 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 76 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 80 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 95 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 330 from aliabs.peaks (1.44, 2.95, 41.80 ppm; 4.67 A): 17 out of 67 assignments used, quality = 1.00: HG3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.3-4.0 3.8=100 * HG3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.8 3.8=100 HG2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-3.9 3.6=100 HG3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.0-3.9 4.0=100 HG2 LYS 26 + HE3 LYS 26 OK 96 96 100 100 2.0-4.0 3.6=100 HG3 LYS 24 + HE3 LYS 24 OK 89 89 100 100 2.2-4.2 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 84 84 100 100 2.1-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 84 84 100 100 2.3-4.1 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 79 79 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 79 79 100 100 2.2-3.5 4.0=100 HG13 ILE 32 + HE3 LYS 36 OK 56 97 60 97 3.2-9.5 3.2/10766=22...(65) HG13 ILE 32 + HE2 LYS 36 OK 52 97 55 97 2.8-9.0 3.2/10766=19, ~10767=18...(65) HG2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 2.0-2.9 3.7=100 HG13 ILE 32 + HE2 LYS 31 OK 44 97 55 82 2.3-9.1 10757/6.5=13...(26) HG13 ILE 32 + HE3 LYS 26 OK 44 95 55 84 2.0-17.3 3.2/10766=11, ~10767=11...(43) HG13 ILE 32 + HE2 LYS 26 OK 37 97 45 84 2.1-17.7 2.1/9008=11...(43) HG13 ILE 32 + HE3 LYS 31 OK 32 97 40 83 2.0-9.6 10757/6.5=13...(46) HG3 LYS 19 - HE2 LYS 24 poor 20 100 20 - 3.4-18.5 HG2 LYS 26 - HE2 LYS 31 poor 20 98 20 - 5.4-15.0 HG3 LYS 36 - HE2 LYS 26 poor 20 80 35 70 4.5-27.4 3.0/1004=7, ~1004=6...(24) HG3 LYS 19 - HE3 LYS 24 poor 19 94 20 - 4.8-19.1 HG2 LYS 31 - HE2 LYS 26 poor 17 84 20 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 poor 16 81 20 - 5.3-19.4 HG3 LYS 36 - HE3 LYS 26 poor 16 76 30 68 4.4-26.9 3.0/1003=8, ~1004=6...(19) HG3 LYS 24 - HE2 LYS 19 poor 14 97 25 58 3.7-17.8 525/5.1=3, 526/5.1=2...(9) HG3 LYS 24 - HE3 LYS 19 poor 14 97 25 57 4.5-18.1 525/5.1=3, 526/5.1=2...(9) HG2 LYS 31 - HE2 LYS 36 far 12 83 15 - 4.9-14.4 QB ALA 34 - HE2 LYS 26 far 11 75 15 - 5.7-20.7 QB ALA 34 - HE2 LYS 36 far 11 74 15 - 5.1-8.4 HG2 LYS 31 - HE3 LYS 36 far 8 83 10 - 5.4-14.2 HG3 LYS 36 - HE2 LYS 31 far 8 80 10 - 4.4-14.3 QB ALA 34 - HE3 LYS 36 far 7 74 10 - 5.3-9.2 HG2 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 31 far 5 98 5 - 6.0-14.4 HG3 LYS 24 - HE2 LYS 36 far 5 96 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 5 96 5 - 4.8-25.5 HG2 LYS 26 - HE3 LYS 24 far 5 92 5 - 6.0-13.5 HG2 LYS 26 - HE2 LYS 36 lone 4 98 30 15 4.1-24.5 908/10766=1 HG2 LYS 31 - HE2 LYS 24 far 4 84 5 - 3.3-18.4 HG3 LYS 36 - HE3 LYS 31 far 4 80 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 4 80 5 - 4.6-28.4 HG2 LYS 31 - HE3 LYS 24 far 4 75 5 - 4.0-19.0 QB ALA 34 - HE3 LYS 26 far 4 72 5 - 6.1-21.1 QB ALA 34 - HE3 LYS 24 far 3 66 5 - 6.1-23.8 HG2 LYS 26 - HE3 LYS 36 lone 3 98 25 12 3.8-24.9 908/10766=2 HG3 LYS 36 - HE3 LYS 24 far 0 71 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 94 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 75 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 97 0 - 6.7-12.9 QB ALA 34 - HE2 LYS 31 far 0 75 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 75 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 85 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 100 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 97 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 85 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 100 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 97 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 98 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 70 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 90 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 81 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 91 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 331 from aliabs.peaks (1.65, 2.95, 41.80 ppm; 4.10 A): 22 out of 127 assignments used, quality = 1.00: HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 95 95 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.6-3.0 3.0=100 HD3 LYS 24 - HE3 LYS 19 poor 20 100 20 - 3.7-17.8 HD2 LYS 26 - HE3 LYS 36 poor 19 97 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 19 94 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 19 94 20 - 3.8-24.9 HD3 LYS 36 - HE3 LYS 26 poor 19 93 20 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 26 poor 18 92 20 - 2.5-24.7 HD2 LYS 26 - HE2 LYS 36 far 15 97 15 - 1.9-25.5 HD2 LYS 24 - HE3 LYS 19 far 14 97 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 14 97 15 - 5.2-19.0 HD3 LYS 36 - HE2 LYS 26 far 14 96 15 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 26 far 14 95 15 - 3.3-25.2 HD2 LYS 19 - HE2 LYS 24 poor 10 100 35 29 2.6-17.0 3.9/2634=2, 5.2/11770=2...(4) HD2 LYS 31 - HE2 LYS 36 far 10 99 10 - 4.6-13.1 HD3 LYS 36 - HE2 LYS 31 far 10 96 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 9 95 10 - 3.1-14.2 HD2 LYS 36 - HE3 LYS 31 far 9 95 10 - 3.6-14.4 HD3 LYS 26 - HE2 LYS 31 far 9 95 10 - 4.2-14.6 HD3 LYS 26 - HE3 LYS 31 far 9 95 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 9 94 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 9 100 25 35 4.2-18.5 2632/5.1=2, 307/3.8=1...(4) HD3 LYS 19 - HE2 LYS 24 poor 9 100 30 29 2.7-18.2 3.9/2634=2, 5.2/11770=2...(4) HG LEU 22 - HE3 LYS 24 far 8 52 15 - 4.4-11.5 HD3 LYS 19 - HE3 LYS 24 poor 7 94 25 30 2.2-19.0 3.9/2634=2, 5.2/11770=2...(4) HG LEU 22 - HE3 LYS 19 far 6 60 10 - 5.3-13.7 HD3 LYS 31 - HE2 LYS 26 far 5 98 5 - 4.6-18.1 HD3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.7-18.8 HD2 LYS 26 - HE2 LYS 31 far 5 97 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.3-12.0 HD2 LYS 26 - HE3 LYS 31 far 5 97 5 - 4.9-15.3 HD3 LYS 31 - HE3 LYS 36 far 5 97 5 - 5.3-12.3 HD2 LYS 31 - HE3 LYS 26 far 5 97 5 - 5.2-17.8 HD3 LYS 31 - HE3 LYS 26 far 5 96 5 - 3.6-17.7 HD3 LYS 36 - HE3 LYS 31 far 5 96 5 - 4.8-13.8 HD2 LYS 24 - HE2 LYS 36 far 5 95 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 24 far 5 91 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 4 90 5 - 5.3-36.2 HG LEU 22 - HE2 LYS 19 far 3 60 5 - 5.2-13.8 HG LEU 22 - HE2 LYS 24 far 3 59 5 - 4.9-11.8 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.7-13.3 HG LEU 22 - HE2 LYS 26 far 0 59 0 - 5.8-17.0 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 93 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 93 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 97 0 - 6.6-34.7 HG LEU 22 - HE3 LYS 26 far 0 56 0 - 6.6-17.1 HB2 LEU 98 - HE2 LYS 24 far 0 99 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 93 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 95 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 93 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 98 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 96 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 64 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 95 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 96 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 99 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 64 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 87 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 90 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 87 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 68 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 98 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 52 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 100 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 88 0 - 8.4-26.0 HG LEU 22 - HE3 LYS 31 far 0 59 0 - 8.5-23.4 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 58 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 99 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.2-34.1 HG LEU 22 - HE2 LYS 31 far 0 59 0 - 9.2-22.5 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 100 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 100 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 96 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 98 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 59 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 58 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 98 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 96 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 332 from aliabs.peaks (1.65, 2.95, 41.80 ppm; 4.09 A): 22 out of 133 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 92 92 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.6-3.0 3.0=100 HD3 LYS 24 - HE3 LYS 19 poor 20 100 20 - 3.7-17.8 HD2 LYS 26 - HE3 LYS 36 poor 19 95 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 18 92 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 18 92 20 - 3.8-24.9 HD3 LYS 36 - HE3 LYS 26 poor 18 91 20 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 26 poor 18 89 20 - 2.5-24.7 HD2 LYS 26 - HE2 LYS 36 far 14 95 15 - 1.9-25.5 HD2 LYS 24 - HE3 LYS 19 far 14 95 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 14 95 15 - 5.2-19.0 HD3 LYS 36 - HE2 LYS 26 far 14 94 15 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 26 far 14 92 15 - 3.3-25.2 HG3 ARG 23 - HE2 LYS 26 poor 12 62 20 - 3.4-15.6 HD2 LYS 19 - HE2 LYS 24 poor 10 100 35 29 2.6-17.0 3.9/2634=2, 5.2/11770=2...(4) HD2 LYS 31 - HE2 LYS 36 far 10 98 10 - 4.6-13.1 HD2 LYS 19 - HE3 LYS 24 far 9 94 10 - 2.9-18.4 HD3 LYS 36 - HE2 LYS 31 far 9 94 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 9 92 10 - 3.1-14.2 HD2 LYS 36 - HE3 LYS 31 far 9 92 10 - 3.6-14.4 HD3 LYS 26 - HE2 LYS 31 far 9 92 10 - 4.2-14.6 HD3 LYS 26 - HE3 LYS 31 far 9 92 10 - 4.6-14.9 HG3 ARG 23 - HE3 LYS 26 far 9 59 15 - 5.1-16.8 HD3 LYS 24 - HE2 LYS 19 poor 9 100 25 35 4.2-18.5 2632/5.1=2, 307/3.8=1...(4) HD3 LYS 19 - HE2 LYS 24 poor 9 100 30 28 2.7-18.2 3.9/2634=2, 5.2/11770=2...(4) HG LEU 22 - HE3 LYS 24 far 9 57 15 - 4.4-11.5 HD3 LYS 19 - HE3 LYS 24 poor 7 94 25 30 2.2-19.0 3.9/2634=2, 5.2/11770=2...(4) HG LEU 22 - HE3 LYS 19 far 7 65 10 - 5.3-13.7 HG3 ARG 23 - HE2 LYS 36 far 6 61 10 - 5.2-24.9 HD3 LYS 31 - HE2 LYS 26 far 5 97 5 - 4.6-18.1 HD3 LYS 31 - HE2 LYS 24 far 5 97 5 - 4.7-18.8 HD2 LYS 31 - HE3 LYS 26 far 5 96 5 - 5.2-17.8 HD3 LYS 31 - HE2 LYS 36 far 5 96 5 - 4.3-12.0 HD2 LYS 26 - HE2 LYS 31 far 5 96 5 - 3.3-15.6 HD3 LYS 31 - HE3 LYS 36 far 5 96 5 - 5.3-12.3 HD2 LYS 26 - HE3 LYS 31 far 5 96 5 - 4.9-15.3 HD3 LYS 31 - HE3 LYS 26 far 5 94 5 - 3.6-17.7 HD3 LYS 36 - HE3 LYS 31 far 5 94 5 - 4.8-13.8 HD2 LYS 24 - HE2 LYS 36 far 5 93 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 24 far 4 89 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 4 88 5 - 5.3-36.2 HG LEU 22 - HE2 LYS 19 far 3 65 5 - 5.2-13.8 HG LEU 22 - HE2 LYS 24 far 3 64 5 - 4.9-11.8 HG3 ARG 23 - HE3 LYS 31 far 3 62 5 - 5.1-21.5 HG3 ARG 23 - HE3 LYS 36 far 3 61 5 - 5.1-25.4 HD2 LYS 31 - HE3 LYS 36 far 0 98 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 97 0 - 5.7-13.3 HG LEU 22 - HE2 LYS 26 far 0 64 0 - 5.8-17.0 HG3 ARG 23 - HE2 LYS 31 far 0 62 0 - 5.8-20.4 HG3 ARG 23 - HE3 LYS 19 far 0 63 0 - 5.8-14.9 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 92 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 92 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 92 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 96 0 - 6.6-34.7 HG LEU 22 - HE3 LYS 26 far 0 61 0 - 6.6-17.1 HB2 LEU 98 - HE2 LYS 24 far 0 100 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 94 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 94 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 96 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 93 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 91 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 99 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 94 0 - 7.0-26.2 HG3 ARG 23 - HE2 LYS 19 far 0 63 0 - 7.1-15.8 QB ALA 88 - HE3 LYS 86 far 0 61 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 92 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 99 0 - 7.4-26.2 HG3 ARG 23 - HE2 LYS 24 far 0 62 0 - 7.5-11.5 HG2 ARG 84 - HE3 LYS 86 far 0 67 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 99 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 84 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 88 0 - 7.6-12.5 HG3 ARG 23 - HE3 LYS 24 far 0 54 0 - 7.7-11.7 HD3 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 70 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 99 0 - 8.2-15.3 HB2 LEU 69 - HE3 LYS 31 far 0 100 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 85 0 - 8.4-26.0 HG LEU 22 - HE3 LYS 31 far 0 64 0 - 8.5-23.4 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 8.6-25.1 HD2 LYS 24 - HE2 LYS 31 far 0 94 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 100 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.2-34.1 HG LEU 22 - HE2 LYS 31 far 0 64 0 - 9.2-22.5 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 100 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 100 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 93 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 99 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HB2 LEU 98 - HE3 LYS 26 far 0 98 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 97 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 333 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 90 90 - 100 HE3 LYS 86 + HE3 LYS 86 OK 73 73 - 100 Reference assignment not found: HE2 LYS 19 - HE3 LYS 19 Peak 334 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 90 90 - 100 HE3 LYS 86 + HE3 LYS 86 OK 73 73 - 100 Peak 337 from aliabs.peaks (3.99, 3.99, 62.40 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA VAL 20 + HA VAL 20 OK 100 100 - 100 HB2 SER 124 + HB2 SER 124 OK 99 99 - 100 HA SER 50 + HA SER 50 OK 93 93 - 100 HB3 SER 51 + HB3 SER 51 OK 70 70 - 100 Peak 338 from aliabs.peaks (2.00, 3.99, 62.40 ppm; 3.89 A): 2 out of 18 assignments used, quality = 1.00: * HB VAL 20 + HA VAL 20 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 53 + HA SER 50 OK 86 92 100 93 2.5-4.3 1.8/1644=46, 1653=38...(17) HG2 PRO 58 - HA VAL 20 far 0 68 0 - 5.4-32.8 HB2 GLU 55 - HA VAL 20 far 0 97 0 - 5.5-35.6 HB VAL 20 - HB3 SER 51 far 0 74 0 - 5.7-32.0 HB3 LEU 53 - HB2 SER 124 far 0 98 0 - 5.8-12.1 HB2 GLU 55 - HB3 SER 51 far 0 69 0 - 6.0-9.6 HB3 MET 11 - HA VAL 20 far 0 96 0 - 6.3-22.6 HB3 GLU 30 - HA VAL 20 far 0 97 0 - 6.4-20.7 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.4-7.8 QE MET 11 - HA VAL 20 far 0 65 0 - 6.9-21.8 HB2 GLU 55 - HA SER 50 far 0 90 0 - 7.7-10.6 HG2 PRO 56 - HA VAL 20 far 0 99 0 - 8.3-37.8 HB ILE 129 - HB2 SER 124 far 0 99 0 - 8.6-10.8 HB3 PRO 117 - HB2 SER 124 far 0 98 0 - 8.6-11.0 HB ILE 129 - HA SER 50 far 0 94 0 - 8.9-11.8 HG3 PRO 56 - HA VAL 20 far 0 97 0 - 9.0-38.8 HB VAL 20 - HA SER 50 far 0 95 0 - 9.2-32.6 Violated in 0 structures by 0.00 A. Peak 339 from aliabs.peaks (0.91, 3.99, 62.40 ppm; 3.26 A): 5 out of 39 assignments used, quality = 1.00: * QG1 VAL 20 + HA VAL 20 OK 100 100 100 100 2.4-3.2 3.2=100 QG2 VAL 20 + HA VAL 20 OK 92 92 100 100 2.0-2.3 3.2=100 QD1 LEU 49 + HA SER 50 OK 90 94 100 96 2.0-2.8 2.1/9218=21, 11772=21...(44) QD1 LEU 123 + HA SER 50 OK 73 80 100 91 1.7-3.9 11874=56, 2.1/11636=33...(27) QD2 LEU 123 + HA SER 50 OK 49 60 95 86 1.7-4.8 2.1/11874=46, 11636=25...(26) QD1 LEU 48 - HB3 SER 51 poor 15 74 35 59 4.3-6.0 4.0/1493=20...(10) QD1 LEU 123 - HB2 SER 124 far 13 86 15 - 3.3-7.0 QD1 LEU 22 - HA VAL 20 far 12 81 15 - 3.6-7.1 QD2 LEU 48 - HB3 SER 51 far 7 65 10 - 4.2-6.6 QD1 LEU 48 - HA VAL 20 far 5 100 5 - 3.6-25.7 QG1 VAL 20 - HB3 SER 51 far 4 74 5 - 3.1-27.1 QG2 VAL 20 - HB3 SER 51 far 0 62 0 - 5.2-27.5 QD2 LEU 48 - HA VAL 20 far 0 95 0 - 5.2-24.1 QD1 LEU 48 - HA SER 50 far 0 95 0 - 5.7-7.9 QD2 LEU 123 - HB2 SER 124 far 0 66 0 - 5.8-7.0 QD1 LEU 49 - HB3 SER 51 far 0 73 0 - 5.9-6.7 QD2 LEU 48 - HA SER 50 far 0 86 0 - 5.9-7.4 QG2 ILE 37 - HA VAL 20 far 0 68 0 - 6.0-24.4 QG1 VAL 20 - HA SER 50 far 0 95 0 - 6.1-28.6 QD1 LEU 123 - HB3 SER 51 far 0 59 0 - 6.1-8.3 QD1 LEU 49 - HB2 SER 124 far 0 99 0 - 6.1-9.1 QD2 LEU 123 - HB3 SER 51 far 0 43 0 - 6.2-8.6 QD1 LEU 62 - HA SER 50 far 0 94 0 - 6.4-9.7 QD1 LEU 62 - HB2 SER 124 far 0 99 0 - 7.0-12.4 QG1 VAL 118 - HA SER 50 far 0 83 0 - 7.1-12.5 QG1 VAL 118 - HB2 SER 124 far 0 90 0 - 7.2-8.5 QD1 LEU 119 - HA SER 50 far 0 50 0 - 7.3-12.6 QD2 LEU 98 - HB2 SER 124 far 0 66 0 - 7.6-12.3 QG2 VAL 20 - HA SER 50 far 0 83 0 - 7.7-26.4 QD1 LEU 22 - HB3 SER 51 far 0 52 0 - 7.8-28.0 QD1 LEU 62 - HB3 SER 51 far 0 73 0 - 8.2-12.7 QG2 VAL 112 - HA VAL 20 far 0 92 0 - 8.2-38.4 QD1 LEU 119 - HB3 SER 51 far 0 35 0 - 8.9-16.7 QD1 LEU 49 - HA VAL 20 far 0 100 0 - 9.0-25.3 QD1 LEU 119 - HB2 SER 124 far 0 55 0 - 9.1-10.8 QG1 VAL 118 - HA VAL 20 far 0 92 0 - 9.6-30.5 QG2 ILE 37 - HA SER 50 far 0 60 0 - 9.6-16.6 QD1 LEU 119 - HA VAL 20 far 0 57 0 - 9.9-31.9 QG2 VAL 63 - HA SER 50 far 0 94 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 340 from aliabs.peaks (0.89, 3.99, 62.40 ppm; 3.26 A): 4 out of 32 assignments used, quality = 1.00: * QG2 VAL 20 + HA VAL 20 OK 100 100 100 100 2.0-2.3 3.2=100 QG1 VAL 20 + HA VAL 20 OK 92 92 100 100 2.4-3.2 3.2=100 QD2 LEU 123 + HA SER 50 OK 77 89 95 91 1.7-4.8 2.1/11874=46, 11636=43...(27) QD1 LEU 49 + HA SER 50 OK 72 76 100 94 2.0-2.8 2.1/9218=21, 9209/3.0=15...(44) QD1 LEU 22 - HA VAL 20 far 15 99 15 - 3.6-7.1 QD1 LEU 48 - HB3 SER 51 poor 12 61 35 58 4.3-6.0 4.0/1493=20...(10) QD2 LEU 48 - HB3 SER 51 far 7 74 10 - 4.2-6.6 QD1 LEU 48 - HA VAL 20 far 5 90 5 - 3.6-25.7 QG1 VAL 20 - HB3 SER 51 far 3 62 5 - 3.1-27.1 QD2 LEU 69 - HA SER 50 far 0 57 0 - 5.1-9.2 QG2 VAL 20 - HB3 SER 51 far 0 74 0 - 5.2-27.5 QD2 LEU 48 - HA VAL 20 far 0 100 0 - 5.2-24.1 QD1 LEU 48 - HA SER 50 far 0 82 0 - 5.7-7.9 QD2 LEU 123 - HB2 SER 124 far 0 95 0 - 5.8-7.0 QD1 LEU 49 - HB3 SER 51 far 0 56 0 - 5.9-6.7 QD2 LEU 48 - HA SER 50 far 0 94 0 - 5.9-7.4 QG1 VAL 20 - HA SER 50 far 0 83 0 - 6.1-28.6 QD1 LEU 49 - HB2 SER 124 far 0 83 0 - 6.1-9.1 QD2 LEU 123 - HB3 SER 51 far 0 68 0 - 6.2-8.6 QD1 LEU 62 - HA SER 50 far 0 74 0 - 6.4-9.7 QD1 LEU 62 - HB2 SER 124 far 0 81 0 - 7.0-12.4 QG1 VAL 118 - HA SER 50 far 0 95 0 - 7.1-12.5 QG1 VAL 118 - HB2 SER 124 far 0 99 0 - 7.2-8.5 QD2 LEU 98 - HB2 SER 124 far 0 95 0 - 7.6-12.3 QG2 VAL 20 - HA SER 50 far 0 95 0 - 7.7-26.4 QD1 LEU 22 - HB3 SER 51 far 0 72 0 - 7.8-28.0 QD2 LEU 69 - HB3 SER 51 far 0 41 0 - 7.8-11.4 QD1 LEU 62 - HB3 SER 51 far 0 54 0 - 8.2-12.7 QD2 LEU 69 - HB2 SER 124 far 0 63 0 - 8.4-12.4 QD1 LEU 49 - HA VAL 20 far 0 85 0 - 9.0-25.3 QG1 VAL 118 - HA VAL 20 far 0 100 0 - 9.6-30.5 QG2 VAL 63 - HA SER 50 far 0 80 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 341 from aliabs.peaks (8.31, 3.99, 62.40 ppm; 4.73 A): 3 out of 8 assignments used, quality = 1.00: * H ALA 21 + HA VAL 20 OK 100 100 100 100 3.1-3.6 3.6=100 H LEU 49 + HA SER 50 OK 82 88 100 93 5.0-5.4 6610/3.6=60, 6593/3.0=32...(13) H LEU 49 + HB3 SER 51 OK 61 66 100 92 5.4-6.2 6610/3.8=57, 3.6/1493=46...(10) H ALA 110 - HA VAL 20 far 5 100 5 - 5.2-47.7 H ALA 21 - HB3 SER 51 far 0 74 0 - 6.6-33.2 H LEU 49 - HA VAL 20 far 0 96 0 - 7.0-30.1 H SER 99 - HB2 SER 124 far 0 78 0 - 9.1-11.0 H LEU 69 - HA SER 50 far 0 85 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 343 from aliabs.peaks (3.99, 2.00, 32.54 ppm; 3.35 A): 1 out of 14 assignments used, quality = 1.00: * HA VAL 20 + HB VAL 20 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 106 - HB VAL 20 far 5 97 5 - 3.3-45.2 HB2 SER 106 - HB VAL 20 far 4 73 5 - 3.4-45.0 HA ILE 37 - HB VAL 20 far 0 57 0 - 5.7-29.3 HB3 SER 51 - HB VAL 20 far 0 98 0 - 5.7-32.0 HB3 SER 106 - HB3 MET 11 far 0 41 0 - 6.0-57.5 HA VAL 20 - HB3 MET 11 far 0 46 0 - 6.3-22.6 HB2 SER 38 - HB VAL 20 far 0 95 0 - 6.5-31.8 HB2 SER 106 - HB3 MET 11 far 0 28 0 - 7.0-57.1 HA THR 65 - HB VAL 20 far 0 83 0 - 7.4-26.7 HB2 SER 38 - HB2 PRO 81 far 0 26 0 - 7.6-15.1 HA LEU 103 - HB VAL 20 far 0 73 0 - 8.6-40.5 HA SER 50 - HB VAL 20 far 0 99 0 - 9.2-32.6 HA GLN 68 - HB VAL 20 far 0 96 0 - 9.4-26.6 Violated in 0 structures by 0.00 A. Peak 344 from aliabs.peaks (2.00, 2.00, 32.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 20 + HB VAL 20 OK 100 100 - 100 HB3 MET 11 + HB3 MET 11 OK 41 41 - 100 Peak 345 from aliabs.peaks (0.91, 2.00, 32.54 ppm; 2.67 A): 2 out of 19 assignments used, quality = 1.00: * QG1 VAL 20 + HB VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 20 + HB VAL 20 OK 92 92 100 100 2.1-2.1 2.1=100 QG2 VAL 20 - HB3 MET 11 far 4 38 10 - 3.7-18.6 QG2 ILE 37 - HB VAL 20 far 3 68 5 - 3.6-26.3 QG1 VAL 20 - HB3 MET 11 far 2 46 5 - 2.6-16.6 QD1 LEU 22 - HB3 MET 11 far 2 31 5 - 3.0-17.7 QD1 LEU 22 - HB VAL 20 far 0 81 0 - 4.7-7.9 QD1 LEU 48 - HB VAL 20 far 0 100 0 - 4.9-24.8 QD2 LEU 48 - HB VAL 20 far 0 95 0 - 6.4-23.0 QG2 VAL 112 - HB VAL 20 far 0 92 0 - 8.0-39.7 QG2 ILE 37 - HB3 MET 11 far 0 25 0 - 8.1-29.4 QD1 LEU 48 - HB3 MET 11 far 0 46 0 - 8.2-30.9 QD1 LEU 49 - HB VAL 20 far 0 100 0 - 8.3-25.8 QD1 LEU 119 - HB VAL 20 far 0 57 0 - 8.6-33.2 QD1 LEU 62 - HB VAL 20 far 0 100 0 - 8.6-30.1 QG1 VAL 118 - HB VAL 20 far 0 92 0 - 8.9-31.5 QD2 LEU 123 - HB VAL 20 far 0 68 0 - 9.1-27.7 QD2 LEU 48 - HB3 MET 11 far 0 40 0 - 9.3-30.7 QD2 LEU 98 - HB VAL 20 far 0 68 0 - 10.0-33.6 Violated in 0 structures by 0.00 A. Peak 346 from aliabs.peaks (0.89, 2.00, 32.54 ppm; 2.97 A): 2 out of 15 assignments used, quality = 1.00: * QG2 VAL 20 + HB VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 20 + HB VAL 20 OK 92 92 100 100 2.1-2.1 2.1=100 QG2 VAL 20 - HB3 MET 11 far 5 46 10 - 3.7-18.6 QD1 LEU 22 - HB3 MET 11 far 2 44 5 - 3.0-17.7 QG1 VAL 20 - HB3 MET 11 far 2 38 5 - 2.6-16.6 QD1 LEU 22 - HB VAL 20 far 0 99 0 - 4.7-7.9 QD1 LEU 48 - HB VAL 20 far 0 90 0 - 4.9-24.8 QD2 LEU 48 - HB VAL 20 far 0 100 0 - 6.4-23.0 QD1 LEU 48 - HB3 MET 11 far 0 37 0 - 8.2-30.9 QD1 LEU 49 - HB VAL 20 far 0 85 0 - 8.3-25.8 QD1 LEU 62 - HB VAL 20 far 0 83 0 - 8.6-30.1 QG1 VAL 118 - HB VAL 20 far 0 100 0 - 8.9-31.5 QD2 LEU 123 - HB VAL 20 far 0 97 0 - 9.1-27.7 QD2 LEU 48 - HB3 MET 11 far 0 46 0 - 9.3-30.7 QD2 LEU 98 - HB VAL 20 far 0 97 0 - 10.0-33.6 Violated in 0 structures by 0.00 A. Peak 349 from aliabs.peaks (3.99, 0.91, 20.56 ppm; 3.17 A): 2 out of 22 assignments used, quality = 1.00: * HA VAL 20 + QG1 VAL 20 OK 100 100 100 100 2.4-3.2 3.2=97, 3.0/348=49...(14) HA VAL 20 + QG2 VAL 20 OK 56 56 100 100 2.0-2.3 3.2=97, 6176/4.3=34...(13) HB3 SER 51 - QG1 VAL 20 far 5 98 5 - 3.1-27.1 HB3 SER 106 - QG1 VAL 20 far 5 97 5 - 3.8-38.8 HB2 SER 38 - QG1 VAL 20 far 5 95 5 - 3.7-27.8 HB2 SER 106 - QG1 VAL 20 far 4 73 5 - 4.5-38.8 HB3 SER 106 - QG2 VAL 20 far 3 51 5 - 3.9-36.2 HA THR 65 - QG2 VAL 20 far 2 40 5 - 4.4-21.0 HB2 SER 106 - QG2 VAL 20 far 2 34 5 - 4.3-36.2 HA ILE 37 - QG2 VAL 20 far 0 25 0 - 4.9-24.3 HB3 SER 51 - QG2 VAL 20 far 0 52 0 - 5.2-27.5 HA ILE 37 - QG1 VAL 20 far 0 57 0 - 5.2-25.1 HA THR 65 - QG1 VAL 20 far 0 83 0 - 5.8-23.5 HB2 SER 38 - QG2 VAL 20 far 0 49 0 - 6.1-26.6 HA SER 50 - QG1 VAL 20 far 0 99 0 - 6.1-28.6 HA SER 50 - QG2 VAL 20 far 0 54 0 - 7.7-26.4 HA LEU 103 - QG2 VAL 20 far 0 34 0 - 8.2-32.5 HA GLN 68 - QG2 VAL 20 far 0 50 0 - 8.3-20.9 HA GLN 68 - QG1 VAL 20 far 0 96 0 - 8.5-23.5 HA LEU 103 - QG1 VAL 20 far 0 73 0 - 8.8-35.0 HA SER 60 - QG2 VAL 20 far 0 41 0 - 8.9-26.0 HA GLN 127 - QG1 VAL 20 far 0 78 0 - 9.9-28.5 Violated in 0 structures by 0.00 A. Peak 350 from aliabs.peaks (2.00, 0.91, 20.56 ppm; 2.74 A): 2 out of 25 assignments used, quality = 1.00: * HB VAL 20 + QG1 VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 20 + QG2 VAL 20 OK 56 56 100 100 2.1-2.1 2.1=100 HB3 MET 11 - QG2 VAL 20 far 5 50 10 - 3.7-18.6 HB2 GLU 55 - QG1 VAL 20 far 5 97 5 - 3.5-32.1 HB3 GLU 30 - QG1 VAL 20 far 5 97 5 - 3.9-19.1 HB3 MET 11 - QG1 VAL 20 far 5 96 5 - 2.6-16.6 QE MET 11 - QG1 VAL 20 far 3 65 5 - 3.5-16.2 HB2 GLU 55 - QG2 VAL 20 far 3 51 5 - 2.2-30.1 HG2 PRO 56 - QG1 VAL 20 far 0 99 0 - 4.4-33.6 HB3 GLU 30 - QG2 VAL 20 far 0 51 0 - 4.5-16.6 QE MET 11 - QG2 VAL 20 far 0 30 0 - 5.1-17.8 HG2 PRO 56 - QG2 VAL 20 far 0 54 0 - 5.2-31.6 HG3 PRO 56 - QG1 VAL 20 far 0 97 0 - 5.4-35.0 HG3 PRO 56 - QG2 VAL 20 far 0 51 0 - 5.9-32.9 HB3 PRO 56 - QG1 VAL 20 far 0 100 0 - 6.1-34.4 HB3 LEU 53 - QG1 VAL 20 far 0 99 0 - 6.5-29.7 HG2 PRO 58 - QG2 VAL 20 far 0 31 0 - 6.7-27.5 HB3 GLU 40 - QG1 VAL 20 far 0 81 0 - 6.8-29.7 HB3 PRO 56 - QG2 VAL 20 far 0 56 0 - 7.0-32.3 HG2 PRO 58 - QG1 VAL 20 far 0 68 0 - 7.0-29.7 HB2 GLU 44 - QG1 VAL 20 far 0 76 0 - 7.7-26.4 HB3 LEU 53 - QG2 VAL 20 far 0 54 0 - 7.8-27.6 HB VAL 63 - QG2 VAL 20 far 0 38 0 - 8.6-26.2 HB2 GLU 44 - QG2 VAL 20 far 0 36 0 - 9.1-26.6 HB3 GLU 40 - QG2 VAL 20 far 0 38 0 - 9.4-28.8 Violated in 0 structures by 0.00 A. Peak 351 from aliabs.peaks (0.91, 0.91, 20.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 20 + QG1 VAL 20 OK 100 100 - 100 QG2 VAL 20 + QG2 VAL 20 OK 46 46 - 100 Peak 352 from aliabs.peaks (0.89, 0.91, 20.56 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QG1 VAL 20 + QG1 VAL 20 OK 92 92 - 100 QG2 VAL 20 + QG2 VAL 20 OK 56 56 - 100 Reference assignment not found: QG2 VAL 20 - QG1 VAL 20 Peak 355 from aliabs.peaks (3.99, 0.89, 20.84 ppm; 3.32 A): 2 out of 22 assignments used, quality = 1.00: * HA VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.0-2.3 3.2=100 HA VAL 20 + QG1 VAL 20 OK 56 56 100 100 2.4-3.2 3.2=100 HB3 SER 106 - QG2 VAL 20 far 5 97 5 - 3.9-36.2 HA THR 65 - QG2 VAL 20 far 4 83 5 - 4.4-21.0 HB2 SER 106 - QG2 VAL 20 far 4 73 5 - 4.3-36.2 HB3 SER 51 - QG1 VAL 20 far 3 52 5 - 3.1-27.1 HB3 SER 106 - QG1 VAL 20 far 3 51 5 - 3.8-38.8 HB2 SER 38 - QG1 VAL 20 far 2 49 5 - 3.7-27.8 HB2 SER 106 - QG1 VAL 20 far 2 34 5 - 4.5-38.8 HA ILE 37 - QG2 VAL 20 far 0 57 0 - 4.9-24.3 HB3 SER 51 - QG2 VAL 20 far 0 98 0 - 5.2-27.5 HA ILE 37 - QG1 VAL 20 far 0 25 0 - 5.2-25.1 HA THR 65 - QG1 VAL 20 far 0 40 0 - 5.8-23.5 HB2 SER 38 - QG2 VAL 20 far 0 95 0 - 6.1-26.6 HA SER 50 - QG1 VAL 20 far 0 54 0 - 6.1-28.6 HA SER 50 - QG2 VAL 20 far 0 99 0 - 7.7-26.4 HA LEU 103 - QG2 VAL 20 far 0 73 0 - 8.2-32.5 HA GLN 68 - QG2 VAL 20 far 0 96 0 - 8.3-20.9 HA GLN 68 - QG1 VAL 20 far 0 50 0 - 8.5-23.5 HA LEU 103 - QG1 VAL 20 far 0 34 0 - 8.8-35.0 HA SER 60 - QG2 VAL 20 far 0 85 0 - 8.9-26.0 HA GLN 127 - QG1 VAL 20 far 0 37 0 - 9.9-28.5 Violated in 0 structures by 0.00 A. Peak 356 from aliabs.peaks (2.00, 0.89, 20.84 ppm; 2.83 A): 2 out of 25 assignments used, quality = 1.00: * HB VAL 20 + QG2 VAL 20 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 20 + QG1 VAL 20 OK 56 56 100 100 2.1-2.1 2.1=100 HB3 MET 11 - QG2 VAL 20 far 10 96 10 - 3.7-18.6 HB2 GLU 55 - QG2 VAL 20 far 5 97 5 - 2.2-30.1 HB2 GLU 55 - QG1 VAL 20 far 3 51 5 - 3.5-32.1 HB3 GLU 30 - QG1 VAL 20 far 3 51 5 - 3.9-19.1 HB3 MET 11 - QG1 VAL 20 far 2 50 5 - 2.6-16.6 QE MET 11 - QG1 VAL 20 far 1 30 5 - 3.5-16.2 HG2 PRO 56 - QG1 VAL 20 far 0 54 0 - 4.4-33.6 HB3 GLU 30 - QG2 VAL 20 far 0 97 0 - 4.5-16.6 QE MET 11 - QG2 VAL 20 far 0 65 0 - 5.1-17.8 HG2 PRO 56 - QG2 VAL 20 far 0 99 0 - 5.2-31.6 HG3 PRO 56 - QG1 VAL 20 far 0 51 0 - 5.4-35.0 HG3 PRO 56 - QG2 VAL 20 far 0 97 0 - 5.9-32.9 HB3 PRO 56 - QG1 VAL 20 far 0 56 0 - 6.1-34.4 HB3 LEU 53 - QG1 VAL 20 far 0 54 0 - 6.5-29.7 HG2 PRO 58 - QG2 VAL 20 far 0 68 0 - 6.7-27.5 HB3 GLU 40 - QG1 VAL 20 far 0 38 0 - 6.8-29.7 HB3 PRO 56 - QG2 VAL 20 far 0 100 0 - 7.0-32.3 HG2 PRO 58 - QG1 VAL 20 far 0 31 0 - 7.0-29.7 HB2 GLU 44 - QG1 VAL 20 far 0 36 0 - 7.7-26.4 HB3 LEU 53 - QG2 VAL 20 far 0 99 0 - 7.8-27.6 HB VAL 63 - QG2 VAL 20 far 0 81 0 - 8.6-26.2 HB2 GLU 44 - QG2 VAL 20 far 0 76 0 - 9.1-26.6 HB3 GLU 40 - QG2 VAL 20 far 0 81 0 - 9.4-28.8 Violated in 0 structures by 0.00 A. Peak 357 from aliabs.peaks (0.91, 0.89, 20.84 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QG2 VAL 20 + QG2 VAL 20 OK 92 92 - 100 QG1 VAL 20 + QG1 VAL 20 OK 56 56 - 100 Reference assignment not found: QG1 VAL 20 - QG2 VAL 20 Peak 358 from aliabs.peaks (0.89, 0.89, 20.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 20 + QG2 VAL 20 OK 100 100 - 100 QG1 VAL 20 + QG1 VAL 20 OK 46 46 - 100 Peak 361 from aliabs.peaks (4.29, 4.29, 52.41 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 21 + HA ALA 21 OK 100 100 - 100 HA ALA 12 + HA ALA 12 OK 82 82 - 100 HA ALA 15 + HA ALA 15 OK 60 60 - 100 HA ALA 110 + HA ALA 110 OK 58 58 - 100 HA ALA 109 + HA ALA 109 OK 50 50 - 100 HA ALA 16 + HA ALA 16 OK 40 40 - 100 HA ALA 108 + HA ALA 108 OK 29 29 - 100 Peak 362 from aliabs.peaks (1.35, 4.29, 52.41 ppm; 2.50 A): 2 out of 27 assignments used, quality = 1.00: * QB ALA 21 + HA ALA 21 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 78 78 100 100 2.1-2.1 2.1=100 QB ALA 12 - HA ALA 16 far 7 47 15 - 2.9-10.8 QB ALA 12 - HA ALA 15 far 6 65 10 - 3.5-8.6 HG2 LYS 24 - HA ALA 21 far 6 57 10 - 2.3-10.7 QB ALA 12 - HA ALA 21 far 5 95 5 - 3.5-16.2 HG2 LYS 19 - HA ALA 15 far 5 46 10 - 2.8-13.4 QB ALA 21 - HA ALA 109 far 3 65 5 - 2.9-40.6 QB ALA 21 - HA ALA 110 far 3 64 5 - 3.0-41.9 QB ALA 21 - HA ALA 108 far 2 38 5 - 3.4-38.8 HG2 LYS 19 - HA ALA 16 far 0 33 0 - 4.7-10.8 QB ALA 21 - HA ALA 16 far 0 55 0 - 4.9-12.4 QB ALA 21 - HA ALA 15 far 0 73 0 - 5.4-13.1 HG2 LYS 19 - HA ALA 12 far 0 58 0 - 5.5-18.1 QB ALA 21 - HA ALA 12 far 0 87 0 - 5.6-17.0 HG2 LYS 24 - HA ALA 15 far 0 35 0 - 6.3-22.5 HG2 LYS 19 - HA ALA 110 far 0 40 0 - 6.6-54.1 HG2 LYS 24 - HA ALA 109 far 0 30 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 73 0 - 7.0-10.1 HG2 LYS 19 - HA ALA 109 far 0 40 0 - 7.9-53.1 HG2 LYS 24 - HA ALA 16 far 0 25 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 44 0 - 8.0-22.3 QB ALA 12 - HA ALA 110 far 0 56 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 23 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 65 0 - 9.7-31.2 HG2 LYS 24 - HA ALA 110 far 0 30 0 - 9.8-43.7 QB ALA 46 - HA ALA 21 far 0 99 0 - 9.9-25.8 Violated in 0 structures by 0.00 A. Peak 365 from aliabs.peaks (4.29, 1.35, 18.98 ppm; 2.50 A): 2 out of 32 assignments used, quality = 1.00: * HA ALA 21 + QB ALA 21 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 12 + QB ALA 12 OK 76 76 100 100 2.1-2.1 2.1=100 HA LYS 19 - QB ALA 21 poor 15 73 20 - 3.4-6.4 HA LEU 22 - QB ALA 21 poor 14 57 25 - 3.8-4.6 HA ALA 16 - QB ALA 12 far 9 63 15 - 2.9-10.8 HA ALA 15 - QB ALA 12 far 7 68 10 - 3.5-8.6 HA THR 18 - QB ALA 21 lone 5 93 40 14 2.2-8.0 10686=5, 3.0/10683=4...(5) HA ALA 110 - QB ALA 21 far 5 97 5 - 3.0-41.9 HA GLN 61 - QB ALA 21 far 5 90 5 - 3.6-25.2 HA ALA 109 - QB ALA 21 far 4 87 5 - 2.9-40.6 HA ALA 108 - QB ALA 21 far 4 87 5 - 3.4-38.8 HA ALA 21 - QB ALA 12 far 4 82 5 - 3.5-16.2 HA THR 18 - QB ALA 12 far 4 71 5 - 3.6-12.4 HA LYS 19 - QB ALA 12 far 3 53 5 - 3.4-15.1 HA LYS 31 - QB ALA 12 far 0 51 0 - 4.3-22.8 HA LYS 36 - QB ALA 21 far 0 97 0 - 4.3-27.9 HA GLN 61 - QB ALA 12 far 0 68 0 - 4.7-31.1 HA ARG 23 - QB ALA 21 far 0 89 0 - 4.8-7.4 HA ALA 16 - QB ALA 21 far 0 85 0 - 4.9-12.4 HA THR 25 - QB ALA 12 far 0 80 0 - 5.1-18.5 HA TYR 76 - QB ALA 12 far 0 74 0 - 5.1-32.7 HA ALA 15 - QB ALA 21 far 0 90 0 - 5.4-13.1 HA THR 25 - QB ALA 21 far 0 100 0 - 5.5-11.6 HA ALA 12 - QB ALA 21 far 0 97 0 - 5.6-17.0 HA LYS 31 - QB ALA 21 far 0 71 0 - 6.9-19.5 HA LEU 22 - QB ALA 12 far 0 40 0 - 6.9-15.0 HA LYS 26 - QB ALA 12 far 0 46 0 - 7.0-18.9 HB THR 115 - QB ALA 21 far 0 76 0 - 7.5-38.4 HA LYS 26 - QB ALA 21 far 0 65 0 - 8.0-12.1 HA ARG 23 - QB ALA 12 far 0 66 0 - 8.0-14.5 HA LYS 36 - QB ALA 12 far 0 75 0 - 9.0-27.7 HA ALA 110 - QB ALA 12 far 0 75 0 - 9.1-47.9 Violated in 0 structures by 0.00 A. Peak 366 from aliabs.peaks (1.35, 1.35, 18.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 21 + QB ALA 21 OK 100 100 - 100 QB ALA 12 + QB ALA 12 OK 73 73 - 100 Peak 369 from aliabs.peaks (4.26, 4.26, 54.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 22 + HA LEU 22 OK 100 100 - 100 Peak 370 from aliabs.peaks (1.54, 4.26, 54.88 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 22 + HA LEU 22 OK 100 100 100 100 2.7-3.0 2.9=100 HG2 ARG 23 + HA LEU 22 OK 54 85 70 91 3.6-5.9 6205/375=58, 444=24...(25) Violated in 0 structures by 0.00 A. Peak 371 from aliabs.peaks (1.62, 4.26, 54.88 ppm; 4.22 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-2.9 2.9=100 HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-4.1 4.3=97, 2.1/373=93...(23) HG3 ARG 23 + HA LEU 22 OK 34 100 40 86 3.9-7.1 5.0/375=52, 1.8/370=30...(14) HB2 LEU 98 - HA LEU 22 far 0 60 0 - 7.2-38.7 Violated in 0 structures by 0.00 A. Peak 372 from aliabs.peaks (1.62, 4.26, 54.88 ppm; 4.21 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-4.1 4.3=96, 2.1/373=93...(23) HB3 LEU 22 + HA LEU 22 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 ARG 23 + HA LEU 22 OK 34 100 40 86 3.9-7.1 5.0/375=52, 1.8/370=29...(14) HD2 LYS 19 - HA LEU 22 far 0 60 0 - 6.1-11.8 HD3 LYS 19 - HA LEU 22 far 0 65 0 - 6.5-12.8 HB2 LEU 98 - HA LEU 22 far 0 71 0 - 7.2-38.7 Violated in 0 structures by 0.00 A. Peak 373 from aliabs.peaks (0.84, 4.26, 54.88 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 22 + HA LEU 22 OK 100 100 100 100 2.0-3.5 3.9=96, 402/2.9=75...(21) QD1 LEU 98 - HA LEU 22 far 0 87 0 - 6.6-33.2 QG2 ILE 32 - HA LEU 22 far 0 100 0 - 7.4-18.9 Violated in 0 structures by 0.00 A. Peak 374 from aliabs.peaks (0.89, 4.26, 54.88 ppm; 4.52 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 22 + HA LEU 22 OK 100 100 100 100 2.5-4.1 4.0=100 QG2 VAL 20 - HA LEU 22 poor 19 99 25 77 4.0-7.8 ~10724=30, 6201/375=25...(12) QG1 VAL 20 - HA LEU 22 far 8 81 10 - 4.7-7.6 QD1 LEU 98 - HA LEU 22 far 0 63 0 - 6.6-33.2 QG1 VAL 118 - HA LEU 22 far 0 99 0 - 7.2-27.7 QD1 LEU 48 - HA LEU 22 far 0 78 0 - 7.9-22.3 QD2 LEU 98 - HA LEU 22 far 0 100 0 - 8.7-31.1 QD2 LEU 48 - HA LEU 22 far 0 99 0 - 9.2-22.5 QG2 VAL 63 - HA LEU 22 far 0 76 0 - 9.5-26.0 Violated in 0 structures by 0.00 A. Peak 377 from aliabs.peaks (4.26, 1.54, 42.02 ppm; 3.42 A): 2 out of 23 assignments used, quality = 1.00: * HA LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.7-3.0 2.9=100 HA ARG 23 + HB2 LEU 22 OK 87 95 95 97 3.7-5.4 2.9/6197=51...(23) HA LYS 19 - HB2 LEU 22 poor 9 99 30 31 2.9-11.0 409/3.1=9, 401/402=5...(13) HA THR 18 - HB2 LEU 22 far 9 90 10 - 3.8-10.6 HA ALA 21 - HB2 LEU 22 far 0 57 0 - 5.0-6.4 HA LYS 36 - HB3 LEU 42 far 0 58 0 - 5.0-11.0 HA ALA 28 - HB2 LEU 22 far 0 81 0 - 5.9-16.9 HA ALA 110 - HB2 LEU 22 far 0 85 0 - 6.0-45.4 HA ALA 109 - HB2 LEU 22 far 0 96 0 - 6.5-44.2 HA ALA 15 - HB2 LEU 22 far 0 93 0 - 6.8-17.4 HA ALA 12 - HB2 LEU 22 far 0 83 0 - 7.0-19.6 HA GLN 61 - HB2 LEU 22 far 0 93 0 - 7.0-26.5 HA ALA 108 - HB2 LEU 22 far 0 96 0 - 7.0-42.3 HA THR 25 - HB2 LEU 22 far 0 71 0 - 7.4-10.0 HA ALA 16 - HB2 LEU 22 far 0 97 0 - 7.5-16.4 HA GLN 27 - HB2 LEU 22 far 0 87 0 - 7.6-14.6 HA LYS 26 - HB2 LEU 22 far 0 100 0 - 7.6-11.3 HA LYS 31 - HB2 LEU 22 far 0 100 0 - 7.6-21.7 HA GLN 27 - HB3 LEU 42 far 0 60 0 - 7.6-20.5 HA LYS 36 - HB2 LEU 22 far 0 85 0 - 8.5-32.6 HA SER 74 - HB3 LEU 42 far 0 51 0 - 8.6-12.0 HA THR 18 - HB3 LEU 42 far 0 63 0 - 8.8-33.2 HA THR 25 - HB3 LEU 42 far 0 47 0 - 9.3-26.4 Violated in 0 structures by 0.00 A. Peak 378 from aliabs.peaks (1.54, 1.54, 42.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 22 + HB2 LEU 22 OK 100 100 - 100 HB3 LEU 42 + HB3 LEU 42 OK 77 77 - 100 Peak 379 from aliabs.peaks (1.62, 1.54, 42.02 ppm; 2.50 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 22 + HB2 LEU 22 OK 95 100 100 96 2.3-2.9 3.0=59, 2.1/402=42...(19) HG LEU 43 - HB3 LEU 42 poor 10 45 45 51 3.0-5.5 ~11903=15, 4.6/6501=12...(6) HG3 ARG 23 - HB2 LEU 22 poor 10 100 25 40 2.7-7.3 5.0/6197=12, 3.8/377=9...(10) HB2 LEU 98 - HB2 LEU 22 far 0 60 0 - 8.9-39.2 HG LEU 70 - HB3 LEU 42 far 0 75 0 - 9.2-13.9 Violated in 0 structures by 0.00 A. Peak 380 from aliabs.peaks (1.62, 1.54, 42.02 ppm; 4.74 A): 4 out of 9 assignments used, quality = 1.00: * HG LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 LEU 22 + HB2 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 23 + HB2 LEU 22 OK 76 100 80 95 2.7-7.3 5.0/6197=56, 3.8/377=34...(25) HG LEU 43 + HB3 LEU 42 OK 52 53 100 99 3.0-5.5 ~11903=62, 4.6/6501=53...(8) HD3 LYS 19 - HB2 LEU 22 far 10 65 15 - 4.7-14.2 HB2 LEU 69 - HB3 LEU 42 far 4 39 10 - 5.6-9.1 HD2 LYS 19 - HB2 LEU 22 far 3 60 5 - 3.7-12.4 HB2 LEU 98 - HB2 LEU 22 far 0 71 0 - 8.9-39.2 HG LEU 70 - HB3 LEU 42 far 0 72 0 - 9.2-13.9 Violated in 0 structures by 0.00 A. Peak 381 from aliabs.peaks (0.84, 1.54, 42.02 ppm; 3.44 A): 3 out of 12 assignments used, quality = 1.00: * QD2 LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG1 VAL 133 + HB3 LEU 42 OK 38 76 50 100 2.1-5.8 10585/3.1=49...(30) QD2 LEU 69 + HB3 LEU 42 OK 21 47 45 98 3.4-7.9 ~11039=26, ~11066=25...(37) QG2 ILE 129 - HB3 LEU 42 poor 17 62 35 79 4.1-6.8 10486/3.1=45...(11) QG2 ILE 80 - HB3 LEU 42 far 0 45 0 - 6.4-12.2 QG2 ILE 32 - HB3 LEU 42 far 0 76 0 - 6.5-11.4 HG13 ILE 80 - HB3 LEU 42 far 0 39 0 - 7.0-12.6 QD2 LEU 70 - HB3 LEU 42 far 0 63 0 - 7.1-11.1 QG2 ILE 32 - HB2 LEU 22 far 0 100 0 - 7.4-19.3 QD1 LEU 70 - HB3 LEU 42 far 0 39 0 - 8.1-11.7 QD1 LEU 98 - HB2 LEU 22 far 0 87 0 - 8.3-33.6 QG2 VAL 57 - HB2 LEU 22 far 0 90 0 - 8.8-25.8 Violated in 0 structures by 0.00 A. Peak 382 from aliabs.peaks (0.89, 1.54, 42.02 ppm; 3.28 A): 1 out of 14 assignments used, quality = 1.00: * QD1 LEU 22 + HB2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 69 - HB3 LEU 42 poor 16 55 30 - 3.4-7.9 QG2 VAL 20 - HB2 LEU 22 poor 10 99 25 38 3.3-8.9 6192/6188=12...(7) QG1 VAL 20 - HB2 LEU 22 far 4 81 5 - 4.3-9.3 QD1 LEU 48 - HB2 LEU 22 far 0 78 0 - 6.2-23.4 QD1 LEU 49 - HB3 LEU 42 far 0 47 0 - 7.3-10.2 QD1 LEU 48 - HB3 LEU 42 far 0 53 0 - 7.7-10.4 QD2 LEU 48 - HB3 LEU 42 far 0 73 0 - 7.8-11.8 QD2 LEU 48 - HB2 LEU 22 far 0 99 0 - 8.0-24.1 QD1 LEU 98 - HB2 LEU 22 far 0 63 0 - 8.3-33.6 QD2 LEU 123 - HB3 LEU 42 far 0 75 0 - 8.8-14.4 QG1 VAL 20 - HB3 LEU 42 far 0 55 0 - 8.9-26.3 QG1 VAL 118 - HB2 LEU 22 far 0 99 0 - 9.4-28.0 QG2 VAL 20 - HB3 LEU 42 far 0 75 0 - 9.8-27.2 Violated in 0 structures by 0.00 A. Peak 385 from aliabs.peaks (4.26, 1.62, 42.02 ppm; 3.29 A): 1 out of 24 assignments used, quality = 1.00: * HA LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.2-2.9 2.9=100 HA ARG 23 - HB3 LEU 22 poor 19 95 20 - 4.5-6.3 HA LYS 19 - HB3 LEU 22 far 5 99 5 - 4.7-10.1 HA THR 18 - HB3 LEU 22 far 5 90 5 - 4.7-10.9 HA ALA 21 - HB3 LEU 22 far 3 57 5 - 4.5-6.5 HA ALA 28 - HB3 LEU 22 far 0 81 0 - 5.5-17.4 HA GLN 61 - HB3 LEU 22 far 0 93 0 - 6.6-27.1 HA ALA 12 - HB3 LEU 22 far 0 83 0 - 7.1-21.0 HA ALA 109 - HB3 LEU 22 far 0 96 0 - 7.2-43.7 HA ALA 108 - HB3 LEU 22 far 0 96 0 - 7.4-41.8 HA THR 25 - HB3 LEU 22 far 0 71 0 - 7.5-10.3 HA ALA 110 - HB3 LEU 22 far 0 85 0 - 7.6-45.0 HA ALA 15 - HB3 LEU 22 far 0 93 0 - 7.6-17.7 HA SER 124 - HB2 LEU 122 far 0 68 0 - 7.7-8.5 HA LYS 26 - HB3 LEU 22 far 0 100 0 - 7.9-12.0 HA ALA 110 - HB2 LEU 122 far 0 75 0 - 8.3-18.8 HA LYS 36 - HB3 LEU 22 far 0 85 0 - 8.6-33.3 HA ALA 108 - HB2 LEU 122 far 0 86 0 - 9.0-16.0 HA GLN 27 - HB3 LEU 22 far 0 87 0 - 9.2-15.7 HA ALA 16 - HB3 LEU 22 far 0 97 0 - 9.2-16.2 HA LYS 31 - HB3 LEU 22 far 0 100 0 - 9.4-21.6 HA SER 94 - HB2 LEU 122 far 0 56 0 - 9.6-11.6 HA ALA 109 - HB2 LEU 122 far 0 86 0 - 9.8-15.6 HA GLN 27 - HB2 LEU 122 far 0 77 0 - 10.0-24.2 Violated in 0 structures by 0.00 A. Peak 386 from aliabs.peaks (1.54, 1.62, 42.02 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 23 - HB3 LEU 22 far 4 85 5 - 3.4-7.3 HG LEU 123 - HB2 LEU 122 far 0 68 0 - 4.1-8.0 HB2 LEU 119 - HB2 LEU 122 far 0 93 0 - 5.1-8.2 HG LEU 103 - HB2 LEU 122 far 0 82 0 - 5.2-8.8 HG LEU 69 - HB2 LEU 122 far 0 51 0 - 5.9-11.8 HB2 LEU 53 - HB2 LEU 122 far 0 66 0 - 6.1-11.9 HG LEU 49 - HB2 LEU 122 far 0 54 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 387 from aliabs.peaks (1.62, 1.62, 42.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 22 + HB3 LEU 22 OK 100 100 - 100 HB2 LEU 122 + HB2 LEU 122 OK 90 90 - 100 Peak 388 from aliabs.peaks (1.62, 1.62, 42.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 22 + HB3 LEU 22 OK 100 100 - 100 HB2 LEU 122 + HB2 LEU 122 OK 86 86 - 100 Reference assignment not found: HG LEU 22 - HB3 LEU 22 Peak 389 from aliabs.peaks (0.84, 1.62, 42.02 ppm; 3.93 A): 3 out of 11 assignments used, quality = 1.00: * QD2 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 70 + HB2 LEU 122 OK 34 80 45 93 3.5-7.4 2272/3.0=19, 3173/1.8=15...(48) QD1 LEU 70 + HB2 LEU 122 OK 27 51 60 87 4.3-8.8 ~3173=13, ~2272=12...(41) QD1 LEU 98 - HB2 LEU 122 far 0 77 0 - 5.6-9.7 QD2 LEU 69 - HB2 LEU 122 far 0 61 0 - 6.4-10.9 QG2 ILE 32 - HB3 LEU 22 far 0 100 0 - 6.9-19.9 QD1 LEU 98 - HB3 LEU 22 far 0 87 0 - 8.1-33.3 QG2 VAL 57 - HB2 LEU 122 far 0 80 0 - 8.4-11.0 QG2 ILE 129 - HB2 LEU 122 far 0 79 0 - 9.2-11.3 QG2 VAL 57 - HB3 LEU 22 far 0 90 0 - 9.4-25.5 QG2 ILE 32 - HB2 LEU 122 far 0 93 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 390 from aliabs.peaks (0.89, 1.62, 42.02 ppm; 3.47 A): 2 out of 17 assignments used, quality = 1.00: * QD1 LEU 22 + HB3 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 QG1 VAL 118 + HB2 LEU 122 OK 87 92 100 95 1.5-3.5 11612/3.1=20...(33) QG2 VAL 20 - HB3 LEU 22 poor 20 99 20 - 2.6-9.2 QD2 LEU 123 - HB2 LEU 122 poor 18 92 20 - 4.0-6.5 QD1 LEU 62 - HB2 LEU 122 poor 10 59 40 44 3.9-7.4 11748/3.5=5, ~10992=4...(21) QG1 VAL 20 - HB3 LEU 22 far 8 81 10 - 3.7-9.4 QD2 LEU 98 - HB2 LEU 122 lone 4 92 25 18 4.3-9.0 11478/11374=6...(6) QG2 VAL 63 - HB2 LEU 122 far 0 66 0 - 5.4-8.3 QD1 LEU 49 - HB2 LEU 122 far 0 61 0 - 5.6-8.5 QD1 LEU 98 - HB2 LEU 122 far 0 54 0 - 5.6-9.7 QD2 LEU 69 - HB2 LEU 122 far 0 70 0 - 6.4-10.9 QD1 LEU 48 - HB3 LEU 22 far 0 78 0 - 7.4-24.0 QD1 LEU 98 - HB3 LEU 22 far 0 63 0 - 8.1-33.3 QG1 VAL 118 - HB3 LEU 22 far 0 99 0 - 9.1-27.5 QD1 LEU 48 - HB2 LEU 122 far 0 68 0 - 9.1-15.3 QD2 LEU 48 - HB2 LEU 122 far 0 90 0 - 9.2-14.1 QD2 LEU 48 - HB3 LEU 22 far 0 99 0 - 9.3-24.3 Violated in 0 structures by 0.00 A. Peak 393 from aliabs.peaks (4.26, 1.62, 26.83 ppm; 5.17 A): 8 out of 57 assignments used, quality = 1.00: * HA LEU 22 + HG LEU 22 OK 100 100 100 100 2.2-4.1 4.3=100 HA ARG 23 + HG LEU 22 OK 94 95 100 100 5.4-6.6 10728/5.1=62, ~6200=53...(22) HA ARG 23 + HG3 ARG 23 OK 88 88 100 100 2.9-4.1 3.8=100 HA LEU 22 + HG3 ARG 23 OK 69 96 75 96 3.9-7.1 375/5.0=76, 370/1.8=35...(15) HA ARG 84 + HG2 ARG 84 OK 55 55 100 100 2.5-4.0 3.9=100 HA LYS 19 + HG LEU 22 OK 50 99 75 67 2.6-10.7 409/2.1=21, ~10720=11...(17) HA ARG 84 + HG3 ARG 84 OK 45 45 100 100 2.7-4.2 3.9=100 HA ALA 21 + HG LEU 22 OK 37 57 90 72 3.7-7.2 3.6/6189=43, 401/2.1=15...(9) HA ALA 28 - HG3 ARG 23 poor 18 74 25 - 3.4-15.3 HA ALA 21 - HG3 ARG 23 poor 17 52 65 51 3.9-8.3 3.6/392=19, ~1564=15...(9) HA SER 74 - HG LEU 70 poor 15 59 25 - 6.0-9.5 HA LYS 26 - HG3 ARG 23 far 10 96 10 - 5.9-12.3 HA LYS 19 - HG3 ARG 23 far 9 95 10 - 5.1-11.2 HA ALA 28 - HG LEU 22 far 8 81 10 - 5.8-19.0 HA GLN 27 - HG3 ARG 23 far 8 80 10 - 5.2-13.7 HA SER 94 - HG LEU 70 far 7 50 15 - 6.1-10.1 HA THR 25 - HG3 ARG 23 far 6 64 10 - 6.4-10.0 HA ALA 108 - HG LEU 22 far 5 96 5 - 6.4-44.6 HB THR 115 - HG LEU 119 far 5 93 5 - 5.7-9.3 HA THR 18 - HG LEU 22 lone 5 90 45 11 2.0-11.5 3.6/460=4, 10685/2.1=3...(4) HA ALA 108 - HG3 ARG 23 far 4 90 5 - 4.7-42.7 HA ALA 109 - HG LEU 119 far 4 88 5 - 6.1-13.4 HA GLN 61 - HG3 ARG 23 far 4 87 5 - 6.3-26.1 HA ALA 15 - HG3 ARG 23 far 4 87 5 - 6.4-17.3 HA THR 18 - HG3 ARG 23 far 4 84 5 - 6.4-12.0 HA ALA 12 - HG LEU 22 far 4 83 5 - 5.1-18.4 HA LYS 36 - HG3 ARG 23 far 4 78 5 - 5.1-28.6 HA ALA 110 - HG3 ARG 23 far 4 78 5 - 5.6-46.2 HA ALA 110 - HG LEU 119 far 4 76 5 - 6.2-14.7 HA SER 124 - HG LEU 122 far 0 44 0 - 6.8-9.1 HA ALA 16 - HG3 ARG 23 far 0 91 0 - 6.9-16.3 HA ALA 109 - HG3 ARG 23 far 0 90 0 - 7.0-45.1 HA ALA 15 - HG LEU 22 far 0 93 0 - 7.1-17.0 HA ALA 108 - HG LEU 122 far 0 58 0 - 7.2-16.6 HA ALA 108 - HG LEU 119 far 0 88 0 - 7.3-15.2 HA ALA 108 - HG LEU 70 far 0 78 0 - 7.3-16.3 HA ALA 110 - HG LEU 22 far 0 85 0 - 7.3-47.7 HA ALA 16 - HG LEU 22 far 0 97 0 - 7.4-15.7 HA PHE 87 - HG2 ARG 84 far 0 71 0 - 7.7-9.7 HA GLN 61 - HG LEU 22 far 0 93 0 - 7.7-28.0 HA LYS 31 - HG LEU 22 far 0 100 0 - 7.8-23.7 HA LYS 31 - HG3 ARG 23 far 0 95 0 - 7.8-22.1 HA LYS 36 - HG LEU 22 far 0 85 0 - 7.9-33.9 HA PHE 87 - HG3 ARG 84 far 0 60 0 - 7.9-9.7 HA ALA 109 - HG LEU 22 far 0 96 0 - 8.0-46.5 HA ALA 12 - HG3 ARG 23 far 0 76 0 - 8.1-18.2 HA GLN 27 - HG LEU 22 far 0 87 0 - 8.3-16.7 HA GLN 27 - HG LEU 70 far 0 69 0 - 8.4-21.0 HA ALA 28 - HG LEU 70 far 0 63 0 - 8.6-21.0 HA GLN 61 - HG LEU 119 far 0 85 0 - 9.2-16.5 HA THR 25 - HG LEU 22 far 0 71 0 - 9.2-11.7 HA LYS 26 - HG LEU 22 far 0 100 0 - 9.3-13.8 HA SER 94 - HG LEU 122 far 0 36 0 - 9.4-12.7 HA GLN 61 - HG LEU 122 far 0 56 0 - 9.5-13.6 HA ALA 21 - HG LEU 119 far 0 50 0 - 9.5-37.7 HA GLN 27 - HG LEU 122 far 0 50 0 - 9.5-21.8 HA LYS 31 - HG LEU 70 far 0 85 0 - 9.5-19.6 Violated in 0 structures by 0.00 A. Peak 394 from aliabs.peaks (1.54, 1.62, 26.83 ppm; 4.74 A): 8 out of 22 assignments used, quality = 1.00: * HB2 LEU 22 + HG LEU 22 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 LEU 119 + HG LEU 119 OK 95 95 100 100 2.3-3.0 2.9=100 HG2 ARG 23 + HG3 ARG 23 OK 78 78 100 100 1.8-1.8 1.8=100 HB2 LEU 22 + HG3 ARG 23 OK 73 96 80 95 2.7-7.3 6197/5.0=56, 377/3.8=34...(23) HG2 ARG 23 + HG LEU 22 OK 51 85 75 80 3.4-7.5 370/4.3=22, 6205/452=20...(20) HG LEU 123 + HG LEU 119 OK 34 70 50 97 4.7-8.8 3791/2.1=25, 3756/3.7=22...(29) HB2 LEU 53 + HG LEU 119 OK 23 68 35 99 4.2-11.5 ~11621=49, ~1641=21...(40) HG LEU 69 + HG LEU 70 OK 23 45 55 94 2.9-9.5 6943/6949=29...(20) HG LEU 123 - HG LEU 122 poor 20 44 45 - 3.1-8.0 HG LEU 103 - HG LEU 122 poor 19 55 35 - 5.2-9.4 HB2 LEU 119 - HG LEU 122 far 10 65 15 - 5.7-8.6 HG LEU 103 - HG LEU 119 lone 5 84 30 20 4.9-10.5 3395/10221=8, ~3409=4...(5) HB2 LEU 53 - HG LEU 122 far 4 42 10 - 5.1-12.7 HG LEU 69 - HG LEU 122 far 2 32 5 - 6.1-9.8 HG13 ILE 37 - HG3 ARG 23 far 0 92 0 - 6.9-28.7 HG LEU 49 - HG LEU 122 far 0 34 0 - 6.9-10.4 HG LEU 49 - HG LEU 70 far 0 48 0 - 8.0-13.9 HG13 ILE 37 - HG LEU 70 far 0 81 0 - 8.1-15.4 HG LEU 103 - HG LEU 70 far 0 74 0 - 8.3-12.0 HB3 LEU 42 - HG LEU 70 far 0 86 0 - 9.2-13.9 HG LEU 123 - HG LEU 70 far 0 61 0 - 9.2-13.6 HG LEU 103 - HG3 ARG 23 far 0 86 0 - 9.4-34.1 Violated in 0 structures by 0.00 A. Peak 395 from aliabs.peaks (1.62, 1.62, 26.83 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HG LEU 22 + HG LEU 22 OK 100 100 - 100 HG3 ARG 23 + HG3 ARG 23 OK 96 96 - 100 HG LEU 119 + HG LEU 119 OK 94 94 - 100 HG LEU 70 + HG LEU 70 OK 85 85 - 100 HG LEU 122 + HG LEU 122 OK 58 58 - 100 HG2 ARG 84 + HG2 ARG 84 OK 53 53 - 100 HG3 ARG 84 + HG3 ARG 84 OK 39 39 - 100 Reference assignment not found: HB3 LEU 22 - HG LEU 22 Peak 396 from aliabs.peaks (1.62, 1.62, 26.83 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG LEU 22 + HG LEU 22 OK 100 100 - 100 HG3 ARG 23 + HG3 ARG 23 OK 96 96 - 100 HG LEU 119 + HG LEU 119 OK 95 95 - 100 HG LEU 70 + HG LEU 70 OK 82 82 - 100 HG2 ARG 84 + HG2 ARG 84 OK 60 60 - 100 HG LEU 122 + HG LEU 122 OK 53 53 - 100 HG3 ARG 84 + HG3 ARG 84 OK 45 45 - 100 Peak 397 from aliabs.peaks (0.84, 1.62, 26.83 ppm; 3.43 A): 4 out of 36 assignments used, quality = 1.00: * QD2 LEU 22 + HG LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 70 OK 72 72 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 70 OK 45 45 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 122 OK 28 53 60 87 3.2-7.7 2272=27, 2273/2.1=14...(34) QD1 LEU 70 - HG LEU 122 poor 18 32 70 79 2.5-8.1 2.1/2272=21, ~2273=8...(29) QD2 LEU 22 - HG3 ARG 23 far 10 96 10 - 2.0-7.9 QG2 ILE 80 - HG2 ARG 84 poor 8 42 20 - 4.7-9.9 QD2 LEU 69 - HG LEU 70 far 8 54 15 - 3.6-8.1 QG2 ILE 32 - HG3 ARG 23 far 5 96 5 - 4.6-18.9 QG2 VAL 57 - HG LEU 119 lone 3 82 25 12 4.6-10.9 9319/2001=6, 1806/2.1=3...(4) QD2 LEU 69 - HG LEU 122 far 0 39 0 - 5.2-9.6 QG2 ILE 80 - HG3 ARG 84 far 0 34 0 - 5.3-9.8 QG2 ILE 32 - HG LEU 70 far 0 86 0 - 6.5-12.8 QG2 ILE 129 - HG LEU 70 far 0 71 0 - 6.6-8.9 QD1 LEU 98 - HG LEU 122 far 0 50 0 - 6.7-11.8 QG2 VAL 57 - HG LEU 122 far 0 53 0 - 7.1-9.9 QG1 VAL 133 - HG3 ARG 84 far 0 61 0 - 7.3-11.5 HG13 ILE 80 - HG3 ARG 84 far 0 30 0 - 7.3-11.7 QD1 LEU 98 - HG3 ARG 23 far 0 80 0 - 7.3-33.3 HG13 ILE 80 - HG2 ARG 84 far 0 37 0 - 7.5-11.8 QD1 LEU 98 - HG LEU 70 far 0 69 0 - 8.0-10.9 QG1 VAL 133 - HG2 ARG 84 far 0 73 0 - 8.0-12.1 QD1 LEU 70 - HG LEU 119 far 0 53 0 - 8.4-12.7 QG2 ILE 129 - HG3 ARG 84 far 0 48 0 - 8.4-12.0 QD2 LEU 69 - HG LEU 119 far 0 63 0 - 8.5-15.1 QD2 LEU 70 - HG LEU 119 far 0 82 0 - 8.6-12.3 QG2 ILE 32 - HG LEU 22 far 0 100 0 - 8.7-21.1 QG2 ILE 129 - HG2 ARG 84 far 0 58 0 - 8.8-12.2 QG2 VAL 57 - HG LEU 22 far 0 90 0 - 8.9-26.3 QD1 LEU 98 - HG LEU 119 far 0 78 0 - 8.9-14.0 QD1 LEU 98 - HG LEU 22 far 0 87 0 - 9.2-35.5 QG2 ILE 129 - HG LEU 122 far 0 52 0 - 9.3-10.9 QG2 ILE 32 - HG LEU 122 far 0 65 0 - 9.4-15.7 QG2 VAL 57 - HG3 ARG 23 far 0 84 0 - 9.5-26.3 QG1 VAL 133 - HG LEU 70 far 0 86 0 - 9.6-11.6 QG2 ILE 80 - HG LEU 70 far 0 52 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 398 from aliabs.peaks (0.89, 1.62, 26.83 ppm; 4.03 A): 9 out of 47 assignments used, quality = 1.00: * QD1 LEU 22 + HG LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 118 + HG LEU 119 OK 83 93 95 94 3.5-5.6 4.1/3781=44, ~11624=24...(18) QG2 VAL 20 + HG3 ARG 23 OK 66 95 75 93 1.8-8.8 ~10713=28, 11844/3.0=25...(25) QG1 VAL 118 + HG LEU 122 OK 62 64 100 98 1.9-4.9 11612/2.1=30, 390/3.0=30...(31) QD1 LEU 62 + HG LEU 119 OK 56 60 95 97 2.2-7.9 ~10992=26, ~3793=20...(32) QD2 LEU 123 + HG LEU 122 OK 42 64 80 82 1.9-6.0 11422/2.1=24...(23) QG2 VAL 20 + HG LEU 22 OK 29 99 45 65 3.3-7.3 ~10690=35, 6192/5.1=11...(15) QG1 VAL 20 + HG3 ARG 23 OK 26 74 40 88 1.9-9.3 10713/1.8=31, ~11844=18...(23) QD1 LEU 22 + HG3 ARG 23 OK 24 96 35 72 3.3-8.3 10727/3.8=19...(16) QG1 VAL 20 - HG LEU 22 poor 20 81 40 61 4.3-8.0 ~10690=35, 6192/5.1=10...(15) QD1 LEU 62 - HG LEU 122 poor 16 37 80 54 2.5-6.3 ~10992=8, ~9395=8...(19) QD2 LEU 69 - HG LEU 70 poor 16 63 25 - 3.6-8.1 QD2 LEU 123 - HG LEU 119 far 14 94 15 - 4.7-7.9 QD1 LEU 49 - HG LEU 122 poor 14 39 35 - 4.1-7.1 QG2 VAL 63 - HG LEU 122 poor 11 42 25 - 4.0-8.6 QD2 LEU 69 - HG LEU 122 poor 9 46 20 - 5.2-9.6 QG2 VAL 63 - HG LEU 119 lone 6 68 50 19 3.7-10.1 11012/1985=6, 3.7/6808=3...(7) QD2 LEU 98 - HG LEU 122 far 6 64 10 - 4.6-10.3 QD2 LEU 98 - HG LEU 70 far 4 85 5 - 5.5-8.9 QD1 LEU 48 - HG LEU 22 far 4 78 5 - 5.3-25.2 QD2 LEU 123 - HG LEU 70 far 0 85 0 - 6.0-10.1 QD1 LEU 62 - HG LEU 70 far 0 52 0 - 6.2-10.9 QG1 VAL 118 - HG LEU 70 far 0 84 0 - 6.3-8.2 QD1 LEU 49 - HG LEU 70 far 0 54 0 - 6.4-11.3 QG2 VAL 63 - HG LEU 70 far 0 59 0 - 6.7-9.5 QD1 LEU 98 - HG LEU 122 far 0 34 0 - 6.7-11.8 QD1 LEU 48 - HG LEU 70 far 0 61 0 - 7.0-15.7 QD1 LEU 49 - HG LEU 119 far 0 63 0 - 7.0-11.6 QD1 LEU 48 - HG LEU 122 far 0 44 0 - 7.1-13.9 QD1 LEU 98 - HG3 ARG 23 far 0 57 0 - 7.3-33.3 QD2 LEU 48 - HG LEU 22 far 0 99 0 - 7.5-24.1 QD2 LEU 48 - HG LEU 122 far 0 62 0 - 7.6-12.5 QD1 LEU 48 - HG3 ARG 23 far 0 72 0 - 7.7-23.1 QD1 LEU 98 - HG LEU 70 far 0 48 0 - 8.0-10.9 QG1 VAL 118 - HG3 ARG 23 far 0 95 0 - 8.0-28.7 QD2 LEU 48 - HG3 ARG 23 far 0 94 0 - 8.1-23.1 QD2 LEU 48 - HG LEU 119 far 0 92 0 - 8.1-15.3 QD2 LEU 98 - HG LEU 119 far 0 94 0 - 8.3-13.7 QG2 VAL 63 - HG3 ARG 23 far 0 69 0 - 8.3-26.5 QD2 LEU 98 - HG3 ARG 23 far 0 95 0 - 8.4-31.0 QD2 LEU 69 - HG LEU 119 far 0 72 0 - 8.5-15.1 QD2 LEU 48 - HG LEU 70 far 0 83 0 - 8.7-14.3 QD1 LEU 48 - HG LEU 119 far 0 70 0 - 8.8-15.9 QD1 LEU 98 - HG LEU 119 far 0 55 0 - 8.9-14.0 QD1 LEU 98 - HG LEU 22 far 0 63 0 - 9.2-35.5 QG1 VAL 118 - HG LEU 22 far 0 99 0 - 9.6-29.8 QG1 VAL 20 - HG LEU 122 far 0 46 0 - 9.8-30.8 Violated in 0 structures by 0.00 A. Peak 401 from aliabs.peaks (4.26, 0.84, 23.20 ppm; 3.02 A): 1 out of 19 assignments used, quality = 1.00: * HA LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.0-3.5 373=91, 2.9/402=48...(21) HA ALA 21 - QD2 LEU 22 poor 14 57 75 33 3.8-6.2 3.6/400=22, ~6178=3...(7) HA THR 18 - QD2 LEU 22 far 14 90 15 - 3.2-10.8 HA LYS 19 - QD2 LEU 22 poor 11 99 45 24 3.1-9.5 409/2.1=9, ~10720=3...(10) HA ARG 23 - QD2 LEU 22 far 5 95 5 - 3.9-6.2 HA ALA 28 - QD2 LEU 22 far 4 81 5 - 4.5-16.6 HA ALA 12 - QD2 LEU 22 far 0 83 0 - 4.7-16.7 HA ALA 108 - QD2 LEU 22 far 0 96 0 - 5.1-37.1 HA GLN 61 - QD2 LEU 22 far 0 93 0 - 5.1-23.9 HA ALA 110 - QD2 LEU 22 far 0 85 0 - 5.6-39.8 HA ALA 109 - QD2 LEU 22 far 0 96 0 - 5.8-38.6 HA THR 25 - QD2 LEU 22 far 0 71 0 - 7.2-10.6 HA ALA 15 - QD2 LEU 22 far 0 93 0 - 7.5-16.0 HA GLN 27 - QD2 LEU 22 far 0 87 0 - 7.8-14.8 HA LYS 36 - QD2 LEU 22 far 0 85 0 - 8.0-29.0 HA ALA 16 - QD2 LEU 22 far 0 97 0 - 8.1-14.5 HA LYS 31 - QD2 LEU 22 far 0 100 0 - 8.3-19.6 HA LYS 26 - QD2 LEU 22 far 0 100 0 - 8.7-12.0 HB THR 115 - QD2 LEU 22 far 0 99 0 - 9.8-35.8 Violated in 4 structures by 0.05 A. Peak 402 from aliabs.peaks (1.54, 0.84, 23.20 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 HG2 ARG 23 - QD2 LEU 22 far 8 85 10 - 2.2-6.8 Violated in 0 structures by 0.00 A. Peak 403 from aliabs.peaks (1.62, 0.84, 23.20 ppm; 3.12 A): 2 out of 5 assignments used, quality = 1.00: HG LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 * HB3 LEU 22 + QD2 LEU 22 OK 99 100 100 99 2.0-3.2 3.1=99 HG3 ARG 23 - QD2 LEU 22 far 10 100 10 - 2.0-7.9 HB2 LEU 98 - QD2 LEU 22 far 0 60 0 - 8.2-34.4 HG LEU 62 - QD2 LEU 22 far 0 63 0 - 9.9-26.3 Violated in 0 structures by 0.00 A. Peak 404 from aliabs.peaks (1.62, 0.84, 23.20 ppm; 2.75 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 22 + QD2 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 22 + QD2 LEU 22 OK 98 100 100 98 2.0-3.2 3.1=68, 1.8/402=57...(17) HG3 ARG 23 - QD2 LEU 22 far 10 100 10 - 2.0-7.9 HD3 LYS 19 - QD2 LEU 22 far 3 65 5 - 3.8-10.6 HD2 LYS 19 - QD2 LEU 22 far 3 60 5 - 4.0-11.2 HB2 LEU 98 - QD2 LEU 22 far 0 71 0 - 8.2-34.4 HG LEU 62 - QD2 LEU 22 far 0 73 0 - 9.9-26.3 Violated in 0 structures by 0.00 A. Peak 405 from aliabs.peaks (0.84, 0.84, 23.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 22 + QD2 LEU 22 OK 100 100 - 100 Peak 406 from aliabs.peaks (0.89, 0.84, 23.20 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 22 + QD2 LEU 22 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 20 - QD2 LEU 22 poor 20 99 20 - 1.8-7.7 QG1 VAL 20 - QD2 LEU 22 far 0 81 0 - 4.1-8.3 QD1 LEU 48 - QD2 LEU 22 far 0 78 0 - 5.9-20.3 QD2 LEU 48 - QD2 LEU 22 far 0 99 0 - 7.1-20.1 QD1 LEU 98 - QD2 LEU 22 far 0 63 0 - 7.4-29.5 QG1 VAL 118 - QD2 LEU 22 far 0 99 0 - 7.4-24.7 QD2 LEU 98 - QD2 LEU 22 far 0 100 0 - 9.0-27.7 QG2 VAL 63 - QD2 LEU 22 far 0 76 0 - 9.1-23.2 QD1 LEU 62 - QD2 LEU 22 far 0 68 0 - 9.3-23.1 Violated in 0 structures by 0.00 A. Peak 409 from aliabs.peaks (4.26, 0.89, 24.55 ppm; 3.37 A): 3 out of 18 assignments used, quality = 1.00: * HA LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.5-4.1 374=74, 373/2.1=72...(24) HA LYS 19 + QD1 LEU 22 OK 25 99 65 39 1.9-9.6 11764=8, 401/2.1=7...(12) HA ARG 23 + QD1 LEU 22 OK 22 95 25 94 4.7-7.0 10728/4.9=27, 377/3.1=22...(22) HA THR 18 - QD1 LEU 22 far 9 90 10 - 2.1-9.8 HA ALA 21 - QD1 LEU 22 far 9 57 15 - 3.4-6.7 HA ALA 12 - QD1 LEU 22 far 4 83 5 - 3.6-16.9 HA ALA 15 - QD1 LEU 22 far 0 93 0 - 4.9-15.0 HA ALA 108 - QD1 LEU 22 far 0 96 0 - 5.3-36.7 HA ALA 28 - QD1 LEU 22 far 0 81 0 - 5.7-16.4 HA GLN 61 - QD1 LEU 22 far 0 93 0 - 5.7-24.2 HA ALA 110 - QD1 LEU 22 far 0 85 0 - 6.7-39.1 HA THR 25 - QD1 LEU 22 far 0 71 0 - 6.7-10.6 HA GLN 27 - QD1 LEU 22 far 0 87 0 - 6.9-14.2 HA ALA 16 - QD1 LEU 22 far 0 97 0 - 7.1-14.0 HA ALA 109 - QD1 LEU 22 far 0 96 0 - 7.3-38.1 HA LYS 31 - QD1 LEU 22 far 0 100 0 - 7.7-19.4 HA LYS 36 - QD1 LEU 22 far 0 85 0 - 7.9-29.6 HA LYS 26 - QD1 LEU 22 far 0 100 0 - 8.0-11.2 Violated in 10 structures by 0.09 A. Peak 410 from aliabs.peaks (1.54, 0.89, 24.55 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.0-3.2 3.1=100 HG2 ARG 23 - QD1 LEU 22 poor 15 85 30 60 2.6-7.8 6205/6201=13...(19) HG LEU 103 - QD1 LEU 22 far 0 92 0 - 9.2-29.1 Violated in 0 structures by 0.00 A. Peak 411 from aliabs.peaks (1.62, 0.89, 24.55 ppm; 2.95 A): 2 out of 5 assignments used, quality = 1.00: HG LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 * HB3 LEU 22 + QD1 LEU 22 OK 99 100 100 99 2.0-3.2 3.1=84, 2.9/374=35...(20) HG3 ARG 23 - QD1 LEU 22 poor 20 100 20 - 3.3-8.3 HG LEU 62 - QD1 LEU 22 far 0 63 0 - 9.2-26.5 HB2 LEU 98 - QD1 LEU 22 far 0 60 0 - 9.6-34.3 Violated in 0 structures by 0.00 A. Peak 412 from aliabs.peaks (1.62, 0.89, 24.55 ppm; 2.95 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 22 + QD1 LEU 22 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 22 + QD1 LEU 22 OK 99 100 100 99 2.0-3.2 3.1=84, 2.9/374=35...(20) HG3 ARG 23 - QD1 LEU 22 poor 20 100 20 - 3.3-8.3 HD3 LYS 19 - QD1 LEU 22 poor 16 65 25 - 2.4-11.9 HD2 LYS 19 - QD1 LEU 22 far 6 60 10 - 2.0-11.0 HG LEU 62 - QD1 LEU 22 far 0 73 0 - 9.2-26.5 HB2 LEU 98 - QD1 LEU 22 far 0 71 0 - 9.6-34.3 Violated in 0 structures by 0.00 A. Peak 413 from aliabs.peaks (0.84, 0.89, 24.55 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 22 + QD1 LEU 22 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 57 - QD1 LEU 22 far 0 90 0 - 6.6-23.0 QG2 ILE 32 - QD1 LEU 22 far 0 100 0 - 7.2-17.9 QD1 LEU 98 - QD1 LEU 22 far 0 87 0 - 8.7-29.5 Violated in 0 structures by 0.00 A. Peak 414 from aliabs.peaks (0.89, 0.89, 24.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 22 + QD1 LEU 22 OK 100 100 - 100 Peak 416 from aliabs.peaks (8.26, 4.28, 55.92 ppm; 5.59 A): 4 out of 18 assignments used, quality = 1.00: * H ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-2.9 2.9=100 H GLU 30 + HA LYS 31 OK 48 54 100 89 4.5-5.4 ~759=40, ~6325=35...(13) H LYS 31 + HA LYS 31 OK 27 27 100 100 2.8-2.9 3.0=100 H ARG 23 + HA LYS 19 OK 21 63 75 45 3.8-11.0 6201/409=8, 6200/401=7...(11) H ALA 29 - HA LYS 31 poor 17 48 35 - 6.5-8.1 H LYS 31 - HA ARG 23 poor 15 60 25 - 5.3-16.5 H ALA 29 - HA LYS 26 poor 14 44 65 48 3.4-9.7 ~10733=31, 3.7/793=6...(9) H LYS 31 - HA LYS 26 poor 13 24 55 - 1.9-12.2 H GLU 30 - HA ARG 23 far 10 99 10 - 4.6-14.8 H GLU 30 - HA LYS 26 poor 6 50 55 22 2.7-10.5 4.6/6330=7...(7) H ARG 23 - HA LYS 26 far 5 51 10 - 6.4-9.8 H ARG 23 - HA LYS 31 far 3 56 5 - 6.8-20.6 H LYS 31 - HA LYS 19 far 2 31 5 - 6.0-23.5 H ALA 29 - HA ARG 23 lone 0 95 25 2 4.5-12.4 H ALA 29 - HA LYS 19 far 0 55 0 - 7.9-20.7 H GLU 30 - HA LYS 19 far 0 62 0 - 7.9-21.8 H GLU 40 - HA ARG 23 far 0 68 0 - 8.7-31.4 H GLU 40 - HA LYS 19 far 0 36 0 - 9.2-38.7 Violated in 0 structures by 0.00 A. Peak 417 from aliabs.peaks (4.28, 4.28, 55.92 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA ARG 23 + HA ARG 23 OK 100 100 - 100 HA LYS 19 + HA LYS 19 OK 61 61 - 100 HA LYS 31 + HA LYS 31 OK 53 53 - 100 HA LYS 26 + HA LYS 26 OK 47 47 - 100 Peak 418 from aliabs.peaks (1.75, 4.28, 55.92 ppm; 3.26 A): 4 out of 25 assignments used, quality = 1.00: * HB2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 19 + HA LYS 19 OK 59 59 100 100 3.0-3.0 3.0=100 HB2 LYS 31 + HA LYS 31 OK 52 52 100 100 2.3-3.0 3.0=100 HB2 LYS 26 + HA LYS 26 OK 49 49 100 100 2.2-3.0 3.0=100 HB2 LYS 26 - HA ARG 23 poor 20 99 20 - 2.1-11.0 HB2 LYS 31 - HA LYS 26 poor 19 48 40 - 2.0-13.6 HB2 LYS 24 - HA LYS 19 poor 18 60 30 - 2.2-13.5 HB2 LYS 26 - HA LYS 31 poor 11 53 20 - 4.1-14.6 HB2 ARG 23 - HA LYS 26 far 5 51 10 - 4.3-10.5 HB2 LYS 31 - HA ARG 23 far 5 98 5 - 4.7-18.9 HB2 LYS 19 - HA LYS 31 far 3 52 5 - 2.8-25.6 HB2 LYS 19 - HA LYS 26 far 2 48 5 - 3.8-20.4 HB2 LYS 19 - HA ARG 23 far 0 98 0 - 4.8-14.4 HB2 LYS 24 - HA ARG 23 far 0 99 0 - 4.9-6.5 HB2 LYS 26 - HA LYS 19 far 0 61 0 - 5.3-21.5 HB2 LYS 24 - HA LYS 26 far 0 48 0 - 5.4-8.8 HB2 LYS 31 - HA LYS 19 far 0 59 0 - 5.5-26.5 HB2 ARG 23 - HA LYS 19 far 0 63 0 - 6.0-11.8 HB2 LEU 48 - HA LYS 26 far 0 27 0 - 6.1-27.4 HB2 LYS 24 - HA LYS 31 far 0 53 0 - 6.3-18.8 HB2 ARG 23 - HA LYS 31 far 0 56 0 - 6.6-20.9 HB2 LEU 48 - HA LYS 19 far 0 34 0 - 7.7-34.9 HB2 LYS 39 - HA LYS 19 far 0 59 0 - 8.4-39.1 HB2 LEU 48 - HA ARG 23 far 0 65 0 - 8.7-27.8 HG LEU 100 - HA LYS 26 far 0 35 0 - 9.3-21.3 Violated in 0 structures by 0.00 A. Peak 419 from aliabs.peaks (1.82, 4.28, 55.92 ppm; 3.22 A): 4 out of 29 assignments used, quality = 1.00: * HB3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 58 58 100 100 2.3-2.7 3.0=100 HB3 LYS 31 + HA LYS 31 OK 54 54 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HA LYS 26 OK 51 51 100 100 2.2-3.0 3.0=100 HB3 LYS 31 - HA LYS 26 poor 20 50 40 - 2.7-15.0 HB3 LYS 24 - HA LYS 19 poor 19 63 30 - 2.0-13.2 HB3 LYS 24 - HA ARG 23 far 15 100 15 - 4.4-6.2 HB3 LYS 19 - HA ARG 23 far 14 97 15 - 4.3-14.0 HB3 LYS 26 - HA LYS 31 poor 11 55 20 - 4.4-15.8 HB3 LYS 31 - HA ARG 23 far 5 99 5 - 4.2-18.6 HB3 LYS 31 - HA LYS 19 far 3 62 5 - 3.9-25.7 HB3 LYS 26 - HA ARG 23 lone 3 100 25 10 2.0-11.3 6251/424=3, 511/6240=2...(4) HB3 ARG 23 - HA LYS 26 far 3 51 5 - 4.4-10.8 HB3 LYS 19 - HA LYS 31 far 3 50 5 - 4.5-26.9 HB ILE 32 - HA LYS 26 far 0 49 0 - 4.8-15.1 HB3 LYS 19 - HA LYS 26 far 0 46 0 - 5.0-20.0 HB ILE 32 - HA LYS 31 far 0 53 0 - 5.1-6.1 HB2 LYS 36 - HA LYS 31 far 0 56 0 - 5.5-14.2 HB3 LYS 26 - HA LYS 19 far 0 63 0 - 5.6-21.5 HB3 ARG 23 - HA LYS 19 far 0 63 0 - 5.9-12.8 HB3 LYS 24 - HA LYS 26 far 0 50 0 - 6.1-8.8 HB2 LYS 36 - HA ARG 23 far 0 100 0 - 6.5-28.2 HB3 ARG 23 - HA LYS 31 far 0 56 0 - 7.1-20.6 HB2 LYS 36 - HA LYS 26 far 0 51 0 - 7.2-24.7 HB3 LYS 24 - HA LYS 31 far 0 55 0 - 7.6-18.1 HB ILE 32 - HA ARG 23 far 0 99 0 - 7.7-18.8 HB2 LYS 36 - HA LYS 19 far 0 63 0 - 7.9-35.2 HB2 CYS 79 - HA LYS 19 far 0 57 0 - 8.5-37.3 HB3 LEU 103 - HA LYS 26 far 0 30 0 - 8.8-25.1 Violated in 0 structures by 0.00 A. Peak 420 from aliabs.peaks (1.56, 4.28, 55.92 ppm; 3.93 A): 2 out of 16 assignments used, quality = 1.00: * HG2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.2-3.8 3.8=100 HB2 LEU 22 + HA ARG 23 OK 84 85 100 99 3.7-5.4 6197/2.9=56...(25) HB2 LEU 22 - HA LYS 19 poor 19 47 40 - 2.9-11.0 HG2 ARG 23 - HA LYS 19 far 3 63 5 - 4.1-11.4 HG2 ARG 23 - HA LYS 26 far 0 51 0 - 6.5-11.2 HG2 ARG 23 - HA LYS 31 far 0 56 0 - 7.4-22.1 HB2 LEU 22 - HA LYS 26 far 0 38 0 - 7.6-11.3 HB2 LEU 22 - HA LYS 31 far 0 41 0 - 7.6-21.7 HG13 ILE 37 - HA LYS 26 far 0 48 0 - 8.6-21.9 HG LEU 103 - HA LYS 26 far 0 50 0 - 8.8-25.0 HG13 ILE 37 - HA LYS 19 far 0 59 0 - 8.8-33.9 HG13 ILE 37 - HA LYS 31 far 0 52 0 - 9.0-13.8 HG LEU 49 - HA LYS 26 far 0 48 0 - 9.4-22.2 HB2 LEU 103 - HA LYS 26 far 0 43 0 - 9.5-26.3 HG LEU 103 - HA ARG 23 far 0 100 0 - 10.0-30.7 HG13 ILE 37 - HA ARG 23 far 0 98 0 - 10.0-25.8 Violated in 0 structures by 0.00 A. Peak 421 from aliabs.peaks (1.62, 4.28, 55.92 ppm; 5.17 A): 5 out of 19 assignments used, quality = 1.00: * HG3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.9-4.1 3.8=100 HG LEU 22 + HA ARG 23 OK 100 100 100 100 5.4-6.6 5.1/10728=68, ~6200=53...(22) HB3 LEU 22 + HA ARG 23 OK 100 100 100 100 4.5-6.3 4.0/10728=85, ~6197=69...(23) HD3 LYS 19 + HA LYS 19 OK 33 33 100 100 2.0-4.8 5.2=100 HG LEU 22 + HA LYS 19 OK 32 63 75 67 2.6-10.7 2.1/409=20, ~10720=11...(14) HB3 LEU 22 - HA LYS 19 poor 17 63 45 60 4.7-10.1 3.1/409=18, ~10720=8...(14) HD3 LYS 19 - HA ARG 23 far 9 63 15 - 6.1-16.1 HG3 ARG 23 - HA LYS 19 far 6 63 10 - 5.1-11.2 HG3 ARG 23 - HA LYS 26 far 5 51 10 - 5.9-12.3 HB2 LEU 98 - HA ARG 23 far 3 68 5 - 5.9-35.9 HD3 LYS 19 - HA LYS 31 far 1 28 5 - 3.5-28.9 HD3 LYS 19 - HA LYS 26 far 0 26 0 - 7.0-22.3 HG LEU 22 - HA LYS 31 far 0 56 0 - 7.8-23.7 HB2 LEU 98 - HA LYS 26 far 0 28 0 - 7.8-30.2 HG3 ARG 23 - HA LYS 31 far 0 56 0 - 7.8-22.1 HB3 LEU 22 - HA LYS 26 far 0 51 0 - 7.9-12.0 HG LEU 22 - HA LYS 26 far 0 51 0 - 9.3-13.8 HB3 LEU 22 - HA LYS 31 far 0 55 0 - 9.4-21.6 HG LEU 70 - HA LYS 31 far 0 53 0 - 9.5-19.6 Violated in 0 structures by 0.00 A. Peak 422 from aliabs.peaks (3.16, 4.28, 55.92 ppm; 4.74 A): 2 out of 19 assignments used, quality = 1.00: * HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.0-5.1 4.9=93, ~430=46...(26) HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.0-5.2 4.9=93, ~430=46...(25) HD3 ARG 23 - HA LYS 26 poor 10 51 20 - 5.4-11.9 HD2 ARG 23 - HA LYS 26 far 8 51 15 - 5.4-12.1 HB2 HIS 10 - HA LYS 19 far 6 59 10 - 5.7-18.5 HB3 HIS 7 - HA ARG 23 far 4 78 5 - 5.9-34.0 HD3 ARG 23 - HA LYS 19 far 3 63 5 - 5.0-13.6 HB3 HIS 3 - HA LYS 31 far 3 56 5 - 5.3-54.5 HD2 ARG 23 - HA LYS 31 far 3 56 5 - 5.6-23.3 HD2 ARG 23 - HA LYS 19 far 0 63 0 - 6.5-13.3 HD3 ARG 23 - HA LYS 31 far 0 55 0 - 6.5-23.2 HB2 HIS 10 - HA ARG 23 far 0 98 0 - 7.4-24.7 HB2 HIS 8 - HA ARG 23 far 0 97 0 - 7.7-31.7 HB2 HIS 8 - HA LYS 19 far 0 58 0 - 8.1-27.3 HB2 HIS 6 - HA LYS 19 far 0 62 0 - 9.0-32.1 HB2 HIS 8 - HA LYS 26 far 0 46 0 - 9.2-35.2 HB2 HIS 10 - HA LYS 26 far 0 48 0 - 9.3-28.6 HB3 HIS 3 - HA LYS 26 far 0 51 0 - 9.4-50.5 HB2 HIS 6 - HA ARG 23 far 0 100 0 - 9.9-34.7 Violated in 0 structures by 0.00 A. Peak 423 from aliabs.peaks (3.16, 4.28, 55.92 ppm; 4.74 A): 2 out of 19 assignments used, quality = 1.00: * HD3 ARG 23 + HA ARG 23 OK 100 100 100 100 3.0-5.2 4.9=93, ~430=46...(25) HD2 ARG 23 + HA ARG 23 OK 100 100 100 100 2.0-5.1 4.9=93, ~430=46...(26) HD3 ARG 23 - HA LYS 26 poor 10 51 20 - 5.4-11.9 HD2 ARG 23 - HA LYS 26 far 8 51 15 - 5.4-12.1 HB2 HIS 10 - HA LYS 19 far 6 57 10 - 5.7-18.5 HB3 HIS 7 - HA ARG 23 far 4 85 5 - 5.9-34.0 HD3 ARG 23 - HA LYS 19 far 3 63 5 - 5.0-13.6 HB3 HIS 3 - HA LYS 31 far 3 55 5 - 5.3-54.5 HD2 ARG 23 - HA LYS 31 far 3 55 5 - 5.6-23.3 HD2 ARG 23 - HA LYS 19 far 0 63 0 - 6.5-13.3 HD3 ARG 23 - HA LYS 31 far 0 56 0 - 6.5-23.2 HB2 HIS 10 - HA ARG 23 far 0 96 0 - 7.4-24.7 HB2 HIS 8 - HA ARG 23 far 0 99 0 - 7.7-31.7 HB2 HIS 8 - HA LYS 19 far 0 60 0 - 8.1-27.3 HB2 HIS 6 - HA LYS 19 far 0 63 0 - 9.0-32.1 HB2 HIS 8 - HA LYS 26 far 0 48 0 - 9.2-35.2 HB2 HIS 10 - HA LYS 26 far 0 45 0 - 9.3-28.6 HB3 HIS 3 - HA LYS 26 far 0 51 0 - 9.4-50.5 HB2 HIS 6 - HA ARG 23 far 0 100 0 - 9.9-34.7 Violated in 0 structures by 0.00 A. Peak 424 from aliabs.peaks (8.36, 4.28, 55.92 ppm; 5.45 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 24 + HA ARG 23 OK 100 100 100 100 2.3-3.4 3.6=100 H LYS 24 - HA LYS 19 poor 9 63 40 36 1.8-12.9 6211/416=7, 6223/822=6...(14) H LYS 24 - HA LYS 26 lone 4 51 55 14 5.7-8.2 10740/11763=8, 626/4.0=1 H LYS 24 - HA LYS 31 far 3 56 5 - 6.1-17.9 Violated in 0 structures by 0.00 A. Peak 426 from aliabs.peaks (4.28, 1.75, 30.64 ppm; 3.27 A): 1 out of 16 assignments used, quality = 1.00: * HA ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 22 - HB2 ARG 23 poor 19 95 20 - 4.0-6.4 HA LYS 26 - HB2 ARG 23 far 10 97 10 - 4.3-10.5 HA LYS 36 - HB2 ARG 23 far 5 99 5 - 3.7-27.0 HA ALA 110 - HB2 ARG 23 far 5 99 5 - 4.1-44.7 HA ALA 108 - HB2 ARG 23 far 0 100 0 - 4.8-41.0 HA ALA 21 - HB2 ARG 23 far 0 89 0 - 4.9-8.7 HA ALA 109 - HB2 ARG 23 far 0 100 0 - 4.9-43.5 HA THR 25 - HB2 ARG 23 far 0 96 0 - 5.9-8.3 HA LYS 19 - HB2 ARG 23 far 0 99 0 - 6.0-11.8 HA THR 18 - HB2 ARG 23 far 0 100 0 - 6.4-11.9 HA LYS 31 - HB2 ARG 23 far 0 99 0 - 6.6-20.9 HA ALA 16 - HB2 ARG 23 far 0 100 0 - 7.0-16.2 HA ALA 15 - HB2 ARG 23 far 0 100 0 - 7.6-18.1 HA GLN 61 - HB2 ARG 23 far 0 100 0 - 8.8-25.0 HA ALA 12 - HB2 ARG 23 far 0 99 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 427 from aliabs.peaks (1.75, 1.75, 30.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 Peak 428 from aliabs.peaks (1.82, 1.75, 30.64 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 26 - HB2 ARG 23 far 10 100 10 - 2.4-12.4 HB3 LYS 31 - HB2 ARG 23 far 5 99 5 - 3.6-20.4 HB3 LYS 24 - HB2 ARG 23 far 0 100 0 - 4.7-7.6 HB3 LYS 19 - HB2 ARG 23 far 0 97 0 - 5.1-13.2 HB2 LYS 36 - HB2 ARG 23 far 0 100 0 - 5.9-26.6 HB ILE 32 - HB2 ARG 23 far 0 99 0 - 7.8-20.0 Violated in 0 structures by 0.00 A. Peak 429 from aliabs.peaks (1.56, 1.75, 30.64 ppm; 3.03 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 22 - HB2 ARG 23 far 8 85 10 - 4.0-6.4 HG13 ILE 37 - HB2 ARG 23 far 0 98 0 - 7.8-26.6 Violated in 0 structures by 0.00 A. Peak 430 from aliabs.peaks (1.62, 1.75, 30.64 ppm; 2.86 A): 1 out of 5 assignments used, quality = 0.96: * HG3 ARG 23 + HB2 ARG 23 OK 96 100 100 96 2.2-3.0 3.0=88, 5.0/6203=19...(15) HB2 LEU 98 - HB2 ARG 23 far 0 68 0 - 4.5-37.2 HB3 LEU 22 - HB2 ARG 23 far 0 100 0 - 5.1-7.1 HG LEU 22 - HB2 ARG 23 far 0 100 0 - 5.4-8.0 HD3 LYS 19 - HB2 ARG 23 far 0 63 0 - 8.0-15.0 Violated in 5 structures by 0.02 A. Peak 431 from aliabs.peaks (3.16, 1.75, 30.64 ppm; 3.96 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 HIS 10 - HB2 ARG 23 far 0 98 0 - 7.6-22.0 HB2 HIS 6 - HB2 ARG 23 far 0 100 0 - 8.0-33.4 HB3 HIS 7 - HB2 ARG 23 far 0 78 0 - 8.6-32.6 HB2 HIS 8 - HB2 ARG 23 far 0 97 0 - 8.9-28.8 Violated in 0 structures by 0.00 A. Peak 432 from aliabs.peaks (3.16, 1.75, 30.64 ppm; 3.96 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HD2 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 HIS 10 - HB2 ARG 23 far 0 96 0 - 7.6-22.0 HB2 HIS 6 - HB2 ARG 23 far 0 100 0 - 8.0-33.4 HB3 HIS 7 - HB2 ARG 23 far 0 85 0 - 8.6-32.6 HB2 HIS 8 - HB2 ARG 23 far 0 99 0 - 8.9-28.8 Violated in 0 structures by 0.00 A. Peak 435 from aliabs.peaks (4.28, 1.82, 30.64 ppm; 3.44 A): 1 out of 15 assignments used, quality = 1.00: * HA ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 26 - HB3 ARG 23 far 10 97 10 - 4.4-10.8 HA THR 25 - HB3 ARG 23 far 10 96 10 - 4.7-8.6 HA LEU 22 - HB3 ARG 23 far 9 95 10 - 4.5-6.6 HA ALA 109 - HB3 ARG 23 far 5 100 5 - 4.7-42.3 HA LYS 36 - HB3 ARG 23 far 5 99 5 - 4.0-26.9 HA ALA 21 - HB3 ARG 23 far 0 89 0 - 5.1-8.6 HA ALA 110 - HB3 ARG 23 far 0 99 0 - 5.2-43.4 HA LYS 19 - HB3 ARG 23 far 0 99 0 - 5.9-12.8 HA ALA 108 - HB3 ARG 23 far 0 100 0 - 6.5-39.9 HA LYS 31 - HB3 ARG 23 far 0 99 0 - 7.1-20.6 HA THR 18 - HB3 ARG 23 far 0 100 0 - 8.0-12.4 HA ALA 15 - HB3 ARG 23 far 0 100 0 - 8.3-17.6 HA GLN 61 - HB3 ARG 23 far 0 100 0 - 8.3-23.5 HA ALA 16 - HB3 ARG 23 far 0 100 0 - 8.5-17.0 Violated in 0 structures by 0.00 A. Peak 436 from aliabs.peaks (1.75, 1.82, 30.64 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 26 - HB3 ARG 23 far 15 99 15 - 2.2-12.8 HB2 LYS 24 - HB3 ARG 23 far 0 99 0 - 5.2-7.4 HB2 LYS 31 - HB3 ARG 23 far 0 98 0 - 5.4-20.6 HB2 LYS 19 - HB3 ARG 23 far 0 98 0 - 6.1-14.6 HB ILE 80 - HB3 ARG 135 far 0 72 0 - 6.9-12.6 HB2 LYS 39 - HB3 ARG 135 far 0 82 0 - 8.4-15.3 HB2 LEU 48 - HB3 ARG 23 far 0 65 0 - 9.0-29.0 Violated in 0 structures by 0.00 A. Peak 437 from aliabs.peaks (1.82, 1.82, 30.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 HB3 ARG 135 + HB3 ARG 135 OK 87 87 - 100 Peak 438 from aliabs.peaks (1.56, 1.82, 30.64 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 22 - HB3 ARG 23 far 13 85 15 - 4.2-6.4 HG13 ILE 37 - HB3 ARG 23 far 0 98 0 - 7.0-26.6 HG LEU 103 - HB3 ARG 23 far 0 100 0 - 8.7-31.3 HB3 LEU 42 - HB3 ARG 135 far 0 68 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 439 from aliabs.peaks (1.62, 1.82, 30.64 ppm; 3.23 A): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 84 - HB3 ARG 135 far 7 66 10 - 4.6-8.6 HG2 ARG 84 - HB3 ARG 135 far 4 72 5 - 4.7-10.1 HB3 LEU 22 - HB3 ARG 23 far 0 100 0 - 5.3-7.2 HB2 LEU 98 - HB3 ARG 23 far 0 68 0 - 5.6-36.2 HG LEU 22 - HB3 ARG 23 far 0 100 0 - 6.2-8.2 HD3 LYS 19 - HB3 ARG 23 far 0 63 0 - 8.0-15.9 HG LEU 43 - HB3 ARG 135 far 0 60 0 - 8.4-12.8 Violated in 0 structures by 0.00 A. Peak 440 from aliabs.peaks (3.16, 1.82, 30.64 ppm; 4.18 A): 2 out of 9 assignments used, quality = 1.00: * HD2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.0-4.0 3.7=100 HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 1.9-4.1 3.7=100 HD3 ARG 84 - HB3 ARG 135 far 8 51 15 - 4.0-10.5 HD2 ARG 84 - HB3 ARG 135 far 5 51 10 - 4.7-9.3 HB3 HIS 7 - HB3 ARG 23 far 0 78 0 - 7.1-33.6 HB2 HIS 10 - HB3 ARG 23 far 0 98 0 - 7.1-23.1 HB3 HIS 3 - HB3 ARG 135 far 0 87 0 - 8.2-76.0 HB2 HIS 8 - HB3 ARG 23 far 0 97 0 - 9.2-30.1 HB2 HIS 6 - HB3 ARG 23 far 0 100 0 - 9.6-34.4 Violated in 0 structures by 0.00 A. Peak 441 from aliabs.peaks (3.16, 1.82, 30.64 ppm; 4.17 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 1.9-4.1 3.7=100 HD2 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.0-4.0 3.7=100 HB3 HIS 7 - HB3 ARG 23 far 0 85 0 - 7.1-33.6 HB2 HIS 10 - HB3 ARG 23 far 0 96 0 - 7.1-23.1 HB3 HIS 3 - HB3 ARG 135 far 0 87 0 - 8.2-76.0 HB2 HIS 8 - HB3 ARG 23 far 0 99 0 - 9.2-30.1 HB2 HIS 6 - HB3 ARG 23 far 0 100 0 - 9.6-34.4 Violated in 0 structures by 0.00 A. Peak 443 from aliabs.peaks (8.26, 1.56, 26.98 ppm; 6.06 A): 3 out of 16 assignments used, quality = 1.00: * H ARG 23 + HG2 ARG 23 OK 100 100 100 100 1.9-3.3 5.0=100 H LEU 123 + HG LEU 123 OK 97 97 100 100 2.2-4.6 4.6=100 H VAL 126 + HG LEU 123 OK 77 83 95 98 5.9-7.6 7772/7765=73...(8) H VAL 126 - HG LEU 49 poor 20 73 30 90 6.8-9.6 4.0/11615=53, ~11227=25...(12) H GLU 30 - HG2 ARG 23 far 15 99 15 - 6.2-17.6 H ALA 29 - HG2 ARG 23 far 14 95 15 - 5.2-15.2 H ALA 29 - HG LEU 49 far 8 82 10 - 6.8-19.1 H LEU 123 - HG LEU 49 far 4 89 5 - 7.1-10.7 H LYS 31 - HG2 ARG 23 far 3 60 5 - 6.1-19.4 H LEU 123 - HG LEU 103 far 0 92 0 - 7.7-10.6 H ALA 29 - HG LEU 103 far 0 86 0 - 8.0-20.4 H GLU 30 - HG LEU 49 far 0 89 0 - 8.4-18.9 H ASP 131 - HG LEU 49 far 0 84 0 - 8.7-10.7 H LEU 43 - HG LEU 49 far 0 56 0 - 8.7-9.7 H GLU 40 - HG2 ARG 23 far 0 68 0 - 8.9-34.2 H LEU 96 - HG LEU 123 far 0 90 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 444 from aliabs.peaks (4.28, 1.56, 26.98 ppm; 4.05 A): 2 out of 31 assignments used, quality = 1.00: * HA ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.8 3.8=100 HA LEU 22 + HG2 ARG 23 OK 75 95 85 94 3.6-5.9 375/6205=66, 370=25...(25) HA ALA 21 - HG2 ARG 23 poor 13 89 60 25 3.5-7.6 3.0/1564=11, 453/1.8=5...(8) HA ALA 108 - HG LEU 103 poor 7 94 25 29 1.9-10.6 ~11486=14, ~3396=9...(4) HA LYS 19 - HG2 ARG 23 far 5 99 5 - 4.1-11.4 HA ALA 109 - HG LEU 103 far 5 94 5 - 5.5-11.5 HA ALA 108 - HG2 ARG 23 far 0 100 0 - 5.6-41.9 HA LYS 36 - HG2 ARG 23 far 0 99 0 - 6.2-29.5 HA THR 25 - HG2 ARG 23 far 0 96 0 - 6.3-9.2 HA LYS 26 - HG2 ARG 23 far 0 97 0 - 6.5-11.2 HA ALA 15 - HG2 ARG 23 far 0 100 0 - 6.7-18.1 HA ALA 110 - HG2 ARG 23 far 0 99 0 - 6.8-45.1 HA ALA 110 - HG LEU 103 far 0 92 0 - 6.9-13.7 HA THR 25 - HG LEU 49 far 0 83 0 - 7.2-23.7 HA ALA 109 - HG2 ARG 23 far 0 100 0 - 7.2-44.1 HA GLN 61 - HG2 ARG 23 far 0 100 0 - 7.2-24.8 HA THR 18 - HG2 ARG 23 far 0 100 0 - 7.3-11.7 HA LYS 31 - HG2 ARG 23 far 0 99 0 - 7.4-22.1 HA ALA 16 - HG2 ARG 23 far 0 100 0 - 8.2-16.9 HA GLN 61 - HG LEU 123 far 0 98 0 - 8.3-14.8 HA LYS 36 - HG LEU 49 far 0 89 0 - 8.5-18.3 HA LYS 26 - HG LEU 103 far 0 89 0 - 8.8-25.0 HA ALA 12 - HG2 ARG 23 far 0 99 0 - 8.9-18.7 HA ALA 16 - HG LEU 123 far 0 98 0 - 9.2-38.9 HB THR 115 - HG LEU 103 far 0 92 0 - 9.2-14.0 HA GLN 61 - HG LEU 103 far 0 94 0 - 9.2-11.5 HA ALA 15 - HG LEU 103 far 0 94 0 - 9.4-44.3 HA LYS 26 - HG LEU 49 far 0 85 0 - 9.4-22.2 HA GLN 61 - HG LEU 49 far 0 91 0 - 9.6-12.3 HA THR 25 - HG LEU 123 far 0 92 0 - 9.8-23.4 HA ARG 23 - HG LEU 103 far 0 94 0 - 10.0-30.7 Violated in 0 structures by 0.00 A. Peak 445 from aliabs.peaks (1.75, 1.56, 26.98 ppm; 3.51 A): 2 out of 15 assignments used, quality = 1.00: * HB2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 48 + HG LEU 49 OK 29 54 60 90 3.6-6.4 3.1/9205=35, 4.6/6606=26...(25) HG LEU 100 - HG LEU 103 poor 14 71 20 - 3.8-7.1 HB2 LYS 26 - HG2 ARG 23 far 10 99 10 - 4.3-13.1 HB2 LYS 19 - HG2 ARG 23 far 5 98 5 - 3.8-13.1 HB2 LYS 31 - HG2 ARG 23 far 0 98 0 - 5.2-22.1 HB2 LYS 24 - HG2 ARG 23 far 0 99 0 - 5.3-8.2 HG LEU 100 - HG LEU 123 far 0 77 0 - 6.7-11.6 HB2 LYS 26 - HG LEU 49 far 0 88 0 - 7.2-21.3 HG LEU 100 - HG LEU 49 far 0 67 0 - 7.4-13.4 HB2 LYS 26 - HG LEU 103 far 0 92 0 - 7.7-23.3 HB2 LYS 19 - HG LEU 49 far 0 86 0 - 7.8-33.7 HB2 LEU 48 - HG2 ARG 23 far 0 65 0 - 7.9-30.1 HB2 LEU 48 - HG LEU 123 far 0 62 0 - 8.9-14.0 HG13 ILE 129 - HG LEU 49 far 0 87 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 446 from aliabs.peaks (1.82, 1.56, 26.98 ppm; 3.87 A): 2 out of 21 assignments used, quality = 1.00: * HB3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 103 + HG LEU 103 OK 62 62 100 100 2.3-2.7 3.0=100 HB3 LYS 26 - HG2 ARG 23 far 10 100 10 - 4.0-13.0 HB3 LYS 31 - HG2 ARG 23 far 5 99 5 - 5.4-21.6 HB3 LYS 19 - HG2 ARG 23 far 5 97 5 - 3.1-12.6 HB3 LYS 24 - HG2 ARG 23 far 0 100 0 - 5.4-8.2 HB3 LEU 122 - HG LEU 123 far 0 59 0 - 5.5-8.5 HB2 LYS 36 - HG2 ARG 23 far 0 100 0 - 5.6-29.1 HB2 LEU 100 - HG LEU 103 far 0 93 0 - 5.8-7.8 HB3 LEU 122 - HG LEU 103 far 0 54 0 - 6.2-10.2 HB3 LYS 26 - HG LEU 103 far 0 94 0 - 6.9-25.0 HB ILE 32 - HG2 ARG 23 far 0 99 0 - 7.0-21.5 HB3 LEU 122 - HG LEU 49 far 0 51 0 - 7.3-11.5 HB2 LEU 100 - HG LEU 123 far 0 98 0 - 7.8-11.3 HB2 LYS 36 - HG LEU 49 far 0 91 0 - 7.9-18.8 HB3 LYS 19 - HG LEU 49 far 0 84 0 - 8.6-33.8 HB3 ARG 23 - HG LEU 103 far 0 94 0 - 8.7-31.3 HB3 LYS 26 - HG LEU 49 far 0 90 0 - 8.8-22.7 HB3 LEU 103 - HG LEU 123 far 0 67 0 - 9.1-12.4 HB2 LEU 100 - HG LEU 49 far 0 90 0 - 9.2-13.3 HB ILE 32 - HG LEU 49 far 0 88 0 - 9.3-15.6 Violated in 0 structures by 0.00 A. Peak 447 from aliabs.peaks (1.56, 1.56, 26.98 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 ARG 23 + HG2 ARG 23 OK 100 100 - 100 HG LEU 123 + HG LEU 123 OK 98 98 - 100 HG LEU 103 + HG LEU 103 OK 93 93 - 100 HG LEU 49 + HG LEU 49 OK 86 86 - 100 Peak 448 from aliabs.peaks (1.62, 1.56, 26.98 ppm; 2.50 A): 2 out of 24 assignments used, quality = 1.00: * HG3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 123 + HG LEU 123 OK 49 57 100 86 2.2-3.0 3.0=57, ~3947=21...(15) HG LEU 62 - HG LEU 123 poor 14 67 35 60 3.1-9.0 ~10347=15, ~10347=10...(18) HG LEU 122 - HG LEU 123 far 13 88 15 - 3.1-8.0 HG LEU 22 - HG2 ARG 23 far 5 100 5 - 3.4-7.5 HB3 LEU 22 - HG2 ARG 23 far 5 100 5 - 3.4-7.3 HB2 LEU 122 - HG LEU 123 far 0 93 0 - 4.1-8.0 HG LEU 119 - HG LEU 123 far 0 98 0 - 4.7-8.8 HG LEU 62 - HG LEU 103 far 0 62 0 - 4.8-10.5 HG LEU 119 - HG LEU 103 far 0 94 0 - 4.9-10.5 HB2 LEU 123 - HG LEU 49 far 0 49 0 - 5.0-10.1 HB2 LEU 122 - HG LEU 103 far 0 88 0 - 5.2-8.8 HG LEU 122 - HG LEU 103 far 0 83 0 - 5.2-9.4 HD3 LYS 19 - HG2 ARG 23 far 0 63 0 - 6.2-13.2 HG LEU 62 - HG LEU 49 far 0 58 0 - 6.9-10.4 HG LEU 122 - HG LEU 49 far 0 79 0 - 6.9-10.4 HB2 LEU 98 - HG2 ARG 23 far 0 68 0 - 7.0-38.4 HG LEU 70 - HG LEU 49 far 0 87 0 - 8.0-13.9 HG LEU 70 - HG LEU 103 far 0 91 0 - 8.3-12.0 HB2 LEU 123 - HG LEU 103 far 0 52 0 - 8.7-12.6 HB2 LEU 122 - HG LEU 49 far 0 84 0 - 8.8-12.3 HG LEU 70 - HG LEU 123 far 0 96 0 - 9.2-13.6 HG3 ARG 23 - HG LEU 103 far 0 94 0 - 9.4-34.1 HG LEU 43 - HG LEU 49 far 0 63 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 449 from aliabs.peaks (3.16, 1.56, 26.98 ppm; 4.16 A): 2 out of 9 assignments used, quality = 1.00: * HD2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 HIS 10 - HG2 ARG 23 far 5 98 5 - 5.6-22.6 HB3 HIS 7 - HG2 ARG 23 far 0 78 0 - 8.3-31.1 HB2 HIS 8 - HG2 ARG 23 far 0 97 0 - 8.3-30.1 HB3 HIS 3 - HG LEU 49 far 0 91 0 - 8.6-63.1 HB2 HIS 6 - HG LEU 49 far 0 89 0 - 8.7-55.7 HB2 HIS 6 - HG2 ARG 23 far 0 100 0 - 9.1-32.3 HD2 ARG 23 - HG LEU 103 far 0 94 0 - 9.6-31.9 Violated in 0 structures by 0.00 A. Peak 450 from aliabs.peaks (3.16, 1.56, 26.98 ppm; 4.16 A): 2 out of 9 assignments used, quality = 1.00: * HD3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 HIS 10 - HG2 ARG 23 far 5 96 5 - 5.6-22.6 HB3 HIS 7 - HG2 ARG 23 far 0 85 0 - 8.3-31.1 HB2 HIS 8 - HG2 ARG 23 far 0 99 0 - 8.3-30.1 HB3 HIS 3 - HG LEU 49 far 0 90 0 - 8.6-63.1 HB2 HIS 6 - HG LEU 49 far 0 90 0 - 8.7-55.7 HB2 HIS 6 - HG2 ARG 23 far 0 100 0 - 9.1-32.3 HD2 ARG 23 - HG LEU 103 far 0 94 0 - 9.6-31.9 Violated in 0 structures by 0.00 A. Peak 452 from aliabs.peaks (8.26, 1.62, 26.98 ppm; 5.16 A): 6 out of 18 assignments used, quality = 1.00: * H ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-4.5 5.0=100 H ARG 23 + HG LEU 22 OK 96 96 100 100 2.9-4.5 6197/3.0=92, 375/4.3=88...(24) H LEU 123 + HG LEU 122 OK 75 75 100 100 1.8-4.5 3899/2.1=67, 3907/2.1=51...(30) H LEU 123 + HG LEU 119 OK 70 99 75 94 5.9-7.6 11552/2.9=72...(16) H VAL 126 + HG LEU 122 OK 57 60 100 95 4.2-6.5 10405/3.0=29...(22) H LEU 96 + HG LEU 70 OK 38 86 45 97 5.4-8.3 11083/2.1=55...(17) H ALA 29 - HG3 ARG 23 far 14 95 15 - 4.6-16.4 H VAL 126 - HG LEU 70 far 12 79 15 - 5.8-9.5 H LEU 96 - HG LEU 122 far 10 67 15 - 6.1-8.6 H GLU 30 - HG3 ARG 23 far 10 99 10 - 6.2-17.6 H LYS 31 - HG3 ARG 23 far 3 60 5 - 5.8-19.4 H ALA 29 - HG LEU 70 far 0 87 0 - 6.7-18.7 H LEU 123 - HG LEU 70 far 0 94 0 - 8.1-10.8 H ALA 29 - HG LEU 22 far 0 88 0 - 8.2-17.7 H GLU 30 - HG LEU 22 far 0 95 0 - 8.4-19.6 H LYS 31 - HG LEU 22 far 0 54 0 - 8.7-21.1 H GLU 40 - HG3 ARG 23 far 0 68 0 - 8.9-35.2 H GLU 30 - HG LEU 70 far 0 94 0 - 9.2-18.6 Violated in 0 structures by 0.00 A. Peak 453 from aliabs.peaks (4.28, 1.62, 26.98 ppm; 5.54 A): 8 out of 44 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.9-4.1 3.8=100 HA ARG 23 + HG LEU 22 OK 96 96 100 100 5.4-6.6 10728/5.1=76, ~6200=60...(22) HA LEU 22 + HG LEU 22 OK 88 88 100 100 2.2-4.1 4.3=100 HA LEU 22 + HG3 ARG 23 OK 87 95 95 97 3.9-7.1 375/5.0=77, 444/1.8=38...(15) HA ALA 21 + HG LEU 22 OK 58 82 95 75 3.7-7.2 3.6/6189=45, 401/2.1=15...(9) HA LYS 19 + HG LEU 22 OK 50 94 75 71 2.6-10.7 409/2.1=22, ~10720=12...(17) HA ALA 21 + HG3 ARG 23 OK 37 89 75 56 3.9-8.3 3.6/392=18, ~1564=17...(9) HA SER 74 + HG LEU 70 OK 29 91 35 91 6.0-9.5 9842/2.1=81, ~11123=25...(7) HA LYS 26 - HG3 ARG 23 poor 19 97 20 - 5.9-12.3 HA LYS 19 - HG3 ARG 23 far 15 99 15 - 5.1-11.2 HA THR 25 - HG3 ARG 23 far 14 96 15 - 6.4-10.0 HA ALA 15 - HG3 ARG 23 far 10 100 10 - 6.4-17.3 HA ALA 110 - HG LEU 119 far 10 99 10 - 6.2-14.7 HA THR 18 - HG LEU 22 lone 7 96 55 14 2.0-11.5 3.6/460=5, 10685/2.1=4...(4) HA ALA 108 - HG3 ARG 23 far 5 100 5 - 4.7-42.7 HA GLN 61 - HG3 ARG 23 far 5 100 5 - 6.3-26.1 HA ALA 109 - HG LEU 119 far 5 100 5 - 6.1-13.4 HA THR 18 - HG3 ARG 23 far 5 100 5 - 6.4-12.0 HA ALA 16 - HG3 ARG 23 far 5 100 5 - 6.9-16.3 HA ALA 109 - HG3 ARG 23 far 5 100 5 - 7.0-45.1 HA LYS 36 - HG3 ARG 23 far 5 99 5 - 5.1-28.6 HA ALA 110 - HG3 ARG 23 far 5 99 5 - 5.6-46.2 HB THR 115 - HG LEU 119 far 5 99 5 - 5.7-9.3 HA ALA 108 - HG LEU 22 far 5 96 5 - 6.4-44.6 HA ALA 12 - HG LEU 22 far 5 94 5 - 5.1-18.4 HA ALA 15 - HG LEU 22 far 0 96 0 - 7.1-17.0 HA ALA 108 - HG LEU 122 far 0 77 0 - 7.2-16.6 HA ALA 108 - HG LEU 119 far 0 100 0 - 7.3-15.2 HA ALA 108 - HG LEU 70 far 0 95 0 - 7.3-16.3 HA ALA 110 - HG LEU 22 far 0 95 0 - 7.3-47.7 HA ALA 16 - HG LEU 22 far 0 96 0 - 7.4-15.7 HA PHE 87 - HG2 ARG 84 far 0 56 0 - 7.7-9.7 HA GLN 61 - HG LEU 22 far 0 96 0 - 7.7-28.0 HA LYS 31 - HG LEU 22 far 0 94 0 - 7.8-23.7 HA LYS 31 - HG3 ARG 23 far 0 99 0 - 7.8-22.1 HA LYS 36 - HG LEU 22 far 0 95 0 - 7.9-33.9 HA ALA 109 - HG LEU 22 far 0 96 0 - 8.0-46.5 HA ALA 12 - HG3 ARG 23 far 0 99 0 - 8.1-18.2 HA GLN 61 - HG LEU 119 far 0 100 0 - 9.2-16.5 HA THR 25 - HG LEU 22 far 0 90 0 - 9.2-11.7 HA LYS 26 - HG LEU 22 far 0 92 0 - 9.3-13.8 HA GLN 61 - HG LEU 122 far 0 77 0 - 9.5-13.6 HA ALA 21 - HG LEU 119 far 0 88 0 - 9.5-37.7 HA LYS 31 - HG LEU 70 far 0 93 0 - 9.5-19.6 Violated in 0 structures by 0.00 A. Peak 454 from aliabs.peaks (1.75, 1.62, 26.98 ppm; 3.77 A): 3 out of 18 assignments used, quality = 1.00: * HB2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 100 + HG LEU 70 OK 52 73 75 96 2.7-7.3 ~11115=44, ~9487=37...(23) HG LEU 100 + HG LEU 122 OK 51 55 95 97 2.8-6.2 ~11388=19, ~11492=19...(42) HB2 LYS 19 - HG LEU 22 far 14 93 15 - 4.8-10.9 HB2 LYS 26 - HG3 ARG 23 far 10 99 10 - 4.8-14.3 HB2 LYS 19 - HG3 ARG 23 far 5 98 5 - 3.7-12.6 HB2 ARG 23 - HG LEU 22 far 0 96 0 - 5.4-8.0 HB2 LYS 24 - HG LEU 22 far 0 94 0 - 5.8-9.9 HB2 LYS 31 - HG3 ARG 23 far 0 98 0 - 6.2-21.9 HB2 LYS 24 - HG3 ARG 23 far 0 99 0 - 6.6-8.9 HG LEU 100 - HG LEU 119 far 0 80 0 - 6.6-11.3 HG13 ILE 129 - HG LEU 70 far 0 93 0 - 6.9-11.1 HB2 LYS 26 - HG LEU 22 far 0 94 0 - 7.3-14.9 HB ILE 80 - HG2 ARG 84 far 0 47 0 - 7.8-11.4 HB2 LYS 31 - HG LEU 22 far 0 93 0 - 8.0-23.5 HB2 LEU 48 - HG3 ARG 23 far 0 65 0 - 8.9-30.4 HB2 LEU 48 - HG LEU 22 far 0 59 0 - 8.9-31.1 HG13 ILE 129 - HG LEU 122 far 0 74 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 455 from aliabs.peaks (1.82, 1.62, 26.98 ppm; 4.35 A): 6 out of 29 assignments used, quality = 1.00: * HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 100 + HG LEU 70 OK 89 95 95 99 3.3-6.0 ~11115=43, ~9487=35...(27) HB2 LEU 100 + HG LEU 122 OK 68 76 90 100 1.9-6.2 ~10337=30, ~10337=23...(57) HB2 ARG 84 + HG2 ARG 84 OK 55 55 100 100 2.3-3.0 3.0=100 HB3 LEU 122 + HG LEU 122 OK 41 41 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HG LEU 22 OK 25 91 45 62 3.5-10.7 10720/2.1=14, ~409=9...(19) HB3 LEU 122 - HG LEU 70 poor 20 56 35 - 4.9-7.1 HB3 ARG 135 - HG2 ARG 84 poor 18 59 30 - 4.7-10.1 HB3 LEU 103 - HG LEU 122 poor 16 47 65 51 4.6-7.9 ~3384=6, ~3386=6...(22) HB3 LYS 24 - HG LEU 22 far 14 96 15 - 4.9-9.8 HB3 LYS 26 - HG3 ARG 23 far 10 100 10 - 4.8-14.3 HB2 LYS 86 - HG2 ARG 84 poor 7 36 20 - 5.5-8.0 HB2 LYS 36 - HG3 ARG 23 far 5 100 5 - 5.5-28.1 HB3 LYS 31 - HG3 ARG 23 far 5 99 5 - 5.5-21.5 HB3 LYS 19 - HG3 ARG 23 far 5 97 5 - 3.4-12.2 HB3 LEU 103 - HG LEU 119 far 4 70 5 - 5.8-10.5 HB VAL 93 - HG LEU 70 far 0 91 0 - 6.2-10.5 HB3 ARG 23 - HG LEU 22 far 0 96 0 - 6.2-8.2 HB3 LYS 24 - HG3 ARG 23 far 0 100 0 - 6.4-8.9 HB3 LYS 31 - HG LEU 22 far 0 95 0 - 6.9-22.8 HB ILE 32 - HG3 ARG 23 far 0 99 0 - 7.2-21.7 HB3 LEU 103 - HG LEU 70 far 0 63 0 - 7.2-10.3 HB3 LEU 122 - HG LEU 119 far 0 62 0 - 7.2-9.8 HB3 LYS 26 - HG LEU 22 far 0 96 0 - 7.9-15.3 HB2 LEU 100 - HG LEU 119 far 0 100 0 - 8.2-11.9 HB ILE 32 - HG LEU 70 far 0 93 0 - 8.5-13.8 HB2 LYS 36 - HG LEU 22 far 0 96 0 - 9.1-33.5 HB2 LYS 36 - HG LEU 70 far 0 95 0 - 9.9-18.1 HB3 LYS 26 - HG LEU 119 far 0 100 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 456 from aliabs.peaks (1.56, 1.62, 26.98 ppm; 2.50 A): 3 out of 21 assignments used, quality = 1.00: * HG2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 22 + HG LEU 22 OK 75 78 100 95 2.3-2.9 3.0=59, 402/2.1=36...(20) HB2 LEU 119 + HG LEU 119 OK 74 86 100 85 2.3-3.0 2.9=63, 3.9/3781=16...(11) HG LEU 123 - HG LEU 122 far 11 77 15 - 3.1-8.0 HB2 LEU 22 - HG3 ARG 23 poor 8 85 25 37 2.7-7.3 6197/5.0=10, 420/3.8=8...(10) HG2 ARG 23 - HG LEU 22 far 5 96 5 - 3.4-7.5 HG LEU 123 - HG LEU 119 far 0 100 0 - 4.7-8.8 HB2 LEU 103 - HG LEU 122 far 0 67 0 - 4.7-8.9 HG LEU 103 - HG LEU 119 far 0 100 0 - 4.9-10.5 HG LEU 103 - HG LEU 122 far 0 76 0 - 5.2-9.4 HB2 LEU 103 - HG LEU 119 far 0 93 0 - 5.4-9.2 HB2 LEU 119 - HG LEU 122 far 0 60 0 - 5.7-8.6 HG13 ILE 37 - HG3 ARG 23 far 0 98 0 - 6.9-28.7 HG LEU 49 - HG LEU 122 far 0 73 0 - 6.9-10.4 HG LEU 49 - HG LEU 70 far 0 92 0 - 8.0-13.9 HG13 ILE 37 - HG LEU 70 far 0 92 0 - 8.1-15.4 HG LEU 103 - HG LEU 70 far 0 95 0 - 8.3-12.0 HB2 LEU 103 - HG LEU 70 far 0 86 0 - 8.4-11.7 HB3 LEU 42 - HG LEU 70 far 0 77 0 - 9.2-13.9 HG LEU 123 - HG LEU 70 far 0 95 0 - 9.2-13.6 HG LEU 103 - HG3 ARG 23 far 0 100 0 - 9.4-34.1 Violated in 0 structures by 0.00 A. Peak 457 from aliabs.peaks (1.62, 1.62, 26.98 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 HG LEU 119 + HG LEU 119 OK 100 100 - 100 HG LEU 22 + HG LEU 22 OK 96 96 - 100 HG LEU 70 + HG LEU 70 OK 93 93 - 100 HG LEU 122 + HG LEU 122 OK 65 65 - 100 HG2 ARG 84 + HG2 ARG 84 OK 47 47 - 100 Peak 458 from aliabs.peaks (3.16, 1.62, 26.98 ppm; 6.16 A): 6 out of 18 assignments used, quality = 1.00: * HD2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 23 + HG LEU 22 OK 55 96 65 88 5.5-9.5 6.4/452=24, 4.9/421=18...(25) HD3 ARG 23 + HG LEU 22 OK 51 96 60 88 4.2-9.6 6.4/452=24, 4.9/421=18...(26) HD3 ARG 84 + HG2 ARG 84 OK 32 32 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 32 32 100 100 2.5-3.0 3.0=100 HB2 HIS 10 - HG LEU 22 far 9 93 10 - 6.6-23.6 HB2 HIS 10 - HG3 ARG 23 far 5 98 5 - 5.4-21.0 HB2 HIS 6 - HG LEU 22 far 5 95 5 - 4.3-33.6 HB3 HIS 3 - HG2 ARG 84 far 3 59 5 - 6.8-76.3 HB2 HIS 8 - HG LEU 22 far 0 91 0 - 8.0-31.4 HB2 HIS 6 - HG3 ARG 23 far 0 100 0 - 8.1-32.0 HB3 HIS 7 - HG3 ARG 23 far 0 78 0 - 8.4-30.9 HB3 TYR 76 - HG LEU 70 far 0 53 0 - 8.6-12.2 HB2 HIS 8 - HG3 ARG 23 far 0 97 0 - 9.1-28.4 HD3 ARG 90 - HG2 ARG 84 far 0 59 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 58 0 - 9.7-13.5 HB3 HIS 7 - HG LEU 22 far 0 72 0 - 9.9-33.6 Violated in 0 structures by 0.00 A. Peak 459 from aliabs.peaks (3.16, 1.62, 26.98 ppm; 6.04 A): 4 out of 16 assignments used, quality = 1.00: * HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 23 + HG LEU 22 OK 50 96 60 87 5.5-9.5 6.4/452=24, 4.9/421=17...(25) HD3 ARG 23 + HG LEU 22 OK 46 96 55 87 4.2-9.6 6.4/452=24, 4.9/421=17...(26) HB2 HIS 10 - HG LEU 22 far 9 90 10 - 6.6-23.6 HB2 HIS 6 - HG LEU 22 far 5 96 5 - 4.3-33.6 HB2 HIS 10 - HG3 ARG 23 far 5 96 5 - 5.4-21.0 HB3 HIS 3 - HG2 ARG 84 far 3 59 5 - 6.8-76.3 HB2 HIS 8 - HG LEU 22 far 0 94 0 - 8.0-31.4 HB2 HIS 6 - HG3 ARG 23 far 0 100 0 - 8.1-32.0 HB3 HIS 7 - HG3 ARG 23 far 0 85 0 - 8.4-30.9 HB3 TYR 76 - HG LEU 70 far 0 61 0 - 8.6-12.2 HB2 HIS 8 - HG3 ARG 23 far 0 99 0 - 9.1-28.4 HD3 ARG 90 - HG2 ARG 84 far 0 58 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 57 0 - 9.7-13.5 HB3 HIS 7 - HG LEU 22 far 0 78 0 - 9.9-33.6 Violated in 0 structures by 0.00 A. Peak 462 from aliabs.peaks (4.28, 3.16, 42.99 ppm; 3.72 A): 4 out of 38 assignments used, quality = 1.00: * HA ARG 23 + HD2 ARG 23 OK 98 100 100 98 2.0-5.1 4.9=45, 3.0/464=31...(25) HA ARG 23 + HD3 ARG 23 OK 98 100 100 98 3.0-5.2 4.9=45, 3.0/464=31...(24) HA PHE 87 + HD2 ARG 90 OK 74 89 95 88 2.6-5.6 2723/3.8=37, 7206/5.9=21...(16) HA PHE 87 + HD3 ARG 90 OK 68 91 85 88 1.9-6.1 2723/3.8=37, 7206/5.9=21...(16) HA ALA 21 - HD2 ARG 23 far 13 89 15 - 3.0-10.1 HA ALA 21 - HD3 ARG 23 far 13 88 15 - 4.2-10.2 HA LEU 22 - HD2 ARG 23 far 9 95 10 - 2.9-7.9 HA LEU 22 - HD3 ARG 23 far 9 94 10 - 4.5-8.1 HA LYS 19 - HD3 ARG 23 far 5 98 5 - 5.0-13.6 HA THR 25 - HD2 ARG 23 far 5 96 5 - 4.3-10.7 HA LYS 26 - HD2 ARG 23 far 0 97 0 - 5.4-12.1 HA LYS 26 - HD3 ARG 23 far 0 97 0 - 5.4-11.9 HA LYS 31 - HD2 ARG 23 far 0 99 0 - 5.6-23.3 HA LYS 36 - HD3 ARG 23 far 0 99 0 - 5.6-28.1 HA THR 25 - HD3 ARG 23 far 0 95 0 - 6.0-10.9 HA SER 74 - HD3 ARG 90 far 0 89 0 - 6.2-9.4 HA ALA 109 - HD3 ARG 23 far 0 100 0 - 6.5-44.7 HA LYS 19 - HD2 ARG 23 far 0 99 0 - 6.5-13.3 HA LYS 31 - HD3 ARG 23 far 0 98 0 - 6.5-23.2 HA ALA 110 - HD3 ARG 23 far 0 99 0 - 6.7-45.6 HA LYS 36 - HD2 ARG 23 far 0 99 0 - 6.8-28.0 HA ALA 108 - HD2 ARG 23 far 0 100 0 - 6.8-40.8 HA GLN 61 - HD3 ARG 23 far 0 100 0 - 7.1-25.3 HA SER 74 - HD2 ARG 90 far 0 87 0 - 7.1-9.9 HA ALA 15 - HD2 ARG 23 far 0 100 0 - 7.2-19.4 HA ALA 16 - HD2 ARG 23 far 0 100 0 - 7.3-17.6 HA ALA 108 - HD3 ARG 23 far 0 100 0 - 7.5-42.5 HA ALA 110 - HD2 ARG 23 far 0 99 0 - 7.7-43.9 HA ALA 12 - HD2 ARG 23 far 0 99 0 - 7.7-19.6 HA GLN 61 - HD2 ARG 23 far 0 100 0 - 7.7-24.9 HA THR 18 - HD2 ARG 23 far 0 100 0 - 7.8-12.7 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 8.0-20.0 HA ALA 109 - HD2 ARG 23 far 0 100 0 - 8.0-43.1 HA ALA 16 - HD3 ARG 23 far 0 100 0 - 8.0-18.5 HA ALA 12 - HD3 ARG 23 far 0 98 0 - 8.2-20.5 HA THR 18 - HD3 ARG 23 far 0 100 0 - 8.8-13.5 HA TYR 76 - HD3 ARG 90 far 0 52 0 - 9.0-12.5 HA TYR 76 - HD2 ARG 90 far 0 50 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 463 from aliabs.peaks (1.75, 3.16, 42.99 ppm; 3.69 A): 4 out of 18 assignments used, quality = 1.00: * HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 83 83 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 81 81 100 100 2.2-3.0 3.0=100 HB2 LYS 26 - HD2 ARG 23 poor 20 99 20 - 3.8-13.2 HB2 LYS 26 - HD3 ARG 23 far 10 98 10 - 3.2-13.6 HB2 LYS 31 - HD2 ARG 23 far 5 98 5 - 3.8-23.2 HB2 LYS 31 - HD3 ARG 23 far 5 97 5 - 4.4-22.9 HB2 LYS 19 - HD3 ARG 23 far 5 97 5 - 5.2-15.1 HB2 LYS 24 - HD2 ARG 23 far 0 99 0 - 5.8-10.0 HB ILE 80 - HD2 ARG 90 far 0 77 0 - 5.9-10.0 HB2 LYS 19 - HD2 ARG 23 far 0 98 0 - 6.2-14.8 HB ILE 80 - HD3 ARG 90 far 0 79 0 - 6.4-11.6 HB2 LYS 24 - HD3 ARG 23 far 0 98 0 - 6.7-10.2 HG13 ILE 129 - HD2 ARG 90 far 0 89 0 - 8.1-10.9 HG13 ILE 129 - HD3 ARG 90 far 0 91 0 - 8.6-10.9 HB2 LEU 48 - HD2 ARG 23 far 0 65 0 - 8.8-31.6 HB2 LEU 48 - HD3 ARG 23 far 0 64 0 - 9.2-30.9 Violated in 0 structures by 0.00 A. Peak 464 from aliabs.peaks (1.82, 3.16, 42.99 ppm; 3.37 A): 2 out of 21 assignments used, quality = 1.00: * HB3 ARG 23 + HD2 ARG 23 OK 98 100 100 98 2.0-4.0 3.7=78, ~430=32...(18) HB3 ARG 23 + HD3 ARG 23 OK 98 100 100 98 1.9-4.1 3.7=78, ~430=32...(18) HB3 LYS 26 - HD2 ARG 23 poor 20 100 20 - 3.6-13.7 HB3 LYS 26 - HD3 ARG 23 far 15 100 15 - 3.8-13.8 HB2 LYS 36 - HD3 ARG 23 far 5 100 5 - 4.3-27.6 HB3 LYS 31 - HD2 ARG 23 far 5 99 5 - 3.4-22.9 HB3 LYS 31 - HD3 ARG 23 far 5 99 5 - 4.0-22.7 HB3 LYS 19 - HD3 ARG 23 far 5 96 5 - 3.8-14.7 HB2 LYS 86 - HD3 ARG 90 far 3 64 5 - 4.3-9.1 HB2 LYS 86 - HD2 ARG 90 far 3 63 5 - 4.8-7.9 HB3 LYS 19 - HD2 ARG 23 far 0 97 0 - 5.1-14.6 HB ILE 32 - HD3 ARG 23 far 0 98 0 - 5.2-22.3 HB2 LYS 36 - HD2 ARG 23 far 0 100 0 - 5.6-27.5 HB ILE 32 - HD2 ARG 23 far 0 99 0 - 5.7-22.2 HB VAL 93 - HD3 ARG 90 far 0 89 0 - 5.8-8.9 HB VAL 93 - HD2 ARG 90 far 0 87 0 - 5.9-8.4 HB3 LYS 24 - HD2 ARG 23 far 0 100 0 - 6.1-9.9 HB3 LYS 24 - HD3 ARG 23 far 0 99 0 - 6.7-9.7 HB2 ARG 84 - HD3 ARG 90 far 0 90 0 - 9.4-13.2 HB2 CYS 79 - HD2 ARG 90 far 0 85 0 - 9.8-14.6 HB2 ARG 84 - HD2 ARG 90 far 0 88 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 465 from aliabs.peaks (1.56, 3.16, 42.99 ppm; 3.42 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 22 - HD3 ARG 23 poor 17 84 20 - 2.6-8.4 HB2 LEU 22 - HD2 ARG 23 far 13 85 15 - 3.7-8.1 HG13 ILE 37 - HD2 ARG 23 far 0 98 0 - 8.6-28.9 HG13 ILE 37 - HD3 ARG 23 far 0 97 0 - 8.7-28.8 HG LEU 103 - HD2 ARG 23 far 0 100 0 - 9.6-31.9 Violated in 0 structures by 0.00 A. Peak 466 from aliabs.peaks (1.62, 3.16, 42.99 ppm; 3.37 A): 2 out of 14 assignments used, quality = 1.00: * HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 22 - HD3 ARG 23 far 10 100 10 - 4.2-9.6 HB3 LEU 22 - HD3 ARG 23 far 10 100 10 - 4.4-9.1 HB3 LEU 22 - HD2 ARG 23 far 5 100 5 - 4.8-8.8 HG LEU 22 - HD2 ARG 23 far 0 100 0 - 5.5-9.5 HD3 LYS 19 - HD3 ARG 23 far 0 62 0 - 6.3-15.4 HB2 LEU 98 - HD2 ARG 23 far 0 68 0 - 7.5-37.3 HD3 LYS 19 - HD2 ARG 23 far 0 63 0 - 7.6-15.2 HB2 LEU 98 - HD3 ARG 23 far 0 67 0 - 7.7-39.0 HG2 ARG 84 - HD3 ARG 90 far 0 79 0 - 9.6-14.5 HG2 ARG 84 - HD2 ARG 90 far 0 77 0 - 9.7-13.5 HG3 ARG 84 - HD3 ARG 90 far 0 73 0 - 9.9-14.4 HG3 ARG 84 - HD2 ARG 90 far 0 71 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 467 from aliabs.peaks (3.16, 3.16, 42.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 94 94 - 100 HD2 ARG 90 + HD2 ARG 90 OK 92 92 - 100 Peak 468 from aliabs.peaks (3.16, 3.16, 42.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 93 93 - 100 HD2 ARG 90 + HD2 ARG 90 OK 90 90 - 100 Reference assignment not found: HD3 ARG 23 - HD2 ARG 23 Peak 471 from aliabs.peaks (4.28, 3.16, 42.99 ppm; 3.94 A): 4 out of 38 assignments used, quality = 1.00: * HA ARG 23 + HD3 ARG 23 OK 99 100 100 99 3.0-5.2 4.9=53, 3.0/464=34...(24) HA ARG 23 + HD2 ARG 23 OK 99 100 100 99 2.0-5.1 4.9=53, 3.0/464=34...(25) HA PHE 87 + HD3 ARG 90 OK 77 89 95 91 1.9-6.1 2723/3.8=42, 7206/5.9=24...(16) HA PHE 87 + HD2 ARG 90 OK 74 85 95 91 2.6-5.6 2723/3.8=42, 7206/5.9=24...(16) HA LEU 22 - HD3 ARG 23 poor 19 95 20 - 4.5-8.1 HA ALA 21 - HD3 ARG 23 far 13 89 15 - 4.2-10.2 HA ALA 21 - HD2 ARG 23 far 13 88 15 - 3.0-10.1 HA LEU 22 - HD2 ARG 23 far 9 94 10 - 2.9-7.9 HA LYS 19 - HD3 ARG 23 far 5 99 5 - 5.0-13.6 HA LYS 26 - HD3 ARG 23 far 5 97 5 - 5.4-11.9 HA LYS 26 - HD2 ARG 23 far 5 97 5 - 5.4-12.1 HA THR 25 - HD2 ARG 23 far 5 95 5 - 4.3-10.7 HA LYS 31 - HD2 ARG 23 far 0 98 0 - 5.6-23.3 HA LYS 36 - HD3 ARG 23 far 0 99 0 - 5.6-28.1 HA THR 25 - HD3 ARG 23 far 0 96 0 - 6.0-10.9 HA SER 74 - HD3 ARG 90 far 0 87 0 - 6.2-9.4 HA ALA 109 - HD3 ARG 23 far 0 100 0 - 6.5-44.7 HA LYS 19 - HD2 ARG 23 far 0 98 0 - 6.5-13.3 HA LYS 31 - HD3 ARG 23 far 0 99 0 - 6.5-23.2 HA ALA 110 - HD3 ARG 23 far 0 99 0 - 6.7-45.6 HA LYS 36 - HD2 ARG 23 far 0 99 0 - 6.8-28.0 HA ALA 108 - HD2 ARG 23 far 0 100 0 - 6.8-40.8 HA GLN 61 - HD3 ARG 23 far 0 100 0 - 7.1-25.3 HA SER 74 - HD2 ARG 90 far 0 84 0 - 7.1-9.9 HA ALA 15 - HD2 ARG 23 far 0 100 0 - 7.2-19.4 HA ALA 16 - HD2 ARG 23 far 0 100 0 - 7.3-17.6 HA ALA 108 - HD3 ARG 23 far 0 100 0 - 7.5-42.5 HA ALA 110 - HD2 ARG 23 far 0 99 0 - 7.7-43.9 HA ALA 12 - HD2 ARG 23 far 0 98 0 - 7.7-19.6 HA GLN 61 - HD2 ARG 23 far 0 100 0 - 7.7-24.9 HA THR 18 - HD2 ARG 23 far 0 100 0 - 7.8-12.7 HA ALA 15 - HD3 ARG 23 far 0 100 0 - 8.0-20.0 HA ALA 109 - HD2 ARG 23 far 0 100 0 - 8.0-43.1 HA ALA 16 - HD3 ARG 23 far 0 100 0 - 8.0-18.5 HA ALA 12 - HD3 ARG 23 far 0 99 0 - 8.2-20.5 HA THR 18 - HD3 ARG 23 far 0 100 0 - 8.8-13.5 HA TYR 76 - HD3 ARG 90 far 0 50 0 - 9.0-12.5 HA TYR 76 - HD2 ARG 90 far 0 47 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 472 from aliabs.peaks (1.75, 3.16, 42.99 ppm; 3.96 A): 4 out of 18 assignments used, quality = 1.00: * HB2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.1 3.7=100 HG3 ARG 90 + HD3 ARG 90 OK 81 81 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 77 77 100 100 2.2-3.0 3.0=100 HB2 LYS 26 - HD2 ARG 23 poor 13 98 25 54 3.8-13.2 3.0/10729=49, 3.5/11449=9 HB2 LYS 26 - HD3 ARG 23 far 10 99 10 - 3.2-13.6 HB2 LYS 31 - HD3 ARG 23 far 5 98 5 - 4.4-22.9 HB2 LYS 19 - HD3 ARG 23 far 5 98 5 - 5.2-15.1 HB2 LYS 31 - HD2 ARG 23 far 5 97 5 - 3.8-23.2 HB2 LYS 24 - HD2 ARG 23 far 0 98 0 - 5.8-10.0 HB ILE 80 - HD2 ARG 90 far 0 73 0 - 5.9-10.0 HB2 LYS 19 - HD2 ARG 23 far 0 97 0 - 6.2-14.8 HB ILE 80 - HD3 ARG 90 far 0 77 0 - 6.4-11.6 HB2 LYS 24 - HD3 ARG 23 far 0 99 0 - 6.7-10.2 HG13 ILE 129 - HD2 ARG 90 far 0 85 0 - 8.1-10.9 HG13 ILE 129 - HD3 ARG 90 far 0 89 0 - 8.6-10.9 HB2 LEU 48 - HD2 ARG 23 far 0 64 0 - 8.8-31.6 HB2 LEU 48 - HD3 ARG 23 far 0 65 0 - 9.2-30.9 Violated in 0 structures by 0.00 A. Peak 473 from aliabs.peaks (1.82, 3.16, 42.99 ppm; 3.62 A): 2 out of 21 assignments used, quality = 1.00: * HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 1.9-4.1 3.7=97, ~430=38...(18) HB3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.0-4.0 3.7=97, ~430=38...(18) HB3 LYS 26 - HD2 ARG 23 poor 20 100 20 - 3.6-13.7 HB3 LYS 26 - HD3 ARG 23 far 15 100 15 - 3.8-13.8 HB2 LYS 86 - HD2 ARG 90 poor 12 59 20 - 4.8-7.9 HB2 LYS 36 - HD3 ARG 23 far 5 100 5 - 4.3-27.6 HB3 LYS 31 - HD3 ARG 23 far 5 99 5 - 4.0-22.7 HB3 LYS 31 - HD2 ARG 23 far 5 99 5 - 3.4-22.9 HB3 LYS 19 - HD3 ARG 23 far 5 97 5 - 3.8-14.7 HB2 LYS 86 - HD3 ARG 90 far 3 63 5 - 4.3-9.1 HB3 LYS 19 - HD2 ARG 23 far 0 96 0 - 5.1-14.6 HB ILE 32 - HD3 ARG 23 far 0 99 0 - 5.2-22.3 HB2 LYS 36 - HD2 ARG 23 far 0 100 0 - 5.6-27.5 HB ILE 32 - HD2 ARG 23 far 0 98 0 - 5.7-22.2 HB VAL 93 - HD3 ARG 90 far 0 87 0 - 5.8-8.9 HB VAL 93 - HD2 ARG 90 far 0 84 0 - 5.9-8.4 HB3 LYS 24 - HD2 ARG 23 far 0 99 0 - 6.1-9.9 HB3 LYS 24 - HD3 ARG 23 far 0 100 0 - 6.7-9.7 HB2 ARG 84 - HD3 ARG 90 far 0 88 0 - 9.4-13.2 HB2 CYS 79 - HD2 ARG 90 far 0 81 0 - 9.8-14.6 HB2 ARG 84 - HD2 ARG 90 far 0 85 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 474 from aliabs.peaks (1.56, 3.16, 42.99 ppm; 3.59 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 22 - HD3 ARG 23 poor 17 85 20 - 2.6-8.4 HB2 LEU 22 - HD2 ARG 23 poor 14 84 25 67 3.7-8.1 6197/6.4=15, 420/4.9=14...(25) HG13 ILE 37 - HD2 ARG 23 far 0 97 0 - 8.6-28.9 HG13 ILE 37 - HD3 ARG 23 far 0 98 0 - 8.7-28.8 HG LEU 103 - HD2 ARG 23 far 0 99 0 - 9.6-31.9 Violated in 0 structures by 0.00 A. Peak 475 from aliabs.peaks (1.62, 3.16, 42.99 ppm; 3.66 A): 2 out of 14 assignments used, quality = 1.00: * HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 22 - HD3 ARG 23 far 10 100 10 - 4.2-9.6 HB3 LEU 22 - HD3 ARG 23 far 10 100 10 - 4.4-9.1 HB3 LEU 22 - HD2 ARG 23 far 5 100 5 - 4.8-8.8 HG LEU 22 - HD2 ARG 23 far 0 100 0 - 5.5-9.5 HD3 LYS 19 - HD3 ARG 23 far 0 63 0 - 6.3-15.4 HB2 LEU 98 - HD2 ARG 23 far 0 67 0 - 7.5-37.3 HD3 LYS 19 - HD2 ARG 23 far 0 62 0 - 7.6-15.2 HB2 LEU 98 - HD3 ARG 23 far 0 68 0 - 7.7-39.0 HG2 ARG 84 - HD3 ARG 90 far 0 77 0 - 9.6-14.5 HG2 ARG 84 - HD2 ARG 90 far 0 73 0 - 9.7-13.5 HG3 ARG 84 - HD3 ARG 90 far 0 71 0 - 9.9-14.4 HG3 ARG 84 - HD2 ARG 90 far 0 68 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 476 from aliabs.peaks (3.16, 3.16, 42.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 92 92 - 100 HD2 ARG 90 + HD2 ARG 90 OK 88 88 - 100 Reference assignment not found: HD2 ARG 23 - HD3 ARG 23 Peak 477 from aliabs.peaks (3.16, 3.16, 42.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 92 92 - 100 HD2 ARG 90 + HD2 ARG 90 OK 86 86 - 100 Peak 479 from aliabs.peaks (8.36, 4.33, 56.43 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 24 + HA LYS 24 OK 100 100 100 100 2.6-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 480 from aliabs.peaks (4.33, 4.33, 56.43 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 24 + HA LYS 24 OK 100 100 - 100 HA ASN 59 + HA ASN 59 OK 90 90 - 100 HA ASP 47 + HA ASP 47 OK 81 81 - 100 Peak 481 from aliabs.peaks (1.74, 4.33, 56.43 ppm; 3.03 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 23 - HA LYS 24 poor 20 99 20 - 4.1-6.2 HB2 LYS 26 - HA ASP 47 far 4 84 5 - 3.8-24.7 HB2 LYS 26 - HA LYS 24 far 0 100 0 - 5.7-9.7 HB2 LYS 19 - HA LYS 24 far 0 100 0 - 6.0-15.1 HB2 LYS 19 - HA ASP 47 far 0 84 0 - 6.0-37.8 HB2 LYS 31 - HA LYS 24 far 0 100 0 - 6.1-17.4 HB2 LYS 26 - HA ASN 59 far 0 91 0 - 7.1-20.7 HG LEU 100 - HA ASN 59 far 0 50 0 - 7.4-9.7 HB2 LYS 39 - HA LYS 24 far 0 87 0 - 7.5-31.8 HB2 ARG 23 - HA ASN 59 far 0 88 0 - 9.3-30.9 HB2 LYS 19 - HA ASN 59 far 0 91 0 - 9.6-37.9 Violated in 0 structures by 0.00 A. Peak 482 from aliabs.peaks (1.81, 4.33, 56.43 ppm; 2.86 A): 1 out of 16 assignments used, quality = 1.00: * HB3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.3-3.0 502=100, 1.8/491=65...(28) HB2 LYS 36 - HA LYS 24 far 5 100 5 - 2.6-26.7 HB3 LYS 19 - HA LYS 24 far 5 99 5 - 4.3-14.3 HB3 ARG 23 - HA LYS 24 far 0 100 0 - 4.4-5.8 HB3 LYS 26 - HA ASP 47 far 0 84 0 - 5.0-26.0 HB3 LYS 31 - HA LYS 24 far 0 100 0 - 5.2-16.9 HB3 LYS 26 - HA LYS 24 far 0 100 0 - 5.3-9.7 HB ILE 32 - HA LYS 24 far 0 100 0 - 5.8-17.4 HB3 LYS 19 - HA ASP 47 far 0 81 0 - 6.7-37.9 HB3 LEU 103 - HA ASN 59 far 0 68 0 - 6.9-8.4 HB3 LYS 26 - HA ASN 59 far 0 91 0 - 7.2-22.2 HB3 LEU 122 - HA LYS 24 far 0 73 0 - 8.7-28.6 HB3 LYS 19 - HA ASN 59 far 0 89 0 - 8.8-36.7 HB2 LEU 100 - HA ASN 59 far 0 88 0 - 9.1-11.0 HB3 LEU 122 - HA ASN 59 far 0 61 0 - 9.4-12.0 HB3 ARG 23 - HA ASN 59 far 0 91 0 - 9.8-29.5 Violated in 7 structures by 0.03 A. Peak 483 from aliabs.peaks (1.38, 4.33, 56.43 ppm; 3.02 A): 1 out of 37 assignments used, quality = 1.00: * HG2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.0-4.2 513=78, 1.8/484=57...(31) QB ALA 28 - HA LYS 24 far 15 99 15 - 1.8-11.7 HG3 LYS 26 - HA LYS 24 far 10 100 10 - 3.3-9.6 HG3 LYS 31 - HA LYS 24 far 10 98 10 - 3.7-16.5 QB ALA 108 - HA ASN 59 far 9 91 10 - 3.8-12.4 QB ALA 110 - HA ASN 59 far 9 90 10 - 3.5-14.4 QB ALA 29 - HA LYS 24 far 5 100 5 - 3.0-12.6 QB ALA 108 - HA LYS 24 far 5 100 5 - 3.7-31.5 QB ALA 109 - HA ASN 59 far 4 85 5 - 3.7-12.6 HG3 LYS 26 - HA ASP 47 far 4 83 5 - 3.8-25.9 QB ALA 21 - HA LYS 24 far 0 57 0 - 4.5-8.7 QB ALA 15 - HA LYS 24 far 0 100 0 - 4.8-16.2 HG2 LYS 36 - HA LYS 24 far 0 100 0 - 4.9-24.6 QB ALA 109 - HA LYS 24 far 0 97 0 - 5.5-33.3 HG2 LYS 19 - HA LYS 24 far 0 99 0 - 5.7-16.5 HG3 LYS 95 - HA LYS 24 far 0 98 0 - 5.9-34.3 QB ALA 16 - HA LYS 24 far 0 92 0 - 6.5-16.3 QB ALA 29 - HA ASP 47 far 0 84 0 - 6.7-17.8 HG2 LYS 19 - HA ASP 47 far 0 82 0 - 7.1-40.0 QB ALA 28 - HA ASN 59 far 0 88 0 - 7.2-18.5 HG2 LYS 95 - HA LYS 24 far 0 96 0 - 7.2-34.2 QB ALA 12 - HA LYS 24 far 0 89 0 - 7.3-16.0 QB ALA 16 - HA ASN 59 far 0 80 0 - 7.5-31.8 QB ALA 15 - HA ASP 47 far 0 83 0 - 7.5-31.1 QB ALA 29 - HA ASN 59 far 0 91 0 - 7.5-14.4 HB3 LEU 100 - HA ASN 59 far 0 91 0 - 7.6-10.0 QB ALA 21 - HA ASN 59 far 0 47 0 - 7.6-30.1 QB ALA 12 - HA ASN 59 far 0 76 0 - 7.8-36.1 HG3 LYS 26 - HA ASN 59 far 0 90 0 - 7.9-22.8 QB ALA 110 - HA LYS 24 far 0 99 0 - 8.2-36.4 QB ALA 28 - HA ASP 47 far 0 81 0 - 8.3-20.8 HB2 LEU 42 - HA LYS 24 far 0 100 0 - 8.7-28.4 HG2 LYS 19 - HA ASN 59 far 0 90 0 - 9.0-39.5 HB2 LEU 42 - HA ASP 47 far 0 84 0 - 9.2-11.3 QB ALA 15 - HA ASN 59 far 0 90 0 - 9.5-35.5 QB ALA 16 - HA ASP 47 far 0 72 0 - 9.7-29.6 HG LEU 96 - HA LYS 24 far 0 81 0 - 10.0-28.3 Violated in 12 structures by 0.36 A. Peak 484 from aliabs.peaks (1.45, 4.33, 56.43 ppm; 3.38 A): 1 out of 10 assignments used, quality = 1.00: * HG3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.0-4.2 524=90, 1.8/483=81...(34) HG2 LYS 31 - HA LYS 24 far 10 98 10 - 3.7-16.9 HG3 LYS 36 - HA LYS 24 far 5 97 5 - 4.2-25.1 HG2 LYS 26 - HA LYS 24 far 4 89 5 - 4.0-10.3 HG13 ILE 32 - HA LYS 24 far 4 85 5 - 3.6-15.3 HG2 LYS 26 - HA ASP 47 far 3 69 5 - 3.4-26.3 HG3 LYS 19 - HA ASP 47 far 0 79 0 - 5.4-40.0 HG3 LYS 19 - HA LYS 24 far 0 97 0 - 5.6-16.0 HG2 LYS 26 - HA ASN 59 far 0 76 0 - 7.5-23.3 QB ALA 92 - HA ASP 47 far 0 67 0 - 9.6-12.2 Violated in 17 structures by 0.40 A. Peak 485 from aliabs.peaks (1.66, 4.33, 56.43 ppm; 3.62 A): 3 out of 30 assignments used, quality = 1.00: HD3 LYS 24 + HA LYS 24 OK 99 99 100 100 2.2-5.0 3.0/483=66, 3.0/484=60...(32) * HD2 LYS 24 + HA LYS 24 OK 95 100 95 100 2.5-5.5 3.0/483=66, 3.0/484=60...(32) HG LEU 62 + HA ASN 59 OK 74 78 95 99 3.6-5.1 2.1/9388=64, 3.0/1880=47...(23) HD2 LYS 26 - HA LYS 24 far 10 100 10 - 4.2-10.7 HD2 LYS 31 - HA LYS 24 far 10 99 10 - 3.4-16.8 HD3 LYS 19 - HA LYS 24 far 9 95 10 - 4.4-16.0 HD2 LYS 36 - HA LYS 24 far 5 100 5 - 3.2-22.6 HD3 LYS 36 - HA LYS 24 far 5 100 5 - 4.9-23.1 HD3 LYS 31 - HA LYS 24 far 5 100 5 - 4.9-18.1 HB2 LEU 98 - HA LYS 24 far 5 92 5 - 2.5-34.9 HD3 LYS 26 - HA LYS 24 far 0 100 0 - 5.5-10.1 HD2 LYS 26 - HA ASP 47 far 0 84 0 - 5.8-27.9 HD3 LYS 26 - HA ASP 47 far 0 84 0 - 6.1-27.8 HD2 LYS 19 - HA LYS 24 far 0 97 0 - 6.1-15.5 HD2 LYS 19 - HA ASP 47 far 0 78 0 - 6.6-39.9 HB2 LEU 123 - HA ASN 59 far 0 84 0 - 7.2-12.3 HB2 LEU 69 - HA ASP 47 far 0 78 0 - 7.5-10.9 HD2 LYS 39 - HA LYS 24 far 0 87 0 - 7.5-34.8 HD3 LYS 26 - HA ASN 59 far 0 91 0 - 7.7-23.3 HG LEU 43 - HA ASP 47 far 0 67 0 - 7.7-9.6 HD3 LYS 19 - HA ASP 47 far 0 75 0 - 8.1-41.4 HB2 LEU 123 - HA ASP 47 far 0 76 0 - 8.3-12.2 HD3 LYS 95 - HA LYS 24 far 0 100 0 - 8.5-33.8 HD2 LYS 95 - HA LYS 24 far 0 99 0 - 8.5-35.3 HD2 LYS 24 - HA ASP 47 far 0 84 0 - 8.6-31.6 HD2 LYS 26 - HA ASN 59 far 0 91 0 - 9.1-23.9 HD3 LYS 24 - HA ASP 47 far 0 81 0 - 9.3-30.3 HD2 LYS 19 - HA ASN 59 far 0 85 0 - 9.4-38.8 HD3 LYS 36 - HA ASP 47 far 0 84 0 - 9.4-18.3 HD2 LYS 36 - HA ASP 47 far 0 84 0 - 9.9-18.5 Violated in 2 structures by 0.01 A. Peak 486 from aliabs.peaks (1.65, 4.33, 56.43 ppm; 3.62 A): 3 out of 30 assignments used, quality = 1.00: * HD3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.2-5.0 3.0/483=66, 3.0/484=60...(32) HD2 LYS 24 + HA LYS 24 OK 94 99 95 100 2.5-5.5 3.0/483=66, 3.0/484=60...(32) HG LEU 62 + HA ASN 59 OK 83 88 95 99 3.6-5.1 2.1/9388=64, 3.0/1880=47...(23) HD2 LYS 31 - HA LYS 24 far 10 100 10 - 3.4-16.8 HD3 LYS 19 - HA LYS 24 far 10 100 10 - 4.4-16.0 HD2 LYS 26 - HA LYS 24 far 10 99 10 - 4.2-10.7 HD3 LYS 31 - HA LYS 24 far 5 100 5 - 4.9-18.1 HB2 LEU 98 - HA LYS 24 far 5 99 5 - 2.5-34.9 HD3 LYS 36 - HA LYS 24 far 5 99 5 - 4.9-23.1 HD2 LYS 36 - HA LYS 24 far 5 98 5 - 3.2-22.6 HD3 LYS 26 - HA LYS 24 far 0 98 0 - 5.5-10.1 HD2 LYS 26 - HA ASP 47 far 0 82 0 - 5.8-27.9 HD3 LYS 26 - HA ASP 47 far 0 80 0 - 6.1-27.8 HD2 LYS 19 - HA LYS 24 far 0 100 0 - 6.1-15.5 HD2 LYS 19 - HA ASP 47 far 0 84 0 - 6.6-39.9 HB2 LEU 123 - HA ASN 59 far 0 91 0 - 7.2-12.3 HB2 LEU 69 - HA ASP 47 far 0 84 0 - 7.5-10.9 HD2 LYS 39 - HA LYS 24 far 0 68 0 - 7.5-34.8 HD3 LYS 26 - HA ASN 59 far 0 87 0 - 7.7-23.3 HG LEU 43 - HA ASP 47 far 0 79 0 - 7.7-9.6 HD3 LYS 19 - HA ASP 47 far 0 83 0 - 8.1-41.4 HB2 LEU 123 - HA ASP 47 far 0 83 0 - 8.3-12.2 HD3 LYS 95 - HA LYS 24 far 0 99 0 - 8.5-33.8 HD2 LYS 95 - HA LYS 24 far 0 100 0 - 8.5-35.3 HD2 LYS 24 - HA ASP 47 far 0 81 0 - 8.6-31.6 HD2 LYS 26 - HA ASN 59 far 0 90 0 - 9.1-23.9 HD3 LYS 24 - HA ASP 47 far 0 84 0 - 9.3-30.3 HD2 LYS 19 - HA ASN 59 far 0 91 0 - 9.4-38.8 HD3 LYS 36 - HA ASP 47 far 0 81 0 - 9.4-18.3 HD2 LYS 36 - HA ASP 47 far 0 80 0 - 9.9-18.5 Violated in 2 structures by 0.01 A. Peak 491 from aliabs.peaks (4.33, 1.74, 32.59 ppm; 3.04 A): 1 out of 18 assignments used, quality = 1.00: * HA LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASP 47 - HB2 LYS 26 far 5 99 5 - 3.8-24.7 HA GLN 134 - HB2 LYS 39 far 4 35 10 - 3.6-10.8 HA LYS 24 - HB2 LYS 26 far 0 100 0 - 5.7-9.7 HA PRO 81 - HB2 LYS 39 far 0 58 0 - 5.9-12.8 HA LYS 24 - HB2 LYS 19 far 0 100 0 - 6.0-15.1 HA ASP 47 - HB2 LYS 19 far 0 99 0 - 6.0-37.8 HA LYS 24 - HB2 LYS 31 far 0 100 0 - 6.1-17.4 HA TYR 76 - HB2 LYS 39 far 0 38 0 - 6.8-9.6 HA ASN 59 - HB2 LYS 26 far 0 100 0 - 7.1-20.7 HA LYS 24 - HB2 LYS 39 far 0 58 0 - 7.5-31.8 HA2 GLY 75 - HB2 LYS 31 far 0 100 0 - 7.6-23.3 HA ASP 131 - HB2 LYS 39 far 0 40 0 - 7.9-14.5 HA LEU 69 - HB2 LYS 39 far 0 43 0 - 8.8-13.9 HA2 GLY 75 - HB2 LYS 39 far 0 57 0 - 9.5-13.5 HA LEU 69 - HB2 LYS 24 far 0 85 0 - 9.6-22.0 HA ASN 59 - HB2 LYS 19 far 0 100 0 - 9.6-37.9 HA LEU 69 - HB2 LYS 31 far 0 84 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 492 from aliabs.peaks (1.74, 1.74, 32.59 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 HB2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 44 44 - 100 Peak 493 from aliabs.peaks (1.81, 1.74, 32.59 ppm; 2.50 A): 4 out of 33 assignments used, quality = 1.00: * HB3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 ARG 23 - HB2 LYS 26 far 15 100 15 - 2.2-12.8 HB3 LYS 19 - HB2 LYS 24 far 15 99 15 - 1.9-15.0 HB3 LYS 31 - HB2 LYS 26 poor 14 100 35 41 1.9-14.9 617=3, 6332/799=3...(26) HB3 LYS 26 - HB2 LYS 31 poor 9 100 25 38 2.0-14.1 6332/6331=3, 3.0/639=2...(11) HB3 LYS 31 - HB2 LYS 19 far 5 100 5 - 1.9-25.4 HB2 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.3-29.5 HB3 LYS 26 - HB2 LYS 19 far 5 100 5 - 3.6-22.7 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 4.0-14.4 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 4.3-15.5 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 4.5-22.1 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 4.7-10.3 HB3 LYS 19 - HB2 LYS 31 far 0 99 0 - 4.8-27.2 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 4.9-18.1 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 5.0-25.1 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 5.1-20.1 HB3 ARG 23 - HB2 LYS 24 far 0 100 0 - 5.2-7.4 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.2-10.9 HB3 ARG 23 - HB2 LYS 31 far 0 100 0 - 5.4-20.6 HB ILE 32 - HB2 LYS 31 far 0 100 0 - 5.5-7.0 HB2 CYS 79 - HB2 LYS 39 far 0 47 0 - 5.7-8.9 HB3 ARG 23 - HB2 LYS 19 far 0 100 0 - 6.1-14.6 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.1-18.4 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.2-14.4 HB3 LEU 103 - HB2 LYS 26 far 0 80 0 - 7.8-23.4 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 8.3-25.2 HB3 ARG 135 - HB2 LYS 39 far 0 57 0 - 8.4-15.3 HB2 LEU 100 - HB2 LYS 26 far 0 99 0 - 8.8-21.4 HB2 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.5-34.1 HB2 CYS 79 - HB2 LYS 19 far 0 90 0 - 9.5-37.6 Violated in 0 structures by 0.00 A. Peak 494 from aliabs.peaks (1.38, 1.74, 32.59 ppm; 3.53 A): 5 out of 63 assignments used, quality = 1.00: * HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.3-3.0 3.0=100 HG3 LYS 31 + HB2 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 31 OK 35 99 40 87 2.0-14.6 639=9, 1.8/628=6...(67) HG2 LYS 24 - HB2 LYS 19 poor 20 100 20 - 3.7-16.8 HG2 LYS 19 - HB2 LYS 24 poor 20 99 20 - 3.4-16.9 QB ALA 28 - HB2 LYS 24 poor 20 99 20 - 3.6-11.7 QB ALA 15 - HB2 LYS 19 far 15 100 15 - 3.2-11.8 QB ALA 15 - HB2 LYS 31 far 15 99 15 - 2.9-21.5 QB ALA 28 - HB2 LYS 31 far 15 98 15 - 3.9-8.1 HG3 LYS 31 - HB2 LYS 26 far 15 98 15 - 3.1-14.0 QB ALA 16 - HB2 LYS 19 far 14 92 15 - 4.3-10.2 QB ALA 12 - HB2 LYS 19 far 13 88 15 - 3.2-16.2 HG3 LYS 31 - HB2 LYS 24 far 10 98 10 - 3.7-17.1 HG3 LYS 31 - HB2 LYS 19 far 10 98 10 - 2.7-23.1 HG2 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.2-11.2 QB ALA 29 - HB2 LYS 24 far 5 100 5 - 4.1-11.9 QB ALA 108 - HB2 LYS 24 far 5 100 5 - 4.3-30.9 HG2 LYS 36 - HB2 LYS 24 far 5 100 5 - 4.2-27.3 QB ALA 108 - HB2 LYS 26 far 5 100 5 - 4.5-25.6 QB ALA 29 - HB2 LYS 26 far 5 100 5 - 5.0-8.6 QB ALA 15 - HB2 LYS 24 far 5 100 5 - 4.0-16.1 QB ALA 110 - HB2 LYS 26 far 5 99 5 - 4.6-29.1 QB ALA 28 - HB2 LYS 26 far 5 99 5 - 4.9-6.6 QB ALA 28 - HB2 LYS 19 far 5 99 5 - 5.0-20.0 QB ALA 16 - HB2 LYS 31 far 5 91 5 - 3.9-22.2 QB ALA 12 - HB2 LYS 31 far 4 88 5 - 4.2-20.5 HB2 LEU 42 - HB2 LYS 39 far 3 57 5 - 4.9-6.9 QB ALA 21 - HB2 LYS 24 far 3 57 5 - 5.0-9.8 QB ALA 21 - HB2 LYS 19 far 0 57 0 - 5.1-7.3 HG2 LYS 19 - HB2 LYS 31 far 0 99 0 - 5.2-27.3 QB ALA 110 - HB2 LYS 19 far 0 99 0 - 5.2-44.1 HG3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.4-11.1 HG2 LYS 36 - HB2 LYS 26 far 0 100 0 - 5.5-22.8 HG2 LYS 24 - HB2 LYS 31 far 0 100 0 - 5.6-19.7 QB ALA 29 - HB2 LYS 31 far 0 100 0 - 5.6-7.8 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 6.0-22.5 QB ALA 12 - HB2 LYS 24 far 0 89 0 - 6.0-16.8 QB ALA 29 - HB2 LYS 19 far 0 100 0 - 6.4-20.3 HG2 LYS 19 - HB2 LYS 26 far 0 99 0 - 6.4-24.5 QB ALA 21 - HB2 LYS 39 far 0 26 0 - 6.5-30.8 HG2 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.5-12.1 QB ALA 109 - HB2 LYS 26 far 0 96 0 - 6.6-26.4 QB ALA 109 - HB2 LYS 24 far 0 97 0 - 6.6-32.7 QB ALA 16 - HB2 LYS 24 far 0 92 0 - 6.8-16.1 QB ALA 21 - HB2 LYS 26 far 0 57 0 - 6.9-14.0 HG3 LYS 95 - HB2 LYS 24 far 0 98 0 - 7.0-33.7 QB ALA 21 - HB2 LYS 31 far 0 57 0 - 7.1-18.9 QB ALA 109 - HB2 LYS 19 far 0 96 0 - 7.3-41.6 HG2 LYS 36 - HB2 LYS 19 far 0 100 0 - 7.3-32.2 QB ALA 15 - HB2 LYS 26 far 0 100 0 - 7.6-20.4 QB ALA 16 - HB2 LYS 26 far 0 92 0 - 7.8-20.6 HG2 LYS 95 - HB2 LYS 24 far 0 96 0 - 7.9-33.5 HG2 LYS 24 - HB2 LYS 39 far 0 58 0 - 8.0-31.6 QB ALA 12 - HB2 LYS 26 far 0 89 0 - 8.3-21.0 QB ALA 16 - HB2 LYS 39 far 0 48 0 - 8.9-31.7 QB ALA 12 - HB2 LYS 39 far 0 45 0 - 8.9-34.9 QB ALA 108 - HB2 LYS 19 far 0 100 0 - 9.4-40.4 HG2 LYS 36 - HB2 LYS 39 far 0 57 0 - 9.5-14.0 HB3 LEU 100 - HB2 LYS 26 far 0 100 0 - 9.6-21.1 QB ALA 108 - HB2 LYS 31 far 0 100 0 - 9.7-26.1 QB ALA 110 - HB2 LYS 24 far 0 99 0 - 9.9-36.0 Violated in 0 structures by 0.00 A. Peak 495 from aliabs.peaks (1.45, 1.74, 32.59 ppm; 3.44 A): 6 out of 27 assignments used, quality = 1.00: * HG3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 31 OK 23 88 30 85 1.9-15.6 628=7, 1.8/639=6...(61) HG2 LYS 31 + HB2 LYS 26 OK 21 98 25 85 3.5-15.2 823=6, 619/1.8=4...(76) HG13 ILE 32 - HB2 LYS 31 poor 17 84 20 - 4.2-6.6 HG3 LYS 24 - HB2 LYS 19 poor 16 100 25 63 3.6-16.4 823=4, 822/3.0=3...(24) HG13 ILE 32 - HB2 LYS 26 poor 15 85 35 51 2.7-13.3 919/6343=8, 6264/6262=5...(18) HG3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.9-11.4 HG2 LYS 31 - HB2 LYS 24 far 5 98 5 - 4.1-17.7 HG2 LYS 31 - HB2 LYS 19 far 5 98 5 - 3.6-24.3 HG3 LYS 19 - HB2 LYS 24 far 5 97 5 - 2.7-16.0 HG3 LYS 19 - HB2 LYS 31 far 5 97 5 - 4.6-28.5 HG3 LYS 36 - HB2 LYS 24 far 5 97 5 - 2.7-27.9 HG3 LYS 36 - HB2 LYS 26 far 5 96 5 - 3.8-23.1 HG3 LYS 36 - HB2 LYS 31 far 5 96 5 - 4.9-12.3 HG2 LYS 26 - HB2 LYS 24 far 0 89 0 - 5.2-11.5 HG13 ILE 32 - HB2 LYS 24 far 0 85 0 - 5.6-18.1 HG3 LYS 19 - HB2 LYS 26 far 0 97 0 - 6.0-24.0 HG2 LYS 26 - HB2 LYS 19 far 0 88 0 - 6.0-23.9 HG13 ILE 32 - HB2 LYS 19 far 0 85 0 - 6.7-23.1 HG3 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.7-18.1 HG3 LYS 36 - HB2 LYS 19 far 0 96 0 - 7.5-32.1 HG3 LYS 86 - HB2 LYS 39 far 0 29 0 - 9.3-14.9 HG3 LYS 24 - HB2 LYS 39 far 0 58 0 - 9.7-30.3 HG3 LYS 19 - HB2 LYS 39 far 0 53 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 496 from aliabs.peaks (1.66, 1.74, 32.59 ppm; 4.74 A): 15 out of 55 assignments used, quality = 1.00: * HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.9-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 94 94 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 31 OK 54 100 55 98 2.4-15.6 2.9/639=8, 2.9/628=8...(164) HD2 LYS 26 + HB2 LYS 31 OK 44 100 45 99 3.3-16.0 2.9/639=8, 2.9/628=8...(183) HD2 LYS 39 + HB2 LYS 39 OK 44 44 100 100 2.3-3.5 3.6=100 HD2 LYS 31 + HB2 LYS 26 OK 39 99 40 99 4.5-13.8 10771/10770=19...(198) HG LEU 43 + HB2 LYS 39 OK 37 44 85 99 4.3-7.0 ~11901=55, ~9119=41...(20) HD3 LYS 24 + HB2 LYS 19 OK 28 99 30 96 4.7-15.4 3.0/823=5, 2631/1.8=4...(147) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 100 4.1-13.7 10771/10770=16...(221) HD2 LYS 19 - HB2 LYS 24 poor 18 97 35 52 4.1-16.1 305=2, 5.2/790=2...(8) HD2 LYS 24 - HB2 LYS 19 far 15 100 15 - 3.7-16.1 HD3 LYS 19 - HB2 LYS 24 poor 13 95 25 55 2.7-16.8 5.2/790=2, 1.8/305=2...(8) HD2 LYS 36 - HB2 LYS 26 far 10 100 10 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.0-25.5 HD2 LYS 24 - HB2 LYS 26 far 5 100 5 - 3.6-12.6 HD3 LYS 36 - HB2 LYS 24 far 5 100 5 - 4.2-25.9 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-23.5 HD3 LYS 26 - HB2 LYS 19 far 5 100 5 - 5.6-21.9 HD2 LYS 36 - HB2 LYS 31 far 5 100 5 - 5.5-12.6 HD3 LYS 36 - HB2 LYS 26 far 5 100 5 - 6.1-21.8 HD2 LYS 26 - HB2 LYS 24 far 5 100 5 - 6.1-12.1 HD3 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 19 far 5 100 5 - 6.2-21.7 HD2 LYS 31 - HB2 LYS 24 far 5 99 5 - 4.7-17.2 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.1-23.0 HD3 LYS 24 - HB2 LYS 26 far 5 99 5 - 2.0-12.6 HD3 LYS 24 - HB2 LYS 31 far 5 98 5 - 6.2-19.4 HD2 LYS 19 - HB2 LYS 31 far 5 96 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 94 5 - 5.5-29.5 HB2 LEU 98 - HB2 LYS 24 far 5 92 5 - 5.1-34.5 HB2 LEU 98 - HB2 LYS 26 far 0 92 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 94 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 96 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 58 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 55 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 58 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 87 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 90 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 97 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 52 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 87 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 58 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 57 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 497 from aliabs.peaks (1.65, 1.74, 32.59 ppm; 4.74 A): 15 out of 55 assignments used, quality = 1.00: * HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.2-4.1 3.9=100 HD2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.5-4.2 3.9=100 HD3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.1-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 98 98 100 100 2.0-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 31 OK 53 98 55 98 2.4-15.6 2.9/639=8, 2.9/628=8...(164) HG LEU 43 + HB2 LYS 39 OK 45 53 85 99 4.3-7.0 ~11901=55, ~9119=41...(20) HD2 LYS 26 + HB2 LYS 31 OK 44 99 45 99 3.3-16.0 2.9/639=8, 2.9/628=8...(183) HD2 LYS 31 + HB2 LYS 26 OK 40 100 40 99 4.5-13.8 10771/10770=18...(197) HD2 LYS 39 + HB2 LYS 39 OK 32 32 100 100 2.3-3.5 3.6=100 HD3 LYS 24 + HB2 LYS 19 OK 29 100 30 96 4.7-15.4 3.0/823=5, 2632/1.8=4...(147) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 99 4.1-13.7 10771/10770=15...(221) HD2 LYS 19 - HB2 LYS 24 poor 18 100 35 52 4.1-16.1 305=2, 5.2/790=2...(8) HD2 LYS 24 - HB2 LYS 19 far 15 99 15 - 3.7-16.1 HD3 LYS 19 - HB2 LYS 24 poor 14 100 25 55 2.7-16.8 5.2/790=2, 1.8/305=2...(8) HD2 LYS 36 - HB2 LYS 26 far 10 98 10 - 5.6-20.8 HD3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.0-12.6 HD2 LYS 31 - HB2 LYS 24 far 5 100 5 - 4.7-17.2 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-23.0 HD2 LYS 19 - HB2 LYS 31 far 5 100 5 - 4.9-28.2 HD3 LYS 24 - HB2 LYS 31 far 5 100 5 - 6.2-19.4 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-23.5 HD3 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.9-18.6 HD3 LYS 19 - HB2 LYS 31 far 5 99 5 - 5.5-29.5 HD2 LYS 26 - HB2 LYS 24 far 5 99 5 - 6.1-12.1 HD2 LYS 26 - HB2 LYS 19 far 5 99 5 - 6.2-21.7 HB2 LEU 98 - HB2 LYS 24 far 5 99 5 - 5.1-34.5 HD2 LYS 24 - HB2 LYS 26 far 5 99 5 - 3.6-12.6 HD3 LYS 36 - HB2 LYS 24 far 5 99 5 - 4.2-25.9 HD2 LYS 36 - HB2 LYS 24 far 5 98 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 26 far 5 99 5 - 6.1-21.8 HD3 LYS 26 - HB2 LYS 19 far 5 98 5 - 5.6-21.9 HD2 LYS 36 - HB2 LYS 31 far 5 98 5 - 5.5-12.6 HB2 LEU 98 - HB2 LYS 26 far 0 99 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 98 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 100 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 98 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 100 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 98 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 55 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 58 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 54 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 68 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 99 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 100 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 57 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 97 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 55 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 57 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 498 from aliabs.peaks (2.95, 1.74, 32.59 ppm; 5.83 A): 17 out of 50 assignments used, quality = 1.00: * HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.1-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-5.2 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.9 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 98 98 100 100 2.6-5.5 4.8=100 HE3 LYS 26 + HB2 LYS 31 OK 57 98 60 98 3.4-17.3 3.6/639=9, 3.6/628=8...(177) HE2 LYS 26 + HB2 LYS 31 OK 53 99 55 98 3.2-17.5 3.6/639=9, 3.6/628=8...(181) HE3 LYS 24 + HB2 LYS 19 OK 38 99 40 96 5.3-18.0 4.0/823=5, 2634/1.8=5...(167) HE2 LYS 39 + HB2 LYS 39 OK 35 35 100 100 3.0-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 35 35 100 100 3.7-4.5 4.9=100 HE3 LYS 31 + HB2 LYS 26 OK 32 100 35 92 4.2-12.2 3.7/834=8, 3.7/823=7...(135) HE2 LYS 31 + HB2 LYS 26 OK 32 99 35 92 4.4-12.8 3.7/834=8, 3.7/823=7...(138) HE2 LYS 24 + HB2 LYS 19 OK 29 100 30 96 4.1-17.5 4.0/823=5, 2634/1.8=5...(164) HE2 LYS 19 + HB2 LYS 24 OK 25 100 35 72 3.8-18.2 6.4/790=2, 2.9/305=2...(39) HE3 LYS 19 - HB2 LYS 24 poor 18 100 30 61 4.9-17.5 532/2.9=2, 6.4/790=2...(34) HE2 LYS 24 - HB2 LYS 26 far 10 100 10 - 4.0-13.1 HE2 LYS 24 - HB2 LYS 31 far 10 100 10 - 4.9-20.2 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.9-25.9 HE3 LYS 24 - HB2 LYS 26 far 10 99 10 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 24 far 10 99 10 - 1.9-26.5 HE2 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.2-25.0 HE2 LYS 36 - HB2 LYS 31 poor 8 99 25 31 3.5-12.9 6337/6331=2, ~2634=1 HE3 LYS 36 - HB2 LYS 31 poor 6 99 25 26 4.9-12.6 6337/6331=3, 2634/1.8=1 HE2 LYS 26 - HB2 LYS 24 lone 6 99 35 17 5.6-12.3 9587/11151=5, 3.6/834=2 HE3 LYS 26 - HB2 LYS 24 poor 5 98 25 22 5.3-12.3 9587/11151=7, 3.6/834=2 HE2 LYS 36 - HB2 LYS 26 poor 5 99 25 20 3.3-22.3 10721/10748=2 HE3 LYS 31 - HB2 LYS 24 far 5 100 5 - 6.7-18.7 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 7.1-27.9 HE3 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.6-27.4 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 7.3-27.5 HE2 LYS 31 - HB2 LYS 24 far 5 99 5 - 6.9-18.8 HE3 LYS 24 - HB2 LYS 31 far 5 99 5 - 5.8-20.7 HE2 LYS 26 - HB2 LYS 19 far 5 99 5 - 6.8-24.3 HE3 LYS 36 - HB2 LYS 26 lone 4 99 25 17 4.9-22.7 10721/10748=3 HB2 CYS 45 - HB2 LYS 26 far 4 87 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 0 83 0 - 7.9-33.7 HE3 LYS 26 - HB2 LYS 19 far 0 98 0 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.2-24.9 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 55 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 86 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 73 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 44 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 55 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 87 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 56 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 499 from aliabs.peaks (2.94, 1.74, 32.59 ppm; 6.06 A): 18 out of 49 assignments used, quality = 1.00: * HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.1-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 1.8-4.7 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 98 98 100 100 3.2-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 96 96 100 100 2.0-5.2 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 95 95 100 100 2.0-4.9 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 92 92 100 100 2.6-5.5 4.8=100 HE3 LYS 26 + HB2 LYS 31 OK 54 91 60 98 3.4-17.3 3.6/639=9, 3.6/628=8...(177) HE2 LYS 26 + HB2 LYS 31 OK 52 95 55 98 3.2-17.5 3.6/639=9, 3.6/628=8...(181) HE2 LYS 31 + HB2 LYS 26 OK 44 96 50 93 4.4-12.8 3.7/834=8, 3.7/823=7...(142) HE2 LYS 39 + HB2 LYS 39 OK 44 44 100 100 3.0-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 44 44 100 100 3.7-4.5 4.9=100 HE3 LYS 24 + HB2 LYS 19 OK 39 100 40 96 5.3-18.0 4.0/823=5, 2634/1.8=5...(175) HE3 LYS 31 + HB2 LYS 26 OK 32 99 35 93 4.2-12.2 3.7/834=8, 3.7/823=7...(142) HE2 LYS 24 + HB2 LYS 19 OK 29 99 30 97 4.1-17.5 4.0/823=5, 2634/1.8=5...(173) HE2 LYS 19 + HB2 LYS 24 OK 25 98 35 74 3.8-18.2 6.4/790=2, 532/2.9=2...(56) HE3 LYS 19 + HB2 LYS 24 OK 22 98 35 64 4.9-17.5 532/2.9=2, 6.4/790=2...(44) HE3 LYS 24 - HB2 LYS 26 far 10 100 10 - 4.4-13.6 HE2 LYS 24 - HB2 LYS 26 far 10 99 10 - 4.0-13.1 HE3 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.9-25.9 HE2 LYS 24 - HB2 LYS 31 far 10 99 10 - 4.9-20.2 HE2 LYS 31 - HB2 LYS 19 far 10 95 10 - 5.2-25.0 HE2 LYS 36 - HB2 LYS 24 far 9 95 10 - 1.9-26.5 HE3 LYS 36 - HB2 LYS 31 poor 8 94 30 28 4.9-12.6 6337/6331=3, 2634/1.8=1 HE2 LYS 36 - HB2 LYS 31 poor 8 94 25 33 3.5-12.9 6337/6331=2, ~2634=1 HE2 LYS 26 - HB2 LYS 24 lone 7 96 40 18 5.6-12.3 9587/11151=6, 3.6/834=2 HE3 LYS 26 - HB2 LYS 24 poor 6 92 30 23 5.3-12.3 9587/11151=8, 3.6/834=2 HE2 LYS 36 - HB2 LYS 26 poor 6 94 30 21 3.3-22.3 10721/10748=2 HE3 LYS 36 - HB2 LYS 26 lone 5 94 30 18 4.9-22.7 10721/10748=2 HE3 LYS 24 - HB2 LYS 31 far 5 100 5 - 5.8-20.7 HE3 LYS 31 - HB2 LYS 24 far 5 99 5 - 6.7-18.7 HE3 LYS 19 - HB2 LYS 31 far 5 98 5 - 7.1-27.9 HE2 LYS 19 - HB2 LYS 31 far 5 98 5 - 7.3-27.5 HE2 LYS 31 - HB2 LYS 24 far 5 96 5 - 6.9-18.8 HE2 LYS 26 - HB2 LYS 19 far 5 95 5 - 6.8-24.3 HB2 CYS 45 - HB2 LYS 26 far 5 96 5 - 7.3-23.2 HE3 LYS 36 - HB2 LYS 24 far 5 95 5 - 3.6-27.4 HB3 ASN 116 - HB2 LYS 24 far 0 93 0 - 7.9-33.7 HE3 LYS 26 - HB2 LYS 19 far 0 92 0 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 0 98 0 - 8.2-24.9 HE3 LYS 36 - HB2 LYS 19 far 0 94 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 98 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 50 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 95 0 - 9.2-18.1 HB2 CYS 45 - HB2 LYS 39 far 0 51 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 50 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 96 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 58 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 502 from aliabs.peaks (4.33, 1.81, 32.59 ppm; 3.03 A): 1 out of 16 assignments used, quality = 1.00: * HA LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 24 - HB3 LYS 19 far 5 97 5 - 4.3-14.3 HA LYS 24 - HB2 LYS 36 far 4 81 5 - 2.6-26.7 HA LEU 69 - HB2 LYS 36 far 0 62 0 - 4.8-11.6 HA ASP 47 - HB3 LYS 26 far 0 99 0 - 5.0-26.0 HA LYS 24 - HB3 LYS 31 far 0 100 0 - 5.2-16.9 HA LYS 24 - HB3 LYS 26 far 0 100 0 - 5.3-9.7 HA ASP 47 - HB3 LYS 19 far 0 94 0 - 6.7-37.9 HA ASN 59 - HB3 LYS 26 far 0 100 0 - 7.2-22.2 HA2 GLY 75 - HB2 LYS 36 far 0 80 0 - 7.9-17.8 HA2 GLY 75 - HB3 LYS 31 far 0 99 0 - 8.1-24.1 HA TYR 76 - HB2 LYS 36 far 0 57 0 - 8.8-18.0 HA ASN 59 - HB3 LYS 19 far 0 96 0 - 8.8-36.7 HA LEU 69 - HB3 LYS 26 far 0 85 0 - 9.1-19.9 HA LEU 69 - HB3 LYS 31 far 0 84 0 - 9.6-17.0 HA LEU 69 - HB3 LYS 24 far 0 85 0 - 9.6-21.3 Violated in 0 structures by 0.00 A. Peak 503 from aliabs.peaks (1.74, 1.81, 32.59 ppm; 2.50 A): 4 out of 27 assignments used, quality = 1.00: * HB2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 1.8-1.8 1.8=100 HB2 LYS 24 - HB3 LYS 19 far 15 97 15 - 1.9-15.0 HB2 LYS 26 - HB3 LYS 31 poor 14 100 35 41 1.9-14.9 799/6332=3, 251=3...(26) HB2 ARG 23 - HB3 LYS 26 far 10 99 10 - 2.4-12.4 HB2 LYS 31 - HB3 LYS 26 poor 10 100 25 38 2.0-14.1 6331/6332=3, 639/3.0=2...(11) HB2 LYS 19 - HB3 LYS 31 far 5 100 5 - 1.9-25.4 HB2 LYS 19 - HB3 LYS 26 far 5 100 5 - 3.6-22.7 HB2 ARG 23 - HB3 LYS 31 far 5 98 5 - 3.6-20.4 HB2 LYS 24 - HB2 LYS 36 far 4 81 5 - 3.3-29.5 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 4.0-14.4 HB2 LYS 26 - HB3 LYS 19 far 0 97 0 - 4.5-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 4.7-7.6 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 4.7-10.3 HB2 LYS 31 - HB3 LYS 19 far 0 97 0 - 4.8-27.2 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 4.9-18.1 HB2 LYS 26 - HB2 LYS 36 far 0 81 0 - 5.0-25.1 HB2 ARG 23 - HB3 LYS 19 far 0 94 0 - 5.1-13.2 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 5.2-10.9 HB2 ARG 23 - HB2 LYS 36 far 0 78 0 - 5.9-26.6 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.1-18.4 HB2 LYS 31 - HB2 LYS 36 far 0 81 0 - 6.2-14.4 HG LEU 100 - HB3 LYS 26 far 0 60 0 - 7.7-21.8 HB2 LYS 19 - HB2 LYS 36 far 0 81 0 - 9.5-34.1 HG LEU 100 - HB3 LYS 24 far 0 60 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 504 from aliabs.peaks (1.81, 1.81, 32.59 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB3 LYS 26 + HB3 LYS 26 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 95 95 - 100 HB2 LYS 36 + HB2 LYS 36 OK 81 81 - 100 Peak 505 from aliabs.peaks (1.38, 1.81, 32.59 ppm; 3.57 A): 7 out of 70 assignments used, quality = 1.00: * HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.5-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 34 99 40 85 2.2-16.3 1.8/629=7, 640=7...(74) HG3 LYS 31 + HB3 LYS 26 OK 31 98 35 89 3.3-14.9 640=5, 1.8/284=4...(110) HG2 LYS 24 - HB3 LYS 19 poor 19 97 20 - 2.0-15.9 HG2 LYS 19 - HB3 LYS 24 far 15 99 15 - 3.4-16.0 QB ALA 15 - HB3 LYS 31 far 15 99 15 - 2.6-21.8 QB ALA 28 - HB3 LYS 31 far 15 98 15 - 4.8-8.0 QB ALA 15 - HB3 LYS 19 far 14 96 15 - 4.0-12.6 QB ALA 21 - HB3 LYS 24 far 9 57 15 - 3.8-9.3 QB ALA 21 - HB3 LYS 19 far 5 52 10 - 3.9-7.8 QB ALA 29 - HB3 LYS 24 far 5 100 5 - 2.6-12.1 HG2 LYS 24 - HB3 LYS 26 far 5 100 5 - 2.9-11.3 QB ALA 108 - HB3 LYS 26 far 5 100 5 - 3.5-26.4 HG2 LYS 36 - HB3 LYS 24 far 5 100 5 - 4.9-26.5 QB ALA 15 - HB3 LYS 24 far 5 100 5 - 4.1-15.5 QB ALA 110 - HB3 LYS 26 far 5 99 5 - 3.1-29.9 HG2 LYS 19 - HB3 LYS 31 far 5 99 5 - 4.7-26.5 HG3 LYS 31 - HB3 LYS 24 far 5 98 5 - 4.8-17.7 HG3 LYS 31 - HB3 LYS 19 far 5 93 5 - 3.7-24.3 QB ALA 16 - HB3 LYS 31 far 5 91 5 - 3.6-22.8 QB ALA 12 - HB3 LYS 31 far 4 88 5 - 3.4-20.9 QB ALA 16 - HB3 LYS 19 far 4 86 5 - 4.9-10.4 QB ALA 12 - HB3 LYS 19 far 4 83 5 - 1.9-16.7 QB ALA 29 - HB2 LYS 36 far 4 81 5 - 5.0-13.4 HG3 LYS 26 - HB2 LYS 36 far 4 80 5 - 4.6-27.1 HG3 LYS 31 - HB2 LYS 36 far 4 77 5 - 3.8-16.2 QB ALA 21 - HB2 LYS 36 far 2 40 5 - 3.8-27.6 QB ALA 28 - HB3 LYS 24 lone 1 99 25 5 3.3-12.8 6234/6233=2, 10790=1 QB ALA 28 - HB3 LYS 19 far 0 94 0 - 5.1-20.6 QB ALA 110 - HB3 LYS 19 far 0 95 0 - 5.1-43.2 HG2 LYS 24 - HB3 LYS 31 far 0 100 0 - 5.1-19.1 QB ALA 108 - HB3 LYS 24 far 0 100 0 - 5.2-30.4 QB ALA 28 - HB3 LYS 26 far 0 99 0 - 5.2-7.7 QB ALA 29 - HB3 LYS 26 far 0 100 0 - 5.3-9.5 HG3 LYS 26 - HB3 LYS 24 far 0 100 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 81 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 98 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 96 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 97 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 100 0 - 5.9-8.3 QB ALA 16 - HB3 LYS 24 far 0 92 0 - 6.0-15.3 HG2 LYS 19 - HB3 LYS 26 far 0 99 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 100 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 92 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 97 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 81 0 - 6.5-10.8 QB ALA 16 - HB2 LYS 36 far 0 69 0 - 6.6-28.2 HG2 LYS 95 - HB3 LYS 24 far 0 96 0 - 6.7-33.3 QB ALA 21 - HB3 LYS 31 far 0 56 0 - 6.7-18.6 HG2 LYS 36 - HB3 LYS 26 far 0 100 0 - 6.8-22.9 QB ALA 12 - HB3 LYS 24 far 0 89 0 - 6.9-17.9 QB ALA 16 - HB3 LYS 26 far 0 92 0 - 7.0-20.5 QB ALA 21 - HB3 LYS 26 far 0 57 0 - 7.1-13.8 HG3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 80 0 - 7.4-28.2 HG2 LYS 36 - HB3 LYS 31 far 0 99 0 - 7.5-13.3 QB ALA 28 - HB2 LYS 36 far 0 78 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 96 0 - 8.2-32.7 QB ALA 12 - HB3 LYS 26 far 0 89 0 - 8.2-20.8 QB ALA 108 - HB3 LYS 31 far 0 100 0 - 8.5-26.6 QB ALA 110 - HB3 LYS 24 far 0 99 0 - 9.1-35.2 HB3 LEU 100 - HB3 LYS 26 far 0 100 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 79 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 97 0 - 9.7-39.7 QB ALA 12 - HB2 LYS 36 far 0 66 0 - 9.8-26.6 QB ALA 109 - HB3 LYS 31 far 0 96 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 506 from aliabs.peaks (1.45, 1.81, 32.59 ppm; 3.66 A): 8 out of 29 assignments used, quality = 1.00: * HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 89 89 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 75 75 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 26 OK 31 98 35 89 3.6-16.1 284=6, 823/1.8=5...(111) HG2 LYS 26 + HB3 LYS 31 OK 28 88 35 91 2.5-17.3 629=8, 628/1.8=6...(83) HG13 ILE 32 + HB2 LYS 36 OK 23 62 40 93 4.1-11.8 ~10810=27, ~10899=27...(31) HG3 LYS 24 - HB3 LYS 19 poor 20 97 30 68 2.0-15.5 284=4, 823/1.8=4...(23) HG13 ILE 32 - HB3 LYS 26 poor 13 85 25 61 2.3-13.7 1.8/913=8, 3.2/10720=7...(22) HG13 ILE 32 - HB3 LYS 31 far 13 84 15 - 3.7-7.2 HG3 LYS 19 - HB3 LYS 24 far 10 97 10 - 3.9-16.0 HG2 LYS 26 - HB2 LYS 36 far 7 66 10 - 4.0-27.3 HG3 LYS 24 - HB3 LYS 26 far 5 100 5 - 3.6-11.7 HG3 LYS 24 - HB3 LYS 31 far 5 100 5 - 5.0-17.6 HG2 LYS 31 - HB3 LYS 24 far 5 98 5 - 4.5-18.4 HG3 LYS 36 - HB3 LYS 24 far 5 97 5 - 3.5-27.2 HG3 LYS 19 - HB3 LYS 31 far 5 97 5 - 4.5-27.7 HG3 LYS 36 - HB3 LYS 26 far 5 96 5 - 5.1-23.3 HG2 LYS 31 - HB3 LYS 19 far 5 93 5 - 4.2-25.3 HG2 LYS 31 - HB2 LYS 36 far 4 77 5 - 3.7-16.4 HG13 ILE 32 - HB3 LYS 24 far 0 85 0 - 5.3-17.6 HG2 LYS 26 - HB3 LYS 24 far 0 89 0 - 5.5-11.9 HG3 LYS 24 - HB2 LYS 36 far 0 81 0 - 5.5-27.7 HG3 LYS 19 - HB3 LYS 26 far 0 97 0 - 5.6-24.0 HG3 LYS 36 - HB3 LYS 31 far 0 96 0 - 6.0-13.7 HG2 LYS 26 - HB3 LYS 19 far 0 83 0 - 6.8-23.3 HG3 LYS 36 - HB3 LYS 19 far 0 92 0 - 8.3-32.7 HG13 ILE 32 - HB3 LYS 19 far 0 79 0 - 8.3-24.4 Violated in 0 structures by 0.00 A. Peak 507 from aliabs.peaks (1.66, 1.81, 32.59 ppm; 4.30 A): 16 out of 55 assignments used, quality = 1.00: * HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.5-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 92 92 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 89 89 100 100 2.1-3.7 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.1-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 39 100 40 97 2.9-17.3 2.9/629=8, 2.9/640=5...(150) HD3 LYS 26 + HB3 LYS 31 OK 38 100 40 96 3.4-17.4 2.9/629=8, 6336/6332=6...(116) HD2 LYS 24 + HB3 LYS 19 OK 31 97 35 92 2.0-16.0 3.0/824=3, 3.0/835=3...(124) HD2 LYS 31 + HB3 LYS 26 OK 29 99 30 98 4.2-14.4 10771/10769=16...(201) HD3 LYS 24 + HB3 LYS 19 OK 29 94 35 87 3.5-15.3 3.0/824=3, 3.0/835=3...(91) HD3 LYS 31 + HB3 LYS 26 OK 25 100 25 98 4.5-14.4 10771/10769=13...(203) HD3 LYS 19 - HB3 LYS 24 poor 19 95 20 - 2.0-16.3 HD2 LYS 26 - HB2 LYS 36 poor 16 81 20 - 5.1-27.9 HD2 LYS 19 - HB3 LYS 24 poor 13 97 25 52 3.7-15.7 305/1.8=1, 5.2/596=1...(4) HD3 LYS 26 - HB2 LYS 36 poor 12 81 25 58 4.4-27.1 ~1004=5, ~1003=5...(21) HD3 LYS 36 - HB3 LYS 24 far 10 100 10 - 5.5-25.2 HD2 LYS 36 - HB3 LYS 24 far 5 100 5 - 4.2-24.7 HD2 LYS 24 - HB3 LYS 26 far 5 100 5 - 5.1-12.6 HD2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.4-17.9 HD3 LYS 24 - HB3 LYS 26 far 5 99 5 - 3.7-12.3 HD2 LYS 19 - HB3 LYS 31 far 5 96 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 94 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 5 92 5 - 5.2-34.1 HD2 LYS 24 - HB2 LYS 36 far 4 81 5 - 5.7-27.6 HD2 LYS 31 - HB2 LYS 36 far 4 79 5 - 5.0-15.5 HD3 LYS 31 - HB2 LYS 36 far 0 81 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 97 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 100 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 95 0 - 6.0-24.2 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 97 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 100 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 75 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 97 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 100 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 98 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 78 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 94 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 100 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 100 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 92 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 99 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 64 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 97 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 96 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 87 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 508 from aliabs.peaks (1.65, 1.81, 32.59 ppm; 4.31 A): 16 out of 55 assignments used, quality = 1.00: * HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.2-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 2.0-4.1 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.1-3.7 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 78 78 100 100 2.1-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 77 77 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 39 99 40 97 2.9-17.3 2.9/629=8, 2.9/640=5...(151) HD3 LYS 26 + HB3 LYS 31 OK 37 97 40 96 3.4-17.4 2.9/629=8, 2.9/640=5...(117) HD2 LYS 24 + HB3 LYS 19 OK 30 94 35 92 2.0-16.0 3.0/824=3, 3.0/835=3...(125) HD3 LYS 24 + HB3 LYS 19 OK 30 97 35 88 3.5-15.3 3.0/824=3, 3.0/835=3...(92) HD2 LYS 31 + HB3 LYS 26 OK 29 100 30 98 4.2-14.4 10771/10769=15...(200) HD3 LYS 31 + HB3 LYS 26 OK 25 100 25 98 4.5-14.4 10771/10769=12...(203) HD3 LYS 19 - HB3 LYS 24 poor 20 100 20 - 2.0-16.3 HD3 LYS 26 - HB2 LYS 36 poor 19 77 25 - 4.4-27.1 HD2 LYS 26 - HB2 LYS 36 poor 16 79 20 - 5.1-27.9 HD2 LYS 19 - HB3 LYS 24 poor 13 100 25 53 3.7-15.7 305/1.8=1, 5.2/596=1...(4) HD3 LYS 36 - HB3 LYS 24 far 10 99 10 - 5.5-25.2 HD3 LYS 24 - HB3 LYS 26 far 5 100 5 - 3.7-12.3 HD2 LYS 19 - HB3 LYS 31 far 5 100 5 - 3.6-27.6 HD2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.4-17.9 HD3 LYS 19 - HB3 LYS 31 far 5 99 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 5 99 5 - 5.2-34.1 HD2 LYS 24 - HB3 LYS 26 far 5 99 5 - 5.1-12.6 HD2 LYS 36 - HB3 LYS 24 far 5 98 5 - 4.2-24.7 HD2 LYS 31 - HB2 LYS 36 far 4 81 5 - 5.0-15.5 HD2 LYS 24 - HB2 LYS 36 far 4 78 5 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 0 80 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 96 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 99 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 97 0 - 6.0-24.2 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 99 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 95 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 98 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 81 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 93 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 97 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 81 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 100 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 98 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 100 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 98 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 99 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 98 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 99 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 100 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 76 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 100 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 100 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 68 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 509 from aliabs.peaks (2.95, 1.81, 32.59 ppm; 6.10 A): 20 out of 53 assignments used, quality = 1.00: * HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.1 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.8-5.3 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 3.3-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 2.0-5.4 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.3-4.8 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 79 79 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 79 79 100 100 3.3-4.7 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 54 99 55 99 2.2-19.2 3.6/629=9, 6337/6332=8...(161) HE3 LYS 26 + HB3 LYS 31 OK 53 97 55 98 3.3-19.0 3.6/629=9, 6337/6332=8...(158) HE2 LYS 31 + HB3 LYS 26 OK 47 99 50 94 3.9-12.8 3.7/1019=7, 3.7/835=6...(130) HE3 LYS 24 + HB3 LYS 19 OK 41 95 45 95 3.9-16.9 11770/3.0=4, 4.0/526=4...(150) HE2 LYS 26 + HB2 LYS 36 OK 38 79 55 87 2.4-29.4 1004/1.8=14, ~1004=11...(50) HE3 LYS 31 + HB3 LYS 26 OK 38 100 40 94 4.4-13.0 3.7/1019=7, 3.7/835=6...(130) HE2 LYS 24 + HB3 LYS 19 OK 33 97 35 96 2.6-16.3 ~1228=5, ~1217=5...(150) HE3 LYS 26 + HB2 LYS 36 OK 29 77 45 83 2.6-28.9 1004/1.8=14, ~1004=12...(30) HE3 LYS 19 + HB3 LYS 24 OK 26 100 35 73 4.6-17.1 532/2.9=2, 6.4/596=2...(74) HE2 LYS 19 + HB3 LYS 24 OK 24 100 30 79 3.5-17.2 532/2.9=2, 613/1.8=2...(83) HE2 LYS 36 - HB3 LYS 26 poor 20 99 20 - 4.2-22.7 HE3 LYS 31 - HB2 LYS 36 poor 16 81 20 - 5.6-14.2 HE2 LYS 24 - HB3 LYS 31 far 15 100 15 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 14 99 45 30 4.9-14.1 6337/6332=3...(3) HE2 LYS 24 - HB3 LYS 26 far 10 100 10 - 5.2-13.2 HE3 LYS 24 - HB3 LYS 26 far 10 99 10 - 6.0-13.6 HE2 LYS 36 - HB3 LYS 24 far 10 99 10 - 3.5-25.9 HE3 LYS 31 - HB3 LYS 19 far 10 97 10 - 7.4-27.0 HE2 LYS 36 - HB3 LYS 31 poor 8 99 25 34 5.3-14.3 10813/10751=3, 6337/6332=2 HE3 LYS 36 - HB3 LYS 26 poor 6 99 25 23 5.3-23.0 10721/10720=3, 10813/10751=2 HE2 LYS 26 - HB3 LYS 24 lone 5 99 35 14 5.5-13.1 HE2 LYS 19 - HB3 LYS 31 far 5 100 5 - 5.8-26.9 HE3 LYS 31 - HB3 LYS 24 far 5 100 5 - 7.6-18.3 HE3 LYS 19 - HB3 LYS 31 far 5 100 5 - 6.2-27.1 HE3 LYS 36 - HB3 LYS 24 far 5 99 5 - 5.2-26.7 HE3 LYS 24 - HB3 LYS 31 far 5 99 5 - 6.7-20.0 HE2 LYS 26 - HB3 LYS 19 far 5 95 5 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 5 95 5 - 6.5-26.1 HE3 LYS 26 - HB3 LYS 24 lone 4 98 25 18 4.8-12.9 9587/985=1 HB2 CYS 45 - HB3 LYS 26 far 4 87 5 - 7.5-24.2 HB2 CYS 45 - HB2 LYS 36 lone 4 64 50 13 1.8-11.9 10889/10749=4...(6) HE2 LYS 24 - HB2 LYS 36 far 4 81 5 - 6.1-29.9 HE3 LYS 24 - HB2 LYS 36 far 4 79 5 - 7.5-29.6 HE2 LYS 31 - HB2 LYS 36 lone 2 79 30 10 6.2-12.8 10721/10898=4, 10804/929=3 HE3 LYS 26 - HB3 LYS 19 far 0 93 0 - 7.6-23.7 HE2 LYS 31 - HB3 LYS 24 far 0 99 0 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 0 100 0 - 8.0-25.2 HB3 ASN 116 - HB3 LYS 24 far 0 83 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 100 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 73 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 86 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 95 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 81 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 510 from aliabs.peaks (2.94, 1.81, 32.59 ppm; 6.80 A): 20 out of 52 assignments used, quality = 1.00: * HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.1 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 96 96 100 100 3.3-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 95 95 100 100 2.0-5.2 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.3-4.8 5.1=100 HE3 LYS 26 + HB3 LYS 26 OK 92 92 100 100 2.0-5.4 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 72 72 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 72 72 100 100 3.3-4.7 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 57 95 60 99 2.2-19.2 6337/6332=10, 3.6/629=10...(165) HE2 LYS 31 + HB3 LYS 26 OK 55 96 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 26 + HB3 LYS 31 OK 54 91 60 99 3.3-19.0 3.6/629=10, 6337/6332=9...(160) HE3 LYS 31 + HB3 LYS 26 OK 48 99 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 24 + HB3 LYS 19 OK 47 97 50 97 3.9-16.9 1228/1.8=6, 11770/3.0=5...(161) HE2 LYS 26 + HB2 LYS 36 OK 37 73 55 91 2.4-29.4 1004/1.8=17, ~1004=13...(59) HE2 LYS 24 + HB3 LYS 19 OK 33 95 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE3 LYS 26 + HB2 LYS 36 OK 30 69 50 87 2.6-28.9 ~1004=14, ~1003=14...(36) HE2 LYS 19 + HB3 LYS 24 OK 29 98 35 83 3.5-17.2 532/2.9=2, ~532=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 27 98 35 79 4.6-17.1 532/2.9=3, 6.4/596=2...(92) HE3 LYS 31 - HB2 LYS 36 poor 20 79 25 - 5.6-14.2 HE2 LYS 24 - HB3 LYS 31 poor 20 99 20 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 18 94 55 35 4.9-14.1 6337/6332=4...(3) HE3 LYS 24 - HB3 LYS 26 far 15 100 15 - 6.0-13.6 HE3 LYS 24 - HB3 LYS 31 far 15 100 15 - 6.7-20.0 HE2 LYS 24 - HB3 LYS 26 far 15 99 15 - 5.2-13.2 HE3 LYS 19 - HB3 LYS 31 far 15 97 15 - 6.2-27.1 HE2 LYS 36 - HB3 LYS 31 poor 13 94 35 39 5.3-14.3 10813/10751=3...(13) HE3 LYS 31 - HB3 LYS 19 far 10 95 10 - 7.4-27.0 HE2 LYS 36 - HB3 LYS 24 far 9 95 10 - 3.5-25.9 HE2 LYS 26 - HB3 LYS 19 far 9 90 10 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 9 90 10 - 6.5-26.1 HE3 LYS 26 - HB3 LYS 19 far 9 86 10 - 7.6-23.7 HE2 LYS 26 - HB3 LYS 24 lone 8 96 45 17 5.5-13.1 ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 7 92 35 21 4.8-12.9 9587/985=1, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 6 94 25 27 5.3-23.0 10721/10720=3, 10813/10751=2 HB2 CYS 45 - HB2 LYS 36 lone 6 73 55 16 1.8-11.9 10889/10749=5...(6) HE2 LYS 36 - HB3 LYS 26 poor 6 94 25 26 4.2-22.7 10721/10720=3, 10813/10751=2 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.6-18.3 HE3 LYS 19 - HB3 LYS 26 far 5 98 5 - 8.0-25.2 HE2 LYS 19 - HB3 LYS 31 far 5 97 5 - 5.8-26.9 HE2 LYS 31 - HB3 LYS 24 far 5 96 5 - 7.8-18.3 HB2 CYS 45 - HB3 LYS 26 far 5 96 5 - 7.5-24.2 HE3 LYS 36 - HB3 LYS 24 far 5 95 5 - 5.2-26.7 HE3 LYS 24 - HB2 LYS 36 far 4 81 5 - 7.5-29.6 HE2 LYS 24 - HB2 LYS 36 far 4 79 5 - 6.1-29.9 HE2 LYS 31 - HB2 LYS 36 lone 3 73 40 11 6.2-12.8 10721/10898=3, 9008/929=3 HB3 ASN 116 - HB3 LYS 24 far 0 93 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 98 0 - 8.7-23.7 HB2 CYS 45 - HB3 LYS 31 far 0 95 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 89 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 90 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 513 from aliabs.peaks (4.33, 1.38, 24.61 ppm; 3.27 A): 1 out of 15 assignments used, quality = 1.00: * HA LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-4.2 483=100, 484/1.8=67...(33) HA LYS 24 - HG3 LYS 26 far 10 98 10 - 3.3-9.6 HA LYS 24 - HG3 LYS 31 far 9 93 10 - 3.7-16.5 HA ASP 47 - HG3 LYS 26 far 5 95 5 - 3.8-25.9 HA LEU 69 - HG2 LYS 36 far 3 56 5 - 4.4-11.2 HA LYS 24 - HG2 LYS 36 far 0 74 0 - 4.9-24.6 HA LYS 24 - HG2 LYS 19 far 0 97 0 - 5.7-16.5 HA TYR 76 - HG2 LYS 36 far 0 50 0 - 6.7-16.3 HA ASP 47 - HG2 LYS 19 far 0 94 0 - 7.1-40.0 HA LEU 69 - HG3 LYS 31 far 0 75 0 - 7.3-17.0 HA2 GLY 75 - HG2 LYS 36 far 0 73 0 - 7.4-15.8 HA2 GLY 75 - HG3 LYS 31 far 0 93 0 - 7.7-23.5 HA ASN 59 - HG3 LYS 26 far 0 97 0 - 7.9-22.8 HA ASN 59 - HG2 LYS 19 far 0 96 0 - 9.0-39.5 HA2 GLY 75 - HG3 LYS 26 far 0 97 0 - 9.8-25.6 Violated in 11 structures by 0.22 A. Peak 514 from aliabs.peaks (1.74, 1.38, 24.61 ppm; 3.67 A): 6 out of 27 assignments used, quality = 1.00: * HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HB2 LYS 19 + HG2 LYS 19 OK 97 97 100 100 2.3-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.4-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 26 OK 36 98 40 92 2.0-14.6 609=8, 628/1.8=7...(97) HB2 LYS 26 + HG3 LYS 31 OK 22 93 25 92 3.1-14.0 823/1.8=6, 1.8/620=4...(106) HB2 LYS 19 - HG2 LYS 24 poor 20 100 20 - 3.7-16.8 HB2 ARG 23 - HG3 LYS 26 poor 19 95 20 - 3.9-12.1 HB2 LYS 19 - HG3 LYS 31 far 9 93 10 - 2.7-23.1 HB2 LYS 24 - HG3 LYS 31 far 9 93 10 - 3.7-17.1 HB2 ARG 23 - HG3 LYS 31 far 9 90 10 - 4.2-17.9 HB2 LYS 24 - HG2 LYS 19 poor 9 97 25 37 3.4-16.9 3.5/276=1, 804=1...(12) HB2 LYS 26 - HG2 LYS 24 far 5 100 5 - 2.2-11.2 HB2 ARG 23 - HG2 LYS 24 far 5 99 5 - 4.4-8.4 HB2 LYS 31 - HG2 LYS 19 far 5 97 5 - 5.2-27.3 HB2 LYS 24 - HG2 LYS 36 far 4 74 5 - 4.2-27.3 HB2 LYS 24 - HG3 LYS 26 far 0 98 0 - 5.4-11.1 HB2 LYS 26 - HG2 LYS 36 far 0 74 0 - 5.5-22.8 HB2 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.6-19.7 HB2 LYS 19 - HG3 LYS 26 far 0 98 0 - 6.0-22.5 HB2 LYS 26 - HG2 LYS 19 far 0 97 0 - 6.4-24.5 HB2 LYS 31 - HG2 LYS 36 far 0 74 0 - 6.5-12.1 HB2 ARG 23 - HG2 LYS 36 far 0 70 0 - 6.8-24.5 HB2 LYS 19 - HG2 LYS 36 far 0 74 0 - 7.3-32.2 HB2 ARG 23 - HG2 LYS 19 far 0 94 0 - 7.6-15.2 HB2 LYS 39 - HG2 LYS 24 far 0 87 0 - 8.0-31.6 HB2 LYS 39 - HG2 LYS 36 far 0 58 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 515 from aliabs.peaks (1.81, 1.38, 24.61 ppm; 3.41 A): 8 out of 38 assignments used, quality = 1.00: * HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.3-3.0 3.0=100 HB3 LYS 19 + HG2 LYS 19 OK 95 95 100 100 2.5-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 73 73 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 26 OK 31 98 40 79 2.2-16.3 1.8/639=6, 988=6...(64) HB3 LYS 26 + HG3 LYS 31 OK 24 93 30 85 3.3-14.9 620=5, 989/1.8=4, ~823=3...(96) HB ILE 32 + HG2 LYS 36 OK 21 73 30 96 3.5-7.7 ~10901=24, ~10810=22...(42) HB3 LYS 19 - HG2 LYS 24 poor 20 99 20 - 2.0-15.9 HB3 ARG 23 - HG3 LYS 26 far 15 97 15 - 2.7-12.0 HB ILE 32 - HG3 LYS 26 far 10 97 10 - 3.9-17.4 HB3 LYS 24 - HG2 LYS 19 far 10 97 10 - 3.4-16.0 HB ILE 32 - HG3 LYS 31 far 9 93 10 - 4.7-8.2 HB3 ARG 23 - HG3 LYS 31 far 9 93 10 - 4.3-17.8 HB3 LYS 26 - HG2 LYS 24 far 5 100 5 - 2.9-11.3 HB2 LYS 36 - HG3 LYS 26 far 5 97 5 - 4.6-27.1 HB3 LYS 31 - HG2 LYS 19 far 5 97 5 - 4.7-26.5 HB3 LYS 24 - HG3 LYS 31 far 5 93 5 - 4.8-17.7 HB2 LYS 36 - HG3 LYS 31 far 5 93 5 - 3.8-16.2 HB3 LYS 19 - HG3 LYS 31 far 5 91 5 - 3.7-24.3 HB3 LYS 24 - HG2 LYS 36 far 4 74 5 - 4.9-26.5 HB3 LYS 31 - HG2 LYS 24 far 0 100 0 - 5.1-19.1 HB3 ARG 23 - HG2 LYS 24 far 0 100 0 - 5.3-7.8 HB3 LYS 24 - HG3 LYS 26 far 0 98 0 - 5.4-11.5 HB2 LYS 36 - HG2 LYS 24 far 0 100 0 - 5.6-29.5 HB3 LYS 26 - HG2 LYS 19 far 0 97 0 - 6.0-24.6 HB3 ARG 23 - HG2 LYS 36 far 0 73 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 74 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 96 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 100 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 74 0 - 7.5-13.3 HB3 LYS 19 - HG2 LYS 36 far 0 71 0 - 8.2-32.7 HB3 ARG 23 - HG2 LYS 19 far 0 96 0 - 8.4-16.3 HB2 CYS 79 - HG2 LYS 36 far 0 61 0 - 8.7-18.1 HB2 CYS 79 - HG2 LYS 19 far 0 84 0 - 8.9-38.4 HB3 LEU 122 - HG2 LYS 24 far 0 73 0 - 9.0-29.6 HB2 LYS 36 - HG2 LYS 19 far 0 96 0 - 9.5-36.6 HB3 LEU 103 - HG3 LYS 26 far 0 76 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 516 from aliabs.peaks (1.38, 1.38, 24.61 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 24 + HG2 LYS 24 OK 100 100 - 100 HG3 LYS 26 + HG3 LYS 26 OK 97 97 - 100 HG2 LYS 19 + HG2 LYS 19 OK 95 95 - 100 HG3 LYS 31 + HG3 LYS 31 OK 90 90 - 100 HG2 LYS 36 + HG2 LYS 36 OK 73 73 - 100 Peak 517 from aliabs.peaks (1.45, 1.38, 24.61 ppm; 2.50 A): 5 out of 30 assignments used, quality = 1.00: * HG3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 90 90 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 84 84 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 67 67 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 8 80 10 - 2.6-15.5 HG3 LYS 24 - HG2 LYS 19 far 5 97 5 - 2.1-17.9 HG2 LYS 31 - HG3 LYS 26 far 5 94 5 - 3.8-16.9 HG13 ILE 32 - HG3 LYS 31 far 4 75 5 - 3.5-8.4 HG3 LYS 36 - HG3 LYS 31 far 0 87 0 - 4.1-14.2 HG3 LYS 19 - HG2 LYS 24 far 0 97 0 - 4.1-17.9 HG3 LYS 24 - HG3 LYS 26 far 0 98 0 - 4.4-11.5 HG3 LYS 19 - HG3 LYS 31 far 0 89 0 - 4.5-25.5 HG2 LYS 26 - HG3 LYS 31 far 0 78 0 - 4.7-16.4 HG2 LYS 26 - HG2 LYS 24 far 0 89 0 - 4.7-11.2 HG3 LYS 36 - HG2 LYS 24 far 0 97 0 - 5.4-28.0 HG13 ILE 32 - HG2 LYS 36 far 0 56 0 - 5.5-9.7 HG2 LYS 31 - HG2 LYS 24 far 0 98 0 - 5.6-17.7 HG2 LYS 31 - HG2 LYS 19 far 0 93 0 - 5.6-25.5 HG3 LYS 24 - HG3 LYS 31 far 0 93 0 - 5.7-17.0 HG3 LYS 24 - HG2 LYS 36 far 0 74 0 - 6.1-25.7 HG3 LYS 36 - HG3 LYS 26 far 0 93 0 - 6.2-25.2 HG2 LYS 31 - HG2 LYS 36 far 0 69 0 - 6.3-14.0 HG2 LYS 26 - HG2 LYS 36 far 0 59 0 - 6.3-25.0 HG13 ILE 32 - HG2 LYS 24 far 0 85 0 - 7.5-18.3 HG3 LYS 19 - HG3 LYS 26 far 0 94 0 - 7.8-23.7 HG3 LYS 36 - HG2 LYS 19 far 0 91 0 - 8.0-34.6 HG3 LYS 19 - HG2 LYS 36 far 0 69 0 - 8.2-34.3 HG2 LYS 26 - HG2 LYS 19 far 0 83 0 - 8.7-25.7 HG13 ILE 32 - HG2 LYS 19 far 0 79 0 - 8.9-25.0 Violated in 0 structures by 0.00 A. Peak 518 from aliabs.peaks (1.66, 1.38, 24.61 ppm; 3.40 A): 10 out of 58 assignments used, quality = 1.00: * HD2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.2-2.9 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 91 91 100 100 2.5-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 74 74 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 74 74 100 100 2.3-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 26 far 15 97 15 - 3.4-15.4 HD2 LYS 24 - HG2 LYS 19 far 15 97 15 - 3.0-17.8 HD2 LYS 19 - HG2 LYS 24 far 14 97 15 - 3.2-16.1 HD3 LYS 19 - HG2 LYS 24 far 14 95 15 - 2.1-17.8 HD3 LYS 24 - HG2 LYS 19 far 14 94 15 - 2.7-16.9 HD2 LYS 26 - HG3 LYS 31 far 9 93 10 - 4.8-17.0 HD2 LYS 36 - HG3 LYS 26 far 5 98 5 - 4.8-22.9 HD2 LYS 31 - HG3 LYS 26 far 5 96 5 - 3.6-15.7 HD3 LYS 24 - HG3 LYS 26 far 5 95 5 - 3.7-11.0 HD3 LYS 26 - HG3 LYS 31 far 5 93 5 - 3.0-16.8 HD3 LYS 36 - HG3 LYS 31 far 5 93 5 - 4.6-13.4 HD2 LYS 36 - HG3 LYS 31 far 5 93 5 - 4.8-13.4 HB2 LEU 98 - HG2 LYS 24 far 5 92 5 - 4.9-36.4 HD2 LYS 19 - HG3 LYS 31 far 4 87 5 - 4.6-25.3 HD3 LYS 19 - HG3 LYS 31 far 4 85 5 - 4.1-26.6 HD3 LYS 26 - HG2 LYS 36 far 0 74 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 100 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 98 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 100 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 74 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 90 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 98 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 93 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 72 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 100 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 73 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 87 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 74 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 95 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 99 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 67 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 87 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 96 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 97 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 87 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 70 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 100 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 97 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 99 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 58 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 90 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 93 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 67 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 86 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 97 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 84 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 519 from aliabs.peaks (1.65, 1.38, 24.61 ppm; 3.41 A): 10 out of 58 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 96 96 100 100 2.5-3.0 3.0=100 HD2 LYS 26 + HG3 LYS 26 OK 96 96 100 100 2.2-2.9 2.9=100 HD3 LYS 19 + HG2 LYS 19 OK 96 96 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 26 OK 94 94 100 100 2.2-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 92 92 100 100 2.3-3.0 2.9=100 HD3 LYS 36 + HG2 LYS 36 OK 70 70 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 69 69 100 100 2.3-3.0 3.0=100 HD2 LYS 19 - HG2 LYS 24 far 15 100 15 - 3.2-16.1 HD3 LYS 19 - HG2 LYS 24 far 15 100 15 - 2.1-17.8 HD3 LYS 24 - HG2 LYS 19 far 15 97 15 - 2.7-16.9 HD3 LYS 31 - HG3 LYS 26 far 15 97 15 - 3.4-15.4 HD2 LYS 24 - HG2 LYS 19 far 14 94 15 - 3.0-17.8 HD2 LYS 26 - HG3 LYS 31 far 9 92 10 - 4.8-17.0 HB2 LEU 98 - HG2 LYS 24 far 5 99 5 - 4.9-36.4 HD3 LYS 24 - HG3 LYS 26 far 5 98 5 - 3.7-11.0 HD2 LYS 31 - HG3 LYS 26 far 5 98 5 - 3.6-15.7 HD2 LYS 36 - HG3 LYS 26 far 5 94 5 - 4.8-22.9 HD2 LYS 19 - HG3 LYS 31 far 5 93 5 - 4.6-25.3 HD3 LYS 19 - HG3 LYS 31 far 5 92 5 - 4.1-26.6 HD3 LYS 36 - HG3 LYS 31 far 5 90 5 - 4.6-13.4 HD3 LYS 26 - HG3 LYS 31 far 4 90 5 - 3.0-16.8 HD2 LYS 36 - HG3 LYS 31 far 4 90 5 - 4.8-13.4 HD3 LYS 26 - HG2 LYS 36 far 0 69 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 98 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 98 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 95 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 99 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 72 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 93 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 95 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 90 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 74 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 99 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 72 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 96 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 70 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 97 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 100 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 73 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 68 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 96 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 93 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 93 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 74 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 99 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 95 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 100 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 69 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 73 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 95 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 94 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 94 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 520 from aliabs.peaks (2.95, 1.38, 24.61 ppm; 4.12 A): 10 out of 53 assignments used, quality = 1.00: * HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.1-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 96 96 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 96 96 100 100 2.3-3.2 3.8=100 HE2 LYS 26 + HG3 LYS 26 OK 96 96 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 94 94 100 100 2.1-4.1 3.6=100 HE3 LYS 31 + HG3 LYS 31 OK 93 93 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 92 92 100 100 2.4-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 71 71 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 71 71 100 100 2.6-4.2 4.0=100 HE2 LYS 24 - HG2 LYS 19 poor 19 97 20 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 19 95 20 - 3.9-19.3 HE2 LYS 36 - HG3 LYS 31 far 14 91 15 - 4.3-14.3 HE3 LYS 36 - HG3 LYS 31 far 14 91 15 - 4.5-14.3 HE3 LYS 26 - HG3 LYS 31 far 13 90 15 - 4.8-18.3 HB2 CYS 45 - HG2 LYS 36 poor 12 58 20 - 4.8-12.0 HE3 LYS 19 - HG2 LYS 24 far 10 100 10 - 3.6-18.0 HE2 LYS 19 - HG2 LYS 24 far 10 100 10 - 4.3-16.8 HE2 LYS 31 - HG3 LYS 26 far 10 96 10 - 5.0-15.0 HE3 LYS 36 - HG3 LYS 26 far 10 96 10 - 4.4-24.9 HE2 LYS 36 - HG3 LYS 26 far 10 96 10 - 4.6-24.5 HE2 LYS 26 - HG3 LYS 31 far 9 92 10 - 4.3-18.5 HE2 LYS 26 - HG2 LYS 36 far 7 72 10 - 5.0-27.0 HE3 LYS 26 - HG2 LYS 36 far 7 69 10 - 5.1-26.6 HE2 LYS 36 - HG2 LYS 24 far 5 99 5 - 4.2-26.3 HE3 LYS 26 - HG2 LYS 24 far 5 98 5 - 5.4-12.1 HE2 LYS 24 - HG3 LYS 26 far 5 98 5 - 5.0-12.3 HE3 LYS 24 - HG3 LYS 26 far 5 96 5 - 5.5-12.7 HE2 LYS 24 - HG3 LYS 31 far 5 93 5 - 4.1-18.0 HE3 LYS 24 - HG3 LYS 31 far 5 92 5 - 5.2-18.7 HE3 LYS 31 - HG2 LYS 36 far 4 74 5 - 5.1-14.9 HE2 LYS 31 - HG2 LYS 36 far 4 72 5 - 5.3-13.7 HE3 LYS 36 - HG2 LYS 24 far 0 99 0 - 5.7-27.3 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 5.8-14.5 HE2 LYS 26 - HG2 LYS 24 far 0 99 0 - 5.9-12.0 HB3 ASN 116 - HG2 LYS 24 far 0 83 0 - 5.9-34.7 HE2 LYS 24 - HG2 LYS 36 far 0 74 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 93 0 - 6.4-26.3 HE3 LYS 31 - HG2 LYS 19 far 0 97 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 93 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 100 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 95 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 73 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 99 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 82 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 72 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 77 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 87 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 95 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 95 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 73 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 73 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 73 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 521 from aliabs.peaks (2.94, 1.38, 24.61 ppm; 5.47 A): 15 out of 52 assignments used, quality = 1.00: * HE3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.1-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 99 99 100 100 2.0-3.9 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 93 93 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 93 93 100 100 2.3-3.2 3.8=100 HE3 LYS 31 + HG3 LYS 31 OK 92 92 100 100 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 91 91 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 87 87 100 100 2.1-4.1 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 86 86 100 100 2.4-4.2 3.7=100 HE3 LYS 36 + HG2 LYS 36 OK 65 65 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 65 65 100 100 2.6-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 19 OK 31 95 35 91 2.9-18.6 2634/3.0=4, ~1228=3...(155) HE3 LYS 24 + HG2 LYS 19 OK 26 97 30 89 3.9-19.3 2634/3.0=4, 11770/4.2=3...(122) HE3 LYS 31 + HG3 LYS 26 OK 22 96 25 90 5.8-14.5 4.8/639=7, 4.8/640=5...(128) HE2 LYS 26 + HG3 LYS 31 OK 21 86 25 97 4.3-18.5 4.8/834=5, 6337/5.0=5...(178) HE2 LYS 31 + HG3 LYS 26 OK 20 91 25 89 5.0-15.0 4.8/639=7, 4.8/640=5...(127) HE3 LYS 26 - HG3 LYS 31 poor 20 82 25 97 4.8-18.3 4.8/834=5, 6337/5.0=5...(178) HB2 CYS 45 - HG2 LYS 36 poor 20 66 30 - 4.8-12.0 HE2 LYS 19 - HG2 LYS 24 poor 20 98 20 - 4.3-16.8 HE3 LYS 26 - HG2 LYS 36 poor 19 62 30 - 5.1-26.6 HE3 LYS 19 - HG2 LYS 24 poor 18 98 25 73 3.6-18.0 6.4/793=3, 5.1/835=2...(25) HE2 LYS 36 - HG3 LYS 31 poor 17 85 20 - 4.3-14.3 HE3 LYS 36 - HG3 LYS 31 poor 17 85 20 - 4.5-14.3 HE3 LYS 26 - HG2 LYS 24 far 14 92 15 - 5.4-12.1 HE2 LYS 26 - HG2 LYS 36 poor 13 66 20 - 5.0-27.0 HE3 LYS 24 - HG3 LYS 26 far 10 98 10 - 5.5-12.7 HE2 LYS 24 - HG3 LYS 26 far 10 96 10 - 5.0-12.3 HE2 LYS 26 - HG2 LYS 24 far 10 96 10 - 5.9-12.0 HE2 LYS 24 - HG3 LYS 31 far 9 92 10 - 4.1-18.0 HE3 LYS 19 - HG3 LYS 31 far 9 90 10 - 6.4-26.3 HE2 LYS 31 - HG2 LYS 36 far 7 66 10 - 5.3-13.7 HE3 LYS 31 - HG2 LYS 24 far 5 99 5 - 6.8-19.4 HE3 LYS 31 - HG2 LYS 19 far 5 95 5 - 6.5-27.2 HE2 LYS 36 - HG2 LYS 24 far 5 95 5 - 4.2-26.3 HE2 LYS 36 - HG3 LYS 26 poor 5 90 25 21 4.6-24.5 10813/10704=3 HE3 LYS 36 - HG2 LYS 24 far 5 95 5 - 5.7-27.3 HE3 LYS 24 - HG3 LYS 31 far 5 93 5 - 5.2-18.7 HB3 ASN 116 - HG2 LYS 24 far 5 93 5 - 5.9-34.7 HE2 LYS 19 - HG3 LYS 31 far 4 90 5 - 6.7-25.4 HE3 LYS 36 - HG3 LYS 26 lone 4 90 25 17 4.4-24.9 10813/10704=3 HE3 LYS 31 - HG2 LYS 36 far 4 72 5 - 5.1-14.9 HE2 LYS 24 - HG2 LYS 36 far 4 72 5 - 6.3-27.7 HE2 LYS 31 - HG2 LYS 19 far 0 90 0 - 7.3-26.4 HE2 LYS 31 - HG2 LYS 24 far 0 96 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 91 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 74 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 86 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 96 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 89 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 90 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 69 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 87 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 69 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 524 from aliabs.peaks (4.33, 1.45, 24.61 ppm; 3.50 A): 1 out of 15 assignments used, quality = 1.00: * HA LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-4.2 484=100, 483/1.8=84...(34) HA LYS 24 - HG2 LYS 31 far 9 93 10 - 3.7-16.9 HA LEU 69 - HG3 LYS 36 far 5 46 10 - 4.5-11.0 HA LYS 24 - HG2 LYS 26 far 3 68 5 - 4.0-10.3 HA ASP 47 - HG2 LYS 26 far 3 65 5 - 3.4-26.3 HA LYS 24 - HG3 LYS 36 far 3 62 5 - 4.2-25.1 HA ASP 47 - HG3 LYS 19 far 0 87 0 - 5.4-40.0 HA LYS 24 - HG3 LYS 19 far 0 90 0 - 5.6-16.0 HA TYR 76 - HG3 LYS 36 far 0 41 0 - 7.3-18.1 HA LEU 69 - HG2 LYS 31 far 0 75 0 - 7.4-17.6 HA ASN 59 - HG2 LYS 26 far 0 66 0 - 7.5-23.3 HA2 GLY 75 - HG3 LYS 36 far 0 61 0 - 7.5-17.5 HA2 GLY 75 - HG2 LYS 31 far 0 93 0 - 8.8-24.0 HA TYR 76 - HG3 LYS 19 far 0 65 0 - 9.4-37.1 HA LEU 69 - HG2 LYS 26 far 0 51 0 - 9.5-20.9 Violated in 15 structures by 0.30 A. Peak 525 from aliabs.peaks (1.74, 1.45, 24.61 ppm; 3.95 A): 7 out of 28 assignments used, quality = 1.00: * HB2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HB2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.2-3.0 3.0=100 HB2 LYS 19 + HG3 LYS 24 OK 24 100 30 79 3.6-16.4 6149/281=4, 3.0/822=4...(31) HB2 LYS 31 + HG2 LYS 26 OK 23 68 35 96 1.9-15.6 639/1.8=8, 495=6...(129) HB2 LYS 26 + HG2 LYS 31 OK 22 93 25 95 3.5-15.2 1.8/989=5, 799/5.0=5...(124) HB2 LYS 24 - HG2 LYS 31 far 9 93 10 - 4.1-17.7 HB2 LYS 19 - HG2 LYS 31 far 9 93 10 - 3.6-24.3 HB2 LYS 24 - HG3 LYS 19 far 9 90 10 - 2.7-16.0 HB2 ARG 23 - HG2 LYS 26 poor 9 65 35 40 2.9-13.2 433/6252=3, 834/1.8=2...(13) HB2 LYS 24 - HG2 LYS 26 far 7 68 10 - 5.2-11.5 HB2 LYS 26 - HG3 LYS 24 far 5 100 5 - 2.9-11.4 HB2 ARG 23 - HG2 LYS 31 far 5 90 5 - 3.9-18.6 HB2 LYS 31 - HG3 LYS 19 far 5 90 5 - 4.6-28.5 HB2 LYS 24 - HG3 LYS 36 far 3 62 5 - 2.7-27.9 HB2 LYS 26 - HG3 LYS 36 far 3 62 5 - 3.8-23.1 HB2 LYS 31 - HG3 LYS 36 far 3 62 5 - 4.9-12.3 HB2 ARG 23 - HG3 LYS 36 far 3 59 5 - 5.4-24.8 HB2 ARG 23 - HG3 LYS 24 far 0 99 0 - 5.7-8.6 HB2 LYS 26 - HG3 LYS 19 far 0 90 0 - 6.0-24.0 HB2 LYS 19 - HG2 LYS 26 far 0 68 0 - 6.0-23.9 HB2 LYS 31 - HG3 LYS 24 far 0 100 0 - 6.7-18.1 HB2 ARG 23 - HG3 LYS 19 far 0 87 0 - 7.5-15.3 HB2 LYS 19 - HG3 LYS 36 far 0 62 0 - 7.5-32.1 HG LEU 100 - HG2 LYS 26 far 0 34 0 - 9.3-23.0 HB2 LYS 39 - HG3 LYS 24 far 0 87 0 - 9.7-30.3 HB2 LYS 39 - HG3 LYS 19 far 0 73 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 526 from aliabs.peaks (1.81, 1.45, 24.61 ppm; 3.58 A): 8 out of 39 assignments used, quality = 1.00: * HB3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 88 88 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HG3 LYS 36 OK 61 61 100 100 2.2-3.0 3.0=100 HB ILE 32 + HG3 LYS 36 OK 30 61 50 97 1.9-8.0 ~10810=25, ~10899=25...(42) HB3 LYS 26 + HG2 LYS 31 OK 25 93 30 88 3.6-16.1 619=6, 1.8/823=5...(108) HB3 LYS 31 + HG2 LYS 26 OK 21 68 35 89 2.5-17.3 619=5, 815/1.8=5, ~639=4...(77) HB3 LYS 19 - HG3 LYS 24 poor 19 99 30 64 2.0-15.5 1.8/525=3, 506=3...(24) HB ILE 32 - HG2 LYS 26 far 10 67 15 - 3.7-17.7 HB3 ARG 23 - HG2 LYS 31 far 9 93 10 - 4.4-18.6 HB3 LYS 24 - HG3 LYS 19 far 9 90 10 - 3.9-16.0 HB2 LYS 36 - HG2 LYS 26 far 7 67 10 - 4.0-27.3 HB3 ARG 23 - HG2 LYS 26 poor 6 67 30 29 2.0-12.6 442/6252=4, 1.8/525=1...(4) HB3 LYS 26 - HG3 LYS 24 far 5 100 5 - 3.6-11.7 HB3 LYS 31 - HG3 LYS 24 far 5 100 5 - 5.0-17.6 HB3 LYS 24 - HG2 LYS 31 far 5 93 5 - 4.5-18.4 HB2 LYS 36 - HG2 LYS 31 far 5 93 5 - 3.7-16.4 HB3 LYS 19 - HG2 LYS 31 far 5 91 5 - 4.2-25.3 HB3 LYS 31 - HG3 LYS 19 far 5 90 5 - 4.5-27.7 HB3 LYS 24 - HG3 LYS 36 far 3 62 5 - 3.5-27.2 HB3 LYS 26 - HG3 LYS 36 far 3 62 5 - 5.1-23.3 HB3 LYS 24 - HG2 LYS 26 far 0 68 0 - 5.5-11.9 HB2 LYS 36 - HG3 LYS 24 far 0 100 0 - 5.5-27.7 HB3 LYS 26 - HG3 LYS 19 far 0 90 0 - 5.6-24.0 HB3 ARG 23 - HG3 LYS 36 far 0 61 0 - 5.8-24.6 HB3 LYS 31 - HG3 LYS 36 far 0 62 0 - 6.0-13.7 HB3 ARG 23 - HG3 LYS 24 far 0 100 0 - 6.1-8.0 HB ILE 32 - HG2 LYS 31 far 0 93 0 - 6.4-8.5 HB3 LYS 19 - HG2 LYS 26 far 0 65 0 - 6.8-23.3 HB ILE 32 - HG3 LYS 24 far 0 100 0 - 6.8-18.6 HB2 CYS 79 - HG3 LYS 19 far 0 77 0 - 7.5-38.9 HB3 LEU 122 - HG3 LYS 24 far 0 73 0 - 7.8-29.5 HB3 ARG 23 - HG3 LYS 19 far 0 89 0 - 8.1-15.4 HB3 LYS 19 - HG3 LYS 36 far 0 59 0 - 8.3-32.7 HB3 LEU 103 - HG2 LYS 26 far 0 48 0 - 8.4-24.6 HB2 LEU 100 - HG2 LYS 26 far 0 65 0 - 9.8-23.7 HB ILE 32 - HG3 LYS 19 far 0 90 0 - 9.9-27.6 HB2 CYS 79 - HG3 LYS 36 far 0 50 0 - 9.9-19.8 Violated in 0 structures by 0.00 A. Peak 527 from aliabs.peaks (1.38, 1.45, 24.61 ppm; 2.50 A): 5 out of 68 assignments used, quality = 1.00: * HG2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 31 + HG2 LYS 31 OK 90 90 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 88 88 100 100 1.8-1.8 1.8=100 HG3 LYS 26 + HG2 LYS 26 OK 66 66 100 100 1.8-1.8 1.8=100 HG2 LYS 36 + HG3 LYS 36 OK 61 61 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 31 far 14 90 15 - 2.8-9.3 QB ALA 12 - HG3 LYS 19 far 11 75 15 - 2.7-16.5 QB ALA 108 - HG3 LYS 24 far 5 100 5 - 3.1-32.2 QB ALA 29 - HG3 LYS 24 far 5 100 5 - 3.5-13.3 QB ALA 15 - HG3 LYS 24 far 5 100 5 - 2.8-17.3 HG2 LYS 19 - HG3 LYS 24 far 5 99 5 - 2.1-17.9 QB ALA 28 - HG3 LYS 24 far 5 99 5 - 3.9-12.7 QB ALA 15 - HG2 LYS 31 far 5 92 5 - 2.6-22.0 HG3 LYS 26 - HG2 LYS 31 far 5 92 5 - 3.8-16.9 QB ALA 15 - HG3 LYS 19 far 4 89 5 - 2.8-13.3 QB ALA 16 - HG3 LYS 19 far 4 78 5 - 3.6-10.3 QB ALA 21 - HG3 LYS 36 far 1 28 5 - 3.8-26.2 HG3 LYS 31 - HG3 LYS 36 far 0 58 0 - 4.1-14.2 QB ALA 21 - HG3 LYS 24 far 0 57 0 - 4.1-9.9 HG2 LYS 24 - HG3 LYS 19 far 0 90 0 - 4.1-17.9 QB ALA 110 - HG2 LYS 26 far 0 66 0 - 4.2-29.3 QB ALA 16 - HG2 LYS 31 far 0 82 0 - 4.4-24.2 HG3 LYS 26 - HG3 LYS 24 far 0 100 0 - 4.4-11.5 HG3 LYS 31 - HG3 LYS 19 far 0 86 0 - 4.5-25.5 QB ALA 29 - HG2 LYS 31 far 0 93 0 - 4.5-9.2 QB ALA 28 - HG3 LYS 19 far 0 87 0 - 4.5-20.6 HG3 LYS 31 - HG2 LYS 26 far 0 64 0 - 4.7-16.4 HG2 LYS 24 - HG2 LYS 26 far 0 68 0 - 4.7-11.2 QB ALA 108 - HG2 LYS 26 far 0 67 0 - 4.8-24.8 QB ALA 16 - HG3 LYS 24 far 0 92 0 - 4.9-17.0 QB ALA 21 - HG2 LYS 31 far 0 49 0 - 4.9-19.1 QB ALA 12 - HG2 LYS 31 far 0 78 0 - 5.1-21.9 HG3 LYS 95 - HG3 LYS 24 far 0 98 0 - 5.2-35.5 HG2 LYS 24 - HG3 LYS 36 far 0 62 0 - 5.4-28.0 HG2 LYS 24 - HG2 LYS 31 far 0 93 0 - 5.6-17.7 HG2 LYS 19 - HG2 LYS 31 far 0 92 0 - 5.6-25.5 QB ALA 109 - HG2 LYS 26 far 0 62 0 - 5.6-28.0 HG3 LYS 31 - HG3 LYS 24 far 0 98 0 - 5.7-17.0 QB ALA 21 - HG3 LYS 19 far 0 46 0 - 5.8-8.5 QB ALA 28 - HG2 LYS 26 far 0 65 0 - 5.9-8.4 QB ALA 29 - HG2 LYS 26 far 0 68 0 - 6.0-10.1 QB ALA 109 - HG3 LYS 19 far 0 84 0 - 6.0-42.7 HG2 LYS 36 - HG3 LYS 24 far 0 100 0 - 6.1-25.7 HG3 LYS 26 - HG3 LYS 36 far 0 60 0 - 6.2-25.2 HG2 LYS 95 - HG3 LYS 24 far 0 96 0 - 6.2-35.3 QB ALA 29 - HG3 LYS 36 far 0 62 0 - 6.2-11.9 HG2 LYS 36 - HG2 LYS 31 far 0 93 0 - 6.3-14.0 HG2 LYS 36 - HG2 LYS 26 far 0 67 0 - 6.3-25.0 QB ALA 12 - HG3 LYS 24 far 0 89 0 - 6.4-17.3 HB2 LEU 42 - HG3 LYS 36 far 0 61 0 - 6.5-12.2 QB ALA 15 - HG3 LYS 36 far 0 60 0 - 6.7-26.8 QB ALA 16 - HG3 LYS 36 far 0 51 0 - 6.7-26.7 QB ALA 110 - HG3 LYS 19 far 0 88 0 - 7.3-45.2 QB ALA 109 - HG3 LYS 24 far 0 97 0 - 7.4-33.8 QB ALA 21 - HG2 LYS 26 far 0 32 0 - 7.5-14.5 QB ALA 29 - HG3 LYS 19 far 0 90 0 - 7.7-21.6 HG3 LYS 26 - HG3 LYS 19 far 0 89 0 - 7.8-23.7 HG2 LYS 19 - HG3 LYS 36 far 0 60 0 - 8.0-34.6 QB ALA 28 - HG3 LYS 36 far 0 59 0 - 8.1-15.6 HG2 LYS 36 - HG3 LYS 19 far 0 89 0 - 8.2-34.3 QB ALA 15 - HG2 LYS 26 far 0 66 0 - 8.2-21.4 HG2 LYS 19 - HG2 LYS 26 far 0 66 0 - 8.7-25.7 QB ALA 108 - HG2 LYS 31 far 0 93 0 - 8.8-25.8 QB ALA 108 - HG3 LYS 19 far 0 90 0 - 8.8-41.7 QB ALA 12 - HG3 LYS 36 far 0 49 0 - 8.9-25.1 QB ALA 16 - HG2 LYS 26 far 0 57 0 - 9.4-22.0 QB ALA 110 - HG3 LYS 24 far 0 99 0 - 9.6-37.0 QB ALA 12 - HG2 LYS 26 far 0 54 0 - 9.8-21.9 Violated in 0 structures by 0.00 A. Peak 528 from aliabs.peaks (1.45, 1.45, 24.61 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 24 + HG3 LYS 24 OK 100 100 - 100 HG2 LYS 31 + HG2 LYS 31 OK 90 90 - 100 HG3 LYS 19 + HG3 LYS 19 OK 85 85 - 100 HG3 LYS 36 + HG3 LYS 36 OK 56 56 - 100 HG2 LYS 26 + HG2 LYS 26 OK 54 54 - 100 Peak 529 from aliabs.peaks (1.66, 1.45, 24.61 ppm; 3.33 A): 10 out of 57 assignments used, quality = 1.00: * HD2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 81 81 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.2-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 68 68 100 100 2.2-3.0 2.9=100 HD3 LYS 36 + HG3 LYS 36 OK 62 62 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 62 62 100 100 2.5-3.0 3.0=100 HD3 LYS 24 - HG3 LYS 19 far 13 87 15 - 4.4-17.3 HD3 LYS 26 - HG2 LYS 31 far 9 93 10 - 4.2-17.6 HD2 LYS 24 - HG3 LYS 19 far 9 90 10 - 4.4-17.3 HD3 LYS 31 - HG2 LYS 26 far 7 67 10 - 4.2-16.2 HD3 LYS 19 - HG3 LYS 24 poor 5 95 25 20 2.0-17.8 3.9/525=2, 3.9/526=2, 5.2/822=1 HD2 LYS 26 - HG2 LYS 31 far 5 93 5 - 3.5-18.0 HB2 LEU 98 - HG3 LYS 24 far 5 92 5 - 3.2-36.3 HD2 LYS 19 - HG3 LYS 24 lone 4 97 25 16 2.7-16.7 3.9/525=2, 3.9/526=2, 5.2/822=1 HD3 LYS 24 - HG2 LYS 26 far 3 65 5 - 3.7-12.2 HD3 LYS 26 - HG3 LYS 36 far 3 62 5 - 3.6-25.1 HD2 LYS 31 - HG2 LYS 26 far 0 66 0 - 5.0-16.2 HD2 LYS 36 - HG2 LYS 26 far 0 68 0 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 26 far 0 68 0 - 5.1-12.8 HD2 LYS 26 - HG3 LYS 36 far 0 62 0 - 5.1-26.0 HD2 LYS 36 - HG3 LYS 24 far 0 100 0 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 0 93 0 - 5.3-13.7 HD2 LYS 24 - HG2 LYS 31 far 0 93 0 - 5.5-17.2 HD2 LYS 24 - HG3 LYS 36 far 0 62 0 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 0 61 0 - 5.6-12.6 HD3 LYS 19 - HG2 LYS 31 far 0 85 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 87 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 68 0 - 5.7-24.0 HD2 LYS 31 - HG3 LYS 36 far 0 60 0 - 5.8-13.8 HD3 LYS 26 - HG3 LYS 24 far 0 100 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 93 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 100 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 90 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 100 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 90 0 - 6.4-26.0 HD3 LYS 24 - HG3 LYS 36 far 0 59 0 - 6.5-26.8 HD2 LYS 31 - HG3 LYS 24 far 0 99 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 88 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 57 0 - 7.1-30.0 HB2 LEU 69 - HG3 LYS 36 far 0 56 0 - 7.2-13.2 HB2 LEU 69 - HG2 LYS 31 far 0 87 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 100 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 90 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 99 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 90 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 87 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 59 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 62 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 55 0 - 9.3-23.9 HG LEU 43 - HG3 LYS 36 far 0 47 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 56 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 54 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 530 from aliabs.peaks (1.65, 1.45, 24.61 ppm; 3.34 A): 10 out of 57 assignments used, quality = 1.00: * HD3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.3-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 89 89 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HG2 LYS 26 OK 66 66 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 64 64 100 100 2.2-2.9 2.9=100 HD3 LYS 36 + HG3 LYS 36 OK 59 59 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 58 58 100 100 2.5-3.0 3.0=100 HD3 LYS 24 - HG3 LYS 19 far 14 90 15 - 4.4-17.3 HD3 LYS 26 - HG2 LYS 31 far 9 90 10 - 4.2-17.6 HD2 LYS 24 - HG3 LYS 19 far 9 87 10 - 4.4-17.3 HD3 LYS 31 - HG2 LYS 26 far 7 66 10 - 4.2-16.2 HD3 LYS 19 - HG3 LYS 24 poor 5 100 25 21 2.0-17.8 3.9/525=2, 3.9/526=2, 5.2/822=1 HB2 LEU 98 - HG3 LYS 24 far 5 99 5 - 3.2-36.3 HD2 LYS 26 - HG2 LYS 31 far 5 92 5 - 3.5-18.0 HD2 LYS 19 - HG3 LYS 24 lone 4 100 25 16 2.7-16.7 3.9/525=2, 3.9/526=2, 5.2/822=1 HD3 LYS 24 - HG2 LYS 26 far 3 68 5 - 3.7-12.2 HD3 LYS 26 - HG3 LYS 36 far 3 58 5 - 3.6-25.1 HD2 LYS 31 - HG2 LYS 26 far 0 68 0 - 5.0-16.2 HD2 LYS 36 - HG2 LYS 26 far 0 64 0 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 26 far 0 65 0 - 5.1-12.8 HD2 LYS 26 - HG3 LYS 36 far 0 60 0 - 5.1-26.0 HD2 LYS 36 - HG3 LYS 24 far 0 98 0 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 0 90 0 - 5.3-13.7 HD2 LYS 24 - HG2 LYS 31 far 0 90 0 - 5.5-17.2 HD2 LYS 24 - HG3 LYS 36 far 0 59 0 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 0 60 0 - 5.6-12.6 HD3 LYS 19 - HG2 LYS 31 far 0 92 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 93 0 - 5.7-26.4 HD3 LYS 36 - HG2 LYS 26 far 0 65 0 - 5.7-24.0 HD2 LYS 31 - HG3 LYS 36 far 0 62 0 - 5.8-13.8 HD3 LYS 26 - HG3 LYS 24 far 0 98 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 90 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 99 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 93 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 99 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 89 0 - 6.4-26.0 HD3 LYS 24 - HG3 LYS 36 far 0 62 0 - 6.5-26.8 HD2 LYS 31 - HG3 LYS 24 far 0 100 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 90 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 65 0 - 7.1-30.0 HB2 LEU 69 - HG3 LYS 36 far 0 61 0 - 7.2-13.2 HB2 LEU 69 - HG2 LYS 31 far 0 93 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 99 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 86 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 100 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 68 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 66 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 67 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 65 0 - 9.3-23.9 HG LEU 43 - HG3 LYS 36 far 0 57 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 61 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 60 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 531 from aliabs.peaks (2.95, 1.45, 24.61 ppm; 4.22 A): 10 out of 52 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.2-4.2 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 93 93 100 100 2.1-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.3-4.1 3.7=100 HE2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.3-4.0 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.3-3.8 3.8=100 HE2 LYS 26 + HG2 LYS 26 OK 66 66 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 64 64 100 100 2.0-4.0 3.6=100 HE2 LYS 36 + HG3 LYS 36 OK 59 59 100 100 2.0-4.1 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 59 59 100 100 2.2-3.5 4.0=100 HE2 LYS 19 - HG3 LYS 24 poor 20 100 20 - 3.7-17.8 HE2 LYS 24 - HG3 LYS 19 poor 18 90 20 - 3.4-18.5 HE3 LYS 26 - HG3 LYS 36 poor 14 58 25 - 4.4-26.9 HE3 LYS 24 - HG3 LYS 19 far 13 88 15 - 4.8-19.1 HE3 LYS 19 - HG3 LYS 24 poor 12 100 25 48 4.5-18.1 5.1/525=2, 5.1/526=2...(7) HE2 LYS 26 - HG3 LYS 36 poor 12 60 20 - 4.5-27.4 HE3 LYS 36 - HG2 LYS 26 far 10 65 15 - 3.8-24.9 HE2 LYS 36 - HG2 LYS 26 far 10 65 15 - 4.1-24.5 HB2 CYS 45 - HG3 LYS 36 poor 9 47 20 - 4.0-12.1 HE2 LYS 26 - HG2 LYS 31 far 9 92 10 - 3.8-19.7 HE2 LYS 36 - HG2 LYS 31 far 9 91 10 - 4.9-14.4 HE3 LYS 26 - HG2 LYS 31 far 9 90 10 - 5.3-19.4 HE2 LYS 36 - HG3 LYS 24 far 5 99 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 5 99 5 - 4.8-25.5 HE2 LYS 24 - HG2 LYS 31 far 5 93 5 - 3.3-18.4 HE3 LYS 24 - HG2 LYS 31 far 5 92 5 - 4.0-19.0 HE3 LYS 36 - HG2 LYS 31 far 5 91 5 - 5.4-14.2 HE2 LYS 31 - HG2 LYS 26 far 3 66 5 - 5.4-15.0 HE3 LYS 31 - HG3 LYS 36 far 3 62 5 - 3.7-15.5 HE2 LYS 24 - HG3 LYS 36 far 3 62 5 - 4.6-28.4 HE2 LYS 31 - HG3 LYS 36 far 3 60 5 - 4.4-14.3 HE2 LYS 24 - HG2 LYS 26 far 0 68 0 - 5.9-13.2 HE3 LYS 24 - HG2 LYS 26 far 0 66 0 - 6.0-13.5 HE3 LYS 31 - HG2 LYS 26 far 0 68 0 - 6.0-14.4 HE3 LYS 24 - HG3 LYS 36 far 0 60 0 - 6.2-28.3 HE3 LYS 26 - HG3 LYS 24 far 0 98 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 99 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 83 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 73 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 90 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 77 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 93 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 88 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 93 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 88 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 52 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 100 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 99 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 86 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 87 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 88 0 - 9.6-33.4 HE2 LYS 19 - HG3 LYS 36 far 0 61 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 532 from aliabs.peaks (2.94, 1.45, 24.61 ppm; 5.85 A): 16 out of 51 assignments used, quality = 1.00: * HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-4.2 4.0=100 HE2 LYS 24 + HG3 LYS 24 OK 99 99 100 100 2.0-3.9 4.0=100 HE3 LYS 31 + HG2 LYS 31 OK 92 92 100 100 2.1-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 86 86 100 100 2.3-4.1 3.7=100 HE2 LYS 19 + HG3 LYS 19 OK 86 86 100 100 2.3-4.0 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 86 86 100 100 2.3-3.8 3.8=100 HE2 LYS 26 + HG2 LYS 26 OK 61 61 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 57 57 100 100 2.0-4.0 3.6=100 HE2 LYS 36 + HG3 LYS 36 OK 54 54 100 100 2.0-4.1 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 54 54 100 100 2.2-3.5 4.0=100 HE3 LYS 19 + HG3 LYS 24 OK 29 98 40 73 4.5-18.1 5.1/525=4, 6.4/282=4...(32) HE2 LYS 26 + HG2 LYS 31 OK 25 86 30 98 3.8-19.7 6337/5.0=6, 4.8/823=5...(183) HE2 LYS 19 + HG3 LYS 24 OK 25 98 35 73 3.7-17.8 5.1/525=4, 6.4/282=4...(22) HE3 LYS 24 + HG3 LYS 19 OK 25 90 30 93 4.8-19.1 2634/3.0=4, 1228/3.0=4...(153) HE2 LYS 24 + HG3 LYS 19 OK 25 88 30 95 3.4-18.5 2634/3.0=4, ~1228=4...(173) HE3 LYS 26 + HG2 LYS 31 OK 24 82 30 98 5.3-19.4 6337/5.0=6, 4.8/823=5...(183) HE2 LYS 26 - HG3 LYS 36 poor 19 55 35 - 4.5-27.4 HE3 LYS 26 - HG3 LYS 24 poor 18 92 20 - 6.5-13.4 HE2 LYS 36 - HG2 LYS 31 poor 17 85 20 - 4.9-14.4 HE3 LYS 26 - HG3 LYS 36 poor 17 51 40 81 4.4-26.9 1053/3.0=10, ~1004=9...(48) HE3 LYS 31 - HG2 LYS 26 poor 16 66 25 - 6.0-14.4 HE2 LYS 31 - HG2 LYS 26 poor 15 61 25 - 5.4-15.0 HE2 LYS 24 - HG2 LYS 31 far 14 92 15 - 3.3-18.4 HE2 LYS 31 - HG3 LYS 36 poor 14 55 25 - 4.4-14.3 HE3 LYS 31 - HG3 LYS 36 poor 12 60 20 - 3.7-15.5 HE2 LYS 26 - HG3 LYS 24 far 10 96 10 - 6.7-12.9 HE3 LYS 24 - HG2 LYS 26 far 7 68 10 - 6.0-13.5 HE2 LYS 24 - HG2 LYS 26 far 7 66 10 - 5.9-13.2 HE3 LYS 36 - HG2 LYS 31 poor 6 85 30 25 5.4-14.2 6337/5.0=2, 2634/3.0=1 HE2 LYS 36 - HG3 LYS 24 far 5 95 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 5 95 5 - 4.8-25.5 HE3 LYS 24 - HG2 LYS 31 far 5 93 5 - 4.0-19.0 HB3 ASN 116 - HG3 LYS 24 far 5 93 5 - 6.8-34.9 HE2 LYS 36 - HG2 LYS 26 poor 5 59 35 22 4.1-24.5 10766/908=1 HE3 LYS 19 - HG2 LYS 31 far 4 90 5 - 7.3-26.2 HE3 LYS 31 - HG3 LYS 19 far 4 88 5 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 4 86 5 - 7.2-18.6 HE3 LYS 36 - HG2 LYS 26 lone 4 59 35 17 3.8-24.9 10766/908=2 HE3 LYS 24 - HG3 LYS 36 far 3 62 5 - 6.2-28.3 HE2 LYS 24 - HG3 LYS 36 far 3 60 5 - 4.6-28.4 HB2 CYS 45 - HG3 LYS 36 lone 3 55 55 9 4.0-12.1 10889/11286=2...(3) HE2 LYS 31 - HG3 LYS 19 far 0 83 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 90 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 83 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 61 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 99 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 96 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 78 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 96 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 81 0 - 9.6-33.4 HE2 LYS 19 - HG3 LYS 36 far 0 58 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 535 from aliabs.peaks (4.33, 1.66, 28.74 ppm; 3.46 A): 2 out of 42 assignments used, quality = 0.99: * HA LYS 24 + HD2 LYS 24 OK 90 100 90 100 2.5-5.5 483/3.0=61, 484/3.0=55...(32) HA LYS 24 + HD3 LYS 24 OK 86 96 90 100 2.2-5.0 483/3.0=61, 484/3.0=55...(32) HA LEU 69 - HD2 LYS 36 far 13 85 15 - 4.0-9.1 HA LYS 24 - HD2 LYS 26 far 10 95 10 - 4.2-10.7 HA LYS 24 - HD2 LYS 31 far 9 92 10 - 3.4-16.8 HA LYS 24 - HD3 LYS 19 far 8 82 10 - 4.4-16.0 HA LYS 24 - HD2 LYS 36 far 5 100 5 - 3.2-22.6 HA LYS 24 - HD3 LYS 36 far 5 100 5 - 4.9-23.1 HA LYS 24 - HD3 LYS 31 far 5 95 5 - 4.9-18.1 HA LEU 69 - HD3 LYS 36 far 4 85 5 - 3.7-10.4 HA CYS 125 - HD3 LYS 95 far 3 51 5 - 4.9-8.8 HA CYS 125 - HD2 LYS 95 far 2 47 5 - 3.2-9.7 HA LYS 24 - HD3 LYS 26 far 0 95 0 - 5.5-10.1 HA ASP 47 - HD2 LYS 26 far 0 92 0 - 5.8-27.9 HA2 GLY 75 - HD3 LYS 31 far 0 94 0 - 6.1-22.6 HA ASP 47 - HD3 LYS 26 far 0 93 0 - 6.1-27.8 HA LYS 24 - HD2 LYS 19 far 0 88 0 - 6.1-15.5 HA ASP 47 - HD2 LYS 19 far 0 84 0 - 6.6-39.9 HA LEU 69 - HD2 LYS 31 far 0 73 0 - 6.8-16.3 HA2 GLY 75 - HD2 LYS 36 far 0 100 0 - 6.8-16.7 HA TYR 76 - HD3 LYS 36 far 0 78 0 - 7.0-17.1 HA TYR 76 - HD2 LYS 36 far 0 78 0 - 7.1-17.2 HA2 GLY 75 - HD3 LYS 36 far 0 100 0 - 7.3-17.0 HA ASN 59 - HD3 LYS 26 far 0 94 0 - 7.7-23.3 HA2 GLY 75 - HD2 LYS 31 far 0 91 0 - 7.7-22.5 HA2 GLY 75 - HD3 LYS 26 far 0 95 0 - 7.9-26.4 HA ASP 47 - HD3 LYS 19 far 0 79 0 - 8.1-41.4 HA LEU 69 - HD3 LYS 31 far 0 76 0 - 8.3-16.6 HA LYS 24 - HD3 LYS 95 far 0 88 0 - 8.5-33.8 HA LYS 24 - HD2 LYS 95 far 0 83 0 - 8.5-35.3 HA ASP 47 - HD2 LYS 24 far 0 99 0 - 8.6-31.6 HA2 GLY 75 - HD2 LYS 26 far 0 94 0 - 8.8-26.1 HA LEU 69 - HD3 LYS 26 far 0 77 0 - 9.0-21.9 HA ASN 59 - HD2 LYS 26 far 0 94 0 - 9.1-23.9 HA ASP 47 - HD3 LYS 24 far 0 93 0 - 9.3-30.3 HA PRO 81 - HD3 LYS 19 far 0 82 0 - 9.4-46.4 HA ASN 59 - HD2 LYS 19 far 0 87 0 - 9.4-38.8 HA ASP 47 - HD3 LYS 36 far 0 99 0 - 9.4-18.3 HA GLN 134 - HD3 LYS 24 far 0 66 0 - 9.6-34.6 HA LEU 69 - HD2 LYS 26 far 0 77 0 - 9.8-22.4 HA LEU 69 - HD3 LYS 24 far 0 77 0 - 9.9-24.3 HA ASP 47 - HD2 LYS 36 far 0 99 0 - 9.9-18.5 Violated in 10 structures by 0.15 A. Peak 536 from aliabs.peaks (1.74, 1.66, 28.74 ppm; 4.74 A): 14 out of 62 assignments used, quality = 1.00: * HB2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.1-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 95 95 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.9-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 88 88 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 82 82 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 52 95 55 98 2.4-15.6 639/2.9=8, 628/2.9=8...(164) HB2 LYS 31 + HD2 LYS 26 OK 42 95 45 99 3.3-16.0 639/2.9=8, 628/2.9=8...(183) HB2 LYS 26 + HD2 LYS 31 OK 36 92 40 99 4.5-13.8 10770/10771=19...(196) HB2 LYS 19 + HD3 LYS 24 OK 28 96 30 96 4.7-15.4 823/3.0=5, 1.8/2631=4...(146) HB2 LYS 26 + HD3 LYS 31 OK 24 95 25 99 4.1-13.7 10770/10771=16...(220) HB2 ARG 23 + HD3 LYS 26 OK 21 93 30 76 3.3-13.9 3.7/11449=12...(45) HB2 LYS 24 - HD2 LYS 19 poor 16 88 35 52 4.1-16.1 790/5.2=2, 805=2...(8) HB2 ARG 23 - HD2 LYS 26 poor 16 92 25 68 2.0-13.7 ~11618=5, 433/5.7=4...(37) HB2 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.7-16.1 HB2 ARG 23 - HD2 LYS 24 far 15 99 15 - 5.8-9.7 HB2 LYS 24 - HD3 LYS 19 poor 11 82 25 55 2.7-16.8 790/5.2=2, 514/3.0=2...(8) HB2 LYS 26 - HD2 LYS 36 far 10 100 10 - 5.6-20.8 HB2 ARG 23 - HD3 LYS 24 far 9 93 10 - 4.5-9.5 HB2 LYS 24 - HD2 LYS 36 far 5 100 5 - 3.0-25.5 HB2 LYS 26 - HD2 LYS 24 far 5 100 5 - 3.6-12.6 HB2 LYS 24 - HD3 LYS 36 far 5 100 5 - 4.2-25.9 HB2 LYS 31 - HD2 LYS 36 far 5 100 5 - 5.5-12.6 HB2 LYS 26 - HD3 LYS 36 far 5 100 5 - 6.1-21.8 HB2 ARG 23 - HD3 LYS 36 far 5 99 5 - 5.5-23.2 HB2 ARG 23 - HD2 LYS 36 far 5 99 5 - 6.0-22.4 HB2 LYS 26 - HD3 LYS 24 far 5 96 5 - 2.0-12.6 HB2 LYS 31 - HD3 LYS 24 far 5 96 5 - 6.2-19.4 HB2 LYS 19 - HD3 LYS 26 far 5 95 5 - 5.6-21.9 HB2 LYS 24 - HD2 LYS 26 far 5 95 5 - 6.1-12.1 HB2 LYS 19 - HD2 LYS 26 far 5 95 5 - 6.2-21.7 HB2 LYS 19 - HD3 LYS 31 far 5 95 5 - 4.6-23.5 HB2 LYS 24 - HD3 LYS 31 far 5 95 5 - 5.9-18.6 HB2 LYS 24 - HD2 LYS 31 far 5 92 5 - 4.7-17.2 HB2 LYS 19 - HD2 LYS 31 far 5 92 5 - 5.1-23.0 HB2 ARG 23 - HD3 LYS 31 far 5 92 5 - 6.2-18.0 HB2 ARG 23 - HD2 LYS 31 far 4 89 5 - 5.5-17.1 HB2 LYS 31 - HD2 LYS 19 far 4 88 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 4 82 5 - 5.5-29.5 HB2 ARG 23 - HD2 LYS 19 far 0 84 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 100 0 - 6.5-12.1 HG13 ILE 129 - HD2 LYS 95 far 0 83 0 - 6.5-11.1 HB2 LYS 26 - HD3 LYS 19 far 0 82 0 - 6.6-24.6 HG13 ILE 129 - HD3 LYS 95 far 0 88 0 - 6.6-9.8 HB2 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.7-18.3 HG3 ARG 90 - HD3 LYS 95 far 0 85 0 - 7.0-10.9 HB2 LYS 26 - HD2 LYS 19 far 0 88 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 87 0 - 7.5-15.4 HG3 ARG 90 - HD2 LYS 95 far 0 80 0 - 7.8-12.0 HB2 ARG 23 - HD3 LYS 19 far 0 79 0 - 8.0-15.0 HB2 LYS 39 - HD3 LYS 24 far 0 79 0 - 8.5-31.4 HB2 LYS 39 - HD2 LYS 36 far 0 87 0 - 8.9-14.2 HB2 LYS 24 - HD3 LYS 95 far 0 88 0 - 9.1-34.0 HB2 LYS 19 - HD3 LYS 36 far 0 100 0 - 9.2-30.9 HG LEU 100 - HD2 LYS 31 far 0 50 0 - 9.6-21.5 HB2 LYS 24 - HD2 LYS 95 far 0 83 0 - 9.7-34.8 HB2 LYS 39 - HD2 LYS 19 far 0 71 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 52 0 - 9.9-21.8 HB2 LYS 39 - HD2 LYS 24 far 0 87 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 537 from aliabs.peaks (1.81, 1.66, 28.74 ppm; 3.44 A): 15 out of 80 assignments used, quality = 1.00: * HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=93, 482/535=29...(39) HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.0 3.5=95, 1.8/1031=36...(80) HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-4.2 3.5=95, 1.8/1031=36...(80) HB3 LYS 24 + HD3 LYS 24 OK 95 96 100 100 2.5-4.2 3.5=93, 482/535=27...(39) HB3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.0-4.1 3.5=95, 6251/5.7=21...(68) HB3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-4.0 3.5=95, 6251/5.7=21...(68) HB3 LYS 31 + HD3 LYS 31 OK 94 94 100 99 2.1-3.8 3.5=96, 6332/6.2=16...(62) HB3 LYS 31 + HD2 LYS 31 OK 91 92 100 99 2.5-4.2 3.5=96, 6332/6.2=16...(62) HB3 LYS 19 + HD2 LYS 19 OK 83 85 100 97 2.2-3.7 3.9=67, 10697/10696=11...(71) HB3 LYS 19 + HD3 LYS 19 OK 77 79 100 97 2.1-3.7 3.9=67, 10697/10696=10...(71) HB ILE 32 + HD2 LYS 36 OK 48 100 50 97 2.1-6.8 2.1/10837=24, ~10901=19...(43) HB ILE 32 + HD3 LYS 36 OK 39 100 40 97 2.3-8.3 2.1/10837=22, ~10901=19...(44) HB3 LYS 31 + HD3 LYS 26 OK 32 95 40 84 3.4-17.4 629/2.9=5, 273/2.9=4...(76) HB3 LYS 19 + HD3 LYS 24 OK 22 93 35 66 3.5-15.3 824/3.0=2, 835/3.0=2...(33) HB3 LYS 31 + HD2 LYS 26 OK 21 95 25 88 2.9-17.3 629/2.9=5, 273/2.9=4...(80) HB ILE 32 - HD3 LYS 26 poor 19 95 20 - 4.0-17.6 HB3 LYS 19 - HD2 LYS 24 poor 19 99 25 75 2.0-16.0 824/3.0=2, 2631=2...(37) HB3 LYS 24 - HD3 LYS 19 poor 16 82 20 - 2.0-16.3 HB ILE 32 - HD3 LYS 31 poor 16 94 25 67 4.1-9.2 3.0/10763=6, 10752/5.2=5...(33) HB3 LYS 26 - HD2 LYS 31 far 14 92 15 - 4.2-14.4 HB3 ARG 23 - HD3 LYS 26 poor 12 95 30 43 2.9-14.6 3.7/11449=6, 442/5.7=2...(8) HB3 ARG 23 - HD2 LYS 26 poor 12 94 30 41 2.9-14.2 442/5.7=2, ~11618=2...(8) HB2 LYS 36 - HD3 LYS 26 far 10 95 10 - 4.4-27.1 HB ILE 32 - HD2 LYS 26 far 9 95 10 - 4.1-18.3 HB3 LYS 26 - HD3 LYS 31 far 9 95 10 - 4.5-14.4 HB3 LYS 24 - HD2 LYS 36 far 5 100 5 - 4.2-24.7 HB3 ARG 23 - HD3 LYS 36 far 5 100 5 - 4.9-23.1 HB3 LYS 26 - HD3 LYS 24 far 5 96 5 - 3.7-12.3 HB3 LYS 24 - HD2 LYS 19 far 4 88 5 - 3.7-15.7 HB3 LYS 31 - HD2 LYS 19 far 4 88 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 4 82 5 - 4.1-28.8 HB2 LYS 36 - HD2 LYS 31 far 0 91 0 - 5.0-15.5 HB2 LYS 36 - HD2 LYS 26 far 0 95 0 - 5.1-27.9 HB3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.1-12.6 HB3 ARG 23 - HD3 LYS 24 far 0 95 0 - 5.2-9.3 HB3 LYS 24 - HD2 LYS 31 far 0 92 0 - 5.4-17.9 HB3 LYS 24 - HD3 LYS 36 far 0 100 0 - 5.5-25.2 HB ILE 32 - HD2 LYS 31 far 0 91 0 - 5.5-9.5 HB2 LYS 36 - HD2 LYS 24 far 0 100 0 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 0 100 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 94 0 - 5.9-14.3 HB VAL 93 - HD3 LYS 95 far 0 77 0 - 5.9-8.8 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 92 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 89 0 - 6.0-24.2 HB VAL 93 - HD2 LYS 95 far 0 72 0 - 6.0-10.4 HB3 ARG 23 - HD2 LYS 31 far 0 91 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 94 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 95 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 95 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 93 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 93 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 87 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 95 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 95 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 82 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 95 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 100 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 88 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 66 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 95 far 0 88 0 - 7.6-33.5 HB3 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 95 far 0 54 0 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 95 far 0 58 0 - 7.8-11.4 HB ILE 32 - HD3 LYS 19 far 0 82 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 81 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 87 0 - 8.1-28.1 HB3 LYS 24 - HD2 LYS 95 far 0 83 0 - 8.2-34.6 HB3 LEU 122 - HD2 LYS 24 far 0 73 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 69 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 100 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 73 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 90 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 74 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 85 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 90 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 538 from aliabs.peaks (1.38, 1.66, 28.74 ppm; 3.29 A): 14 out of 150 assignments used, quality = 1.00: * HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 88 88 100 100 2.2-3.0 2.9=100 HG2 LYS 19 + HD2 LYS 19 OK 86 86 100 100 2.5-3.0 3.0=100 HG3 LYS 95 + HD3 LYS 95 OK 84 84 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 80 80 100 100 2.2-3.0 2.9=100 HG2 LYS 19 + HD3 LYS 19 OK 80 80 100 100 2.4-3.0 3.0=100 HG3 LYS 95 + HD2 LYS 95 OK 78 78 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 75 75 100 100 2.2-2.9 2.9=100 QB ALA 28 - HD3 LYS 31 poor 18 92 20 - 2.9-9.7 HG2 LYS 19 - HD2 LYS 24 far 15 99 15 - 3.0-17.8 QB ALA 12 - HD2 LYS 19 poor 14 72 20 - 2.2-15.1 HG2 LYS 19 - HD3 LYS 24 far 14 94 15 - 2.7-16.9 HG3 LYS 26 - HD3 LYS 31 far 14 94 15 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 far 14 94 15 - 3.8-22.6 HG2 LYS 24 - HD2 LYS 19 far 13 88 15 - 3.2-16.1 HG2 LYS 24 - HD3 LYS 19 far 12 82 15 - 2.1-17.8 QB ALA 12 - HD3 LYS 19 far 10 67 15 - 2.1-15.8 HB2 LEU 42 - HD2 LYS 36 far 10 100 10 - 4.0-11.4 QB ALA 28 - HD2 LYS 24 far 10 99 10 - 4.4-13.3 HG3 LYS 31 - HD2 LYS 26 far 9 91 10 - 4.8-17.0 QB ALA 15 - HD2 LYS 19 far 9 87 10 - 3.7-12.8 QB ALA 15 - HD3 LYS 19 far 8 81 10 - 3.8-12.9 QB ALA 28 - HD2 LYS 31 poor 6 89 25 25 2.1-10.6 6304/10771=12, ~10771=8...(4) HB2 LEU 42 - HD3 LYS 36 far 5 100 5 - 3.8-11.6 QB ALA 15 - HD2 LYS 24 far 5 100 5 - 4.1-17.3 HG3 LYS 95 - HD2 LYS 24 far 5 98 5 - 3.4-37.4 HG3 LYS 31 - HD3 LYS 36 far 5 98 5 - 4.6-13.4 HG3 LYS 31 - HD2 LYS 36 far 5 98 5 - 4.8-13.4 HG2 LYS 95 - HD2 LYS 24 far 5 96 5 - 4.4-37.2 QB ALA 29 - HD3 LYS 26 far 5 95 5 - 4.5-11.4 QB ALA 108 - HD3 LYS 24 far 5 95 5 - 4.5-33.1 QB ALA 29 - HD2 LYS 26 far 5 95 5 - 4.7-11.1 QB ALA 29 - HD3 LYS 31 far 5 94 5 - 3.0-9.8 QB ALA 15 - HD3 LYS 24 far 5 95 5 - 3.5-17.1 HG3 LYS 26 - HD3 LYS 24 far 5 95 5 - 3.7-11.0 QB ALA 110 - HD3 LYS 26 far 5 94 5 - 2.4-29.3 QB ALA 110 - HD2 LYS 26 far 5 94 5 - 3.6-30.2 QB ALA 28 - HD3 LYS 24 far 5 93 5 - 4.8-12.7 HG3 LYS 95 - HD3 LYS 24 far 5 92 5 - 3.7-36.4 QB ALA 29 - HD2 LYS 31 far 5 92 5 - 2.5-9.8 HG3 LYS 31 - HD3 LYS 26 far 5 92 5 - 3.0-16.8 HG3 LYS 26 - HD2 LYS 31 far 5 91 5 - 3.6-15.7 QB ALA 15 - HD2 LYS 31 far 5 91 5 - 3.6-21.3 QB ALA 109 - HD2 LYS 26 far 4 89 5 - 4.4-27.7 HG2 LYS 95 - HD3 LYS 24 far 4 89 5 - 4.1-36.2 HG3 LYS 31 - HD2 LYS 19 far 4 84 5 - 4.6-25.3 QB ALA 12 - HD3 LYS 24 far 4 81 5 - 4.3-18.1 QB ALA 28 - HD3 LYS 19 far 4 79 5 - 4.6-21.9 HG3 LYS 31 - HD3 LYS 19 far 4 78 5 - 4.1-26.6 QB ALA 21 - HD2 LYS 24 far 3 57 5 - 3.9-10.7 QB ALA 21 - HD3 LYS 24 far 3 51 5 - 4.6-10.6 QB ALA 21 - HD3 LYS 19 far 2 40 5 - 4.5-8.8 QB ALA 16 - HD2 LYS 19 far 0 76 0 - 4.8-11.3 QB ALA 108 - HD3 LYS 26 far 0 95 0 - 4.8-26.0 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 4.8-22.9 QB ALA 21 - HD2 LYS 19 far 0 44 0 - 4.8-9.4 QB ALA 16 - HD2 LYS 24 far 0 92 0 - 4.9-17.1 HG LEU 96 - HD2 LYS 95 far 0 60 0 - 5.0-10.2 QB ALA 109 - HD3 LYS 26 far 0 90 0 - 5.1-28.1 HG2 LYS 36 - HD3 LYS 26 far 0 95 0 - 5.1-24.7 QB ALA 108 - HD2 LYS 24 far 0 100 0 - 5.1-33.9 HG2 LYS 24 - HD3 LYS 26 far 0 95 0 - 5.2-11.4 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 0 100 0 - 5.3-25.5 QB ALA 16 - HD2 LYS 31 far 0 80 0 - 5.3-24.0 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 5.3-13.3 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.3-11.0 QB ALA 29 - HD3 LYS 24 far 0 95 0 - 5.3-12.6 QB ALA 16 - HD3 LYS 19 far 0 70 0 - 5.4-11.1 QB ALA 21 - HD2 LYS 36 far 0 57 0 - 5.4-24.2 QB ALA 28 - HD2 LYS 26 far 0 92 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 89 0 - 5.6-18.4 HB2 LEU 96 - HD2 LYS 95 far 0 82 0 - 5.6-9.4 QB ALA 21 - HD3 LYS 36 far 0 57 0 - 5.6-24.7 QB ALA 21 - HD2 LYS 31 far 0 47 0 - 5.6-19.4 QB ALA 16 - HD3 LYS 24 far 0 84 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 95 0 - 5.8-11.1 HG LEU 96 - HD3 LYS 95 far 0 65 0 - 5.8-9.4 QB ALA 21 - HD3 LYS 31 far 0 50 0 - 5.8-20.4 HG2 LYS 36 - HD2 LYS 26 far 0 94 0 - 5.9-25.5 HB2 LEU 96 - HD3 LYS 95 far 0 87 0 - 5.9-9.0 HG3 LYS 31 - HD3 LYS 24 far 0 92 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 84 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 98 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 95 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 93 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 91 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 83 0 - 6.3-25.2 QB ALA 21 - HD3 LYS 26 far 0 51 0 - 6.3-14.8 QB ALA 12 - HD3 LYS 31 far 0 80 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 100 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 76 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 77 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 94 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 92 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 86 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 90 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 95 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 92 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 82 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 81 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 87 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 94 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 99 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 93 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 94 0 - 7.4-19.3 QB ALA 21 - HD2 LYS 26 far 0 50 0 - 7.4-14.7 QB ALA 16 - HD2 LYS 36 far 0 92 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 88 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 91 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 86 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 80 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 94 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 82 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 90 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 95 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 100 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 94 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 88 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 99 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 97 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 100 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 94 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 81 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 84 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 84 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 83 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 82 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 87 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 81 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 79 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 87 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 90 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 87 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 89 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 99 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 95 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 89 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 87 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 82 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 95 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 539 from aliabs.peaks (1.45, 1.66, 28.74 ppm; 2.83 A): 10 out of 64 assignments used, quality = 1.00: * HG3 LYS 24 + HD2 LYS 24 OK 92 100 100 92 2.2-3.0 3.0=86, 484/535=16...(15) HG3 LYS 36 + HD3 LYS 36 OK 91 97 100 94 2.2-3.0 3.0=85, 3.0/1031=18...(24) HG3 LYS 36 + HD2 LYS 36 OK 91 96 100 94 2.5-3.0 3.0=85, 3.0/1031=18...(24) HG3 LYS 24 + HD3 LYS 24 OK 88 96 100 92 2.2-3.0 3.0=86, 484/535=15...(15) HG2 LYS 31 + HD3 LYS 31 OK 83 91 100 92 2.3-3.0 2.9=89, 5.0/6335=5...(10) HG2 LYS 31 + HD2 LYS 31 OK 80 88 100 92 2.2-3.0 2.9=89, 5.0/6335=5...(10) HG2 LYS 26 + HD3 LYS 26 OK 77 81 100 96 2.2-2.9 2.9=94, 6252/5.7=11...(12) HG2 LYS 26 + HD2 LYS 26 OK 77 80 100 96 2.2-3.0 2.9=94, 6252/5.7=11...(12) HG3 LYS 19 + HD2 LYS 19 OK 75 83 100 91 2.2-3.0 3.0=87, 6152/6.2=6...(21) HG3 LYS 19 + HD3 LYS 19 OK 70 77 100 91 2.2-3.0 3.0=87, 6152/6.2=6...(21) HG13 ILE 32 - HD2 LYS 26 poor 19 77 25 - 2.5-16.4 HG3 LYS 24 - HD3 LYS 19 poor 16 82 20 - 2.0-17.8 HG13 ILE 32 - HD3 LYS 26 poor 15 77 20 - 2.0-15.6 HG13 ILE 32 - HD2 LYS 31 far 11 73 15 - 3.3-9.3 QB ALA 92 - HD3 LYS 95 far 11 71 15 - 3.6-6.8 QB ALA 92 - HD2 LYS 95 far 10 65 15 - 3.1-7.6 HG13 ILE 32 - HD3 LYS 31 poor 9 76 30 39 2.0-10.3 10757/5.2=4, 6333/6.2=3...(19) HG3 LYS 24 - HD2 LYS 19 far 9 88 10 - 2.7-16.7 HG2 LYS 31 - HD3 LYS 26 far 5 92 5 - 4.2-17.6 HG2 LYS 31 - HD2 LYS 26 far 5 91 5 - 3.5-18.0 HG3 LYS 36 - HD3 LYS 26 far 4 90 5 - 3.6-25.1 HG13 ILE 32 - HD3 LYS 36 far 4 85 5 - 3.6-8.5 HG13 ILE 32 - HD2 LYS 36 far 4 85 5 - 4.2-7.8 HG2 LYS 26 - HD3 LYS 24 far 4 81 5 - 3.7-12.2 HG2 LYS 26 - HD3 LYS 31 far 4 80 5 - 4.2-16.2 HG3 LYS 19 - HD2 LYS 24 far 0 97 0 - 4.4-17.3 HG3 LYS 19 - HD3 LYS 24 far 0 91 0 - 4.4-17.3 HG2 LYS 26 - HD2 LYS 31 far 0 77 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 89 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 89 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 89 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 100 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 98 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 98 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 97 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 89 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 78 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 84 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 89 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 86 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 95 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 98 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 95 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 92 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 100 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 63 0 - 6.2-26.5 HG3 LYS 19 - HD3 LYS 31 far 0 90 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 90 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 92 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 69 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.8-25.5 HG13 ILE 32 - HD3 LYS 24 far 0 77 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 85 0 - 7.4-16.8 HG3 LYS 24 - HD3 LYS 95 far 0 88 0 - 7.8-36.0 HG3 LYS 19 - HD3 LYS 26 far 0 91 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 95 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 83 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.1-22.8 HG2 LYS 26 - HD3 LYS 19 far 0 67 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 72 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 79 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 87 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 81 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 76 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 540 from aliabs.peaks (1.66, 1.66, 28.74 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 95 95 - 100 HD2 LYS 26 + HD2 LYS 26 OK 95 95 - 100 HD3 LYS 31 + HD3 LYS 31 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 93 93 - 100 HD2 LYS 31 + HD2 LYS 31 OK 90 90 - 100 HD3 LYS 95 + HD3 LYS 95 OK 88 88 - 100 HD2 LYS 19 + HD2 LYS 19 OK 81 81 - 100 HD2 LYS 95 + HD2 LYS 95 OK 80 80 - 100 HD3 LYS 19 + HD3 LYS 19 OK 73 73 - 100 Peak 541 from aliabs.peaks (1.65, 1.66, 28.74 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 36 + HD3 LYS 36 OK 99 99 - 100 HD2 LYS 36 + HD2 LYS 36 OK 98 98 - 100 HD3 LYS 24 + HD3 LYS 24 OK 96 96 - 100 HD2 LYS 26 + HD2 LYS 26 OK 94 94 - 100 HD3 LYS 31 + HD3 LYS 31 OK 94 94 - 100 HD3 LYS 26 + HD3 LYS 26 OK 92 92 - 100 HD2 LYS 31 + HD2 LYS 31 OK 92 92 - 100 HD2 LYS 19 + HD2 LYS 19 OK 87 87 - 100 HD3 LYS 95 + HD3 LYS 95 OK 86 86 - 100 HD2 LYS 95 + HD2 LYS 95 OK 82 82 - 100 HD3 LYS 19 + HD3 LYS 19 OK 81 81 - 100 Reference assignment not found: HD3 LYS 24 - HD2 LYS 24 Peak 542 from aliabs.peaks (2.95, 1.66, 28.74 ppm; 3.40 A): 20 out of 114 assignments used, quality = 1.00: * HE2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 95 95 100 100 2.4-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.4-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 82 82 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 82 82 100 100 2.3-3.0 2.9=100 HE3 LYS 26 - HD2 LYS 36 poor 20 98 20 - 2.5-24.7 HE3 LYS 36 - HD3 LYS 26 poor 19 93 20 - 3.8-24.9 HE2 LYS 24 - HD3 LYS 19 poor 16 82 20 - 2.7-18.2 HE2 LYS 36 - HD3 LYS 26 far 14 93 15 - 2.9-24.6 HE3 LYS 36 - HD2 LYS 26 far 14 93 15 - 3.3-25.8 HE2 LYS 24 - HD2 LYS 19 far 13 88 15 - 2.6-17.0 HB2 CYS 45 - HD3 LYS 36 far 13 87 15 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 far 13 87 15 - 4.5-10.8 HE3 LYS 19 - HD2 LYS 24 far 10 100 10 - 3.9-18.3 HE2 LYS 31 - HD2 LYS 36 far 10 99 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 10 99 10 - 4.3-13.8 HE3 LYS 26 - HD3 LYS 36 far 10 98 10 - 3.6-25.8 HE2 LYS 19 - HD3 LYS 24 far 10 95 10 - 4.2-18.5 HE2 LYS 36 - HD2 LYS 26 far 9 93 10 - 1.9-25.5 HE3 LYS 24 - HD2 LYS 19 far 9 86 10 - 2.9-18.4 HE3 LYS 24 - HD3 LYS 19 far 8 80 10 - 2.2-19.0 HE3 LYS 31 - HD2 LYS 36 far 5 100 5 - 3.6-14.4 HE3 LYS 31 - HD3 LYS 36 far 5 100 5 - 4.8-13.8 HE2 LYS 26 - HD2 LYS 36 far 5 99 5 - 3.3-25.2 HE2 LYS 26 - HD3 LYS 36 far 5 99 5 - 4.7-26.1 HE3 LYS 31 - HD3 LYS 26 far 5 95 5 - 4.6-14.9 HE3 LYS 19 - HD3 LYS 24 far 5 95 5 - 3.7-17.8 HE3 LYS 31 - HD2 LYS 26 far 5 95 5 - 4.9-15.3 HE2 LYS 24 - HD3 LYS 31 far 5 95 5 - 4.7-18.8 HE2 LYS 31 - HD3 LYS 26 far 5 94 5 - 4.2-14.6 HE2 LYS 31 - HD2 LYS 26 far 5 94 5 - 3.3-15.6 HE2 LYS 26 - HD3 LYS 31 far 5 93 5 - 4.6-18.1 HE2 LYS 36 - HD3 LYS 31 far 5 92 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 5 91 5 - 3.6-17.7 HE2 LYS 36 - HD2 LYS 31 far 4 89 5 - 4.6-13.1 HE3 LYS 24 - HD3 LYS 31 far 0 93 0 - 5.0-18.2 HE3 LYS 26 - HD2 LYS 31 far 0 88 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 99 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 100 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 92 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 66 0 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 0 86 0 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 89 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 93 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 92 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 92 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 90 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 100 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 58 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 86 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 75 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 81 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 90 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 94 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 88 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 54 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 80 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 73 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 79 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 78 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 99 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 95 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 99 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 98 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 100 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 93 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 75 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 82 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 96 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 99 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 79 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 83 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 88 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 94 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 79 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 94 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 85 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 79 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 94 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 83 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 99 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 66 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 99 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 73 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 87 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 94 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 80 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 85 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 86 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 79 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 73 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 78 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 66 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 543 from aliabs.peaks (2.94, 1.66, 28.74 ppm; 4.07 A): 20 out of 110 assignments used, quality = 1.00: * HE3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 89 89 100 100 2.4-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 84 84 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.3-3.0 2.9=100 HB2 CYS 45 - HD3 LYS 36 poor 19 96 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 19 96 20 - 4.5-10.8 HE3 LYS 26 - HD3 LYS 36 poor 18 92 20 - 3.6-25.8 HE3 LYS 26 - HD2 LYS 36 poor 18 92 20 - 2.5-24.7 HE2 LYS 36 - HD3 LYS 26 poor 17 87 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 17 87 20 - 3.8-24.9 HE3 LYS 36 - HD2 LYS 26 poor 17 87 20 - 3.3-25.8 HE3 LYS 19 - HD2 LYS 24 far 15 98 15 - 3.9-18.3 HE2 LYS 19 - HD2 LYS 24 far 15 98 15 - 5.2-19.0 HE2 LYS 26 - HD3 LYS 36 far 14 96 15 - 4.7-26.1 HE2 LYS 26 - HD2 LYS 36 far 14 96 15 - 3.3-25.2 HE3 LYS 19 - HD3 LYS 24 far 14 92 15 - 3.7-17.8 HE2 LYS 36 - HD2 LYS 26 far 13 87 15 - 1.9-25.5 HE3 LYS 31 - HD2 LYS 36 far 10 99 10 - 3.6-14.4 HE2 LYS 31 - HD2 LYS 36 far 10 96 10 - 3.1-14.2 HE2 LYS 31 - HD3 LYS 36 far 10 96 10 - 4.3-13.8 HE3 LYS 31 - HD3 LYS 26 far 9 94 10 - 4.6-14.9 HE2 LYS 31 - HD3 LYS 26 far 9 89 10 - 4.2-14.6 HE2 LYS 24 - HD2 LYS 19 poor 9 86 35 29 2.6-17.0 2634/3.9=2, 531/3.0=1...(4) HE3 LYS 24 - HD2 LYS 19 far 9 88 10 - 2.9-18.4 HE2 LYS 36 - HD2 LYS 31 far 8 83 10 - 4.6-13.1 HE2 LYS 19 - HD3 LYS 24 poor 7 92 25 32 4.2-18.5 5.1/2631=1, 3.8/632=1 HE2 LYS 24 - HD3 LYS 19 poor 7 80 30 28 2.7-18.2 2634/3.9=2, 531/3.0=1...(4) HE3 LYS 24 - HD3 LYS 19 poor 6 82 25 31 2.2-19.0 2634/3.9=2, 11770/5.2=2...(4) HE3 LYS 31 - HD3 LYS 36 far 5 99 5 - 4.8-13.8 HE3 LYS 24 - HD3 LYS 31 far 5 95 5 - 5.0-18.2 HE2 LYS 36 - HD2 LYS 24 far 5 95 5 - 5.2-24.7 HE3 LYS 31 - HD2 LYS 26 far 5 94 5 - 4.9-15.3 HE2 LYS 24 - HD3 LYS 31 far 5 93 5 - 4.7-18.8 HE2 LYS 31 - HD2 LYS 26 far 4 88 5 - 3.3-15.6 HE3 LYS 24 - HD3 LYS 95 far 4 88 5 - 5.3-36.2 HE2 LYS 26 - HD3 LYS 31 far 4 88 5 - 4.6-18.1 HE2 LYS 36 - HD3 LYS 31 far 4 86 5 - 4.3-12.0 HE3 LYS 36 - HD3 LYS 31 far 4 86 5 - 5.3-12.3 HE3 LYS 26 - HD3 LYS 31 far 4 83 5 - 3.6-17.7 HE3 LYS 26 - HD2 LYS 31 far 4 80 5 - 5.2-17.8 HE3 LYS 36 - HD2 LYS 31 far 0 83 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 87 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 84 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 90 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 84 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 80 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 86 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 83 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 92 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 89 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 86 0 - 6.6-34.7 HE2 LYS 31 - HD3 LYS 19 far 0 74 0 - 6.7-28.5 HB2 CYS 45 - HD3 LYS 26 far 0 89 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 88 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 96 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 94 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 95 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 99 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 87 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 84 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 80 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 94 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 100 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 89 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 81 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 86 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 95 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 88 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 91 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 79 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 73 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 91 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 93 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 100 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 88 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 79 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 96 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 87 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 96 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 89 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 88 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 74 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 79 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 80 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 73 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 87 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 92 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 70 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 79 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 546 from aliabs.peaks (4.33, 1.65, 28.74 ppm; 3.46 A): 2 out of 42 assignments used, quality = 0.99: * HA LYS 24 + HD3 LYS 24 OK 90 100 90 100 2.2-5.0 483/3.0=61, 484/3.0=55...(32) HA LYS 24 + HD2 LYS 24 OK 86 96 90 100 2.5-5.5 483/3.0=61, 484/3.0=55...(32) HA LEU 69 - HD2 LYS 36 far 11 75 15 - 4.0-9.1 HA LYS 24 - HD3 LYS 19 far 10 98 10 - 4.4-16.0 HA LYS 24 - HD2 LYS 31 far 10 95 10 - 3.4-16.8 HA LYS 24 - HD2 LYS 26 far 9 92 10 - 4.2-10.7 HA LYS 24 - HD3 LYS 36 far 5 96 5 - 4.9-23.1 HA LYS 24 - HD2 LYS 36 far 5 94 5 - 3.2-22.6 HA LYS 24 - HD3 LYS 31 far 5 93 5 - 4.9-18.1 HA LEU 69 - HD3 LYS 36 far 4 77 5 - 3.7-10.4 HA CYS 125 - HD2 LYS 95 far 3 52 5 - 3.2-9.7 HA CYS 125 - HD3 LYS 95 far 2 48 5 - 4.9-8.8 HA LYS 24 - HD3 LYS 26 far 0 87 0 - 5.5-10.1 HA ASP 47 - HD2 LYS 26 far 0 89 0 - 5.8-27.9 HA2 GLY 75 - HD3 LYS 31 far 0 92 0 - 6.1-22.6 HA ASP 47 - HD3 LYS 26 far 0 83 0 - 6.1-27.8 HA LYS 24 - HD2 LYS 19 far 0 99 0 - 6.1-15.5 HA ASP 47 - HD2 LYS 19 far 0 97 0 - 6.6-39.9 HA LEU 69 - HD2 LYS 31 far 0 77 0 - 6.8-16.3 HA2 GLY 75 - HD2 LYS 36 far 0 93 0 - 6.8-16.7 HA TYR 76 - HD3 LYS 36 far 0 71 0 - 7.0-17.1 HA TYR 76 - HD2 LYS 36 far 0 69 0 - 7.1-17.2 HA2 GLY 75 - HD3 LYS 36 far 0 95 0 - 7.3-17.0 HA ASN 59 - HD3 LYS 26 far 0 85 0 - 7.7-23.3 HA2 GLY 75 - HD2 LYS 31 far 0 94 0 - 7.7-22.5 HA2 GLY 75 - HD3 LYS 26 far 0 86 0 - 7.9-26.4 HA ASP 47 - HD3 LYS 19 far 0 95 0 - 8.1-41.4 HA LEU 69 - HD3 LYS 31 far 0 74 0 - 8.3-16.6 HA LYS 24 - HD3 LYS 95 far 0 84 0 - 8.5-33.8 HA LYS 24 - HD2 LYS 95 far 0 88 0 - 8.5-35.3 HA ASP 47 - HD2 LYS 24 far 0 93 0 - 8.6-31.6 HA2 GLY 75 - HD2 LYS 26 far 0 91 0 - 8.8-26.1 HA LEU 69 - HD3 LYS 26 far 0 68 0 - 9.0-21.9 HA ASN 59 - HD2 LYS 26 far 0 91 0 - 9.1-23.9 HA ASP 47 - HD3 LYS 24 far 0 99 0 - 9.3-30.3 HA PRO 81 - HD3 LYS 19 far 0 98 0 - 9.4-46.4 HA ASN 59 - HD2 LYS 19 far 0 98 0 - 9.4-38.8 HA ASP 47 - HD3 LYS 36 far 0 93 0 - 9.4-18.3 HA GLN 134 - HD3 LYS 24 far 0 73 0 - 9.6-34.6 HA LEU 69 - HD2 LYS 26 far 0 73 0 - 9.8-22.4 HA LEU 69 - HD3 LYS 24 far 0 85 0 - 9.9-24.3 HA ASP 47 - HD2 LYS 36 far 0 91 0 - 9.9-18.5 Violated in 10 structures by 0.15 A. Peak 547 from aliabs.peaks (1.74, 1.65, 28.74 ppm; 4.74 A): 13 out of 62 assignments used, quality = 1.00: * HB2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 98 98 100 100 2.5-4.2 3.9=100 HB2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 1.9-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 95 95 100 100 2.9-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 92 92 100 100 2.1-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 87 87 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 26 OK 47 87 55 98 2.4-15.6 639/2.9=8, 628/2.9=8...(164) HB2 LYS 31 + HD2 LYS 26 OK 41 92 45 99 3.3-16.0 639/2.9=8, 628/2.9=8...(183) HB2 LYS 26 + HD2 LYS 31 OK 38 95 40 99 4.5-13.8 10770/10771=19...(196) HB2 LYS 19 + HD3 LYS 24 OK 29 100 30 96 4.7-15.4 823/3.0=5, 1.8/2632=4...(146) HB2 LYS 26 + HD3 LYS 31 OK 23 93 25 99 4.1-13.7 10770/10771=15...(220) HB2 ARG 23 - HD3 LYS 26 poor 19 83 30 75 3.3-13.9 3.7/11449=11...(44) HB2 LYS 24 - HD2 LYS 19 poor 18 99 35 52 4.1-16.1 790/5.2=2, 255=2...(7) HB2 ARG 23 - HD2 LYS 26 poor 15 89 25 68 2.0-13.7 ~11618=5, 433/5.7=4...(37) HB2 LYS 19 - HD2 LYS 24 far 14 96 15 - 3.7-16.1 HB2 ARG 23 - HD2 LYS 24 far 14 93 15 - 5.8-9.7 HB2 LYS 24 - HD3 LYS 19 poor 13 98 25 55 2.7-16.8 790/5.2=2, 514/3.0=2...(8) HB2 ARG 23 - HD3 LYS 24 far 10 99 10 - 4.5-9.5 HB2 LYS 26 - HD2 LYS 36 far 9 94 10 - 5.6-20.8 HB2 LYS 26 - HD3 LYS 24 far 5 100 5 - 2.0-12.6 HB2 LYS 31 - HD3 LYS 24 far 5 100 5 - 6.2-19.4 HB2 LYS 31 - HD2 LYS 19 far 5 99 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 5 98 5 - 5.5-29.5 HB2 LYS 26 - HD2 LYS 24 far 5 96 5 - 3.6-12.6 HB2 LYS 24 - HD3 LYS 36 far 5 96 5 - 4.2-25.9 HB2 LYS 26 - HD3 LYS 36 far 5 96 5 - 6.1-21.8 HB2 LYS 24 - HD2 LYS 31 far 5 95 5 - 4.7-17.2 HB2 LYS 19 - HD2 LYS 31 far 5 95 5 - 5.1-23.0 HB2 LYS 24 - HD2 LYS 36 far 5 94 5 - 3.0-25.5 HB2 LYS 31 - HD2 LYS 36 far 5 94 5 - 5.5-12.6 HB2 LYS 19 - HD3 LYS 31 far 5 93 5 - 4.6-23.5 HB2 LYS 24 - HD3 LYS 31 far 5 93 5 - 5.9-18.6 HB2 ARG 23 - HD3 LYS 36 far 5 93 5 - 5.5-23.2 HB2 ARG 23 - HD2 LYS 31 far 5 92 5 - 5.5-17.1 HB2 LYS 24 - HD2 LYS 26 far 5 92 5 - 6.1-12.1 HB2 LYS 19 - HD2 LYS 26 far 5 92 5 - 6.2-21.7 HB2 ARG 23 - HD2 LYS 36 far 5 91 5 - 6.0-22.4 HB2 ARG 23 - HD3 LYS 31 far 4 90 5 - 6.2-18.0 HB2 LYS 19 - HD3 LYS 26 far 4 87 5 - 5.6-21.9 HB2 ARG 23 - HD2 LYS 19 far 0 97 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 96 0 - 6.5-12.1 HG13 ILE 129 - HD2 LYS 95 far 0 88 0 - 6.5-11.1 HB2 LYS 26 - HD3 LYS 19 far 0 98 0 - 6.6-24.6 HG13 ILE 129 - HD3 LYS 95 far 0 84 0 - 6.6-9.8 HB2 LYS 31 - HD2 LYS 24 far 0 96 0 - 6.7-18.3 HG3 ARG 90 - HD3 LYS 95 far 0 81 0 - 7.0-10.9 HB2 LYS 26 - HD2 LYS 19 far 0 99 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 79 0 - 7.5-15.4 HG3 ARG 90 - HD2 LYS 95 far 0 86 0 - 7.8-12.0 HB2 ARG 23 - HD3 LYS 19 far 0 95 0 - 8.0-15.0 HB2 LYS 39 - HD3 LYS 24 far 0 87 0 - 8.5-31.4 HB2 LYS 39 - HD2 LYS 36 far 0 77 0 - 8.9-14.2 HB2 LYS 24 - HD3 LYS 95 far 0 84 0 - 9.1-34.0 HB2 LYS 19 - HD3 LYS 36 far 0 96 0 - 9.2-30.9 HG LEU 100 - HD2 LYS 31 far 0 53 0 - 9.6-21.5 HB2 LYS 24 - HD2 LYS 95 far 0 88 0 - 9.7-34.8 HB2 LYS 39 - HD2 LYS 19 far 0 84 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 51 0 - 9.9-21.8 HB2 LYS 39 - HD2 LYS 24 far 0 79 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 548 from aliabs.peaks (1.81, 1.65, 28.74 ppm; 3.47 A): 15 out of 80 assignments used, quality = 1.00: * HB3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=95, 482/546=29...(39) HB3 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-4.2 3.5=95, 482/546=28...(39) HB2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.1-4.0 3.5=96, 1.8/1031=35...(80) HB3 LYS 19 + HD2 LYS 19 OK 95 97 100 98 2.2-3.7 3.9=68, 10697/10696=12...(71) HB3 LYS 31 + HD2 LYS 31 OK 95 95 100 100 2.5-4.2 3.5=98, 6332/6.2=16...(62) HB3 LYS 19 + HD3 LYS 19 OK 94 96 100 98 2.1-3.7 3.9=68, 10697/10696=12...(71) HB2 LYS 36 + HD2 LYS 36 OK 93 94 100 100 2.0-4.2 3.5=96, 1.8/1031=34...(80) HB3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.1-3.8 3.5=98, 6332/6.2=16...(62) HB3 LYS 26 + HD2 LYS 26 OK 91 92 100 100 2.2-4.0 3.5=96, 6251/5.7=22...(68) HB3 LYS 26 + HD3 LYS 26 OK 86 87 100 100 2.0-4.1 3.5=96, 6251/5.7=22...(68) HB ILE 32 + HD2 LYS 36 OK 45 94 50 97 2.1-6.8 2.1/10837=22, ~10901=19...(43) HB ILE 32 + HD3 LYS 36 OK 37 95 40 96 2.3-8.3 2.1/10837=21, ~10901=19...(44) HB3 LYS 31 + HD3 LYS 26 OK 29 86 40 85 3.4-17.4 629/2.9=5, 273/2.9=4...(76) HB3 LYS 19 + HD3 LYS 24 OK 23 99 35 68 3.5-15.3 824/3.0=2, 835/3.0=2...(37) HB3 LYS 31 + HD2 LYS 26 OK 20 92 25 88 2.9-17.3 629/2.9=5, 273/2.9=4...(80) HB3 LYS 24 - HD3 LYS 19 poor 20 98 20 - 2.0-16.3 HB ILE 32 - HD3 LYS 31 poor 18 93 30 66 4.1-9.2 3.0/10763=6, 10752/5.2=5...(33) HB3 LYS 19 - HD2 LYS 24 poor 18 93 25 76 2.0-16.0 824/3.0=2, 2631=2...(41) HB ILE 32 - HD3 LYS 26 poor 17 86 20 - 4.0-17.6 HB3 LYS 26 - HD2 LYS 31 far 14 95 15 - 4.2-14.4 HB3 ARG 23 - HD2 LYS 26 poor 12 91 30 42 2.9-14.2 442/5.7=2, ~11618=2...(8) HB3 ARG 23 - HD3 LYS 26 poor 10 86 30 39 2.9-14.6 442/5.7=2, 3.0/3938=2...(7) HB3 LYS 26 - HD3 LYS 31 far 9 93 10 - 4.5-14.4 HB ILE 32 - HD2 LYS 26 far 9 91 10 - 4.1-18.3 HB2 LYS 36 - HD3 LYS 26 far 9 86 10 - 4.4-27.1 HB3 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-12.3 HB3 LYS 24 - HD2 LYS 19 far 5 99 5 - 3.7-15.7 HB3 LYS 31 - HD2 LYS 19 far 5 99 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 5 98 5 - 4.1-28.8 HB3 ARG 23 - HD3 LYS 36 far 5 95 5 - 4.9-23.1 HB3 LYS 24 - HD2 LYS 36 far 5 94 5 - 4.2-24.7 HB2 LYS 36 - HD2 LYS 31 far 0 95 0 - 5.0-15.5 HB2 LYS 36 - HD2 LYS 26 far 0 91 0 - 5.1-27.9 HB3 LYS 26 - HD2 LYS 24 far 0 96 0 - 5.1-12.6 HB3 ARG 23 - HD3 LYS 24 far 0 100 0 - 5.2-9.3 HB3 LYS 24 - HD2 LYS 31 far 0 95 0 - 5.4-17.9 HB3 LYS 24 - HD3 LYS 36 far 0 96 0 - 5.5-25.2 HB ILE 32 - HD2 LYS 31 far 0 95 0 - 5.5-9.5 HB2 LYS 36 - HD2 LYS 24 far 0 95 0 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 0 93 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 93 0 - 5.9-14.3 HB VAL 93 - HD3 LYS 95 far 0 74 0 - 5.9-8.8 HB3 ARG 23 - HD2 LYS 24 far 0 95 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 91 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 96 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 93 0 - 6.0-24.2 HB VAL 93 - HD2 LYS 95 far 0 78 0 - 6.0-10.4 HB3 ARG 23 - HD2 LYS 31 far 0 94 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 92 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 93 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 92 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 89 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 94 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 84 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 94 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 98 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 100 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 100 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 98 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 100 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 95 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 99 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 73 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 95 far 0 84 0 - 7.6-33.5 HB3 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 95 far 0 58 0 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 95 far 0 55 0 - 7.8-11.4 HB ILE 32 - HD3 LYS 19 far 0 97 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 97 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 99 0 - 8.1-28.1 HB3 LYS 24 - HD2 LYS 95 far 0 88 0 - 8.2-34.6 HB3 LEU 122 - HD2 LYS 24 far 0 66 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 86 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 95 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 63 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 83 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 88 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 81 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 81 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 549 from aliabs.peaks (1.38, 1.65, 28.74 ppm; 3.31 A): 14 out of 150 assignments used, quality = 1.00: * HG2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 98 98 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 96 96 100 100 2.4-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.3-3.0 3.0=100 HG3 LYS 31 + HD2 LYS 31 OK 91 91 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 91 91 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 89 89 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 84 84 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 81 81 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 80 80 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 76 76 100 100 2.2-3.0 2.9=100 QB ALA 28 - HD3 LYS 31 poor 18 90 20 - 2.9-9.7 QB ALA 12 - HD2 LYS 19 poor 17 86 20 - 2.2-15.1 HG2 LYS 19 - HD3 LYS 24 far 15 99 15 - 2.7-16.9 HG2 LYS 24 - HD2 LYS 19 far 15 99 15 - 3.2-16.1 HG2 LYS 24 - HD3 LYS 19 far 15 98 15 - 2.1-17.8 HG2 LYS 19 - HD2 LYS 24 far 14 94 15 - 3.0-17.8 HG3 LYS 26 - HD3 LYS 31 far 14 92 15 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 far 14 92 15 - 3.8-22.6 QB ALA 12 - HD3 LYS 19 far 13 84 15 - 2.1-15.8 QB ALA 15 - HD2 LYS 19 far 10 98 10 - 3.7-12.8 QB ALA 15 - HD3 LYS 19 far 10 97 10 - 3.8-12.9 HB2 LEU 42 - HD2 LYS 36 far 9 94 10 - 4.0-11.4 QB ALA 28 - HD2 LYS 24 far 9 93 10 - 4.4-13.3 HG3 LYS 31 - HD2 LYS 26 far 9 88 10 - 4.8-17.0 QB ALA 28 - HD2 LYS 31 poor 6 92 25 25 2.1-10.6 6304/10771=12, ~10771=8...(4) QB ALA 108 - HD3 LYS 24 far 5 100 5 - 4.5-33.1 QB ALA 15 - HD3 LYS 24 far 5 100 5 - 3.5-17.1 HG3 LYS 26 - HD3 LYS 24 far 5 100 5 - 3.7-11.0 QB ALA 28 - HD3 LYS 24 far 5 99 5 - 4.8-12.7 HG3 LYS 95 - HD3 LYS 24 far 5 98 5 - 3.7-36.4 HG3 LYS 31 - HD2 LYS 19 far 5 96 5 - 4.6-25.3 HG2 LYS 95 - HD3 LYS 24 far 5 96 5 - 4.1-36.2 HB2 LEU 42 - HD3 LYS 36 far 5 95 5 - 3.8-11.6 QB ALA 29 - HD2 LYS 31 far 5 95 5 - 2.5-9.8 QB ALA 28 - HD3 LYS 19 far 5 95 5 - 4.6-21.9 QB ALA 15 - HD2 LYS 24 far 5 95 5 - 4.1-17.3 HG3 LYS 31 - HD3 LYS 19 far 5 94 5 - 4.1-26.6 HG3 LYS 26 - HD2 LYS 31 far 5 94 5 - 3.6-15.7 QB ALA 15 - HD2 LYS 31 far 5 94 5 - 3.6-21.3 QB ALA 29 - HD3 LYS 31 far 5 93 5 - 3.0-9.8 HG3 LYS 95 - HD2 LYS 24 far 5 92 5 - 3.4-37.4 HG3 LYS 31 - HD3 LYS 36 far 5 92 5 - 4.6-13.4 QB ALA 29 - HD2 LYS 26 far 5 92 5 - 4.7-11.1 QB ALA 110 - HD2 LYS 26 far 5 90 5 - 3.6-30.2 HG3 LYS 31 - HD2 LYS 36 far 4 90 5 - 4.8-13.4 QB ALA 16 - HD2 LYS 19 far 4 89 5 - 4.8-11.3 HG2 LYS 95 - HD2 LYS 24 far 4 89 5 - 4.4-37.2 QB ALA 12 - HD3 LYS 24 far 4 89 5 - 4.3-18.1 QB ALA 29 - HD3 LYS 26 far 4 86 5 - 4.5-11.4 QB ALA 109 - HD2 LYS 26 far 4 86 5 - 4.4-27.7 QB ALA 110 - HD3 LYS 26 far 4 85 5 - 2.4-29.3 HG3 LYS 31 - HD3 LYS 26 far 4 82 5 - 3.0-16.8 QB ALA 21 - HD3 LYS 24 far 3 57 5 - 4.6-10.6 QB ALA 21 - HD3 LYS 19 far 3 53 5 - 4.5-8.8 QB ALA 21 - HD2 LYS 24 far 3 51 5 - 3.9-10.7 QB ALA 108 - HD3 LYS 26 far 0 86 0 - 4.8-26.0 HG3 LYS 26 - HD2 LYS 36 far 0 93 0 - 4.8-22.9 QB ALA 21 - HD2 LYS 19 far 0 55 0 - 4.8-9.4 QB ALA 16 - HD2 LYS 24 far 0 84 0 - 4.9-17.1 HG LEU 96 - HD2 LYS 95 far 0 65 0 - 5.0-10.2 QB ALA 109 - HD3 LYS 26 far 0 80 0 - 5.1-28.1 HG2 LYS 36 - HD3 LYS 26 far 0 86 0 - 5.1-24.7 QB ALA 108 - HD2 LYS 24 far 0 95 0 - 5.1-33.9 HG2 LYS 24 - HD3 LYS 26 far 0 87 0 - 5.2-11.4 QB ALA 29 - HD3 LYS 36 far 0 95 0 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 0 94 0 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 0 94 0 - 5.3-25.5 QB ALA 16 - HD2 LYS 31 far 0 84 0 - 5.3-24.0 QB ALA 29 - HD2 LYS 24 far 0 95 0 - 5.3-13.3 HG3 LYS 26 - HD2 LYS 24 far 0 95 0 - 5.3-11.0 QB ALA 29 - HD3 LYS 24 far 0 100 0 - 5.3-12.6 QB ALA 16 - HD3 LYS 19 far 0 87 0 - 5.4-11.1 QB ALA 21 - HD2 LYS 36 far 0 49 0 - 5.4-24.2 QB ALA 28 - HD2 LYS 26 far 0 89 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 81 0 - 5.6-18.4 HB2 LEU 96 - HD2 LYS 95 far 0 87 0 - 5.6-9.4 QB ALA 21 - HD3 LYS 36 far 0 51 0 - 5.6-24.7 QB ALA 21 - HD2 LYS 31 far 0 50 0 - 5.6-19.4 QB ALA 16 - HD3 LYS 24 far 0 92 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 92 0 - 5.8-11.1 HG LEU 96 - HD3 LYS 95 far 0 61 0 - 5.8-9.4 QB ALA 21 - HD3 LYS 31 far 0 48 0 - 5.8-20.4 HG2 LYS 36 - HD2 LYS 26 far 0 91 0 - 5.9-25.5 HB2 LEU 96 - HD3 LYS 95 far 0 83 0 - 5.9-9.0 HG3 LYS 31 - HD3 LYS 24 far 0 98 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 97 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 95 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 92 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 91 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 83 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 94 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 81 0 - 6.3-25.2 QB ALA 21 - HD3 LYS 26 far 0 44 0 - 6.3-14.8 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 96 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 93 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 80 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 92 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 84 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 95 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 98 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 94 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 93 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 95 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 98 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 94 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 84 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 91 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 91 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 91 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 85 0 - 7.4-19.3 QB ALA 21 - HD2 LYS 26 far 0 47 0 - 7.4-14.7 QB ALA 16 - HD2 LYS 36 far 0 82 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 99 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 95 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 82 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 96 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 85 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 88 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 97 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 100 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 93 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 93 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 84 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 93 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 90 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 95 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 86 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 80 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 75 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 88 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 97 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 99 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 97 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 85 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 94 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 98 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 79 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 94 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 86 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 84 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 88 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 100 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 550 from aliabs.peaks (1.45, 1.65, 28.74 ppm; 2.84 A): 10 out of 64 assignments used, quality = 1.00: * HG3 LYS 24 + HD3 LYS 24 OK 93 100 100 93 2.2-3.0 3.0=88, 484/546=16...(16) HG3 LYS 24 + HD2 LYS 24 OK 89 96 100 93 2.2-3.0 3.0=88, 484/546=15...(16) HG3 LYS 19 + HD2 LYS 19 OK 88 95 100 93 2.2-3.0 3.0=89, 6152/6.2=7...(22) HG3 LYS 19 + HD3 LYS 19 OK 87 94 100 93 2.2-3.0 3.0=89, 6152/6.2=7...(22) HG3 LYS 36 + HD3 LYS 36 OK 85 90 100 95 2.2-3.0 3.0=87, 3.0/1042=17...(23) HG2 LYS 31 + HD2 LYS 31 OK 85 91 100 93 2.2-3.0 2.9=90, 5.0/6336=5...(12) HG3 LYS 36 + HD2 LYS 36 OK 83 88 100 95 2.5-3.0 3.0=87, 3.0/1031=17...(24) HG2 LYS 31 + HD3 LYS 31 OK 83 89 100 93 2.3-3.0 2.9=90, 5.0/6336=5...(12) HG2 LYS 26 + HD2 LYS 26 OK 74 77 100 97 2.2-3.0 2.9=95, 6252/5.7=11...(12) HG2 LYS 26 + HD3 LYS 26 OK 69 71 100 97 2.2-2.9 2.9=95, 6252/5.7=11...(12) HG3 LYS 24 - HD3 LYS 19 poor 20 98 20 - 2.0-17.8 HG13 ILE 32 - HD2 LYS 26 poor 18 73 25 - 2.5-16.4 HG13 ILE 32 - HD3 LYS 26 poor 14 68 20 - 2.0-15.6 HG13 ILE 32 - HD2 LYS 31 far 11 77 15 - 3.3-9.3 QB ALA 92 - HD2 LYS 95 far 11 71 15 - 3.1-7.6 QB ALA 92 - HD3 LYS 95 far 10 67 15 - 3.6-6.8 HG3 LYS 24 - HD2 LYS 19 far 10 99 10 - 2.7-16.7 HG13 ILE 32 - HD3 LYS 31 poor 8 74 30 38 2.0-10.3 10757/5.2=4, 6333/6.2=3...(18) HG13 ILE 32 - HD2 LYS 36 far 8 75 10 - 4.2-7.8 HG2 LYS 26 - HD3 LYS 24 far 4 89 5 - 3.7-12.2 HG2 LYS 31 - HD2 LYS 26 far 4 88 5 - 3.5-18.0 HG2 LYS 31 - HD3 LYS 26 far 4 82 5 - 4.2-17.6 HG3 LYS 36 - HD3 LYS 26 far 4 80 5 - 3.6-25.1 HG2 LYS 26 - HD3 LYS 31 far 4 78 5 - 4.2-16.2 HG13 ILE 32 - HD3 LYS 36 far 4 77 5 - 3.6-8.5 HG3 LYS 19 - HD2 LYS 24 far 0 91 0 - 4.4-17.3 HG3 LYS 19 - HD3 LYS 24 far 0 97 0 - 4.4-17.3 HG2 LYS 26 - HD2 LYS 31 far 0 80 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 79 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 81 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 86 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 94 0 - 5.1-23.7 HG2 LYS 31 - HD3 LYS 36 far 0 92 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 92 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 90 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 87 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 94 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 96 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 81 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 89 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 87 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 90 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 92 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 98 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 96 0 - 6.1-24.1 HG13 ILE 32 - HD3 LYS 19 far 0 80 0 - 6.2-26.5 HG3 LYS 19 - HD3 LYS 31 far 0 88 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 97 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 95 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 82 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 90 0 - 6.8-25.5 HG13 ILE 32 - HD3 LYS 24 far 0 85 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 77 0 - 7.4-16.8 HG3 LYS 24 - HD3 LYS 95 far 0 84 0 - 7.8-36.0 HG3 LYS 19 - HD3 LYS 26 far 0 81 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 93 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 88 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 87 0 - 8.1-22.8 HG2 LYS 26 - HD3 LYS 19 far 0 84 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 86 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 87 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 79 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 94 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 93 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 551 from aliabs.peaks (1.66, 1.65, 28.74 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 96 96 - 100 HD3 LYS 36 + HD3 LYS 36 OK 96 96 - 100 HD2 LYS 19 + HD2 LYS 19 OK 94 94 - 100 HD2 LYS 36 + HD2 LYS 36 OK 94 94 - 100 HD2 LYS 31 + HD2 LYS 31 OK 94 94 - 100 HD3 LYS 31 + HD3 LYS 31 OK 93 93 - 100 HD2 LYS 26 + HD2 LYS 26 OK 92 92 - 100 HD3 LYS 19 + HD3 LYS 19 OK 90 90 - 100 HD3 LYS 26 + HD3 LYS 26 OK 87 87 - 100 HD2 LYS 95 + HD2 LYS 95 OK 86 86 - 100 HD3 LYS 95 + HD3 LYS 95 OK 84 84 - 100 Reference assignment not found: HD2 LYS 24 - HD3 LYS 24 Peak 552 from aliabs.peaks (1.65, 1.65, 28.74 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 99 99 - 100 HD3 LYS 19 + HD3 LYS 19 OK 97 97 - 100 HD2 LYS 31 + HD2 LYS 31 OK 95 95 - 100 HD3 LYS 36 + HD3 LYS 36 OK 93 93 - 100 HD2 LYS 24 + HD2 LYS 24 OK 93 93 - 100 HD3 LYS 31 + HD3 LYS 31 OK 92 92 - 100 HD2 LYS 26 + HD2 LYS 26 OK 90 90 - 100 HD2 LYS 36 + HD2 LYS 36 OK 90 90 - 100 HD2 LYS 95 + HD2 LYS 95 OK 88 88 - 100 HD3 LYS 26 + HD3 LYS 26 OK 82 82 - 100 HD3 LYS 95 + HD3 LYS 95 OK 82 82 - 100 Peak 553 from aliabs.peaks (2.95, 1.65, 28.74 ppm; 3.42 A): 20 out of 114 assignments used, quality = 1.00: * HE2 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 99 99 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 97 97 100 100 2.3-3.0 2.9=100 HE2 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 93 93 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.4-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 88 88 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 85 85 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 82 82 100 100 2.2-3.0 3.0=100 HE2 LYS 24 - HD3 LYS 19 poor 20 98 20 - 2.7-18.2 HE3 LYS 26 - HD2 LYS 36 poor 18 90 20 - 2.5-24.7 HE3 LYS 36 - HD3 LYS 26 poor 17 84 20 - 3.8-24.9 HE2 LYS 24 - HD2 LYS 19 far 15 99 15 - 2.6-17.0 HE3 LYS 36 - HD2 LYS 26 far 13 89 15 - 3.3-25.8 HE2 LYS 36 - HD3 LYS 26 far 13 84 15 - 2.9-24.6 HB2 CYS 45 - HD3 LYS 36 far 12 79 15 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 far 12 77 15 - 4.5-10.8 HE2 LYS 19 - HD3 LYS 24 far 10 100 10 - 4.2-18.5 HE3 LYS 24 - HD2 LYS 19 far 10 98 10 - 2.9-18.4 HE3 LYS 24 - HD3 LYS 19 far 10 96 10 - 2.2-19.0 HE3 LYS 19 - HD2 LYS 24 far 10 95 10 - 3.9-18.3 HE2 LYS 31 - HD3 LYS 36 far 9 94 10 - 4.3-13.8 HE2 LYS 31 - HD2 LYS 36 far 9 92 10 - 3.1-14.2 HE3 LYS 26 - HD3 LYS 36 far 9 92 10 - 3.6-25.8 HE2 LYS 36 - HD2 LYS 26 far 9 89 10 - 1.9-25.5 HE3 LYS 19 - HD3 LYS 24 far 5 100 5 - 3.7-17.8 HE3 LYS 31 - HD3 LYS 36 far 5 96 5 - 4.8-13.8 HE3 LYS 31 - HD2 LYS 36 far 5 94 5 - 3.6-14.4 HE2 LYS 26 - HD3 LYS 36 far 5 94 5 - 4.7-26.1 HE2 LYS 24 - HD3 LYS 31 far 5 93 5 - 4.7-18.8 HE2 LYS 36 - HD2 LYS 31 far 5 93 5 - 4.6-13.1 HE2 LYS 26 - HD2 LYS 36 far 5 92 5 - 3.3-25.2 HE3 LYS 31 - HD2 LYS 26 far 5 92 5 - 4.9-15.3 HE2 LYS 26 - HD3 LYS 31 far 5 91 5 - 4.6-18.1 HE2 LYS 36 - HD3 LYS 31 far 5 91 5 - 4.3-12.0 HE2 LYS 31 - HD2 LYS 26 far 5 90 5 - 3.3-15.6 HE3 LYS 26 - HD3 LYS 31 far 4 89 5 - 3.6-17.7 HE3 LYS 31 - HD3 LYS 26 far 4 87 5 - 4.6-14.9 HE2 LYS 31 - HD3 LYS 26 far 4 85 5 - 4.2-14.6 HE3 LYS 24 - HD3 LYS 31 far 0 91 0 - 5.0-18.2 HE3 LYS 26 - HD2 LYS 31 far 0 91 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 93 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 95 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 91 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 73 0 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 0 82 0 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 93 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 99 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 98 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 95 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 94 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 94 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 55 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 98 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 83 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 86 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 94 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 99 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 84 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 58 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 96 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 66 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 69 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 76 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 94 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 93 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 92 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 96 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 96 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 99 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 79 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 98 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 100 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 92 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 87 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 88 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 99 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 90 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 75 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 93 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 97 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 85 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 96 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 93 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 75 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 94 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 95 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 73 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 94 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 66 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 79 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 99 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 95 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 96 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 97 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 98 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 96 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 64 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 86 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 94 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 73 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 554 from aliabs.peaks (2.94, 1.65, 28.74 ppm; 4.09 A): 20 out of 110 assignments used, quality = 1.00: * HE3 LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HE3 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 94 94 100 100 2.3-3.0 2.9=100 HE2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 91 91 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 85 85 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 80 80 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 79 79 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 75 75 100 100 2.2-3.0 3.0=100 HE3 LYS 19 - HD3 LYS 24 poor 20 98 20 - 3.7-17.8 HB2 CYS 45 - HD3 LYS 36 poor 18 89 20 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 poor 17 87 20 - 4.5-10.8 HE3 LYS 26 - HD3 LYS 36 poor 17 84 20 - 3.6-25.8 HE3 LYS 36 - HD2 LYS 26 poor 17 83 20 - 3.3-25.8 HE3 LYS 26 - HD2 LYS 36 poor 16 82 20 - 2.5-24.7 HE2 LYS 36 - HD3 LYS 26 poor 16 78 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 16 78 20 - 3.8-24.9 HE3 LYS 19 - HD2 LYS 24 far 14 92 15 - 3.9-18.3 HE2 LYS 19 - HD2 LYS 24 far 14 92 15 - 5.2-19.0 HE2 LYS 26 - HD3 LYS 36 far 13 89 15 - 4.7-26.1 HE2 LYS 26 - HD2 LYS 36 far 13 87 15 - 3.3-25.2 HE2 LYS 36 - HD2 LYS 26 far 12 83 15 - 1.9-25.5 HE2 LYS 24 - HD2 LYS 19 poor 10 98 35 30 2.6-17.0 2634/3.9=2, 531/3.0=1...(4) HE3 LYS 24 - HD2 LYS 19 far 10 99 10 - 2.9-18.4 HE3 LYS 31 - HD2 LYS 36 far 9 92 10 - 3.6-14.4 HE2 LYS 31 - HD3 LYS 36 far 9 89 10 - 4.3-13.8 HE2 LYS 31 - HD2 LYS 36 far 9 87 10 - 3.1-14.2 HE2 LYS 36 - HD2 LYS 31 far 9 87 10 - 4.6-13.1 HE3 LYS 31 - HD3 LYS 26 far 8 85 10 - 4.6-14.9 HE2 LYS 19 - HD3 LYS 24 poor 8 98 25 34 4.2-18.5 5.1/2632=2, 3.8/307=1...(4) HE2 LYS 24 - HD3 LYS 19 poor 8 96 30 29 2.7-18.2 2634/3.9=2, 531/3.0=1...(4) HE2 LYS 31 - HD3 LYS 26 far 8 79 10 - 4.2-14.6 HE3 LYS 24 - HD3 LYS 19 poor 8 98 25 31 2.2-19.0 2634/3.9=2, 11770/5.2=2...(4) HE3 LYS 31 - HD3 LYS 36 far 5 94 5 - 4.8-13.8 HE3 LYS 24 - HD3 LYS 31 far 5 93 5 - 5.0-18.2 HE2 LYS 24 - HD3 LYS 31 far 5 91 5 - 4.7-18.8 HE3 LYS 31 - HD2 LYS 26 far 5 90 5 - 4.9-15.3 HE2 LYS 36 - HD2 LYS 24 far 4 87 5 - 5.2-24.7 HE2 LYS 26 - HD3 LYS 31 far 4 86 5 - 4.6-18.1 HE2 LYS 31 - HD2 LYS 26 far 4 84 5 - 3.3-15.6 HE2 LYS 36 - HD3 LYS 31 far 4 84 5 - 4.3-12.0 HE3 LYS 36 - HD3 LYS 31 far 4 84 5 - 5.3-12.3 HE3 LYS 24 - HD3 LYS 95 far 4 84 5 - 5.3-36.2 HE3 LYS 26 - HD2 LYS 31 far 4 84 5 - 5.2-17.8 HE3 LYS 26 - HD3 LYS 31 far 4 81 5 - 3.6-17.7 HE3 LYS 36 - HD2 LYS 31 far 0 87 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 95 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 92 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 94 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 88 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 92 0 - 6.3-25.9 HE2 LYS 31 - HD2 LYS 19 far 0 93 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 93 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 88 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 95 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 82 0 - 6.6-34.7 HE2 LYS 31 - HD3 LYS 19 far 0 91 0 - 6.7-28.5 HB2 CYS 45 - HD3 LYS 26 far 0 79 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 86 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 89 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 90 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 87 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 84 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 94 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 85 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 94 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 95 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 88 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 96 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 99 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 94 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 96 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 86 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 98 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 92 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 84 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 89 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 92 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 90 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 89 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 86 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 96 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 87 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 89 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 79 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 89 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 96 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 91 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 92 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 93 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 90 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 77 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 82 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 87 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 87 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 558 from aliabs.peaks (1.74, 2.95, 41.80 ppm; 5.40 A): 18 out of 56 assignments used, quality = 1.00: * HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 3.1-5.1 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-4.9 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.6-5.5 4.8=100 HB ILE 80 + HE3 LYS 86 OK 65 68 95 100 2.3-7.3 ~11243=72, 9713/3.7=64...(24) HB2 LYS 31 + HE2 LYS 26 OK 52 98 55 96 3.2-17.5 639/3.6=8, 628/3.6=8...(148) HG3 ARG 90 + HE3 LYS 86 OK 51 70 75 96 4.2-9.7 11303/9660=73...(8) HB2 LYS 31 + HE3 LYS 26 OK 45 94 50 95 3.4-17.3 639/3.6=8, 628/3.6=8...(135) HB2 LYS 19 + HE3 LYS 24 OK 36 98 40 92 5.3-18.0 823/4.0=5, 1.8/2634=4...(121) HB2 ARG 23 + HE2 LYS 26 OK 33 96 55 62 3.9-14.3 3.0/11618=11, ~11618=6...(40) HB2 LYS 26 + HE3 LYS 31 OK 30 100 35 86 4.2-12.2 834/3.7=7, 823/3.7=7...(102) HB2 LYS 19 + HE2 LYS 24 OK 28 100 30 92 4.1-17.5 823/4.0=5, 1.8/2634=5...(131) HB2 LYS 26 + HE2 LYS 31 OK 25 98 30 86 4.4-12.8 834/3.7=7, 823/3.7=7...(103) HB2 ARG 23 + HE3 LYS 26 OK 25 91 45 61 3.3-14.8 ~11618=8, 3.0/11618=7...(42) HB2 LYS 26 - HE2 LYS 36 poor 19 97 20 - 3.3-22.3 HB2 LYS 31 - HE2 LYS 36 poor 19 97 20 - 3.5-12.9 HB2 LYS 26 - HE3 LYS 36 poor 19 97 20 - 4.9-22.7 HB2 LYS 31 - HE3 LYS 36 poor 19 97 20 - 4.9-12.6 HB2 LYS 24 - HE3 LYS 26 poor 19 94 20 - 5.3-12.3 HB2 LYS 24 - HE2 LYS 19 poor 19 100 30 62 3.8-18.2 613=2, 305/2.9=2...(30) HB2 LYS 24 - HE3 LYS 19 poor 16 100 30 54 4.9-17.5 2.9/532=2, 305/2.9=2...(21) HB2 ARG 23 - HE2 LYS 24 far 15 99 15 - 6.2-11.2 HB2 ARG 23 - HE3 LYS 24 far 14 96 15 - 5.8-11.2 HB2 LYS 26 - HE2 LYS 24 far 10 100 10 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 10 100 10 - 4.9-20.2 HB2 LYS 19 - HE3 LYS 31 far 10 100 10 - 5.9-25.9 HB2 LYS 19 - HE2 LYS 31 far 10 98 10 - 5.2-25.0 HB2 ARG 23 - HE2 LYS 36 far 9 94 10 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 36 far 9 94 10 - 4.0-24.1 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 6.7-18.7 HB2 ARG 23 - HE3 LYS 31 far 5 99 5 - 5.7-20.0 HB2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.4-13.6 HB2 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.8-20.7 HB2 LYS 24 - HE2 LYS 31 far 5 98 5 - 6.9-18.8 HB2 LYS 19 - HE2 LYS 26 far 5 98 5 - 6.8-24.3 HB2 LYS 24 - HE2 LYS 36 far 5 97 5 - 1.9-26.5 HB2 LYS 24 - HE3 LYS 36 far 5 97 5 - 3.6-27.4 HB2 LYS 24 - HE2 LYS 26 lone 4 98 30 14 5.6-12.3 11151/9587=4, 834/3.6=2 HB2 ARG 23 - HE2 LYS 31 far 0 96 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 98 0 - 7.5-16.1 HB2 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.2-24.9 HB2 LYS 19 - HE3 LYS 36 far 0 97 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 81 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.9-16.3 HG13 ILE 129 - HE3 LYS 86 far 0 73 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 81 0 - 9.7-15.5 HG LEU 100 - HE3 LYS 31 far 0 60 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 83 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 559 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.36 A): 27 out of 73 assignments used, quality = 1.00: * HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.1 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-4.8 5.1=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.8-5.3 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.3-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.2 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.0-4.5 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 3.3-4.7 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.0-5.4 4.8=100 HB ILE 32 + HE2 LYS 36 OK 77 97 80 100 3.4-7.6 10833/3.0=26, ~10837=25...(57) HB ILE 32 + HE3 LYS 36 OK 72 97 75 99 2.0-7.9 2.1/10766=27...(56) HB ILE 32 + HE2 LYS 26 OK 55 98 60 93 4.8-19.8 2.1/10840=14, 10825=12...(60) HB ILE 32 + HE2 LYS 31 OK 54 98 60 91 4.3-9.5 10825=13, 3.2/10804=12...(60) HB2 LYS 86 + HE3 LYS 86 OK 53 53 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE3 LYS 26 OK 52 94 60 93 4.6-19.4 2.1/10766=14, 10825=12...(60) HB3 LYS 31 + HE2 LYS 26 OK 51 98 55 95 2.2-19.2 629/3.6=9, 640/3.6=6...(133) HB ILE 32 + HE3 LYS 31 OK 41 100 45 92 4.6-10.3 10825/1.8=11...(60) HB3 LYS 31 + HE3 LYS 26 OK 40 94 45 95 3.3-19.0 629/3.6=9, 640/3.6=6...(120) HB3 LYS 19 + HE3 LYS 24 OK 39 96 45 89 3.9-16.9 3.0/11770=4, 526/4.0=4...(120) HB2 LYS 36 + HE3 LYS 26 OK 32 94 45 76 2.6-28.9 1.8/1003=12, ~1004=9...(27) HB3 LYS 19 + HE2 LYS 24 OK 31 99 35 90 2.6-16.3 2634=4, 3.0/11770=4...(117) HB3 ARG 23 + HE2 LYS 26 OK 30 98 50 61 3.0-13.9 3.0/11618=11, ~11618=6...(41) HB3 ARG 23 + HE3 LYS 26 OK 28 93 50 60 2.6-15.2 ~11618=8, 3.0/11618=7...(42) HB2 LYS 36 + HE2 LYS 26 OK 28 98 35 81 2.4-29.4 1.8/1004=11, ~1004=9...(35) HB3 LYS 26 + HE3 LYS 31 OK 26 100 30 87 4.4-13.0 1019/3.7=6, 835/3.7=5...(94) HB3 LYS 26 + HE2 LYS 31 OK 25 98 30 87 3.9-12.8 1019/3.7=6, 835/3.7=5...(96) HB3 LYS 24 - HE2 LYS 19 poor 20 100 20 - 3.5-17.2 HB3 LYS 26 - HE2 LYS 36 poor 19 97 20 - 4.2-22.7 HB3 LYS 24 - HE3 LYS 26 poor 19 94 20 - 4.8-12.9 HB3 LYS 24 - HE3 LYS 19 poor 15 100 25 61 4.6-17.1 2.9/532=2, 815/3.8=1...(30) HB2 LYS 36 - HE3 LYS 31 far 15 100 15 - 5.6-14.2 HB2 LYS 36 - HE2 LYS 31 far 15 98 15 - 6.2-12.8 HB3 LYS 31 - HE3 LYS 36 far 15 97 15 - 4.9-14.1 HB3 LYS 31 - HE2 LYS 36 far 15 97 15 - 5.3-14.3 HB3 LYS 31 - HE2 LYS 24 far 10 100 10 - 6.0-19.3 HB3 ARG 23 - HE3 LYS 31 far 10 100 10 - 5.4-20.0 HB3 ARG 23 - HE2 LYS 36 far 10 96 10 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 36 far 10 96 10 - 4.4-24.0 HB3 LYS 26 - HE2 LYS 24 far 5 100 5 - 5.2-13.2 HB2 LYS 36 - HE2 LYS 24 far 5 100 5 - 6.1-29.9 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB3 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.6 HB3 LYS 31 - HE3 LYS 24 far 5 98 5 - 6.7-20.0 HB3 LYS 24 - HE2 LYS 36 far 5 97 5 - 3.5-25.9 HB3 ARG 23 - HE2 LYS 31 far 5 98 5 - 6.3-18.9 HB3 LYS 24 - HE3 LYS 36 far 5 97 5 - 5.2-26.7 HB3 LYS 19 - HE2 LYS 26 far 5 96 5 - 6.1-23.7 HB3 LYS 19 - HE2 LYS 31 far 5 96 5 - 6.5-26.1 HB3 LYS 26 - HE3 LYS 36 lone 4 97 25 17 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LYS 24 - HE2 LYS 26 lone 3 98 30 10 5.5-13.1 985/9587=1 HB2 CYS 79 - HE3 LYS 86 far 3 60 5 - 6.5-10.0 HB3 ARG 23 - HE3 LYS 24 far 0 98 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 100 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 100 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 99 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 98 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 92 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 98 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 71 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 63 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 71 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 69 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 72 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 95 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 76 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 560 from aliabs.peaks (1.38, 2.95, 41.80 ppm; 4.30 A): 10 out of 135 assignments used, quality = 1.00: * HG2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.3-3.2 3.8=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.1-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.0-3.5 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.6-4.2 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 95 95 100 100 2.4-4.2 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.1-4.1 3.6=100 HG2 LYS 19 - HE2 LYS 24 poor 20 99 20 - 2.9-18.6 QB ALA 28 - HE3 LYS 31 poor 20 99 20 - 4.1-9.8 QB ALA 29 - HE2 LYS 31 poor 20 98 20 - 4.3-10.0 QB ALA 29 - HE2 LYS 36 poor 19 97 20 - 5.2-11.0 HG2 LYS 19 - HE3 LYS 24 poor 19 97 20 - 3.9-19.3 QB ALA 28 - HE3 LYS 24 poor 19 96 20 - 5.3-13.7 HG3 LYS 31 - HE2 LYS 26 poor 19 95 20 - 4.3-18.5 HG3 LYS 31 - HE2 LYS 36 poor 19 94 20 - 4.3-14.3 QB ALA 16 - HE2 LYS 19 poor 18 91 20 - 4.4-10.6 QB ALA 21 - HE3 LYS 24 poor 16 54 30 - 3.2-11.7 QB ALA 29 - HE3 LYS 31 far 15 100 15 - 4.8-10.3 HG2 LYS 24 - HE2 LYS 19 far 15 100 15 - 4.3-16.8 QB ALA 15 - HE3 LYS 31 far 15 100 15 - 4.6-22.3 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 2.1-13.2 QB ALA 29 - HE2 LYS 26 far 15 98 15 - 4.1-12.1 HG2 LYS 36 - HE2 LYS 26 far 15 98 15 - 5.0-27.0 QB ALA 15 - HE2 LYS 31 far 15 97 15 - 3.9-23.1 HG3 LYS 26 - HE2 LYS 31 far 15 97 15 - 5.0-15.0 QB ALA 29 - HE3 LYS 36 far 15 97 15 - 5.3-11.4 HG3 LYS 26 - HE3 LYS 36 far 14 96 15 - 4.4-24.9 QB ALA 29 - HE3 LYS 26 far 14 94 15 - 4.0-12.1 HG3 LYS 31 - HE3 LYS 36 far 14 94 15 - 4.5-14.3 HG2 LYS 36 - HE3 LYS 26 far 14 93 15 - 5.1-26.6 QB ALA 16 - HE3 LYS 19 far 14 91 15 - 3.5-9.7 HG3 LYS 31 - HE3 LYS 26 far 13 90 15 - 4.8-18.3 QB ALA 21 - HE2 LYS 24 poor 11 57 20 - 3.6-10.6 HG2 LYS 24 - HE3 LYS 19 far 10 100 10 - 3.6-18.0 HG3 LYS 26 - HE3 LYS 31 far 10 100 10 - 5.8-14.5 QB ALA 28 - HE2 LYS 24 far 10 99 10 - 4.5-13.8 HB2 LEU 42 - HE3 LYS 36 far 10 97 10 - 5.0-13.1 HG3 LYS 26 - HE2 LYS 36 far 10 96 10 - 4.6-24.5 QB ALA 28 - HE2 LYS 31 poor 5 96 25 23 4.7-10.1 ~10771=14, 6334/7.1=4 QB ALA 15 - HE2 LYS 24 far 5 100 5 - 2.0-19.1 QB ALA 29 - HE2 LYS 24 far 5 100 5 - 5.6-13.5 HG2 LYS 36 - HE3 LYS 31 far 5 100 5 - 5.1-14.9 HG3 LYS 26 - HE2 LYS 24 far 5 100 5 - 5.0-12.3 HG3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.1-18.0 HG3 LYS 95 - HE2 LYS 24 far 5 98 5 - 5.2-35.1 QB ALA 28 - HE3 LYS 19 far 5 98 5 - 5.7-22.4 QB ALA 15 - HE3 LYS 24 far 5 97 5 - 2.0-19.1 HG2 LYS 36 - HE2 LYS 31 far 5 98 5 - 5.3-13.7 HG2 LYS 24 - HE2 LYS 36 far 5 97 5 - 4.2-26.3 HG3 LYS 26 - HE3 LYS 24 far 5 97 5 - 5.5-12.7 HG2 LYS 24 - HE3 LYS 36 far 5 97 5 - 5.7-27.3 QB ALA 110 - HE2 LYS 26 far 5 97 5 - 4.9-30.1 QB ALA 109 - HE3 LYS 19 far 5 96 5 - 4.7-41.8 QB ALA 109 - HE2 LYS 19 far 5 96 5 - 5.1-43.2 HG2 LYS 95 - HE2 LYS 24 far 5 96 5 - 5.7-34.8 HG3 LYS 95 - HE3 LYS 24 far 5 95 5 - 4.2-36.6 HG3 LYS 31 - HE3 LYS 24 far 5 95 5 - 5.2-18.7 HG2 LYS 24 - HE3 LYS 26 far 5 94 5 - 5.4-12.1 QB ALA 110 - HE3 LYS 26 far 5 92 5 - 4.0-28.9 QB ALA 16 - HE2 LYS 24 far 5 92 5 - 3.4-18.8 HG2 LYS 95 - HE3 LYS 24 far 5 92 5 - 4.3-36.3 QB ALA 16 - HE3 LYS 31 far 5 92 5 - 5.0-24.1 QB ALA 28 - HE3 LYS 26 far 5 91 5 - 5.4-9.7 QB ALA 16 - HE3 LYS 24 far 4 88 5 - 4.4-18.8 QB ALA 109 - HE3 LYS 26 far 4 88 5 - 5.3-26.1 QB ALA 16 - HE2 LYS 31 far 4 88 5 - 5.8-23.5 QB ALA 16 - HE3 LYS 36 far 4 86 5 - 5.5-25.6 QB ALA 12 - HE3 LYS 24 far 4 84 5 - 5.0-19.7 QB ALA 21 - HE3 LYS 19 far 3 56 5 - 5.2-9.3 QB ALA 12 - HE2 LYS 19 lone 0 88 35 2 4.2-15.0 QB ALA 12 - HE3 LYS 19 lone 0 88 25 2 4.2-15.1 QB ALA 108 - HE3 LYS 26 far 0 94 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 96 0 - 5.9-10.2 QB ALA 21 - HE3 LYS 36 far 0 52 0 - 6.0-25.4 QB ALA 108 - HE2 LYS 24 far 0 100 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 84 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 97 0 - 6.0-12.2 QB ALA 21 - HE3 LYS 31 far 0 57 0 - 6.2-19.6 QB ALA 12 - HE2 LYS 24 far 0 89 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 98 0 - 6.2-33.6 QB ALA 21 - HE2 LYS 19 far 0 56 0 - 6.2-9.5 QB ALA 29 - HE3 LYS 24 far 0 98 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 100 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 97 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 100 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 99 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 94 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 93 0 - 6.6-27.0 QB ALA 21 - HE2 LYS 36 far 0 52 0 - 6.7-24.7 HG3 LYS 31 - HE2 LYS 19 far 0 97 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 100 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 86 0 - 6.8-25.2 QB ALA 21 - HE2 LYS 31 far 0 54 0 - 6.8-19.4 QB ALA 28 - HE2 LYS 19 far 0 98 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 98 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 94 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 100 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 89 0 - 7.1-22.7 QB ALA 21 - HE2 LYS 26 far 0 54 0 - 7.1-15.9 QB ALA 108 - HE2 LYS 19 far 0 100 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 98 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 96 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 97 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 98 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 96 0 - 7.5-24.9 QB ALA 21 - HE3 LYS 26 far 0 49 0 - 7.8-15.0 HG2 LYS 36 - HE3 LYS 24 far 0 98 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 99 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 96 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 98 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 93 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 93 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 97 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 97 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 99 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 98 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 99 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 93 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 94 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 83 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 83 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 82 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 88 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 99 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 561 from aliabs.peaks (1.45, 2.95, 41.80 ppm; 4.56 A): 17 out of 59 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-3.9 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.1-4.2 3.7=100 HG3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-4.2 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.3-3.8 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 95 95 100 100 2.3-4.1 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 92 92 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 92 92 100 100 2.2-3.5 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 84 84 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 79 79 100 100 2.0-4.0 3.6=100 HG13 ILE 32 + HE2 LYS 36 OK 42 79 55 96 2.8-9.0 3.2/10766=18, ~10767=17...(64) HG3 LYS 86 + HE3 LYS 86 OK 38 38 100 100 3.3-3.7 3.7=100 HG13 ILE 32 + HE3 LYS 36 OK 38 79 50 96 3.2-9.5 3.2/10766=21...(64) HG13 ILE 32 + HE2 LYS 31 OK 35 81 55 80 2.3-9.1 2.1/10804=12...(26) HG13 ILE 32 + HE3 LYS 26 OK 34 75 55 82 2.0-17.3 3.2/10766=11, ~10767=10...(41) HG13 ILE 32 + HE2 LYS 26 OK 30 81 45 83 2.1-17.7 2.1/9008=11...(41) HG13 ILE 32 + HE3 LYS 31 OK 28 85 40 81 2.0-9.6 2.1/9008=10...(44) HG3 LYS 19 - HE2 LYS 24 poor 19 97 20 - 3.4-18.5 HG3 LYS 36 - HE2 LYS 26 poor 19 93 30 69 4.5-27.4 3.0/1004=7...(22) HG3 LYS 19 - HE3 LYS 24 poor 19 94 20 - 4.8-19.1 HG2 LYS 31 - HE3 LYS 26 poor 18 90 20 - 5.3-19.4 HG3 LYS 36 - HE3 LYS 26 poor 18 88 30 67 4.4-26.9 3.0/1003=7...(19) HG3 LYS 24 - HE2 LYS 19 poor 14 100 25 56 3.7-17.8 823/5.1=3, 822/6.4=2...(8) HG2 LYS 31 - HE2 LYS 36 far 14 94 15 - 4.9-14.4 HG3 LYS 24 - HE3 LYS 19 poor 14 100 25 56 4.5-18.1 823/5.1=3, 822/6.4=2...(9) HG2 LYS 26 - HE2 LYS 31 far 13 84 15 - 5.4-15.0 HG2 LYS 31 - HE2 LYS 26 far 9 95 10 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 36 far 9 94 10 - 5.4-14.2 HG3 LYS 36 - HE2 LYS 31 far 9 93 10 - 4.4-14.3 HG2 LYS 31 - HE2 LYS 24 far 5 98 5 - 3.3-18.4 HG3 LYS 24 - HE2 LYS 36 far 5 97 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 5 97 5 - 4.8-25.5 HG3 LYS 36 - HE3 LYS 31 far 5 97 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 5 97 5 - 4.6-28.4 HG2 LYS 31 - HE3 LYS 24 far 5 95 5 - 4.0-19.0 HG2 LYS 26 - HE2 LYS 24 far 4 89 5 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 31 far 4 89 5 - 6.0-14.4 HG2 LYS 26 - HE3 LYS 24 far 4 84 5 - 6.0-13.5 HG2 LYS 26 - HE2 LYS 36 lone 4 83 30 14 4.1-24.5 908/10766=1 HG2 LYS 26 - HE3 LYS 36 lone 2 83 25 11 3.8-24.9 908/10766=1 HG3 LYS 36 - HE3 LYS 24 far 0 93 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 94 0 - 6.5-13.4 HG3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.7-12.9 HG3 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.1-28.4 HG2 LYS 31 - HE3 LYS 19 far 0 97 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 94 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 85 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 97 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 94 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 100 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 84 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 84 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 56 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 81 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 89 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 93 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 96 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 83 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 562 from aliabs.peaks (1.66, 2.95, 41.80 ppm; 4.10 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.3-3.0 2.9=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.5-3.0 3.0=100 HD3 LYS 24 - HE3 LYS 19 poor 20 98 20 - 3.7-17.8 HD3 LYS 26 - HE2 LYS 36 poor 19 97 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 19 97 20 - 3.8-24.9 HD2 LYS 26 - HE3 LYS 36 poor 19 97 20 - 3.3-25.8 HD2 LYS 36 - HE3 LYS 26 poor 19 94 20 - 2.5-24.7 HD3 LYS 36 - HE3 LYS 26 poor 19 94 20 - 3.6-25.8 HD2 LYS 24 - HE3 LYS 19 far 15 100 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 15 100 15 - 5.2-19.0 HD2 LYS 36 - HE2 LYS 26 far 15 98 15 - 3.3-25.2 HD3 LYS 36 - HE2 LYS 26 far 15 98 15 - 4.7-26.1 HD2 LYS 26 - HE2 LYS 36 far 15 97 15 - 1.9-25.5 HD2 LYS 36 - HE3 LYS 31 far 10 100 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 100 10 - 4.6-14.9 HD2 LYS 19 - HE2 LYS 24 poor 10 97 35 29 2.6-17.0 3.9/2634=2, 3.0/531=1...(4) HD2 LYS 36 - HE2 LYS 31 far 10 98 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 98 10 - 4.3-13.8 HD3 LYS 26 - HE2 LYS 31 far 10 98 10 - 4.2-14.6 HD2 LYS 31 - HE2 LYS 36 far 10 96 10 - 4.6-13.1 HD2 LYS 19 - HE3 LYS 24 far 9 93 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 8 98 25 34 4.2-18.5 2631/5.1=2, 632/3.8=1, 307/3.8=1 HD3 LYS 19 - HE2 LYS 24 poor 8 95 30 28 2.7-18.2 3.9/2634=2, 3.0/531=1...(4) HD3 LYS 19 - HE3 LYS 24 poor 7 91 25 30 2.2-19.0 3.9/2634=2, 5.2/11770=2...(4) HD3 LYS 36 - HE3 LYS 31 far 5 100 5 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 100 5 - 4.7-18.8 HD2 LYS 26 - HE2 LYS 31 far 5 98 5 - 3.3-15.6 HD3 LYS 95 - HE3 LYS 24 far 5 98 5 - 5.3-36.2 HD3 LYS 31 - HE2 LYS 26 far 5 98 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.0-18.2 HD2 LYS 24 - HE2 LYS 36 far 5 97 5 - 5.2-24.7 HD3 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 36 far 5 97 5 - 5.3-12.3 HD3 LYS 31 - HE3 LYS 26 far 5 94 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 26 far 5 92 5 - 5.2-17.8 HD2 LYS 31 - HE3 LYS 36 far 0 96 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 94 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 92 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 91 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 99 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 97 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 100 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 93 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 92 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 96 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 97 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 100 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 92 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 91 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 88 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 97 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 94 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 81 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 100 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 72 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 94 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 46 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 95 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 99 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 98 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 99 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 92 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 89 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 51 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 81 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 83 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 97 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 98 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 81 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 88 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 96 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 91 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 92 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 93 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 93 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 89 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 89 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 83 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 88 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 87 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 81 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 82 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 85 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 77 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 563 from aliabs.peaks (1.65, 2.95, 41.80 ppm; 4.10 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 95 95 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 90 90 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 73 73 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.6-3.0 3.0=100 HD3 LYS 24 - HE3 LYS 19 poor 20 100 20 - 3.7-17.8 HD2 LYS 26 - HE3 LYS 36 poor 19 96 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 19 94 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 19 94 20 - 3.8-24.9 HD3 LYS 36 - HE3 LYS 26 poor 18 91 20 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 26 poor 18 90 20 - 2.5-24.7 HD2 LYS 24 - HE3 LYS 19 far 15 98 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 15 98 15 - 5.2-19.0 HD2 LYS 26 - HE2 LYS 36 far 14 96 15 - 1.9-25.5 HD3 LYS 36 - HE2 LYS 26 far 14 96 15 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 26 far 14 95 15 - 3.3-25.2 HD2 LYS 19 - HE2 LYS 24 poor 10 100 35 29 2.6-17.0 3.9/2634=2, 3.0/531=1...(4) HD2 LYS 36 - HE3 LYS 31 far 10 98 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 98 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 10 98 10 - 2.9-18.4 HD2 LYS 31 - HE2 LYS 36 far 10 97 10 - 4.6-13.1 HD3 LYS 36 - HE2 LYS 31 far 10 96 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 9 95 10 - 3.1-14.2 HD3 LYS 26 - HE2 LYS 31 far 9 95 10 - 4.2-14.6 HD3 LYS 24 - HE2 LYS 19 poor 9 100 25 35 4.2-18.5 2632/5.1=2, 307/3.8=1...(4) HD3 LYS 19 - HE2 LYS 24 poor 9 100 30 28 2.7-18.2 3.9/2634=2, 3.0/531=1...(4) HD3 LYS 19 - HE3 LYS 24 poor 7 97 25 30 2.2-19.0 3.9/2634=2, 5.2/11770=2...(4) HD3 LYS 31 - HE2 LYS 24 far 5 100 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 99 5 - 4.9-15.3 HD3 LYS 36 - HE3 LYS 31 far 5 99 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 26 far 5 97 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 24 far 5 97 5 - 5.0-18.2 HD2 LYS 26 - HE2 LYS 31 far 5 97 5 - 3.3-15.6 HD3 LYS 95 - HE3 LYS 24 far 5 97 5 - 5.3-36.2 HD3 LYS 31 - HE2 LYS 36 far 5 96 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 36 far 5 96 5 - 5.3-12.3 HD2 LYS 24 - HE2 LYS 36 far 5 94 5 - 5.2-24.7 HD2 LYS 31 - HE3 LYS 26 far 5 94 5 - 5.2-17.8 HD3 LYS 31 - HE3 LYS 26 far 5 93 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 97 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 98 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 99 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 99 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 96 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 99 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 94 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 91 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 93 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 99 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 67 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 99 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 97 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 60 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 95 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 100 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 97 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 95 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 64 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 93 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 64 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 100 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 96 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 63 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 96 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 96 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 98 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 98 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 96 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 97 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 94 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 94 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 68 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 63 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 92 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 89 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 564 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 97 97 - 100 HE2 LYS 26 + HE2 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE2 LYS 36 + HE2 LYS 36 OK 95 95 - 100 HE3 LYS 36 + HE3 LYS 36 OK 95 95 - 100 HE3 LYS 26 + HE3 LYS 26 OK 90 90 - 100 HE3 LYS 86 + HE3 LYS 86 OK 72 72 - 100 Peak 565 from aliabs.peaks (2.94, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 24 + HE2 LYS 24 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 99 99 - 100 HE3 LYS 24 + HE3 LYS 24 OK 98 98 - 100 HE2 LYS 19 + HE2 LYS 19 OK 97 97 - 100 HE3 LYS 19 + HE3 LYS 19 OK 97 97 - 100 HE2 LYS 31 + HE2 LYS 31 OK 92 92 - 100 HE2 LYS 26 + HE2 LYS 26 OK 92 92 - 100 HE2 LYS 36 + HE2 LYS 36 OK 89 89 - 100 HE3 LYS 36 + HE3 LYS 36 OK 89 89 - 100 HE3 LYS 26 + HE3 LYS 26 OK 82 82 - 100 HE3 LYS 86 + HE3 LYS 86 OK 69 69 - 100 Reference assignment not found: HE3 LYS 24 - HE2 LYS 24 Peak 569 from aliabs.peaks (1.74, 2.94, 41.80 ppm; 5.32 A): 20 out of 60 assignments used, quality = 1.00: * HB2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 3.1-5.1 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-4.5 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 1.8-4.7 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.8-5.0 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 94 94 100 100 3.2-5.1 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 87 87 100 100 2.0-4.9 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 77 77 100 100 2.6-5.5 4.8=100 HB ILE 80 + HE3 LYS 86 OK 55 62 90 100 2.3-7.3 ~11243=71, 3.2/11221=66...(24) HB2 LYS 39 + HE2 LYS 39 OK 50 50 100 100 3.0-4.6 4.9=100 HB2 LYS 39 + HE3 LYS 39 OK 50 50 100 100 3.7-4.5 4.9=100 HB2 LYS 31 + HE2 LYS 26 OK 45 87 55 95 3.2-17.5 639/3.6=8, 628/3.6=8...(148) HG3 ARG 90 + HE3 LYS 86 OK 42 63 70 96 4.2-9.7 11303/9660=72...(8) HB2 LYS 31 + HE3 LYS 26 OK 37 77 50 95 3.4-17.3 639/3.6=8, 628/3.6=8...(134) HB2 LYS 19 + HE3 LYS 24 OK 32 100 35 91 5.3-18.0 823/4.0=5, 1.8/2634=4...(116) HB2 LYS 26 + HE3 LYS 31 OK 29 98 35 86 4.2-12.2 823/3.7=7, 834/3.7=7...(97) HB2 ARG 23 + HE2 LYS 26 OK 28 83 55 61 3.9-14.3 3.0/11618=11, ~11618=6...(36) HB2 LYS 19 + HE2 LYS 24 OK 27 98 30 92 4.1-17.5 823/4.0=5, 1.8/2634=4...(131) HB2 LYS 26 + HE2 LYS 31 OK 22 87 30 85 4.4-12.8 823/3.7=7, 834/3.7=7...(97) HB2 ARG 23 + HE3 LYS 26 OK 20 74 45 60 3.3-14.8 ~11618=8, 3.0/11618=7...(36) HB2 LYS 26 - HE2 LYS 36 poor 17 84 20 - 3.3-22.3 HB2 LYS 31 - HE2 LYS 36 poor 17 84 20 - 3.5-12.9 HB2 LYS 26 - HE3 LYS 36 poor 17 84 20 - 4.9-22.7 HB2 LYS 24 - HE3 LYS 26 poor 15 77 20 - 5.3-12.3 HB2 LYS 24 - HE3 LYS 19 poor 15 94 30 53 4.9-17.5 2.9/532=2, 305/2.9=2...(21) HB2 ARG 23 - HE3 LYS 24 far 15 99 15 - 5.8-11.2 HB2 LYS 24 - HE2 LYS 19 poor 14 94 25 61 3.8-18.2 305/2.9=2, 514/3.8=2...(23) HB2 ARG 23 - HE2 LYS 24 far 14 96 15 - 6.2-11.2 HB2 LYS 31 - HE3 LYS 36 far 13 84 15 - 4.9-12.6 HB2 LYS 26 - HE2 LYS 24 far 10 98 10 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 10 98 10 - 4.9-20.2 HB2 LYS 19 - HE3 LYS 31 far 10 98 10 - 5.9-25.9 HB2 LYS 19 - HE2 LYS 31 far 9 87 10 - 5.2-25.0 HB2 ARG 23 - HE2 LYS 36 far 8 80 10 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 36 far 8 80 10 - 4.0-24.1 HB2 LYS 26 - HE3 LYS 24 far 5 100 5 - 4.4-13.6 HB2 LYS 31 - HE3 LYS 24 far 5 100 5 - 5.8-20.7 HB2 LYS 24 - HE3 LYS 31 far 5 98 5 - 6.7-18.7 HB2 ARG 23 - HE3 LYS 31 far 5 96 5 - 5.7-20.0 HB2 LYS 24 - HE2 LYS 36 far 4 84 5 - 1.9-26.5 HB2 LYS 24 - HE3 LYS 36 far 4 84 5 - 3.6-27.4 HB2 LYS 24 - HE2 LYS 26 lone 4 87 30 14 5.6-12.3 11151/9587=4, 834/3.6=2 HB ILE 80 - HE3 LYS 39 far 3 61 5 - 6.8-12.7 HB2 LYS 19 - HE2 LYS 26 far 0 87 0 - 6.8-24.3 HB ILE 80 - HE2 LYS 39 far 0 61 0 - 6.8-13.3 HB2 LYS 24 - HE2 LYS 31 far 0 87 0 - 6.9-18.8 HB2 ARG 23 - HE2 LYS 31 far 0 83 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 91 0 - 7.5-16.1 HB2 LYS 19 - HE3 LYS 26 far 0 77 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 94 0 - 8.2-24.9 HB2 LYS 19 - HE3 LYS 36 far 0 84 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 67 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 91 0 - 8.9-16.3 HG13 ILE 129 - HE3 LYS 86 far 0 66 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 67 0 - 9.7-15.5 HG LEU 100 - HE3 LYS 31 far 0 56 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 87 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 570 from aliabs.peaks (1.81, 2.94, 41.80 ppm; 5.22 A): 27 out of 78 assignments used, quality = 1.00: * HB3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.8-5.3 5.1=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.1 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-5.0 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.3-4.8 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 87 87 100 100 3.3-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 87 87 100 100 2.0-5.2 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 83 83 100 100 2.0-4.5 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 83 83 100 100 3.3-4.7 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 77 77 100 100 2.0-5.4 4.8=100 HB ILE 32 + HE2 LYS 36 OK 66 83 80 99 3.4-7.6 10833/3.0=25, ~10837=24...(57) HB ILE 32 + HE3 LYS 36 OK 62 83 75 99 2.0-7.9 2.1/10766=26...(56) HB2 LYS 86 + HE3 LYS 86 OK 47 47 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 26 OK 44 86 55 92 4.8-19.8 2.1/10766=13, ~10721=12...(60) HB ILE 32 + HE2 LYS 31 OK 43 86 55 90 4.3-9.5 10825=12, 3.2/10804=10...(60) HB ILE 32 + HE3 LYS 26 OK 42 77 60 91 4.6-19.4 2.1/10766=13, ~10840=12...(59) HB3 LYS 31 + HE2 LYS 26 OK 41 87 50 94 2.2-19.2 629/3.6=8, 640/3.6=6...(131) HB ILE 32 + HE3 LYS 31 OK 40 98 45 91 4.6-10.3 10825/1.8=10...(60) HB3 LYS 19 + HE3 LYS 24 OK 39 99 45 88 3.9-16.9 3.0/11770=4, 526/4.0=4...(115) HB3 LYS 31 + HE3 LYS 26 OK 32 77 45 94 3.3-19.0 629/3.6=8, 640/3.6=6...(116) HB3 LYS 19 + HE2 LYS 24 OK 30 96 35 89 2.6-16.3 2634=4, 526/4.0=4...(114) HB2 LYS 36 + HE3 LYS 26 OK 26 77 45 74 2.6-28.9 1.8/1003=10, ~1004=9...(26) HB3 ARG 23 + HE2 LYS 26 OK 25 86 50 59 3.0-13.9 3.0/11618=10, ~11618=5...(35) HB3 LYS 26 + HE3 LYS 31 OK 25 98 30 85 4.4-13.0 989/3.7=6, 835/3.7=5...(89) HB2 LYS 36 + HE2 LYS 26 OK 24 86 35 79 2.4-29.4 1.8/1004=10, ~1004=9...(35) HB3 ARG 23 + HE3 LYS 26 OK 22 76 50 58 2.6-15.2 ~11618=8, 3.0/11618=7...(37) HB3 LYS 26 + HE2 LYS 31 OK 22 87 30 85 3.9-12.8 989/3.7=6, 835/3.7=5...(88) HB3 LYS 24 - HE2 LYS 19 poor 19 94 20 - 3.5-17.2 HB3 LYS 24 - HE3 LYS 26 poor 15 77 20 - 4.8-12.9 HB2 LYS 36 - HE3 LYS 31 far 15 98 15 - 5.6-14.2 HB3 LYS 24 - HE3 LYS 19 poor 14 94 25 59 4.6-17.1 2.9/532=2, 815/3.8=1...(28) HB2 LYS 36 - HE2 LYS 31 far 13 86 15 - 6.2-12.8 HB3 LYS 26 - HE2 LYS 36 far 13 84 15 - 4.2-22.7 HB3 LYS 31 - HE2 LYS 36 far 13 84 15 - 5.3-14.3 HB3 ARG 23 - HE3 LYS 31 far 10 98 10 - 5.4-20.0 HB3 LYS 31 - HE3 LYS 36 far 8 84 10 - 4.9-14.1 HB3 ARG 23 - HE2 LYS 36 far 8 83 10 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 36 far 8 83 10 - 4.4-24.0 HB3 ARG 135 - HE3 LYS 39 far 6 65 10 - 5.7-12.6 HB3 LYS 26 - HE3 LYS 24 far 5 100 5 - 6.0-13.6 HB3 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.2-13.2 HB3 LYS 31 - HE2 LYS 24 far 5 98 5 - 6.0-19.3 HB2 LYS 36 - HE2 LYS 24 far 5 98 5 - 6.1-29.9 HB3 LYS 31 - HE2 LYS 19 far 5 94 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 19 far 5 94 5 - 6.2-27.1 HB3 ARG 23 - HE2 LYS 31 far 4 86 5 - 6.3-18.9 HB3 LYS 24 - HE2 LYS 36 far 4 84 5 - 3.5-25.9 HB3 LYS 19 - HE2 LYS 26 far 4 84 5 - 6.1-23.7 HB3 LYS 19 - HE2 LYS 31 far 4 84 5 - 6.5-26.1 HB3 LYS 24 - HE3 LYS 36 far 4 84 5 - 5.2-26.7 HB3 LYS 26 - HE3 LYS 36 lone 3 84 25 16 5.3-23.0 10898/10766=2, 10751/9008=1 HB3 ARG 135 - HE2 LYS 39 far 3 65 5 - 6.7-12.2 HB2 CYS 79 - HE3 LYS 39 far 3 53 5 - 4.5-12.6 HB2 CYS 79 - HE2 LYS 39 far 3 53 5 - 5.6-12.8 HB2 CYS 79 - HE3 LYS 86 far 3 53 5 - 6.5-10.0 HB3 LYS 24 - HE2 LYS 26 lone 2 87 25 10 5.5-13.1 985/9587=1 HB3 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.7-20.0 HB3 ARG 23 - HE3 LYS 24 far 0 100 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 98 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 98 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 100 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 74 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 87 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 94 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 64 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 56 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 93 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 100 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 55 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 94 0 - 8.7-23.7 HB2 LYS 86 - HE3 LYS 39 far 0 47 0 - 9.1-16.1 HB3 LEU 122 - HE3 LYS 24 far 0 73 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 93 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 65 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 81 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 64 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 571 from aliabs.peaks (1.38, 2.94, 41.80 ppm; 4.20 A): 10 out of 140 assignments used, quality = 1.00: * HG2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.1-4.2 4.0=100 HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-3.9 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.3-3.2 3.8=100 HG3 LYS 26 + HE2 LYS 26 OK 86 86 100 100 2.0-3.5 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 83 83 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 83 83 100 100 2.6-4.2 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 83 83 100 100 2.4-4.2 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 76 76 100 100 2.1-4.1 3.6=100 HG2 LYS 19 - HE3 LYS 24 poor 20 99 20 - 3.9-19.3 QB ALA 12 - HE3 LYS 19 poor 20 79 25 - 4.2-15.1 HG2 LYS 19 - HE2 LYS 24 poor 19 97 20 - 2.9-18.6 QB ALA 28 - HE3 LYS 31 poor 19 96 20 - 4.1-9.8 QB ALA 29 - HE2 LYS 36 poor 17 84 20 - 5.2-11.0 HG3 LYS 31 - HE2 LYS 36 poor 16 80 20 - 4.3-14.3 QB ALA 28 - HE3 LYS 24 far 15 99 15 - 5.3-13.7 QB ALA 15 - HE3 LYS 31 far 15 97 15 - 4.6-22.3 QB ALA 21 - HE3 LYS 24 poor 14 57 25 - 3.2-11.7 HG2 LYS 24 - HE2 LYS 19 far 14 94 15 - 4.3-16.8 QB ALA 15 - HE2 LYS 19 far 14 93 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 14 93 15 - 2.1-13.2 QB ALA 29 - HE2 LYS 26 far 13 87 15 - 4.1-12.1 QB ALA 29 - HE2 LYS 31 far 13 87 15 - 4.3-10.0 QB ALA 15 - HE2 LYS 31 far 13 86 15 - 3.9-23.1 HG3 LYS 26 - HE2 LYS 31 far 13 86 15 - 5.0-15.0 QB ALA 29 - HE3 LYS 36 far 13 84 15 - 5.3-11.4 HG3 LYS 31 - HE2 LYS 26 far 12 83 15 - 4.3-18.5 QB ALA 16 - HE3 LYS 19 far 12 82 15 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 12 82 15 - 4.4-10.6 HG3 LYS 31 - HE3 LYS 36 far 12 80 15 - 4.5-14.3 QB ALA 29 - HE3 LYS 26 far 12 77 15 - 4.0-12.1 HG2 LYS 36 - HE3 LYS 26 far 11 76 15 - 5.1-26.6 HG3 LYS 31 - HE3 LYS 26 far 11 73 15 - 4.8-18.3 QB ALA 21 - HE2 LYS 24 poor 11 54 20 - 3.6-10.6 QB ALA 29 - HE3 LYS 31 far 10 98 10 - 4.8-10.3 QB ALA 28 - HE2 LYS 24 far 10 96 10 - 4.5-13.8 HG2 LYS 24 - HE3 LYS 19 far 9 94 10 - 3.6-18.0 HG2 LYS 36 - HE2 LYS 26 far 9 86 10 - 5.0-27.0 HG3 LYS 26 - HE3 LYS 36 far 8 83 10 - 4.4-24.9 HG3 LYS 26 - HE2 LYS 36 far 8 83 10 - 4.6-24.5 QB ALA 15 - HE3 LYS 24 far 5 100 5 - 2.0-19.1 HG3 LYS 26 - HE3 LYS 24 far 5 100 5 - 5.5-12.7 HG3 LYS 95 - HE3 LYS 24 far 5 98 5 - 4.2-36.6 HG3 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.2-18.7 QB ALA 29 - HE2 LYS 24 far 5 98 5 - 5.6-13.5 QB ALA 15 - HE2 LYS 24 far 5 97 5 - 2.0-19.1 HG2 LYS 36 - HE3 LYS 31 far 5 98 5 - 5.1-14.9 HG3 LYS 26 - HE2 LYS 24 far 5 97 5 - 5.0-12.3 HG2 LYS 95 - HE3 LYS 24 far 5 96 5 - 4.3-36.3 HG3 LYS 31 - HE2 LYS 24 far 5 95 5 - 4.1-18.0 HG3 LYS 95 - HE2 LYS 24 far 5 95 5 - 5.2-35.1 QB ALA 16 - HE3 LYS 24 far 5 92 5 - 4.4-18.8 QB ALA 12 - HE3 LYS 24 far 4 89 5 - 5.0-19.7 QB ALA 16 - HE2 LYS 24 far 4 88 5 - 3.4-18.8 QB ALA 109 - HE3 LYS 19 far 4 88 5 - 4.7-41.8 QB ALA 109 - HE2 LYS 19 far 4 88 5 - 5.1-43.2 QB ALA 16 - HE3 LYS 31 far 4 88 5 - 5.0-24.1 HG2 LYS 36 - HE2 LYS 31 far 4 86 5 - 5.3-13.7 QB ALA 28 - HE2 LYS 31 poor 4 83 25 21 4.7-10.1 ~10771=13, 6334/7.1=4 QB ALA 110 - HE2 LYS 26 far 4 85 5 - 4.9-30.1 HG2 LYS 24 - HE2 LYS 36 far 4 84 5 - 4.2-26.3 HB2 LEU 42 - HE3 LYS 36 far 4 83 5 - 5.0-13.1 HG2 LYS 24 - HE3 LYS 26 far 4 77 5 - 5.4-12.1 QB ALA 110 - HE3 LYS 26 far 4 75 5 - 4.0-28.9 QB ALA 28 - HE3 LYS 26 far 4 74 5 - 5.4-9.7 QB ALA 16 - HE3 LYS 36 far 4 72 5 - 5.5-25.6 QB ALA 109 - HE3 LYS 26 far 4 71 5 - 5.3-26.1 QB ALA 21 - HE3 LYS 19 far 2 49 5 - 5.2-9.3 QB ALA 12 - HE2 LYS 19 lone 0 79 30 1 4.2-15.0 HG2 LYS 24 - HE3 LYS 36 far 0 84 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 92 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 91 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 75 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 77 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 87 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 83 0 - 5.9-10.2 QB ALA 21 - HE3 LYS 36 far 0 42 0 - 6.0-25.4 QB ALA 108 - HE2 LYS 24 far 0 98 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 71 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 83 0 - 6.0-12.2 QB ALA 21 - HE3 LYS 31 far 0 54 0 - 6.2-19.6 QB ALA 12 - HE2 LYS 24 far 0 84 0 - 6.2-19.2 HB2 LEU 42 - HE2 LYS 39 far 0 65 0 - 6.2-8.4 QB ALA 108 - HE3 LYS 24 far 0 100 0 - 6.2-33.6 QB ALA 21 - HE2 LYS 19 far 0 49 0 - 6.2-9.5 QB ALA 29 - HE3 LYS 24 far 0 100 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 90 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 98 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 97 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 80 0 - 6.6-15.3 HB2 LEU 42 - HE3 LYS 39 far 0 65 0 - 6.6-9.4 QB ALA 109 - HE2 LYS 26 far 0 80 0 - 6.6-27.0 QB ALA 21 - HE2 LYS 36 far 0 42 0 - 6.7-24.7 HG3 LYS 31 - HE2 LYS 19 far 0 90 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 72 0 - 6.8-25.2 QB ALA 21 - HE2 LYS 31 far 0 44 0 - 6.8-19.4 QB ALA 28 - HE2 LYS 19 far 0 91 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 86 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 80 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 94 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 84 0 - 7.1-22.7 QB ALA 21 - HE2 LYS 26 far 0 44 0 - 7.1-15.9 QB ALA 108 - HE2 LYS 19 far 0 94 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 85 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 86 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 83 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 93 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 87 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 83 0 - 7.5-24.9 QB ALA 21 - HE3 LYS 26 far 0 37 0 - 7.8-15.0 HG2 LYS 36 - HE3 LYS 24 far 0 100 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 92 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 82 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 94 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 85 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 86 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 97 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 76 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 86 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 93 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 93 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 92 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 86 0 - 9.0-18.7 QB ALA 21 - HE3 LYS 39 far 0 31 0 - 9.1-33.1 QB ALA 21 - HE2 LYS 39 far 0 31 0 - 9.1-32.6 HG2 LYS 24 - HE2 LYS 39 far 0 65 0 - 9.3-33.8 HG2 LYS 36 - HE3 LYS 19 far 0 93 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 97 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 94 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 80 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 77 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 69 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 69 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 65 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 75 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 97 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 572 from aliabs.peaks (1.45, 2.94, 41.80 ppm; 4.45 A): 17 out of 61 assignments used, quality = 1.00: * HG3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-4.2 4.0=100 HG3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-3.9 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.1-4.2 3.7=100 HG3 LYS 19 + HE2 LYS 19 OK 89 89 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 89 89 100 100 2.3-3.8 3.8=100 HG2 LYS 31 + HE2 LYS 31 OK 83 83 100 100 2.3-4.1 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 77 77 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 77 77 100 100 2.2-3.5 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 71 71 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 62 62 100 100 2.0-4.0 3.6=100 HG13 ILE 32 + HE2 LYS 36 OK 34 65 55 95 2.8-9.0 3.2/10766=17, ~10767=16...(63) HG3 LYS 86 + HE3 LYS 86 OK 34 34 100 100 3.3-3.7 3.7=100 HG13 ILE 32 + HE3 LYS 36 OK 31 65 50 95 3.2-9.5 3.2/10766=19, ~10767=16...(63) HG13 ILE 32 + HE2 LYS 31 OK 29 68 55 78 2.3-9.1 2.1/10804=10...(25) HG13 ILE 32 + HE3 LYS 31 OK 26 81 40 80 2.0-9.6 2.1/9008=9, 10757/6.5=9...(43) HG13 ILE 32 + HE2 LYS 26 OK 25 68 45 81 2.1-17.7 2.1/9008=10...(38) HG13 ILE 32 + HE3 LYS 26 OK 24 59 50 80 2.0-17.3 ~10767=10, 3.2/10766=10...(38) HG3 LYS 19 - HE2 LYS 24 poor 19 94 20 - 3.4-18.5 HG2 LYS 26 - HE2 LYS 36 poor 17 69 25 - 4.1-24.5 HG3 LYS 19 - HE3 LYS 24 far 15 97 15 - 4.8-19.1 HG2 LYS 26 - HE3 LYS 36 poor 14 69 20 - 3.8-24.9 HG3 LYS 36 - HE3 LYS 26 poor 14 71 30 64 4.4-26.9 3.0/1004=6, ~1004=5...(19) HG3 LYS 36 - HE2 LYS 26 poor 13 80 25 67 4.5-27.4 3.0/1004=6, ~1004=5...(22) HG3 LYS 24 - HE2 LYS 19 poor 13 94 25 54 3.7-17.8 823/5.1=3, 822/6.4=2...(8) HG3 LYS 24 - HE3 LYS 19 poor 13 94 25 54 4.5-18.1 823/5.1=3, 822/6.4=2...(8) HG2 LYS 31 - HE2 LYS 36 far 12 80 15 - 4.9-14.4 HG2 LYS 31 - HE3 LYS 26 far 11 73 15 - 5.3-19.4 HG2 LYS 31 - HE2 LYS 26 far 8 83 10 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 36 far 8 80 10 - 5.4-14.2 HG2 LYS 31 - HE3 LYS 24 far 5 98 5 - 4.0-19.0 HG2 LYS 31 - HE2 LYS 24 far 5 95 5 - 3.3-18.4 HG3 LYS 36 - HE3 LYS 31 far 5 93 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 5 93 5 - 4.6-28.4 HG2 LYS 26 - HE2 LYS 24 far 4 84 5 - 5.9-13.2 HG3 LYS 24 - HE2 LYS 36 far 4 84 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 4 84 5 - 4.8-25.5 HG3 LYS 36 - HE2 LYS 31 far 4 80 5 - 4.4-14.3 HG2 LYS 26 - HE2 LYS 31 far 4 71 5 - 5.4-15.0 HG2 LYS 26 - HE3 LYS 24 far 0 89 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 84 0 - 6.0-14.4 HG3 LYS 36 - HE3 LYS 24 far 0 97 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 77 0 - 6.5-13.4 HG3 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.7-12.9 HG3 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.1-28.4 HG2 LYS 31 - HE3 LYS 19 far 0 90 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 82 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 81 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 90 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 82 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 98 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 75 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 87 0 - 8.5-17.7 HG3 LYS 86 - HE3 LYS 39 far 0 34 0 - 8.6-16.4 HG13 ILE 32 - HE2 LYS 19 far 0 75 0 - 8.6-27.3 HG3 LYS 86 - HE2 LYS 39 far 0 34 0 - 8.8-17.3 QB ALA 92 - HE3 LYS 86 far 0 51 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 85 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 72 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 78 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 88 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 87 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 573 from aliabs.peaks (1.66, 2.94, 41.80 ppm; 4.00 A): 25 out of 131 assignments used, quality = 1.00: * HD2 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 88 88 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 88 88 100 100 2.4-3.0 2.9=100 HD3 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 85 85 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 85 85 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HE2 LYS 31 OK 85 85 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 77 77 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 77 77 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 64 64 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 62 62 100 100 2.5-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 50 50 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HE3 LYS 39 OK 50 50 100 100 2.4-3.0 2.9=100 HG LEU 43 + HE2 LYS 39 OK 29 50 60 97 3.9-6.2 10572/10577=50...(19) HG LEU 43 - HE3 LYS 39 poor 19 50 40 93 4.3-7.5 2.1/9120=34, ~9120=30...(17) HD3 LYS 26 - HE2 LYS 36 poor 17 84 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 17 84 20 - 3.8-24.9 HD2 LYS 26 - HE3 LYS 36 poor 17 84 20 - 3.3-25.8 HD2 LYS 36 - HE3 LYS 26 poor 15 77 20 - 2.5-24.7 HD3 LYS 36 - HE3 LYS 26 poor 15 77 20 - 3.6-25.8 HD2 LYS 24 - HE3 LYS 19 far 14 94 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 14 94 15 - 5.2-19.0 HD3 LYS 24 - HE3 LYS 19 far 14 91 15 - 3.7-17.8 HD2 LYS 36 - HE2 LYS 26 far 13 87 15 - 3.3-25.2 HD3 LYS 36 - HE2 LYS 26 far 13 87 15 - 4.7-26.1 HD2 LYS 36 - HE3 LYS 31 far 10 98 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 98 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 10 97 10 - 2.9-18.4 HD2 LYS 36 - HE2 LYS 31 far 9 87 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 9 87 10 - 4.3-13.8 HD2 LYS 26 - HE2 LYS 36 far 8 84 10 - 1.9-25.5 HD2 LYS 31 - HE2 LYS 36 far 8 82 10 - 4.6-13.1 HD2 LYS 19 - HE2 LYS 24 poor 8 93 30 27 2.6-17.0 3.9/2634=2, 3.0/531=1...(4) HD3 LYS 24 - HE2 LYS 19 poor 7 91 25 32 4.2-18.5 2631/5.1=1, 632/3.8=1 HD3 LYS 19 - HE3 LYS 24 poor 7 95 25 28 2.2-19.0 3.9/2634=2, 5.2/11770=1, ~531=1 HD3 LYS 19 - HE2 LYS 24 poor 6 91 25 27 2.7-18.2 3.9/2634=2, 3.0/531=1...(4) HD3 LYS 31 - HE3 LYS 24 far 5 100 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 5 100 5 - 5.3-36.2 HD3 LYS 36 - HE3 LYS 31 far 5 98 5 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 5 98 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.7-18.8 HD2 LYS 26 - HE2 LYS 31 far 4 87 5 - 3.3-15.6 HD3 LYS 26 - HE2 LYS 31 far 4 87 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 26 far 4 86 5 - 4.6-18.1 HD2 LYS 24 - HE2 LYS 36 far 4 84 5 - 5.2-24.7 HD3 LYS 31 - HE2 LYS 36 far 4 83 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 36 far 4 83 5 - 5.3-12.3 HD3 LYS 31 - HE3 LYS 26 far 4 77 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 26 far 4 75 5 - 5.2-17.8 HD2 LYS 31 - HE3 LYS 36 far 0 82 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 80 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 77 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 74 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 97 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 85 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 80 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 77 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 99 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 99 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 83 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 98 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 88 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 78 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 92 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 84 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 77 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 67 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 98 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 65 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 80 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 41 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 96 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 100 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 96 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 94 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 77 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 100 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 75 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 94 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 46 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 67 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 87 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 93 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 100 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 92 0 - 8.6-25.1 HD3 LYS 24 - HE2 LYS 39 far 0 62 0 - 8.6-34.0 HD2 LYS 39 - HE3 LYS 36 far 0 67 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 87 0 - 8.7-18.2 HD3 LYS 36 - HE2 LYS 39 far 0 65 0 - 8.7-18.2 HD2 LYS 86 - HE3 LYS 39 far 0 64 0 - 8.8-17.8 HB2 LEU 98 - HE2 LYS 26 far 0 75 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 83 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 92 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 78 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 77 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 80 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 80 0 - 9.4-18.0 HD2 LYS 86 - HE2 LYS 39 far 0 64 0 - 9.4-18.7 HG LEU 62 - HE3 LYS 19 far 0 81 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 75 0 - 9.4-33.8 HG3 ARG 84 - HE3 LYS 39 far 0 46 0 - 9.6-18.3 HD2 LYS 36 - HE2 LYS 39 far 0 65 0 - 9.6-17.1 HD3 LYS 26 - HE3 LYS 19 far 0 94 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 70 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 71 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 83 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 67 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 65 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 68 0 - 9.8-25.6 QB ALA 88 - HE3 LYS 39 far 0 65 0 - 9.8-15.4 HG LEU 43 - HE3 LYS 26 far 0 61 0 - 9.9-30.6 HD3 LYS 24 - HE3 LYS 39 far 0 62 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 574 from aliabs.peaks (1.65, 2.94, 41.80 ppm; 4.00 A): 26 out of 131 assignments used, quality = 1.00: * HD3 LYS 24 + HE3 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HE2 LYS 31 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 86 86 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 85 85 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 83 83 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 75 75 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 73 73 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 66 66 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 65 65 100 100 2.6-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 37 37 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HE3 LYS 39 OK 37 37 100 100 2.4-3.0 2.9=100 HG LEU 43 + HE2 LYS 39 OK 35 61 60 97 3.9-6.2 10572/10577=50...(19) HG LEU 43 + HE3 LYS 39 OK 23 61 40 94 4.3-7.5 2.1/9120=34, ~9120=30...(17) HD2 LYS 26 - HE3 LYS 36 poor 16 82 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 16 80 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 16 80 20 - 3.8-24.9 HD3 LYS 36 - HE3 LYS 26 poor 15 74 20 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 26 poor 15 73 20 - 2.5-24.7 HD3 LYS 24 - HE3 LYS 19 far 14 94 15 - 3.7-17.8 HD2 LYS 24 - HE3 LYS 19 far 14 91 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 14 91 15 - 5.2-19.0 HD3 LYS 36 - HE2 LYS 26 far 13 83 15 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 26 far 12 83 15 - 3.3-25.2 HD2 LYS 19 - HE3 LYS 24 far 10 100 10 - 2.9-18.4 HD2 LYS 36 - HE3 LYS 31 far 9 95 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 9 95 10 - 4.6-14.9 HD2 LYS 31 - HE2 LYS 36 far 8 84 10 - 4.6-13.1 HD3 LYS 36 - HE2 LYS 31 far 8 83 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 8 83 10 - 3.1-14.2 HD2 LYS 26 - HE2 LYS 36 far 8 82 10 - 1.9-25.5 HD2 LYS 19 - HE2 LYS 24 poor 8 98 30 28 2.6-17.0 3.9/2634=2, 3.0/531=1...(4) HD3 LYS 24 - HE2 LYS 19 poor 8 94 25 32 4.2-18.5 2632/5.1=1, 307/3.8=1...(4) HD3 LYS 19 - HE3 LYS 24 poor 7 100 25 29 2.2-19.0 3.9/2634=2, 5.2/11770=1, ~531=1 HD3 LYS 19 - HE2 LYS 24 poor 7 97 25 27 2.7-18.2 3.9/2634=2, 3.0/531=1...(4) HD3 LYS 31 - HE3 LYS 24 far 5 100 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 5 99 5 - 5.3-36.2 HD3 LYS 31 - HE2 LYS 24 far 5 97 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 97 5 - 4.9-15.3 HD3 LYS 36 - HE3 LYS 31 far 5 96 5 - 4.8-13.8 HD3 LYS 31 - HE2 LYS 26 far 4 86 5 - 4.6-18.1 HD2 LYS 26 - HE2 LYS 31 far 4 85 5 - 3.3-15.6 HD3 LYS 26 - HE2 LYS 31 far 4 83 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 36 far 4 83 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 36 far 4 83 5 - 5.3-12.3 HD2 LYS 24 - HE2 LYS 36 far 4 80 5 - 5.2-24.7 HD2 LYS 31 - HE3 LYS 26 far 4 77 5 - 5.2-17.8 HD3 LYS 31 - HE3 LYS 26 far 4 76 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 36 far 0 84 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 84 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 83 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 77 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 87 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 95 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 86 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 83 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 100 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 100 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 87 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 97 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 96 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 86 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 83 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 99 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 80 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 74 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 78 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 96 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 61 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 95 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 96 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 84 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 53 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 98 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 98 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 98 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 99 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 93 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 83 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 83 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 93 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 57 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 78 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 68 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 98 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 99 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 94 0 - 8.6-25.1 HD3 LYS 24 - HE2 LYS 39 far 0 65 0 - 8.6-34.0 HD2 LYS 39 - HE3 LYS 36 far 0 50 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 83 0 - 8.7-18.2 HD3 LYS 36 - HE2 LYS 39 far 0 62 0 - 8.7-18.2 HD2 LYS 86 - HE3 LYS 39 far 0 65 0 - 8.8-17.8 HB2 LEU 98 - HE2 LYS 26 far 0 84 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 87 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 94 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 86 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 83 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 86 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 86 0 - 9.4-18.0 HD2 LYS 86 - HE2 LYS 39 far 0 65 0 - 9.4-18.7 HG LEU 62 - HE3 LYS 19 far 0 91 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 83 0 - 9.4-33.8 HG3 ARG 84 - HE3 LYS 39 far 0 57 0 - 9.6-18.3 HD2 LYS 36 - HE2 LYS 39 far 0 61 0 - 9.6-17.1 HD3 LYS 26 - HE3 LYS 19 far 0 90 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 82 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 77 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 64 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 50 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 74 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 76 0 - 9.8-25.6 QB ALA 88 - HE3 LYS 39 far 0 61 0 - 9.8-15.4 HG LEU 43 - HE3 LYS 26 far 0 72 0 - 9.9-30.6 HD3 LYS 24 - HE3 LYS 39 far 0 65 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 575 from aliabs.peaks (2.95, 2.94, 41.80 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: HE3 LYS 24 + HE3 LYS 24 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 98 98 - 100 HE2 LYS 24 + HE2 LYS 24 OK 98 98 - 100 HE2 LYS 19 + HE2 LYS 19 OK 94 94 - 100 HE3 LYS 19 + HE3 LYS 19 OK 94 94 - 100 HE2 LYS 31 + HE2 LYS 31 OK 85 85 - 100 HE2 LYS 26 + HE2 LYS 26 OK 85 85 - 100 HE3 LYS 36 + HE3 LYS 36 OK 81 81 - 100 HE2 LYS 36 + HE2 LYS 36 OK 81 81 - 100 HE3 LYS 26 + HE3 LYS 26 OK 73 73 - 100 HE3 LYS 86 + HE3 LYS 86 OK 65 65 - 100 HE3 LYS 39 + HE3 LYS 39 OK 41 41 - 100 HE2 LYS 39 + HE2 LYS 39 OK 41 41 - 100 Reference assignment not found: HE2 LYS 24 - HE3 LYS 24 Peak 576 from aliabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: * HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 97 97 - 100 HE2 LYS 24 + HE2 LYS 24 OK 97 97 - 100 HE2 LYS 19 + HE2 LYS 19 OK 90 90 - 100 HE3 LYS 19 + HE3 LYS 19 OK 90 90 - 100 HE2 LYS 31 + HE2 LYS 31 OK 79 79 - 100 HE2 LYS 26 + HE2 LYS 26 OK 79 79 - 100 HE3 LYS 36 + HE3 LYS 36 OK 75 75 - 100 HE2 LYS 36 + HE2 LYS 36 OK 75 75 - 100 HE3 LYS 26 + HE3 LYS 26 OK 65 65 - 100 HE3 LYS 86 + HE3 LYS 86 OK 62 62 - 100 HE3 LYS 39 + HE3 LYS 39 OK 50 50 - 100 HE2 LYS 39 + HE2 LYS 39 OK 50 50 - 100 Peak 579 from aliabs.peaks (4.29, 4.29, 61.45 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA THR 25 + HA THR 25 OK 100 100 - 100 HA SER 74 + HA SER 74 OK 99 99 - 100 HA THR 18 + HA THR 18 OK 73 73 - 100 HA PHE 87 + HA PHE 87 OK 20 20 - 100 Peak 580 from aliabs.peaks (4.19, 4.29, 61.45 ppm; 2.62 A): 2 out of 18 assignments used, quality = 0.99: * HB THR 25 + HA THR 25 OK 96 100 100 96 2.4-2.9 3.0=66, 2.1/581=44...(13) HB THR 18 + HA THR 18 OK 68 74 100 93 2.9-3.0 3.0=66, 6140/3.0=35...(12) HA GLU 30 - HA SER 74 far 3 66 5 - 3.8-22.9 HB3 SER 38 - HA THR 18 far 2 45 5 - 3.9-37.3 HA ALA 88 - HA PHE 87 far 0 23 0 - 4.7-4.7 HA SER 51 - HA THR 25 far 0 63 0 - 5.0-29.5 HA GLU 30 - HA THR 18 far 0 45 0 - 6.2-25.4 HA VAL 105 - HA THR 25 far 0 96 0 - 6.3-31.7 HA GLU 30 - HA THR 25 far 0 68 0 - 6.7-12.7 HB3 SER 38 - HA THR 25 far 0 68 0 - 7.1-27.2 HB THR 18 - HA THR 25 far 0 99 0 - 7.1-20.0 HA SER 51 - HA THR 18 far 0 41 0 - 7.8-36.6 HB THR 25 - HA THR 18 far 0 77 0 - 8.0-18.8 HA ALA 34 - HA THR 18 far 0 47 0 - 8.2-32.8 HA ALA 34 - HA SER 74 far 0 69 0 - 8.4-15.6 HA ALA 34 - HA THR 25 far 0 71 0 - 8.7-21.5 HA LEU 53 - HA THR 25 far 0 97 0 - 8.9-24.9 HA HIS 67 - HA SER 74 far 0 85 0 - 9.8-10.8 Violated in 1 structures by 0.00 A. Peak 581 from aliabs.peaks (1.18, 4.29, 61.45 ppm; 2.72 A): 2 out of 13 assignments used, quality = 0.98: * QG2 THR 25 + HA THR 25 OK 94 100 100 94 2.1-3.0 3.2=61, 6242/3.0=40...(9) QG2 THR 18 + HA THR 18 OK 63 70 100 91 2.0-2.9 3.2=61, 6141/3.0=35...(10) QG2 VAL 77 - HA SER 74 poor 19 96 20 - 3.5-6.0 HG12 ILE 32 - HA THR 25 far 8 76 10 - 2.3-14.1 QB ALA 41 - HA THR 25 far 5 100 5 - 3.3-21.4 QG2 VAL 77 - HA PHE 87 far 3 27 10 - 4.2-6.0 QG2 THR 18 - HA THR 25 far 0 96 0 - 5.6-16.2 QB ALA 41 - HA THR 18 far 0 77 0 - 5.7-28.5 HG12 ILE 32 - HA SER 74 far 0 74 0 - 6.4-19.2 HG12 ILE 32 - HA THR 18 far 0 51 0 - 6.8-25.1 QG2 THR 25 - HA THR 18 far 0 77 0 - 7.1-15.4 HG3 LYS 39 - HA THR 18 far 0 64 0 - 8.6-40.0 HG3 LYS 39 - HA THR 25 far 0 90 0 - 9.4-30.5 Violated in 0 structures by 0.00 A. Peak 584 from aliabs.peaks (4.29, 4.19, 69.70 ppm; 3.99 A): 4 out of 33 assignments used, quality = 1.00: * HA THR 25 + HB THR 25 OK 100 100 100 100 2.4-2.9 3.0=100 HA THR 18 + HB THR 18 OK 86 86 100 100 2.9-3.0 3.0=100 HA LYS 26 + HB THR 25 OK 76 78 100 97 3.9-5.5 2.9/6247=75, ~6248=39...(17) HA LYS 19 + HB THR 18 OK 70 71 100 99 4.0-5.1 3.0/6146=69, ~226=29...(20) HA ALA 15 - HB THR 18 poor 17 84 20 - 3.5-10.3 HA ARG 23 - HB THR 25 far 14 96 15 - 4.0-9.0 HA ALA 16 - HB THR 18 poor 6 80 35 22 4.8-8.7 6139/6140=13, 3.6/231=6...(4) HA ALA 21 - HB THR 25 far 5 100 5 - 4.8-13.5 HA GLN 61 - HB THR 25 far 5 97 5 - 1.9-26.7 HA ALA 108 - HB THR 25 far 5 95 5 - 4.7-32.8 HA LYS 19 - HB THR 25 far 4 85 5 - 4.3-18.9 HA LYS 31 - HB THR 18 far 3 69 5 - 5.3-27.2 HA ALA 12 - HB THR 18 lone 2 89 40 5 3.6-16.0 2.1/10670=1, ~10686=1 HA LEU 22 - HB THR 25 far 0 71 0 - 5.5-11.5 HA LYS 36 - HB THR 18 far 0 88 0 - 5.6-37.9 HA ALA 21 - HB THR 18 far 0 89 0 - 5.7-9.4 HA ARG 23 - HB THR 18 far 0 83 0 - 5.9-14.4 HA LYS 31 - HB THR 25 far 0 83 0 - 6.1-16.1 HA ALA 110 - HB THR 18 far 0 88 0 - 6.2-55.3 HA TYR 76 - HB THR 18 far 0 75 0 - 6.4-37.0 HA ALA 109 - HB THR 18 far 0 81 0 - 6.5-54.1 HA ALA 15 - HB THR 25 far 0 97 0 - 6.6-24.3 HA ALA 12 - HB THR 25 far 0 100 0 - 6.9-24.9 HA GLN 61 - HB THR 18 far 0 84 0 - 6.9-34.8 HA LEU 22 - HB THR 18 far 0 58 0 - 7.0-12.5 HA THR 25 - HB THR 18 far 0 90 0 - 7.1-20.0 HA LYS 36 - HB THR 25 far 0 99 0 - 7.3-28.2 HA ALA 109 - HB THR 25 far 0 95 0 - 7.7-35.1 HA THR 18 - HB THR 25 far 0 98 0 - 8.0-18.8 HA ALA 110 - HB THR 25 far 0 99 0 - 8.6-36.6 HA ALA 16 - HB THR 25 far 0 93 0 - 8.8-22.8 HA LYS 26 - HB THR 18 far 0 65 0 - 9.0-20.6 HA ALA 108 - HB THR 18 far 0 81 0 - 9.3-51.9 Violated in 0 structures by 0.00 A. Peak 585 from aliabs.peaks (4.19, 4.19, 69.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB THR 25 + HB THR 25 OK 100 100 - 100 HB THR 18 + HB THR 18 OK 87 87 - 100 Peak 586 from aliabs.peaks (1.18, 4.19, 69.70 ppm; 3.02 A): 2 out of 8 assignments used, quality = 1.00: * QG2 THR 25 + HB THR 25 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 18 + HB THR 18 OK 83 83 100 100 2.1-2.1 2.1=100 HG12 ILE 32 - HB THR 25 far 8 76 10 - 4.3-16.3 QB ALA 41 - HB THR 25 far 0 100 0 - 5.3-22.6 QG2 THR 18 - HB THR 25 far 0 96 0 - 5.4-17.5 QG2 THR 25 - HB THR 18 far 0 90 0 - 6.0-17.6 QB ALA 41 - HB THR 18 far 0 90 0 - 7.9-29.5 HG12 ILE 32 - HB THR 18 far 0 63 0 - 8.7-26.1 Violated in 0 structures by 0.00 A. Peak 589 from aliabs.peaks (4.29, 1.18, 21.28 ppm; 3.39 A): 4 out of 33 assignments used, quality = 1.00: * HA THR 25 + QG2 THR 25 OK 100 100 100 100 2.1-3.0 3.2=100 HA THR 18 + QG2 THR 18 OK 82 82 100 100 2.0-2.9 3.2=100 HA LYS 19 + QG2 THR 18 OK 62 67 100 92 2.8-4.4 3.0/6147=32...(17) HA LYS 26 + QG2 THR 25 OK 22 78 30 92 2.9-5.6 2.9/6248=53, ~6247=27...(17) HA ARG 23 - QG2 THR 25 poor 19 96 20 - 3.2-6.8 HA ALA 15 - QG2 THR 18 poor 16 80 20 - 3.7-10.5 HA ALA 21 - QG2 THR 25 far 5 100 5 - 2.1-11.4 HA ALA 12 - QG2 THR 25 far 5 100 5 - 4.7-20.5 HA LYS 36 - QG2 THR 25 far 5 99 5 - 4.7-22.7 HA GLN 61 - QG2 THR 25 far 5 97 5 - 2.0-22.8 HA ALA 15 - QG2 THR 25 far 5 97 5 - 3.7-20.6 HA ALA 108 - QG2 THR 25 far 5 95 5 - 3.7-27.9 HA LYS 19 - QG2 THR 25 far 4 85 5 - 4.6-15.1 HA LYS 31 - QG2 THR 25 far 4 83 5 - 3.7-12.0 HA LEU 22 - QG2 THR 25 far 4 71 5 - 3.3-9.5 HA LYS 31 - QG2 THR 18 far 3 65 5 - 3.6-23.3 HA ALA 12 - QG2 THR 18 lone 1 85 40 4 3.7-14.2 HA GLN 61 - QG2 THR 18 far 0 80 0 - 5.0-28.0 HA LYS 36 - QG2 THR 18 far 0 85 0 - 5.2-32.6 HA TYR 76 - QG2 THR 18 far 0 71 0 - 5.4-31.7 HA ALA 16 - QG2 THR 18 far 0 76 0 - 5.5-8.6 HA ALA 110 - QG2 THR 18 far 0 85 0 - 5.6-45.3 HA THR 25 - QG2 THR 18 far 0 87 0 - 5.6-16.2 HA ARG 23 - QG2 THR 18 far 0 79 0 - 5.6-11.8 HA LEU 22 - QG2 THR 18 far 0 55 0 - 5.7-9.8 HA ALA 21 - QG2 THR 18 far 0 85 0 - 5.7-7.7 HA ALA 16 - QG2 THR 25 far 0 93 0 - 6.4-18.9 HA ALA 109 - QG2 THR 25 far 0 95 0 - 6.8-29.8 HA ALA 109 - QG2 THR 18 far 0 78 0 - 6.9-44.2 HA THR 18 - QG2 THR 25 far 0 98 0 - 7.1-15.4 HA LYS 26 - QG2 THR 18 far 0 61 0 - 7.1-17.1 HA ALA 110 - QG2 THR 25 far 0 99 0 - 8.5-31.3 HA ALA 108 - QG2 THR 18 far 0 78 0 - 8.6-42.6 Violated in 0 structures by 0.00 A. Peak 590 from aliabs.peaks (4.19, 1.18, 21.28 ppm; 2.78 A): 2 out of 16 assignments used, quality = 1.00: * HB THR 25 + QG2 THR 25 OK 100 100 100 100 2.1-2.1 2.1=100 HB THR 18 + QG2 THR 18 OK 83 83 100 100 2.1-2.1 2.1=100 HA GLU 30 - QG2 THR 25 far 3 68 5 - 4.2-12.2 HB THR 25 - QG2 THR 18 far 0 87 0 - 5.4-17.5 HB3 SER 38 - QG2 THR 18 far 0 53 0 - 5.9-33.1 HA SER 51 - QG2 THR 25 far 0 63 0 - 5.9-24.9 HB THR 18 - QG2 THR 25 far 0 99 0 - 6.0-17.6 HA GLU 30 - QG2 THR 18 far 0 53 0 - 6.1-22.4 HB3 SER 38 - QG2 THR 25 far 0 68 0 - 6.5-23.1 HA VAL 105 - QG2 THR 25 far 0 96 0 - 7.1-26.2 HA SER 51 - QG2 THR 18 far 0 48 0 - 7.2-33.3 HA LEU 53 - QG2 THR 25 far 0 97 0 - 7.6-21.9 HA ALA 34 - QG2 THR 25 far 0 71 0 - 8.0-18.2 HA HIS 67 - QG2 THR 25 far 0 87 0 - 8.4-17.0 HA ALA 34 - QG2 THR 18 far 0 55 0 - 8.7-29.1 HA LEU 53 - QG2 THR 18 far 0 81 0 - 8.7-33.6 Violated in 0 structures by 0.00 A. Peak 591 from aliabs.peaks (1.18, 1.18, 21.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 THR 25 + QG2 THR 25 OK 100 100 - 100 QG2 THR 18 + QG2 THR 18 OK 79 79 - 100 Peak 594 from aliabs.peaks (4.27, 4.27, 56.30 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HA LYS 26 + HA LYS 26 OK 100 100 - 100 HA LYS 31 + HA LYS 31 OK 100 100 - 100 HA LYS 19 + HA LYS 19 OK 99 99 - 100 HA ARG 23 + HA ARG 23 OK 47 47 - 100 HA LYS 36 + HA LYS 36 OK 41 41 - 100 Peak 595 from aliabs.peaks (1.75, 4.27, 56.30 ppm; 3.79 A): 6 out of 28 assignments used, quality = 1.00: * HB2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 ARG 23 + HA ARG 23 OK 49 49 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HA LYS 26 OK 34 100 40 85 2.0-13.6 4.6/798=7, 800=6...(85) HB2 LYS 26 + HA LYS 31 OK 22 100 25 88 4.1-14.6 809/6342=13, 799/3.0=8...(105) HB2 LYS 24 - HA ARG 23 poor 15 51 30 - 4.9-6.5 HB2 LYS 24 - HA LYS 19 poor 13 100 30 43 2.2-13.5 2.9/822=4, 2.9/241=3...(22) HB2 LYS 26 - HA ARG 23 poor 13 51 25 - 2.1-11.0 HB2 ARG 23 - HA LYS 26 far 10 99 10 - 4.3-10.5 HB2 LYS 19 - HA ARG 23 far 8 51 15 - 4.8-14.4 HB2 LYS 31 - HA ARG 23 far 5 51 10 - 4.7-18.9 HB2 LYS 19 - HA LYS 31 far 5 100 5 - 2.8-25.6 HB2 LYS 19 - HA LYS 26 far 5 100 5 - 3.8-20.4 HB2 LYS 26 - HA LYS 19 far 5 100 5 - 5.3-21.5 HB2 LYS 24 - HA LYS 36 far 3 51 5 - 4.8-29.5 HB2 ARG 23 - HA LYS 36 far 2 49 5 - 3.7-27.0 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 5.4-8.8 HB2 LYS 31 - HA LYS 19 far 0 100 0 - 5.5-26.5 HB2 ARG 23 - HA LYS 19 far 0 98 0 - 6.0-11.8 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 6.3-18.8 HB2 LYS 26 - HA LYS 36 far 0 51 0 - 6.4-25.4 HB2 ARG 23 - HA LYS 31 far 0 99 0 - 6.6-20.9 HB2 LYS 31 - HA LYS 36 far 0 51 0 - 8.0-15.2 HB2 LYS 39 - HA LYS 36 far 0 40 0 - 8.0-12.5 HB2 LYS 19 - HA LYS 36 far 0 51 0 - 8.1-34.9 HB2 LYS 39 - HA LYS 19 far 0 87 0 - 8.4-39.1 HG LEU 100 - HA LYS 26 far 0 63 0 - 9.3-21.3 Violated in 0 structures by 0.00 A. Peak 596 from aliabs.peaks (1.81, 4.27, 56.30 ppm; 3.60 A): 7 out of 37 assignments used, quality = 1.00: * HB3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 98 98 100 100 2.3-2.7 3.0=100 HB3 ARG 23 + HA ARG 23 OK 51 51 100 100 2.3-3.0 3.0=100 HB2 LYS 36 + HA LYS 36 OK 51 51 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HA LYS 26 OK 29 100 40 73 2.7-15.0 4.6/798=6, 1.8/595=6...(47) HB3 LYS 26 + HA LYS 31 OK 21 100 25 84 4.4-15.8 820/6342=7, 6332/3.0=6...(106) HB3 LYS 26 - HA ARG 23 poor 15 51 30 - 2.0-11.3 HB3 LYS 24 - HA ARG 23 poor 15 51 30 - 4.4-6.2 HB3 ARG 23 - HA LYS 26 far 15 100 15 - 4.4-10.8 HB3 LYS 24 - HA LYS 19 poor 13 100 35 37 2.0-13.2 2.9/822=4, 2.9/241=3...(15) HB ILE 32 - HA LYS 36 poor 13 50 25 - 3.6-10.5 HB ILE 32 - HA LYS 31 far 10 100 10 - 5.1-6.1 HB3 LYS 19 - HA ARG 23 far 7 48 15 - 4.3-14.0 HB ILE 32 - HA LYS 26 far 5 100 5 - 4.8-15.1 HB3 LYS 31 - HA LYS 19 far 5 99 5 - 3.9-25.7 HB3 LYS 19 - HA LYS 26 far 5 99 5 - 5.0-20.0 HB3 LYS 19 - HA LYS 31 far 5 98 5 - 4.5-26.9 HB3 LYS 24 - HA LYS 36 far 3 51 5 - 4.3-28.6 HB3 LYS 31 - HA ARG 23 far 3 51 5 - 4.2-18.6 HB3 ARG 23 - HA LYS 36 far 3 51 5 - 4.0-26.9 HB2 LYS 36 - HA LYS 31 far 0 100 0 - 5.5-14.2 HB3 LYS 26 - HA LYS 19 far 0 100 0 - 5.6-21.5 HB3 ARG 23 - HA LYS 19 far 0 99 0 - 5.9-12.8 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 6.1-8.8 HB2 LYS 36 - HA ARG 23 far 0 51 0 - 6.5-28.2 HB3 LYS 31 - HA LYS 36 far 0 51 0 - 6.7-16.3 HB3 LYS 26 - HA LYS 36 far 0 51 0 - 6.9-25.7 HB3 ARG 23 - HA LYS 31 far 0 100 0 - 7.1-20.6 HB2 LYS 36 - HA LYS 26 far 0 100 0 - 7.2-24.7 HB3 LYS 24 - HA LYS 31 far 0 100 0 - 7.6-18.1 HB ILE 32 - HA ARG 23 far 0 50 0 - 7.7-18.8 HB2 LYS 36 - HA LYS 19 far 0 100 0 - 7.9-35.2 HB2 CYS 79 - HA LYS 36 far 0 42 0 - 8.5-17.2 HB2 CYS 79 - HA LYS 19 far 0 91 0 - 8.5-37.3 HB3 LYS 19 - HA LYS 36 far 0 48 0 - 8.6-35.4 HB3 LEU 103 - HA LYS 26 far 0 78 0 - 8.8-25.1 Violated in 0 structures by 0.00 A. Peak 597 from aliabs.peaks (1.43, 4.27, 56.30 ppm; 4.22 A): 6 out of 34 assignments used, quality = 1.00: * HG2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.3-4.1 4.0=100 HG3 LYS 19 + HA LYS 19 OK 98 98 100 100 2.6-4.0 4.2=100 HG2 LYS 31 + HA LYS 31 OK 68 68 100 100 2.1-4.2 3.8=100 HG13 ILE 32 + HA LYS 31 OK 58 100 60 98 4.2-6.8 919/6342=79, 6333/3.0=24...(21) HG3 LYS 36 + HA LYS 36 OK 26 26 100 100 3.0-4.2 4.1=100 HG3 LYS 24 + HA LYS 19 OK 23 87 40 67 1.9-15.2 627=6, 1.8/271=5...(20) HG2 LYS 31 - HA LYS 26 poor 20 68 35 84 3.2-15.5 3.0/790=6, 3.0/240=5...(64) HG13 ILE 32 - HA LYS 26 poor 20 100 30 65 3.0-13.3 2.1/10753=14, 919/798=12...(19) HG2 LYS 26 - HA ARG 23 poor 15 51 30 - 1.9-10.9 HG2 LYS 26 - HA LYS 31 far 15 100 15 - 4.3-17.0 HG3 LYS 24 - HA ARG 23 poor 8 40 20 - 4.1-7.1 HG2 LYS 26 - HA LYS 36 far 5 51 10 - 4.1-27.7 HG3 LYS 19 - HA LYS 26 far 5 99 5 - 5.3-21.7 HG3 LYS 19 - HA LYS 31 far 5 99 5 - 4.9-27.9 HG3 LYS 24 - HA LYS 26 far 4 89 5 - 5.5-9.6 HG3 LYS 36 - HA LYS 31 far 3 62 5 - 5.5-12.3 HG2 LYS 31 - HA ARG 23 far 3 28 10 - 3.9-16.8 HG13 ILE 32 - HA LYS 36 far 3 51 5 - 5.2-12.3 HG2 LYS 31 - HA LYS 36 far 1 28 5 - 5.4-17.1 HG2 LYS 31 - HA LYS 19 far 0 67 0 - 5.8-24.5 HG3 LYS 36 - HA LYS 26 far 0 63 0 - 5.8-22.9 QB ALA 34 - HA LYS 36 far 0 41 0 - 6.0-6.7 HG3 LYS 24 - HA LYS 31 far 0 88 0 - 6.1-18.0 HG13 ILE 32 - HA ARG 23 far 0 51 0 - 6.1-16.7 HG3 LYS 36 - HA ARG 23 far 0 26 0 - 6.5-26.4 HG3 LYS 19 - HA ARG 23 far 0 49 0 - 6.5-15.5 HG3 LYS 36 - HA LYS 19 far 0 61 0 - 6.6-33.2 HG3 LYS 24 - HA LYS 36 far 0 40 0 - 6.7-27.7 QB ALA 34 - HA LYS 26 far 0 90 0 - 6.9-19.1 HG2 LYS 26 - HA LYS 19 far 0 100 0 - 7.6-22.5 QB ALA 34 - HA LYS 31 far 0 90 0 - 7.9-10.1 HG3 LYS 19 - HA LYS 36 far 0 49 0 - 8.1-37.0 QB ALA 34 - HA ARG 23 far 0 41 0 - 8.6-23.1 HG13 ILE 32 - HA LYS 19 far 0 100 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 598 from aliabs.peaks (1.38, 4.27, 56.30 ppm; 3.61 A): 6 out of 62 assignments used, quality = 1.00: * HG3 LYS 26 + HA LYS 26 OK 99 100 100 99 2.6-3.9 4.0=71, 6253/2.9=50...(32) HG3 LYS 31 + HA LYS 31 OK 98 100 100 98 2.0-4.2 3.8=85, 6334/3.0=25...(22) HG2 LYS 19 + HA LYS 19 OK 94 95 100 98 2.3-3.7 4.2=66, 6151/3.0=44...(42) HG2 LYS 36 + HA LYS 36 OK 51 51 100 99 2.3-3.8 4.1=67, 6394/3.0=55...(31) QB ALA 28 + HA LYS 26 OK 25 100 40 62 3.8-7.4 6265/3.6=22, ~10769=19...(10) HG2 LYS 24 + HA LYS 19 OK 22 99 35 64 2.2-15.3 1.8/822=5, 271=4, ~281=2...(47) HG3 LYS 26 - HA LYS 31 poor 20 100 20 - 4.5-16.0 HG3 LYS 31 - HA LYS 26 poor 19 100 25 76 2.3-14.5 1.8/822=5, 3.0/790=5...(43) HG3 LYS 26 - HA ARG 23 poor 15 51 30 - 2.4-10.6 QB ALA 15 - HA LYS 31 far 15 100 15 - 1.9-22.8 HG2 LYS 24 - HA ARG 23 poor 14 50 40 72 4.1-6.9 6222/6212=53...(11) QB ALA 12 - HA LYS 19 far 12 77 15 - 3.4-15.1 QB ALA 28 - HA ARG 23 poor 10 51 20 - 1.8-12.2 HG3 LYS 26 - HA LYS 36 far 5 51 10 - 4.9-27.4 HG3 LYS 31 - HA ARG 23 far 5 50 10 - 5.1-16.2 QB ALA 110 - HA LYS 26 far 5 100 5 - 3.4-31.5 QB ALA 29 - HA LYS 26 far 5 100 5 - 5.0-9.8 QB ALA 15 - HA LYS 19 far 5 100 5 - 3.6-11.2 HG2 LYS 24 - HA LYS 26 far 5 100 5 - 4.2-10.1 QB ALA 109 - HA LYS 26 far 5 99 5 - 4.0-28.9 QB ALA 16 - HA LYS 31 far 5 97 5 - 4.5-22.4 HG2 LYS 19 - HA LYS 31 far 5 96 5 - 4.9-26.6 QB ALA 12 - HA LYS 31 far 4 78 5 - 4.3-22.8 QB ALA 109 - HA ARG 23 far 2 50 5 - 2.2-33.4 QB ALA 108 - HA LYS 26 far 0 100 0 - 5.2-27.3 QB ALA 110 - HA ARG 23 far 0 51 0 - 5.2-36.2 QB ALA 28 - HA LYS 19 far 0 99 0 - 5.3-19.3 QB ALA 28 - HA LYS 31 far 0 100 0 - 5.5-7.8 HG3 LYS 31 - HA LYS 19 far 0 99 0 - 5.5-23.5 QB ALA 108 - HA ARG 23 far 0 51 0 - 5.5-32.0 HB2 LEU 42 - HA LYS 36 far 0 48 0 - 5.6-11.0 QB ALA 29 - HA LYS 36 far 0 51 0 - 5.6-13.8 QB ALA 15 - HA LYS 26 far 0 100 0 - 5.6-18.8 QB ALA 16 - HA LYS 19 far 0 96 0 - 5.7-9.7 QB ALA 29 - HA ARG 23 far 0 51 0 - 5.9-12.4 HG3 LYS 31 - HA LYS 36 far 0 50 0 - 5.9-16.7 QB ALA 29 - HA LYS 31 far 0 100 0 - 6.1-7.3 QB ALA 15 - HA ARG 23 far 0 51 0 - 6.2-16.4 HG2 LYS 19 - HA LYS 26 far 0 97 0 - 6.3-22.3 QB ALA 16 - HA LYS 36 far 0 47 0 - 6.4-29.0 HG2 LYS 19 - HA ARG 23 far 0 46 0 - 6.4-16.2 HG2 LYS 36 - HA LYS 19 far 0 100 0 - 6.5-33.1 HG2 LYS 24 - HA LYS 31 far 0 99 0 - 6.7-19.6 QB ALA 110 - HA LYS 19 far 0 100 0 - 6.8-43.3 QB ALA 16 - HA LYS 26 far 0 97 0 - 6.9-18.9 HG2 LYS 24 - HA LYS 36 far 0 50 0 - 7.0-29.4 QB ALA 12 - HA LYS 26 far 0 78 0 - 7.0-18.9 HG2 LYS 36 - HA LYS 31 far 0 100 0 - 7.1-11.7 HG2 LYS 36 - HA LYS 26 far 0 100 0 - 7.4-22.3 HG2 LYS 19 - HA LYS 36 far 0 46 0 - 7.5-37.3 QB ALA 108 - HA LYS 31 far 0 100 0 - 7.7-25.8 QB ALA 109 - HA LYS 19 far 0 99 0 - 7.8-40.6 QB ALA 16 - HA ARG 23 far 0 47 0 - 7.8-14.6 QB ALA 29 - HA LYS 19 far 0 99 0 - 8.0-19.1 HG3 LYS 26 - HA LYS 19 far 0 100 0 - 8.0-21.2 QB ALA 12 - HA ARG 23 far 0 34 0 - 8.0-14.5 HG2 LYS 36 - HA ARG 23 far 0 51 0 - 8.2-26.0 QB ALA 28 - HA LYS 36 far 0 51 0 - 8.4-17.1 QB ALA 108 - HA LYS 19 far 0 100 0 - 8.5-39.5 QB ALA 15 - HA LYS 36 far 0 51 0 - 8.6-28.8 QB ALA 12 - HA LYS 36 far 0 33 0 - 9.0-27.7 QB ALA 109 - HA LYS 31 far 0 99 0 - 9.1-27.0 Violated in 0 structures by 0.00 A. Peak 599 from aliabs.peaks (1.66, 4.27, 56.30 ppm; 4.52 A): 14 out of 55 assignments used, quality = 1.00: * HD2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.1-5.4 5.0=75, ~6252=39...(33) HD3 LYS 26 + HA LYS 26 OK 99 100 100 100 2.1-5.1 5.0=75, ~6252=39...(32) HD3 LYS 31 + HA LYS 31 OK 99 100 100 99 2.0-4.9 5.2=65, ~6332=31...(38) HD2 LYS 31 + HA LYS 31 OK 99 100 100 99 2.0-5.4 5.2=65, ~6332=31...(38) HD2 LYS 19 + HA LYS 19 OK 96 97 100 99 2.0-4.5 5.2=67, ~6151=32...(43) HD3 LYS 19 + HA LYS 19 OK 95 95 100 99 2.0-4.8 5.2=67, ~6151=32...(43) HD3 LYS 36 + HA LYS 36 OK 51 51 100 100 3.0-5.3 5.3=63, 1042/3.0=41...(33) HD2 LYS 36 + HA LYS 36 OK 50 51 100 100 3.5-5.3 5.3=63, 1042/3.0=41...(33) HD3 LYS 24 + HA LYS 19 OK 35 99 40 88 2.2-14.1 3.0/822=6, 3.0/241=4...(89) HD3 LYS 26 + HA LYS 31 OK 34 100 35 99 4.2-17.5 6336/3.0=7, 3.5/790=4...(188) HD2 LYS 24 + HA LYS 19 OK 32 100 35 92 3.3-14.3 3.0/822=6, 3.0/241=4...(125) HD3 LYS 31 + HA LYS 26 OK 29 100 30 96 4.2-13.7 3.5/790=6, 2.9/822=6...(162) HD2 LYS 31 + HA LYS 26 OK 28 100 30 94 2.5-14.0 3.5/790=6, 2.9/822=6...(130) HD2 LYS 26 + HA LYS 31 OK 25 100 25 99 4.7-17.2 6335/3.0=6, ~6336=5...(194) HD3 LYS 24 - HA ARG 23 poor 17 50 35 - 3.5-8.6 HD2 LYS 24 - HA ARG 23 poor 15 51 30 - 3.9-8.4 HD2 LYS 36 - HA LYS 31 far 15 100 15 - 4.5-11.5 HD2 LYS 26 - HA ARG 23 poor 15 51 50 58 3.1-12.9 6237/6240=3, 3938/3.8=3...(17) HD3 LYS 26 - HA ARG 23 poor 13 51 40 64 3.6-13.1 11449/4.9=12...(18) HD2 LYS 26 - HA LYS 36 far 5 51 10 - 4.9-28.2 HD3 LYS 26 - HA LYS 36 far 5 51 10 - 5.8-27.5 HD2 LYS 24 - HA LYS 26 far 5 100 5 - 6.0-10.6 HD3 LYS 36 - HA LYS 31 far 5 100 5 - 5.5-11.8 HD3 LYS 24 - HA LYS 26 far 5 99 5 - 4.6-10.7 HD2 LYS 19 - HA LYS 31 far 5 98 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 5 96 5 - 3.5-28.9 HD2 LYS 24 - HA LYS 36 far 3 51 5 - 6.0-27.3 HD2 LYS 31 - HA ARG 23 far 3 50 5 - 5.6-16.4 HB2 LEU 98 - HA ARG 23 far 2 44 5 - 5.9-35.9 HD3 LYS 19 - HA ARG 23 far 0 46 0 - 6.1-16.1 HD3 LYS 31 - HA ARG 23 far 0 51 0 - 6.2-17.8 HD3 LYS 26 - HA LYS 19 far 0 99 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 41 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 98 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 50 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 97 0 - 7.0-22.3 HD2 LYS 19 - HA ARG 23 far 0 48 0 - 7.0-14.4 HD2 LYS 36 - HA LYS 26 far 0 100 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 48 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 100 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 100 0 - 7.4-24.1 HD3 LYS 36 - HA ARG 23 far 0 51 0 - 7.6-24.8 HD2 LYS 36 - HA ARG 23 far 0 51 0 - 7.6-24.0 HD3 LYS 24 - HA LYS 36 far 0 49 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 51 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 99 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 95 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 99 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 36 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 100 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 99 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 98 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 48 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 600 from aliabs.peaks (1.66, 4.27, 56.30 ppm; 4.51 A): 14 out of 55 assignments used, quality = 1.00: * HD3 LYS 26 + HA LYS 26 OK 99 100 100 99 2.1-5.1 5.0=75, ~6252=39...(32) HD2 LYS 26 + HA LYS 26 OK 99 100 100 99 2.1-5.4 5.0=75, ~6252=39...(33) HD3 LYS 31 + HA LYS 31 OK 99 100 100 99 2.0-4.9 5.2=65, ~6332=31...(38) HD2 LYS 31 + HA LYS 31 OK 98 99 100 99 2.0-5.4 5.2=65, ~6332=31...(38) HD2 LYS 19 + HA LYS 19 OK 94 94 100 99 2.0-4.5 5.2=67, ~6151=31...(42) HD3 LYS 19 + HA LYS 19 OK 91 92 100 99 2.0-4.8 5.2=67, ~6151=31...(43) HD2 LYS 36 + HA LYS 36 OK 51 51 100 100 3.5-5.3 5.3=63, 1031/3.0=41...(33) HD3 LYS 36 + HA LYS 36 OK 51 51 100 100 3.0-5.3 5.3=63, 1042/3.0=41...(33) HD3 LYS 26 + HA LYS 31 OK 34 100 35 99 4.2-17.5 6336/3.0=7, 3.5/790=4...(188) HD3 LYS 24 + HA LYS 19 OK 34 97 40 87 2.2-14.1 3.0/822=6, 3.0/241=4...(88) HD2 LYS 24 + HA LYS 19 OK 32 100 35 92 3.3-14.3 3.0/822=6, 3.0/241=4...(125) HD3 LYS 31 + HA LYS 26 OK 29 100 30 96 4.2-13.7 3.5/790=6, 2.9/822=6...(161) HD2 LYS 31 + HA LYS 26 OK 28 99 30 94 2.5-14.0 3.5/790=6, 2.9/822=6...(129) HD2 LYS 26 + HA LYS 31 OK 25 100 25 99 4.7-17.2 6335/3.0=6, ~6336=5...(194) HD3 LYS 24 - HA ARG 23 poor 17 48 35 - 3.5-8.6 HD2 LYS 24 - HA ARG 23 poor 15 51 30 - 3.9-8.4 HD2 LYS 36 - HA LYS 31 far 15 100 15 - 4.5-11.5 HD2 LYS 26 - HA ARG 23 poor 15 51 50 58 3.1-12.9 6236/6240=3, 2.9/627=2...(17) HD3 LYS 26 - HA ARG 23 poor 13 51 40 64 3.6-13.1 11449/4.9=11...(18) HD3 LYS 26 - HA LYS 36 far 5 51 10 - 5.8-27.5 HD2 LYS 26 - HA LYS 36 far 5 51 10 - 4.9-28.2 HD3 LYS 36 - HA LYS 31 far 5 100 5 - 5.5-11.8 HD2 LYS 24 - HA LYS 26 far 5 100 5 - 6.0-10.6 HD3 LYS 24 - HA LYS 26 far 5 98 5 - 4.6-10.7 HD2 LYS 19 - HA LYS 31 far 5 95 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 5 93 5 - 3.5-28.9 HD2 LYS 24 - HA LYS 36 far 3 51 5 - 6.0-27.3 HD2 LYS 31 - HA ARG 23 far 2 49 5 - 5.6-16.4 HB2 LEU 98 - HA ARG 23 far 2 41 5 - 5.9-35.9 HD3 LYS 19 - HA ARG 23 far 0 43 0 - 6.1-16.1 HD3 LYS 31 - HA ARG 23 far 0 50 0 - 6.2-17.8 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 37 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 96 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 49 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 93 0 - 7.0-22.3 HD2 LYS 19 - HA ARG 23 far 0 45 0 - 7.0-14.4 HD2 LYS 36 - HA LYS 26 far 0 100 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 45 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 100 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 99 0 - 7.4-24.1 HD3 LYS 36 - HA ARG 23 far 0 51 0 - 7.6-24.8 HD2 LYS 36 - HA ARG 23 far 0 51 0 - 7.6-24.0 HD3 LYS 24 - HA LYS 36 far 0 48 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 50 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 99 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 98 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 90 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 98 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 40 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 100 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 100 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 95 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 45 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 605 from aliabs.peaks (4.27, 1.75, 32.59 ppm; 3.43 A): 6 out of 71 assignments used, quality = 1.00: * HA LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLN 27 + HB2 LYS 26 OK 72 81 95 94 3.8-5.8 3.0/6262=57, ~6263=31...(24) HA THR 25 + HB2 LYS 24 OK 41 78 55 94 3.9-6.1 3.0/6232=46, ~6233=27...(25) HA LYS 26 + HB2 LYS 31 OK 26 100 40 65 2.0-13.6 595=7, 798/4.6=6...(42) HA LYS 31 - HB2 LYS 26 poor 20 100 20 - 4.1-14.6 HA LEU 22 - HB2 LYS 24 poor 20 100 20 - 3.7-8.4 HA THR 25 - HB2 LYS 26 far 12 78 15 - 4.4-6.5 HA ALA 16 - HB2 LYS 19 far 10 98 10 - 2.8-10.3 HA ARG 23 - HB2 LYS 19 far 10 97 10 - 4.8-14.4 HA ALA 15 - HB2 LYS 19 far 10 96 10 - 2.0-12.9 HA THR 18 - HB2 LYS 24 far 9 94 10 - 3.7-15.2 HA THR 18 - HB2 LYS 19 far 9 94 10 - 4.6-6.1 HA LYS 19 - HB2 LYS 24 poor 9 100 30 29 2.2-13.5 822/2.9=3, 241/2.9=3...(11) HA THR 25 - HB2 LYS 31 far 8 77 10 - 2.3-14.6 HA ALA 21 - HB2 LYS 24 far 7 65 10 - 3.8-10.8 HA LYS 31 - HB2 LYS 19 far 5 100 5 - 2.8-25.6 HA LYS 26 - HB2 LYS 19 far 5 100 5 - 3.8-20.4 HA ALA 16 - HB2 LYS 31 far 5 98 5 - 4.0-25.6 HA ARG 23 - HB2 LYS 24 far 5 97 5 - 4.9-6.5 HA GLN 61 - HB2 LYS 26 far 5 97 5 - 3.8-23.1 HA ARG 23 - HB2 LYS 31 far 5 97 5 - 4.7-18.9 HA ALA 15 - HB2 LYS 31 far 5 96 5 - 4.3-23.9 HA THR 18 - HB2 LYS 31 far 5 94 5 - 4.4-25.6 HA LYS 36 - HB2 LYS 24 far 5 90 5 - 4.8-29.5 HA GLN 27 - HB2 LYS 24 far 4 80 5 - 4.6-11.1 HA THR 25 - HB2 LYS 19 far 4 78 5 - 4.7-19.1 HA ARG 23 - HB2 LYS 26 lone 3 97 25 14 2.1-11.0 424/6250=4, 6240/500=2...(5) HA ALA 12 - HB2 LYS 19 far 0 88 0 - 5.3-18.5 HA LYS 19 - HB2 LYS 26 far 0 100 0 - 5.3-21.5 HA LYS 26 - HB2 LYS 24 far 0 100 0 - 5.4-8.8 HA ALA 110 - HB2 LYS 19 far 0 90 0 - 5.5-52.4 HA LYS 19 - HB2 LYS 31 far 0 100 0 - 5.5-26.5 HA ALA 28 - HB2 LYS 19 far 0 73 0 - 5.5-21.8 HA ALA 28 - HB2 LYS 26 far 0 73 0 - 5.6-8.0 HA GLN 27 - HB2 LYS 31 far 0 80 0 - 5.8-10.8 HA ALA 16 - HB2 LYS 24 far 0 99 0 - 5.9-18.1 HA ALA 109 - HB2 LYS 26 far 0 98 0 - 6.0-33.0 HA ALA 21 - HB2 LYS 19 far 0 65 0 - 6.0-8.4 HA ALA 21 - HB2 LYS 39 far 0 33 0 - 6.2-35.5 HA ALA 108 - HB2 LYS 26 far 0 98 0 - 6.2-31.7 HA GLN 61 - HB2 LYS 24 far 0 96 0 - 6.2-24.2 HA LYS 31 - HB2 LYS 24 far 0 100 0 - 6.3-18.8 HA LYS 36 - HB2 LYS 26 far 0 90 0 - 6.4-25.4 HA ALA 108 - HB2 LYS 24 far 0 98 0 - 6.4-38.3 HA ALA 15 - HB2 LYS 24 far 0 96 0 - 6.4-20.1 HA THR 18 - HB2 LYS 39 far 0 54 0 - 6.6-39.0 HA ALA 28 - HB2 LYS 24 far 0 73 0 - 6.6-12.7 HA ALA 28 - HB2 LYS 31 far 0 72 0 - 6.9-10.2 HA ALA 21 - HB2 LYS 26 far 0 65 0 - 6.9-15.5 HA LEU 22 - HB2 LYS 26 far 0 100 0 - 7.0-13.1 HA ALA 12 - HB2 LYS 31 far 0 88 0 - 7.0-25.5 HA ALA 21 - HB2 LYS 31 far 0 65 0 - 7.4-20.3 HA ALA 110 - HB2 LYS 26 far 0 90 0 - 7.5-34.3 HA GLN 61 - HB2 LYS 31 far 0 96 0 - 7.7-22.8 HA LEU 22 - HB2 LYS 19 far 0 100 0 - 7.8-10.4 HA ALA 12 - HB2 LYS 24 far 0 89 0 - 7.8-22.2 HA GLN 27 - HB2 LYS 19 far 0 80 0 - 7.8-21.0 HA ALA 15 - HB2 LYS 26 far 0 97 0 - 7.9-25.3 HA LYS 36 - HB2 LYS 31 far 0 89 0 - 8.0-15.2 HA LYS 36 - HB2 LYS 39 far 0 50 0 - 8.0-12.5 HA LYS 36 - HB2 LYS 19 far 0 90 0 - 8.1-34.9 HA THR 18 - HB2 LYS 26 far 0 95 0 - 8.2-20.4 HA ALA 109 - HB2 LYS 24 far 0 98 0 - 8.3-40.7 HA LYS 19 - HB2 LYS 39 far 0 61 0 - 8.4-39.1 HA LEU 22 - HB2 LYS 31 far 0 100 0 - 8.7-20.5 HA ALA 108 - HB2 LYS 19 far 0 98 0 - 9.0-49.4 HA ALA 109 - HB2 LYS 19 far 0 98 0 - 9.2-51.5 HA LEU 22 - HB2 LYS 39 far 0 61 0 - 9.9-31.8 HA SER 74 - HB2 LYS 31 far 0 82 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 606 from aliabs.peaks (1.75, 1.75, 32.59 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 HB2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 49 49 - 100 Peak 607 from aliabs.peaks (1.81, 1.75, 32.59 ppm; 2.50 A): 4 out of 33 assignments used, quality = 1.00: * HB3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 19 + HB2 LYS 19 OK 98 98 100 100 1.8-1.8 1.8=100 HB3 ARG 23 - HB2 LYS 26 far 15 100 15 - 2.2-12.8 HB3 LYS 19 - HB2 LYS 24 far 15 99 15 - 1.9-15.0 HB3 LYS 31 - HB2 LYS 26 poor 14 100 35 41 1.9-14.9 617=3, 6332/799=3...(26) HB3 LYS 26 - HB2 LYS 31 poor 9 100 25 38 2.0-14.1 6332/6331=3, 3.0/639=2...(11) HB3 LYS 31 - HB2 LYS 19 far 5 100 5 - 1.9-25.4 HB2 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.3-29.5 HB3 LYS 26 - HB2 LYS 19 far 5 100 5 - 3.6-22.7 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 4.0-14.4 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 4.3-15.5 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 4.5-22.1 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 4.7-10.3 HB3 LYS 19 - HB2 LYS 31 far 0 98 0 - 4.8-27.2 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 4.9-18.1 HB2 LYS 36 - HB2 LYS 26 far 0 100 0 - 5.0-25.1 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 5.1-20.1 HB3 ARG 23 - HB2 LYS 24 far 0 100 0 - 5.2-7.4 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.2-10.9 HB3 ARG 23 - HB2 LYS 31 far 0 100 0 - 5.4-20.6 HB ILE 32 - HB2 LYS 31 far 0 99 0 - 5.5-7.0 HB2 CYS 79 - HB2 LYS 39 far 0 52 0 - 5.7-8.9 HB3 ARG 23 - HB2 LYS 19 far 0 100 0 - 6.1-14.6 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.1-18.4 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.2-14.4 HB3 LEU 103 - HB2 LYS 26 far 0 78 0 - 7.8-23.4 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 8.3-25.2 HB3 ARG 135 - HB2 LYS 39 far 0 61 0 - 8.4-15.3 HB2 LEU 100 - HB2 LYS 26 far 0 99 0 - 8.8-21.4 HB2 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.5-34.1 HB2 CYS 79 - HB2 LYS 19 far 0 91 0 - 9.5-37.6 Violated in 0 structures by 0.00 A. Peak 608 from aliabs.peaks (1.43, 1.75, 32.59 ppm; 3.53 A): 6 out of 32 assignments used, quality = 1.00: * HG2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 89 89 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB2 LYS 31 OK 67 67 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 31 OK 26 100 30 88 1.9-15.6 628=9, 629/1.8=7...(69) HG13 ILE 32 + HB2 LYS 26 OK 20 100 35 57 2.7-13.3 919/6343=10, 6264/6262=8...(21) HG13 ILE 32 - HB2 LYS 31 poor 19 100 25 77 4.2-6.6 919/4.6=35, 6333/6331=17...(21) HG2 LYS 31 - HB2 LYS 26 poor 17 68 25 - 3.5-15.2 HG3 LYS 24 - HB2 LYS 19 poor 14 88 25 65 3.6-16.4 283=4, 284/1.8=3...(24) HG2 LYS 31 - HB2 LYS 19 far 7 68 10 - 3.6-24.3 HG3 LYS 19 - HB2 LYS 24 far 5 99 5 - 2.7-16.0 HG3 LYS 19 - HB2 LYS 31 far 5 99 5 - 4.6-28.5 HG3 LYS 24 - HB2 LYS 26 far 4 89 5 - 2.9-11.4 HG2 LYS 31 - HB2 LYS 24 far 3 68 5 - 4.1-17.7 HG3 LYS 36 - HB2 LYS 24 far 3 63 5 - 2.7-27.9 HG3 LYS 36 - HB2 LYS 26 far 3 63 5 - 3.8-23.1 HG3 LYS 36 - HB2 LYS 31 far 3 62 5 - 4.9-12.3 HG2 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.2-11.5 HG13 ILE 32 - HB2 LYS 24 far 0 100 0 - 5.6-18.1 HG3 LYS 19 - HB2 LYS 26 far 0 99 0 - 6.0-24.0 QB ALA 34 - HB2 LYS 24 far 0 90 0 - 6.0-20.9 HG2 LYS 26 - HB2 LYS 19 far 0 100 0 - 6.0-23.9 QB ALA 34 - HB2 LYS 39 far 0 50 0 - 6.4-12.3 HG13 ILE 32 - HB2 LYS 19 far 0 100 0 - 6.7-23.1 HG3 LYS 24 - HB2 LYS 31 far 0 88 0 - 6.7-18.1 QB ALA 34 - HB2 LYS 26 far 0 90 0 - 7.2-17.5 HG3 LYS 36 - HB2 LYS 19 far 0 62 0 - 7.5-32.1 QB ALA 34 - HB2 LYS 31 far 0 89 0 - 8.9-11.3 QB ALA 34 - HB2 LYS 19 far 0 90 0 - 9.1-28.2 HG2 LYS 86 - HB2 LYS 39 far 0 49 0 - 9.7-16.0 HG3 LYS 24 - HB2 LYS 39 far 0 49 0 - 9.7-30.3 HG3 LYS 19 - HB2 LYS 39 far 0 60 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 609 from aliabs.peaks (1.38, 1.75, 32.59 ppm; 3.56 A): 5 out of 58 assignments used, quality = 1.00: * HG3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.4-3.0 3.0=100 HG2 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.3-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 31 OK 35 100 40 88 2.0-14.6 639=9, 1.8/628=6...(71) QB ALA 28 - HB2 LYS 24 poor 20 100 20 - 3.6-11.7 HG2 LYS 24 - HB2 LYS 19 poor 20 99 20 - 3.7-16.8 HG2 LYS 19 - HB2 LYS 24 poor 19 96 20 - 3.4-16.9 QB ALA 15 - HB2 LYS 19 far 15 100 15 - 3.2-11.8 HG3 LYS 31 - HB2 LYS 26 far 15 100 15 - 3.1-14.0 QB ALA 15 - HB2 LYS 31 far 15 100 15 - 2.9-21.5 QB ALA 28 - HB2 LYS 31 far 15 100 15 - 3.9-8.1 QB ALA 16 - HB2 LYS 19 far 15 97 15 - 4.3-10.2 QB ALA 12 - HB2 LYS 19 far 12 78 15 - 3.2-16.2 HG3 LYS 31 - HB2 LYS 24 far 10 100 10 - 3.7-17.1 HG3 LYS 31 - HB2 LYS 19 far 10 100 10 - 2.7-23.1 HG2 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.2-11.2 QB ALA 15 - HB2 LYS 24 far 5 100 5 - 4.0-16.1 HG2 LYS 36 - HB2 LYS 24 far 5 100 5 - 4.2-27.3 QB ALA 108 - HB2 LYS 24 far 5 100 5 - 4.3-30.9 QB ALA 110 - HB2 LYS 26 far 5 100 5 - 4.6-29.1 QB ALA 108 - HB2 LYS 26 far 5 100 5 - 4.5-25.6 QB ALA 29 - HB2 LYS 24 far 5 100 5 - 4.1-11.9 QB ALA 28 - HB2 LYS 26 far 5 100 5 - 4.9-6.6 QB ALA 29 - HB2 LYS 26 far 5 100 5 - 5.0-8.6 QB ALA 28 - HB2 LYS 19 far 5 100 5 - 5.0-20.0 QB ALA 16 - HB2 LYS 31 far 5 97 5 - 3.9-22.2 QB ALA 12 - HB2 LYS 31 far 4 77 5 - 4.2-20.5 HB2 LEU 42 - HB2 LYS 39 far 3 59 5 - 4.9-6.9 HG2 LYS 19 - HB2 LYS 31 far 0 96 0 - 5.2-27.3 QB ALA 110 - HB2 LYS 19 far 0 100 0 - 5.2-44.1 HG3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.4-11.1 HG2 LYS 36 - HB2 LYS 26 far 0 100 0 - 5.5-22.8 HG2 LYS 24 - HB2 LYS 31 far 0 99 0 - 5.6-19.7 QB ALA 29 - HB2 LYS 31 far 0 100 0 - 5.6-7.8 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 6.0-22.5 QB ALA 12 - HB2 LYS 24 far 0 78 0 - 6.0-16.8 QB ALA 29 - HB2 LYS 19 far 0 100 0 - 6.4-20.3 HG2 LYS 19 - HB2 LYS 26 far 0 97 0 - 6.4-24.5 HG2 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.5-12.1 QB ALA 109 - HB2 LYS 26 far 0 99 0 - 6.6-26.4 QB ALA 109 - HB2 LYS 24 far 0 99 0 - 6.6-32.7 QB ALA 16 - HB2 LYS 24 far 0 97 0 - 6.8-16.1 HG3 LYS 95 - HB2 LYS 24 far 0 100 0 - 7.0-33.7 QB ALA 109 - HB2 LYS 19 far 0 99 0 - 7.3-41.6 HG2 LYS 36 - HB2 LYS 19 far 0 100 0 - 7.3-32.2 QB ALA 15 - HB2 LYS 26 far 0 100 0 - 7.6-20.4 QB ALA 16 - HB2 LYS 26 far 0 97 0 - 7.8-20.6 HG2 LYS 95 - HB2 LYS 24 far 0 99 0 - 7.9-33.5 HG2 LYS 24 - HB2 LYS 39 far 0 61 0 - 8.0-31.6 QB ALA 12 - HB2 LYS 26 far 0 78 0 - 8.3-21.0 QB ALA 16 - HB2 LYS 39 far 0 57 0 - 8.9-31.7 QB ALA 12 - HB2 LYS 39 far 0 41 0 - 8.9-34.9 QB ALA 108 - HB2 LYS 19 far 0 100 0 - 9.4-40.4 HG2 LYS 36 - HB2 LYS 39 far 0 62 0 - 9.5-14.0 HB3 LEU 100 - HB2 LYS 26 far 0 99 0 - 9.6-21.1 QB ALA 108 - HB2 LYS 31 far 0 100 0 - 9.7-26.1 QB ALA 110 - HB2 LYS 24 far 0 100 0 - 9.9-36.0 Violated in 0 structures by 0.00 A. Peak 610 from aliabs.peaks (1.66, 1.75, 32.59 ppm; 4.74 A): 15 out of 55 assignments used, quality = 1.00: * HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.9-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 96 96 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 31 OK 54 100 55 98 2.4-15.6 2.9/639=8, 2.9/628=8...(164) HD2 LYS 39 + HB2 LYS 39 OK 45 45 100 100 2.3-3.5 3.6=100 HD2 LYS 26 + HB2 LYS 31 OK 44 100 45 99 3.3-16.0 2.9/639=8, 2.9/628=8...(183) HG LEU 43 + HB2 LYS 39 OK 43 50 85 99 4.3-7.0 ~11901=55, ~9119=41...(20) HD2 LYS 31 + HB2 LYS 26 OK 40 100 40 99 4.5-13.8 10771/10770=19...(198) HD3 LYS 24 + HB2 LYS 19 OK 29 99 30 96 4.7-15.4 3.0/823=5, 2631/1.8=4...(147) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 100 4.1-13.7 10771/10770=16...(221) HD2 LYS 19 - HB2 LYS 24 poor 18 98 35 52 4.1-16.1 305=2, 5.2/790=2...(8) HD2 LYS 24 - HB2 LYS 19 far 15 100 15 - 3.7-16.1 HD3 LYS 19 - HB2 LYS 24 poor 13 96 25 55 2.7-16.8 5.2/790=2, 1.8/305=2...(8) HD2 LYS 36 - HB2 LYS 26 far 10 100 10 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.0-25.5 HD2 LYS 24 - HB2 LYS 26 far 5 100 5 - 3.6-12.6 HD3 LYS 36 - HB2 LYS 24 far 5 100 5 - 4.2-25.9 HD3 LYS 24 - HB2 LYS 26 far 5 99 5 - 2.0-12.6 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-23.5 HD2 LYS 31 - HB2 LYS 24 far 5 100 5 - 4.7-17.2 HD3 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 5 100 5 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 26 far 5 100 5 - 6.1-21.8 HD2 LYS 26 - HB2 LYS 19 far 5 100 5 - 6.2-21.7 HD3 LYS 26 - HB2 LYS 19 far 5 100 5 - 5.6-21.9 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-23.0 HD2 LYS 36 - HB2 LYS 31 far 5 100 5 - 5.5-12.6 HD3 LYS 24 - HB2 LYS 31 far 5 99 5 - 6.2-19.4 HD2 LYS 19 - HB2 LYS 31 far 5 97 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 96 5 - 5.5-29.5 HB2 LEU 98 - HB2 LYS 24 far 5 94 5 - 5.1-34.5 HB2 LEU 98 - HB2 LYS 26 far 0 95 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 97 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 98 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 62 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 60 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 61 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 83 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 93 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 98 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 58 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 90 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 62 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 61 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 611 from aliabs.peaks (1.66, 1.75, 32.59 ppm; 4.74 A): 15 out of 55 assignments used, quality = 1.00: * HD3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.9-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 95 95 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 93 93 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 31 OK 54 100 55 98 2.4-15.6 2.9/639=8, 2.9/628=8...(164) HD2 LYS 39 + HB2 LYS 39 OK 49 49 100 100 2.3-3.5 3.6=100 HD2 LYS 26 + HB2 LYS 31 OK 44 100 45 99 3.3-16.0 2.9/639=8, 2.9/628=8...(183) HD2 LYS 31 + HB2 LYS 26 OK 39 99 40 99 4.5-13.8 10771/10770=19...(198) HG LEU 43 + HB2 LYS 39 OK 39 46 85 99 4.3-7.0 ~11901=55, ~9119=41...(20) HD3 LYS 24 + HB2 LYS 19 OK 28 98 30 96 4.7-15.4 3.0/823=5, 2631/1.8=4...(147) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 100 4.1-13.7 10771/10770=16...(221) HD2 LYS 19 - HB2 LYS 24 poor 17 96 35 52 4.1-16.1 294=2, 5.2/790=2...(8) HD2 LYS 24 - HB2 LYS 19 far 15 100 15 - 3.7-16.1 HD3 LYS 19 - HB2 LYS 24 poor 13 93 25 55 2.7-16.8 5.2/790=2, 1.8/305=2...(8) HD2 LYS 36 - HB2 LYS 26 far 10 100 10 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.0-25.5 HD2 LYS 24 - HB2 LYS 26 far 5 100 5 - 3.6-12.6 HD3 LYS 36 - HB2 LYS 24 far 5 100 5 - 4.2-25.9 HD3 LYS 26 - HB2 LYS 19 far 5 100 5 - 5.6-21.9 HD3 LYS 36 - HB2 LYS 26 far 5 100 5 - 6.1-21.8 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-23.5 HD2 LYS 36 - HB2 LYS 31 far 5 100 5 - 5.5-12.6 HD2 LYS 26 - HB2 LYS 24 far 5 100 5 - 6.1-12.1 HD3 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 19 far 5 100 5 - 6.2-21.7 HD2 LYS 31 - HB2 LYS 24 far 5 99 5 - 4.7-17.2 HD2 LYS 31 - HB2 LYS 19 far 5 99 5 - 5.1-23.0 HD3 LYS 24 - HB2 LYS 26 far 5 98 5 - 2.0-12.6 HD3 LYS 24 - HB2 LYS 31 far 5 97 5 - 6.2-19.4 HD2 LYS 19 - HB2 LYS 31 far 5 95 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 92 5 - 5.5-29.5 HB2 LEU 98 - HB2 LYS 24 far 5 90 5 - 5.1-34.5 HB2 LEU 98 - HB2 LYS 26 far 0 90 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 93 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 96 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 62 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 58 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 62 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 89 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 89 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 99 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 96 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 55 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 85 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 62 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 60 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 612 from aliabs.peaks (2.96, 1.75, 32.59 ppm; 5.81 A): 17 out of 50 assignments used, quality = 1.00: * HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.6-5.5 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 1.8-4.7 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 96 96 100 100 3.1-5.1 5.1=100 HE3 LYS 26 + HB2 LYS 31 OK 59 100 60 98 3.4-17.3 3.6/639=9, 3.6/628=8...(178) HE2 LYS 26 + HB2 LYS 31 OK 54 100 55 98 3.2-17.5 3.6/639=9, 3.6/628=8...(181) HE3 LYS 24 + HB2 LYS 19 OK 36 95 40 96 5.3-18.0 4.0/823=5, 2634/1.8=5...(167) HE3 LYS 31 + HB2 LYS 26 OK 32 99 35 92 4.2-12.2 3.7/834=8, 3.7/823=7...(134) HE2 LYS 24 + HB2 LYS 19 OK 29 99 30 96 4.1-17.5 4.0/823=5, 2634/1.8=5...(164) HE2 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.0-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 29 29 100 100 3.7-4.5 4.9=100 HE2 LYS 31 + HB2 LYS 26 OK 27 100 30 91 4.4-12.8 3.7/834=8, 3.7/823=7...(137) HE2 LYS 19 + HB2 LYS 24 OK 25 100 35 72 3.8-18.2 6.4/790=2, 2.9/305=2...(38) HE2 LYS 36 - HB2 LYS 26 poor 20 100 20 - 3.3-22.3 HE3 LYS 19 - HB2 LYS 24 poor 18 100 30 61 4.9-17.5 1026/2.9=2, 6.4/790=2...(34) HE2 LYS 36 - HB2 LYS 24 far 10 100 10 - 1.9-26.5 HE2 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.2-25.0 HE2 LYS 24 - HB2 LYS 26 far 10 99 10 - 4.0-13.1 HE3 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.9-25.9 HE2 LYS 24 - HB2 LYS 31 far 10 99 10 - 4.9-20.2 HE3 LYS 24 - HB2 LYS 26 far 10 96 10 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 8 100 25 31 3.5-12.9 6337/6331=2 HE3 LYS 36 - HB2 LYS 31 poor 7 100 25 26 4.9-12.6 6337/6331=3, 2634/1.8=1 HE2 LYS 26 - HB2 LYS 24 lone 6 100 35 17 5.6-12.3 9587/11151=6, 3.6/834=2 HE3 LYS 26 - HB2 LYS 24 poor 5 100 25 22 5.3-12.3 9587/11151=8, 3.6/834=2 HE3 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.6-27.4 HE2 LYS 31 - HB2 LYS 24 far 5 100 5 - 6.9-18.8 HE2 LYS 26 - HB2 LYS 19 far 5 100 5 - 6.8-24.3 HE3 LYS 19 - HB2 LYS 31 far 5 100 5 - 7.1-27.9 HE2 LYS 19 - HB2 LYS 31 far 5 100 5 - 7.3-27.5 HE3 LYS 31 - HB2 LYS 24 far 5 99 5 - 6.7-18.7 HE3 LYS 24 - HB2 LYS 31 far 5 95 5 - 5.8-20.7 HE3 LYS 36 - HB2 LYS 26 lone 4 100 25 18 4.9-22.7 10721/10748=3 HB2 CYS 45 - HB2 LYS 26 far 4 73 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 0 68 0 - 7.9-33.7 HE3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.2-24.9 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 62 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 72 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 87 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 62 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 73 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 55 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 613 from aliabs.peaks (2.96, 1.75, 32.59 ppm; 5.78 A): 15 out of 48 assignments used, quality = 1.00: * HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.6-5.5 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 3.2-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.0-4.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 97 97 100 100 1.8-4.7 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 92 92 100 100 3.1-5.1 5.1=100 HE3 LYS 26 + HB2 LYS 31 OK 59 100 60 98 3.4-17.3 3.6/639=9, 3.6/628=8...(177) HE2 LYS 26 + HB2 LYS 31 OK 54 100 55 98 3.2-17.5 3.6/639=9, 3.6/628=8...(180) HE3 LYS 24 + HB2 LYS 19 OK 35 91 40 95 5.3-18.0 4.0/823=5, 2634/1.8=5...(167) HE3 LYS 31 + HB2 LYS 26 OK 31 98 35 92 4.2-12.2 3.7/834=8, 3.7/823=7...(134) HE2 LYS 24 + HB2 LYS 19 OK 28 98 30 96 4.1-17.5 4.0/823=5, 2634/1.8=5...(164) HE2 LYS 31 + HB2 LYS 26 OK 27 100 30 91 4.4-12.8 3.7/834=8, 3.7/823=7...(137) HE2 LYS 19 + HB2 LYS 24 OK 25 99 35 71 3.8-18.2 6.4/790=2, 2.9/305=2...(38) HE2 LYS 36 - HB2 LYS 26 poor 20 100 20 - 3.3-22.3 HE3 LYS 19 - HB2 LYS 24 poor 18 99 30 61 4.9-17.5 1026/2.9=2, 6.4/790=2...(28) HE2 LYS 36 - HB2 LYS 24 far 10 100 10 - 1.9-26.5 HE2 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.2-25.0 HE2 LYS 24 - HB2 LYS 26 far 10 98 10 - 4.0-13.1 HE3 LYS 31 - HB2 LYS 19 far 10 98 10 - 5.9-25.9 HE2 LYS 24 - HB2 LYS 31 far 10 97 10 - 4.9-20.2 HE3 LYS 24 - HB2 LYS 26 far 9 92 10 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 8 100 25 31 3.5-12.9 6337/6331=2 HE3 LYS 36 - HB2 LYS 31 poor 6 100 25 26 4.9-12.6 6337/6331=3, 2634/1.8=1 HE3 LYS 26 - HB2 LYS 24 poor 5 100 25 21 5.3-12.3 9587/11151=7, 3.6/834=2 HE2 LYS 26 - HB2 LYS 24 lone 5 100 30 17 5.6-12.3 9587/11151=5, 3.6/834=2 HE3 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.6-27.4 HE2 LYS 31 - HB2 LYS 24 far 5 100 5 - 6.9-18.8 HE2 LYS 26 - HB2 LYS 19 far 5 100 5 - 6.8-24.3 HE3 LYS 19 - HB2 LYS 31 far 5 99 5 - 7.1-27.9 HE3 LYS 31 - HB2 LYS 24 far 5 98 5 - 6.7-18.7 HE3 LYS 24 - HB2 LYS 31 far 5 91 5 - 5.8-20.7 HE3 LYS 36 - HB2 LYS 26 lone 4 100 25 17 4.9-22.7 10721/10748=3 HB2 CYS 45 - HB2 LYS 26 far 3 65 5 - 7.3-23.2 HE2 LYS 19 - HB2 LYS 31 far 0 99 0 - 7.3-27.5 HB3 ASN 116 - HB2 LYS 24 far 0 60 0 - 7.9-33.7 HE3 LYS 26 - HB2 LYS 19 far 0 100 0 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 0 99 0 - 8.2-24.9 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 99 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 62 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 65 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 92 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 33 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 62 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 65 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 52 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 616 from aliabs.peaks (4.27, 1.81, 32.59 ppm; 3.58 A): 8 out of 82 assignments used, quality = 1.00: * HA LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.3-2.7 3.0=100 HA LYS 36 + HB2 LYS 36 OK 67 67 100 100 2.2-3.0 3.0=100 HA GLN 27 + HB3 LYS 26 OK 47 81 60 96 4.1-5.6 3.0/6263=60, ~6262=35...(25) HA THR 25 + HB3 LYS 24 OK 34 78 45 96 4.2-6.5 3.0/6233=51, ~6232=29...(23) HA LYS 26 + HB3 LYS 31 OK 29 100 40 72 2.7-15.0 790/1.8=6, 798/4.6=6...(40) HA LYS 31 + HB3 LYS 26 OK 21 100 25 84 4.4-15.8 6342/820=7, 3.0/6332=6...(109) HA ARG 23 - HB3 LYS 24 poor 19 97 30 66 4.4-6.2 424/4.1=45, 6240/6233=15...(12) HA ARG 23 - HB3 LYS 19 far 14 91 15 - 4.3-14.0 HA ALA 21 - HB3 LYS 24 poor 13 65 20 - 3.5-10.5 HA LYS 19 - HB3 LYS 24 poor 13 100 35 37 2.0-13.2 822/2.9=4, 241/2.9=3...(16) HA LEU 22 - HB3 LYS 24 poor 13 100 45 28 4.2-7.6 6212/4.1=9, 11967/2.9=4...(9) HA THR 18 - HB3 LYS 24 far 9 94 10 - 4.0-14.9 HA THR 25 - HB3 LYS 31 far 8 77 10 - 2.7-15.0 HA LYS 19 - HB3 LYS 31 far 5 99 5 - 3.9-25.7 HA ALA 109 - HB3 LYS 26 far 5 98 5 - 5.0-34.1 HA ALA 16 - HB3 LYS 31 far 5 98 5 - 3.3-26.4 HA ARG 23 - HB3 LYS 26 lone 5 97 30 16 2.0-11.3 424/6251=4, 6240/511=2...(4) HA GLN 61 - HB3 LYS 26 far 5 97 5 - 4.1-24.5 HA ARG 23 - HB3 LYS 31 far 5 96 5 - 4.2-18.6 HA LYS 26 - HB3 LYS 19 far 5 96 5 - 5.0-20.0 HA LYS 31 - HB3 LYS 19 far 5 95 5 - 4.5-26.9 HA ALA 15 - HB3 LYS 31 far 5 95 5 - 4.8-24.3 HA THR 18 - HB3 LYS 31 far 5 93 5 - 2.8-25.1 HA ALA 16 - HB3 LYS 19 far 5 93 5 - 4.1-11.3 HA ALA 21 - HB2 LYS 36 far 5 46 10 - 4.2-30.8 HA LYS 36 - HB3 LYS 24 far 5 90 5 - 4.3-28.6 HA ALA 15 - HB3 LYS 19 far 4 90 5 - 3.1-13.8 HA ALA 110 - HB3 LYS 19 far 4 83 5 - 5.0-51.4 HA ALA 12 - HB3 LYS 19 far 4 81 5 - 4.1-19.2 HA GLN 27 - HB3 LYS 24 far 4 80 5 - 4.9-11.9 HA THR 25 - HB3 LYS 26 far 4 78 5 - 4.7-6.6 HA THR 25 - HB3 LYS 19 far 4 71 5 - 4.2-18.3 HA GLN 27 - HB2 LYS 36 far 3 58 5 - 4.4-21.6 HA GLN 27 - HB3 LYS 31 far 0 79 0 - 5.1-11.6 HA ALA 21 - HB3 LYS 19 far 0 58 0 - 5.1-9.1 HA ALA 28 - HB3 LYS 19 far 0 66 0 - 5.2-22.5 HA LYS 31 - HB2 LYS 36 far 0 81 0 - 5.5-14.2 HA LYS 19 - HB3 LYS 26 far 0 100 0 - 5.6-21.5 HA THR 18 - HB3 LYS 19 far 0 87 0 - 5.6-6.6 HA ALA 28 - HB3 LYS 24 far 0 73 0 - 5.6-14.0 HA ALA 108 - HB3 LYS 26 far 0 98 0 - 5.7-32.7 HA ALA 110 - HB3 LYS 26 far 0 90 0 - 5.7-35.3 HA THR 18 - HB2 LYS 36 far 0 72 0 - 5.7-36.4 HA THR 25 - HB2 LYS 36 far 0 56 0 - 5.9-25.6 HA ALA 15 - HB3 LYS 24 far 0 96 0 - 5.9-19.8 HA ALA 12 - HB3 LYS 31 far 0 87 0 - 6.0-26.6 HA LYS 26 - HB3 LYS 24 far 0 100 0 - 6.1-8.8 HA LEU 22 - HB3 LYS 26 far 0 100 0 - 6.3-13.3 HA LEU 22 - HB3 LYS 19 far 0 95 0 - 6.5-9.9 HA ARG 23 - HB2 LYS 36 far 0 76 0 - 6.5-28.2 HA ALA 15 - HB3 LYS 26 far 0 97 0 - 6.6-24.8 HA LYS 36 - HB3 LYS 31 far 0 89 0 - 6.7-16.3 HA ALA 28 - HB3 LYS 26 far 0 73 0 - 6.7-9.1 HA GLN 27 - HB3 LYS 19 far 0 73 0 - 6.8-21.6 HA ALA 28 - HB3 LYS 31 far 0 72 0 - 6.8-9.8 HA LYS 36 - HB3 LYS 26 far 0 90 0 - 6.9-25.7 HA LEU 22 - HB2 LYS 36 far 0 80 0 - 7.2-31.8 HA LYS 26 - HB2 LYS 36 far 0 81 0 - 7.2-24.7 HA ALA 16 - HB3 LYS 24 far 0 99 0 - 7.3-17.7 HA ALA 21 - HB3 LYS 26 far 0 65 0 - 7.3-15.2 HA ALA 21 - HB3 LYS 31 far 0 64 0 - 7.4-19.9 HA ALA 12 - HB3 LYS 24 far 0 89 0 - 7.6-23.5 HA THR 18 - HB3 LYS 26 far 0 95 0 - 7.6-20.1 HA LYS 31 - HB3 LYS 24 far 0 100 0 - 7.6-18.1 HA GLN 61 - HB3 LYS 31 far 0 95 0 - 7.6-24.0 HA GLN 61 - HB3 LYS 24 far 0 96 0 - 7.7-24.4 HA ALA 108 - HB3 LYS 24 far 0 98 0 - 7.7-37.7 HA LEU 22 - HB3 LYS 31 far 0 99 0 - 7.9-19.7 HA LYS 19 - HB2 LYS 36 far 0 80 0 - 7.9-35.2 HA ALA 109 - HB3 LYS 19 far 0 92 0 - 8.0-50.5 HA ALA 109 - HB3 LYS 24 far 0 98 0 - 8.3-39.9 HA ALA 15 - HB2 LYS 36 far 0 74 0 - 8.6-31.8 HA LYS 36 - HB3 LYS 19 far 0 83 0 - 8.6-35.4 HA GLN 61 - HB3 LYS 19 far 0 90 0 - 8.7-30.4 HA ALA 16 - HB3 LYS 26 far 0 99 0 - 8.8-24.5 HA ALA 108 - HB3 LYS 31 far 0 97 0 - 9.1-32.9 HA ALA 28 - HB2 LYS 36 far 0 52 0 - 9.1-19.3 HA ALA 16 - HB2 LYS 36 far 0 78 0 - 9.2-35.2 HA ALA 108 - HB3 LYS 19 far 0 92 0 - 9.5-48.5 HA SER 74 - HB3 LYS 31 far 0 81 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 617 from aliabs.peaks (1.75, 1.81, 32.59 ppm; 2.50 A): 4 out of 27 assignments used, quality = 1.00: * HB2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 LYS 19 + HB3 LYS 19 OK 95 95 100 100 1.8-1.8 1.8=100 HB2 LYS 24 - HB3 LYS 19 far 14 96 15 - 1.9-15.0 HB2 LYS 26 - HB3 LYS 31 poor 14 100 35 41 1.9-14.9 251=3, 799/6332=3...(26) HB2 ARG 23 - HB3 LYS 26 far 10 99 10 - 2.4-12.4 HB2 LYS 31 - HB3 LYS 26 poor 9 100 25 38 2.0-14.1 6331/6332=3, 639/3.0=2...(11) HB2 LYS 19 - HB3 LYS 26 far 5 100 5 - 3.6-22.7 HB2 LYS 19 - HB3 LYS 31 far 5 99 5 - 1.9-25.4 HB2 ARG 23 - HB3 LYS 31 far 5 98 5 - 3.6-20.4 HB2 LYS 24 - HB2 LYS 36 far 4 81 5 - 3.3-29.5 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 4.0-14.4 HB2 LYS 26 - HB3 LYS 19 far 0 96 0 - 4.5-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 99 0 - 4.7-7.6 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 4.7-10.3 HB2 LYS 31 - HB3 LYS 19 far 0 95 0 - 4.8-27.2 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 4.9-18.1 HB2 LYS 26 - HB2 LYS 36 far 0 81 0 - 5.0-25.1 HB2 ARG 23 - HB3 LYS 19 far 0 93 0 - 5.1-13.2 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 5.2-10.9 HB2 ARG 23 - HB2 LYS 36 far 0 78 0 - 5.9-26.6 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.1-18.4 HB2 LYS 31 - HB2 LYS 36 far 0 81 0 - 6.2-14.4 HG LEU 100 - HB3 LYS 26 far 0 63 0 - 7.7-21.8 HB2 LYS 19 - HB2 LYS 36 far 0 81 0 - 9.5-34.1 HG LEU 100 - HB3 LYS 24 far 0 63 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 618 from aliabs.peaks (1.81, 1.81, 32.59 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 LYS 26 + HB3 LYS 26 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 99 99 - 100 HB3 LYS 19 + HB3 LYS 19 OK 93 93 - 100 HB2 LYS 36 + HB2 LYS 36 OK 81 81 - 100 Peak 619 from aliabs.peaks (1.43, 1.81, 32.59 ppm; 3.75 A): 8 out of 33 assignments used, quality = 1.00: * HG2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 93 93 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 89 89 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HB3 LYS 31 OK 67 67 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HB2 LYS 36 OK 44 44 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 31 OK 37 100 40 93 2.5-17.3 629=10, 628/1.8=7...(93) HG13 ILE 32 + HB2 LYS 36 OK 30 81 40 94 4.1-11.8 ~10810=28, ~10899=28...(34) HG2 LYS 31 + HB3 LYS 26 OK 21 68 35 90 3.6-16.1 1.8/835=4, 629=4, ~834=3...(123) HG3 LYS 24 - HB3 LYS 19 poor 17 81 30 70 2.0-15.5 284=4, 282/3.0=3...(23) HG13 ILE 32 - HB3 LYS 26 poor 17 100 25 66 2.3-13.7 6264/6263=9, 1.8/913=9...(24) HG13 ILE 32 - HB3 LYS 31 far 15 99 15 - 3.7-7.2 HG3 LYS 19 - HB3 LYS 24 far 10 99 10 - 3.9-16.0 HG2 LYS 26 - HB2 LYS 36 far 8 81 10 - 4.0-27.3 HG3 LYS 19 - HB3 LYS 31 far 5 98 5 - 4.5-27.7 QB ALA 34 - HB3 LYS 24 far 5 90 5 - 4.6-20.2 HG3 LYS 24 - HB3 LYS 26 far 4 89 5 - 3.6-11.7 HG3 LYS 24 - HB3 LYS 31 far 4 87 5 - 5.0-17.6 HG2 LYS 31 - HB3 LYS 24 far 3 68 5 - 4.5-18.4 HG3 LYS 36 - HB3 LYS 24 far 3 63 5 - 3.5-27.2 HG3 LYS 36 - HB3 LYS 26 far 3 63 5 - 5.1-23.3 HG2 LYS 31 - HB3 LYS 19 far 3 61 5 - 4.2-25.3 HG2 LYS 31 - HB2 LYS 36 far 2 48 5 - 3.7-16.4 HG13 ILE 32 - HB3 LYS 24 far 0 100 0 - 5.3-17.6 QB ALA 34 - HB2 LYS 36 far 0 67 0 - 5.3-7.2 HG2 LYS 26 - HB3 LYS 24 far 0 100 0 - 5.5-11.9 HG3 LYS 24 - HB2 LYS 36 far 0 66 0 - 5.5-27.7 HG3 LYS 19 - HB3 LYS 26 far 0 99 0 - 5.6-24.0 HG3 LYS 36 - HB3 LYS 31 far 0 61 0 - 6.0-13.7 HG2 LYS 26 - HB3 LYS 19 far 0 96 0 - 6.8-23.3 QB ALA 34 - HB3 LYS 26 far 0 90 0 - 7.5-18.8 HG3 LYS 36 - HB3 LYS 19 far 0 56 0 - 8.3-32.7 HG13 ILE 32 - HB3 LYS 19 far 0 95 0 - 8.3-24.4 QB ALA 34 - HB3 LYS 31 far 0 89 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 620 from aliabs.peaks (1.38, 1.81, 32.59 ppm; 3.59 A): 7 out of 65 assignments used, quality = 1.00: * HG3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HB3 LYS 19 OK 90 90 100 100 2.5-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 34 100 40 86 2.2-16.3 1.8/629=8, 640=7...(77) HG3 LYS 31 + HB3 LYS 26 OK 31 100 35 90 3.3-14.9 835=5, 1.8/284=4...(110) HG2 LYS 24 - HB3 LYS 19 poor 19 95 20 - 2.0-15.9 QB ALA 15 - HB3 LYS 31 far 15 100 15 - 2.6-21.8 QB ALA 28 - HB3 LYS 31 far 15 99 15 - 4.8-8.0 HG2 LYS 19 - HB3 LYS 24 far 14 96 15 - 3.4-16.0 QB ALA 15 - HB3 LYS 19 far 14 96 15 - 4.0-12.6 QB ALA 110 - HB3 LYS 26 far 5 100 5 - 3.1-29.9 QB ALA 29 - HB3 LYS 24 far 5 100 5 - 2.6-12.1 QB ALA 108 - HB3 LYS 26 far 5 100 5 - 3.5-26.4 QB ALA 15 - HB3 LYS 24 far 5 100 5 - 4.1-15.5 HG2 LYS 24 - HB3 LYS 26 far 5 100 5 - 2.9-11.3 HG2 LYS 36 - HB3 LYS 24 far 5 100 5 - 4.9-26.5 HG3 LYS 31 - HB3 LYS 24 far 5 100 5 - 4.8-17.7 QB ALA 16 - HB3 LYS 31 far 5 96 5 - 3.6-22.8 HG2 LYS 19 - HB3 LYS 31 far 5 95 5 - 4.7-26.5 HG3 LYS 31 - HB3 LYS 19 far 5 95 5 - 3.7-24.3 QB ALA 16 - HB3 LYS 19 far 5 91 5 - 4.9-10.4 HG3 LYS 26 - HB2 LYS 36 far 4 81 5 - 4.6-27.1 QB ALA 29 - HB2 LYS 36 far 4 80 5 - 5.0-13.4 HG3 LYS 31 - HB2 LYS 36 far 4 80 5 - 3.8-16.2 QB ALA 12 - HB3 LYS 31 far 4 77 5 - 3.4-20.9 QB ALA 12 - HB3 LYS 19 far 4 71 5 - 1.9-16.7 QB ALA 28 - HB3 LYS 24 lone 1 100 25 6 3.3-12.8 6234/6233=2, 10790=1 QB ALA 28 - HB3 LYS 19 far 0 95 0 - 5.1-20.6 QB ALA 110 - HB3 LYS 19 far 0 96 0 - 5.1-43.2 HG2 LYS 24 - HB3 LYS 31 far 0 99 0 - 5.1-19.1 QB ALA 108 - HB3 LYS 24 far 0 100 0 - 5.2-30.4 QB ALA 28 - HB3 LYS 26 far 0 100 0 - 5.2-7.7 QB ALA 29 - HB3 LYS 26 far 0 100 0 - 5.3-9.5 HG3 LYS 26 - HB3 LYS 24 far 0 100 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 80 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 100 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 99 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 99 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 99 0 - 5.9-8.3 QB ALA 16 - HB3 LYS 24 far 0 97 0 - 6.0-15.3 HG2 LYS 19 - HB3 LYS 26 far 0 97 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 100 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 94 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 95 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 78 0 - 6.5-10.8 QB ALA 16 - HB2 LYS 36 far 0 76 0 - 6.6-28.2 HG2 LYS 95 - HB3 LYS 24 far 0 99 0 - 6.7-33.3 HG2 LYS 36 - HB3 LYS 26 far 0 100 0 - 6.8-22.9 QB ALA 12 - HB3 LYS 24 far 0 78 0 - 6.9-17.9 QB ALA 16 - HB3 LYS 26 far 0 97 0 - 7.0-20.5 HG3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 81 0 - 7.4-28.2 HG2 LYS 36 - HB3 LYS 31 far 0 100 0 - 7.5-13.3 QB ALA 28 - HB2 LYS 36 far 0 80 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 96 0 - 8.2-32.7 QB ALA 12 - HB3 LYS 26 far 0 78 0 - 8.2-20.8 QB ALA 108 - HB3 LYS 31 far 0 99 0 - 8.5-26.6 QB ALA 110 - HB3 LYS 24 far 0 100 0 - 9.1-35.2 HB3 LEU 100 - HB3 LYS 26 far 0 99 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 74 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 95 0 - 9.7-39.7 QB ALA 12 - HB2 LYS 36 far 0 56 0 - 9.8-26.6 QB ALA 109 - HB3 LYS 31 far 0 99 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 621 from aliabs.peaks (1.66, 1.81, 32.59 ppm; 4.30 A): 16 out of 55 assignments used, quality = 1.00: * HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-4.1 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.5-4.2 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 92 92 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 90 90 100 100 2.1-3.7 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.1-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 80 80 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 39 100 40 97 2.9-17.3 2.9/629=8, 2.9/640=5...(150) HD3 LYS 26 + HB3 LYS 31 OK 38 99 40 96 3.4-17.4 2.9/629=8, 6336/6332=6...(116) HD2 LYS 24 + HB3 LYS 19 OK 31 95 35 92 2.0-16.0 3.0/824=3, 3.0/835=3...(124) HD2 LYS 31 + HB3 LYS 26 OK 29 100 30 98 4.2-14.4 10771/10769=16...(201) HD3 LYS 24 + HB3 LYS 19 OK 29 94 35 87 3.5-15.3 3.0/824=3, 3.0/835=3...(91) HD3 LYS 31 + HB3 LYS 26 OK 25 100 25 98 4.5-14.4 10771/10769=13...(203) HD3 LYS 19 - HB3 LYS 24 poor 19 96 20 - 2.0-16.3 HD2 LYS 26 - HB2 LYS 36 poor 16 81 20 - 5.1-27.9 HD2 LYS 19 - HB3 LYS 24 poor 13 98 25 52 3.7-15.7 305/1.8=1, 5.2/596=1...(4) HD3 LYS 26 - HB2 LYS 36 poor 12 80 25 58 4.4-27.1 ~1004=5, ~1003=5...(21) HD3 LYS 36 - HB3 LYS 24 far 10 100 10 - 5.5-25.2 HD2 LYS 36 - HB3 LYS 24 far 5 100 5 - 4.2-24.7 HD2 LYS 24 - HB3 LYS 26 far 5 100 5 - 5.1-12.6 HD2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.4-17.9 HD3 LYS 24 - HB3 LYS 26 far 5 99 5 - 3.7-12.3 HD2 LYS 19 - HB3 LYS 31 far 5 97 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 95 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 5 94 5 - 5.2-34.1 HD2 LYS 24 - HB2 LYS 36 far 4 81 5 - 5.7-27.6 HD2 LYS 31 - HB2 LYS 36 far 4 80 5 - 5.0-15.5 HD3 LYS 31 - HB2 LYS 36 far 0 81 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 96 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 100 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 95 0 - 6.0-24.2 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 96 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 100 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 77 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 95 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 99 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 99 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 79 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 97 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 99 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 98 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 99 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 100 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 95 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 100 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 67 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 98 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 97 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 83 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 622 from aliabs.peaks (1.66, 1.81, 32.59 ppm; 4.29 A): 15 out of 55 assignments used, quality = 1.00: * HD3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-4.1 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 98 98 100 100 2.5-4.2 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.5-4.2 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 89 89 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 86 86 100 100 2.1-3.7 3.9=100 HD2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.1-4.0 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 39 99 40 97 2.9-17.3 2.9/629=8, 2.9/640=5...(149) HD3 LYS 26 + HB3 LYS 31 OK 38 100 40 96 3.4-17.4 2.9/629=8, 6336/6332=6...(115) HD2 LYS 24 + HB3 LYS 19 OK 31 96 35 92 2.0-16.0 3.0/824=3, 3.0/835=3...(124) HD2 LYS 31 + HB3 LYS 26 OK 29 99 30 98 4.2-14.4 10771/10769=16...(201) HD3 LYS 24 + HB3 LYS 19 OK 28 92 35 87 3.5-15.3 3.0/824=3, 3.0/835=3...(91) HD3 LYS 31 - HB3 LYS 26 poor 20 100 20 - 4.5-14.4 HD2 LYS 19 - HB3 LYS 24 poor 19 96 20 - 3.7-15.7 HD3 LYS 19 - HB3 LYS 24 poor 19 93 20 - 2.0-16.3 HD2 LYS 26 - HB2 LYS 36 poor 16 80 20 - 5.1-27.9 HD3 LYS 26 - HB2 LYS 36 poor 12 81 25 58 4.4-27.1 ~1004=5, ~1003=5...(21) HD3 LYS 36 - HB3 LYS 24 far 10 100 10 - 5.5-25.2 HD2 LYS 36 - HB3 LYS 24 far 5 100 5 - 4.2-24.7 HD2 LYS 24 - HB3 LYS 26 far 5 100 5 - 5.1-12.6 HD2 LYS 31 - HB3 LYS 24 far 5 99 5 - 5.4-17.9 HD3 LYS 24 - HB3 LYS 26 far 5 98 5 - 3.7-12.3 HD2 LYS 19 - HB3 LYS 31 far 5 94 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 5 92 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 5 90 5 - 5.2-34.1 HD2 LYS 24 - HB2 LYS 36 far 4 81 5 - 5.7-27.6 HD2 LYS 31 - HB2 LYS 36 far 4 78 5 - 5.0-15.5 HD3 LYS 31 - HB2 LYS 36 far 0 80 0 - 5.9-14.3 HD3 LYS 31 - HB3 LYS 19 far 0 95 0 - 5.9-24.7 HD3 LYS 36 - HB3 LYS 26 far 0 100 0 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 0 93 0 - 6.0-24.2 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 95 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 100 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 73 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 96 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 100 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 97 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 77 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 93 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 100 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 96 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 100 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 100 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 90 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 99 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 62 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 96 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 94 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 89 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 623 from aliabs.peaks (2.96, 1.81, 32.59 ppm; 6.08 A): 20 out of 53 assignments used, quality = 1.00: * HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.1 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.0 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 96 96 100 100 2.8-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 95 95 100 100 2.3-4.8 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 3.3-4.7 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 54 100 55 99 2.2-19.2 3.6/629=9, 6338/6332=8...(162) HE3 LYS 26 + HB3 LYS 31 OK 54 99 55 98 3.3-19.0 3.6/629=9, 6338/6332=8...(158) HE2 LYS 31 + HB3 LYS 26 OK 42 100 45 94 3.9-12.8 3.7/1019=7, 3.7/835=6...(130) HE2 LYS 26 + HB2 LYS 36 OK 39 81 55 87 2.4-29.4 1004/1.8=14, ~1004=11...(50) HE3 LYS 24 + HB3 LYS 19 OK 38 89 45 95 3.9-16.9 11770/3.0=4, 4.0/526=4...(150) HE3 LYS 31 + HB3 LYS 26 OK 37 99 40 94 4.4-13.0 3.7/1019=7, 3.7/835=6...(131) HE2 LYS 24 + HB3 LYS 19 OK 31 94 35 96 2.6-16.3 ~1228=5, ~1217=5...(150) HE3 LYS 26 + HB2 LYS 36 OK 30 80 45 83 2.6-28.9 1003/1.8=14, ~1004=12...(30) HE3 LYS 19 + HB3 LYS 24 OK 26 100 35 73 4.6-17.1 1025/2.9=2, 6.4/596=2...(74) HE2 LYS 19 + HB3 LYS 24 OK 24 100 30 78 3.5-17.2 613/1.8=2, 1025/2.9=2...(80) HE2 LYS 36 - HB3 LYS 26 poor 20 100 20 - 4.2-22.7 HE3 LYS 31 - HB2 LYS 36 poor 16 79 20 - 5.6-14.2 HE2 LYS 24 - HB3 LYS 31 far 15 99 15 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 14 100 45 31 4.9-14.1 6337/6332=3...(3) HE2 LYS 36 - HB3 LYS 24 far 10 100 10 - 3.5-25.9 HE2 LYS 24 - HB3 LYS 26 far 10 99 10 - 5.2-13.2 HE3 LYS 24 - HB3 LYS 26 far 10 96 10 - 6.0-13.6 HE2 LYS 36 - HB3 LYS 31 poor 9 100 25 34 5.3-14.3 10813/10751=3, 6337/6332=2 HE3 LYS 36 - HB3 LYS 26 poor 6 100 25 23 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 26 - HB3 LYS 24 lone 5 100 35 14 5.5-13.1 HE3 LYS 36 - HB3 LYS 24 far 5 100 5 - 5.2-26.7 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.8-26.9 HE3 LYS 19 - HB3 LYS 31 far 5 99 5 - 6.2-27.1 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.6-18.3 HE2 LYS 26 - HB3 LYS 19 far 5 96 5 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 5 96 5 - 6.5-26.1 HE3 LYS 24 - HB3 LYS 31 far 5 94 5 - 6.7-20.0 HE3 LYS 31 - HB3 LYS 19 far 5 94 5 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 24 lone 4 100 25 18 4.8-12.9 9587/985=1 HE2 LYS 24 - HB2 LYS 36 far 4 79 5 - 6.1-29.9 HB2 CYS 45 - HB3 LYS 26 far 4 73 5 - 7.5-24.2 HE3 LYS 24 - HB2 LYS 36 far 4 73 5 - 7.5-29.6 HB2 CYS 45 - HB2 LYS 36 lone 3 52 50 12 1.8-11.9 10889/10749=3...(6) HE2 LYS 31 - HB2 LYS 36 lone 2 81 25 10 6.2-12.8 10721/10898=4, 10804/929=3 HE3 LYS 26 - HB3 LYS 19 far 0 95 0 - 7.6-23.7 HE2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 0 100 0 - 8.0-25.2 HB3 ASN 116 - HB3 LYS 24 far 0 68 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 100 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 87 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 72 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 96 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 66 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 624 from aliabs.peaks (2.96, 1.81, 32.59 ppm; 6.06 A): 20 out of 53 assignments used, quality = 1.00: * HE3 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.2 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 98 98 100 100 2.0-5.1 5.1=100 HE3 LYS 31 + HB3 LYS 31 OK 97 97 100 100 2.0-5.0 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 94 94 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 94 94 100 100 2.3-4.8 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 92 92 100 100 2.8-5.3 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 81 81 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 81 81 100 100 3.3-4.7 4.9=100 HE3 LYS 26 + HB3 LYS 31 OK 54 100 55 98 3.3-19.0 3.6/629=9, 6338/6332=8...(158) HE2 LYS 26 + HB3 LYS 31 OK 54 99 55 98 2.2-19.2 3.6/629=9, 6338/6332=8...(162) HE2 LYS 31 + HB3 LYS 26 OK 42 100 45 94 3.9-12.8 3.7/1019=7, 3.7/835=6...(130) HE2 LYS 26 + HB2 LYS 36 OK 39 80 55 87 2.4-29.4 1004/1.8=14, ~1004=11...(50) HE3 LYS 31 + HB3 LYS 26 OK 37 98 40 94 4.4-13.0 3.7/1019=7, 3.7/835=6...(131) HE3 LYS 24 + HB3 LYS 19 OK 36 84 45 94 3.9-16.9 11770/3.0=4, 4.0/526=4...(150) HE2 LYS 24 + HB3 LYS 19 OK 31 92 35 96 2.6-16.3 ~1228=5, ~1217=5...(150) HE3 LYS 26 + HB2 LYS 36 OK 30 81 45 83 2.6-28.9 1003/1.8=14, ~1004=12...(30) HE3 LYS 19 + HB3 LYS 24 OK 25 99 35 73 4.6-17.1 1025/2.9=2, 6.4/596=2...(72) HE2 LYS 19 + HB3 LYS 24 OK 23 99 30 78 3.5-17.2 613/1.8=2, 1025/2.9=2...(79) HE2 LYS 36 - HB3 LYS 26 poor 20 100 20 - 4.2-22.7 HE3 LYS 31 - HB2 LYS 36 poor 15 77 20 - 5.6-14.2 HE2 LYS 24 - HB3 LYS 31 far 15 97 15 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 12 99 40 30 4.9-14.1 6337/6332=3...(3) HE2 LYS 36 - HB3 LYS 24 far 10 100 10 - 3.5-25.9 HE2 LYS 24 - HB3 LYS 26 far 10 98 10 - 5.2-13.2 HE3 LYS 24 - HB3 LYS 26 far 9 92 10 - 6.0-13.6 HE2 LYS 36 - HB3 LYS 31 poor 9 99 25 34 5.3-14.3 10813/10751=3, 6337/6332=2 HE3 LYS 36 - HB3 LYS 26 poor 6 100 25 23 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 26 - HB3 LYS 24 lone 5 100 35 14 5.5-13.1 HE3 LYS 36 - HB3 LYS 24 far 5 100 5 - 5.2-26.7 HE2 LYS 19 - HB3 LYS 31 far 5 99 5 - 5.8-26.9 HE3 LYS 19 - HB3 LYS 31 far 5 99 5 - 6.2-27.1 HE2 LYS 26 - HB3 LYS 19 far 5 95 5 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 5 95 5 - 6.5-26.1 HE3 LYS 31 - HB3 LYS 19 far 5 92 5 - 7.4-27.0 HE3 LYS 24 - HB3 LYS 31 far 5 90 5 - 6.7-20.0 HE3 LYS 26 - HB3 LYS 24 lone 4 100 25 18 4.8-12.9 9587/985=1 HE2 LYS 24 - HB2 LYS 36 far 4 77 5 - 6.1-29.9 HE3 LYS 24 - HB2 LYS 36 far 3 69 5 - 7.5-29.6 HB2 CYS 45 - HB3 LYS 26 far 3 65 5 - 7.5-24.2 HB2 CYS 45 - HB2 LYS 36 lone 3 46 50 12 1.8-11.9 10889/10749=2...(6) HE2 LYS 31 - HB2 LYS 36 lone 2 80 25 10 6.2-12.8 10721/10898=4, 10804/929=3 HE3 LYS 31 - HB3 LYS 24 far 0 98 0 - 7.6-18.3 HE3 LYS 26 - HB3 LYS 19 far 0 96 0 - 7.6-23.7 HE2 LYS 31 - HB3 LYS 24 far 0 100 0 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.0-25.2 HB3 ASN 116 - HB3 LYS 24 far 0 60 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 92 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 64 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 95 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 58 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 627 from aliabs.peaks (4.27, 1.43, 24.54 ppm; 3.88 A): 3 out of 51 assignments used, quality = 1.00: * HA LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.3-4.1 4.0=88, 2.9/6252=64...(31) HA LYS 19 + HG3 LYS 19 OK 96 97 100 100 2.6-4.0 4.2=81, 3.0/6152=44...(40) HA THR 25 + HG2 LYS 26 OK 33 78 45 92 4.4-7.2 3.6/6252=55...(25) HA GLN 27 - HG2 LYS 26 poor 19 81 25 95 3.0-6.8 3.0/6264=33, ~6262=27...(27) HA THR 18 - HG3 LYS 19 poor 18 89 20 - 5.2-7.2 HA THR 25 - HG3 LYS 24 poor 16 46 35 - 3.0-7.0 HA LYS 19 - HG3 LYS 24 poor 16 67 40 59 1.9-15.2 597=6, 241/1.8=5...(19) HA LYS 31 - HG2 LYS 26 far 15 100 15 - 4.3-17.0 HA ALA 12 - HG3 LYS 19 far 12 83 15 - 5.2-19.0 HA ALA 21 - HG3 LYS 24 poor 9 37 25 - 2.9-11.0 HA ARG 23 - HG2 LYS 26 poor 9 97 30 31 1.9-10.9 424/6252=4, 6240/6235=3...(11) HA LEU 22 - HG3 LYS 24 poor 8 67 30 38 4.0-9.2 6212/6223=10, 375/821=6...(9) HA ARG 23 - HG3 LYS 24 far 6 63 10 - 4.1-7.1 HA LEU 22 - HG2 LYS 26 far 5 100 5 - 4.9-13.9 HA ALA 109 - HG2 LYS 26 far 5 98 5 - 4.3-33.1 HA GLN 61 - HG2 LYS 26 far 5 97 5 - 1.9-24.5 HA LYS 26 - HG3 LYS 19 far 5 97 5 - 5.3-21.7 HA LYS 31 - HG3 LYS 19 far 5 97 5 - 4.9-27.9 HA ALA 16 - HG3 LYS 19 far 5 94 5 - 5.0-11.8 HA LYS 36 - HG2 LYS 26 far 5 90 5 - 4.1-27.7 HA THR 25 - HG3 LYS 19 far 4 72 5 - 5.1-20.2 HA ALA 15 - HG3 LYS 24 far 3 62 5 - 5.0-22.0 HA THR 18 - HG3 LYS 24 far 3 59 5 - 3.7-15.7 HA ALA 15 - HG3 LYS 19 lone 0 92 25 1 3.0-14.8 HA GLN 27 - HG3 LYS 24 far 0 48 0 - 5.4-13.3 HA LYS 26 - HG3 LYS 24 far 0 68 0 - 5.5-9.6 HA ALA 28 - HG3 LYS 24 far 0 42 0 - 5.5-13.3 HA ALA 108 - HG3 LYS 24 far 0 64 0 - 5.6-39.9 HA LYS 31 - HG3 LYS 24 far 0 68 0 - 6.1-18.0 HA ALA 108 - HG2 LYS 26 far 0 98 0 - 6.4-30.9 HA ALA 110 - HG2 LYS 26 far 0 90 0 - 6.5-34.3 HA ARG 23 - HG3 LYS 19 far 0 93 0 - 6.5-15.5 HA ALA 28 - HG2 LYS 26 far 0 73 0 - 6.6-9.5 HA LYS 36 - HG3 LYS 24 far 0 55 0 - 6.7-27.7 HA ALA 21 - HG2 LYS 26 far 0 65 0 - 6.9-16.4 HA ALA 16 - HG3 LYS 24 far 0 65 0 - 7.1-19.8 HA ALA 28 - HG3 LYS 19 far 0 68 0 - 7.5-22.4 HA LEU 22 - HG3 LYS 19 far 0 97 0 - 7.6-11.9 HA LYS 19 - HG2 LYS 26 far 0 100 0 - 7.6-22.5 HA ALA 109 - HG3 LYS 24 far 0 64 0 - 7.6-42.1 HA ALA 110 - HG3 LYS 19 far 0 85 0 - 7.6-53.8 HA ALA 21 - HG3 LYS 19 far 0 60 0 - 7.7-10.2 HA LYS 36 - HG3 LYS 19 far 0 85 0 - 8.1-37.0 HA ALA 109 - HG3 LYS 19 far 0 94 0 - 8.5-52.9 HA GLN 61 - HG3 LYS 24 far 0 62 0 - 8.6-24.5 HA ALA 15 - HG2 LYS 26 far 0 97 0 - 8.6-26.7 HA GLN 61 - HG3 LYS 19 far 0 92 0 - 8.6-32.8 HA ALA 12 - HG3 LYS 24 far 0 54 0 - 8.7-22.6 HA GLN 27 - HG3 LYS 19 far 0 75 0 - 9.1-22.4 HA ALA 108 - HG3 LYS 19 far 0 94 0 - 9.7-51.0 HA ALA 110 - HG3 LYS 24 far 0 55 0 - 9.8-43.9 Violated in 0 structures by 0.00 A. Peak 628 from aliabs.peaks (1.75, 1.43, 24.54 ppm; 3.47 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 19 + HG3 LYS 19 OK 97 97 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 68 68 100 100 2.2-3.0 2.9=100 HB2 LYS 31 + HG2 LYS 26 OK 26 100 30 86 1.9-15.6 1.8/629=7, 639/1.8=6...(65) HB2 LYS 19 - HG3 LYS 24 poor 17 68 25 - 3.6-16.4 HB2 ARG 23 - HG2 LYS 26 poor 7 99 25 29 2.9-13.2 433/6252=3, 3.0/627=2...(7) HB2 LYS 24 - HG3 LYS 19 far 5 97 5 - 2.7-16.0 HB2 LYS 31 - HG3 LYS 19 far 5 97 5 - 4.6-28.5 HB2 LYS 26 - HG3 LYS 24 far 3 68 5 - 2.9-11.4 HB2 LYS 24 - HG2 LYS 26 far 0 100 0 - 5.2-11.5 HB2 ARG 23 - HG3 LYS 24 far 0 65 0 - 5.7-8.6 HB2 LYS 26 - HG3 LYS 19 far 0 97 0 - 6.0-24.0 HB2 LYS 19 - HG2 LYS 26 far 0 100 0 - 6.0-23.9 HB2 LYS 31 - HG3 LYS 24 far 0 68 0 - 6.7-18.1 HB2 ARG 23 - HG3 LYS 19 far 0 95 0 - 7.5-15.3 HG LEU 100 - HG2 LYS 26 far 0 63 0 - 9.3-23.0 HB2 LYS 39 - HG3 LYS 24 far 0 54 0 - 9.7-30.3 HB2 LYS 39 - HG3 LYS 19 far 0 83 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 629 from aliabs.peaks (1.81, 1.43, 24.54 ppm; 3.33 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 68 68 100 100 2.2-3.0 2.9=100 HB3 LYS 31 + HG2 LYS 26 OK 28 100 35 79 2.5-17.3 1.8/628=6, 619=5...(54) HB3 ARG 23 - HG2 LYS 26 poor 20 100 20 - 2.0-12.6 HB3 LYS 19 - HG3 LYS 24 poor 19 65 30 - 2.0-15.5 HB2 LYS 36 - HG2 LYS 26 far 10 100 10 - 4.0-27.3 HB ILE 32 - HG2 LYS 26 far 10 100 10 - 3.7-17.7 HB3 LYS 24 - HG3 LYS 19 far 10 97 10 - 3.9-16.0 HB3 LYS 31 - HG3 LYS 19 far 5 97 5 - 4.5-27.7 HB3 LYS 26 - HG3 LYS 24 far 3 68 5 - 3.6-11.7 HB3 LYS 31 - HG3 LYS 24 far 0 67 0 - 5.0-17.6 HB3 LYS 24 - HG2 LYS 26 far 0 100 0 - 5.5-11.9 HB2 LYS 36 - HG3 LYS 24 far 0 68 0 - 5.5-27.7 HB3 LYS 26 - HG3 LYS 19 far 0 97 0 - 5.6-24.0 HB3 ARG 23 - HG3 LYS 24 far 0 67 0 - 6.1-8.0 HB3 LYS 19 - HG2 LYS 26 far 0 99 0 - 6.8-23.3 HB ILE 32 - HG3 LYS 24 far 0 67 0 - 6.8-18.6 HB2 CYS 79 - HG3 LYS 19 far 0 86 0 - 7.5-38.9 HB3 LEU 122 - HG3 LYS 24 far 0 41 0 - 7.8-29.5 HB3 ARG 23 - HG3 LYS 19 far 0 97 0 - 8.1-15.4 HB3 LEU 103 - HG2 LYS 26 far 0 78 0 - 8.4-24.6 HB2 LEU 100 - HG2 LYS 26 far 0 99 0 - 9.8-23.7 HB ILE 32 - HG3 LYS 19 far 0 96 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 630 from aliabs.peaks (1.43, 1.43, 24.54 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 26 + HG2 LYS 26 OK 100 100 - 100 HG3 LYS 19 + HG3 LYS 19 OK 95 95 - 100 HG3 LYS 24 + HG3 LYS 24 OK 54 54 - 100 Peak 631 from aliabs.peaks (1.38, 1.43, 24.54 ppm; 2.50 A): 3 out of 41 assignments used, quality = 1.00: * HG3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 92 92 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 66 66 100 100 1.8-1.8 1.8=100 QB ALA 12 - HG3 LYS 19 far 11 72 15 - 2.7-16.5 QB ALA 15 - HG3 LYS 19 far 5 97 5 - 2.8-13.3 QB ALA 16 - HG3 LYS 19 far 5 93 5 - 3.6-10.3 QB ALA 15 - HG3 LYS 24 far 3 68 5 - 2.8-17.3 QB ALA 108 - HG3 LYS 24 far 3 68 5 - 3.1-32.2 QB ALA 29 - HG3 LYS 24 far 3 67 5 - 3.5-13.3 QB ALA 28 - HG3 LYS 24 far 3 67 5 - 3.9-12.7 HG2 LYS 19 - HG3 LYS 24 far 3 62 5 - 2.1-17.9 HG2 LYS 24 - HG3 LYS 19 far 0 96 0 - 4.1-17.9 QB ALA 110 - HG2 LYS 26 far 0 100 0 - 4.2-29.3 HG3 LYS 26 - HG3 LYS 24 far 0 68 0 - 4.4-11.5 HG3 LYS 31 - HG3 LYS 19 far 0 96 0 - 4.5-25.5 QB ALA 28 - HG3 LYS 19 far 0 97 0 - 4.5-20.6 HG3 LYS 31 - HG2 LYS 26 far 0 100 0 - 4.7-16.4 HG2 LYS 24 - HG2 LYS 26 far 0 100 0 - 4.7-11.2 QB ALA 108 - HG2 LYS 26 far 0 100 0 - 4.8-24.8 QB ALA 16 - HG3 LYS 24 far 0 63 0 - 4.9-17.0 HG3 LYS 95 - HG3 LYS 24 far 0 67 0 - 5.2-35.5 QB ALA 109 - HG2 LYS 26 far 0 99 0 - 5.6-28.0 HG3 LYS 31 - HG3 LYS 24 far 0 67 0 - 5.7-17.0 QB ALA 28 - HG2 LYS 26 far 0 100 0 - 5.9-8.4 QB ALA 29 - HG2 LYS 26 far 0 100 0 - 6.0-10.1 QB ALA 109 - HG3 LYS 19 far 0 96 0 - 6.0-42.7 HG2 LYS 36 - HG3 LYS 24 far 0 68 0 - 6.1-25.7 HG2 LYS 95 - HG3 LYS 24 far 0 65 0 - 6.2-35.3 HG2 LYS 36 - HG2 LYS 26 far 0 100 0 - 6.3-25.0 QB ALA 12 - HG3 LYS 24 far 0 46 0 - 6.4-17.3 QB ALA 110 - HG3 LYS 19 far 0 97 0 - 7.3-45.2 QB ALA 109 - HG3 LYS 24 far 0 66 0 - 7.4-33.8 QB ALA 29 - HG3 LYS 19 far 0 97 0 - 7.7-21.6 HG3 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.8-23.7 HG2 LYS 36 - HG3 LYS 19 far 0 97 0 - 8.2-34.3 QB ALA 15 - HG2 LYS 26 far 0 100 0 - 8.2-21.4 HG2 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.7-25.7 QB ALA 108 - HG3 LYS 19 far 0 97 0 - 8.8-41.7 QB ALA 16 - HG2 LYS 26 far 0 97 0 - 9.4-22.0 QB ALA 110 - HG3 LYS 24 far 0 68 0 - 9.6-37.0 QB ALA 12 - HG2 LYS 26 far 0 78 0 - 9.8-21.9 Violated in 0 structures by 0.00 A. Peak 632 from aliabs.peaks (1.66, 1.43, 24.54 ppm; 3.28 A): 6 out of 34 assignments used, quality = 1.00: * HD2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 68 68 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 66 66 100 100 2.2-3.0 3.0=100 HD2 LYS 19 - HG3 LYS 24 poor 16 64 25 - 2.7-16.7 HD3 LYS 19 - HG3 LYS 24 poor 15 62 25 - 2.0-17.8 HD3 LYS 31 - HG2 LYS 26 far 10 100 10 - 4.2-16.2 HD2 LYS 24 - HG3 LYS 19 far 10 97 10 - 4.4-17.3 HD3 LYS 24 - HG3 LYS 19 far 10 96 10 - 4.4-17.3 HD3 LYS 24 - HG2 LYS 26 far 5 99 5 - 3.7-12.2 HB2 LEU 98 - HG3 LYS 24 far 3 59 5 - 3.2-36.3 HD2 LYS 31 - HG2 LYS 26 far 0 100 0 - 5.0-16.2 HD2 LYS 36 - HG2 LYS 26 far 0 100 0 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 5.1-12.8 HD2 LYS 36 - HG3 LYS 24 far 0 67 0 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 26 far 0 100 0 - 5.7-24.0 HD3 LYS 26 - HG3 LYS 24 far 0 67 0 - 5.9-11.9 HD2 LYS 26 - HG3 LYS 24 far 0 68 0 - 6.0-12.8 HD3 LYS 36 - HG3 LYS 24 far 0 68 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 97 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 67 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 96 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 95 0 - 7.1-30.0 HD3 LYS 95 - HG3 LYS 24 far 0 68 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 68 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 66 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 49 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 97 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 98 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 93 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 633 from aliabs.peaks (1.66, 1.43, 24.54 ppm; 3.27 A): 6 out of 34 assignments used, quality = 1.00: * HD3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HD2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HG3 LYS 19 OK 90 90 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 88 88 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 68 68 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 64 64 100 100 2.2-3.0 3.0=100 HD2 LYS 19 - HG3 LYS 24 poor 15 61 25 - 2.7-16.7 HD3 LYS 19 - HG3 LYS 24 poor 15 58 25 - 2.0-17.8 HD3 LYS 31 - HG2 LYS 26 far 10 100 10 - 4.2-16.2 HD2 LYS 24 - HG3 LYS 19 far 10 97 10 - 4.4-17.3 HD3 LYS 24 - HG3 LYS 19 far 9 94 10 - 4.4-17.3 HD3 LYS 24 - HG2 LYS 26 far 5 98 5 - 3.7-12.2 HB2 LEU 98 - HG3 LYS 24 far 3 55 5 - 3.2-36.3 HD2 LYS 31 - HG2 LYS 26 far 0 99 0 - 5.0-16.2 HD2 LYS 36 - HG2 LYS 26 far 0 100 0 - 5.1-23.1 HD2 LYS 24 - HG2 LYS 26 far 0 100 0 - 5.1-12.8 HD2 LYS 36 - HG3 LYS 24 far 0 68 0 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 26 far 0 100 0 - 5.7-24.0 HD3 LYS 26 - HG3 LYS 24 far 0 68 0 - 5.9-11.9 HD2 LYS 26 - HG3 LYS 24 far 0 67 0 - 6.0-12.8 HD3 LYS 36 - HG3 LYS 24 far 0 68 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 96 0 - 6.4-26.0 HD2 LYS 31 - HG3 LYS 24 far 0 65 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 95 0 - 6.8-25.5 HB2 LEU 98 - HG2 LYS 26 far 0 90 0 - 7.1-30.0 HD3 LYS 95 - HG3 LYS 24 far 0 67 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 97 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 67 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 65 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 54 0 - 8.9-32.2 HD3 LYS 19 - HG2 LYS 26 far 0 93 0 - 8.9-25.5 HD2 LYS 19 - HG2 LYS 26 far 0 96 0 - 8.9-23.8 HG LEU 62 - HG2 LYS 26 far 0 89 0 - 9.3-23.9 Violated in 0 structures by 0.00 A. Peak 634 from aliabs.peaks (2.96, 1.43, 24.54 ppm; 4.08 A): 6 out of 31 assignments used, quality = 1.00: * HE2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.0-3.9 3.6=100 HE3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.0-4.0 3.6=100 HE2 LYS 19 + HG3 LYS 19 OK 97 97 100 100 2.3-4.0 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 97 97 100 100 2.3-3.8 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 66 66 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 61 61 100 100 2.2-4.2 4.0=100 HE2 LYS 24 - HG3 LYS 19 poor 19 96 20 - 3.4-18.5 HE3 LYS 19 - HG3 LYS 24 poor 17 67 25 - 4.5-18.1 HE2 LYS 36 - HG2 LYS 26 far 15 100 15 - 4.1-24.5 HE3 LYS 24 - HG3 LYS 19 far 14 90 15 - 4.8-19.1 HE2 LYS 19 - HG3 LYS 24 far 10 67 15 - 3.7-17.8 HE3 LYS 36 - HG2 LYS 26 far 10 100 10 - 3.8-24.9 HE2 LYS 31 - HG2 LYS 26 far 5 100 5 - 5.4-15.0 HE2 LYS 36 - HG3 LYS 24 far 3 68 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 3 68 5 - 4.8-25.5 HE2 LYS 24 - HG2 LYS 26 far 0 99 0 - 5.9-13.2 HE3 LYS 24 - HG2 LYS 26 far 0 96 0 - 6.0-13.5 HE3 LYS 31 - HG2 LYS 26 far 0 99 0 - 6.0-14.4 HE3 LYS 26 - HG3 LYS 24 far 0 67 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 68 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 39 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 52 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 96 0 - 7.1-28.4 HE2 LYS 31 - HG3 LYS 19 far 0 97 0 - 7.5-27.6 HE2 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 73 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 66 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 68 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 42 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 97 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 635 from aliabs.peaks (2.96, 1.43, 24.54 ppm; 4.07 A): 6 out of 31 assignments used, quality = 1.00: * HE3 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.0-4.0 3.6=100 HE2 LYS 26 + HG2 LYS 26 OK 100 100 100 100 2.0-3.9 3.6=100 HE2 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.3-4.0 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 96 96 100 100 2.3-3.8 3.8=100 HE2 LYS 24 + HG3 LYS 24 OK 64 64 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 57 57 100 100 2.2-4.2 4.0=100 HE2 LYS 24 - HG3 LYS 19 poor 19 94 20 - 3.4-18.5 HE3 LYS 19 - HG3 LYS 24 poor 16 66 25 - 4.5-18.1 HE2 LYS 36 - HG2 LYS 26 far 15 100 15 - 4.1-24.5 HE3 LYS 24 - HG3 LYS 19 far 13 86 15 - 4.8-19.1 HE3 LYS 36 - HG2 LYS 26 far 10 100 10 - 3.8-24.9 HE2 LYS 19 - HG3 LYS 24 far 10 66 15 - 3.7-17.8 HE2 LYS 31 - HG2 LYS 26 far 5 100 5 - 5.4-15.0 HE2 LYS 36 - HG3 LYS 24 far 3 68 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 3 68 5 - 4.8-25.5 HE2 LYS 24 - HG2 LYS 26 far 0 98 0 - 5.9-13.2 HE3 LYS 24 - HG2 LYS 26 far 0 92 0 - 6.0-13.5 HE3 LYS 31 - HG2 LYS 26 far 0 98 0 - 6.0-14.4 HE3 LYS 26 - HG3 LYS 24 far 0 68 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 67 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 34 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 57 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 94 0 - 7.1-28.4 HE2 LYS 31 - HG3 LYS 19 far 0 97 0 - 7.5-27.6 HE2 LYS 26 - HG3 LYS 19 far 0 97 0 - 8.0-25.3 HB2 CYS 45 - HG2 LYS 26 far 0 65 0 - 8.1-25.2 HE3 LYS 31 - HG3 LYS 24 far 0 64 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 67 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 97 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 37 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 97 0 - 9.6-33.4 Violated in 0 structures by 0.00 A. Peak 638 from aliabs.peaks (4.27, 1.38, 24.54 ppm; 3.90 A): 12 out of 82 assignments used, quality = 1.00: * HA LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.6-3.9 4.0=89, 2.9/6253=57...(32) HA LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.0-4.2 3.8=100 HA LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.3-3.7 4.2=83, 3.0/6151=49...(42) HA THR 18 + HG2 LYS 19 OK 53 81 70 95 4.0-7.3 226/6151=46, 10686=46...(18) HA THR 25 + HG3 LYS 26 OK 50 78 70 92 3.0-7.7 3.6/6253=49, 11150=24...(23) HA LYS 36 + HG2 LYS 36 OK 49 49 100 100 2.3-3.8 4.1=84, 3.0/6394=63...(32) HA ARG 23 + HG2 LYS 24 OK 39 94 50 83 4.1-6.9 424/6222=67...(15) HA THR 25 + HG2 LYS 24 OK 32 73 45 97 3.0-6.9 3.0/6234=48, ~6232=23...(28) HA LYS 19 + HG2 LYS 24 OK 29 97 40 75 2.2-15.3 822/1.8=6, 598=5, ~281=2...(52) HA GLN 27 + HG3 LYS 26 OK 23 81 30 95 2.8-6.8 3.0/6265=33, ~6262=27...(27) HA LEU 22 + HG2 LYS 24 OK 22 97 50 44 2.7-8.4 6212/6222=13...(10) HA LYS 26 + HG3 LYS 31 OK 20 99 25 82 2.3-14.5 822/1.8=6, 790/3.0=6...(43) HA LYS 31 - HG3 LYS 26 poor 20 100 20 - 4.5-16.0 HA ARG 23 - HG3 LYS 26 poor 18 97 35 54 2.4-10.6 4.9/10729=27, 6240/522=5...(8) HA ALA 15 - HG2 LYS 19 poor 17 83 20 - 2.8-13.4 HA ALA 21 - HG2 LYS 24 poor 15 61 25 - 2.3-10.7 HA THR 25 - HG3 LYS 31 poor 15 76 20 - 3.6-15.1 HA ALA 16 - HG3 LYS 31 far 10 97 10 - 5.0-27.2 HA ARG 23 - HG3 LYS 31 far 10 96 10 - 5.1-16.2 HA THR 18 - HG3 LYS 31 far 9 92 10 - 3.2-23.1 HA LYS 36 - HG3 LYS 26 far 9 90 10 - 4.9-27.4 HA ALA 28 - HG3 LYS 31 far 7 71 10 - 5.2-11.0 HA LYS 26 - HG2 LYS 24 far 5 98 5 - 4.2-10.1 HA GLN 61 - HG3 LYS 26 far 5 97 5 - 2.5-25.1 HA ALA 15 - HG3 LYS 31 far 5 95 5 - 5.0-26.0 HA THR 18 - HG2 LYS 24 far 5 90 5 - 3.6-15.8 HA LYS 31 - HG2 LYS 19 far 4 89 5 - 4.9-26.6 HA ALA 16 - HG2 LYS 19 far 4 86 5 - 4.7-10.8 HA THR 18 - HG2 LYS 36 far 3 52 5 - 4.1-34.5 HA ALA 21 - HG2 LYS 36 far 2 32 5 - 4.7-28.9 HA ALA 12 - HG2 LYS 19 far 0 74 0 - 5.5-18.1 HA LYS 19 - HG3 LYS 31 far 0 99 0 - 5.5-23.5 HA ALA 28 - HG3 LYS 26 far 0 73 0 - 5.7-9.0 HA GLN 27 - HG2 LYS 36 far 0 42 0 - 5.8-19.4 HA ALA 108 - HG2 LYS 24 far 0 94 0 - 5.9-39.9 HA LYS 36 - HG3 LYS 31 far 0 88 0 - 5.9-16.7 HA ALA 109 - HG3 LYS 26 far 0 98 0 - 6.0-34.4 HA GLN 27 - HG2 LYS 24 far 0 76 0 - 6.0-12.9 HA LYS 26 - HG2 LYS 19 far 0 90 0 - 6.3-22.3 HA ALA 15 - HG2 LYS 24 far 0 93 0 - 6.3-22.5 HA LEU 22 - HG2 LYS 19 far 0 89 0 - 6.4-12.3 HA ARG 23 - HG2 LYS 19 far 0 84 0 - 6.4-16.2 HA LYS 19 - HG2 LYS 36 far 0 60 0 - 6.5-33.1 HA LEU 22 - HG3 LYS 26 far 0 100 0 - 6.5-13.0 HA THR 25 - HG2 LYS 19 far 0 64 0 - 6.5-20.7 HA ALA 16 - HG2 LYS 36 far 0 57 0 - 6.5-33.7 HA ALA 110 - HG2 LYS 19 far 0 76 0 - 6.6-54.1 HA LYS 31 - HG2 LYS 24 far 0 98 0 - 6.7-19.6 HA GLN 27 - HG3 LYS 31 far 0 78 0 - 6.7-11.3 HA GLN 61 - HG2 LYS 24 far 0 93 0 - 6.9-23.9 HA ALA 28 - HG2 LYS 24 far 0 69 0 - 7.0-12.9 HA LYS 36 - HG2 LYS 24 far 0 86 0 - 7.0-29.4 HA ALA 109 - HG2 LYS 24 far 0 94 0 - 7.0-42.1 HA ALA 21 - HG2 LYS 19 far 0 53 0 - 7.0-10.1 HA LYS 31 - HG2 LYS 36 far 0 60 0 - 7.1-11.7 HA ALA 12 - HG3 LYS 31 far 0 86 0 - 7.2-27.9 HA THR 25 - HG2 LYS 36 far 0 40 0 - 7.3-23.3 HA LYS 26 - HG2 LYS 36 far 0 60 0 - 7.4-22.3 HA LYS 36 - HG2 LYS 19 far 0 76 0 - 7.5-37.3 HA ALA 108 - HG3 LYS 26 far 0 98 0 - 7.5-32.5 HA GLN 61 - HG3 LYS 31 far 0 95 0 - 7.6-22.6 HA ALA 15 - HG3 LYS 26 far 0 97 0 - 7.7-25.9 HA ALA 110 - HG3 LYS 26 far 0 90 0 - 7.7-35.7 HA LEU 22 - HG3 LYS 31 far 0 99 0 - 7.8-18.5 HA ALA 28 - HG2 LYS 19 far 0 60 0 - 7.8-23.6 HA ALA 21 - HG3 LYS 26 far 0 65 0 - 7.8-15.9 HA ALA 108 - HG3 LYS 31 far 0 96 0 - 7.9-31.1 HA ALA 109 - HG2 LYS 19 far 0 85 0 - 7.9-53.1 HA LYS 19 - HG3 LYS 26 far 0 100 0 - 8.0-21.2 HA ALA 15 - HG2 LYS 36 far 0 54 0 - 8.0-30.5 HA ALA 16 - HG2 LYS 24 far 0 95 0 - 8.0-20.4 HA ALA 12 - HG2 LYS 24 far 0 84 0 - 8.0-22.3 HA ARG 23 - HG2 LYS 36 far 0 55 0 - 8.2-26.0 HA SER 74 - HG3 LYS 31 far 0 80 0 - 8.3-24.6 HA ALA 21 - HG3 LYS 31 far 0 63 0 - 8.3-20.2 HA LEU 22 - HG2 LYS 36 far 0 60 0 - 9.0-29.7 HA GLN 61 - HG2 LYS 19 far 0 83 0 - 9.1-33.2 HA GLN 61 - HG2 LYS 36 far 0 54 0 - 9.6-21.9 HA ALA 108 - HG2 LYS 19 far 0 85 0 - 9.6-51.1 HA GLN 27 - HG2 LYS 19 far 0 66 0 - 9.7-23.1 HA ALA 110 - HG2 LYS 24 far 0 86 0 - 9.8-43.7 HA ALA 16 - HG3 LYS 26 far 0 99 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 639 from aliabs.peaks (1.75, 1.38, 24.54 ppm; 3.68 A): 6 out of 27 assignments used, quality = 1.00: * HB2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.4-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.2-3.0 2.9=100 HB2 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.3-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 26 OK 37 100 40 92 2.0-14.6 804=9, 628/1.8=7...(98) HB2 LYS 26 + HG3 LYS 31 OK 23 99 25 92 3.1-14.0 823/1.8=6, 1.8/620=4...(106) HB2 ARG 23 - HG3 LYS 26 poor 20 99 20 - 3.9-12.1 HB2 LYS 19 - HG2 LYS 24 poor 20 98 20 - 3.7-16.8 HB2 LYS 19 - HG3 LYS 31 far 10 99 10 - 2.7-23.1 HB2 LYS 24 - HG3 LYS 31 far 10 99 10 - 3.7-17.1 HB2 ARG 23 - HG3 LYS 31 far 10 98 10 - 4.2-17.9 HB2 LYS 24 - HG2 LYS 19 poor 8 89 25 37 3.4-16.9 804=1, 790/4.2=1, ~823=1...(12) HB2 LYS 26 - HG2 LYS 24 far 5 98 5 - 2.2-11.2 HB2 ARG 23 - HG2 LYS 24 far 5 96 5 - 4.4-8.4 HB2 LYS 31 - HG2 LYS 19 far 4 89 5 - 5.2-27.3 HB2 LYS 24 - HG2 LYS 36 far 3 60 5 - 4.2-27.3 HB2 LYS 24 - HG3 LYS 26 far 0 100 0 - 5.4-11.1 HB2 LYS 26 - HG2 LYS 36 far 0 60 0 - 5.5-22.8 HB2 LYS 31 - HG2 LYS 24 far 0 98 0 - 5.6-19.7 HB2 LYS 19 - HG3 LYS 26 far 0 100 0 - 6.0-22.5 HB2 LYS 26 - HG2 LYS 19 far 0 90 0 - 6.4-24.5 HB2 LYS 31 - HG2 LYS 36 far 0 60 0 - 6.5-12.1 HB2 ARG 23 - HG2 LYS 36 far 0 58 0 - 6.8-24.5 HB2 LYS 19 - HG2 LYS 36 far 0 60 0 - 7.3-32.2 HB2 ARG 23 - HG2 LYS 19 far 0 87 0 - 7.6-15.2 HB2 LYS 39 - HG2 LYS 24 far 0 84 0 - 8.0-31.6 HB2 LYS 39 - HG2 LYS 36 far 0 47 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 640 from aliabs.peaks (1.81, 1.38, 24.54 ppm; 3.40 A): 7 out of 38 assignments used, quality = 1.00: * HB3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.3-3.0 2.9=100 HB3 LYS 19 + HG2 LYS 19 OK 86 86 100 100 2.5-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 26 OK 31 100 40 78 2.2-16.3 1.8/639=6, 988=6...(61) HB3 LYS 26 + HG3 LYS 31 OK 25 99 30 85 3.3-14.9 620=5, 989/1.8=4...(94) HB3 LYS 19 - HG2 LYS 24 poor 19 95 20 - 2.0-15.9 HB ILE 32 - HG2 LYS 36 poor 18 59 30 - 3.5-7.7 HB3 ARG 23 - HG3 LYS 26 far 15 100 15 - 2.7-12.0 HB ILE 32 - HG3 LYS 26 far 10 100 10 - 3.9-17.4 HB3 ARG 23 - HG3 LYS 31 far 10 99 10 - 4.3-17.8 HB ILE 32 - HG3 LYS 31 far 10 99 10 - 4.7-8.2 HB3 LYS 24 - HG2 LYS 19 far 9 89 10 - 3.4-16.0 HB2 LYS 36 - HG3 LYS 26 far 5 100 5 - 4.6-27.1 HB2 LYS 36 - HG3 LYS 31 far 5 99 5 - 3.8-16.2 HB3 LYS 24 - HG3 LYS 31 far 5 99 5 - 4.8-17.7 HB3 LYS 26 - HG2 LYS 24 far 5 98 5 - 2.9-11.3 HB3 LYS 19 - HG3 LYS 31 far 5 97 5 - 3.7-24.3 HB3 LYS 31 - HG2 LYS 19 far 4 89 5 - 4.7-26.5 HB3 LYS 24 - HG2 LYS 36 far 3 60 5 - 4.9-26.5 HB3 LYS 31 - HG2 LYS 24 far 0 97 0 - 5.1-19.1 HB3 ARG 23 - HG2 LYS 24 far 0 97 0 - 5.3-7.8 HB3 LYS 24 - HG3 LYS 26 far 0 100 0 - 5.4-11.5 HB2 LYS 36 - HG2 LYS 24 far 0 98 0 - 5.6-29.5 HB3 LYS 26 - HG2 LYS 19 far 0 90 0 - 6.0-24.6 HB3 ARG 23 - HG2 LYS 36 far 0 60 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 60 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 99 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 97 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 60 0 - 7.5-13.3 HB3 LYS 19 - HG2 LYS 36 far 0 57 0 - 8.2-32.7 HB3 ARG 23 - HG2 LYS 19 far 0 89 0 - 8.4-16.3 HB2 CYS 79 - HG2 LYS 36 far 0 50 0 - 8.7-18.1 HB2 CYS 79 - HG2 LYS 19 far 0 78 0 - 8.9-38.4 HB3 LEU 122 - HG2 LYS 24 far 0 66 0 - 9.0-29.6 HB2 LYS 36 - HG2 LYS 19 far 0 89 0 - 9.5-36.6 HB3 LEU 103 - HG3 LYS 26 far 0 78 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 641 from aliabs.peaks (1.43, 1.38, 24.54 ppm; 2.50 A): 5 out of 34 assignments used, quality = 1.00: * HG2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 87 87 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 84 84 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 31 31 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 10 100 10 - 2.6-15.5 HG13 ILE 32 - HG3 LYS 31 far 5 99 5 - 3.5-8.4 HG3 LYS 24 - HG2 LYS 19 far 4 74 5 - 2.1-17.9 HG2 LYS 31 - HG3 LYS 26 far 3 68 5 - 3.8-16.9 HG3 LYS 36 - HG3 LYS 31 far 0 61 0 - 4.1-14.2 HG3 LYS 19 - HG2 LYS 24 far 0 96 0 - 4.1-17.9 HG3 LYS 24 - HG3 LYS 26 far 0 89 0 - 4.4-11.5 HG3 LYS 19 - HG3 LYS 31 far 0 98 0 - 4.5-25.5 HG2 LYS 26 - HG3 LYS 31 far 0 99 0 - 4.7-16.4 HG2 LYS 26 - HG2 LYS 24 far 0 98 0 - 4.7-11.2 QB ALA 34 - HG2 LYS 36 far 0 49 0 - 4.7-7.2 QB ALA 34 - HG2 LYS 24 far 0 86 0 - 5.4-22.7 HG3 LYS 36 - HG2 LYS 24 far 0 58 0 - 5.4-28.0 QB ALA 34 - HG3 LYS 26 far 0 90 0 - 5.5-19.0 HG13 ILE 32 - HG2 LYS 36 far 0 60 0 - 5.5-9.7 HG2 LYS 31 - HG2 LYS 24 far 0 64 0 - 5.6-17.7 HG2 LYS 31 - HG2 LYS 19 far 0 55 0 - 5.6-25.5 HG3 LYS 24 - HG3 LYS 31 far 0 86 0 - 5.7-17.0 HG3 LYS 24 - HG2 LYS 36 far 0 47 0 - 6.1-25.7 HG3 LYS 36 - HG3 LYS 26 far 0 63 0 - 6.2-25.2 HG2 LYS 31 - HG2 LYS 36 far 0 34 0 - 6.3-14.0 HG2 LYS 26 - HG2 LYS 36 far 0 60 0 - 6.3-25.0 HG13 ILE 32 - HG2 LYS 24 far 0 98 0 - 7.5-18.3 QB ALA 34 - HG3 LYS 31 far 0 88 0 - 7.6-12.0 HG3 LYS 19 - HG3 LYS 26 far 0 99 0 - 7.8-23.7 HG3 LYS 36 - HG2 LYS 19 far 0 50 0 - 8.0-34.6 HG3 LYS 19 - HG2 LYS 36 far 0 58 0 - 8.2-34.3 HG2 LYS 26 - HG2 LYS 19 far 0 90 0 - 8.7-25.7 HG13 ILE 32 - HG2 LYS 19 far 0 89 0 - 8.9-25.0 Violated in 0 structures by 0.00 A. Peak 642 from aliabs.peaks (1.38, 1.38, 24.54 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 26 + HG3 LYS 26 OK 100 100 - 100 HG3 LYS 31 + HG3 LYS 31 OK 99 99 - 100 HG2 LYS 24 + HG2 LYS 24 OK 97 97 - 100 HG2 LYS 19 + HG2 LYS 19 OK 83 83 - 100 HG2 LYS 36 + HG2 LYS 36 OK 60 60 - 100 Peak 643 from aliabs.peaks (1.66, 1.38, 24.54 ppm; 3.40 A): 10 out of 58 assignments used, quality = 1.00: * HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 85 85 100 100 2.5-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 83 83 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.3-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 26 far 15 100 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 14 94 15 - 3.2-16.1 HD3 LYS 19 - HG2 LYS 24 far 14 93 15 - 2.1-17.8 HD2 LYS 24 - HG2 LYS 19 far 13 89 15 - 3.0-17.8 HD3 LYS 24 - HG2 LYS 19 far 13 88 15 - 2.7-16.9 HD2 LYS 26 - HG3 LYS 31 far 10 99 10 - 4.8-17.0 HD2 LYS 31 - HG3 LYS 26 far 5 100 5 - 3.6-15.7 HD2 LYS 36 - HG3 LYS 26 far 5 100 5 - 4.8-22.9 HD3 LYS 24 - HG3 LYS 26 far 5 99 5 - 3.7-11.0 HD3 LYS 26 - HG3 LYS 31 far 5 99 5 - 3.0-16.8 HD3 LYS 36 - HG3 LYS 31 far 5 99 5 - 4.6-13.4 HD2 LYS 36 - HG3 LYS 31 far 5 99 5 - 4.8-13.4 HD2 LYS 19 - HG3 LYS 31 far 5 96 5 - 4.6-25.3 HD3 LYS 19 - HG3 LYS 31 far 5 95 5 - 4.1-26.6 HB2 LEU 98 - HG2 LYS 24 far 5 90 5 - 4.9-36.4 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 97 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 97 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 98 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 98 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 100 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 99 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 59 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 98 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 60 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 95 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 60 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 89 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 98 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 97 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 56 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 78 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 89 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 89 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 96 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 58 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 98 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 90 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 97 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 49 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 56 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 93 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 89 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 79 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 644 from aliabs.peaks (1.66, 1.38, 24.54 ppm; 3.39 A): 10 out of 58 assignments used, quality = 1.00: * HD3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HG3 LYS 31 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 82 82 100 100 2.5-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 79 79 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.2-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 26 far 15 100 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 14 91 15 - 3.2-16.1 HD2 LYS 24 - HG2 LYS 19 far 13 89 15 - 3.0-17.8 HD3 LYS 19 - HG2 LYS 24 far 13 89 15 - 2.1-17.8 HD3 LYS 24 - HG2 LYS 19 far 13 85 15 - 2.7-16.9 HD2 LYS 26 - HG3 LYS 31 far 10 99 10 - 4.8-17.0 HD2 LYS 36 - HG3 LYS 26 far 5 100 5 - 4.8-22.9 HD3 LYS 26 - HG3 LYS 31 far 5 99 5 - 3.0-16.8 HD2 LYS 31 - HG3 LYS 26 far 5 99 5 - 3.6-15.7 HD2 LYS 36 - HG3 LYS 31 far 5 99 5 - 4.8-13.4 HD3 LYS 36 - HG3 LYS 31 far 5 99 5 - 4.6-13.4 HD3 LYS 24 - HG3 LYS 26 far 5 98 5 - 3.7-11.0 HD2 LYS 19 - HG3 LYS 31 far 5 94 5 - 4.6-25.3 HD3 LYS 19 - HG3 LYS 31 far 5 91 5 - 4.1-26.6 HB2 LEU 98 - HG2 LYS 24 far 4 86 5 - 4.9-36.4 HD3 LYS 26 - HG2 LYS 36 far 0 60 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 98 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 98 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 100 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 97 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 60 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 96 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 100 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 99 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 58 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 98 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 59 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 90 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 60 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 87 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 97 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 96 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 53 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 84 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 89 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 90 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 94 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 56 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 97 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 89 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 95 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 45 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 93 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 96 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 53 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 89 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 89 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 74 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 645 from aliabs.peaks (2.96, 1.38, 24.54 ppm; 4.12 A): 10 out of 53 assignments used, quality = 1.00: * HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.4-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 96 96 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 91 91 100 100 2.1-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 89 89 100 100 2.3-3.2 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.6-4.2 4.0=100 HE2 LYS 24 - HG2 LYS 19 poor 18 88 20 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 16 82 20 - 3.9-19.3 HE2 LYS 36 - HG3 LYS 31 far 15 99 15 - 4.3-14.3 HE3 LYS 36 - HG3 LYS 31 far 15 99 15 - 4.5-14.3 HE3 LYS 26 - HG3 LYS 31 far 15 99 15 - 4.8-18.3 HE3 LYS 36 - HG3 LYS 26 far 10 100 10 - 4.4-24.9 HE2 LYS 36 - HG3 LYS 26 far 10 100 10 - 4.6-24.5 HE2 LYS 31 - HG3 LYS 26 far 10 100 10 - 5.0-15.0 HE2 LYS 26 - HG3 LYS 31 far 10 99 10 - 4.3-18.5 HE3 LYS 19 - HG2 LYS 24 far 10 97 10 - 3.6-18.0 HE2 LYS 19 - HG2 LYS 24 far 10 97 10 - 4.3-16.8 HB2 CYS 45 - HG2 LYS 36 poor 7 37 20 - 4.8-12.0 HE2 LYS 26 - HG2 LYS 36 far 6 60 10 - 5.0-27.0 HE3 LYS 26 - HG2 LYS 36 far 6 60 10 - 5.1-26.6 HE2 LYS 24 - HG3 LYS 26 far 5 99 5 - 5.0-12.3 HE2 LYS 24 - HG3 LYS 31 far 5 98 5 - 4.1-18.0 HE2 LYS 36 - HG2 LYS 24 far 5 98 5 - 4.2-26.3 HE3 LYS 26 - HG2 LYS 24 far 5 97 5 - 5.4-12.1 HE3 LYS 24 - HG3 LYS 26 far 5 96 5 - 5.5-12.7 HE3 LYS 24 - HG3 LYS 31 far 5 94 5 - 5.2-18.7 HE2 LYS 31 - HG2 LYS 36 far 3 60 5 - 5.3-13.7 HE3 LYS 31 - HG2 LYS 36 far 3 58 5 - 5.1-14.9 HE3 LYS 36 - HG2 LYS 24 far 0 98 0 - 5.7-27.3 HE3 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.8-14.5 HE2 LYS 26 - HG2 LYS 24 far 0 98 0 - 5.9-12.0 HB3 ASN 116 - HG2 LYS 24 far 0 64 0 - 5.9-34.7 HE2 LYS 24 - HG2 LYS 36 far 0 58 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 99 0 - 6.4-26.3 HE3 LYS 31 - HG2 LYS 19 far 0 88 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 99 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 96 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 90 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 82 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 98 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 73 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 53 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 71 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 69 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 89 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 90 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 60 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 53 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 60 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 646 from aliabs.peaks (2.96, 1.38, 24.54 ppm; 4.11 A): 10 out of 52 assignments used, quality = 1.00: * HE3 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HE2 LYS 26 + HG3 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 HE2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.4-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 96 96 100 100 2.0-4.2 3.7=100 HE2 LYS 24 + HG2 LYS 24 OK 94 94 100 100 2.0-3.9 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 88 88 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 88 88 100 100 2.3-3.2 3.8=100 HE3 LYS 24 + HG2 LYS 24 OK 87 87 100 100 2.1-4.2 4.0=100 HE3 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 60 60 100 100 2.6-4.2 4.0=100 HE2 LYS 24 - HG2 LYS 19 poor 17 85 20 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 16 78 20 - 3.9-19.3 HE3 LYS 26 - HG3 LYS 31 far 15 99 15 - 4.8-18.3 HE2 LYS 36 - HG3 LYS 31 far 15 99 15 - 4.3-14.3 HE3 LYS 36 - HG3 LYS 31 far 15 99 15 - 4.5-14.3 HE3 LYS 36 - HG3 LYS 26 far 10 100 10 - 4.4-24.9 HE2 LYS 36 - HG3 LYS 26 far 10 100 10 - 4.6-24.5 HE2 LYS 31 - HG3 LYS 26 far 10 100 10 - 5.0-15.0 HE2 LYS 26 - HG3 LYS 31 far 10 99 10 - 4.3-18.5 HE3 LYS 19 - HG2 LYS 24 far 10 96 10 - 3.6-18.0 HE2 LYS 19 - HG2 LYS 24 far 10 96 10 - 4.3-16.8 HB2 CYS 45 - HG2 LYS 36 poor 6 32 20 - 4.8-12.0 HE3 LYS 26 - HG2 LYS 36 far 6 60 10 - 5.1-26.6 HE2 LYS 26 - HG2 LYS 36 far 6 60 10 - 5.0-27.0 HE2 LYS 24 - HG3 LYS 26 far 5 98 5 - 5.0-12.3 HE2 LYS 36 - HG2 LYS 24 far 5 98 5 - 4.2-26.3 HE3 LYS 26 - HG2 LYS 24 far 5 98 5 - 5.4-12.1 HE2 LYS 24 - HG3 LYS 31 far 5 96 5 - 4.1-18.0 HE3 LYS 24 - HG3 LYS 26 far 5 92 5 - 5.5-12.7 HE3 LYS 24 - HG3 LYS 31 far 4 90 5 - 5.2-18.7 HE2 LYS 31 - HG2 LYS 36 far 3 60 5 - 5.3-13.7 HE3 LYS 31 - HG2 LYS 36 far 3 56 5 - 5.1-14.9 HE3 LYS 36 - HG2 LYS 24 far 0 98 0 - 5.7-27.3 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 5.8-14.5 HE2 LYS 26 - HG2 LYS 24 far 0 97 0 - 5.9-12.0 HB3 ASN 116 - HG2 LYS 24 far 0 56 0 - 5.9-34.7 HE2 LYS 24 - HG2 LYS 36 far 0 56 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 98 0 - 6.4-26.3 HE3 LYS 31 - HG2 LYS 19 far 0 85 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 98 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 94 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 89 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 87 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 97 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 65 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 50 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 63 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 61 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 89 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 89 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 58 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 58 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 649 from aliabs.peaks (4.27, 1.66, 28.90 ppm; 6.80 A): 33 out of 174 assignments used, quality = 1.00: * HA LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-5.4 5.0=100 HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.9 5.2=100 HA LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.1-5.1 5.0=100 HA LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.0-5.4 5.2=100 HA LYS 36 + HD3 LYS 36 OK 82 82 100 100 3.0-5.3 5.3=100 HA ARG 23 + HD2 LYS 24 OK 82 90 95 95 3.9-8.4 424/5.9=82, ~821=16...(24) HA LYS 36 + HD2 LYS 36 OK 82 82 100 100 3.5-5.3 5.3=100 HA GLN 27 + HD2 LYS 26 OK 80 81 100 100 4.9-7.8 ~6264=55, 3.0/6267=45...(27) HA GLN 27 + HD3 LYS 26 OK 79 80 100 100 4.8-8.0 ~6264=55, 3.0/6267=45...(27) HA LYS 19 + HD2 LYS 19 OK 77 77 100 100 2.0-4.5 5.2=100 HA THR 25 + HD3 LYS 26 OK 77 77 100 99 4.5-8.0 582/5.7=64, 11128/3.5=30...(22) HA ARG 23 + HD3 LYS 24 OK 74 87 90 95 3.5-8.6 424/5.9=82, ~821=16...(26) HA THR 25 + HD2 LYS 26 OK 74 78 95 99 3.7-8.6 582/5.7=64, 11128/3.5=30...(22) HA LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.0-4.8 5.2=100 HA THR 25 + HD2 LYS 24 OK 70 70 100 100 2.7-7.9 ~6234=60, ~6235=47...(26) HA THR 18 + HD2 LYS 19 OK 68 68 100 100 2.6-7.9 226/6.2=78, 10686/3.0=66...(16) HA THR 25 + HD3 LYS 24 OK 66 66 100 100 3.3-8.1 ~6234=60, ~6235=47...(26) HA THR 18 + HD3 LYS 19 OK 64 64 100 100 4.3-7.5 226/6.2=78, 10686/3.0=66...(16) HA LYS 26 + HD3 LYS 31 OK 60 100 60 100 4.2-13.7 790/3.5=10, 822/2.9=8...(225) HA LYS 31 + HD3 LYS 26 OK 60 100 60 100 4.2-17.5 3.0/6336=11, 6342/6348=9...(243) HA LYS 26 + HD2 LYS 31 OK 60 99 60 100 2.5-14.0 790/3.5=10, 822/2.9=8...(207) HA ARG 23 + HD2 LYS 26 OK 57 97 70 83 3.1-12.9 6240/6237=6, 424/5.7=5...(98) HA LYS 31 + HD2 LYS 26 OK 55 100 55 100 4.7-17.2 3.0/6335=10...(246) HA LEU 22 + HD2 LYS 24 OK 52 95 80 68 2.8-10.2 11967/3.0=22...(13) HA ARG 23 + HD3 LYS 26 OK 51 97 60 88 3.6-13.1 4.9/11449=22...(92) HA LEU 22 + HD3 LYS 24 OK 47 91 75 68 3.9-9.9 11967/3.0=22...(13) HA LYS 19 + HD3 LYS 24 OK 45 91 50 99 2.2-14.1 822/3.0=7, ~281=6...(181) HA LYS 19 + HD2 LYS 24 OK 42 95 45 99 3.3-14.3 822/3.0=7, ~281=6...(213) HA LYS 31 + HD3 LYS 36 OK 25 95 50 53 5.5-11.8 6342/6347=12...(9) HA LYS 36 + HD2 LYS 26 OK 23 90 30 84 4.9-28.2 ~1004=10, ~1003=10...(66) HA LYS 31 + HD2 LYS 36 OK 23 94 45 53 4.5-11.5 6342/6347=13...(9) HA LYS 36 + HD3 LYS 26 OK 22 89 30 84 5.8-27.5 ~1004=10, ~1003=10...(66) HA ALA 28 + HD3 LYS 31 OK 21 73 35 81 5.2-12.0 ~10771=42, 3.0/10771=42...(23) HA LEU 22 - HD2 LYS 26 poor 20 100 20 - 5.5-15.0 HA LEU 22 - HD3 LYS 26 poor 20 100 20 - 6.5-14.0 HA ARG 23 - HD3 LYS 31 poor 19 97 20 - 6.2-17.8 HA ALA 15 - HD3 LYS 31 poor 19 96 20 - 5.3-25.6 HA ARG 23 - HD2 LYS 31 poor 19 96 20 - 5.6-16.4 HA LYS 26 - HD3 LYS 24 poor 18 92 40 49 4.6-10.7 2.9/6254=7, ~6255=6...(18) HA ALA 28 - HD2 LYS 31 poor 17 71 30 81 4.6-12.8 3.0/10771=51, ~10771=35...(22) HA GLN 27 - HD2 LYS 31 poor 15 79 35 56 4.9-12.0 3.6/10771=48, 3.0/6266=5, ~648=1 HA ALA 16 - HD2 LYS 19 poor 15 74 20 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 15 99 15 - 6.3-29.1 HA GLN 61 - HD3 LYS 31 far 14 96 15 - 6.0-23.4 HA GLN 27 - HD2 LYS 36 poor 14 72 20 - 5.6-17.4 HA LYS 26 - HD2 LYS 24 poor 14 95 30 50 6.0-10.6 2.9/6255=8, ~6255=6...(19) HA THR 18 - HD3 LYS 31 far 14 94 15 - 4.8-24.1 HA ALA 16 - HD3 LYS 19 poor 14 69 20 - 6.7-12.6 HA ARG 23 - HD3 LYS 19 poor 13 67 20 - 6.1-16.1 HA ARG 23 - HD2 LYS 36 far 13 90 15 - 7.6-24.0 HA ALA 21 - HD2 LYS 19 poor 13 43 30 - 6.7-11.4 HA THR 25 - HD3 LYS 19 poor 12 50 25 - 5.3-20.4 HA GLN 27 - HD3 LYS 31 poor 12 80 30 51 5.8-11.4 3.6/10771=39, ~6266=4...(8) HA LYS 36 - HD3 LYS 24 far 12 78 15 - 7.6-27.9 HA ALA 28 - HD2 LYS 26 far 11 73 15 - 4.8-10.6 HA GLN 27 - HD3 LYS 36 far 11 72 15 - 4.1-18.3 HA ALA 28 - HD3 LYS 26 far 11 72 15 - 6.0-9.9 HA LEU 22 - HD3 LYS 19 far 11 72 15 - 6.5-12.8 HA THR 25 - HD2 LYS 19 poor 11 53 20 - 4.9-18.6 HA THR 25 - HD3 LYS 36 far 11 70 15 - 5.9-22.2 HA THR 25 - HD2 LYS 36 far 10 70 15 - 4.6-21.6 HA LYS 19 - HD2 LYS 26 far 10 100 10 - 7.7-20.2 HA LYS 19 - HD2 LYS 31 far 10 99 10 - 7.8-23.5 HA ALA 28 - HD2 LYS 24 far 10 65 15 - 6.3-14.3 HA ALA 109 - HD2 LYS 26 far 10 98 10 - 6.1-34.6 HA ALA 16 - HD2 LYS 31 far 10 97 10 - 4.9-27.6 HA ALA 109 - HD3 LYS 26 far 10 97 10 - 4.8-33.6 HA ALA 108 - HD3 LYS 26 far 10 97 10 - 6.2-32.2 HA GLN 61 - HD2 LYS 26 far 10 97 10 - 4.2-27.0 HA GLN 61 - HD3 LYS 26 far 10 96 10 - 4.2-26.3 HA ALA 15 - HD2 LYS 31 far 10 95 10 - 5.7-24.6 HA LYS 26 - HD3 LYS 36 far 10 95 10 - 7.2-21.5 HA GLN 61 - HD2 LYS 31 far 10 95 10 - 6.6-24.1 HA THR 18 - HD2 LYS 31 far 9 93 10 - 4.8-23.0 HA ALA 28 - HD3 LYS 24 far 9 62 15 - 6.5-13.5 HA ALA 16 - HD2 LYS 24 far 9 92 10 - 7.2-19.6 HA GLN 61 - HD2 LYS 24 far 9 89 10 - 7.5-26.2 HA ALA 16 - HD3 LYS 24 far 9 89 10 - 6.6-19.1 HA ALA 21 - HD3 LYS 36 far 9 58 15 - 5.2-27.3 HA THR 18 - HD3 LYS 36 far 9 87 10 - 6.8-33.0 HA THR 18 - HD2 LYS 36 far 9 86 10 - 6.7-32.3 HA LYS 36 - HD2 LYS 24 far 8 82 10 - 6.0-27.3 HA ALA 12 - HD2 LYS 24 far 8 80 10 - 7.6-24.0 HA LYS 31 - HD2 LYS 19 far 8 77 10 - 2.7-27.6 HA LYS 26 - HD2 LYS 19 far 8 77 10 - 6.8-20.5 HA LEU 22 - HD2 LYS 19 far 8 77 10 - 6.1-11.8 HA ALA 12 - HD3 LYS 24 far 8 77 10 - 6.8-23.7 HA LYS 26 - HD3 LYS 19 far 7 73 10 - 7.0-22.3 HA GLN 27 - HD2 LYS 24 far 7 72 10 - 5.6-13.6 HA GLN 27 - HD3 LYS 24 far 7 69 10 - 4.5-14.4 HA ALA 21 - HD2 LYS 26 far 7 65 10 - 7.2-16.4 HA LYS 26 - HD2 LYS 36 poor 6 95 25 27 7.0-20.6 10816/10842=4...(3) HA ALA 21 - HD3 LYS 19 far 6 40 15 - 5.9-10.7 HA ALA 21 - HD2 LYS 36 far 6 57 10 - 5.3-26.7 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 7.4-24.1 HA LYS 19 - HD3 LYS 26 far 5 100 5 - 6.6-20.4 HA LEU 22 - HD2 LYS 31 far 5 99 5 - 8.1-19.6 HA ALA 108 - HD2 LYS 26 far 5 98 5 - 4.8-33.2 HA ALA 15 - HD3 LYS 26 far 5 96 5 - 8.1-24.3 HA LYS 31 - HD2 LYS 24 far 5 95 5 - 7.8-17.9 HA THR 18 - HD3 LYS 26 far 5 94 5 - 8.2-20.7 HA ALA 16 - HD3 LYS 36 far 5 92 5 - 7.2-32.0 HA ALA 28 - HD3 LYS 19 far 5 46 10 - 7.6-24.0 HA ALA 108 - HD2 LYS 24 far 5 91 5 - 8.1-41.9 HA ALA 110 - HD2 LYS 26 far 5 90 5 - 6.6-36.4 HA ARG 23 - HD3 LYS 36 far 5 90 5 - 7.6-24.8 HA LYS 36 - HD3 LYS 31 far 5 90 5 - 7.6-15.2 HA ALA 110 - HD3 LYS 26 far 4 89 5 - 4.9-35.3 HA ALA 15 - HD2 LYS 24 far 4 89 5 - 5.4-22.2 HA LYS 36 - HD2 LYS 31 far 4 89 5 - 7.0-16.1 HA ALA 108 - HD3 LYS 24 far 4 88 5 - 7.5-40.8 HA ALA 15 - HD3 LYS 24 far 4 86 5 - 5.0-21.8 HA GLN 61 - HD3 LYS 24 far 4 86 5 - 6.8-25.3 HA SER 74 - HD3 LYS 31 far 4 83 5 - 7.2-24.8 HA LYS 31 - HD3 LYS 19 far 4 72 5 - 3.5-28.9 HA GLN 61 - HD2 LYS 19 far 4 71 5 - 7.8-32.5 HA SER 124 - HD2 LYS 95 far 3 67 5 - 7.7-13.6 HA ALA 28 - HD3 LYS 36 far 3 65 5 - 8.2-16.0 HA ALA 21 - HD3 LYS 26 far 3 64 5 - 5.8-15.9 HA ALA 110 - HD2 LYS 19 far 3 64 5 - 6.8-53.6 HA ALA 110 - HD3 LYS 19 far 3 60 5 - 8.1-52.0 HA THR 18 - HD2 LYS 24 lone 3 87 30 11 3.6-15.2 3.6/6154=3, 10686/277=2 HA GLN 27 - HD2 LYS 19 far 3 55 5 - 7.5-22.5 HA THR 25 - HD2 LYS 31 lone 3 76 35 10 4.3-15.2 3.6/534=3, ~6235=1 HA THR 18 - HD3 LYS 24 lone 3 83 30 10 2.0-15.2 3.6/6154=4 HA ALA 28 - HD2 LYS 19 far 2 49 5 - 7.3-23.0 HA THR 25 - HD3 LYS 31 lone 2 78 30 10 4.3-14.5 3.6/534=3, ~6235=1 HA ALA 21 - HD3 LYS 24 lone 2 55 60 5 3.1-12.2 HA ALA 21 - HD2 LYS 24 lone 2 58 55 5 3.9-12.1 HA ALA 12 - HD3 LYS 19 lone 1 58 45 4 3.2-20.9 HA ALA 12 - HD2 LYS 19 lone 1 62 40 4 4.1-20.6 HA ALA 15 - HD2 LYS 19 lone 1 71 35 4 4.3-14.9 HA ALA 15 - HD3 LYS 19 lone 1 66 35 4 4.4-14.7 HA ARG 23 - HD2 LYS 19 lone 1 72 30 3 7.0-14.4 HA ALA 15 - HD2 LYS 26 far 0 97 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 81 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 51 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 66 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 89 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 92 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 92 0 - 8.4-31.3 HA THR 25 - HD2 LYS 95 far 0 74 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 88 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 89 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 94 0 - 8.5-27.7 HA THR 25 - HD3 LYS 95 far 0 77 0 - 8.5-30.6 HA ALA 109 - HD3 LYS 19 far 0 68 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 95 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 73 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 95 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 64 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 94 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 98 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 68 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 100 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 65 0 - 9.3-22.5 HA ALA 28 - HD2 LYS 36 far 0 65 0 - 9.4-15.3 HA SER 124 - HD3 LYS 95 far 0 69 0 - 9.5-12.9 HA ALA 108 - HD3 LYS 31 far 0 98 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 97 0 - 9.5-32.1 HA PHE 87 - HD2 LYS 95 far 0 98 0 - 9.6-13.0 HA SER 74 - HD2 LYS 95 far 0 78 0 - 9.6-12.5 HA ALA 12 - HD2 LYS 31 far 0 87 0 - 9.6-26.0 HA SER 74 - HD3 LYS 95 far 0 81 0 - 9.6-11.9 HA ALA 12 - HD3 LYS 31 far 0 89 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 73 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 91 0 - 9.7-44.1 HA ALA 28 - HD2 LYS 95 far 0 69 0 - 9.8-28.9 HB THR 115 - HD3 LYS 26 far 0 99 0 - 9.8-33.3 HA ALA 110 - HD3 LYS 95 far 0 89 0 - 9.9-28.3 HA ALA 16 - HD2 LYS 26 far 0 99 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 64 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 95 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 89 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 650 from aliabs.peaks (1.75, 1.66, 28.90 ppm; 4.74 A): 14 out of 62 assignments used, quality = 1.00: * HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.9-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 1.9-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.0-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 77 77 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 54 100 55 98 2.4-15.6 639/2.9=8, 628/2.9=8...(164) HB2 LYS 31 + HD2 LYS 26 OK 44 100 45 99 3.3-16.0 639/2.9=8, 628/2.9=8...(183) HB2 LYS 26 + HD2 LYS 31 OK 39 99 40 99 4.5-13.8 10770/10771=20...(198) HB2 LYS 19 + HD3 LYS 24 OK 26 92 30 96 4.7-15.4 823/3.0=5, 1.8/2631=4...(146) HB2 LYS 26 + HD3 LYS 31 OK 25 100 25 100 4.1-13.7 10770/10771=16...(221) HB2 ARG 23 + HD3 LYS 26 OK 23 98 30 78 3.3-13.9 3.7/11449=16...(45) HB2 LYS 24 - HD3 LYS 19 poor 18 73 25 - 2.7-16.8 HB2 ARG 23 - HD2 LYS 26 poor 17 99 25 68 2.0-13.7 ~11618=5, 433/5.7=4...(37) HB2 LYS 19 - HD2 LYS 24 far 14 95 15 - 3.7-16.1 HB2 LYS 24 - HD2 LYS 19 poor 14 77 35 51 4.1-16.1 790/5.2=2, 805=2...(7) HB2 ARG 23 - HD2 LYS 24 far 14 93 15 - 5.8-9.7 HB2 LYS 26 - HD2 LYS 36 far 9 95 10 - 5.6-20.8 HB2 ARG 23 - HD3 LYS 24 far 9 89 10 - 4.5-9.5 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-23.5 HB2 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.9-18.6 HB2 LYS 24 - HD2 LYS 26 far 5 100 5 - 6.1-12.1 HB2 LYS 19 - HD2 LYS 26 far 5 100 5 - 6.2-21.7 HB2 LYS 19 - HD3 LYS 26 far 5 100 5 - 5.6-21.9 HB2 LYS 24 - HD2 LYS 31 far 5 99 5 - 4.7-17.2 HB2 LYS 19 - HD2 LYS 31 far 5 99 5 - 5.1-23.0 HB2 ARG 23 - HD3 LYS 31 far 5 99 5 - 6.2-18.0 HB2 ARG 23 - HD2 LYS 31 far 5 98 5 - 5.5-17.1 HB2 LYS 26 - HD2 LYS 24 far 5 95 5 - 3.6-12.6 HB2 LYS 24 - HD3 LYS 36 far 5 95 5 - 4.2-25.9 HB2 LYS 24 - HD2 LYS 36 far 5 95 5 - 3.0-25.5 HB2 LYS 26 - HD3 LYS 36 far 5 95 5 - 6.1-21.8 HB2 LYS 31 - HD2 LYS 36 far 5 94 5 - 5.5-12.6 HB2 ARG 23 - HD3 LYS 36 far 5 93 5 - 5.5-23.2 HB2 LYS 26 - HD3 LYS 24 far 5 92 5 - 2.0-12.6 HB2 ARG 23 - HD2 LYS 36 far 5 92 5 - 6.0-22.4 HB2 LYS 31 - HD3 LYS 24 far 5 92 5 - 6.2-19.4 HB2 LYS 31 - HD2 LYS 19 far 4 77 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 4 72 5 - 5.5-29.5 HB2 ARG 23 - HD2 LYS 19 far 0 75 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 95 0 - 6.5-12.1 HG13 ILE 129 - HD2 LYS 95 far 0 98 0 - 6.5-11.1 HB2 LYS 26 - HD3 LYS 19 far 0 73 0 - 6.6-24.6 HG13 ILE 129 - HD3 LYS 95 far 0 100 0 - 6.6-9.8 HB2 LYS 31 - HD2 LYS 24 far 0 95 0 - 6.7-18.3 HG3 ARG 90 - HD3 LYS 95 far 0 98 0 - 7.0-10.9 HB2 LYS 26 - HD2 LYS 19 far 0 77 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 80 0 - 7.5-15.4 HG3 ARG 90 - HD2 LYS 95 far 0 96 0 - 7.8-12.0 HB2 ARG 23 - HD3 LYS 19 far 0 70 0 - 8.0-15.0 HB2 LYS 39 - HD3 LYS 24 far 0 77 0 - 8.5-31.4 HB2 LYS 39 - HD2 LYS 36 far 0 80 0 - 8.9-14.2 HB2 LYS 24 - HD3 LYS 95 far 0 100 0 - 9.1-34.0 HB2 LYS 19 - HD3 LYS 36 far 0 95 0 - 9.2-30.9 HG LEU 100 - HD2 LYS 31 far 0 61 0 - 9.6-21.5 HB2 LYS 24 - HD2 LYS 95 far 0 98 0 - 9.7-34.8 HB2 LYS 39 - HD2 LYS 19 far 0 62 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 63 0 - 9.9-21.8 HB2 LYS 39 - HD2 LYS 24 far 0 80 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 651 from aliabs.peaks (1.81, 1.66, 28.90 ppm; 5.70 A): 30 out of 80 assignments used, quality = 1.00: * HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.1 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.1-4.0 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.0-4.2 3.5=100 HB ILE 32 + HD2 LYS 36 OK 94 94 100 100 2.1-6.8 ~10901=57, ~10900=44...(69) HB3 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.5-4.2 3.5=100 HB ILE 32 + HD3 LYS 36 OK 90 94 95 100 2.3-8.3 ~10901=57, ~10900=44...(70) HB3 LYS 19 + HD2 LYS 19 OK 74 74 100 100 2.2-3.7 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 69 69 100 100 2.1-3.7 3.9=100 HB ILE 32 + HD3 LYS 31 OK 63 100 65 98 4.1-9.2 3.0/10763=15...(81) HB3 LYS 31 + HD2 LYS 26 OK 55 100 55 100 2.9-17.3 629/2.9=9, 6332/6335=8...(186) HB3 LYS 31 + HD3 LYS 26 OK 55 100 55 100 3.4-17.4 629/2.9=9, 6332/6336=9...(170) HB ILE 32 + HD2 LYS 31 OK 53 99 55 98 5.5-9.5 10752/5.2=14, 902/6.2=14...(78) HB ILE 32 + HD3 LYS 26 OK 48 99 50 97 4.0-17.6 ~10704=12, 3.0/10763=12...(71) HB VAL 93 + HD3 LYS 95 OK 46 93 50 98 5.9-8.8 2.1/9828=80...(10) HB3 LYS 26 + HD3 LYS 31 OK 45 100 45 100 4.5-14.4 10769/10771=25...(247) HB ILE 32 + HD2 LYS 26 OK 44 100 45 97 4.1-18.3 ~10767=16, 3.0/10763=13...(73) HB3 ARG 23 + HD3 LYS 26 OK 43 100 50 86 2.9-14.6 3.7/11449=21...(82) HB3 ARG 23 + HD2 LYS 26 OK 40 100 50 81 2.9-14.2 ~11618=7, 442/5.7=7...(81) HB3 LYS 26 + HD2 LYS 31 OK 40 99 40 100 4.2-14.4 10769/10771=30...(239) HB3 LYS 19 + HD2 LYS 24 OK 36 92 40 99 2.0-16.0 ~823=5, 526/3.0=5...(186) HB3 LYS 19 + HD3 LYS 24 OK 35 89 40 97 3.5-15.3 ~823=5, 526/3.0=5...(151) HB2 LYS 36 + HD2 LYS 26 OK 28 100 35 81 5.1-27.9 ~1004=9, ~1003=9...(36) HB2 LYS 36 + HD3 LYS 26 OK 28 100 35 80 4.4-27.1 ~1004=9, ~1003=9...(36) HB3 ARG 23 + HD2 LYS 24 OK 26 95 35 80 5.9-9.2 6214/5.9=32, ~1018=7...(45) HB3 ARG 23 + HD3 LYS 24 OK 25 91 35 79 5.2-9.3 6214/5.9=32, ~1018=7...(40) HB VAL 93 + HD2 LYS 95 OK 22 91 25 97 6.0-10.4 ~9828=66, ~11324=45...(10) HB3 LYS 24 - HD2 LYS 19 poor 20 77 35 73 3.7-15.7 596/5.2=2, 2.9/828=2...(40) HB3 LYS 24 - HD3 LYS 19 poor 17 73 30 76 2.0-16.3 596/5.2=2, 2.9/828=2...(59) HB3 LYS 24 - HD2 LYS 26 far 15 100 15 - 6.4-12.7 HB3 ARG 23 - HD3 LYS 31 far 15 100 15 - 6.2-17.9 HB3 ARG 23 - HD2 LYS 31 far 15 99 15 - 6.2-17.1 HB2 LYS 36 - HD3 LYS 31 far 10 100 10 - 5.9-14.3 HB3 LYS 26 - HD2 LYS 24 far 10 95 10 - 5.1-12.6 HB3 LYS 24 - HD3 LYS 36 far 10 95 10 - 5.5-25.2 HB3 LYS 26 - HD3 LYS 36 far 10 95 10 - 6.0-22.1 HB3 LYS 24 - HD2 LYS 36 far 9 95 10 - 4.2-24.7 HB3 ARG 23 - HD2 LYS 36 far 9 94 10 - 5.8-22.3 HB3 LYS 26 - HD3 LYS 24 far 9 92 10 - 3.7-12.3 HB3 LYS 31 - HD3 LYS 24 far 9 91 10 - 6.8-18.8 HB3 LYS 31 - HD2 LYS 36 poor 8 94 25 33 6.7-11.9 4.6/6347=8, 9824/10842=3 HB3 LYS 31 - HD2 LYS 19 far 8 77 10 - 3.6-27.6 HB3 LYS 26 - HD2 LYS 36 poor 6 95 25 25 6.5-21.1 10898/10837=3...(5) HB3 LYS 24 - HD3 LYS 31 far 5 100 5 - 6.4-19.4 HB2 LYS 36 - HD2 LYS 31 far 5 99 5 - 5.0-15.5 HB3 LYS 24 - HD2 LYS 31 far 5 99 5 - 5.4-17.9 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 5.9-24.7 HB3 LYS 19 - HD2 LYS 26 far 5 99 5 - 6.5-21.2 HB3 LYS 19 - HD3 LYS 26 far 5 98 5 - 6.5-21.5 HB3 LYS 19 - HD2 LYS 31 far 5 97 5 - 6.0-24.2 HB2 LYS 36 - HD2 LYS 24 far 5 95 5 - 5.7-27.6 HB3 ARG 23 - HD3 LYS 36 far 5 95 5 - 4.9-23.1 HB3 LYS 31 - HD3 LYS 36 far 5 95 5 - 7.1-13.3 HB2 LYS 36 - HD3 LYS 24 far 5 92 5 - 6.9-28.2 HB ILE 32 - HD3 LYS 24 far 5 91 5 - 7.1-19.3 HB3 ARG 23 - HD2 LYS 19 far 4 77 5 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 19 far 4 72 5 - 4.1-28.8 HB3 LYS 26 - HD3 LYS 19 far 4 73 5 - 6.9-24.6 HB3 LYS 26 - HD2 LYS 19 far 0 77 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 59 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 95 far 0 100 0 - 7.6-33.5 HB3 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 95 far 0 67 0 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 95 far 0 69 0 - 7.8-11.4 HB ILE 32 - HD3 LYS 19 far 0 72 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 72 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 77 0 - 8.1-28.1 HB3 LYS 24 - HD2 LYS 95 far 0 98 0 - 8.2-34.6 HB3 LEU 122 - HD2 LYS 24 far 0 63 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 61 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 94 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 77 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 84 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 66 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 98 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 83 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 652 from aliabs.peaks (1.43, 1.66, 28.90 ppm; 4.83 A): 25 out of 72 assignments used, quality = 1.00: * HG2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 24 + HD2 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 77 77 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 70 70 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 68 68 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 66 66 100 100 2.2-3.0 2.9=100 QB ALA 92 + HD3 LYS 95 OK 65 100 65 100 3.6-6.8 9948/3.7=58, 9950/3.0=43...(28) QB ALA 92 + HD2 LYS 95 OK 64 98 65 100 3.1-7.6 9948/3.7=58, 9950/3.0=43...(26) HG13 ILE 32 + HD2 LYS 36 OK 61 94 65 100 4.2-7.8 ~10901=33, 3.2/10837=31...(87) HG3 LYS 36 + HD3 LYS 36 OK 55 55 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 55 55 100 100 2.5-3.0 3.0=100 HG13 ILE 32 + HD3 LYS 36 OK 47 95 50 100 3.6-8.5 ~10901=33, 3.2/10837=29...(87) HG13 ILE 32 + HD3 LYS 31 OK 46 100 50 92 2.0-10.3 10757/5.2=18...(50) HG13 ILE 32 + HD2 LYS 31 OK 42 99 45 93 3.3-9.3 10757/5.2=18...(63) HG13 ILE 32 + HD3 LYS 26 OK 39 100 45 87 2.0-15.6 ~10704=12, 10757/5.0=9...(47) HG13 ILE 32 + HD2 LYS 26 OK 36 100 40 91 2.5-16.4 ~10767=15, ~10704=12...(57) QB ALA 34 + HD2 LYS 36 OK 34 82 60 70 4.7-8.0 5.0/10775=29...(11) QB ALA 34 + HD3 LYS 36 OK 33 82 60 66 4.1-8.0 5.0/10775=23...(12) HG2 LYS 31 + HD2 LYS 26 OK 27 68 40 99 3.5-18.0 5.0/6335=5, ~629=4...(203) HG2 LYS 31 + HD3 LYS 26 OK 27 67 40 99 4.2-17.6 5.0/6336=5, ~629=4...(197) HG3 LYS 19 + HD2 LYS 24 OK 26 93 30 92 4.4-17.3 3.0/2631=3, 1.8/276=3...(120) HG2 LYS 26 + HD3 LYS 31 OK 25 100 25 99 4.2-16.2 629/3.5=8, 628/3.5=7...(194) HG3 LYS 19 + HD3 LYS 24 OK 24 89 30 89 4.4-17.3 3.0/2631=3, ~823=3...(91) HG2 LYS 26 - HD2 LYS 31 poor 20 99 20 - 5.0-16.2 HG3 LYS 24 - HD3 LYS 19 poor 17 58 30 - 2.0-17.8 HG2 LYS 26 - HD3 LYS 36 far 14 95 15 - 5.7-24.0 HG2 LYS 26 - HD2 LYS 36 far 14 95 15 - 5.1-23.1 HG2 LYS 26 - HD3 LYS 24 far 14 92 15 - 3.7-12.2 HG3 LYS 24 - HD2 LYS 19 poor 14 62 35 63 2.7-16.7 525/3.9=3, 597/5.2=3...(13) HG2 LYS 26 - HD2 LYS 24 far 10 95 10 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 9 63 15 - 5.1-26.0 HG3 LYS 36 - HD3 LYS 26 far 9 62 15 - 3.6-25.1 HG2 LYS 31 - HD3 LYS 24 far 6 57 10 - 6.0-17.5 QB ALA 34 - HD2 LYS 26 far 5 90 5 - 4.9-20.3 QB ALA 34 - HD3 LYS 26 far 4 89 5 - 6.2-20.6 HG3 LYS 24 - HD2 LYS 26 far 4 89 5 - 6.0-12.8 HG3 LYS 24 - HD3 LYS 26 far 4 88 5 - 5.9-11.9 HG3 LYS 24 - HD3 LYS 36 far 4 80 5 - 6.1-24.1 HG3 LYS 24 - HD2 LYS 36 far 4 80 5 - 5.1-23.7 HG13 ILE 32 - HD3 LYS 19 far 4 72 5 - 6.2-26.5 HG3 LYS 36 - HD3 LYS 31 far 3 63 5 - 5.6-12.6 HG3 LYS 36 - HD2 LYS 31 far 3 61 5 - 5.8-13.8 HG2 LYS 31 - HD3 LYS 36 far 3 60 5 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 3 60 5 - 5.5-17.2 HG2 LYS 31 - HD2 LYS 36 far 3 60 5 - 6.0-13.4 HG3 LYS 36 - HD2 LYS 24 far 3 55 5 - 5.5-26.2 HG2 LYS 31 - HD2 LYS 19 far 2 45 5 - 5.7-26.4 HG2 LYS 31 - HD3 LYS 19 far 2 42 5 - 5.6-27.7 HG3 LYS 19 - HD3 LYS 31 far 0 99 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 52 0 - 6.5-26.8 HG3 LYS 24 - HD2 LYS 31 far 0 87 0 - 6.7-17.1 HG13 ILE 32 - HD2 LYS 19 far 0 77 0 - 6.7-25.6 HG3 LYS 19 - HD2 LYS 31 far 0 98 0 - 6.8-25.5 QB ALA 34 - HD2 LYS 24 far 0 82 0 - 7.0-21.4 QB ALA 34 - HD3 LYS 24 far 0 78 0 - 7.1-22.6 HG13 ILE 32 - HD3 LYS 24 far 0 92 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 95 0 - 7.4-16.8 HG3 LYS 24 - HD3 LYS 95 far 0 87 0 - 7.8-36.0 HG3 LYS 19 - HD3 LYS 26 far 0 98 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 84 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 99 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 90 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 89 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 73 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 77 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 92 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 95 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 41 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 38 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 653 from aliabs.peaks (1.38, 1.66, 28.90 ppm; 4.94 A): 21 out of 140 assignments used, quality = 1.00: * HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 97 97 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 96 96 100 100 2.2-2.9 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 71 71 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 66 66 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 49 99 50 99 3.0-16.8 834/3.5=6, 5.0/6336=5...(218) HG3 LYS 31 + HD2 LYS 26 OK 35 100 35 100 4.8-17.0 834/3.5=6, 835/3.5=5...(227) HG2 LYS 19 + HD3 LYS 24 OK 31 86 40 90 2.7-16.9 3.0/2631=3, ~823=3...(112) QB ALA 28 + HD3 LYS 31 OK 27 100 45 60 2.9-9.7 6304/10771=28, ~10771=24...(9) HG3 LYS 26 + HD2 LYS 31 OK 25 99 25 99 3.6-15.7 639/3.5=8, 640/3.5=6...(195) QB ALA 28 + HD2 LYS 31 OK 24 99 40 61 2.1-10.6 6304/10771=34, ~10771=20...(10) HG2 LYS 19 + HD2 LYS 24 OK 21 89 25 94 3.0-17.8 3.0/2631=4, ~823=3...(145) HG3 LYS 26 - HD3 LYS 31 poor 20 100 20 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 poor 20 100 20 - 3.8-22.6 QB ALA 29 - HD2 LYS 26 poor 20 100 20 - 4.7-11.1 QB ALA 15 - HD2 LYS 31 poor 20 99 20 - 3.6-21.3 HG2 LYS 24 - HD2 LYS 19 poor 19 76 25 - 3.2-16.1 QB ALA 29 - HD2 LYS 36 poor 19 94 20 - 5.2-9.9 HG3 LYS 26 - HD3 LYS 24 poor 18 92 20 - 3.7-11.0 HG2 LYS 24 - HD3 LYS 19 poor 18 71 25 - 2.1-17.8 QB ALA 15 - HD2 LYS 19 poor 15 77 20 - 3.7-12.8 QB ALA 29 - HD3 LYS 31 poor 15 100 30 51 3.0-9.8 ~10782=28, 3.7/7749=7...(12) QB ALA 28 - HD2 LYS 26 far 15 100 15 - 5.4-9.5 HB2 LEU 96 - HD3 LYS 95 far 15 100 15 - 5.9-9.0 QB ALA 28 - HD3 LYS 26 far 15 100 15 - 6.2-9.2 QB ALA 29 - HD2 LYS 31 poor 15 99 30 50 2.5-9.8 ~10782=28, 3.7/7749=6...(11) QB ALA 29 - HD3 LYS 36 far 14 95 15 - 5.2-10.6 HG3 LYS 31 - HD3 LYS 36 far 14 94 15 - 4.6-13.4 HG3 LYS 31 - HD2 LYS 36 far 14 94 15 - 4.8-13.4 HG LEU 96 - HD2 LYS 95 far 13 86 15 - 5.0-10.2 QB ALA 15 - HD3 LYS 19 far 11 73 15 - 3.8-12.9 QB ALA 108 - HD2 LYS 26 far 10 100 10 - 6.0-26.8 QB ALA 12 - HD3 LYS 24 far 10 66 15 - 4.3-18.1 QB ALA 29 - HD3 LYS 26 far 10 100 10 - 4.5-11.4 QB ALA 109 - HD3 LYS 26 far 10 99 10 - 5.1-28.1 HG3 LYS 26 - HD2 LYS 24 far 10 95 10 - 5.3-11.0 HG3 LYS 26 - HD3 LYS 36 far 10 95 10 - 5.9-23.8 HG3 LYS 26 - HD2 LYS 36 far 9 95 10 - 4.8-22.9 HB2 LEU 42 - HD3 LYS 36 far 9 92 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 9 92 10 - 4.0-11.4 QB ALA 29 - HD3 LYS 24 far 9 91 10 - 5.3-12.6 HG LEU 96 - HD3 LYS 95 far 9 89 10 - 5.8-9.4 QB ALA 16 - HD3 LYS 24 far 9 87 10 - 5.7-16.6 QB ALA 28 - HD3 LYS 19 far 7 72 10 - 4.6-21.9 QB ALA 16 - HD2 LYS 19 far 7 72 10 - 4.8-11.3 QB ALA 12 - HD2 LYS 24 far 7 70 10 - 5.6-18.4 QB ALA 110 - HD2 LYS 26 far 5 100 5 - 3.6-30.2 QB ALA 110 - HD3 LYS 26 far 5 100 5 - 2.4-29.3 HG2 LYS 36 - HD2 LYS 26 far 5 100 5 - 5.9-25.5 QB ALA 108 - HD3 LYS 26 far 5 100 5 - 4.8-26.0 HG2 LYS 36 - HD3 LYS 26 far 5 100 5 - 5.1-24.7 QB ALA 109 - HD2 LYS 26 far 5 99 5 - 4.4-27.7 HG2 LYS 24 - HD2 LYS 26 far 5 100 5 - 5.8-11.1 HG2 LYS 36 - HD2 LYS 31 far 5 99 5 - 6.2-13.5 HG2 LYS 24 - HD3 LYS 26 far 5 99 5 - 5.2-11.4 HB2 LEU 96 - HD2 LYS 95 far 5 98 5 - 5.6-9.4 QB ALA 16 - HD3 LYS 31 far 5 97 5 - 6.3-25.2 QB ALA 16 - HD2 LYS 31 far 5 96 5 - 5.3-24.0 QB ALA 15 - HD2 LYS 24 far 5 95 5 - 4.1-17.3 QB ALA 108 - HD2 LYS 24 far 5 95 5 - 5.1-33.9 HG3 LYS 95 - HD2 LYS 24 far 5 94 5 - 3.4-37.4 QB ALA 29 - HD2 LYS 24 far 5 95 5 - 5.3-13.3 HG3 LYS 31 - HD2 LYS 24 far 5 94 5 - 6.0-16.9 HG2 LYS 24 - HD2 LYS 36 far 5 94 5 - 5.3-25.5 HG2 LYS 95 - HD2 LYS 24 far 5 93 5 - 4.4-37.2 QB ALA 15 - HD3 LYS 24 far 5 92 5 - 3.5-17.1 QB ALA 108 - HD3 LYS 24 far 5 92 5 - 4.5-33.1 HG3 LYS 95 - HD3 LYS 24 far 5 91 5 - 3.7-36.4 HG3 LYS 31 - HD3 LYS 24 far 5 91 5 - 5.9-16.5 QB ALA 16 - HD2 LYS 24 far 5 90 5 - 4.9-17.1 HG2 LYS 95 - HD3 LYS 24 far 4 89 5 - 4.1-36.2 QB ALA 28 - HD2 LYS 19 far 4 77 5 - 5.9-21.1 HG3 LYS 31 - HD2 LYS 19 far 4 77 5 - 4.6-25.3 HG3 LYS 31 - HD3 LYS 19 far 4 72 5 - 4.1-26.6 QB ALA 16 - HD3 LYS 19 far 3 67 5 - 5.4-11.1 QB ALA 28 - HD2 LYS 24 lone 2 95 25 8 4.4-13.3 11150/11832=2...(3) QB ALA 28 - HD3 LYS 24 lone 2 91 25 7 4.8-12.7 11150/11832=2...(3) QB ALA 12 - HD2 LYS 19 lone 1 53 45 3 2.2-15.1 QB ALA 12 - HD3 LYS 19 lone 1 50 45 3 2.1-15.8 QB ALA 12 - HD3 LYS 31 far 0 78 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 94 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 71 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 76 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 90 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 95 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 77 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 95 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 100 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 99 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 72 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 75 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 100 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 94 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 96 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 90 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 77 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 99 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 100 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 73 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 96 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 98 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 90 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 92 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 95 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 100 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 99 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 95 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 94 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 95 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 97 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 98 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 97 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 97 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 97 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 72 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 77 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 73 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 98 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 77 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 99 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 77 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 70 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 89 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 98 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 70 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 98 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 96 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 92 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 654 from aliabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 99 99 - 100 HD2 LYS 95 + HD2 LYS 95 OK 97 97 - 100 HD3 LYS 36 + HD3 LYS 36 OK 95 95 - 100 HD2 LYS 24 + HD2 LYS 24 OK 95 95 - 100 HD2 LYS 36 + HD2 LYS 36 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 90 90 - 100 HD2 LYS 19 + HD2 LYS 19 OK 73 73 - 100 HD3 LYS 19 + HD3 LYS 19 OK 66 66 - 100 Peak 655 from aliabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD3 LYS 95 + HD3 LYS 95 OK 99 99 - 100 HD2 LYS 31 + HD2 LYS 31 OK 98 98 - 100 HD2 LYS 95 + HD2 LYS 95 OK 96 96 - 100 HD3 LYS 36 + HD3 LYS 36 OK 95 95 - 100 HD2 LYS 24 + HD2 LYS 24 OK 95 95 - 100 HD2 LYS 36 + HD2 LYS 36 OK 95 95 - 100 HD3 LYS 24 + HD3 LYS 24 OK 88 88 - 100 HD2 LYS 19 + HD2 LYS 19 OK 70 70 - 100 HD3 LYS 19 + HD3 LYS 19 OK 63 63 - 100 Reference assignment not found: HD3 LYS 26 - HD2 LYS 26 Peak 656 from aliabs.peaks (2.96, 1.66, 28.90 ppm; 6.04 A): 29 out of 114 assignments used, quality = 1.00: * HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 77 77 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 77 77 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 72 72 100 100 2.3-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 31 OK 34 100 35 99 4.6-18.1 6338/6.2=6, 2634/3.5=5...(207) HE3 LYS 26 + HD2 LYS 36 OK 30 94 60 53 2.5-24.7 1004/3.5=11, 1026/3.0=5...(20) HE3 LYS 26 + HD3 LYS 31 OK 30 100 30 98 3.6-17.7 6338/6.2=6, 2634/3.5=4...(203) HE2 LYS 26 + HD2 LYS 31 OK 29 99 30 99 6.0-18.3 6338/6.2=6, 2634/3.5=5...(207) HE2 LYS 26 + HD2 LYS 36 OK 29 95 50 60 3.3-25.2 1004/3.5=11, 1026/3.0=6...(30) HE3 LYS 26 + HD3 LYS 36 OK 27 95 55 52 3.6-25.8 1003/3.5=11, 1026/3.0=5...(20) HE2 LYS 26 + HD3 LYS 36 OK 26 95 45 60 4.7-26.1 1004/3.5=11, 1026/3.0=6...(30) HE3 LYS 26 + HD2 LYS 31 OK 24 99 25 99 5.2-17.8 6338/6.2=6, 2634/3.5=4...(203) HE2 LYS 19 + HD2 LYS 24 OK 20 95 35 60 5.2-19.0 5.1/2631=3, 3.8/276=3...(38) HE3 LYS 36 - HD2 LYS 26 poor 20 100 20 - 3.3-25.8 HE2 LYS 19 - HD3 LYS 24 poor 19 91 35 60 4.2-18.5 5.1/2631=3, 3.8/827=2...(38) HE2 LYS 31 - HD3 LYS 26 poor 19 100 40 47 4.2-14.6 7.1/6336=5, 4.8/661=4...(26) HE3 LYS 31 - HD3 LYS 26 poor 19 99 40 47 4.6-14.9 7.1/6336=5, 4.8/661=4...(26) HE2 LYS 31 - HD2 LYS 26 poor 18 100 40 46 3.3-15.6 7.1/6335=5, 3.7/827=3...(26) HE3 LYS 19 - HD3 LYS 24 poor 18 91 40 50 3.7-17.8 5.1/2631=3, 3.8/827=2...(26) HE3 LYS 24 - HD2 LYS 19 poor 18 70 45 57 2.9-18.4 2634/3.9=4, 11770/5.2=3...(40) HE3 LYS 19 - HD2 LYS 24 poor 17 95 35 52 3.9-18.3 5.1/2631=3, 3.8/276=3...(26) HE3 LYS 31 - HD2 LYS 26 poor 16 99 35 45 4.9-15.3 7.1/6335=5, 3.7/827=3...(26) HE2 LYS 24 - HD3 LYS 19 poor 15 71 40 54 2.7-18.2 2634/3.9=4, 11770/5.2=3...(37) HE2 LYS 36 - HD3 LYS 31 far 15 100 15 - 4.3-12.0 HE3 LYS 24 - HD3 LYS 19 poor 15 65 40 56 2.2-19.0 2634/3.9=4, 11770/5.2=3...(38) HE2 LYS 24 - HD2 LYS 19 poor 15 75 35 55 2.6-17.0 2634/3.9=4, 11770/5.2=3...(39) HE3 LYS 26 - HD2 LYS 24 far 14 95 15 - 7.0-13.6 HE3 LYS 26 - HD3 LYS 24 far 14 91 15 - 5.7-13.3 HE3 LYS 36 - HD2 LYS 31 poor 10 99 35 27 5.7-13.3 6337/6.2=2...(5) HE2 LYS 26 - HD2 LYS 24 far 10 95 10 - 6.9-13.2 HE2 LYS 26 - HD3 LYS 24 far 9 92 10 - 6.6-12.2 HE2 LYS 36 - HD2 LYS 31 poor 8 99 25 33 4.6-13.1 10721/11944=2...(4) HB2 CYS 45 - HD3 LYS 26 far 7 72 10 - 6.8-26.2 HE3 LYS 36 - HD3 LYS 26 poor 7 100 30 24 3.8-24.9 4.9/1031=5...(4) HB2 CYS 45 - HD2 LYS 31 far 7 71 10 - 7.5-19.9 HE3 LYS 36 - HD3 LYS 31 poor 7 100 25 27 5.3-12.3 6337/6.2=2...(5) HB2 CYS 45 - HD2 LYS 36 lone 7 65 60 17 4.5-10.8 9143/11125=7, ~1448=3...(4) HE2 LYS 36 - HD3 LYS 26 poor 7 100 30 22 2.9-24.6 4.9/1031=5...(4) HE2 LYS 36 - HD2 LYS 26 poor 6 100 25 22 1.9-25.5 4.9/1031=5...(5) HB2 CYS 45 - HD3 LYS 36 lone 6 65 45 19 4.1-11.2 9143/11125=7, ~1448=3...(5) HE2 LYS 24 - HD3 LYS 31 far 5 99 5 - 4.7-18.8 HE2 LYS 24 - HD2 LYS 26 far 5 99 5 - 7.0-12.4 HE2 LYS 24 - HD3 LYS 26 far 5 99 5 - 7.2-13.0 HE2 LYS 24 - HD3 LYS 95 far 5 99 5 - 6.6-34.7 HE2 LYS 24 - HD2 LYS 31 far 5 98 5 - 5.9-17.4 HE3 LYS 24 - HD3 LYS 31 far 5 96 5 - 5.0-18.2 HE2 LYS 36 - HD2 LYS 24 far 5 95 5 - 5.2-24.7 HE3 LYS 36 - HD2 LYS 24 far 5 95 5 - 7.0-25.6 HE3 LYS 24 - HD3 LYS 95 far 5 94 5 - 5.3-36.2 HE3 LYS 24 - HD2 LYS 31 far 5 94 5 - 6.5-18.3 HE2 LYS 24 - HD3 LYS 36 far 5 94 5 - 7.0-26.2 HE3 LYS 31 - HD2 LYS 24 far 5 94 5 - 7.4-18.2 HE2 LYS 24 - HD2 LYS 36 far 5 93 5 - 6.3-25.9 HE2 LYS 36 - HD3 LYS 24 far 5 92 5 - 5.7-25.1 HE3 LYS 24 - HD2 LYS 95 far 5 92 5 - 6.5-37.7 HE3 LYS 36 - HD3 LYS 24 far 5 92 5 - 7.4-26.2 HE3 LYS 31 - HD3 LYS 24 far 5 90 5 - 7.5-19.1 HB3 ASN 121 - HD3 LYS 95 far 4 85 5 - 6.3-11.9 HB3 ASN 121 - HD2 LYS 95 far 4 82 5 - 6.6-11.6 HB3 ASN 121 - HD2 LYS 24 far 4 79 5 - 6.7-35.7 HE2 LYS 31 - HD2 LYS 19 far 4 77 5 - 6.4-27.0 HB3 ASN 121 - HD3 LYS 24 far 4 75 5 - 5.3-34.8 HB2 CYS 45 - HD3 LYS 31 far 4 73 5 - 6.8-18.5 HE2 LYS 31 - HD3 LYS 19 far 4 73 5 - 6.7-28.5 HE2 LYS 31 - HD3 LYS 36 lone 4 95 35 11 4.3-13.8 10840/10837=3...(3) HE3 LYS 31 - HD3 LYS 19 far 4 71 5 - 7.5-29.3 HE2 LYS 31 - HD2 LYS 36 lone 3 95 30 11 3.1-14.2 10840/10837=3...(3) HB3 ASN 116 - HD3 LYS 24 far 3 57 5 - 6.5-36.1 HE3 LYS 31 - HD3 LYS 36 lone 3 94 30 10 4.8-13.8 10840/10837=3...(3) HE3 LYS 31 - HD2 LYS 36 lone 2 93 25 10 3.6-14.4 10840/10837=3...(3) HE3 LYS 24 - HD2 LYS 36 far 0 88 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 62 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 97 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 75 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 96 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 73 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 77 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 73 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 60 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 88 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 99 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 47 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 50 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 65 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 92 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 99 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 73 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 77 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 77 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 73 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 50 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 72 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 47 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 657 from aliabs.peaks (2.96, 1.66, 28.90 ppm; 6.02 A): 28 out of 110 assignments used, quality = 1.00: * HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 88 88 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 75 75 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 71 71 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 71 71 100 100 2.3-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 31 OK 34 100 35 98 4.6-18.1 6338/6.2=6, 2634/3.5=5...(207) HE3 LYS 26 + HD2 LYS 36 OK 30 95 60 52 2.5-24.7 1004/3.5=11, 1026/3.0=5...(20) HE3 LYS 26 + HD3 LYS 31 OK 30 100 30 98 3.6-17.7 6338/6.2=6, 2634/3.5=4...(202) HE2 LYS 26 + HD2 LYS 31 OK 29 99 30 98 6.0-18.3 6338/6.2=6, 2634/3.5=5...(207) HE2 LYS 26 + HD2 LYS 36 OK 28 94 50 60 3.3-25.2 1004/3.5=11, 1026/3.0=6...(30) HE2 LYS 26 + HD3 LYS 36 OK 26 95 45 60 4.7-26.1 1004/3.5=11, 1026/3.0=6...(30) HE3 LYS 26 + HD3 LYS 36 OK 25 95 50 52 3.6-25.8 1003/3.5=11, 1026/3.0=5...(20) HE3 LYS 26 + HD2 LYS 31 OK 24 99 25 98 5.2-17.8 6338/6.2=6, 2634/3.5=4...(203) HE3 LYS 36 - HD2 LYS 26 poor 20 100 20 - 3.3-25.8 HE2 LYS 19 - HD2 LYS 24 poor 20 94 35 60 5.2-19.0 5.1/2631=3, 3.8/276=3...(36) HE2 LYS 19 - HD3 LYS 24 poor 19 90 35 60 4.2-18.5 5.1/2631=3, 3.8/827=2...(36) HE2 LYS 31 - HD3 LYS 26 poor 19 100 40 47 4.2-14.6 7.1/6336=5, 4.8/661=4...(26) HE2 LYS 31 - HD2 LYS 26 poor 18 100 40 46 3.3-15.6 7.1/6335=5, 3.7/827=3...(26) HE3 LYS 31 - HD2 LYS 36 poor 18 91 20 - 3.6-14.4 HE3 LYS 31 - HD3 LYS 26 poor 18 97 40 47 4.6-14.9 7.1/6336=5, 4.8/661=4...(26) HE3 LYS 19 - HD3 LYS 24 poor 18 90 40 50 3.7-17.8 5.1/2631=3, 3.8/827=2...(24) HE3 LYS 19 - HD2 LYS 24 poor 17 94 35 51 3.9-18.3 5.1/2631=3, 3.8/277=3...(24) HE3 LYS 24 - HD2 LYS 19 poor 17 66 45 56 2.9-18.4 2634/3.9=4, 11770/5.2=3...(39) HE3 LYS 31 - HD2 LYS 26 poor 15 98 35 45 4.9-15.3 7.1/6335=5, 3.7/827=3...(26) HE2 LYS 36 - HD3 LYS 31 far 15 100 15 - 4.3-12.0 HE2 LYS 24 - HD3 LYS 19 poor 15 68 40 54 2.7-18.2 2634/3.9=4, 11770/5.2=3...(36) HE3 LYS 26 - HD2 LYS 24 far 14 95 15 - 7.0-13.6 HE2 LYS 24 - HD2 LYS 19 poor 14 73 35 55 2.6-17.0 2634/3.9=4, 11770/5.2=3...(38) HE3 LYS 26 - HD3 LYS 24 far 14 92 15 - 5.7-13.3 HE3 LYS 24 - HD3 LYS 19 poor 14 61 40 56 2.2-19.0 2634/3.9=4, 11770/5.2=3...(37) HE2 LYS 26 - HD2 LYS 24 far 9 95 10 - 6.9-13.2 HE2 LYS 26 - HD3 LYS 24 far 9 91 10 - 6.6-12.2 HE2 LYS 36 - HD2 LYS 31 poor 8 99 25 33 4.6-13.1 10721/11944=2...(4) HE3 LYS 36 - HD2 LYS 31 poor 8 99 30 27 5.7-13.3 6337/6.2=2...(5) HE3 LYS 36 - HD3 LYS 26 poor 7 100 30 23 3.8-24.9 4.9/1031=5...(4) HE3 LYS 36 - HD3 LYS 31 poor 7 100 25 27 5.3-12.3 6337/6.2=2...(5) HE2 LYS 36 - HD3 LYS 26 poor 7 100 30 22 2.9-24.6 4.9/1031=5...(4) HB2 CYS 45 - HD3 LYS 26 far 6 64 10 - 6.8-26.2 HB2 CYS 45 - HD2 LYS 31 far 6 64 10 - 7.5-19.9 HE2 LYS 36 - HD2 LYS 26 poor 6 100 25 22 1.9-25.5 4.9/1031=5...(5) HB2 CYS 45 - HD2 LYS 36 lone 5 57 60 16 4.5-10.8 9143/11125=6, ~1448=3...(4) HE2 LYS 24 - HD3 LYS 31 far 5 98 5 - 4.7-18.8 HE2 LYS 24 - HD2 LYS 26 far 5 98 5 - 7.0-12.4 HE2 LYS 24 - HD3 LYS 26 far 5 97 5 - 7.2-13.0 HE2 LYS 24 - HD3 LYS 95 far 5 97 5 - 6.6-34.7 HE2 LYS 24 - HD2 LYS 31 far 5 97 5 - 5.9-17.4 HE2 LYS 36 - HD2 LYS 24 far 5 95 5 - 5.2-24.7 HE3 LYS 36 - HD2 LYS 24 far 5 95 5 - 7.0-25.6 HE3 LYS 24 - HD3 LYS 31 far 5 92 5 - 5.0-18.2 HE2 LYS 36 - HD3 LYS 24 far 5 92 5 - 5.7-25.1 HE3 LYS 36 - HD3 LYS 24 far 5 92 5 - 7.4-26.2 HE2 LYS 24 - HD3 LYS 36 far 5 91 5 - 7.0-26.2 HE3 LYS 31 - HD2 LYS 24 far 5 91 5 - 7.4-18.2 HE2 LYS 24 - HD2 LYS 36 far 5 91 5 - 6.3-25.9 HE3 LYS 24 - HD3 LYS 95 far 5 91 5 - 5.3-36.2 HB3 ASN 121 - HD3 LYS 95 far 5 91 5 - 6.3-11.9 HB2 CYS 45 - HD3 LYS 36 lone 5 58 45 17 4.1-11.2 9143/11125=6, ~1448=3...(5) HE3 LYS 24 - HD2 LYS 31 far 5 90 5 - 6.5-18.3 HE3 LYS 24 - HD2 LYS 95 far 4 88 5 - 6.5-37.7 HB3 ASN 121 - HD2 LYS 95 far 4 88 5 - 6.6-11.6 HB3 ASN 121 - HD2 LYS 24 far 4 84 5 - 6.7-35.7 HB3 ASN 121 - HD3 LYS 24 far 4 80 5 - 5.3-34.8 HE2 LYS 31 - HD2 LYS 19 far 4 77 5 - 6.4-27.0 HE2 LYS 31 - HD3 LYS 19 far 4 72 5 - 6.7-28.5 HE2 LYS 31 - HD3 LYS 36 lone 4 95 35 11 4.3-13.8 10840/10837=3...(3) HE3 LYS 31 - HD3 LYS 19 far 3 68 5 - 7.5-29.3 HB2 CYS 45 - HD3 LYS 31 far 3 65 5 - 6.8-18.5 HE2 LYS 31 - HD2 LYS 36 lone 3 94 30 11 3.1-14.2 10840/10837=3...(3) HE3 LYS 31 - HD3 LYS 36 lone 3 91 30 10 4.8-13.8 10840/10837=3...(3) HB3 ASN 116 - HD3 LYS 24 far 2 50 5 - 6.5-36.1 HE3 LYS 31 - HD3 LYS 24 far 0 88 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 83 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 55 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 95 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 73 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 92 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 65 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 99 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 77 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 91 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 72 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 99 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 53 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 84 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 98 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 58 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 91 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 98 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 72 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 77 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 77 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 72 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 99 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 73 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 660 from aliabs.peaks (4.27, 1.66, 28.90 ppm; 6.80 A): 33 out of 174 assignments used, quality = 1.00: * HA LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.1-5.1 5.0=100 HA LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-5.4 5.0=100 HA LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.9 5.2=100 HA LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.0-5.4 5.2=100 HA LYS 36 + HD2 LYS 36 OK 83 83 100 100 3.5-5.3 5.3=100 HA LYS 36 + HD3 LYS 36 OK 83 83 100 100 3.0-5.3 5.3=100 HA ARG 23 + HD2 LYS 24 OK 82 91 95 95 3.9-8.4 424/5.9=82, ~821=16...(24) HA GLN 27 + HD3 LYS 26 OK 80 81 100 100 4.8-8.0 ~6264=55, 3.0/6267=45...(27) HA GLN 27 + HD2 LYS 26 OK 79 80 100 100 4.9-7.8 ~6264=55, 3.0/6266=45...(27) HA THR 25 + HD3 LYS 26 OK 78 78 100 99 4.5-8.0 582/5.7=64, 11128/3.5=30...(22) HA THR 25 + HD2 LYS 26 OK 73 77 95 99 3.7-8.6 582/5.7=64, 11128/3.5=30...(22) HA THR 25 + HD2 LYS 24 OK 70 70 100 100 2.7-7.9 ~6234=60, ~6235=47...(26) HA ARG 23 + HD3 LYS 24 OK 70 81 90 95 3.5-8.6 424/5.9=82, ~821=16...(26) HA LYS 19 + HD2 LYS 19 OK 69 69 100 100 2.0-4.5 5.2=100 HA LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.0-4.8 5.2=100 HA THR 25 + HD3 LYS 24 OK 61 61 100 100 3.3-8.1 ~6234=60, ~6235=47...(26) HA THR 18 + HD2 LYS 19 OK 61 61 100 100 2.6-7.9 226/6.2=78, 10686/3.0=66...(16) HA LYS 31 + HD3 LYS 26 OK 60 100 60 100 4.2-17.5 3.0/6336=11, 6342/6348=9...(243) HA LYS 26 + HD3 LYS 31 OK 60 99 60 100 4.2-13.7 790/3.5=10, 822/2.9=8...(225) HA LYS 26 + HD2 LYS 31 OK 58 97 60 100 2.5-14.0 790/3.5=10, 822/2.9=8...(207) HA ARG 23 + HD2 LYS 26 OK 56 97 70 83 3.1-12.9 6240/6236=6, 424/5.7=5...(98) HA THR 18 + HD3 LYS 19 OK 56 56 100 100 4.3-7.5 226/6.2=78, 10686/3.0=66...(16) HA LYS 31 + HD2 LYS 26 OK 55 100 55 100 4.7-17.2 3.0/6335=10...(246) HA LEU 22 + HD2 LYS 24 OK 52 95 80 68 2.8-10.2 11967/3.0=22...(13) HA ARG 23 + HD3 LYS 26 OK 51 97 60 88 3.6-13.1 4.9/11449=22...(92) HA LEU 22 + HD3 LYS 24 OK 44 86 75 68 3.9-9.9 11967/3.0=22...(13) HA LYS 19 + HD3 LYS 24 OK 43 86 50 99 2.2-14.1 822/3.0=7, ~281=6...(181) HA LYS 19 + HD2 LYS 24 OK 43 95 45 99 3.3-14.3 822/3.0=7, ~281=6...(213) HA LYS 31 + HD3 LYS 36 OK 25 95 50 53 5.5-11.8 6342/6347=12...(9) HA LYS 31 + HD2 LYS 36 OK 23 95 45 53 4.5-11.5 6342/6347=12...(9) HA LYS 36 + HD3 LYS 26 OK 23 90 30 84 5.8-27.5 ~1004=10, ~1003=10...(66) HA LYS 36 + HD2 LYS 26 OK 22 89 30 84 4.9-28.2 ~1004=10, ~1003=10...(66) HA ALA 28 + HD3 LYS 31 OK 20 71 35 81 5.2-12.0 3.0/10771=42, ~10771=42...(23) HA LEU 22 - HD3 LYS 26 poor 20 100 20 - 6.5-14.0 HA LEU 22 - HD2 LYS 26 poor 20 100 20 - 5.5-15.0 HA ARG 23 - HD2 LYS 19 poor 19 65 30 - 7.0-14.4 HA ARG 23 - HD3 LYS 31 poor 19 96 20 - 6.2-17.8 HA ALA 15 - HD3 LYS 31 poor 19 95 20 - 5.3-25.6 HA ARG 23 - HD2 LYS 31 poor 19 93 20 - 5.6-16.4 HA LYS 26 - HD3 LYS 24 poor 17 87 40 48 4.6-10.7 2.9/6254=7, ~6255=6...(18) HA ALA 28 - HD2 LYS 31 poor 17 68 30 81 4.6-12.8 3.0/10771=51, ~10771=35...(22) HA ALA 16 - HD3 LYS 31 far 15 97 15 - 6.3-29.1 HA GLN 27 - HD2 LYS 36 poor 15 73 20 - 5.6-17.4 HA GLN 27 - HD2 LYS 31 poor 15 75 35 56 4.9-12.0 3.6/10771=48, 3.0/6266=5, ~648=1 HA GLN 61 - HD3 LYS 31 far 14 95 15 - 6.0-23.4 HA LYS 26 - HD2 LYS 24 poor 14 95 30 50 6.0-10.6 2.9/6255=8, ~6255=6...(19) HA THR 18 - HD3 LYS 31 far 14 93 15 - 4.8-24.1 HA ARG 23 - HD2 LYS 36 far 14 91 15 - 7.6-24.0 HA ALA 16 - HD2 LYS 19 poor 13 67 20 - 6.3-13.4 HA ALA 16 - HD3 LYS 19 poor 12 61 20 - 6.7-12.6 HA GLN 27 - HD3 LYS 31 poor 12 79 30 51 5.8-11.4 3.6/10771=40, ~6266=4...(8) HA ARG 23 - HD3 LYS 19 poor 12 59 20 - 6.1-16.1 HA ALA 21 - HD2 LYS 19 poor 12 38 30 - 6.7-11.4 HA ALA 28 - HD3 LYS 26 far 11 73 15 - 6.0-9.9 HA LYS 36 - HD3 LYS 24 far 11 73 15 - 7.6-27.9 HA GLN 27 - HD3 LYS 36 far 11 73 15 - 4.1-18.3 HA ALA 28 - HD2 LYS 26 far 11 72 15 - 4.8-10.6 HA THR 25 - HD3 LYS 19 poor 11 43 25 - 5.3-20.4 HA THR 25 - HD2 LYS 36 far 11 71 15 - 4.6-21.6 HA THR 25 - HD3 LYS 36 far 11 70 15 - 5.9-22.2 HA LYS 19 - HD2 LYS 26 far 10 100 10 - 7.7-20.2 HA ALA 28 - HD2 LYS 24 far 10 66 15 - 6.3-14.3 HA ALA 109 - HD3 LYS 26 far 10 98 10 - 4.8-33.6 HA ALA 108 - HD3 LYS 26 far 10 98 10 - 6.2-32.2 HA ALA 109 - HD2 LYS 26 far 10 97 10 - 6.1-34.6 HA GLN 61 - HD3 LYS 26 far 10 97 10 - 4.2-26.3 HA LYS 19 - HD2 LYS 31 far 10 97 10 - 7.8-23.5 HA GLN 61 - HD2 LYS 26 far 10 96 10 - 4.2-27.0 HA LYS 26 - HD3 LYS 36 far 10 95 10 - 7.2-21.5 HA LEU 22 - HD3 LYS 19 far 10 64 15 - 6.5-12.8 HA THR 25 - HD2 LYS 19 poor 9 47 20 - 4.9-18.6 HA ALA 16 - HD2 LYS 31 far 9 94 10 - 4.9-27.6 HA ALA 16 - HD2 LYS 24 far 9 93 10 - 7.2-19.6 HA ALA 15 - HD2 LYS 31 far 9 92 10 - 5.7-24.6 HA GLN 61 - HD2 LYS 31 far 9 92 10 - 6.6-24.1 HA GLN 61 - HD2 LYS 24 far 9 90 10 - 7.5-26.2 HA THR 18 - HD2 LYS 31 far 9 89 10 - 4.8-23.0 HA ALA 21 - HD3 LYS 36 far 9 58 15 - 5.2-27.3 HA THR 18 - HD2 LYS 36 far 9 87 10 - 6.7-32.3 HA THR 18 - HD3 LYS 36 far 9 87 10 - 6.8-33.0 HA ALA 28 - HD3 LYS 24 far 9 57 15 - 6.5-13.5 HA ALA 16 - HD3 LYS 24 far 8 83 10 - 6.6-19.1 HA LYS 36 - HD2 LYS 24 far 8 83 10 - 6.0-27.3 HA ALA 12 - HD2 LYS 24 far 8 81 10 - 7.6-24.0 HA GLN 27 - HD2 LYS 24 far 7 73 10 - 5.6-13.6 HA ALA 12 - HD3 LYS 24 far 7 71 10 - 6.8-23.7 HA LYS 31 - HD2 LYS 19 far 7 70 10 - 2.7-27.6 HA LYS 26 - HD2 LYS 19 far 7 70 10 - 6.8-20.5 HA LEU 22 - HD2 LYS 19 far 7 69 10 - 6.1-11.8 HA LYS 26 - HD2 LYS 36 poor 7 96 25 27 7.0-20.6 10816/10842=5...(3) HA ALA 21 - HD2 LYS 26 far 6 64 10 - 7.2-16.4 HA LYS 26 - HD3 LYS 19 far 6 64 10 - 7.0-22.3 HA GLN 27 - HD3 LYS 24 far 6 63 10 - 4.5-14.4 HA ALA 21 - HD2 LYS 36 far 6 58 10 - 5.3-26.7 HA ALA 21 - HD3 LYS 19 far 5 35 15 - 5.9-10.7 HA LYS 19 - HD3 LYS 26 far 5 100 5 - 6.6-20.4 HA LYS 19 - HD3 LYS 31 far 5 99 5 - 7.4-24.1 HA ALA 108 - HD2 LYS 26 far 5 97 5 - 4.8-33.2 HA LEU 22 - HD2 LYS 31 far 5 97 5 - 8.1-19.6 HA ALA 15 - HD3 LYS 26 far 5 97 5 - 8.1-24.3 HA LYS 31 - HD2 LYS 24 far 5 95 5 - 7.8-17.9 HA THR 18 - HD3 LYS 26 far 5 95 5 - 8.2-20.7 HA ALA 16 - HD3 LYS 36 far 5 93 5 - 7.2-32.0 HA ALA 108 - HD2 LYS 24 far 5 92 5 - 8.1-41.9 HA ALA 110 - HD3 LYS 26 far 5 90 5 - 4.9-35.3 HA ARG 23 - HD3 LYS 36 far 5 91 5 - 7.6-24.8 HA ALA 15 - HD2 LYS 24 far 4 90 5 - 5.4-22.2 HA ALA 110 - HD2 LYS 26 far 4 89 5 - 6.6-36.4 HA LYS 36 - HD3 LYS 31 far 4 89 5 - 7.6-15.2 HA LYS 36 - HD2 LYS 31 far 4 85 5 - 7.0-16.1 HA ALA 108 - HD3 LYS 24 far 4 82 5 - 7.5-40.8 HA SER 74 - HD3 LYS 31 far 4 81 5 - 7.2-24.8 HA ALA 15 - HD3 LYS 24 far 4 80 5 - 5.0-21.8 HA GLN 61 - HD3 LYS 24 far 4 80 5 - 6.8-25.3 HA ALA 28 - HD3 LYS 19 far 4 40 10 - 7.6-24.0 HA ALA 21 - HD3 LYS 26 far 3 65 5 - 5.8-15.9 HA ALA 28 - HD3 LYS 36 far 3 66 5 - 8.2-16.0 HA LYS 31 - HD3 LYS 19 far 3 64 5 - 3.5-28.9 HA GLN 61 - HD2 LYS 19 far 3 64 5 - 7.8-32.5 HA SER 124 - HD2 LYS 95 far 3 62 5 - 7.7-13.6 HA ALA 110 - HD2 LYS 19 far 3 57 5 - 6.8-53.6 HA THR 18 - HD2 LYS 24 lone 3 87 30 10 3.6-15.2 3.6/6154=3, 10686/277=2 HA ALA 110 - HD3 LYS 19 far 3 52 5 - 8.1-52.0 HA THR 25 - HD2 LYS 31 lone 3 72 35 10 4.3-15.2 3.6/534=3, ~6235=1 HA GLN 27 - HD2 LYS 19 far 2 49 5 - 7.5-22.5 HA THR 25 - HD3 LYS 31 lone 2 76 30 10 4.3-14.5 3.6/534=3, ~6235=1 HA THR 18 - HD3 LYS 24 lone 2 78 30 10 2.0-15.2 3.6/6154=3 HA ALA 28 - HD2 LYS 19 far 2 44 5 - 7.3-23.0 HA ALA 21 - HD2 LYS 24 lone 2 58 55 5 3.9-12.1 HA ALA 21 - HD3 LYS 24 lone 2 50 60 5 3.1-12.2 HA ALA 12 - HD3 LYS 19 lone 1 51 45 4 3.2-20.9 HA ALA 12 - HD2 LYS 19 lone 1 56 40 4 4.1-20.6 HA ALA 15 - HD2 LYS 19 lone 1 64 35 4 4.3-14.9 HA ALA 15 - HD3 LYS 19 lone 1 58 35 4 4.4-14.7 HA ALA 15 - HD2 LYS 26 far 0 96 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 77 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 45 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 58 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 90 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 86 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 93 0 - 8.4-31.3 HA THR 25 - HD2 LYS 95 far 0 69 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 82 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 90 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 95 0 - 8.5-27.7 HA THR 25 - HD3 LYS 95 far 0 76 0 - 8.5-30.6 HA ALA 109 - HD3 LYS 19 far 0 60 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 95 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 66 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 94 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 60 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 95 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 99 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 60 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 99 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 64 0 - 9.3-22.5 HA ALA 28 - HD2 LYS 36 far 0 66 0 - 9.4-15.3 HA SER 124 - HD3 LYS 95 far 0 68 0 - 9.5-12.9 HA ALA 108 - HD3 LYS 31 far 0 97 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 94 0 - 9.5-32.1 HA PHE 87 - HD2 LYS 95 far 0 94 0 - 9.6-13.0 HA SER 74 - HD2 LYS 95 far 0 74 0 - 9.6-12.5 HA ALA 12 - HD2 LYS 31 far 0 83 0 - 9.6-26.0 HA SER 74 - HD3 LYS 95 far 0 80 0 - 9.6-11.9 HA ALA 12 - HD3 LYS 31 far 0 87 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 66 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 92 0 - 9.7-44.1 HA ALA 28 - HD2 LYS 95 far 0 65 0 - 9.8-28.9 HB THR 115 - HD3 LYS 26 far 0 100 0 - 9.8-33.3 HA ALA 110 - HD3 LYS 95 far 0 88 0 - 9.9-28.3 HA ALA 16 - HD2 LYS 26 far 0 98 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 57 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 95 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 90 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 661 from aliabs.peaks (1.75, 1.66, 28.90 ppm; 4.74 A): 14 out of 62 assignments used, quality = 1.00: * HB2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.0-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.9-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 1.9-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 87 87 100 100 2.0-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 70 70 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 54 100 55 98 2.4-15.6 639/2.9=8, 628/2.9=8...(164) HB2 LYS 31 + HD2 LYS 26 OK 44 100 45 99 3.3-16.0 639/2.9=8, 628/2.9=8...(183) HB2 LYS 26 + HD2 LYS 31 OK 39 97 40 99 4.5-13.8 10770/10771=20...(198) HB2 LYS 19 + HD3 LYS 24 OK 25 86 30 96 4.7-15.4 823/3.0=5, 1.8/2631=4...(146) HB2 LYS 26 + HD3 LYS 31 OK 25 99 25 100 4.1-13.7 10770/10771=16...(221) HB2 ARG 23 + HD3 LYS 26 OK 23 99 30 77 3.3-13.9 3.7/11449=16...(45) HB2 ARG 23 - HD2 LYS 26 poor 17 98 25 68 2.0-13.7 ~11618=5, 433/5.7=4...(37) HB2 LYS 24 - HD3 LYS 19 poor 16 64 25 - 2.7-16.8 HB2 LYS 19 - HD2 LYS 24 far 14 95 15 - 3.7-16.1 HB2 ARG 23 - HD2 LYS 24 far 14 93 15 - 5.8-9.7 HB2 LYS 24 - HD2 LYS 19 poor 13 70 35 51 4.1-16.1 790/5.2=2, 806=2...(7) HB2 LYS 26 - HD2 LYS 36 far 10 96 10 - 5.6-20.8 HB2 ARG 23 - HD3 LYS 24 far 8 84 10 - 4.5-9.5 HB2 LYS 19 - HD3 LYS 26 far 5 100 5 - 5.6-21.9 HB2 LYS 24 - HD2 LYS 26 far 5 100 5 - 6.1-12.1 HB2 LYS 19 - HD2 LYS 26 far 5 100 5 - 6.2-21.7 HB2 LYS 19 - HD3 LYS 31 far 5 99 5 - 4.6-23.5 HB2 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.9-18.6 HB2 ARG 23 - HD3 LYS 31 far 5 98 5 - 6.2-18.0 HB2 LYS 24 - HD2 LYS 31 far 5 97 5 - 4.7-17.2 HB2 LYS 19 - HD2 LYS 31 far 5 97 5 - 5.1-23.0 HB2 LYS 24 - HD2 LYS 36 far 5 96 5 - 3.0-25.5 HB2 LYS 26 - HD2 LYS 24 far 5 95 5 - 3.6-12.6 HB2 LYS 24 - HD3 LYS 36 far 5 95 5 - 4.2-25.9 HB2 LYS 31 - HD2 LYS 36 far 5 95 5 - 5.5-12.6 HB2 LYS 26 - HD3 LYS 36 far 5 95 5 - 6.1-21.8 HB2 ARG 23 - HD2 LYS 31 far 5 95 5 - 5.5-17.1 HB2 ARG 23 - HD2 LYS 36 far 5 93 5 - 6.0-22.4 HB2 ARG 23 - HD3 LYS 36 far 5 93 5 - 5.5-23.2 HB2 LYS 26 - HD3 LYS 24 far 4 87 5 - 2.0-12.6 HB2 LYS 31 - HD3 LYS 24 far 4 86 5 - 6.2-19.4 HB2 LYS 31 - HD2 LYS 19 far 3 70 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 3 64 5 - 5.5-29.5 HB2 ARG 23 - HD2 LYS 19 far 0 67 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 95 0 - 6.5-12.1 HG13 ILE 129 - HD2 LYS 95 far 0 94 0 - 6.5-11.1 HB2 LYS 26 - HD3 LYS 19 far 0 64 0 - 6.6-24.6 HG13 ILE 129 - HD3 LYS 95 far 0 99 0 - 6.6-9.8 HB2 LYS 31 - HD2 LYS 24 far 0 95 0 - 6.7-18.3 HG3 ARG 90 - HD3 LYS 95 far 0 97 0 - 7.0-10.9 HB2 LYS 26 - HD2 LYS 19 far 0 70 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 100 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 81 0 - 7.5-15.4 HG3 ARG 90 - HD2 LYS 95 far 0 91 0 - 7.8-12.0 HB2 ARG 23 - HD3 LYS 19 far 0 62 0 - 8.0-15.0 HB2 LYS 39 - HD3 LYS 24 far 0 71 0 - 8.5-31.4 HB2 LYS 39 - HD2 LYS 36 far 0 81 0 - 8.9-14.2 HB2 LYS 24 - HD3 LYS 95 far 0 99 0 - 9.1-34.0 HB2 LYS 19 - HD3 LYS 36 far 0 95 0 - 9.2-30.9 HG LEU 100 - HD2 LYS 31 far 0 58 0 - 9.6-21.5 HB2 LYS 24 - HD2 LYS 95 far 0 94 0 - 9.7-34.8 HB2 LYS 39 - HD2 LYS 19 far 0 56 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 61 0 - 9.9-21.8 HB2 LYS 39 - HD2 LYS 24 far 0 81 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 662 from aliabs.peaks (1.81, 1.66, 28.90 ppm; 6.80 A): 31 out of 80 assignments used, quality = 1.00: * HB3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.0-4.1 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.1-3.8 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-4.2 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.0-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.1-4.0 3.5=100 HB ILE 32 + HD2 LYS 36 OK 95 95 100 100 2.1-6.8 ~10901=75, ~10900=57...(69) HB ILE 32 + HD3 LYS 36 OK 90 95 95 100 2.3-8.3 ~10901=75, ~10900=57...(70) HB3 LYS 24 + HD3 LYS 24 OK 87 87 100 100 2.5-4.2 3.5=100 HB ILE 32 + HD3 LYS 31 OK 79 99 80 99 4.1-9.2 902/6.2=19, 10752/5.2=18...(81) HB VAL 93 + HD3 LYS 95 OK 78 92 85 99 5.9-8.8 2.1/9828=87...(10) HB ILE 32 + HD2 LYS 31 OK 77 96 80 99 5.5-9.5 902/6.2=19, 10752/5.2=18...(80) HB3 ARG 23 + HD3 LYS 26 OK 69 100 75 92 2.9-14.6 3.7/11449=25...(95) HB3 LYS 19 + HD2 LYS 19 OK 67 67 100 100 2.2-3.7 3.9=100 HB3 LYS 31 + HD3 LYS 26 OK 65 100 65 100 3.4-17.4 4.0/6336=10, 629/2.9=10...(180) HB3 LYS 31 + HD2 LYS 26 OK 65 100 65 100 2.9-17.3 629/2.9=10, 4.0/6335=9...(195) HB3 ARG 23 + HD2 LYS 26 OK 61 100 70 88 2.9-14.2 ~11618=10, 442/5.7=10...(98) HB3 LYS 19 + HD3 LYS 19 OK 61 61 100 100 2.1-3.7 3.9=100 HB ILE 32 + HD3 LYS 26 OK 59 100 60 99 4.0-17.6 ~10704=17, ~892=16...(72) HB ILE 32 + HD2 LYS 26 OK 59 99 60 99 4.1-18.3 ~10767=20, ~10704=17...(74) HB3 LYS 26 + HD2 LYS 31 OK 58 97 60 100 4.2-14.4 10769/10771=40, ~834=8...(263) HB3 LYS 26 + HD3 LYS 31 OK 50 99 50 100 4.5-14.4 10769/10771=33, ~834=8...(274) HB VAL 93 + HD2 LYS 95 OK 47 86 55 100 6.0-10.4 ~9828=85, ~11324=58...(11) HB2 LYS 36 + HD2 LYS 26 OK 44 100 50 89 5.1-27.9 ~1004=12, ~1003=12...(58) HB3 ARG 23 + HD2 LYS 24 OK 42 95 50 89 5.9-9.2 6214/5.9=42, ~1018=9...(49) HB2 LYS 36 + HD3 LYS 26 OK 40 100 45 89 4.4-27.1 ~1004=12, ~1003=12...(55) HB3 ARG 23 + HD3 LYS 24 OK 38 86 50 88 5.2-9.3 6214/5.9=42, ~1018=9...(46) HB3 LYS 19 + HD3 LYS 24 OK 37 83 45 99 3.5-15.3 ~822=6, ~823=6, ~1228=5...(172) HB3 LYS 19 + HD2 LYS 24 OK 37 93 40 100 2.0-16.0 ~822=6, ~823=6, ~1228=5...(206) HB3 LYS 24 + HD3 LYS 19 OK 21 64 40 84 2.0-16.3 596/5.2=3, ~305=2...(107) HB3 LYS 24 - HD2 LYS 19 poor 20 70 35 81 3.7-15.7 596/5.2=3, 2.9/828=2...(101) HB3 LYS 26 - HD2 LYS 24 poor 19 95 20 - 5.1-12.6 HB3 LYS 26 - HD3 LYS 36 poor 19 95 20 - 6.0-22.1 HB3 ARG 23 - HD3 LYS 36 poor 19 95 20 - 4.9-23.1 HB3 LYS 31 - HD2 LYS 36 poor 16 95 40 43 6.7-11.9 4.6/6347=10...(7) HB2 LYS 36 - HD3 LYS 31 far 15 99 15 - 5.9-14.3 HB2 LYS 36 - HD2 LYS 31 far 15 97 15 - 5.0-15.5 HB3 LYS 31 - HD3 LYS 36 poor 14 95 35 43 7.1-13.3 4.6/6347=10...(7) HB3 LYS 24 - HD2 LYS 26 poor 14 100 40 35 6.4-12.7 4.7/6236=17, 985/11832=2...(5) HB3 LYS 31 - HD2 LYS 19 far 10 69 15 - 3.6-27.6 HB3 LEU 122 - HD3 LYS 95 far 10 68 15 - 7.8-11.4 HB3 LYS 19 - HD3 LYS 26 far 10 99 10 - 6.5-21.5 HB3 LYS 19 - HD2 LYS 26 far 10 98 10 - 6.5-21.2 HB3 LYS 24 - HD2 LYS 31 far 10 97 10 - 5.4-17.9 HB3 LYS 24 - HD2 LYS 36 far 10 96 10 - 4.2-24.7 HB3 LYS 31 - HD3 LYS 19 far 10 64 15 - 4.1-28.8 HB3 LYS 24 - HD3 LYS 36 far 10 95 10 - 5.5-25.2 HB3 ARG 23 - HD2 LYS 36 far 10 95 10 - 5.8-22.3 HB3 LYS 26 - HD2 LYS 36 poor 9 96 30 31 6.5-21.1 10898/10837=4...(6) HB3 LYS 24 - HD3 LYS 26 poor 8 100 25 31 7.7-11.2 4.7/6237=12, ~834=2...(5) HB3 LYS 24 - HD3 LYS 31 far 5 99 5 - 6.4-19.4 HB3 LYS 24 - HD3 LYS 95 far 5 99 5 - 7.6-33.5 HB3 LYS 19 - HD3 LYS 31 far 5 97 5 - 5.9-24.7 HB2 LYS 36 - HD2 LYS 24 far 5 95 5 - 5.7-27.6 HB3 LYS 19 - HD2 LYS 31 far 5 94 5 - 6.0-24.2 HB3 LYS 24 - HD2 LYS 95 far 5 94 5 - 8.2-34.6 HB2 LYS 36 - HD3 LYS 24 far 4 86 5 - 6.9-28.2 HB ILE 32 - HD3 LYS 24 far 4 86 5 - 7.1-19.3 HB3 LYS 26 - HD3 LYS 24 lone 4 87 25 17 3.7-12.3 6251/6254=7, 511/544=4 HB3 LYS 26 - HD2 LYS 19 far 3 70 5 - 7.3-22.9 HB3 ARG 23 - HD2 LYS 19 far 3 69 5 - 6.8-14.2 HB ILE 32 - HD2 LYS 19 far 3 69 5 - 8.1-28.1 HB3 LYS 26 - HD3 LYS 19 far 3 64 5 - 6.9-24.6 HB3 ARG 23 - HD3 LYS 19 far 3 64 5 - 8.0-15.9 HB3 LEU 122 - HD2 LYS 24 far 3 63 5 - 8.2-31.5 HB ILE 32 - HD3 LYS 19 far 3 63 5 - 7.9-28.2 HB3 LEU 122 - HD2 LYS 95 far 3 62 5 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 24 far 3 55 5 - 7.3-30.5 HB2 CYS 79 - HD3 LYS 19 far 3 53 5 - 8.3-39.4 HB3 ARG 23 - HD2 LYS 31 lone 1 97 30 3 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 lone 1 99 25 3 6.2-17.9 HB3 LYS 31 - HD2 LYS 24 lone 1 95 25 3 7.6-17.9 HB3 LYS 31 - HD3 LYS 24 lone 1 86 25 3 6.8-18.8 HB ILE 32 - HD2 LYS 24 far 0 95 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 78 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 84 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 59 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 98 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 84 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 663 from aliabs.peaks (1.43, 1.66, 28.90 ppm; 5.98 A): 26 out of 72 assignments used, quality = 1.00: * HG2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 QB ALA 92 + HD3 LYS 95 OK 99 99 100 100 3.6-6.8 9948/3.7=73...(28) HG13 ILE 32 + HD2 LYS 36 OK 86 95 90 100 4.2-7.8 ~10901=51, ~10900=39...(87) HG13 ILE 32 + HD3 LYS 36 OK 86 95 90 100 3.6-8.5 ~10901=51, ~10900=39...(87) QB ALA 92 + HD2 LYS 95 OK 85 94 90 100 3.1-7.6 9948/3.7=73, 9950/3.0=56...(26) HG3 LYS 24 + HD2 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HD3 LYS 31 OK 78 99 80 98 2.0-10.3 10757/5.2=28...(64) HG3 LYS 24 + HD3 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 67 67 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 66 66 100 100 2.3-3.0 2.9=100 QB ALA 34 + HD2 LYS 36 OK 63 83 90 85 4.7-8.0 5.0/10775=42...(13) HG2 LYS 31 + HD2 LYS 31 OK 63 63 100 100 2.2-3.0 2.9=100 HG13 ILE 32 + HD2 LYS 31 OK 62 97 65 98 3.3-9.3 10757/5.2=28...(78) HG3 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HD2 LYS 26 OK 58 100 60 97 2.5-16.4 ~10767=20, ~10704=17...(73) HG13 ILE 32 + HD3 LYS 26 OK 57 100 60 95 2.0-15.6 ~10704=17, 10757/5.0=14...(62) QB ALA 34 + HD3 LYS 36 OK 56 83 85 80 4.1-8.0 5.0/10775=33...(12) HG3 LYS 36 + HD2 LYS 36 OK 56 56 100 100 2.5-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 56 56 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 26 OK 40 67 60 100 3.5-18.0 5.0/6335=7, ~629=7...(245) HG2 LYS 26 + HD2 LYS 31 OK 39 97 40 100 5.0-16.2 629/3.5=9, 628/3.5=8...(244) HG2 LYS 31 + HD3 LYS 26 OK 34 68 50 100 4.2-17.6 5.0/6336=7, ~629=7...(239) HG3 LYS 19 + HD2 LYS 24 OK 32 93 35 98 4.4-17.3 3.0/2631=4, ~823=4...(190) HG2 LYS 26 + HD3 LYS 31 OK 30 99 30 100 4.2-16.2 629/3.5=9, 628/3.5=8...(244) HG3 LYS 19 + HD3 LYS 24 OK 28 84 35 96 4.4-17.3 3.0/2631=4, ~823=4...(161) HG2 LYS 26 - HD2 LYS 24 poor 19 95 20 - 5.1-12.8 HG3 LYS 36 - HD3 LYS 26 poor 18 63 35 82 3.6-25.1 ~1004=8, ~1003=8...(57) QB ALA 34 - HD2 LYS 26 poor 18 89 20 - 4.9-20.3 HG3 LYS 24 - HD2 LYS 19 poor 17 56 40 77 2.7-16.7 597/5.2=4, 823/3.9=4...(36) HG3 LYS 24 - HD3 LYS 19 poor 16 51 40 81 2.0-17.8 597/5.2=4, 823/3.9=4...(51) HG3 LYS 36 - HD2 LYS 26 poor 15 62 25 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 26 far 13 88 15 - 6.0-12.8 HG2 LYS 31 - HD2 LYS 36 poor 12 61 20 - 6.0-13.4 HG3 LYS 19 - HD2 LYS 31 far 9 95 10 - 6.8-25.5 HG3 LYS 36 - HD3 LYS 31 far 9 61 15 - 5.6-12.6 HG3 LYS 36 - HD2 LYS 31 far 9 58 15 - 5.8-13.8 HG2 LYS 26 - HD2 LYS 36 poor 8 96 30 27 5.1-23.1 892/10763=4, 908/10837=3...(4) HG2 LYS 31 - HD3 LYS 24 far 8 53 15 - 6.0-17.5 HG2 LYS 26 - HD3 LYS 36 poor 7 95 25 27 5.7-24.0 892/10832=4, 908/10837=2...(4) HG2 LYS 31 - HD3 LYS 36 far 6 61 10 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 6 61 10 - 5.5-17.2 HG3 LYS 19 - HD3 LYS 31 far 5 98 5 - 6.4-26.0 HG13 ILE 32 - HD2 LYS 24 far 5 95 5 - 7.4-16.8 HG3 LYS 24 - HD3 LYS 26 far 4 89 5 - 5.9-11.9 HG13 ILE 32 - HD3 LYS 24 far 4 86 5 - 7.2-17.5 HG3 LYS 24 - HD2 LYS 31 far 4 83 5 - 6.7-17.1 QB ALA 34 - HD2 LYS 24 far 4 83 5 - 7.0-21.4 HG3 LYS 24 - HD2 LYS 36 far 4 81 5 - 5.1-23.7 HG3 LYS 24 - HD3 LYS 36 far 4 81 5 - 6.1-24.1 HG2 LYS 31 - HD2 LYS 19 far 4 40 10 - 5.7-26.4 QB ALA 34 - HD3 LYS 24 far 4 73 5 - 7.1-22.6 HG2 LYS 26 - HD3 LYS 24 lone 3 87 25 16 3.7-12.2 6235/544=6, 6252/6254=6...(4) HG13 ILE 32 - HD2 LYS 19 far 3 70 5 - 6.7-25.6 HG13 ILE 32 - HD3 LYS 19 far 3 64 5 - 6.2-26.5 HG3 LYS 36 - HD2 LYS 24 far 3 56 5 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 24 far 2 48 5 - 6.5-26.8 QB ALA 34 - HD3 LYS 26 lone 2 90 25 9 6.2-20.6 10109/10866=3, 10861/10783=3 HG2 LYS 31 - HD3 LYS 19 far 2 36 5 - 5.6-27.7 HG3 LYS 24 - HD3 LYS 95 far 0 86 0 - 7.8-36.0 HG3 LYS 19 - HD3 LYS 26 far 0 99 0 - 7.8-23.0 HG3 LYS 24 - HD3 LYS 31 far 0 87 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 80 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 98 0 - 8.1-22.8 QB ALA 34 - HD3 LYS 31 far 0 89 0 - 8.2-12.5 QB ALA 34 - HD2 LYS 31 far 0 85 0 - 8.3-12.7 HG2 LYS 26 - HD3 LYS 19 far 0 64 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 70 0 - 8.9-23.8 QB ALA 92 - HD3 LYS 24 far 0 87 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 95 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 37 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 33 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 664 from aliabs.peaks (1.38, 1.66, 28.90 ppm; 5.46 A): 23 out of 140 assignments used, quality = 1.00: * HG3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 96 96 100 100 2.2-3.0 2.9=100 HG2 LYS 36 + HD2 LYS 36 OK 96 96 100 100 2.3-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 95 + HD2 LYS 95 OK 94 94 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 92 92 100 100 2.2-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 64 64 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 58 58 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 50 100 50 100 3.0-16.8 834/3.5=7, 5.0/6336=6...(235) HG3 LYS 31 + HD2 LYS 26 OK 45 99 45 100 4.8-17.0 834/3.5=7, 5.0/6335=6...(244) QB ALA 28 + HD3 LYS 31 OK 37 99 55 68 2.9-9.7 6304/10771=34, ~10771=30...(11) HG3 LYS 26 + HD3 LYS 31 OK 35 99 35 100 3.4-15.4 639/3.5=8, ~629=7...(225) HG3 LYS 26 + HD2 LYS 31 OK 34 97 35 100 3.6-15.7 639/3.5=8, ~629=7...(224) HG2 LYS 19 + HD2 LYS 24 OK 30 90 35 97 3.0-17.8 3.0/2631=4, ~823=3...(173) HG2 LYS 19 + HD3 LYS 24 OK 30 80 40 94 2.7-16.9 3.0/2631=4, ~823=3...(140) QB ALA 28 + HD2 LYS 31 OK 30 97 45 69 2.1-10.6 6304/10771=41, ~10771=25...(11) HG LEU 96 + HD3 LYS 95 OK 24 88 35 77 5.8-9.4 2.1/11694=33...(16) QB ALA 29 - HD2 LYS 26 poor 20 100 20 - 4.7-11.1 QB ALA 15 - HD3 LYS 31 poor 20 99 20 - 3.8-22.6 HB2 LEU 96 - HD3 LYS 95 poor 20 99 20 - 5.9-9.0 QB ALA 29 - HD2 LYS 31 poor 19 97 35 58 2.5-9.8 ~10782=35, 749/6.2=7...(12) QB ALA 15 - HD2 LYS 31 poor 19 97 20 - 3.6-21.3 HG3 LYS 31 - HD2 LYS 36 poor 19 95 20 - 4.8-13.4 HB2 LEU 42 - HD3 LYS 36 poor 19 93 20 - 3.8-11.6 QB ALA 29 - HD3 LYS 31 poor 17 99 30 59 3.0-9.8 ~10782=35, 3.7/7749=8...(12) HG3 LYS 26 - HD3 LYS 24 poor 17 87 20 - 3.7-11.0 HG2 LYS 24 - HD2 LYS 19 poor 16 69 30 79 3.2-16.1 793/5.2=4, 835/3.9=3...(36) HG2 LYS 24 - HD3 LYS 19 poor 16 63 25 - 2.1-17.8 HG2 LYS 36 - HD2 LYS 26 far 15 100 15 - 5.9-25.5 HG3 LYS 26 - HD2 LYS 36 far 14 96 15 - 4.8-22.9 HG3 LYS 31 - HD3 LYS 36 far 14 95 15 - 4.6-13.4 HB2 LEU 96 - HD2 LYS 95 far 14 94 15 - 5.6-9.4 QB ALA 16 - HD2 LYS 19 poor 13 65 20 - 4.8-11.3 HG LEU 96 - HD2 LYS 95 far 12 81 15 - 5.0-10.2 QB ALA 16 - HD3 LYS 24 far 12 81 15 - 5.7-16.6 QB ALA 29 - HD2 LYS 36 poor 11 95 35 35 5.2-9.9 10790/10833=20...(5) HG2 LYS 36 - HD3 LYS 26 far 10 100 10 - 5.1-24.7 QB ALA 108 - HD2 LYS 26 far 10 100 10 - 6.0-26.8 QB ALA 109 - HD3 LYS 26 far 10 99 10 - 5.1-28.1 QB ALA 28 - HD3 LYS 26 poor 10 100 25 40 6.2-9.2 6265/6267=15, 6253/5.7=8...(9) QB ALA 28 - HD2 LYS 26 poor 10 100 25 40 5.4-9.5 6265/6266=15, 6253/5.7=8...(10) QB ALA 15 - HD3 LYS 19 far 10 64 15 - 3.8-12.9 QB ALA 16 - HD3 LYS 31 far 10 96 10 - 6.3-25.2 HG3 LYS 26 - HD2 LYS 24 far 10 95 10 - 5.3-11.0 HB2 LEU 42 - HD2 LYS 36 far 9 93 10 - 4.0-11.4 QB ALA 16 - HD2 LYS 31 far 9 93 10 - 5.3-24.0 QB ALA 12 - HD3 LYS 24 far 9 61 15 - 4.3-18.1 QB ALA 16 - HD2 LYS 24 far 9 91 10 - 4.9-17.1 QB ALA 29 - HD3 LYS 24 far 9 86 10 - 5.3-12.6 HG3 LYS 31 - HD3 LYS 24 far 9 86 10 - 5.9-16.5 QB ALA 29 - HD3 LYS 36 poor 8 95 25 33 5.2-10.6 10790/10833=17...(5) QB ALA 12 - HD2 LYS 24 far 7 70 10 - 5.6-18.4 QB ALA 28 - HD2 LYS 19 far 7 69 10 - 5.9-21.1 QB ALA 28 - HD3 LYS 19 far 6 64 10 - 4.6-21.9 QB ALA 16 - HD3 LYS 19 far 6 59 10 - 5.4-11.1 HG3 LYS 26 - HD3 LYS 36 poor 6 95 25 23 5.9-23.8 10704/10829=3, 10831/10832=1 QB ALA 29 - HD3 LYS 26 poor 5 100 25 21 4.5-11.4 10790/10833=4...(6) QB ALA 110 - HD3 LYS 26 far 5 100 5 - 2.4-29.3 QB ALA 108 - HD3 LYS 26 far 5 100 5 - 4.8-26.0 QB ALA 110 - HD2 LYS 26 far 5 100 5 - 3.6-30.2 HG2 LYS 24 - HD3 LYS 26 far 5 100 5 - 5.2-11.4 HG2 LYS 36 - HD3 LYS 31 far 5 99 5 - 6.7-13.2 HG2 LYS 24 - HD2 LYS 26 far 5 99 5 - 5.8-11.1 QB ALA 109 - HD2 LYS 26 far 5 99 5 - 4.4-27.7 HG2 LYS 36 - HD2 LYS 31 far 5 97 5 - 6.2-13.5 QB ALA 15 - HD2 LYS 24 far 5 95 5 - 4.1-17.3 QB ALA 108 - HD2 LYS 24 far 5 95 5 - 5.1-33.9 HG3 LYS 95 - HD2 LYS 24 far 5 95 5 - 3.4-37.4 QB ALA 29 - HD2 LYS 24 far 5 95 5 - 5.3-13.3 HG3 LYS 31 - HD2 LYS 24 far 5 95 5 - 6.0-16.9 HG2 LYS 24 - HD2 LYS 36 far 5 94 5 - 5.3-25.5 HG2 LYS 24 - HD3 LYS 36 far 5 94 5 - 6.6-25.9 HG2 LYS 95 - HD2 LYS 24 far 5 93 5 - 4.4-37.2 QB ALA 16 - HD3 LYS 36 far 5 91 5 - 6.9-25.7 QB ALA 15 - HD3 LYS 24 far 4 87 5 - 3.5-17.1 QB ALA 108 - HD3 LYS 24 far 4 86 5 - 4.5-33.1 HG3 LYS 95 - HD3 LYS 24 far 4 86 5 - 3.7-36.4 HG2 LYS 95 - HD3 LYS 24 far 4 84 5 - 4.1-36.2 QB ALA 12 - HD3 LYS 31 far 4 76 5 - 6.4-22.7 QB ALA 12 - HD2 LYS 31 far 4 72 5 - 6.7-21.6 HG3 LYS 31 - HD2 LYS 19 far 3 69 5 - 4.6-25.3 QB ALA 28 - HD3 LYS 24 lone 3 86 45 9 4.8-12.7 11150/11832=2...(3) HG3 LYS 31 - HD3 LYS 19 far 3 63 5 - 4.1-26.6 QB ALA 109 - HD3 LYS 19 far 3 62 5 - 6.6-41.1 QB ALA 28 - HD2 LYS 24 lone 2 95 25 9 4.4-13.3 11150/11832=2...(3) QB ALA 12 - HD3 LYS 19 lone 1 43 50 4 2.1-15.8 6151/6.2=1 QB ALA 12 - HD2 LYS 19 lone 1 47 45 3 2.2-15.1 6151/6.2=1 QB ALA 15 - HD2 LYS 19 lone 0 70 30 2 3.7-12.8 HG2 LYS 36 - HD2 LYS 24 far 0 95 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 70 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 99 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 96 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 64 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 68 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 99 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 95 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 95 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 100 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 91 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 69 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 97 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 99 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 64 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 97 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 94 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 85 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 87 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 96 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 99 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 98 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 95 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 94 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 95 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 96 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 94 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 97 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 97 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 93 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 64 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 70 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 94 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 70 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 97 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 70 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 71 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 90 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 99 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 70 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 97 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 91 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 87 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 665 from aliabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 99 99 - 100 HD3 LYS 95 + HD3 LYS 95 OK 99 99 - 100 HD2 LYS 31 + HD2 LYS 31 OK 96 96 - 100 HD2 LYS 24 + HD2 LYS 24 OK 95 95 - 100 HD3 LYS 36 + HD3 LYS 36 OK 95 95 - 100 HD2 LYS 36 + HD2 LYS 36 OK 95 95 - 100 HD2 LYS 95 + HD2 LYS 95 OK 93 93 - 100 HD3 LYS 24 + HD3 LYS 24 OK 85 85 - 100 HD2 LYS 19 + HD2 LYS 19 OK 66 66 - 100 HD3 LYS 19 + HD3 LYS 19 OK 58 58 - 100 Reference assignment not found: HD2 LYS 26 - HD3 LYS 26 Peak 666 from aliabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 99 99 - 100 HD3 LYS 95 + HD3 LYS 95 OK 99 99 - 100 HD2 LYS 36 + HD2 LYS 36 OK 96 96 - 100 HD2 LYS 24 + HD2 LYS 24 OK 95 95 - 100 HD3 LYS 36 + HD3 LYS 36 OK 95 95 - 100 HD2 LYS 31 + HD2 LYS 31 OK 95 95 - 100 HD2 LYS 95 + HD2 LYS 95 OK 91 91 - 100 HD3 LYS 24 + HD3 LYS 24 OK 82 82 - 100 HD2 LYS 19 + HD2 LYS 19 OK 63 63 - 100 HD3 LYS 19 + HD3 LYS 19 OK 55 55 - 100 Peak 667 from aliabs.peaks (2.96, 1.66, 28.90 ppm; 6.80 A): 34 out of 114 assignments used, quality = 1.00: * HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 79 79 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 69 69 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 69 69 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.3-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 31 OK 49 99 50 99 4.6-18.1 6338/6.2=7, 2634/3.5=5...(208) HE3 LYS 26 + HD3 LYS 31 OK 49 99 50 99 3.6-17.7 6338/6.2=7, 2634/3.5=5...(203) HE3 LYS 26 + HD2 LYS 31 OK 48 97 50 99 5.2-17.8 6338/6.2=7, 2634/3.5=5...(204) HE2 LYS 26 + HD2 LYS 31 OK 43 97 45 99 6.0-18.3 6338/6.2=7, 2634/3.5=5...(209) HE2 LYS 26 + HD2 LYS 36 OK 38 96 60 67 3.3-25.2 1004/3.5=14, 1026/3.0=7...(35) HE2 LYS 26 + HD3 LYS 36 OK 35 95 55 67 4.7-26.1 1004/3.5=14, 1026/3.0=7...(35) HE3 LYS 26 + HD2 LYS 36 OK 33 95 60 59 2.5-24.7 1003/3.5=13, ~1026=6...(22) HE2 LYS 31 + HD3 LYS 26 OK 33 100 60 55 4.2-14.6 7.1/6336=6, 4.8/661=5...(33) HE3 LYS 26 + HD3 LYS 36 OK 30 95 55 58 3.6-25.8 1003/3.5=13, ~1026=6...(22) HE3 LYS 31 + HD3 LYS 26 OK 29 99 55 54 4.6-14.9 7.1/6336=6, 4.8/661=5...(33) HE2 LYS 31 + HD2 LYS 26 OK 29 100 55 53 3.3-15.6 7.1/6335=6, 4.8/661=4...(33) HE3 LYS 31 + HD2 LYS 26 OK 28 99 55 52 4.9-15.3 7.1/6335=6, 4.8/661=4...(33) HE2 LYS 19 + HD3 LYS 24 OK 23 86 40 67 4.2-18.5 5.1/2631=4, 6.4/599=3...(47) HE2 LYS 19 + HD2 LYS 24 OK 22 95 35 67 5.2-19.0 5.1/2631=4, 3.8/827=3...(47) HE3 LYS 19 - HD3 LYS 24 poor 19 86 40 56 3.7-17.8 5.1/2631=4, 6.4/599=3...(32) HE3 LYS 19 - HD2 LYS 24 poor 19 95 35 57 3.9-18.3 5.1/2631=4, 3.8/827=3...(32) HE2 LYS 26 - HD2 LYS 24 poor 19 95 20 - 6.9-13.2 HE3 LYS 26 - HD2 LYS 24 poor 19 95 20 - 7.0-13.6 HE3 LYS 24 - HD2 LYS 19 poor 18 63 45 63 2.9-18.4 2634/3.9=4, 11770/5.2=4...(49) HE2 LYS 26 - HD3 LYS 24 poor 17 87 20 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 19 poor 17 62 45 61 2.7-18.2 2634/3.9=5, 11770/5.2=4...(46) HE3 LYS 24 - HD3 LYS 19 poor 16 57 45 63 2.2-19.0 2634/3.9=4, 11770/5.2=4...(47) HE3 LYS 36 - HD3 LYS 31 poor 15 99 45 33 5.3-12.3 6337/6.2=3...(6) HE2 LYS 24 - HD2 LYS 19 poor 15 68 35 61 2.6-17.0 2634/3.9=5, 11770/5.2=4...(48) HE3 LYS 36 - HD2 LYS 31 poor 15 97 45 33 5.7-13.3 6337/6.2=3...(6) HE2 LYS 36 - HD3 LYS 31 poor 14 99 35 40 4.3-12.0 10721/11944=2...(5) HB2 CYS 45 - HD2 LYS 31 poor 14 68 20 - 7.5-19.9 HE3 LYS 36 - HD2 LYS 26 poor 13 100 45 29 3.3-25.8 4.9/1031=7...(5) HE2 LYS 36 - HD2 LYS 31 poor 12 97 30 40 4.6-13.1 10721/11944=2...(5) HE3 LYS 36 - HD3 LYS 26 poor 11 100 40 28 3.8-24.9 4.9/1031=7...(5) HB2 CYS 45 - HD3 LYS 26 far 11 73 15 - 6.8-26.2 HB2 CYS 45 - HD2 LYS 26 far 11 72 15 - 7.7-26.6 HE2 LYS 36 - HD2 LYS 26 poor 11 100 40 26 1.9-25.5 4.9/1031=7...(5) HE2 LYS 36 - HD3 LYS 26 poor 11 100 40 26 2.9-24.6 4.9/1031=7...(6) HE2 LYS 24 - HD3 LYS 26 far 10 99 10 - 7.2-13.0 HE2 LYS 24 - HD2 LYS 26 far 10 99 10 - 7.0-12.4 HE2 LYS 24 - HD2 LYS 31 far 10 96 10 - 5.9-17.4 HE3 LYS 24 - HD2 LYS 26 far 9 95 10 - 7.6-12.5 HE3 LYS 31 - HD2 LYS 24 far 9 94 10 - 7.4-18.2 HB2 CYS 45 - HD3 LYS 36 poor 9 66 60 23 4.1-11.2 9143/11125=10, ~1448=3...(5) HB2 CYS 45 - HD2 LYS 36 poor 9 66 65 21 4.5-10.8 9143/11125=9, ~1448=3...(5) HE3 LYS 24 - HD2 LYS 31 far 9 90 10 - 6.5-18.3 HB3 ASN 121 - HD3 LYS 95 far 8 84 10 - 6.3-11.9 HB3 ASN 121 - HD2 LYS 95 far 8 78 10 - 6.6-11.6 HB2 CYS 45 - HD3 LYS 31 far 7 71 10 - 6.8-18.5 HE2 LYS 31 - HD2 LYS 36 lone 6 96 45 13 3.1-14.2 10840/10837=3...(3) HE3 LYS 31 - HD2 LYS 36 lone 5 94 45 12 3.6-14.4 10840/10837=4...(3) HE3 LYS 19 - HD3 LYS 31 far 5 99 5 - 7.7-25.4 HE2 LYS 19 - HD3 LYS 31 far 5 99 5 - 7.9-25.4 HE2 LYS 31 - HD3 LYS 36 lone 5 95 40 13 4.3-13.8 10840/10837=3...(3) HE2 LYS 24 - HD3 LYS 31 far 5 98 5 - 4.7-18.8 HE2 LYS 24 - HD3 LYS 95 far 5 98 5 - 6.6-34.7 HE2 LYS 36 - HD2 LYS 24 far 5 95 5 - 5.2-24.7 HE3 LYS 24 - HD3 LYS 26 far 5 96 5 - 7.8-13.8 HE3 LYS 36 - HD2 LYS 24 far 5 95 5 - 7.0-25.6 HE3 LYS 24 - HD3 LYS 31 far 5 94 5 - 5.0-18.2 HE2 LYS 24 - HD2 LYS 36 far 5 94 5 - 6.3-25.9 HE3 LYS 24 - HD3 LYS 95 far 5 94 5 - 5.3-36.2 HE2 LYS 24 - HD3 LYS 36 far 5 94 5 - 7.0-26.2 HE2 LYS 24 - HD2 LYS 95 far 5 93 5 - 7.6-36.1 HE3 LYS 24 - HD2 LYS 36 far 4 89 5 - 7.6-25.8 HE3 LYS 31 - HD3 LYS 36 lone 4 94 40 12 4.8-13.8 10840/10837=3...(3) HE3 LYS 24 - HD2 LYS 95 far 4 87 5 - 6.5-37.7 HE2 LYS 36 - HD3 LYS 24 far 4 87 5 - 5.7-25.1 HE3 LYS 36 - HD3 LYS 24 far 4 87 5 - 7.4-26.2 HE3 LYS 31 - HD3 LYS 24 far 4 85 5 - 7.5-19.1 HB3 ASN 121 - HD2 LYS 24 far 4 79 5 - 6.7-35.7 HE2 LYS 31 - HD2 LYS 19 far 3 70 5 - 6.4-27.0 HB3 ASN 121 - HD3 LYS 24 far 3 69 5 - 5.3-34.8 HE3 LYS 36 - HD2 LYS 19 far 3 70 5 - 7.8-34.4 HE3 LYS 26 - HD3 LYS 24 lone 3 86 25 16 5.7-13.3 9587/11832=6, 7.1/6254=4 HE3 LYS 31 - HD2 LYS 19 far 3 68 5 - 7.6-27.9 HE2 LYS 31 - HD3 LYS 19 far 3 64 5 - 6.7-28.5 HE3 LYS 36 - HD3 LYS 19 far 3 64 5 - 7.9-34.2 HE3 LYS 31 - HD3 LYS 19 far 3 62 5 - 7.5-29.3 HB3 ASN 116 - HD2 LYS 24 far 3 61 5 - 8.1-36.9 HB2 CYS 45 - HD3 LYS 24 far 3 57 5 - 7.6-23.9 HB3 ASN 116 - HD3 LYS 24 far 3 53 5 - 6.5-36.1 HE3 LYS 24 - HD3 LYS 36 far 0 89 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 97 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 44 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 51 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 66 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 87 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 97 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 70 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 70 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 64 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 51 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 100 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 44 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 668 from aliabs.peaks (2.96, 1.66, 28.90 ppm; 6.80 A): 34 out of 110 assignments used, quality = 1.00: * HE3 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 97 97 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 97 97 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 82 82 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 75 75 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 68 68 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 68 68 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.3-3.0 2.9=100 HE3 LYS 26 + HD3 LYS 31 OK 49 99 50 99 3.6-17.7 6338/6.2=7, 2634/3.5=5...(203) HE2 LYS 26 + HD3 LYS 31 OK 49 99 50 99 4.6-18.1 6338/6.2=7, 2634/3.5=5...(208) HE3 LYS 26 + HD2 LYS 31 OK 48 97 50 99 5.2-17.8 6338/6.2=7, 2634/3.5=5...(204) HE2 LYS 26 + HD2 LYS 31 OK 43 97 45 99 6.0-18.3 6338/6.2=7, 2634/3.5=5...(209) HE2 LYS 26 + HD2 LYS 36 OK 38 95 60 67 3.3-25.2 1004/3.5=14, 1026/3.0=7...(35) HE2 LYS 26 + HD3 LYS 36 OK 35 95 55 67 4.7-26.1 1004/3.5=14, 1026/3.0=7...(35) HE3 LYS 26 + HD2 LYS 36 OK 34 96 60 59 2.5-24.7 1004/3.5=13, ~1026=6...(22) HE2 LYS 31 + HD3 LYS 26 OK 33 100 60 55 4.2-14.6 7.1/6336=6, 4.8/661=5...(33) HE3 LYS 26 + HD3 LYS 36 OK 31 95 55 58 3.6-25.8 1004/3.5=13, ~1026=6...(22) HE2 LYS 31 + HD2 LYS 26 OK 29 100 55 53 3.3-15.6 7.1/6335=6, 4.8/661=4...(33) HE3 LYS 31 + HD3 LYS 26 OK 29 98 55 54 4.6-14.9 7.1/6336=6, 4.8/661=5...(33) HE3 LYS 31 + HD2 LYS 26 OK 28 97 55 52 4.9-15.3 7.1/6335=6, 4.8/661=4...(33) HE2 LYS 19 + HD3 LYS 24 OK 23 85 40 67 4.2-18.5 5.1/2631=4, 6.4/599=3...(47) HE2 LYS 19 + HD2 LYS 24 OK 22 94 35 67 5.2-19.0 5.1/2631=4, 3.8/827=3...(47) HE3 LYS 19 - HD3 LYS 24 poor 19 85 40 56 3.7-17.8 5.1/2631=4, 6.4/599=3...(32) HE3 LYS 26 - HD2 LYS 24 poor 19 95 20 - 7.0-13.6 HE2 LYS 26 - HD2 LYS 24 poor 19 95 20 - 6.9-13.2 HE3 LYS 19 - HD2 LYS 24 poor 19 94 35 57 3.9-18.3 5.1/2631=4, 3.8/827=3...(32) HE2 LYS 26 - HD3 LYS 24 poor 17 86 20 - 6.6-12.2 HE3 LYS 24 - HD2 LYS 19 poor 17 59 45 63 2.9-18.4 2634/3.9=4, 11770/5.2=4...(49) HE2 LYS 24 - HD3 LYS 19 poor 16 60 45 61 2.7-18.2 2634/3.9=5, 11770/5.2=4...(46) HE3 LYS 24 - HD3 LYS 19 poor 15 53 45 63 2.2-19.0 2634/3.9=4, 11770/5.2=4...(47) HE3 LYS 36 - HD3 LYS 31 poor 15 99 45 33 5.3-12.3 6337/6.2=3...(6) HE3 LYS 36 - HD2 LYS 31 poor 15 97 45 33 5.7-13.3 6337/6.2=3...(6) HE2 LYS 24 - HD2 LYS 19 poor 14 66 35 61 2.6-17.0 2634/3.9=5, 11770/5.2=4...(48) HE2 LYS 36 - HD3 LYS 31 poor 14 99 35 40 4.3-12.0 10721/11944=2...(5) HE3 LYS 36 - HD2 LYS 26 poor 13 100 45 29 3.3-25.8 4.9/1031=7...(5) HB2 CYS 45 - HD2 LYS 31 poor 12 60 20 - 7.5-19.9 HE2 LYS 36 - HD2 LYS 31 poor 12 97 30 40 4.6-13.1 10721/11944=2...(5) HE3 LYS 36 - HD3 LYS 26 poor 11 100 40 28 3.8-24.9 4.9/1031=7...(5) HE2 LYS 36 - HD2 LYS 26 poor 11 100 40 26 1.9-25.5 4.9/1031=7...(5) HE2 LYS 36 - HD3 LYS 26 poor 11 100 40 26 2.9-24.6 4.9/1031=7...(6) HB2 CYS 45 - HD3 LYS 26 far 10 65 15 - 6.8-26.2 HE2 LYS 24 - HD3 LYS 26 far 10 98 10 - 7.2-13.0 HE2 LYS 24 - HD2 LYS 26 far 10 97 10 - 7.0-12.4 HB2 CYS 45 - HD2 LYS 26 far 10 64 15 - 7.7-26.6 HE2 LYS 24 - HD2 LYS 31 far 9 94 10 - 5.9-17.4 HE3 LYS 31 - HD2 LYS 24 far 9 92 10 - 7.4-18.2 HE3 LYS 24 - HD2 LYS 26 far 9 91 10 - 7.6-12.5 HB3 ASN 121 - HD3 LYS 95 far 9 90 10 - 6.3-11.9 HE3 LYS 24 - HD2 LYS 31 far 9 86 10 - 6.5-18.3 HB3 ASN 121 - HD2 LYS 95 far 8 83 10 - 6.6-11.6 HB2 CYS 45 - HD2 LYS 36 lone 8 58 65 20 4.5-10.8 9143/11125=8, ~1448=3...(5) HB2 CYS 45 - HD3 LYS 36 poor 8 58 60 21 4.1-11.2 9143/11125=8, ~1448=3...(5) HB2 CYS 45 - HD3 LYS 31 far 6 64 10 - 6.8-18.5 HE2 LYS 31 - HD2 LYS 36 lone 6 95 45 13 3.1-14.2 10840/10837=3...(3) HE2 LYS 31 - HD3 LYS 36 lone 5 95 40 13 4.3-13.8 10840/10837=3...(3) HE3 LYS 19 - HD3 LYS 31 far 5 98 5 - 7.7-25.4 HE2 LYS 19 - HD3 LYS 31 far 5 98 5 - 7.9-25.4 HE3 LYS 31 - HD2 LYS 36 lone 5 92 45 12 3.6-14.4 10840/10837=4...(3) HE2 LYS 24 - HD3 LYS 31 far 5 97 5 - 4.7-18.8 HE2 LYS 24 - HD3 LYS 95 far 5 96 5 - 6.6-34.7 HE2 LYS 36 - HD2 LYS 24 far 5 95 5 - 5.2-24.7 HE3 LYS 36 - HD2 LYS 24 far 5 95 5 - 7.0-25.6 HE2 LYS 24 - HD2 LYS 36 far 5 92 5 - 6.3-25.9 HE3 LYS 24 - HD3 LYS 26 far 5 92 5 - 7.8-13.8 HE2 LYS 24 - HD3 LYS 36 far 5 92 5 - 7.0-26.2 HE3 LYS 24 - HD3 LYS 31 far 5 90 5 - 5.0-18.2 HE2 LYS 24 - HD2 LYS 95 far 5 91 5 - 7.6-36.1 HE3 LYS 24 - HD3 LYS 95 far 4 90 5 - 5.3-36.2 HE2 LYS 36 - HD3 LYS 24 far 4 86 5 - 5.7-25.1 HE3 LYS 36 - HD3 LYS 24 far 4 86 5 - 7.4-26.2 HE3 LYS 31 - HD3 LYS 36 lone 4 92 40 11 4.8-13.8 10840/10837=3...(3) HB3 ASN 121 - HD2 LYS 24 far 4 84 5 - 6.7-35.7 HE3 LYS 24 - HD2 LYS 36 far 4 84 5 - 7.6-25.8 HE3 LYS 24 - HD2 LYS 95 far 4 83 5 - 6.5-37.7 HE3 LYS 31 - HD3 LYS 24 far 4 82 5 - 7.5-19.1 HB3 ASN 121 - HD3 LYS 24 far 4 75 5 - 5.3-34.8 HE2 LYS 31 - HD2 LYS 19 far 3 69 5 - 6.4-27.0 HE3 LYS 36 - HD2 LYS 19 far 3 70 5 - 7.8-34.4 HE3 LYS 26 - HD3 LYS 24 lone 3 87 25 16 5.7-13.3 9587/11832=5, 7.1/6254=4 HE3 LYS 31 - HD2 LYS 19 far 3 66 5 - 7.6-27.9 HE2 LYS 31 - HD3 LYS 19 far 3 64 5 - 6.7-28.5 HE3 LYS 36 - HD3 LYS 19 far 3 64 5 - 7.9-34.2 HE3 LYS 31 - HD3 LYS 19 far 3 60 5 - 7.5-29.3 HB3 ASN 116 - HD2 LYS 24 far 3 53 5 - 8.1-36.9 HB2 CYS 45 - HD3 LYS 24 far 3 50 5 - 7.6-23.9 HB3 ASN 116 - HD3 LYS 24 far 2 46 5 - 6.5-36.1 HE3 LYS 24 - HD3 LYS 36 far 0 84 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 96 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 58 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 86 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 96 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 70 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 69 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 64 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 99 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 64 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 671 from aliabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 34 out of 165 assignments used, quality = 1.00: * HA LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.7-6.4 6.6=100 HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 1.9-5.7 6.5=100 HA LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.4-6.0 6.6=100 HA LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.0-5.4 6.4=100 HA LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.7 6.4=100 HA LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.5-5.6 6.5=100 HA LYS 36 + HE3 LYS 36 OK 90 90 100 100 2.9-6.5 6.0=100 HA LYS 36 + HE2 LYS 36 OK 90 90 100 100 3.9-6.2 6.0=100 HA THR 18 + HE2 LYS 19 OK 80 94 90 95 2.7-8.8 10686/3.8=65, 226/7.3=63...(8) HA THR 18 + HE3 LYS 19 OK 75 94 85 95 4.3-9.2 10686/3.8=65, 226/7.3=63...(8) HA PHE 87 + HE3 LYS 86 OK 70 71 100 99 3.9-7.4 4.9/11332=62...(13) HA THR 25 + HE2 LYS 24 OK 67 74 95 96 2.0-8.6 11128/5.1=33, ~544=27...(16) HA ARG 23 + HE2 LYS 24 OK 66 94 85 83 6.3-9.4 424/7.4=62, 833/4.0=10...(19) HA THR 25 + HE2 LYS 26 OK 63 78 85 94 2.9-9.2 582/7.1=51, 11128/4.8=28...(13) HA LYS 31 + HE3 LYS 26 OK 59 100 60 99 5.3-18.9 3.0/6338=10, ~6338=9...(175) HA LYS 31 + HE2 LYS 26 OK 55 100 55 99 5.0-18.9 3.0/6338=11, ~6338=9...(175) HA THR 25 + HE3 LYS 26 OK 54 77 75 94 2.2-9.3 582/7.1=51, 11128/4.8=28...(13) HA GLN 27 + HE3 LYS 26 OK 52 80 85 77 3.7-8.8 ~6267=31, ~6266=31...(12) HA LYS 26 + HE3 LYS 31 OK 48 98 50 97 4.4-13.1 790/4.8=9, 822/3.7=8...(155) HA ARG 23 + HE3 LYS 24 OK 46 82 70 81 5.5-9.3 424/7.4=62, 833/4.0=10...(16) HA ARG 23 + HE3 LYS 26 OK 44 97 60 76 2.0-13.5 3.8/11618=8, 424/7.1=4...(78) HA ARG 23 + HE2 LYS 26 OK 44 97 60 75 2.7-12.5 3.8/11618=12, 424/7.1=4...(78) HA THR 25 + HE3 LYS 24 OK 44 62 75 95 2.3-9.0 11128/5.1=33, ~544=27...(14) HA LYS 26 + HE2 LYS 31 OK 44 100 45 97 5.0-12.6 790/4.8=9, 822/3.7=8...(154) HA GLN 27 + HE2 LYS 26 OK 43 81 70 77 3.2-8.6 ~6267=31, ~6266=31...(12) HA LYS 19 + HE2 LYS 24 OK 43 98 45 98 1.9-16.1 822/4.0=7, 241/4.0=5...(172) HA LYS 19 + HE3 LYS 24 OK 42 86 50 96 2.9-16.7 822/4.0=7, 241/4.0=5...(170) HA LYS 36 + HE2 LYS 26 OK 36 90 45 88 3.2-29.7 3.0/1004=15, ~1004=11...(62) HA LYS 36 + HE3 LYS 26 OK 35 89 45 87 3.5-29.4 3.0/1004=14, ~1004=12...(61) HA ARG 84 + HE3 LYS 86 OK 33 48 95 71 7.1-8.5 4.9/9767=53, 2523/4.9=28 HA LEU 22 + HE3 LYS 24 OK 28 86 75 43 1.9-11.8 11967/4.0=20...(9) HA LEU 22 + HE2 LYS 24 OK 27 98 65 43 3.0-11.0 11967/4.0=20...(8) HA LYS 31 + HE2 LYS 36 OK 26 100 55 48 5.5-13.1 10753/9008=5, ~6337=4...(12) HA LYS 31 + HE3 LYS 36 OK 21 100 50 41 4.8-12.9 10753/10804=5...(7) HA ARG 23 - HE2 LYS 36 poor 19 97 20 - 5.7-25.3 HA GLN 27 - HE3 LYS 31 poor 19 76 25 - 5.0-12.1 HA THR 25 - HE3 LYS 31 poor 18 74 25 - 2.8-14.8 HA ALA 28 - HE3 LYS 31 poor 17 69 25 - 6.3-12.6 HA GLN 27 - HE2 LYS 36 poor 16 80 20 - 4.2-18.7 HA LEU 22 - HE3 LYS 26 far 15 100 15 - 5.2-15.2 HA ALA 16 - HE2 LYS 31 far 15 99 15 - 6.3-27.2 HA ARG 23 - HE2 LYS 31 far 15 97 15 - 6.0-17.4 HA ARG 23 - HE3 LYS 36 far 15 97 15 - 6.1-25.9 HA ALA 15 - HE2 LYS 31 far 14 97 15 - 5.4-27.5 HA ALA 28 - HE3 LYS 26 poor 14 72 20 - 5.4-11.4 HA GLN 61 - HE3 LYS 19 far 14 96 15 - 7.8-33.4 HA THR 18 - HE2 LYS 31 far 14 95 15 - 5.9-25.3 HA ALA 15 - HE2 LYS 24 far 14 93 15 - 3.2-24.3 HA GLN 61 - HE3 LYS 31 far 14 93 15 - 6.4-25.1 HA LYS 26 - HE3 LYS 24 far 13 87 15 - 6.6-11.5 HA ALA 21 - HE3 LYS 26 poor 13 64 20 - 7.7-16.3 HA ALA 28 - HE2 LYS 31 poor 12 73 30 55 6.8-12.9 ~10771=35, 10776/10813=2...(17) HA THR 25 - HE3 LYS 36 far 12 78 15 - 5.5-23.8 HA THR 25 - HE3 LYS 19 far 12 77 15 - 7.5-20.7 HA ALA 28 - HE3 LYS 24 poor 11 57 20 - 6.7-14.6 HA ALA 28 - HE2 LYS 26 far 11 73 15 - 5.8-11.2 HA LYS 36 - HE3 LYS 24 far 11 73 15 - 7.3-29.3 HA LYS 26 - HE2 LYS 36 far 10 100 10 - 5.2-22.3 HA LYS 19 - HE2 LYS 31 far 10 100 10 - 7.4-25.6 HA ALA 21 - HE2 LYS 26 far 10 65 15 - 6.8-17.6 HA LYS 26 - HE2 LYS 24 far 10 98 10 - 5.6-11.4 HA ALA 21 - HE2 LYS 36 far 10 65 15 - 7.2-27.3 HA LYS 31 - HE2 LYS 24 far 10 98 10 - 6.0-19.7 HA ALA 109 - HE3 LYS 26 far 10 97 10 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 10 97 10 - 4.9-30.3 HA GLN 61 - HE2 LYS 26 far 10 97 10 - 2.5-26.5 HA GLN 61 - HE2 LYS 31 far 10 97 10 - 6.6-24.3 HA GLN 61 - HE3 LYS 26 far 10 96 10 - 3.6-26.6 HA ALA 16 - HE3 LYS 31 far 10 96 10 - 5.0-28.0 HA ALA 16 - HE2 LYS 24 far 10 96 10 - 5.1-21.6 HA GLN 27 - HE3 LYS 24 far 10 64 15 - 6.5-14.9 HA GLN 61 - HE2 LYS 24 far 9 93 10 - 5.8-25.5 HA ALA 15 - HE3 LYS 31 far 9 93 10 - 5.9-26.5 HA THR 18 - HE3 LYS 31 far 9 91 10 - 5.3-25.8 HA LYS 36 - HE2 LYS 24 far 9 86 10 - 6.4-29.6 HA LYS 36 - HE3 LYS 31 far 9 86 10 - 7.1-15.1 HA ALA 16 - HE3 LYS 24 far 8 83 10 - 5.5-21.7 HA THR 25 - HE2 LYS 36 far 8 78 10 - 4.9-23.1 HA GLN 27 - HE2 LYS 24 far 8 76 10 - 7.2-14.8 HA ALA 28 - HE2 LYS 36 far 7 73 10 - 7.5-16.9 HA ALA 28 - HE2 LYS 24 far 7 69 10 - 7.6-14.9 HA ALA 21 - HE3 LYS 19 far 6 64 10 - 7.9-11.6 HA LYS 26 - HE3 LYS 36 poor 6 100 30 20 6.7-22.7 10753/10804=4 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 5.1-27.7 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 5.6-27.5 HA LYS 19 - HE2 LYS 26 far 5 100 5 - 7.6-22.7 HA LYS 19 - HE3 LYS 36 far 5 100 5 - 8.2-32.4 HA LYS 26 - HE3 LYS 19 far 5 100 5 - 8.1-22.8 HA LEU 22 - HE3 LYS 19 far 5 100 5 - 8.0-13.0 HA ALA 16 - HE3 LYS 36 far 5 99 5 - 6.3-32.1 HA ALA 16 - HE2 LYS 36 far 5 99 5 - 7.5-31.5 HA ALA 109 - HE2 LYS 26 far 5 98 5 - 5.8-33.8 HA ALA 108 - HE2 LYS 26 far 5 98 5 - 6.6-31.8 HA ALA 108 - HE2 LYS 31 far 5 98 5 - 7.5-34.3 HA LYS 19 - HE3 LYS 31 far 5 98 5 - 6.8-26.4 HA ALA 109 - HE3 LYS 19 far 5 97 5 - 6.5-51.9 HA ALA 108 - HE3 LYS 19 far 5 97 5 - 7.1-50.0 HA ALA 109 - HE2 LYS 19 far 5 97 5 - 7.5-53.5 HA ALA 108 - HE2 LYS 19 far 5 97 5 - 7.8-51.7 HA ARG 23 - HE2 LYS 19 far 5 97 5 - 7.9-15.5 HA ARG 23 - HE3 LYS 19 far 5 97 5 - 8.3-16.9 HA GLN 61 - HE2 LYS 36 far 5 96 5 - 8.2-18.1 HA ALA 108 - HE3 LYS 31 far 5 95 5 - 6.8-33.7 HA THR 18 - HE3 LYS 36 far 5 94 5 - 5.0-33.6 HA THR 18 - HE2 LYS 36 far 5 94 5 - 6.5-32.9 HA LYS 36 - HE2 LYS 31 far 5 90 5 - 7.3-13.7 HA ALA 110 - HE2 LYS 26 far 5 90 5 - 7.4-35.4 HA ALA 110 - HE3 LYS 26 far 4 89 5 - 5.9-33.9 HA ALA 110 - HE3 LYS 19 far 4 89 5 - 8.1-53.0 HA LYS 31 - HE3 LYS 24 far 4 87 5 - 7.3-20.2 HA ALA 12 - HE2 LYS 24 far 4 84 5 - 8.3-25.1 HA ALA 15 - HE3 LYS 24 far 4 80 5 - 2.7-24.2 HA GLN 61 - HE3 LYS 24 far 4 80 5 - 6.3-26.7 HA THR 25 - HE2 LYS 19 far 4 77 5 - 7.4-19.3 HA ALA 28 - HE3 LYS 36 far 4 73 5 - 6.5-17.6 HA ALA 12 - HE3 LYS 24 far 4 71 5 - 7.9-25.7 HA ALA 21 - HE3 LYS 36 far 3 65 5 - 6.5-28.1 HA ALA 21 - HE2 LYS 31 far 3 65 5 - 7.5-21.4 HA GLN 27 - HE2 LYS 31 lone 3 81 25 15 6.7-11.5 ~6266=4, ~6267=4 HA ALA 21 - HE3 LYS 31 far 3 61 5 - 7.2-21.7 HA LEU 22 - HE2 LYS 26 lone 2 100 30 7 4.0-14.7 375/876=2, 372/11618=2 HA ALA 12 - HE2 LYS 19 lone 2 88 55 4 3.7-20.1 HA ALA 12 - HE3 LYS 19 lone 2 88 45 4 4.5-19.2 HA ALA 21 - HE2 LYS 24 lone 2 61 55 4 2.6-12.5 HA ALA 16 - HE3 LYS 19 lone 2 98 35 4 4.9-11.6 7131/7.3=2 HA THR 18 - HE2 LYS 24 lone 1 91 25 7 4.8-17.4 10686/318=2 HA ALA 15 - HE3 LYS 19 lone 1 96 45 3 2.0-14.9 HA THR 18 - HE3 LYS 24 lone 1 78 30 6 4.1-17.6 10686/521=1 HA ALA 16 - HE2 LYS 19 lone 1 98 30 4 5.1-12.4 7131/7.3=2 HA THR 25 - HE2 LYS 31 lone 1 78 30 5 3.1-14.8 HA ALA 15 - HE2 LYS 19 lone 1 96 35 3 2.2-14.3 HA ALA 21 - HE3 LYS 24 lone 1 50 45 5 2.0-13.7 HA GLN 27 - HE3 LYS 36 lone 1 80 30 4 3.3-19.2 HA ARG 23 - HE3 LYS 31 lone 1 94 25 3 7.1-18.5 HA LEU 22 - HE2 LYS 36 far 0 100 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 100 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 98 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 83 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 52 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 96 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 64 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 95 0 - 8.9-40.0 HA ALA 28 - HE3 LYS 19 far 0 72 0 - 8.9-24.7 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 89 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 96 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 99 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 89 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 83 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 89 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 89 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 96 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 83 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 94 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 97 0 - 9.6-27.2 HA ALA 28 - HE2 LYS 19 far 0 72 0 - 9.7-25.6 HA LYS 19 - HE2 LYS 36 far 0 100 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 95 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 95 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 96 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 83 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 86 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 100 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 78 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 672 from aliabs.peaks (1.75, 2.96, 41.80 ppm; 6.80 A): 23 out of 56 assignments used, quality = 1.00: * HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.6-5.5 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-4.5 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 1.8-4.7 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 3.1-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 66 66 100 100 2.3-7.3 ~11243=94, 9713/3.7=86...(24) HB2 LYS 31 + HE2 LYS 26 OK 64 100 65 99 3.2-17.5 6331/6338=10, 639/3.6=9...(164) HB2 LYS 31 + HE3 LYS 26 OK 64 100 65 99 3.4-17.3 6331/6338=10, 639/3.6=9...(159) HB2 LYS 26 + HE2 LYS 31 OK 61 100 65 94 4.4-12.8 834/3.7=9, 799/7.1=8...(129) HG3 ARG 90 + HE3 LYS 86 OK 61 68 90 99 4.2-9.7 11303/9660=87...(9) HB2 LYS 26 + HE3 LYS 31 OK 51 98 55 95 4.2-12.2 834/3.7=9, 799/7.1=8...(129) HB2 ARG 23 + HE2 LYS 26 OK 45 99 60 75 3.9-14.3 3.0/11618=13, ~11618=8...(67) HB2 LYS 19 + HE3 LYS 24 OK 42 87 50 97 5.3-18.0 823/4.0=6, 1.8/2634=5...(166) HB2 ARG 23 + HE3 LYS 26 OK 41 98 55 75 3.3-14.8 ~11618=12, 3.0/11618=9...(66) HB2 LYS 19 + HE2 LYS 24 OK 33 98 35 98 4.1-17.5 823/4.0=6, 1.8/2634=5...(165) HB2 LYS 24 + HE2 LYS 19 OK 27 100 35 76 3.8-18.2 790/6.4=3, 613=2...(74) HB2 LYS 24 + HE3 LYS 19 OK 24 100 35 68 4.9-17.5 790/6.4=3, 2.9/1025=3...(57) HB2 ARG 23 + HE3 LYS 24 OK 21 84 35 72 5.8-11.2 6213/7.4=32, 481/6.4=14...(37) HB2 ARG 23 + HE2 LYS 24 OK 20 96 30 71 6.2-11.2 6213/7.4=32, 481/6.4=14...(34) HB2 LYS 31 + HE3 LYS 36 OK 20 100 60 33 4.9-12.6 6331/6337=4, 807=2, 1.8/2634=2 HB2 ARG 23 - HE3 LYS 36 poor 20 99 20 - 4.0-24.1 HB2 LYS 26 - HE3 LYS 24 poor 17 87 20 - 4.4-13.6 HB2 ARG 23 - HE2 LYS 36 far 15 99 15 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 31 far 14 96 15 - 5.7-20.0 HB2 LYS 31 - HE2 LYS 36 poor 13 100 35 37 3.5-12.9 6331/6337=2, 808/1.8=1...(6) HB2 LYS 24 - HE2 LYS 26 poor 11 100 50 21 5.6-12.3 11151/9587=6, 834/3.6=2 HB2 LYS 24 - HE2 LYS 36 far 10 100 10 - 1.9-26.5 HB2 LYS 19 - HE2 LYS 31 far 10 100 10 - 5.2-25.0 HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 6.9-18.8 HB2 LYS 19 - HE2 LYS 26 far 10 100 10 - 6.8-24.3 HB2 LYS 31 - HE3 LYS 19 far 10 100 10 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 10 100 10 - 7.3-27.5 HB2 ARG 23 - HE2 LYS 31 far 10 99 10 - 7.1-18.8 HB2 LYS 26 - HE2 LYS 24 far 10 98 10 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 10 98 10 - 4.9-20.2 HB2 LYS 24 - HE3 LYS 31 far 10 98 10 - 6.7-18.7 HB2 LYS 19 - HE3 LYS 31 far 10 98 10 - 5.9-25.9 HB2 LYS 26 - HE3 LYS 36 poor 9 100 40 23 4.9-22.7 10748/10721=3 HB2 LYS 31 - HE3 LYS 24 far 9 87 10 - 5.8-20.7 HB2 LYS 24 - HE3 LYS 26 poor 9 100 35 25 5.3-12.3 11151/9587=8, 834/3.6=2 HB2 LYS 26 - HE2 LYS 36 poor 8 100 35 23 3.3-22.3 10748/10721=3 HB2 LYS 24 - HE3 LYS 36 far 5 100 5 - 3.6-27.4 HB2 LYS 26 - HE3 LYS 19 far 5 100 5 - 8.2-24.9 HB2 LYS 19 - HE3 LYS 26 far 5 100 5 - 8.0-24.1 HB2 ARG 23 - HE3 LYS 19 far 5 98 5 - 7.5-16.1 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 89 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 98 0 - 8.9-16.3 HG13 ILE 129 - HE3 LYS 86 far 0 71 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 89 0 - 9.7-15.5 HG LEU 100 - HE3 LYS 31 far 0 59 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 71 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 673 from aliabs.peaks (1.81, 2.96, 41.80 ppm; 5.94 A): 29 out of 73 assignments used, quality = 1.00: * HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.1 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-4.8 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-5.0 4.8=100 HB ILE 32 + HE2 LYS 36 OK 95 100 95 100 3.4-7.6 ~10837=29, 10833/3.0=29...(57) HB ILE 32 + HE3 LYS 36 OK 90 100 90 100 2.0-7.9 ~10837=29, 10833/3.0=29...(56) HB3 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.8-5.3 5.1=100 HB ILE 32 + HE2 LYS 31 OK 61 100 65 94 4.3-9.5 10825=14, 3.2/10804=13...(61) HB ILE 32 + HE2 LYS 26 OK 57 100 60 96 4.8-19.8 2.1/10840=15, ~10767=14...(62) HB ILE 32 + HE3 LYS 26 OK 57 99 60 95 4.6-19.4 2.1/10840=15, ~10840=14...(62) HB3 LYS 31 + HE2 LYS 26 OK 54 100 55 97 2.2-19.2 629/3.6=9, 6332/6338=7...(145) HB3 LYS 31 + HE3 LYS 26 OK 53 100 55 97 3.3-19.0 629/3.6=9, 6332/6338=7...(142) HB ILE 32 + HE3 LYS 31 OK 51 98 55 95 4.6-10.3 10825/1.8=13, 902/7.1=12...(61) HB2 LYS 86 + HE3 LYS 86 OK 50 50 100 100 3.0-3.5 4.9=100 HB2 LYS 36 + HE2 LYS 26 OK 43 100 50 87 2.4-29.4 1.8/1004=14, ~1004=11...(49) HB2 LYS 36 + HE3 LYS 26 OK 37 100 45 83 2.6-28.9 1.8/1003=14, ~1004=11...(30) HB3 LYS 26 + HE2 LYS 31 OK 37 100 40 91 3.9-12.8 1019/3.7=7, 835/3.7=6...(117) HB3 LYS 26 + HE3 LYS 31 OK 36 98 40 91 4.4-13.0 1019/3.7=7, 835/3.7=6...(114) HB3 LYS 19 + HE3 LYS 24 OK 35 83 45 93 3.9-16.9 3.0/11770=4, 526/4.0=4...(133) HB3 ARG 23 + HE2 LYS 26 OK 34 100 50 67 3.0-13.9 3.0/11618=11, ~11618=7...(58) HB3 ARG 23 + HE3 LYS 26 OK 33 100 50 67 2.6-15.2 ~11618=10, 3.0/11618=8...(57) HB3 LYS 19 + HE2 LYS 24 OK 31 96 35 94 2.6-16.3 3.0/11770=4, 526/4.0=4...(130) HB3 LYS 24 + HE3 LYS 19 OK 24 100 35 68 4.6-17.1 2.9/1025=2, 624=2...(58) HB3 LYS 24 + HE2 LYS 19 OK 22 100 30 74 3.5-17.2 1.8/613=2, 2.9/1025=2...(70) HB3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 4.2-22.7 HB2 LYS 36 - HE2 LYS 31 poor 20 100 20 - 6.2-12.8 HB3 LYS 31 - HE2 LYS 36 poor 20 100 20 - 5.3-14.3 HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 ARG 23 - HE2 LYS 36 far 15 100 15 - 3.5-23.5 HB3 ARG 23 - HE2 LYS 31 far 15 100 15 - 6.3-18.9 HB2 LYS 36 - HE3 LYS 31 far 15 98 15 - 5.6-14.2 HB3 LYS 31 - HE2 LYS 24 far 15 98 15 - 6.0-19.3 HB3 ARG 23 - HE3 LYS 24 poor 12 86 25 54 7.0-10.6 6214/7.4=24, 1008/4.0=5...(24) HB3 LYS 24 - HE2 LYS 36 far 10 100 10 - 3.5-25.9 HB3 ARG 23 - HE3 LYS 36 far 10 100 10 - 4.4-24.0 HB3 LYS 26 - HE2 LYS 24 far 10 98 10 - 5.2-13.2 HB3 LYS 31 - HE3 LYS 36 poor 10 100 35 28 4.9-14.1 6332/6337=3...(3) HB3 ARG 23 - HE3 LYS 31 far 10 98 10 - 5.4-20.0 HB3 ARG 23 - HE2 LYS 24 far 10 98 10 - 7.2-10.3 HB3 LYS 26 - HE3 LYS 24 far 9 87 10 - 6.0-13.6 HB2 CYS 79 - HE3 LYS 86 far 6 60 10 - 6.5-10.0 HB3 LYS 26 - HE3 LYS 36 poor 5 100 25 21 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 26 far 5 99 5 - 6.1-23.7 HB3 LYS 19 - HE2 LYS 31 far 5 99 5 - 6.5-26.1 HB2 LYS 36 - HE2 LYS 24 far 5 98 5 - 6.1-29.9 HB ILE 32 - HE2 LYS 24 far 5 98 5 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 5 96 5 - 7.4-27.0 HB3 LYS 24 - HE2 LYS 26 lone 4 100 35 13 5.5-13.1 985/9587=1 HB3 LYS 31 - HE3 LYS 24 far 4 86 5 - 6.7-20.0 HB2 LYS 36 - HE3 LYS 24 far 0 87 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 98 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 69 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 63 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 100 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 86 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 77 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 55 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 100 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 71 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 78 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 674 from aliabs.peaks (1.43, 2.96, 41.80 ppm; 4.44 A): 17 out of 67 assignments used, quality = 1.00: * HG2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.0 3.6=100 HG3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-3.8 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 84 84 100 100 2.0-3.9 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 71 71 100 100 2.2-4.2 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 68 68 100 100 2.3-4.1 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 64 64 100 100 2.1-4.2 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 63 63 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 63 63 100 100 2.2-3.5 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 57 57 100 100 2.0-2.9 3.7=100 HG13 ILE 32 + HE2 LYS 36 OK 53 100 55 96 2.8-9.0 3.2/10721=18...(64) HG13 ILE 32 + HE3 LYS 36 OK 48 100 50 96 3.2-9.5 3.2/10721=20...(64) HG13 ILE 32 + HE2 LYS 31 OK 43 100 55 79 2.3-9.1 2.1/10804=12...(24) HG13 ILE 32 + HE3 LYS 26 OK 40 100 50 81 2.0-17.3 3.2/10721=11, ~10767=10...(38) HG13 ILE 32 + HE2 LYS 26 OK 37 100 45 81 2.1-17.7 3.2/10721=11...(38) HG13 ILE 32 + HE3 LYS 31 OK 31 98 40 80 2.0-9.6 10757/6.5=12, 2.1/9008=9...(41) HG2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HG3 LYS 19 - HE2 LYS 24 poor 19 96 20 - 3.4-18.5 HG3 LYS 36 - HE3 LYS 26 poor 19 62 30 - 4.4-26.9 HG3 LYS 36 - HE2 LYS 26 poor 16 63 25 - 4.5-27.4 QB ALA 34 - HE2 LYS 36 far 14 90 15 - 5.1-8.4 HG3 LYS 19 - HE3 LYS 24 far 13 84 15 - 4.8-19.1 HG3 LYS 24 - HE2 LYS 19 poor 12 88 25 53 3.7-17.8 525/5.1=2, 284/5.1=2...(8) HG3 LYS 24 - HE3 LYS 19 poor 12 88 25 53 4.5-18.1 525/5.1=2, 284/5.1=2...(9) HG2 LYS 31 - HE2 LYS 36 far 10 68 15 - 4.9-14.4 HG2 LYS 31 - HE3 LYS 26 far 10 67 15 - 5.3-19.4 HG2 LYS 31 - HE2 LYS 26 far 7 68 10 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 36 far 7 68 10 - 5.4-14.2 HG2 LYS 26 - HE2 LYS 31 far 5 100 5 - 5.4-15.0 QB ALA 34 - HE2 LYS 26 far 5 90 5 - 5.7-20.7 QB ALA 34 - HE3 LYS 36 far 5 90 5 - 5.3-9.2 HG3 LYS 24 - HE2 LYS 36 far 4 89 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 4 89 5 - 4.8-25.5 HG2 LYS 26 - HE2 LYS 36 lone 3 100 25 13 4.1-24.5 908/10766=1 HG2 LYS 31 - HE2 LYS 24 far 3 64 5 - 3.3-18.4 HG3 LYS 36 - HE2 LYS 31 far 3 63 5 - 4.4-14.3 HG3 LYS 36 - HE3 LYS 31 far 3 59 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 3 59 5 - 4.6-28.4 HG2 LYS 31 - HE3 LYS 24 far 3 53 5 - 4.0-19.0 HG2 LYS 26 - HE2 LYS 24 far 0 98 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 87 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 98 0 - 6.0-14.4 QB ALA 34 - HE3 LYS 24 far 0 73 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 89 0 - 6.1-21.1 HG3 LYS 36 - HE3 LYS 24 far 0 48 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 88 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 86 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 89 0 - 6.7-12.9 QB ALA 34 - HE2 LYS 31 far 0 90 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 86 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 67 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 99 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 98 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 67 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 99 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 84 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 100 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 89 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 100 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 71 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 87 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 62 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 87 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 675 from aliabs.peaks (1.38, 2.96, 41.80 ppm; 4.17 A): 10 out of 125 assignments used, quality = 1.00: * HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-4.2 3.7=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.0-3.9 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.3-3.2 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 86 86 100 100 2.1-4.2 4.0=100 QB ALA 28 - HE3 LYS 31 poor 20 98 20 - 4.1-9.8 QB ALA 12 - HE3 LYS 19 poor 19 77 25 - 4.2-15.1 HG2 LYS 19 - HE2 LYS 24 poor 19 93 20 - 2.9-18.6 HG2 LYS 19 - HE3 LYS 24 poor 16 80 20 - 3.9-19.3 QB ALA 15 - HE2 LYS 31 far 15 100 15 - 3.9-23.1 HG3 LYS 26 - HE2 LYS 31 far 15 100 15 - 5.0-15.0 QB ALA 29 - HE2 LYS 26 far 15 100 15 - 4.1-12.1 QB ALA 29 - HE2 LYS 31 far 15 100 15 - 4.3-10.0 QB ALA 15 - HE2 LYS 19 far 15 100 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 15 100 15 - 2.1-13.2 QB ALA 29 - HE2 LYS 36 far 15 100 15 - 5.2-11.0 HG3 LYS 31 - HE2 LYS 26 far 15 100 15 - 4.3-18.5 HG3 LYS 31 - HE2 LYS 36 far 15 100 15 - 4.3-14.3 HG3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.5-14.3 QB ALA 29 - HE3 LYS 26 far 15 100 15 - 4.0-12.1 HG3 LYS 31 - HE3 LYS 26 far 15 99 15 - 4.8-18.3 HG2 LYS 24 - HE2 LYS 19 far 15 99 15 - 4.3-16.8 QB ALA 15 - HE3 LYS 31 far 15 98 15 - 4.6-22.3 QB ALA 16 - HE3 LYS 19 far 14 97 15 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 14 97 15 - 4.4-10.6 QB ALA 28 - HE3 LYS 24 far 13 86 15 - 5.3-13.7 HG3 LYS 26 - HE3 LYS 36 far 10 100 10 - 4.4-24.9 HG3 LYS 26 - HE2 LYS 36 far 10 100 10 - 4.6-24.5 HG2 LYS 36 - HE2 LYS 26 far 10 100 10 - 5.0-27.0 QB ALA 29 - HE3 LYS 36 far 10 100 10 - 5.3-11.4 HG2 LYS 36 - HE3 LYS 26 far 10 100 10 - 5.1-26.6 HG2 LYS 24 - HE3 LYS 19 far 10 99 10 - 3.6-18.0 QB ALA 28 - HE2 LYS 24 far 10 98 10 - 4.5-13.8 QB ALA 29 - HE3 LYS 31 far 10 98 10 - 4.8-10.3 QB ALA 28 - HE2 LYS 31 poor 5 100 25 20 4.7-10.1 ~10771=13, 6334/7.1=4 QB ALA 110 - HE2 LYS 26 far 5 100 5 - 4.9-30.1 HG2 LYS 36 - HE2 LYS 31 far 5 100 5 - 5.3-13.7 QB ALA 110 - HE3 LYS 26 far 5 100 5 - 4.0-28.9 HG2 LYS 24 - HE2 LYS 36 far 5 100 5 - 4.2-26.3 QB ALA 28 - HE3 LYS 26 far 5 100 5 - 5.4-9.7 HG2 LYS 24 - HE3 LYS 26 far 5 99 5 - 5.4-12.1 QB ALA 109 - HE3 LYS 19 far 5 99 5 - 4.7-41.8 QB ALA 109 - HE2 LYS 19 far 5 99 5 - 5.1-43.2 QB ALA 109 - HE3 LYS 26 far 5 99 5 - 5.3-26.1 QB ALA 15 - HE2 LYS 24 far 5 98 5 - 2.0-19.1 HB2 LEU 42 - HE3 LYS 36 far 5 99 5 - 5.0-13.1 HG3 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.0-12.3 HG2 LYS 36 - HE3 LYS 31 far 5 98 5 - 5.1-14.9 HG3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.1-18.0 QB ALA 29 - HE2 LYS 24 far 5 98 5 - 5.6-13.5 HG3 LYS 95 - HE2 LYS 24 far 5 98 5 - 5.2-35.1 QB ALA 16 - HE3 LYS 36 far 5 97 5 - 5.5-25.6 QB ALA 16 - HE2 LYS 24 far 5 94 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 5 94 5 - 5.0-24.1 QB ALA 15 - HE3 LYS 24 far 4 87 5 - 2.0-19.1 HG3 LYS 26 - HE3 LYS 24 far 4 87 5 - 5.5-12.7 HG3 LYS 95 - HE3 LYS 24 far 4 86 5 - 4.2-36.6 HG3 LYS 31 - HE3 LYS 24 far 4 86 5 - 5.2-18.7 HG2 LYS 95 - HE3 LYS 24 far 4 84 5 - 4.3-36.3 QB ALA 16 - HE3 LYS 24 far 4 82 5 - 4.4-18.8 QB ALA 12 - HE3 LYS 24 far 3 62 5 - 5.0-19.7 QB ALA 12 - HE2 LYS 19 lone 0 77 30 1 4.2-15.0 HG2 LYS 24 - HE3 LYS 36 far 0 100 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 96 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 100 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 97 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 100 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 98 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 78 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.0-12.2 QB ALA 12 - HE2 LYS 24 far 0 74 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 87 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 86 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 98 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 93 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 100 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 99 0 - 6.6-27.0 HG3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 97 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 97 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 100 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 100 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 100 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 100 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 74 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 100 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 100 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 100 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 97 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 100 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 87 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 100 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 96 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 100 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 99 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 85 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 100 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 97 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 100 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 99 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 100 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 98 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 100 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 99 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 98 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 78 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 78 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 97 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 97 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 98 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 676 from aliabs.peaks (1.66, 2.96, 41.80 ppm; 3.84 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.5-3.0 3.0=100 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 20 100 20 - 2.5-24.7 HD2 LYS 19 - HE2 LYS 24 poor 19 95 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 19 93 20 - 2.7-18.2 HD3 LYS 19 - HE3 LYS 24 poor 16 80 20 - 2.2-19.0 HD2 LYS 36 - HE2 LYS 26 far 15 100 15 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 15 100 15 - 3.9-18.3 HD3 LYS 24 - HE3 LYS 19 far 15 99 15 - 3.7-17.8 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 100 10 - 4.7-26.1 HD2 LYS 31 - HE2 LYS 36 far 10 100 10 - 4.6-13.1 HD3 LYS 36 - HE3 LYS 26 far 10 100 10 - 3.6-25.8 HD2 LYS 24 - HE2 LYS 19 far 10 100 10 - 5.2-19.0 HD2 LYS 36 - HE3 LYS 31 far 10 98 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 98 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 8 83 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 7 99 25 28 4.2-18.5 2631/5.1=1, 632/3.8=1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD2 LYS 31 - HE3 LYS 26 far 5 99 5 - 5.2-17.8 HD2 LYS 26 - HE3 LYS 31 far 5 98 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.7-18.8 HD3 LYS 36 - HE3 LYS 31 far 5 98 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 4 87 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 4 87 5 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 98 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 99 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 98 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 98 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 86 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 86 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 98 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 91 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 78 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 98 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 99 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 48 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 97 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 86 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 97 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 95 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 87 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 98 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 86 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 54 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 66 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 95 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 87 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 99 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 83 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 95 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 99 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 98 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 98 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 98 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 92 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 96 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 90 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 97 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 78 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 83 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 94 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 96 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 89 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 677 from aliabs.peaks (1.66, 2.96, 41.80 ppm; 3.83 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.5-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD2 LYS 36 - HE3 LYS 26 poor 20 100 20 - 2.5-24.7 HD2 LYS 19 - HE2 LYS 24 poor 18 92 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 18 89 20 - 2.7-18.2 HD3 LYS 19 - HE3 LYS 24 poor 15 76 20 - 2.2-19.0 HD2 LYS 36 - HE2 LYS 26 far 15 100 15 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 15 100 15 - 3.9-18.3 HD3 LYS 24 - HE3 LYS 19 far 15 97 15 - 3.7-17.8 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 100 10 - 4.7-26.1 HD3 LYS 36 - HE3 LYS 26 far 10 100 10 - 3.6-25.8 HD2 LYS 24 - HE2 LYS 19 far 10 100 10 - 5.2-19.0 HD2 LYS 31 - HE2 LYS 36 far 10 99 10 - 4.6-13.1 HD2 LYS 36 - HE3 LYS 31 far 10 98 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 98 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 8 79 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 7 97 25 28 4.2-18.5 2631/5.1=1, 632/3.8=1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD3 LYS 31 - HE3 LYS 26 far 5 99 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 26 far 5 98 5 - 5.2-17.8 HD3 LYS 36 - HE3 LYS 31 far 5 98 5 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 5 98 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.7-18.8 HD3 LYS 95 - HE3 LYS 24 far 4 86 5 - 5.3-36.2 HD3 LYS 31 - HE3 LYS 24 far 4 86 5 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 98 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 96 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 97 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 83 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 84 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 98 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 86 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 93 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 73 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 85 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 98 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 71 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 43 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 89 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 95 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 87 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 96 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 86 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 87 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 48 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 85 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 71 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 92 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 87 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 89 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 90 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 93 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 96 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 96 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 88 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 93 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 100 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 85 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 95 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 84 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 89 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 89 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 84 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 678 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 97 97 - 100 HE3 LYS 31 + HE3 LYS 31 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 79 79 - 100 HE3 LYS 86 + HE3 LYS 86 OK 70 70 - 100 Peak 679 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 99 99 - 100 HE2 LYS 19 + HE2 LYS 19 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 95 95 - 100 HE2 LYS 24 + HE2 LYS 24 OK 95 95 - 100 HE3 LYS 24 + HE3 LYS 24 OK 75 75 - 100 HE3 LYS 86 + HE3 LYS 86 OK 69 69 - 100 Reference assignment not found: HE3 LYS 26 - HE2 LYS 26 Peak 682 from aliabs.peaks (4.27, 2.96, 41.80 ppm; 6.80 A): 34 out of 165 assignments used, quality = 1.00: * HA LYS 26 + HE3 LYS 26 OK 100 100 100 100 3.4-6.0 6.6=100 HA LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.7-6.4 6.6=100 HA LYS 31 + HE2 LYS 31 OK 100 100 100 100 1.9-5.7 6.5=100 HA LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.0-5.4 6.4=100 HA LYS 19 + HE2 LYS 19 OK 98 98 100 100 3.2-5.7 6.4=100 HA LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.5-5.6 6.5=100 HA LYS 36 + HE3 LYS 36 OK 90 90 100 100 2.9-6.5 6.0=100 HA LYS 36 + HE2 LYS 36 OK 90 90 100 100 3.9-6.2 6.0=100 HA THR 18 + HE2 LYS 19 OK 77 91 90 95 2.7-8.8 10686/3.8=65, 226/7.3=63...(8) HA THR 18 + HE3 LYS 19 OK 73 91 85 95 4.3-9.2 10686/3.8=65, 226/7.3=63...(8) HA PHE 87 + HE3 LYS 86 OK 66 67 100 98 3.9-7.4 4.9/11332=56...(13) HA THR 25 + HE2 LYS 24 OK 62 69 95 96 2.0-8.6 11128/5.1=33, ~544=27...(16) HA ARG 23 + HE2 LYS 24 OK 62 89 85 83 6.3-9.4 424/7.4=62, 833/4.0=10...(19) HA THR 25 + HE2 LYS 26 OK 62 77 85 94 2.9-9.2 582/7.1=51, 11128/4.8=28...(13) HA LYS 31 + HE3 LYS 26 OK 60 100 60 99 5.3-18.9 3.0/6338=10, ~6338=9...(175) HA THR 25 + HE3 LYS 26 OK 55 78 75 94 2.2-9.3 582/7.1=51, 11128/4.8=28...(13) HA LYS 31 + HE2 LYS 26 OK 55 100 55 99 5.0-18.9 3.0/6338=11, ~6338=9...(174) HA GLN 27 + HE3 LYS 26 OK 52 81 85 77 3.7-8.8 ~6267=31, ~6266=31...(12) HA LYS 26 + HE3 LYS 31 OK 46 94 50 97 4.4-13.1 790/4.8=9, 822/3.7=8...(155) HA ARG 23 + HE3 LYS 26 OK 44 97 60 76 2.0-13.5 3.8/11618=8, 424/7.1=4...(78) HA ARG 23 + HE2 LYS 26 OK 44 97 60 75 2.7-12.5 3.8/11618=11, 424/7.1=4...(78) HA LYS 26 + HE2 LYS 31 OK 43 100 45 97 5.0-12.6 790/4.8=9, 822/3.7=8...(154) HA GLN 27 + HE2 LYS 26 OK 43 80 70 77 3.2-8.6 ~6267=31, ~6266=31...(12) HA LYS 19 + HE2 LYS 24 OK 41 94 45 98 1.9-16.1 822/4.0=7, 241/4.0=5...(172) HA ARG 23 + HE3 LYS 24 OK 41 72 70 81 5.5-9.3 424/7.4=62, 833/4.0=10...(16) HA THR 25 + HE3 LYS 24 OK 38 53 75 95 2.3-9.0 11128/5.1=33, ~544=27...(14) HA LYS 19 + HE3 LYS 24 OK 37 77 50 96 2.9-16.7 822/4.0=7, 241/4.0=5...(170) HA LYS 36 + HE3 LYS 26 OK 35 90 45 87 3.5-29.4 3.0/1004=14, ~1004=12...(61) HA LYS 36 + HE2 LYS 26 OK 35 89 45 88 3.2-29.7 3.0/1004=14, ~1004=11...(62) HA ARG 84 + HE3 LYS 86 OK 29 45 95 68 7.1-8.5 4.9/9767=47, 2523/4.9=28 HA LYS 31 + HE2 LYS 36 OK 27 100 55 48 5.5-13.1 10753/9008=5, ~6337=4...(12) HA LEU 22 + HE2 LYS 24 OK 26 94 65 43 3.0-11.0 11967/4.0=20...(8) HA LEU 22 + HE3 LYS 24 OK 25 77 75 43 1.9-11.8 11967/4.0=20...(9) HA LYS 31 + HE3 LYS 36 OK 21 100 50 41 4.8-12.9 10753/10804=5...(7) HA GLN 27 - HE2 LYS 31 poor 20 80 25 - 6.7-11.5 HA ALA 21 - HE3 LYS 24 poor 19 43 45 - 2.0-13.7 HA ARG 23 - HE2 LYS 36 poor 19 97 20 - 5.7-25.3 HA GLN 27 - HE3 LYS 31 poor 18 71 25 - 5.0-12.1 HA THR 25 - HE3 LYS 31 poor 17 69 25 - 2.8-14.8 HA GLN 27 - HE2 LYS 36 poor 16 80 20 - 4.2-18.7 HA ALA 28 - HE3 LYS 31 poor 16 64 25 - 6.3-12.6 HA LEU 22 - HE3 LYS 26 far 15 100 15 - 5.2-15.2 HA ALA 16 - HE2 LYS 31 far 15 98 15 - 6.3-27.2 HA ALA 28 - HE3 LYS 26 poor 15 73 20 - 5.4-11.4 HA ARG 23 - HE3 LYS 36 far 15 97 15 - 6.1-25.9 HA ARG 23 - HE2 LYS 31 far 14 97 15 - 6.0-17.4 HA ALA 15 - HE2 LYS 31 far 14 96 15 - 5.4-27.5 HA THR 18 - HE2 LYS 31 far 14 94 15 - 5.9-25.3 HA GLN 61 - HE3 LYS 19 far 14 93 15 - 7.8-33.4 HA ALA 15 - HE2 LYS 24 far 13 88 15 - 3.2-24.3 HA GLN 61 - HE3 LYS 31 far 13 88 15 - 6.4-25.1 HA ALA 21 - HE3 LYS 26 poor 13 65 20 - 7.7-16.3 HA ALA 28 - HE2 LYS 31 poor 12 72 30 55 6.8-12.9 ~10771=35, 10776/10813=2...(17) HA THR 25 - HE3 LYS 36 far 12 78 15 - 5.5-23.8 HA LYS 26 - HE3 LYS 24 far 12 77 15 - 6.6-11.5 HA THR 25 - HE3 LYS 19 far 11 74 15 - 7.5-20.7 HA ALA 28 - HE2 LYS 26 far 11 72 15 - 5.8-11.2 HA LYS 26 - HE2 LYS 36 far 10 100 10 - 5.2-22.3 HA LYS 19 - HE2 LYS 31 far 10 100 10 - 7.4-25.6 HA ALA 28 - HE3 LYS 24 poor 10 49 20 - 6.7-14.6 HA ALA 109 - HE3 LYS 26 far 10 98 10 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 10 98 10 - 4.9-30.3 HA ALA 21 - HE2 LYS 36 far 10 65 15 - 7.2-27.3 HA GLN 61 - HE3 LYS 26 far 10 97 10 - 3.6-26.6 HA ALA 21 - HE2 LYS 26 far 10 64 15 - 6.8-17.6 HA GLN 61 - HE2 LYS 26 far 10 96 10 - 2.5-26.5 HA GLN 61 - HE2 LYS 31 far 10 96 10 - 6.6-24.3 HA LYS 36 - HE3 LYS 24 far 10 64 15 - 7.3-29.3 HA LYS 26 - HE2 LYS 24 far 9 94 10 - 5.6-11.4 HA LYS 31 - HE2 LYS 24 far 9 94 10 - 6.0-19.7 HA ALA 16 - HE3 LYS 31 far 9 91 10 - 5.0-28.0 HA ALA 16 - HE2 LYS 24 far 9 91 10 - 5.1-21.6 HA GLN 61 - HE2 LYS 24 far 9 88 10 - 5.8-25.5 HA ALA 15 - HE3 LYS 31 far 9 88 10 - 5.9-26.5 HA THR 18 - HE3 LYS 31 far 9 85 10 - 5.3-25.8 HA GLN 27 - HE3 LYS 24 far 8 55 15 - 6.5-14.9 HA LYS 36 - HE2 LYS 24 far 8 81 10 - 6.4-29.6 HA LYS 36 - HE3 LYS 31 far 8 81 10 - 7.1-15.1 HA THR 25 - HE2 LYS 36 far 8 78 10 - 4.9-23.1 HA ALA 16 - HE3 LYS 24 far 7 74 10 - 5.5-21.7 HA ALA 28 - HE2 LYS 36 far 7 73 10 - 7.5-16.9 HA GLN 27 - HE2 LYS 24 far 7 71 10 - 7.2-14.8 HA ALA 28 - HE2 LYS 24 far 6 64 10 - 7.6-14.9 HA LYS 26 - HE3 LYS 36 poor 6 100 30 20 6.7-22.7 10753/10804=4 HA ALA 21 - HE3 LYS 19 far 6 61 10 - 7.9-11.6 HA LYS 19 - HE3 LYS 36 far 5 100 5 - 8.2-32.4 HA LYS 19 - HE2 LYS 26 far 5 100 5 - 7.6-22.7 HA ALA 16 - HE3 LYS 36 far 5 98 5 - 6.3-32.1 HA LYS 31 - HE2 LYS 19 far 5 98 5 - 5.1-27.7 HA ALA 16 - HE2 LYS 36 far 5 98 5 - 7.5-31.5 HA LYS 31 - HE3 LYS 19 far 5 98 5 - 5.6-27.5 HA LYS 26 - HE3 LYS 19 far 5 98 5 - 8.1-22.8 HA ALA 109 - HE2 LYS 26 far 5 97 5 - 5.8-33.8 HA LEU 22 - HE3 LYS 19 far 5 98 5 - 8.0-13.0 HA ALA 108 - HE2 LYS 26 far 5 97 5 - 6.6-31.8 HA ALA 108 - HE2 LYS 31 far 5 97 5 - 7.5-34.3 HA GLN 61 - HE2 LYS 36 far 5 96 5 - 8.2-18.1 HA ALA 109 - HE3 LYS 19 far 5 95 5 - 6.5-51.9 HA ALA 108 - HE3 LYS 19 far 5 95 5 - 7.1-50.0 HA ALA 109 - HE2 LYS 19 far 5 95 5 - 7.5-53.5 HA ALA 108 - HE2 LYS 19 far 5 95 5 - 7.8-51.7 HA THR 18 - HE3 LYS 36 far 5 94 5 - 5.0-33.6 HA THR 18 - HE2 LYS 36 far 5 94 5 - 6.5-32.9 HA ARG 23 - HE2 LYS 19 far 5 94 5 - 7.9-15.5 HA ARG 23 - HE3 LYS 19 far 5 94 5 - 8.3-16.9 HA LYS 19 - HE3 LYS 31 far 5 94 5 - 6.8-26.4 HA ALA 110 - HE3 LYS 26 far 5 90 5 - 5.9-33.9 HA ALA 108 - HE3 LYS 31 far 4 90 5 - 6.8-33.7 HA LYS 36 - HE2 LYS 31 far 4 89 5 - 7.3-13.7 HA ALA 110 - HE2 LYS 26 far 4 89 5 - 7.4-35.4 HA ALA 110 - HE3 LYS 19 far 4 86 5 - 8.1-53.0 HA ALA 12 - HE2 LYS 24 far 4 79 5 - 8.3-25.1 HA LYS 31 - HE3 LYS 24 far 4 77 5 - 7.3-20.2 HA THR 25 - HE2 LYS 19 far 4 74 5 - 7.4-19.3 HA ALA 28 - HE3 LYS 36 far 4 73 5 - 6.5-17.6 HA ALA 15 - HE3 LYS 24 far 4 71 5 - 2.7-24.2 HA GLN 61 - HE3 LYS 24 far 4 71 5 - 6.3-26.7 HA ALA 21 - HE3 LYS 36 far 3 65 5 - 6.5-28.1 HA ALA 21 - HE2 LYS 31 far 3 64 5 - 7.5-21.4 HA ALA 12 - HE3 LYS 24 far 3 62 5 - 7.9-25.7 HA ALA 21 - HE3 LYS 31 far 3 57 5 - 7.2-21.7 HA LEU 22 - HE2 LYS 26 lone 2 100 30 7 4.0-14.7 375/876=2, 372/11618=2 HA ALA 12 - HE2 LYS 19 lone 2 84 55 4 3.7-20.1 HA ALA 12 - HE3 LYS 19 lone 2 84 45 4 4.5-19.2 HA ALA 16 - HE3 LYS 19 lone 1 96 35 4 4.9-11.6 7131/7.3=2 HA ALA 21 - HE2 LYS 24 lone 1 57 55 4 2.6-12.5 HA THR 18 - HE2 LYS 24 lone 1 85 25 7 4.8-17.4 10686/318=1 HA ALA 15 - HE3 LYS 19 lone 1 93 45 3 2.0-14.9 HA ALA 16 - HE2 LYS 19 lone 1 96 30 4 5.1-12.4 7131/7.3=2 HA THR 25 - HE2 LYS 31 lone 1 77 30 5 3.1-14.8 HA THR 18 - HE3 LYS 24 lone 1 68 30 6 4.1-17.6 10686/521=1 HA ALA 15 - HE2 LYS 19 lone 1 93 35 3 2.2-14.3 HA GLN 27 - HE3 LYS 36 lone 1 80 30 4 3.3-19.2 HA ARG 23 - HE3 LYS 31 lone 1 89 25 3 7.1-18.5 HA LEU 22 - HE2 LYS 36 far 0 100 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 98 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 94 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 82 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 49 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 96 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 98 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 61 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 90 0 - 8.9-40.0 HA ALA 28 - HE3 LYS 19 far 0 69 0 - 8.9-24.7 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 88 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 96 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 100 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 86 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 73 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 86 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 86 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 93 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 82 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 95 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 96 0 - 9.6-27.2 HA ALA 28 - HE2 LYS 19 far 0 69 0 - 9.7-25.6 HA LYS 19 - HE2 LYS 36 far 0 100 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 90 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 94 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 96 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 73 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 81 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 100 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 73 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 683 from aliabs.peaks (1.75, 2.96, 41.80 ppm; 6.80 A): 21 out of 56 assignments used, quality = 1.00: * HB2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.6-5.5 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.8-5.0 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 3.2-5.1 5.1=100 HB2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-4.5 5.1=100 HB2 LYS 31 + HE3 LYS 31 OK 94 94 100 100 1.8-4.7 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 77 77 100 100 3.1-5.1 5.1=100 HB2 LYS 31 + HE3 LYS 26 OK 64 100 65 99 3.4-17.3 6331/6338=10, 639/3.6=9...(159) HB2 LYS 31 + HE2 LYS 26 OK 64 100 65 99 3.2-17.5 6331/6338=10, 639/3.6=9...(164) HB ILE 80 + HE3 LYS 86 OK 62 62 100 100 2.3-7.3 ~11243=94, 9713/3.7=86...(24) HB2 LYS 26 + HE2 LYS 31 OK 61 100 65 94 4.4-12.8 834/3.7=9, 799/7.1=8...(129) HG3 ARG 90 + HE3 LYS 86 OK 57 64 90 99 4.2-9.7 11932/9655=84...(9) HB2 LYS 26 + HE3 LYS 31 OK 49 94 55 95 4.2-12.2 834/3.7=9, 799/7.1=8...(129) HB2 ARG 23 + HE2 LYS 26 OK 44 98 60 75 3.9-14.3 3.0/11618=12, ~11618=8...(67) HB2 ARG 23 + HE3 LYS 26 OK 41 99 55 75 3.3-14.8 ~11618=12, 3.0/11618=8...(66) HB2 LYS 19 + HE3 LYS 24 OK 37 77 50 97 5.3-18.0 823/4.0=6, 1.8/2634=5...(166) HB2 LYS 19 + HE2 LYS 24 OK 32 94 35 98 4.1-17.5 823/4.0=6, 1.8/2634=5...(165) HB2 LYS 24 + HE2 LYS 19 OK 26 98 35 76 3.8-18.2 790/6.4=3, 613=2...(74) HB2 LYS 24 + HE3 LYS 19 OK 23 98 35 68 4.9-17.5 790/6.4=3, 2.9/1025=3...(57) HB2 LYS 31 + HE3 LYS 36 OK 20 100 60 33 4.9-12.6 6331/6337=4, 807=2, 1.8/2634=2 HB2 ARG 23 - HE3 LYS 36 poor 20 99 20 - 4.0-24.1 HB2 ARG 23 - HE2 LYS 24 poor 19 92 30 71 6.2-11.2 6213/7.4=32, 481/6.4=14...(34) HB2 ARG 23 - HE3 LYS 24 poor 19 74 35 71 5.8-11.2 6213/7.4=32, 481/6.4=14...(37) HB2 LYS 26 - HE3 LYS 24 poor 15 77 20 - 4.4-13.6 HB2 ARG 23 - HE2 LYS 36 far 15 99 15 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 31 far 14 92 15 - 5.7-20.0 HB2 LYS 31 - HE2 LYS 36 poor 13 100 35 38 3.5-12.9 6331/6337=3, 808/1.8=1...(6) HB2 LYS 24 - HE2 LYS 26 poor 11 100 50 21 5.6-12.3 11151/9587=6, 834/3.6=2 HB2 LYS 24 - HE2 LYS 36 far 10 100 10 - 1.9-26.5 HB2 LYS 19 - HE2 LYS 31 far 10 100 10 - 5.2-25.0 HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 6.9-18.8 HB2 LYS 19 - HE2 LYS 26 far 10 100 10 - 6.8-24.3 HB2 ARG 23 - HE2 LYS 31 far 10 98 10 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 10 98 10 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 10 98 10 - 7.3-27.5 HB2 LYS 26 - HE2 LYS 24 far 9 94 10 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 9 94 10 - 4.9-20.2 HB2 LYS 24 - HE3 LYS 31 far 9 94 10 - 6.7-18.7 HB2 LYS 19 - HE3 LYS 31 far 9 94 10 - 5.9-25.9 HB2 LYS 26 - HE3 LYS 36 poor 9 100 40 23 4.9-22.7 10748/10721=3 HB2 LYS 24 - HE3 LYS 26 poor 9 100 35 24 5.3-12.3 11151/9587=8, 834/3.6=2 HB2 LYS 26 - HE2 LYS 36 poor 8 100 35 23 3.3-22.3 10748/10721=3 HB2 LYS 31 - HE3 LYS 24 far 8 77 10 - 5.8-20.7 HB2 LYS 24 - HE3 LYS 36 far 5 100 5 - 3.6-27.4 HB2 LYS 19 - HE3 LYS 26 far 5 100 5 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 5 98 5 - 8.2-24.9 HB2 ARG 23 - HE3 LYS 19 far 5 96 5 - 7.5-16.1 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 88 0 - 8.9-15.9 HB2 ARG 23 - HE2 LYS 19 far 0 96 0 - 8.9-16.3 HG13 ILE 129 - HE3 LYS 86 far 0 67 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 88 0 - 9.7-15.5 HG LEU 100 - HE3 LYS 31 far 0 54 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 62 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 684 from aliabs.peaks (1.81, 2.96, 41.80 ppm; 5.86 A): 29 out of 73 assignments used, quality = 1.00: * HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-4.8 5.1=100 HB ILE 32 + HE2 LYS 36 OK 94 100 95 100 3.4-7.6 ~10837=29, 10833/3.0=28...(57) HB3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.0-5.1 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.0-5.0 4.8=100 HB ILE 32 + HE3 LYS 36 OK 89 100 90 100 2.0-7.9 ~10837=29, 10833/3.0=28...(56) HB3 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.8-5.3 5.1=100 HB ILE 32 + HE2 LYS 31 OK 61 99 65 94 4.3-9.5 10825=13, 3.2/10804=13...(61) HB ILE 32 + HE3 LYS 26 OK 57 100 60 95 4.6-19.4 2.1/10840=15, ~10840=14...(62) HB ILE 32 + HE2 LYS 26 OK 57 99 60 95 4.8-19.8 2.1/10840=15, ~10840=13...(62) HB3 LYS 31 + HE3 LYS 26 OK 53 100 55 97 3.3-19.0 629/3.6=9, 6332/6338=7...(142) HB3 LYS 31 + HE2 LYS 26 OK 53 100 55 97 2.2-19.2 629/3.6=9, 6332/6338=7...(145) HB ILE 32 + HE3 LYS 31 OK 48 93 55 95 4.6-10.3 10825/1.8=12, 902/7.1=12...(60) HB2 LYS 86 + HE3 LYS 86 OK 47 47 100 100 3.0-3.5 4.9=100 HB2 LYS 36 + HE3 LYS 26 OK 37 100 45 82 2.6-28.9 1.8/1003=13, ~1004=11...(30) HB2 LYS 36 + HE2 LYS 26 OK 34 100 40 86 2.4-29.4 1.8/1004=13, ~1004=11...(44) HB3 LYS 26 + HE3 LYS 31 OK 34 94 40 91 4.4-13.0 1019/3.7=7, 835/3.7=6...(110) HB3 ARG 23 + HE2 LYS 26 OK 33 100 50 66 3.0-13.9 3.0/11618=10, ~11618=7...(57) HB3 ARG 23 + HE3 LYS 26 OK 33 100 50 66 2.6-15.2 ~11618=10, 3.0/11618=7...(56) HB3 LYS 26 + HE2 LYS 31 OK 32 100 35 91 3.9-12.8 1019/3.7=7, 835/3.7=6...(116) HB3 LYS 19 + HE3 LYS 24 OK 31 74 45 93 3.9-16.9 526/4.0=4, 3.0/11770=4...(132) HB3 LYS 19 + HE2 LYS 24 OK 30 91 35 93 2.6-16.3 3.0/11770=4, 526/4.0=4...(129) HB3 LYS 24 + HE3 LYS 19 OK 23 98 35 67 4.6-17.1 2.9/1025=2, 624=2...(55) HB3 LYS 24 + HE2 LYS 19 OK 21 98 30 73 3.5-17.2 1.8/613=2, 2.9/1025=2...(64) HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 4.2-22.7 HB3 LYS 31 - HE2 LYS 36 poor 20 100 20 - 5.3-14.3 HB3 ARG 23 - HE3 LYS 24 poor 15 77 20 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 36 far 15 100 15 - 3.5-23.5 HB2 LYS 36 - HE2 LYS 31 far 15 100 15 - 6.2-12.8 HB3 ARG 23 - HE2 LYS 31 far 15 100 15 - 6.3-18.9 HB2 LYS 36 - HE3 LYS 31 far 14 94 15 - 5.6-14.2 HB3 LYS 31 - HE2 LYS 24 far 14 94 15 - 6.0-19.3 HB3 LYS 24 - HE2 LYS 36 far 10 100 10 - 3.5-25.9 HB3 ARG 23 - HE3 LYS 36 far 10 100 10 - 4.4-24.0 HB3 LYS 26 - HE2 LYS 24 far 9 94 10 - 5.2-13.2 HB3 ARG 23 - HE3 LYS 31 far 9 94 10 - 5.4-20.0 HB3 ARG 23 - HE2 LYS 24 far 9 94 10 - 7.2-10.3 HB3 LYS 26 - HE3 LYS 24 far 8 77 10 - 6.0-13.6 HB3 LYS 31 - HE3 LYS 36 poor 7 100 25 27 4.9-14.1 6332/6337=3...(3) HB2 CYS 79 - HE3 LYS 86 far 6 56 10 - 6.5-10.0 HB3 LYS 26 - HE3 LYS 36 poor 5 100 25 21 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 19 - HE2 LYS 26 far 5 98 5 - 6.1-23.7 HB3 LYS 19 - HE2 LYS 31 far 5 98 5 - 6.5-26.1 HB3 LYS 31 - HE2 LYS 19 far 5 98 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 19 far 5 98 5 - 6.2-27.1 HB2 LYS 36 - HE2 LYS 24 far 5 94 5 - 6.1-29.9 HB ILE 32 - HE2 LYS 24 far 5 93 5 - 7.3-20.7 HB3 LYS 24 - HE2 LYS 26 lone 4 100 35 12 5.5-13.1 985/9587=1 HB3 LYS 31 - HE3 LYS 24 far 4 77 5 - 6.7-20.0 HB3 LYS 19 - HE3 LYS 31 far 0 91 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 77 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 98 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 65 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 59 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 98 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 76 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 78 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 98 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 47 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 98 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 67 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 98 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 77 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 685 from aliabs.peaks (1.43, 2.96, 41.80 ppm; 4.41 A): 17 out of 67 assignments used, quality = 1.00: * HG2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-4.0 3.6=100 HG2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.9 3.6=100 HG3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-3.8 3.8=100 HG3 LYS 24 + HE2 LYS 24 OK 79 79 100 100 2.0-3.9 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 67 67 100 100 2.3-4.1 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 62 62 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 62 62 100 100 2.2-3.5 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 62 62 100 100 2.2-4.2 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 59 59 100 100 2.1-4.2 3.7=100 HG2 LYS 86 + HE3 LYS 86 OK 54 54 100 100 2.0-2.9 3.7=100 HG13 ILE 32 + HE2 LYS 36 OK 53 100 55 96 2.8-9.0 3.2/10721=18...(64) HG13 ILE 32 + HE3 LYS 36 OK 48 100 50 96 3.2-9.5 3.2/10757=20...(64) HG13 ILE 32 + HE2 LYS 31 OK 43 100 55 78 2.3-9.1 2.1/10804=12...(24) HG13 ILE 32 + HE3 LYS 26 OK 40 100 50 80 2.0-17.3 3.2/10721=11, ~10767=10...(38) HG13 ILE 32 + HE2 LYS 26 OK 36 100 45 81 2.1-17.7 3.2/10721=11...(37) HG13 ILE 32 + HE3 LYS 31 OK 30 94 40 79 2.0-9.6 10757/6.5=12, 2.1/9008=9...(41) HG2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HG3 LYS 19 - HE2 LYS 24 poor 18 92 20 - 3.4-18.5 HG3 LYS 24 - HE2 LYS 19 poor 17 84 20 - 3.7-17.8 HG3 LYS 36 - HE3 LYS 26 poor 16 63 25 - 4.4-26.9 HG3 LYS 36 - HE2 LYS 26 poor 15 62 25 - 4.5-27.4 QB ALA 34 - HE2 LYS 36 far 13 90 15 - 5.1-8.4 HG3 LYS 19 - HE3 LYS 24 far 11 74 15 - 4.8-19.1 HG3 LYS 24 - HE3 LYS 19 poor 11 84 25 52 4.5-18.1 525/5.1=2, 284/5.1=2...(9) HG2 LYS 31 - HE3 LYS 26 far 10 68 15 - 5.3-19.4 HG2 LYS 31 - HE2 LYS 36 far 7 68 10 - 4.9-14.4 HG2 LYS 31 - HE3 LYS 36 far 7 68 10 - 5.4-14.2 HG2 LYS 31 - HE2 LYS 26 far 7 67 10 - 3.8-19.7 HG2 LYS 26 - HE2 LYS 31 far 5 100 5 - 5.4-15.0 QB ALA 34 - HE3 LYS 36 far 4 90 5 - 5.3-9.2 QB ALA 34 - HE2 LYS 26 far 4 89 5 - 5.7-20.7 HG3 LYS 24 - HE2 LYS 36 far 4 88 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 4 88 5 - 4.8-25.5 HG2 LYS 26 - HE2 LYS 36 lone 3 100 25 13 4.1-24.5 908/10766=1 HG3 LYS 36 - HE2 LYS 31 far 3 62 5 - 4.4-14.3 HG2 LYS 31 - HE2 LYS 24 far 3 59 5 - 3.3-18.4 HG3 LYS 36 - HE3 LYS 31 far 3 54 5 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 3 54 5 - 4.6-28.4 HG2 LYS 31 - HE3 LYS 24 far 2 45 5 - 4.0-19.0 HG2 LYS 26 - HE2 LYS 24 far 0 94 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 77 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 94 0 - 6.0-14.4 QB ALA 34 - HE3 LYS 24 far 0 64 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 90 0 - 6.1-21.1 HG3 LYS 36 - HE3 LYS 24 far 0 41 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 89 0 - 6.5-13.4 QB ALA 34 - HE2 LYS 24 far 0 81 0 - 6.7-22.8 HG3 LYS 24 - HE2 LYS 26 far 0 88 0 - 6.7-12.9 QB ALA 34 - HE2 LYS 31 far 0 89 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 81 0 - 7.1-12.4 HG2 LYS 31 - HE3 LYS 19 far 0 64 0 - 7.3-26.2 HG3 LYS 19 - HE2 LYS 31 far 0 98 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 94 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 64 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 98 0 - 8.0-25.3 HG3 LYS 24 - HE3 LYS 31 far 0 79 0 - 8.2-17.8 HG13 ILE 32 - HE3 LYS 19 far 0 98 0 - 8.4-27.1 HG3 LYS 24 - HE2 LYS 31 far 0 88 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 98 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 67 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 77 0 - 8.9-19.1 HG3 LYS 19 - HE3 LYS 26 far 0 99 0 - 9.3-25.2 HG3 LYS 19 - HE3 LYS 36 far 0 99 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 59 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 77 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 686 from aliabs.peaks (1.38, 2.96, 41.80 ppm; 4.14 A): 10 out of 125 assignments used, quality = 1.00: * HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.4-4.2 3.7=100 HG3 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.3-3.2 3.8=100 HG2 LYS 24 + HE2 LYS 24 OK 93 93 100 100 2.0-3.9 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 76 76 100 100 2.1-4.2 4.0=100 QB ALA 28 - HE3 LYS 31 poor 19 94 20 - 4.1-9.8 HG2 LYS 19 - HE2 LYS 24 poor 18 88 20 - 2.9-18.6 QB ALA 29 - HE3 LYS 26 far 15 100 15 - 4.0-12.1 HG3 LYS 31 - HE3 LYS 26 far 15 100 15 - 4.8-18.3 QB ALA 15 - HE2 LYS 31 far 15 100 15 - 3.9-23.1 QB ALA 29 - HE2 LYS 36 far 15 100 15 - 5.2-11.0 HG3 LYS 31 - HE2 LYS 36 far 15 100 15 - 4.3-14.3 HG3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.5-14.3 QB ALA 29 - HE2 LYS 26 far 15 100 15 - 4.1-12.1 QB ALA 29 - HE2 LYS 31 far 15 100 15 - 4.3-10.0 QB ALA 12 - HE3 LYS 19 poor 15 74 20 - 4.2-15.1 QB ALA 15 - HE2 LYS 19 far 15 98 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 15 98 15 - 2.1-13.2 HG2 LYS 24 - HE2 LYS 19 far 15 97 15 - 4.3-16.8 HG2 LYS 19 - HE3 LYS 24 poor 14 71 20 - 3.9-19.3 QB ALA 16 - HE3 LYS 19 far 14 94 15 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 14 94 15 - 4.4-10.6 QB ALA 15 - HE3 LYS 31 far 14 94 15 - 4.6-22.3 QB ALA 28 - HE3 LYS 24 far 11 77 15 - 5.3-13.7 HG3 LYS 26 - HE3 LYS 36 far 10 100 10 - 4.4-24.9 HG2 LYS 36 - HE3 LYS 26 far 10 100 10 - 5.1-26.6 HG3 LYS 26 - HE2 LYS 36 far 10 100 10 - 4.6-24.5 QB ALA 29 - HE3 LYS 36 far 10 100 10 - 5.3-11.4 HG3 LYS 26 - HE2 LYS 31 far 10 100 10 - 5.0-15.0 HG2 LYS 36 - HE2 LYS 26 far 10 100 10 - 5.0-27.0 HG3 LYS 31 - HE2 LYS 26 far 10 99 10 - 4.3-18.5 HG2 LYS 24 - HE3 LYS 19 far 10 97 10 - 3.6-18.0 QB ALA 28 - HE2 LYS 24 far 9 94 10 - 4.5-13.8 QB ALA 29 - HE3 LYS 31 far 9 94 10 - 4.8-10.3 QB ALA 110 - HE3 LYS 26 far 5 100 5 - 4.0-28.9 QB ALA 28 - HE3 LYS 26 far 5 100 5 - 5.4-9.7 QB ALA 110 - HE2 LYS 26 far 5 100 5 - 4.9-30.1 QB ALA 28 - HE2 LYS 31 poor 5 100 25 20 4.7-10.1 ~10771=13, 6334/7.1=4 HG2 LYS 36 - HE2 LYS 31 far 5 100 5 - 5.3-13.7 HG2 LYS 24 - HE2 LYS 36 far 5 99 5 - 4.2-26.3 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 5.4-12.1 QB ALA 109 - HE3 LYS 26 far 5 99 5 - 5.3-26.1 HB2 LEU 42 - HE3 LYS 36 far 5 98 5 - 5.0-13.1 QB ALA 16 - HE3 LYS 36 far 5 97 5 - 5.5-25.6 QB ALA 109 - HE3 LYS 19 far 5 97 5 - 4.7-41.8 QB ALA 109 - HE2 LYS 19 far 5 97 5 - 5.1-43.2 QB ALA 15 - HE2 LYS 24 far 5 94 5 - 2.0-19.1 HG3 LYS 26 - HE2 LYS 24 far 5 94 5 - 5.0-12.3 HG2 LYS 36 - HE3 LYS 31 far 5 94 5 - 5.1-14.9 QB ALA 29 - HE2 LYS 24 far 5 94 5 - 5.6-13.5 HG3 LYS 31 - HE2 LYS 24 far 5 93 5 - 4.1-18.0 HG3 LYS 95 - HE2 LYS 24 far 5 93 5 - 5.2-35.1 QB ALA 16 - HE2 LYS 24 far 4 89 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 4 89 5 - 5.0-24.1 QB ALA 15 - HE3 LYS 24 far 4 77 5 - 2.0-19.1 HG3 LYS 26 - HE3 LYS 24 far 4 77 5 - 5.5-12.7 HG3 LYS 95 - HE3 LYS 24 far 4 76 5 - 4.2-36.6 HG3 LYS 31 - HE3 LYS 24 far 4 76 5 - 5.2-18.7 HG2 LYS 95 - HE3 LYS 24 far 4 74 5 - 4.3-36.3 QB ALA 16 - HE3 LYS 24 far 4 72 5 - 4.4-18.8 QB ALA 12 - HE3 LYS 24 far 3 53 5 - 5.0-19.7 QB ALA 12 - HE2 LYS 19 lone 0 74 30 1 4.2-15.0 HG2 LYS 24 - HE3 LYS 36 far 0 99 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 92 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 98 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 94 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 97 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 100 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 99 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 94 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 77 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 98 0 - 6.0-12.2 QB ALA 12 - HE2 LYS 24 far 0 69 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 77 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 77 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 94 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 98 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 94 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 88 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 100 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 99 0 - 6.6-27.0 HG3 LYS 31 - HE2 LYS 19 far 0 98 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 93 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 97 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 98 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 100 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 100 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 98 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 69 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 98 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 96 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 100 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 100 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 92 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 99 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 100 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 77 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 98 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 96 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 98 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 96 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 98 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 75 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 98 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 92 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 98 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 98 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 98 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 94 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 98 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 99 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 99 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 78 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 78 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 97 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 97 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 94 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 687 from aliabs.peaks (1.66, 2.96, 41.80 ppm; 3.81 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD3 LYS 31 + HE3 LYS 31 OK 94 94 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.3-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 92 92 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 75 75 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 65 65 100 100 2.5-3.0 3.0=100 HD2 LYS 36 - HE3 LYS 26 poor 20 100 20 - 2.5-24.7 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD3 LYS 24 - HE2 LYS 19 poor 19 97 20 - 4.2-18.5 HD2 LYS 19 - HE2 LYS 24 poor 18 90 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 18 88 20 - 2.7-18.2 HD2 LYS 36 - HE2 LYS 26 far 15 100 15 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 15 98 15 - 3.9-18.3 HD3 LYS 24 - HE3 LYS 19 far 15 97 15 - 3.7-17.8 HD3 LYS 19 - HE3 LYS 24 far 11 71 15 - 2.2-19.0 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD3 LYS 36 - HE3 LYS 26 far 10 100 10 - 3.6-25.8 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 100 10 - 4.7-26.1 HD2 LYS 24 - HE2 LYS 19 far 10 98 10 - 5.2-19.0 HD2 LYS 36 - HE3 LYS 31 far 9 94 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 9 94 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 7 73 10 - 2.9-18.4 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD2 LYS 31 - HE3 LYS 26 far 5 100 5 - 5.2-17.8 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD2 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.6-13.1 HD2 LYS 26 - HE3 LYS 31 far 5 94 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 94 5 - 4.7-18.8 HD3 LYS 36 - HE3 LYS 31 far 5 94 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 4 77 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 0 77 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 98 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 99 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 93 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 94 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 98 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 76 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 76 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 94 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 85 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 68 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 94 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 66 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 99 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 45 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 88 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 92 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 77 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 93 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 90 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 77 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 98 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 77 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 50 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 57 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 90 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 77 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 82 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 94 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 98 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 97 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 89 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 96 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 89 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 73 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 82 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 95 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 90 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 688 from aliabs.peaks (1.66, 2.96, 41.80 ppm; 3.81 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 93 93 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.4-3.0 2.9=100 HD2 LYS 31 + HE3 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 90 90 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 89 89 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 89 89 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 73 73 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 65 65 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 63 63 100 100 2.5-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD3 LYS 24 - HE2 LYS 19 poor 19 95 20 - 4.2-18.5 HD2 LYS 19 - HE2 LYS 24 poor 17 87 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 17 84 20 - 2.7-18.2 HD2 LYS 36 - HE2 LYS 26 far 15 100 15 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 15 98 15 - 3.9-18.3 HD3 LYS 24 - HE3 LYS 19 far 14 95 15 - 3.7-17.8 HD3 LYS 19 - HE3 LYS 24 far 10 67 15 - 2.2-19.0 HD3 LYS 36 - HE3 LYS 26 far 10 100 10 - 3.6-25.8 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 100 10 - 4.7-26.1 HD2 LYS 24 - HE2 LYS 19 far 10 98 10 - 5.2-19.0 HD2 LYS 36 - HE3 LYS 31 far 9 94 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 9 94 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 7 70 10 - 2.9-18.4 HD2 LYS 36 - HE3 LYS 26 poor 5 100 20 26 2.5-24.7 3.5/1003=4...(9) HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD3 LYS 31 - HE2 LYS 26 far 5 99 5 - 4.6-18.1 HD2 LYS 31 - HE3 LYS 26 far 5 99 5 - 5.2-17.8 HD2 LYS 31 - HE2 LYS 36 far 5 99 5 - 4.6-13.1 HD3 LYS 36 - HE3 LYS 31 far 5 94 5 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 5 94 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 93 5 - 4.7-18.8 HD3 LYS 31 - HE3 LYS 24 far 4 76 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 0 77 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 98 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 95 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 92 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 94 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 95 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 95 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 74 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 74 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 97 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 94 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 81 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 92 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 64 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 84 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 94 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 67 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 94 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 40 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 84 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 90 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 77 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 91 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 87 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 77 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 98 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 77 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 98 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 45 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 84 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 62 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 87 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 77 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 96 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 88 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 89 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 96 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 92 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 95 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 95 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 95 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 84 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 93 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 84 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 96 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 79 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 88 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 90 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 85 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 689 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 98 98 - 100 HE3 LYS 19 + HE3 LYS 19 OK 98 98 - 100 HE2 LYS 24 + HE2 LYS 24 OK 92 92 - 100 HE3 LYS 31 + HE3 LYS 31 OK 92 92 - 100 HE3 LYS 24 + HE3 LYS 24 OK 70 70 - 100 HE3 LYS 86 + HE3 LYS 86 OK 66 66 - 100 Reference assignment not found: HE2 LYS 26 - HE3 LYS 26 Peak 690 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 97 97 - 100 HE3 LYS 19 + HE3 LYS 19 OK 97 97 - 100 HE2 LYS 24 + HE2 LYS 24 OK 90 90 - 100 HE3 LYS 31 + HE3 LYS 31 OK 90 90 - 100 HE3 LYS 24 + HE3 LYS 24 OK 65 65 - 100 HE3 LYS 86 + HE3 LYS 86 OK 65 65 - 100 Peak 693 from aliabs.peaks (4.25, 4.25, 55.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 27 + HA GLN 27 OK 100 100 - 100 Peak 694 from aliabs.peaks (1.96, 4.25, 55.75 ppm; 3.06 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 27 + HA GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 30 - HA GLN 27 far 0 68 0 - 6.5-9.5 HG LEU 53 - HA GLN 27 far 0 60 0 - 7.2-28.1 HB2 PRO 58 - HA GLN 27 far 0 90 0 - 7.4-23.1 HB3 LEU 53 - HA GLN 27 far 0 60 0 - 8.4-29.4 HB ILE 37 - HA GLN 27 far 0 100 0 - 9.8-18.9 Violated in 0 structures by 0.00 A. Peak 695 from aliabs.peaks (2.06, 4.25, 55.75 ppm; 3.00 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 27 + HA GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 44 - HA GLN 27 far 5 98 5 - 3.4-23.5 HB2 GLU 102 - HA GLN 27 far 0 87 0 - 7.7-29.8 HG3 PRO 58 - HA GLN 27 far 0 100 0 - 8.3-23.2 HB2 LEU 62 - HA GLN 27 far 0 99 0 - 8.9-22.6 Violated in 1 structures by 0.00 A. Peak 696 from aliabs.peaks (2.34, 4.25, 55.75 ppm; 3.46 A): 2 out of 5 assignments used, quality = 1.00: HG3 GLN 27 + HA GLN 27 OK 99 100 100 99 2.3-3.7 3.7=81, 4.9/700=33...(15) * HG2 GLN 27 + HA GLN 27 OK 99 100 100 99 2.4-3.8 3.7=81, 4.9/700=33...(14) HG2 GLU 44 - HA GLN 27 far 3 63 5 - 4.4-25.6 HG2 GLU 102 - HA GLN 27 far 0 90 0 - 5.2-30.4 HG3 GLN 68 - HA GLN 27 far 0 71 0 - 7.0-16.7 Violated in 0 structures by 0.00 A. Peak 697 from aliabs.peaks (2.34, 4.25, 55.75 ppm; 3.46 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 27 + HA GLN 27 OK 99 100 100 99 2.3-3.7 3.7=81, 4.9/700=33...(15) HG2 GLN 27 + HA GLN 27 OK 99 100 100 99 2.4-3.8 3.7=81, 4.9/700=33...(14) HG2 GLU 44 - HA GLN 27 far 3 57 5 - 4.4-25.6 HG2 GLU 102 - HA GLN 27 far 0 87 0 - 5.2-30.4 HG3 GLN 68 - HA GLN 27 far 0 65 0 - 7.0-16.7 Violated in 0 structures by 0.00 A. Peak 702 from aliabs.peaks (4.25, 1.96, 29.25 ppm; 3.53 A): 2 out of 11 assignments used, quality = 1.00: * HA GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 28 + HB2 GLN 27 OK 93 100 95 98 3.7-5.9 3.0/6297=45, ~6298=34...(24) HA SER 94 - HB2 GLN 27 far 5 98 5 - 4.3-29.1 HA LEU 22 - HB2 GLN 27 far 4 87 5 - 5.0-16.1 HA ALA 29 - HB2 GLN 27 far 4 83 5 - 5.0-7.7 HA ALA 108 - HB2 GLN 27 far 3 57 5 - 4.0-30.1 HA LYS 26 - HB2 GLN 27 far 0 81 0 - 5.2-6.6 HA LYS 19 - HB2 GLN 27 far 0 73 0 - 5.5-21.8 HA LYS 31 - HB2 GLN 27 far 0 76 0 - 5.7-11.5 HA ALA 109 - HB2 GLN 27 far 0 57 0 - 6.9-31.8 HA SER 99 - HB2 GLN 27 far 0 76 0 - 8.8-26.0 Violated in 0 structures by 0.00 A. Peak 703 from aliabs.peaks (1.96, 1.96, 29.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 27 + HB2 GLN 27 OK 100 100 - 100 Peak 704 from aliabs.peaks (2.06, 1.96, 29.25 ppm; 2.68 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 44 - HB2 GLN 27 far 10 98 10 - 2.4-24.0 HB2 GLU 102 - HB2 GLN 27 far 0 87 0 - 8.7-28.0 HB VAL 57 - HB2 GLN 27 far 0 68 0 - 8.7-25.3 HG3 PRO 58 - HB2 GLN 27 far 0 100 0 - 9.5-24.0 HB VAL 118 - HB2 GLN 27 far 0 100 0 - 9.8-23.4 HB2 LEU 62 - HB2 GLN 27 far 0 99 0 - 9.9-23.0 HB3 GLU 55 - HB2 GLN 27 far 0 78 0 - 9.9-32.7 Violated in 0 structures by 0.00 A. Peak 705 from aliabs.peaks (2.34, 1.96, 29.25 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 44 - HB2 GLN 27 far 6 63 10 - 3.5-26.7 HG2 GLU 102 - HB2 GLN 27 far 0 90 0 - 5.8-28.6 HG3 GLN 68 - HB2 GLN 27 far 0 71 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 706 from aliabs.peaks (2.34, 1.96, 29.25 ppm; 3.96 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 27 + HB2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 44 - HB2 GLN 27 far 6 57 10 - 3.5-26.7 HG2 GLU 102 - HB2 GLN 27 far 0 87 0 - 5.8-28.6 HG3 GLU 55 - HB2 GLN 27 far 0 60 0 - 9.2-31.0 HG3 GLN 68 - HB2 GLN 27 far 0 65 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 711 from aliabs.peaks (4.25, 2.06, 29.25 ppm; 3.57 A): 2 out of 11 assignments used, quality = 1.00: * HA GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 28 + HB3 GLN 27 OK 64 100 65 99 4.1-5.6 3.0/6298=62, 702/1.8=36...(25) HA ALA 29 - HB3 GLN 27 far 0 83 0 - 5.3-7.9 HA ALA 108 - HB3 GLN 27 far 0 57 0 - 5.4-31.6 HA SER 94 - HB3 GLN 27 far 0 98 0 - 5.6-28.7 HA LYS 19 - HB3 GLN 27 far 0 73 0 - 5.8-22.0 HA LEU 22 - HB3 GLN 27 far 0 87 0 - 5.9-17.0 HA LYS 26 - HB3 GLN 27 far 0 81 0 - 5.9-6.6 HA LYS 31 - HB3 GLN 27 far 0 76 0 - 6.6-12.2 HA ALA 109 - HB3 GLN 27 far 0 57 0 - 7.4-33.2 HA SER 99 - HB3 GLN 27 far 0 76 0 - 8.0-27.6 Violated in 0 structures by 0.00 A. Peak 712 from aliabs.peaks (1.96, 2.06, 29.25 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 30 - HB3 GLN 27 far 0 68 0 - 5.0-9.7 HG LEU 53 - HB3 GLN 27 far 0 60 0 - 6.1-28.8 HB3 LEU 53 - HB3 GLN 27 far 0 60 0 - 7.2-30.7 HB2 GLU 55 - HB3 GLN 27 far 0 68 0 - 7.9-32.2 HB2 PRO 58 - HB3 GLN 27 far 0 90 0 - 9.3-24.1 HB3 LYS 95 - HB3 GLN 27 far 0 71 0 - 9.5-29.1 HB2 LYS 95 - HB3 GLN 27 far 0 63 0 - 9.6-28.3 HB ILE 37 - HB3 GLN 27 far 0 100 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 713 from aliabs.peaks (2.06, 2.06, 29.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 27 + HB3 GLN 27 OK 100 100 - 100 Peak 714 from aliabs.peaks (2.34, 2.06, 29.25 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 44 - HB3 GLN 27 far 9 63 15 - 3.9-27.4 HG2 GLU 102 - HB3 GLN 27 far 5 90 5 - 4.3-30.3 HG3 GLN 68 - HB3 GLN 27 far 0 71 0 - 8.4-16.6 Violated in 0 structures by 0.00 A. Peak 715 from aliabs.peaks (2.34, 2.06, 29.25 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 27 + HB3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 44 - HB3 GLN 27 far 9 57 15 - 3.9-27.4 HG2 GLU 102 - HB3 GLN 27 far 4 87 5 - 4.3-30.3 HG3 GLN 68 - HB3 GLN 27 far 0 65 0 - 8.4-16.6 HG3 GLU 55 - HB3 GLN 27 far 0 60 0 - 9.0-31.8 Violated in 0 structures by 0.00 A. Peak 720 from aliabs.peaks (4.25, 2.34, 33.67 ppm; 3.59 A): 4 out of 23 assignments used, quality = 1.00: * HA GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.4-3.8 3.7=91, 697/1.8=38...(14) HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.3-3.7 3.7=91, 696/1.8=38...(15) HA SER 124 + HG2 GLN 127 OK 92 96 100 95 2.0-4.5 11672/1.8=49...(14) HA LYS 26 + HG3 GLN 27 OK 23 80 50 58 4.0-6.2 3.6/6274=25...(9) HA LYS 26 - HG2 GLN 27 poor 13 81 30 52 3.9-7.0 3.6/6273=25...(9) HA LYS 31 - HG3 GLN 27 far 8 75 10 - 4.7-13.6 HA ALA 108 - HG2 GLN 27 far 6 57 10 - 4.5-32.6 HA ALA 28 - HG2 GLN 27 far 5 100 5 - 4.2-6.9 HA ALA 108 - HG3 GLN 27 far 3 57 5 - 4.5-31.0 HA ALA 28 - HG3 GLN 27 far 0 100 0 - 5.1-6.7 HA ALA 109 - HG2 GLN 27 far 0 57 0 - 5.6-34.5 HA SER 94 - HG2 GLN 27 far 0 98 0 - 5.7-30.3 HA ALA 29 - HG3 GLN 27 far 0 82 0 - 5.9-8.1 HA ALA 109 - HG3 GLN 27 far 0 57 0 - 6.1-32.9 HA LYS 31 - HG2 GLN 27 far 0 76 0 - 6.3-13.5 HA ALA 29 - HG2 GLN 27 far 0 83 0 - 6.4-9.0 HA SER 99 - HG2 GLN 27 far 0 76 0 - 6.5-28.5 HA SER 94 - HG3 GLN 27 far 0 98 0 - 6.7-28.9 HA LEU 22 - HG2 GLN 27 far 0 87 0 - 7.0-16.6 HA LYS 19 - HG3 GLN 27 far 0 73 0 - 7.1-22.3 HA LYS 19 - HG2 GLN 27 far 0 73 0 - 7.2-23.5 HA LEU 22 - HG3 GLN 27 far 0 86 0 - 7.5-15.4 HA SER 99 - HG3 GLN 27 far 0 75 0 - 7.8-27.1 Violated in 0 structures by 0.00 A. Peak 721 from aliabs.peaks (1.96, 2.34, 33.67 ppm; 3.07 A): 2 out of 20 assignments used, quality = 1.00: * HB2 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 53 - HG2 GLN 127 far 8 55 15 - 3.1-7.1 HB3 LEU 53 - HG2 GLN 127 far 5 55 10 - 4.1-8.0 HB2 GLU 30 - HG2 GLN 27 far 3 68 5 - 4.1-11.4 HB2 GLU 30 - HG3 GLN 27 far 3 68 5 - 4.2-11.3 HB2 PRO 58 - HG3 GLN 27 far 0 90 0 - 7.7-25.2 HB2 PRO 58 - HG2 GLN 27 far 0 90 0 - 8.1-25.7 HB3 LYS 95 - HG2 GLN 27 far 0 71 0 - 8.2-29.2 HB2 LYS 95 - HG2 GLN 27 far 0 63 0 - 8.5-28.9 HG LEU 53 - HG2 GLN 27 far 0 60 0 - 8.5-29.5 HB ILE 37 - HG3 GLN 27 far 0 100 0 - 8.7-20.5 HG LEU 53 - HG3 GLN 27 far 0 60 0 - 9.1-28.3 HB2 LYS 95 - HG2 GLN 127 far 0 57 0 - 9.3-11.6 HB2 GLU 55 - HG2 GLN 27 far 0 68 0 - 9.3-33.3 HB3 LEU 53 - HG2 GLN 27 far 0 60 0 - 9.4-31.4 HB3 LYS 95 - HG2 GLN 127 far 0 65 0 - 9.4-12.2 HB2 GLU 55 - HG3 GLN 27 far 0 68 0 - 9.6-32.5 HB3 LYS 95 - HG3 GLN 27 far 0 70 0 - 9.7-28.0 HB2 LYS 95 - HG3 GLN 27 far 0 62 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 722 from aliabs.peaks (2.06, 2.34, 33.67 ppm; 3.11 A): 3 out of 19 assignments used, quality = 1.00: * HB3 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 86 86 100 100 2.2-3.0 3.0=100 HB3 GLU 44 - HG3 GLN 27 far 5 98 5 - 4.6-24.3 HB3 GLU 44 - HG2 GLN 27 far 0 98 0 - 4.7-24.4 HB2 GLU 128 - HG2 GLN 127 far 0 83 0 - 6.0-7.8 HB2 GLU 102 - HG2 GLN 27 far 0 87 0 - 6.6-30.3 HB2 GLU 102 - HG3 GLN 27 far 0 86 0 - 6.7-28.8 HG3 PRO 58 - HG3 GLN 27 far 0 100 0 - 7.0-25.4 HB VAL 118 - HG2 GLN 27 far 0 100 0 - 7.5-25.4 HB2 LEU 62 - HG3 GLN 27 far 0 99 0 - 7.6-24.2 HB2 LEU 62 - HG2 GLN 27 far 0 99 0 - 8.0-25.1 HG3 PRO 58 - HG2 GLN 27 far 0 100 0 - 8.2-25.9 HB VAL 118 - HG3 GLN 27 far 0 100 0 - 8.6-24.2 HB VAL 57 - HG3 GLN 27 far 0 68 0 - 9.1-26.5 HB2 LEU 62 - HG2 GLN 127 far 0 95 0 - 9.3-13.2 HB2 GLN 127 - HG3 GLN 27 far 0 91 0 - 9.7-27.5 HG3 GLN 134 - HG3 GLN 27 far 0 94 0 - 9.8-28.5 HB VAL 57 - HG2 GLN 27 far 0 68 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 723 from aliabs.peaks (2.34, 2.34, 33.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 27 + HG2 GLN 27 OK 100 100 - 100 HG3 GLN 27 + HG3 GLN 27 OK 100 100 - 100 HG2 GLN 127 + HG2 GLN 127 OK 97 97 - 100 Peak 724 from aliabs.peaks (2.34, 2.34, 33.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 GLN 27 + HG2 GLN 27 OK 100 100 - 100 HG3 GLN 27 + HG3 GLN 27 OK 100 100 - 100 HG2 GLN 127 + HG2 GLN 127 OK 96 96 - 100 Reference assignment not found: HG3 GLN 27 - HG2 GLN 27 Peak 729 from aliabs.peaks (4.25, 2.34, 33.67 ppm; 3.59 A): 4 out of 23 assignments used, quality = 1.00: * HA GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.3-3.7 3.7=91, 696/1.8=38...(15) HA GLN 27 + HG2 GLN 27 OK 99 100 100 100 2.4-3.8 3.7=91, 697/1.8=38...(14) HA SER 124 + HG2 GLN 127 OK 91 95 100 95 2.0-4.5 11672/1.8=49...(14) HA LYS 26 + HG3 GLN 27 OK 23 81 50 58 4.0-6.2 3.6/6274=25...(9) HA LYS 26 - HG2 GLN 27 poor 13 80 30 52 3.9-7.0 3.6/6273=25...(9) HA LYS 31 - HG3 GLN 27 far 8 76 10 - 4.7-13.6 HA ALA 108 - HG2 GLN 27 far 6 57 10 - 4.5-32.6 HA ALA 28 - HG2 GLN 27 far 5 100 5 - 4.2-6.9 HA ALA 108 - HG3 GLN 27 far 3 57 5 - 4.5-31.0 HA ALA 28 - HG3 GLN 27 far 0 100 0 - 5.1-6.7 HA ALA 109 - HG2 GLN 27 far 0 57 0 - 5.6-34.5 HA SER 94 - HG2 GLN 27 far 0 98 0 - 5.7-30.3 HA ALA 29 - HG3 GLN 27 far 0 83 0 - 5.9-8.1 HA ALA 109 - HG3 GLN 27 far 0 57 0 - 6.1-32.9 HA LYS 31 - HG2 GLN 27 far 0 75 0 - 6.3-13.5 HA ALA 29 - HG2 GLN 27 far 0 82 0 - 6.4-9.0 HA SER 99 - HG2 GLN 27 far 0 75 0 - 6.5-28.5 HA SER 94 - HG3 GLN 27 far 0 98 0 - 6.7-28.9 HA LEU 22 - HG2 GLN 27 far 0 86 0 - 7.0-16.6 HA LYS 19 - HG3 GLN 27 far 0 73 0 - 7.1-22.3 HA LYS 19 - HG2 GLN 27 far 0 73 0 - 7.2-23.5 HA LEU 22 - HG3 GLN 27 far 0 87 0 - 7.5-15.4 HA SER 99 - HG3 GLN 27 far 0 76 0 - 7.8-27.1 Violated in 0 structures by 0.00 A. Peak 730 from aliabs.peaks (1.96, 2.34, 33.67 ppm; 3.07 A): 2 out of 20 assignments used, quality = 1.00: * HB2 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 53 - HG2 GLN 127 far 8 54 15 - 3.1-7.1 HB3 LEU 53 - HG2 GLN 127 far 5 54 10 - 4.1-8.0 HB2 GLU 30 - HG3 GLN 27 far 3 68 5 - 4.2-11.3 HB2 GLU 30 - HG2 GLN 27 far 3 68 5 - 4.1-11.4 HB2 PRO 58 - HG3 GLN 27 far 0 90 0 - 7.7-25.2 HB2 PRO 58 - HG2 GLN 27 far 0 90 0 - 8.1-25.7 HB3 LYS 95 - HG2 GLN 27 far 0 70 0 - 8.2-29.2 HB2 LYS 95 - HG2 GLN 27 far 0 62 0 - 8.5-28.9 HG LEU 53 - HG2 GLN 27 far 0 60 0 - 8.5-29.5 HB ILE 37 - HG3 GLN 27 far 0 100 0 - 8.7-20.5 HG LEU 53 - HG3 GLN 27 far 0 60 0 - 9.1-28.3 HB2 LYS 95 - HG2 GLN 127 far 0 57 0 - 9.3-11.6 HB2 GLU 55 - HG2 GLN 27 far 0 68 0 - 9.3-33.3 HB3 LEU 53 - HG2 GLN 27 far 0 60 0 - 9.4-31.4 HB3 LYS 95 - HG2 GLN 127 far 0 64 0 - 9.4-12.2 HB2 GLU 55 - HG3 GLN 27 far 0 68 0 - 9.6-32.5 HB3 LYS 95 - HG3 GLN 27 far 0 71 0 - 9.7-28.0 HB2 LYS 95 - HG3 GLN 27 far 0 63 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 731 from aliabs.peaks (2.06, 2.34, 33.67 ppm; 3.11 A): 3 out of 19 assignments used, quality = 1.00: * HB3 GLN 27 + HG3 GLN 27 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 27 + HG2 GLN 27 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 127 + HG2 GLN 127 OK 85 85 100 100 2.2-3.0 3.0=100 HB3 GLU 44 - HG3 GLN 27 far 5 98 5 - 4.6-24.3 HB3 GLU 44 - HG2 GLN 27 far 0 98 0 - 4.7-24.4 HB2 GLU 128 - HG2 GLN 127 far 0 82 0 - 6.0-7.8 HB2 GLU 102 - HG2 GLN 27 far 0 86 0 - 6.6-30.3 HB2 GLU 102 - HG3 GLN 27 far 0 87 0 - 6.7-28.8 HG3 PRO 58 - HG3 GLN 27 far 0 100 0 - 7.0-25.4 HB VAL 118 - HG2 GLN 27 far 0 100 0 - 7.5-25.4 HB2 LEU 62 - HG3 GLN 27 far 0 99 0 - 7.6-24.2 HB2 LEU 62 - HG2 GLN 27 far 0 99 0 - 8.0-25.1 HG3 PRO 58 - HG2 GLN 27 far 0 100 0 - 8.2-25.9 HB VAL 118 - HG3 GLN 27 far 0 100 0 - 8.6-24.2 HB VAL 57 - HG3 GLN 27 far 0 68 0 - 9.1-26.5 HB2 LEU 62 - HG2 GLN 127 far 0 95 0 - 9.3-13.2 HB2 GLN 127 - HG3 GLN 27 far 0 92 0 - 9.7-27.5 HG3 GLN 134 - HG3 GLN 27 far 0 95 0 - 9.8-28.5 HB VAL 57 - HG2 GLN 27 far 0 68 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 732 from aliabs.peaks (2.34, 2.34, 33.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLN 27 + HG3 GLN 27 OK 100 100 - 100 HG2 GLN 27 + HG2 GLN 27 OK 100 100 - 100 HG2 GLN 127 + HG2 GLN 127 OK 96 96 - 100 Reference assignment not found: HG2 GLN 27 - HG3 GLN 27 Peak 733 from aliabs.peaks (2.34, 2.34, 33.67 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 27 + HG3 GLN 27 OK 100 100 - 100 HG2 GLN 27 + HG2 GLN 27 OK 100 100 - 100 HG2 GLN 127 + HG2 GLN 127 OK 96 96 - 100 Peak 738 from aliabs.peaks (4.24, 4.24, 52.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 28 + HA ALA 28 OK 100 100 - 100 HA ALA 29 + HA ALA 29 OK 55 55 - 100 Peak 739 from aliabs.peaks (1.38, 4.24, 52.34 ppm; 2.50 A): 3 out of 28 assignments used, quality = 1.00: * QB ALA 28 + HA ALA 28 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 29 + HA ALA 29 OK 67 67 100 100 2.1-2.1 2.1=100 QB ALA 29 + HA ALA 28 OK 40 99 75 53 3.7-4.3 742=18, 6311/3.6=13...(16) QB ALA 108 - HA ALA 28 far 5 100 5 - 3.1-24.1 HG3 LYS 31 - HA ALA 29 far 3 69 5 - 2.7-8.8 QB ALA 28 - HA ALA 29 far 0 69 0 - 4.2-5.1 HG3 LYS 26 - HA ALA 29 far 0 69 0 - 4.4-11.5 HG3 LYS 31 - HA ALA 28 far 0 100 0 - 5.2-11.0 HG3 LYS 26 - HA ALA 28 far 0 100 0 - 5.7-9.0 HG2 LYS 24 - HA ALA 29 far 0 66 0 - 6.0-14.7 QB ALA 110 - HA ALA 28 far 0 100 0 - 6.6-27.6 QB ALA 108 - HA ALA 29 far 0 68 0 - 6.6-21.8 HG2 LYS 36 - HA ALA 29 far 0 68 0 - 6.8-14.4 HG2 LYS 24 - HA ALA 28 far 0 99 0 - 7.0-12.9 QB ALA 15 - HA ALA 28 far 0 100 0 - 7.1-20.7 QB ALA 15 - HA ALA 29 far 0 69 0 - 7.1-21.4 HG2 LYS 19 - HA ALA 28 far 0 93 0 - 7.8-23.6 HG LEU 96 - HA ALA 28 far 0 95 0 - 8.0-21.8 QB ALA 12 - HA ALA 28 far 0 71 0 - 8.0-21.0 QB ALA 109 - HA ALA 28 far 0 100 0 - 8.4-26.4 QB ALA 109 - HA ALA 29 far 0 69 0 - 9.2-23.8 HG3 LYS 95 - HA ALA 28 far 0 100 0 - 9.3-27.3 HG LEU 96 - HA ALA 29 far 0 61 0 - 9.4-18.2 QB ALA 12 - HA ALA 29 far 0 41 0 - 9.5-21.9 QB ALA 16 - HA ALA 29 far 0 67 0 - 9.6-19.4 HB2 LEU 42 - HA ALA 29 far 0 63 0 - 9.6-17.6 HG2 LYS 19 - HA ALA 29 far 0 59 0 - 9.7-24.2 QB ALA 16 - HA ALA 28 far 0 99 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 742 from aliabs.peaks (4.24, 1.38, 19.04 ppm; 2.50 A): 3 out of 74 assignments used, quality = 1.00: * HA ALA 28 + QB ALA 28 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 29 + QB ALA 29 OK 84 84 100 100 2.1-2.1 2.1=100 HA ALA 28 + QB ALA 29 OK 40 98 75 54 3.7-4.3 739=19, 3.6/6309=13...(16) HA LYS 31 - QB ALA 15 far 10 67 15 - 1.9-22.8 HA GLN 27 - QB ALA 28 far 10 100 10 - 3.8-5.0 HA LYS 26 - QB ALA 28 far 7 73 10 - 3.8-7.4 HB THR 115 - QB ALA 109 far 6 61 10 - 3.5-12.8 HA ALA 28 - QB ALA 108 far 5 95 5 - 3.1-24.1 HA LEU 22 - QB ALA 28 far 4 81 5 - 2.0-15.4 HA SER 99 - QB ALA 110 far 4 78 5 - 3.3-17.8 HA LEU 22 - QB ALA 108 far 4 73 5 - 3.4-34.1 HA LYS 26 - QB ALA 110 far 3 69 5 - 3.4-31.5 HA LYS 19 - QB ALA 15 far 3 64 5 - 3.6-11.2 HA GLU 30 - QB ALA 15 far 3 59 5 - 3.7-23.5 HA SER 99 - QB ALA 108 lone 0 75 30 0 3.1-14.1 HA LYS 26 - QB ALA 109 far 0 71 0 - 4.0-28.9 HA GLU 30 - QB ALA 29 far 0 56 0 - 4.1-4.3 HA GLN 27 - QB ALA 29 far 0 97 0 - 4.1-7.7 HA ALA 29 - QB ALA 28 far 0 89 0 - 4.2-5.1 HA GLU 30 - QB ALA 28 far 0 60 0 - 4.3-5.5 HA GLN 27 - QB ALA 108 far 0 95 0 - 4.4-26.4 HB THR 115 - QB ALA 110 far 0 58 0 - 4.5-11.4 HA LYS 31 - QB ALA 16 far 0 61 0 - 4.5-22.4 HA SER 51 - QB ALA 16 far 0 59 0 - 4.6-31.5 HA GLN 27 - QB ALA 110 far 0 97 0 - 4.7-30.1 HA LYS 26 - QB ALA 29 far 0 69 0 - 5.0-9.8 HA SER 94 - QB ALA 28 far 0 99 0 - 5.1-23.0 HA SER 99 - QB ALA 109 far 0 81 0 - 5.2-15.1 HA LYS 26 - QB ALA 108 far 0 66 0 - 5.2-27.3 HA SER 51 - QB ALA 15 far 0 64 0 - 5.3-32.9 HA LYS 19 - QB ALA 28 far 0 65 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 68 0 - 5.5-7.8 HA LYS 26 - QB ALA 15 far 0 72 0 - 5.6-18.8 HA LYS 19 - QB ALA 16 far 0 59 0 - 5.7-9.7 HB3 SER 38 - QB ALA 16 far 0 53 0 - 5.7-29.8 HA GLU 30 - QB ALA 108 far 0 53 0 - 5.9-22.9 HA SER 94 - QB ALA 29 far 0 96 0 - 6.0-18.2 HA LEU 22 - QB ALA 109 far 0 79 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 64 0 - 6.1-7.3 HA GLU 30 - QB ALA 109 far 0 58 0 - 6.6-23.9 HA ALA 28 - QB ALA 110 far 0 98 0 - 6.6-27.6 HA ALA 29 - QB ALA 108 far 0 81 0 - 6.6-21.8 HA LYS 19 - QB ALA 110 far 0 61 0 - 6.8-43.3 HA LYS 26 - QB ALA 16 far 0 66 0 - 6.9-18.9 HA GLN 27 - QB ALA 109 far 0 99 0 - 6.9-28.3 HA LEU 22 - QB ALA 29 far 0 76 0 - 7.0-15.2 HA ALA 28 - QB ALA 15 far 0 100 0 - 7.1-20.7 HA ALA 29 - QB ALA 15 far 0 88 0 - 7.1-21.4 HA LEU 22 - QB ALA 110 far 0 76 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 80 0 - 7.3-14.9 HB3 SER 38 - QB ALA 15 far 0 59 0 - 7.4-30.5 HB THR 115 - QB ALA 108 far 0 56 0 - 7.4-14.5 HA GLU 30 - QB ALA 16 far 0 53 0 - 7.5-21.9 HA LYS 31 - QB ALA 108 far 0 61 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 64 0 - 7.8-40.6 HA SER 51 - QB ALA 29 far 0 61 0 - 8.0-20.2 HA LYS 19 - QB ALA 29 far 0 61 0 - 8.0-19.1 HA LEU 22 - QB ALA 16 far 0 73 0 - 8.0-13.8 HB THR 115 - QB ALA 16 far 0 56 0 - 8.2-40.0 HA ALA 28 - QB ALA 109 far 0 99 0 - 8.4-26.4 HA SER 94 - QB ALA 108 far 0 94 0 - 8.5-19.6 HA LYS 19 - QB ALA 108 far 0 58 0 - 8.5-39.5 HA GLU 30 - QB ALA 110 far 0 56 0 - 9.0-25.3 HB THR 115 - QB ALA 15 far 0 62 0 - 9.0-43.9 HA LYS 31 - QB ALA 109 far 0 66 0 - 9.1-27.0 HA ALA 29 - QB ALA 109 far 0 87 0 - 9.2-23.8 HA GLN 27 - QB ALA 15 far 0 100 0 - 9.4-19.7 HA SER 51 - QB ALA 28 far 0 65 0 - 9.5-23.6 HA SER 124 - QB ALA 110 far 0 98 0 - 9.6-21.0 HA ALA 29 - QB ALA 16 far 0 81 0 - 9.6-19.4 HB3 SER 38 - QB ALA 29 far 0 56 0 - 9.7-15.9 HA ALA 28 - QB ALA 16 far 0 96 0 - 9.9-19.1 HA SER 99 - QB ALA 29 far 0 78 0 - 9.9-17.9 HA SER 99 - QB ALA 15 far 0 82 0 - 10.0-38.6 Violated in 0 structures by 0.00 A. Peak 743 from aliabs.peaks (1.38, 1.38, 19.04 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * QB ALA 28 + QB ALA 28 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 100 100 - 100 QB ALA 109 + QB ALA 109 OK 99 99 - 100 QB ALA 110 + QB ALA 110 OK 98 98 - 100 QB ALA 29 + QB ALA 29 OK 96 96 - 100 QB ALA 108 + QB ALA 108 OK 94 94 - 100 QB ALA 16 + QB ALA 16 OK 93 93 - 100 Peak 745 from aliabs.peaks (8.25, 4.23, 52.30 ppm; 4.84 A): 6 out of 9 assignments used, quality = 1.00: * H ALA 29 + HA ALA 29 OK 100 100 100 100 2.3-2.9 2.9=100 H LYS 31 + HA ALA 29 OK 86 90 100 95 3.0-4.9 4.0/10782=37...(14) H GLU 30 + HA ALA 29 OK 85 85 100 100 2.7-3.1 3.6=100 H ALA 29 + HA ALA 28 OK 69 69 100 100 2.1-3.5 3.6=100 H GLU 30 + HA ALA 28 OK 47 52 100 90 3.4-5.1 6316/2.1=34, 4.6/6310=25...(13) H LYS 31 + HA ALA 28 OK 20 57 55 65 5.1-6.9 6334/2.1=17...(11) H ARG 23 - HA ALA 28 poor 12 61 20 - 4.3-14.8 H ARG 23 - HA ALA 29 far 0 95 0 - 7.9-16.5 H LEU 96 - HA ALA 28 far 0 38 0 - 8.0-22.9 Violated in 0 structures by 0.00 A. Peak 746 from aliabs.peaks (4.23, 4.23, 52.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 29 + HA ALA 29 OK 100 100 - 100 HA ALA 28 + HA ALA 28 OK 55 55 - 100 Peak 747 from aliabs.peaks (1.38, 4.23, 52.30 ppm; 2.50 A): 3 out of 28 assignments used, quality = 1.00: * QB ALA 29 + HA ALA 29 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 28 + HA ALA 28 OK 67 67 100 100 2.1-2.1 2.1=100 QB ALA 29 + HA ALA 28 OK 27 69 75 52 3.7-4.3 750=16, 6311/3.6=13...(16) HG3 LYS 31 - HA ALA 29 far 5 99 5 - 2.7-8.8 QB ALA 108 - HA ALA 28 far 3 69 5 - 3.1-24.1 QB ALA 28 - HA ALA 29 far 0 99 0 - 4.2-5.1 HG3 LYS 26 - HA ALA 29 far 0 100 0 - 4.4-11.5 HG3 LYS 31 - HA ALA 28 far 0 67 0 - 5.2-11.0 HG3 LYS 26 - HA ALA 28 far 0 69 0 - 5.7-9.0 HG2 LYS 24 - HA ALA 29 far 0 100 0 - 6.0-14.7 QB ALA 110 - HA ALA 28 far 0 68 0 - 6.6-27.6 QB ALA 108 - HA ALA 29 far 0 100 0 - 6.6-21.8 HG2 LYS 36 - HA ALA 29 far 0 100 0 - 6.8-14.4 HG2 LYS 24 - HA ALA 28 far 0 69 0 - 7.0-12.9 QB ALA 15 - HA ALA 28 far 0 69 0 - 7.1-20.7 QB ALA 15 - HA ALA 29 far 0 100 0 - 7.1-21.4 HG2 LYS 19 - HA ALA 28 far 0 66 0 - 7.8-23.6 HG LEU 96 - HA ALA 28 far 0 52 0 - 8.0-21.8 QB ALA 12 - HA ALA 28 far 0 52 0 - 8.0-21.0 QB ALA 109 - HA ALA 28 far 0 65 0 - 8.4-26.4 QB ALA 109 - HA ALA 29 far 0 98 0 - 9.2-23.8 HG3 LYS 95 - HA ALA 28 far 0 67 0 - 9.3-27.3 HG LEU 96 - HA ALA 29 far 0 85 0 - 9.4-18.2 QB ALA 12 - HA ALA 29 far 0 85 0 - 9.5-21.9 QB ALA 16 - HA ALA 29 far 0 95 0 - 9.6-19.4 HB2 LEU 42 - HA ALA 29 far 0 100 0 - 9.6-17.6 HG2 LYS 19 - HA ALA 29 far 0 99 0 - 9.7-24.2 QB ALA 16 - HA ALA 28 far 0 61 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 748 from aliabs.peaks (8.27, 4.23, 52.30 ppm; 5.45 A): 4 out of 10 assignments used, quality = 1.00: * H GLU 30 + HA ALA 29 OK 100 100 100 100 2.7-3.1 3.6=100 H ALA 29 + HA ALA 29 OK 85 85 100 100 2.3-2.9 2.9=100 H GLU 30 + HA ALA 28 OK 66 69 100 95 3.4-5.1 6316/2.1=44, 4.6/6310=29...(15) H ALA 29 + HA ALA 28 OK 52 52 100 100 2.1-3.5 3.6=100 H ARG 23 - HA ALA 28 poor 13 67 20 - 4.3-14.8 H ARG 23 - HA ALA 29 far 0 99 0 - 7.9-16.5 H LEU 96 - HA ALA 28 far 0 66 0 - 8.0-22.9 H LEU 43 - HA ALA 29 far 0 83 0 - 8.3-18.9 H LEU 43 - HA ALA 28 far 0 50 0 - 8.7-22.8 H SER 99 - HA ALA 28 far 0 43 0 - 9.7-24.0 Violated in 0 structures by 0.00 A. Peak 749 from aliabs.peaks (8.25, 1.38, 19.00 ppm; 5.20 A): 6 out of 38 assignments used, quality = 1.00: * H ALA 29 + QB ALA 29 OK 100 100 100 100 2.2-3.0 2.9=100 H ALA 29 + QB ALA 28 OK 98 98 100 100 2.6-3.7 3.7=100 H LYS 31 + QB ALA 29 OK 87 90 100 96 4.0-5.6 759/4.9=40, 4.6/6316=40...(11) H GLU 30 + QB ALA 29 OK 85 85 100 100 3.5-3.7 3.7=100 H LYS 31 + QB ALA 28 OK 82 86 100 95 3.1-5.7 4.9/10792=46...(12) H GLU 30 + QB ALA 28 OK 78 80 100 98 2.4-3.9 6321/10792=46...(13) H LYS 31 - QB ALA 15 poor 18 89 20 - 3.9-21.1 H GLU 30 - QB ALA 15 far 12 83 15 - 5.2-21.5 H ARG 23 - QB ALA 15 far 9 93 10 - 6.4-15.5 H ARG 23 - QB ALA 108 far 9 86 10 - 3.9-34.2 H ALA 29 - QB ALA 108 far 5 95 5 - 4.4-23.0 H ARG 23 - QB ALA 110 far 4 85 5 - 5.3-38.5 H ARG 23 - QB ALA 109 far 4 82 5 - 4.1-35.7 H GLU 30 - QB ALA 108 far 4 76 5 - 5.9-22.6 H LEU 123 - QB ALA 110 far 4 75 5 - 6.4-17.1 H ARG 23 - QB ALA 16 far 4 71 5 - 6.4-13.4 H LYS 31 - QB ALA 16 far 3 66 5 - 6.2-20.8 H ARG 23 - QB ALA 12 far 3 51 5 - 6.6-13.2 H LYS 31 - QB ALA 12 far 2 47 5 - 5.8-22.0 H ARG 23 - QB ALA 28 lone 1 90 30 3 2.6-14.1 6211/6222=1 H ARG 23 - QB ALA 29 far 0 95 0 - 7.3-14.2 H ALA 29 - QB ALA 15 far 0 100 0 - 7.6-21.3 H LEU 96 - QB ALA 29 far 0 65 0 - 7.6-17.2 H GLU 30 - QB ALA 12 far 0 43 0 - 7.7-22.3 H LEU 96 - QB ALA 108 far 0 58 0 - 7.8-18.4 H LYS 31 - QB ALA 108 far 0 82 0 - 7.9-24.2 H GLU 30 - QB ALA 16 far 0 61 0 - 8.0-19.7 H LEU 96 - QB ALA 110 far 0 57 0 - 8.3-21.3 H LEU 123 - QB ALA 108 far 0 76 0 - 8.4-15.9 H LEU 96 - QB ALA 28 far 0 61 0 - 8.4-19.5 H ALA 29 - QB ALA 110 far 0 94 0 - 8.5-27.5 H GLU 30 - QB ALA 109 far 0 72 0 - 8.9-23.5 H LEU 123 - QB ALA 109 far 0 72 0 - 9.2-14.8 H ALA 29 - QB ALA 109 far 0 91 0 - 9.3-25.2 H LEU 123 - QB ALA 29 far 0 85 0 - 9.3-17.4 H ALA 29 - QB ALA 12 far 0 58 0 - 9.3-21.0 H LYS 31 - QB ALA 109 far 0 78 0 - 9.4-25.3 H GLU 30 - QB ALA 110 far 0 75 0 - 9.7-26.1 Violated in 0 structures by 0.00 A. Peak 750 from aliabs.peaks (4.23, 1.38, 19.00 ppm; 2.50 A): 3 out of 56 assignments used, quality = 1.00: * HA ALA 29 + QB ALA 29 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 28 + QB ALA 28 OK 84 84 100 100 2.1-2.1 2.1=100 HA ALA 28 + QB ALA 29 OK 35 89 75 52 3.7-4.3 739=16, 3.6/6311=13...(15) HA GLN 27 - QB ALA 28 far 8 78 10 - 3.8-5.0 HA GLU 30 - QB ALA 15 far 5 94 5 - 3.7-23.5 HA SER 99 - QB ALA 110 far 5 93 5 - 3.3-17.8 HA HIS 67 - QB ALA 29 far 4 83 5 - 3.7-10.8 HA ALA 28 - QB ALA 108 far 4 80 5 - 3.1-24.1 HA SER 99 - QB ALA 108 lone 0 94 30 0 3.1-14.1 HA HIS 67 - QB ALA 108 far 0 74 0 - 4.0-12.8 HA GLU 30 - QB ALA 29 far 0 96 0 - 4.1-4.3 HA GLN 27 - QB ALA 29 far 0 83 0 - 4.1-7.7 HA ALA 29 - QB ALA 28 far 0 98 0 - 4.2-5.1 HA GLU 30 - QB ALA 28 far 0 91 0 - 4.3-5.5 HA GLN 27 - QB ALA 108 far 0 74 0 - 4.4-26.4 HA SER 51 - QB ALA 16 far 0 74 0 - 4.6-31.5 HA GLN 27 - QB ALA 110 far 0 73 0 - 4.7-30.1 HA SER 94 - QB ALA 28 far 0 93 0 - 5.1-23.0 HA SER 99 - QB ALA 109 far 0 91 0 - 5.2-15.1 HA SER 51 - QB ALA 15 far 0 96 0 - 5.3-32.9 HB3 SER 38 - QB ALA 16 far 0 72 0 - 5.7-29.8 HA ALA 34 - QB ALA 16 far 0 71 0 - 5.8-25.7 HA GLU 30 - QB ALA 108 far 0 88 0 - 5.9-22.9 HA SER 94 - QB ALA 29 far 0 97 0 - 6.0-18.2 HA GLU 30 - QB ALA 12 far 0 52 0 - 6.2-24.6 HA ALA 34 - QB ALA 29 far 0 95 0 - 6.4-10.8 HA HIS 67 - QB ALA 109 far 0 70 0 - 6.4-15.8 HA GLU 30 - QB ALA 109 far 0 84 0 - 6.6-23.9 HA ALA 28 - QB ALA 110 far 0 79 0 - 6.6-27.6 HA ALA 29 - QB ALA 108 far 0 95 0 - 6.6-21.8 HA GLN 27 - QB ALA 109 far 0 70 0 - 6.9-28.3 HA ALA 28 - QB ALA 15 far 0 87 0 - 7.1-20.7 HA ALA 29 - QB ALA 15 far 0 100 0 - 7.1-21.4 HB3 SER 38 - QB ALA 15 far 0 94 0 - 7.4-30.5 HA GLU 30 - QB ALA 16 far 0 72 0 - 7.5-21.9 HA HIS 67 - QB ALA 28 far 0 78 0 - 7.6-15.0 HB3 SER 38 - QB ALA 12 far 0 52 0 - 7.6-31.0 HA SER 51 - QB ALA 29 far 0 97 0 - 8.0-20.2 HA ALA 28 - QB ALA 12 far 0 46 0 - 8.0-21.0 HA ALA 34 - QB ALA 12 far 0 51 0 - 8.1-27.3 HA SER 51 - QB ALA 12 far 0 54 0 - 8.2-33.6 HA ALA 34 - QB ALA 15 far 0 93 0 - 8.3-27.1 HA ALA 28 - QB ALA 109 far 0 76 0 - 8.4-26.4 HA SER 94 - QB ALA 108 far 0 89 0 - 8.5-19.6 HA GLU 30 - QB ALA 110 far 0 87 0 - 9.0-25.3 HA ALA 29 - QB ALA 109 far 0 91 0 - 9.2-23.8 HA GLN 27 - QB ALA 15 far 0 81 0 - 9.4-19.7 HA SER 51 - QB ALA 28 far 0 94 0 - 9.5-23.6 HA ALA 29 - QB ALA 12 far 0 58 0 - 9.5-21.9 HA SER 124 - QB ALA 110 far 0 81 0 - 9.6-21.0 HA ALA 29 - QB ALA 16 far 0 80 0 - 9.6-19.4 HB3 SER 38 - QB ALA 29 far 0 96 0 - 9.7-15.9 HA HIS 67 - QB ALA 15 far 0 81 0 - 9.8-30.9 HA ALA 28 - QB ALA 16 far 0 65 0 - 9.9-19.1 HA SER 99 - QB ALA 29 far 0 100 0 - 9.9-17.9 HA SER 99 - QB ALA 15 far 0 99 0 - 10.0-38.6 Violated in 0 structures by 0.00 A. Peak 751 from aliabs.peaks (1.38, 1.38, 19.00 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * QB ALA 29 + QB ALA 29 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 99 99 - 100 QB ALA 28 + QB ALA 28 OK 96 96 - 100 QB ALA 108 + QB ALA 108 OK 95 95 - 100 QB ALA 110 + QB ALA 110 OK 93 93 - 100 QB ALA 109 + QB ALA 109 OK 87 87 - 100 QB ALA 16 + QB ALA 16 OK 71 71 - 100 QB ALA 12 + QB ALA 12 OK 43 43 - 100 Peak 754 from aliabs.peaks (4.21, 4.21, 56.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 30 + HA GLU 30 OK 100 100 - 100 Peak 755 from aliabs.peaks (1.94, 4.21, 56.25 ppm; 3.36 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 30 + HA GLU 30 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PRO 58 - HA GLU 30 far 0 97 0 - 5.6-25.0 HB2 GLN 27 - HA GLU 30 far 0 68 0 - 5.7-9.9 HB3 ARG 90 - HA GLU 30 far 0 96 0 - 8.0-27.6 HB3 LEU 49 - HA GLU 30 far 0 73 0 - 8.1-19.9 HB2 ARG 90 - HA GLU 30 far 0 68 0 - 8.4-27.7 HB2 MET 11 - HA GLU 30 far 0 81 0 - 8.9-35.4 HG LEU 53 - HA GLU 30 far 0 100 0 - 9.8-26.4 Violated in 0 structures by 0.00 A. Peak 756 from aliabs.peaks (2.01, 4.21, 56.25 ppm; 3.35 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 PRO 58 - HA GLU 30 far 5 90 5 - 4.6-26.4 HB VAL 20 - HA GLU 30 far 0 97 0 - 5.8-21.7 HB VAL 63 - HA GLU 30 far 0 97 0 - 6.5-18.3 QE MET 11 - HA GLU 30 far 0 89 0 - 7.9-28.7 HB2 GLU 44 - HA GLU 30 far 0 95 0 - 8.2-21.8 HB3 MET 11 - HA GLU 30 far 0 100 0 - 8.5-33.7 Violated in 0 structures by 0.00 A. Peak 757 from aliabs.peaks (2.27, 4.21, 56.25 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 30 + HA GLU 30 OK 100 100 100 100 2.7-3.8 3.8=100 HG2 GLN 61 - HA GLU 30 far 5 97 5 - 5.0-21.7 HG2 GLU 97 - HA GLU 30 far 0 63 0 - 6.8-22.8 HB3 GLN 101 - HA GLU 30 far 0 60 0 - 7.5-21.4 HB VAL 105 - HA GLU 30 far 0 100 0 - 7.9-24.8 Violated in 0 structures by 0.00 A. Peak 758 from aliabs.peaks (2.31, 4.21, 56.25 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 30 + HA GLU 30 OK 100 100 100 100 2.3-3.8 3.8=100 HG3 GLN 68 - HA GLU 30 poor 19 97 20 - 2.0-14.8 HG2 GLN 61 - HA GLU 30 far 3 68 5 - 5.0-21.7 HB3 GLN 101 - HA GLU 30 far 0 99 0 - 7.5-21.4 HG2 GLU 44 - HA GLU 30 far 0 99 0 - 8.4-23.9 Violated in 0 structures by 0.00 A. Peak 759 from aliabs.peaks (8.23, 4.21, 56.25 ppm; 4.94 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 31 + HA GLU 30 OK 100 100 100 100 3.3-3.6 3.6=100 H ALA 29 + HA GLU 30 OK 90 90 100 99 4.7-5.5 2.9/10740=38...(28) H ARG 23 - HA GLU 30 far 0 60 0 - 8.7-17.8 Violated in 0 structures by 0.00 A. Peak 761 from aliabs.peaks (4.21, 1.94, 29.75 ppm; 3.26 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 28 - HB2 GLU 30 far 6 60 10 - 4.4-6.3 HB THR 25 - HB2 GLU 30 far 3 68 5 - 4.6-13.3 HA ALA 29 - HB2 GLU 30 far 0 96 0 - 5.1-5.6 HA ALA 88 - HB3 ARG 90 far 0 65 0 - 5.6-7.2 HA SER 94 - HB3 ARG 90 far 0 46 0 - 5.8-8.6 HA ALA 28 - HB3 ARG 90 far 0 35 0 - 7.5-29.2 HA GLU 30 - HB3 ARG 90 far 0 70 0 - 8.0-27.6 HA SER 94 - HB2 GLU 30 far 0 76 0 - 8.4-26.6 HA HIS 67 - HB2 GLU 30 far 0 99 0 - 8.8-16.1 Violated in 0 structures by 0.00 A. Peak 762 from aliabs.peaks (1.94, 1.94, 29.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 30 + HB2 GLU 30 OK 100 100 - 100 HB3 ARG 90 + HB3 ARG 90 OK 63 63 - 100 Peak 763 from aliabs.peaks (2.01, 1.94, 29.75 ppm; 2.50 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLU 30 + HB2 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 90 + HB3 ARG 90 OK 58 63 100 92 2.2-3.0 2.9=62, 2787/3.0=21...(19) HB VAL 20 - HB2 GLU 30 far 0 97 0 - 4.1-21.5 HB2 GLU 91 - HB3 ARG 90 far 0 58 0 - 4.2-6.3 HB3 GLU 91 - HB3 ARG 90 far 0 48 0 - 4.7-6.8 HG2 PRO 58 - HB2 GLU 30 far 0 90 0 - 6.1-29.0 HB3 GLU 30 - HB3 ARG 90 far 0 70 0 - 6.8-29.9 HB3 MET 11 - HB2 GLU 30 far 0 100 0 - 7.1-33.4 QE MET 11 - HB2 GLU 30 far 0 89 0 - 7.1-28.1 HB VAL 63 - HB2 GLU 30 far 0 97 0 - 7.9-20.8 HB2 GLU 44 - HB2 GLU 30 far 0 95 0 - 8.9-22.8 HB ILE 129 - HB3 ARG 90 far 0 67 0 - 9.4-10.8 HG2 ARG 90 - HB2 GLU 30 far 0 96 0 - 9.9-31.6 HG2 PRO 81 - HB3 ARG 90 far 0 70 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 764 from aliabs.peaks (2.27, 1.94, 29.75 ppm; 3.49 A): 1 out of 9 assignments used, quality = 1.00: * HG2 GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 61 - HB2 GLU 30 far 5 97 5 - 4.6-24.5 HG2 GLU 30 - HB3 ARG 90 far 0 70 0 - 6.2-30.7 HB VAL 105 - HB2 GLU 30 far 0 100 0 - 7.3-26.1 HB VAL 132 - HB3 ARG 90 far 0 66 0 - 7.8-11.9 HB3 GLN 101 - HB2 GLU 30 far 0 60 0 - 8.3-23.2 HG2 GLU 97 - HB2 GLU 30 far 0 63 0 - 8.4-24.8 HB3 LEU 96 - HB3 ARG 90 far 0 37 0 - 8.9-12.2 HG2 GLU 97 - HB3 ARG 90 far 0 37 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 765 from aliabs.peaks (2.31, 1.94, 29.75 ppm; 3.59 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 30 + HB2 GLU 30 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 GLN 68 - HB2 GLU 30 far 5 97 5 - 3.9-17.7 HG2 GLN 61 - HB2 GLU 30 far 3 68 5 - 4.6-24.5 HG3 GLU 30 - HB3 ARG 90 far 0 70 0 - 6.6-29.1 HB VAL 132 - HB3 ARG 90 far 0 39 0 - 7.8-11.9 HB3 GLN 101 - HB2 GLU 30 far 0 99 0 - 8.3-23.2 HG2 GLU 44 - HB2 GLU 30 far 0 99 0 - 8.7-25.4 Violated in 0 structures by 0.00 A. Peak 768 from aliabs.peaks (4.21, 2.01, 29.75 ppm; 3.14 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.3-2.5 3.0=100 HA SER 51 - HB2 GLU 55 far 2 31 5 - 4.5-8.6 HA ALA 28 - HB3 GLU 30 far 0 60 0 - 5.8-7.5 HB THR 25 - HB3 GLU 30 far 0 68 0 - 6.0-14.2 HA ALA 29 - HB3 GLU 30 far 0 96 0 - 6.1-6.4 HA SER 94 - HB3 GLU 30 far 0 76 0 - 8.1-26.2 HA HIS 67 - HB3 GLU 30 far 0 99 0 - 9.1-16.6 HA ALA 34 - HB3 GLU 30 far 0 100 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 769 from aliabs.peaks (1.94, 2.01, 29.75 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 30 + HB3 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 27 - HB3 GLU 30 far 0 68 0 - 4.7-10.3 HG LEU 53 - HB2 GLU 55 far 0 31 0 - 6.2-9.8 HB2 PRO 58 - HB3 GLU 30 far 0 97 0 - 6.4-27.0 HB3 ARG 90 - HB3 GLU 30 far 0 96 0 - 6.8-29.9 HG2 PRO 113 - HB2 GLU 55 far 0 30 0 - 7.0-19.1 HB2 ARG 90 - HB3 GLU 30 far 0 68 0 - 7.1-30.0 HB2 MET 11 - HB3 GLU 30 far 0 81 0 - 7.9-35.7 HB3 LEU 49 - HB3 GLU 30 far 0 73 0 - 9.4-21.5 Violated in 0 structures by 0.00 A. Peak 770 from aliabs.peaks (2.01, 2.01, 29.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 30 + HB3 GLU 30 OK 100 100 - 100 HB2 GLU 55 + HB2 GLU 55 OK 22 22 - 100 Peak 771 from aliabs.peaks (2.27, 2.01, 29.75 ppm; 3.39 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.4-2.9 3.0=100 HG2 GLN 61 - HB3 GLU 30 far 0 97 0 - 5.4-23.7 HB3 PRO 113 - HB2 GLU 55 far 0 31 0 - 6.5-17.6 HB VAL 105 - HB3 GLU 30 far 0 100 0 - 7.1-26.5 HG2 GLU 97 - HB3 GLU 30 far 0 63 0 - 7.5-25.0 HG2 GLN 61 - HB2 GLU 55 far 0 29 0 - 7.6-11.3 HB3 GLN 101 - HB3 GLU 30 far 0 60 0 - 7.9-23.8 Violated in 0 structures by 0.00 A. Peak 772 from aliabs.peaks (2.31, 2.01, 29.75 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 30 + HB3 GLU 30 OK 100 100 100 100 2.8-3.0 3.0=100 HG3 GLN 68 - HB3 GLU 30 far 5 97 5 - 4.2-17.0 HG2 GLN 61 - HB3 GLU 30 far 0 68 0 - 5.4-23.7 HB3 GLN 101 - HB3 GLU 30 far 0 99 0 - 7.9-23.8 HG2 GLU 44 - HB3 GLU 30 far 0 99 0 - 9.8-25.8 Violated in 0 structures by 0.00 A. Peak 774 from aliabs.peaks (8.27, 2.27, 35.39 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: * H GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.3-3.6 5.1=100 H ALA 29 + HG2 GLU 30 OK 85 85 100 100 3.7-6.7 4.6/6320=95...(26) H GLU 40 + HG2 GLU 40 OK 47 47 100 100 2.1-4.4 4.8=100 H LEU 43 + HG2 GLU 40 OK 41 47 100 86 4.7-7.2 1237/3.9=45...(8) H ARG 23 - HG2 GLU 30 poor 20 99 20 - 5.7-17.9 H ARG 23 - HG2 GLU 40 far 3 63 5 - 5.2-31.1 H LEU 96 - HG2 GLU 30 far 0 99 0 - 8.9-24.2 Violated in 0 structures by 0.00 A. Peak 775 from aliabs.peaks (4.21, 2.27, 35.39 ppm; 3.66 A): 3 out of 11 assignments used, quality = 1.00: * HA GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.7-3.8 3.8=90, 3.0/6320=56...(18) HB3 SER 38 + HG2 GLU 40 OK 28 65 65 66 3.8-8.7 9046/3.0=31...(5) HA ALA 28 + HG2 GLU 30 OK 25 60 45 91 3.3-7.7 ~10792=32, 2.1/10743=30...(21) HA ALA 29 - HG2 GLU 30 far 5 96 5 - 4.8-6.3 HB THR 25 - HG2 GLU 30 far 0 68 0 - 5.5-12.8 HA SER 94 - HG2 GLU 30 far 0 76 0 - 5.6-27.4 HB THR 25 - HG2 GLU 40 far 0 37 0 - 6.8-29.9 HA ALA 34 - HG2 GLU 40 far 0 65 0 - 9.0-13.6 HA ALA 29 - HG2 GLU 40 far 0 58 0 - 9.1-20.7 HA HIS 67 - HG2 GLU 30 far 0 99 0 - 9.4-17.4 HA ALA 28 - HG2 GLU 40 far 0 32 0 - 9.9-24.7 Violated in 2 structures by 0.01 A. Peak 776 from aliabs.peaks (1.94, 2.27, 35.39 ppm; 3.47 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 27 - HG2 GLU 30 far 10 68 15 - 2.9-9.7 HB2 MET 11 - HG2 GLU 30 far 0 81 0 - 5.4-33.6 HB2 GLN 27 - HG2 GLU 40 far 0 37 0 - 6.1-25.6 HB3 ARG 90 - HG2 GLU 30 far 0 96 0 - 6.2-30.7 HB2 ARG 90 - HG2 GLU 30 far 0 68 0 - 7.1-30.8 HB2 PRO 58 - HG2 GLU 30 far 0 97 0 - 7.6-25.2 HB3 LEU 49 - HG2 GLU 30 far 0 73 0 - 7.7-21.0 HB3 PRO 81 - HG2 GLU 40 far 0 57 0 - 8.1-17.1 HG LEU 53 - HG2 GLU 30 far 0 100 0 - 8.8-27.2 Violated in 0 structures by 0.00 A. Peak 777 from aliabs.peaks (2.01, 2.27, 35.39 ppm; 3.22 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLU 30 + HG2 GLU 30 OK 100 100 100 100 2.4-2.9 3.0=100 HB3 GLU 40 + HG2 GLU 40 OK 59 59 100 100 2.2-3.0 3.0=100 HB VAL 20 - HG2 GLU 30 far 5 97 5 - 3.9-19.4 HB2 GLU 44 - HG2 GLU 40 far 3 57 5 - 4.3-8.6 HB3 MET 11 - HG2 GLU 30 far 0 100 0 - 5.2-32.0 QE MET 11 - HG2 GLU 30 far 0 89 0 - 5.3-27.0 HG2 PRO 58 - HG2 GLU 30 far 0 90 0 - 5.5-26.7 HB2 GLN 134 - HG2 GLU 40 far 0 60 0 - 6.5-14.5 HB2 PRO 81 - HG2 GLU 40 far 0 21 0 - 6.9-15.5 HB VAL 20 - HG2 GLU 40 far 0 60 0 - 7.4-32.5 HG2 ARG 90 - HG2 GLU 30 far 0 96 0 - 8.3-32.3 HG2 PRO 81 - HG2 GLU 40 far 0 64 0 - 8.6-16.4 HB2 GLU 44 - HG2 GLU 30 far 0 95 0 - 9.0-24.3 HB VAL 63 - HG2 GLU 30 far 0 97 0 - 9.3-18.7 Violated in 0 structures by 0.00 A. Peak 778 from aliabs.peaks (2.27, 2.27, 35.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 30 + HG2 GLU 30 OK 100 100 - 100 HG2 GLU 40 + HG2 GLU 40 OK 50 50 - 100 Peak 779 from aliabs.peaks (2.31, 2.27, 35.39 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 30 + HG2 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 - HG2 GLU 40 far 0 62 0 - 4.7-10.5 HB3 GLN 134 - HG2 GLU 40 far 0 45 0 - 5.7-13.2 HG3 GLN 68 - HG2 GLU 30 far 0 97 0 - 5.8-16.3 HG2 GLN 61 - HG2 GLU 30 far 0 68 0 - 6.7-22.2 HG2 GLU 44 - HG2 GLU 30 far 0 99 0 - 9.0-24.6 HB3 GLN 101 - HG2 GLU 30 far 0 99 0 - 9.1-24.0 Violated in 0 structures by 0.00 A. Peak 781 from aliabs.peaks (8.27, 2.31, 35.39 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * H GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.0-3.3 5.1=100 H ALA 29 + HG3 GLU 30 OK 85 85 100 100 3.5-5.3 4.6/6321=96...(27) H GLU 40 + HG2 GLU 40 OK 47 47 100 100 2.1-4.4 4.8=100 H LEU 43 + HG2 GLU 40 OK 42 47 100 90 4.7-7.2 1237/3.9=45...(10) H ARG 23 - HG3 GLU 30 far 15 99 15 - 5.8-16.5 H ARG 23 - HG2 GLU 40 far 3 63 5 - 5.2-31.1 Violated in 0 structures by 0.00 A. Peak 782 from aliabs.peaks (4.21, 2.31, 35.39 ppm; 3.56 A): 4 out of 11 assignments used, quality = 1.00: * HA GLU 30 + HG3 GLU 30 OK 99 100 100 99 2.3-3.8 3.8=84, 3.0/6321=57...(17) HA ALA 29 + HG3 GLU 30 OK 68 96 75 94 4.4-5.4 3.6/6321=48...(27) HA ALA 28 + HG3 GLU 30 OK 32 60 60 90 3.2-6.1 2.1/10792=48, ~10743=20...(20) HB3 SER 38 + HG2 GLU 40 OK 27 65 65 63 3.8-8.7 9046/3.0=29...(5) HB THR 25 - HG3 GLU 30 far 0 68 0 - 5.3-12.4 HA SER 94 - HG3 GLU 30 far 0 76 0 - 6.4-25.7 HB THR 25 - HG2 GLU 40 far 0 37 0 - 6.8-29.9 HA HIS 67 - HG3 GLU 30 far 0 99 0 - 7.6-16.8 HA ALA 34 - HG2 GLU 40 far 0 65 0 - 9.0-13.6 HA ALA 29 - HG2 GLU 40 far 0 58 0 - 9.1-20.7 HA ALA 28 - HG2 GLU 40 far 0 32 0 - 9.9-24.7 Violated in 1 structures by 0.00 A. Peak 783 from aliabs.peaks (1.94, 2.31, 35.39 ppm; 3.47 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLN 27 - HG3 GLU 30 poor 17 68 25 - 2.0-8.1 HB2 GLN 27 - HG2 GLU 40 far 0 37 0 - 6.1-25.6 HB2 PRO 58 - HG3 GLU 30 far 0 97 0 - 6.5-26.6 HB3 LEU 49 - HG3 GLU 30 far 0 73 0 - 6.6-20.6 HB3 ARG 90 - HG3 GLU 30 far 0 96 0 - 6.6-29.1 HB2 MET 11 - HG3 GLU 30 far 0 81 0 - 6.7-32.8 HB2 ARG 90 - HG3 GLU 30 far 0 68 0 - 7.7-29.2 HG LEU 53 - HG3 GLU 30 far 0 100 0 - 8.0-26.5 HB3 PRO 81 - HG2 GLU 40 far 0 57 0 - 8.1-17.1 Violated in 0 structures by 0.00 A. Peak 784 from aliabs.peaks (2.01, 2.31, 35.39 ppm; 3.32 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLU 30 + HG3 GLU 30 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 GLU 40 + HG2 GLU 40 OK 59 59 100 100 2.2-3.0 3.0=100 HG2 PRO 58 - HG3 GLU 30 far 5 90 5 - 4.4-28.2 HB2 GLU 44 - HG2 GLU 40 far 3 57 5 - 4.3-8.6 HB VAL 20 - HG3 GLU 30 far 0 97 0 - 5.1-19.0 QE MET 11 - HG3 GLU 30 far 0 89 0 - 5.9-26.3 HB3 MET 11 - HG3 GLU 30 far 0 100 0 - 6.3-31.1 HB2 GLN 134 - HG2 GLU 40 far 0 60 0 - 6.5-14.5 HB2 PRO 81 - HG2 GLU 40 far 0 21 0 - 6.9-15.5 HB VAL 20 - HG2 GLU 40 far 0 60 0 - 7.4-32.5 HB2 GLU 44 - HG3 GLU 30 far 0 95 0 - 7.9-23.5 HG2 PRO 81 - HG2 GLU 40 far 0 64 0 - 8.6-16.4 HG2 ARG 90 - HG3 GLU 30 far 0 96 0 - 8.6-30.7 HB VAL 63 - HG3 GLU 30 far 0 97 0 - 9.3-20.0 Violated in 0 structures by 0.00 A. Peak 785 from aliabs.peaks (2.27, 2.31, 35.39 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 30 + HG3 GLU 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 61 - HG3 GLU 30 far 0 97 0 - 5.0-23.8 HB VAL 105 - HG3 GLU 30 far 0 100 0 - 6.6-28.0 HB2 PRO 81 - HG2 GLU 40 far 0 20 0 - 6.9-15.5 HG2 GLU 97 - HG3 GLU 30 far 0 63 0 - 7.8-24.0 HB3 GLN 101 - HG3 GLU 30 far 0 60 0 - 9.4-23.1 Violated in 0 structures by 0.00 A. Peak 786 from aliabs.peaks (2.31, 2.31, 35.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 30 + HG3 GLU 30 OK 100 100 - 100 HG2 GLU 40 + HG2 GLU 40 OK 50 50 - 100 Peak 789 from aliabs.peaks (4.27, 4.27, 56.29 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HA LYS 31 + HA LYS 31 OK 100 100 - 100 HA LYS 19 + HA LYS 19 OK 100 100 - 100 HA LYS 26 + HA LYS 26 OK 100 100 - 100 HA ARG 23 + HA ARG 23 OK 53 53 - 100 HA LYS 36 + HA LYS 36 OK 48 48 - 100 Peak 790 from aliabs.peaks (1.74, 4.27, 56.29 ppm; 3.79 A): 6 out of 28 assignments used, quality = 1.00: * HB2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 19 + HA LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 26 + HA LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 23 + HA ARG 23 OK 52 52 100 100 2.2-3.0 3.0=100 HB2 LYS 31 + HA LYS 26 OK 34 100 40 85 2.0-13.6 4.6/798=7, 800=6...(85) HB2 LYS 26 + HA LYS 31 OK 22 100 25 88 4.1-14.6 809/6342=13, 799/3.0=8...(105) HB2 LYS 24 - HA ARG 23 poor 17 56 30 - 4.9-6.5 HB2 LYS 26 - HA ARG 23 poor 14 55 25 - 2.1-11.0 HB2 LYS 24 - HA LYS 19 poor 13 100 30 43 2.2-13.5 2.9/822=4, 2.9/241=3...(22) HB2 ARG 23 - HA LYS 26 far 10 98 10 - 4.3-10.5 HB2 LYS 19 - HA ARG 23 far 8 56 15 - 4.8-14.4 HB2 LYS 31 - HA ARG 23 far 6 56 10 - 4.7-18.9 HB2 LYS 19 - HA LYS 31 far 5 100 5 - 2.8-25.6 HB2 LYS 19 - HA LYS 26 far 5 100 5 - 3.8-20.4 HB2 LYS 26 - HA LYS 19 far 5 100 5 - 5.3-21.5 HB2 LYS 24 - HA LYS 36 far 3 56 5 - 4.8-29.5 HB2 ARG 23 - HA LYS 36 far 3 53 5 - 3.7-27.0 HB2 LYS 24 - HA LYS 26 far 0 100 0 - 5.4-8.8 HB2 LYS 31 - HA LYS 19 far 0 100 0 - 5.5-26.5 HB2 ARG 23 - HA LYS 19 far 0 98 0 - 6.0-11.8 HB2 LYS 24 - HA LYS 31 far 0 100 0 - 6.3-18.8 HB2 LYS 26 - HA LYS 36 far 0 56 0 - 6.4-25.4 HB2 ARG 23 - HA LYS 31 far 0 98 0 - 6.6-20.9 HB2 LYS 31 - HA LYS 36 far 0 56 0 - 8.0-15.2 HB2 LYS 39 - HA LYS 36 far 0 41 0 - 8.0-12.5 HB2 LYS 19 - HA LYS 36 far 0 56 0 - 8.1-34.9 HB2 LYS 39 - HA LYS 19 far 0 84 0 - 8.4-39.1 HG LEU 100 - HA LYS 26 far 0 57 0 - 9.3-21.3 Violated in 0 structures by 0.00 A. Peak 791 from aliabs.peaks (1.81, 4.27, 56.29 ppm; 3.62 A): 7 out of 39 assignments used, quality = 1.00: * HB3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HA LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 99 99 100 100 2.3-2.7 3.0=100 HB2 LYS 36 + HA LYS 36 OK 55 55 100 100 2.2-3.0 3.0=100 HB3 ARG 23 + HA ARG 23 OK 54 54 100 100 2.3-3.0 3.0=100 HB3 LYS 31 + HA LYS 26 OK 30 100 40 75 2.7-15.0 4.6/798=7, 1.8/790=6...(48) HB3 LYS 26 + HA LYS 31 OK 21 100 25 85 4.4-15.8 820/6342=7, 6332/3.0=6...(108) HB3 LYS 26 - HA ARG 23 poor 17 55 30 - 2.0-11.3 HB3 ARG 23 - HA LYS 26 far 15 99 15 - 4.4-10.8 HB3 LYS 24 - HA ARG 23 poor 14 55 40 65 4.4-6.2 4.1/6212=42...(11) HB ILE 32 - HA LYS 36 poor 14 56 25 - 3.6-10.5 HB3 LYS 24 - HA LYS 19 poor 13 100 35 38 2.0-13.2 2.9/822=4, 2.9/241=3...(17) HB ILE 32 - HA LYS 31 far 10 100 10 - 5.1-6.1 HB3 LYS 19 - HA ARG 23 far 8 55 15 - 4.3-14.0 HB3 LYS 31 - HA LYS 19 far 5 100 5 - 3.9-25.7 HB ILE 32 - HA LYS 26 far 5 100 5 - 4.8-15.1 HB3 LYS 19 - HA LYS 31 far 5 100 5 - 4.5-26.9 HB3 LYS 19 - HA LYS 26 far 5 99 5 - 5.0-20.0 HB3 LYS 24 - HA LYS 36 far 3 56 5 - 4.3-28.6 HB3 LYS 31 - HA ARG 23 far 3 56 5 - 4.2-18.6 HB3 ARG 23 - HA LYS 36 far 3 55 5 - 4.0-26.9 HB2 LYS 36 - HA LYS 31 far 0 100 0 - 5.5-14.2 HB3 LYS 26 - HA LYS 19 far 0 100 0 - 5.6-21.5 HB3 ARG 23 - HA LYS 19 far 0 99 0 - 5.9-12.8 HB3 LYS 24 - HA LYS 26 far 0 100 0 - 6.1-8.8 HB2 LYS 36 - HA ARG 23 far 0 55 0 - 6.5-28.2 HB3 LYS 31 - HA LYS 36 far 0 56 0 - 6.7-16.3 HB3 LYS 26 - HA LYS 36 far 0 56 0 - 6.9-25.7 HB3 ARG 23 - HA LYS 31 far 0 99 0 - 7.1-20.6 HB2 LYS 36 - HA LYS 26 far 0 99 0 - 7.2-24.7 HB3 LEU 98 - HA ARG 23 far 0 27 0 - 7.3-34.7 HB3 LYS 24 - HA LYS 31 far 0 100 0 - 7.6-18.1 HB ILE 32 - HA ARG 23 far 0 56 0 - 7.7-18.8 HB2 LYS 36 - HA LYS 19 far 0 99 0 - 7.9-35.2 HB2 CYS 79 - HA LYS 36 far 0 43 0 - 8.5-17.2 HB2 CYS 79 - HA LYS 19 far 0 86 0 - 8.5-37.3 HB3 LYS 19 - HA LYS 36 far 0 55 0 - 8.6-35.4 HB3 LEU 103 - HA LYS 26 far 0 84 0 - 8.8-25.1 HB3 LEU 98 - HA LYS 26 far 0 60 0 - 9.6-29.2 Violated in 0 structures by 0.00 A. Peak 792 from aliabs.peaks (1.46, 4.27, 56.29 ppm; 4.38 A): 7 out of 33 assignments used, quality = 1.00: * HG2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.1-4.2 3.8=100 HG3 LYS 19 + HA LYS 19 OK 84 84 100 100 2.6-4.0 4.2=100 HG2 LYS 26 + HA LYS 26 OK 68 68 100 100 2.3-4.1 4.0=100 HG3 LYS 36 + HA LYS 36 OK 56 56 100 100 3.0-4.2 4.1=100 HG13 ILE 32 + HA LYS 31 OK 41 63 70 94 4.2-6.8 5.2/6342=49...(20) HG2 LYS 31 + HA LYS 26 OK 31 100 35 88 3.2-15.5 822=8, 3.0/790=7...(73) HG3 LYS 24 + HA LYS 19 OK 28 98 40 71 1.9-15.2 822=7, 1.8/271=5...(24) HG13 ILE 32 - HA LYS 26 poor 15 62 40 62 3.0-13.3 2.1/10753=15...(18) HG3 LYS 24 - HA ARG 23 poor 13 52 25 - 4.1-7.1 HG2 LYS 26 - HA LYS 31 far 10 68 15 - 4.3-17.0 HG2 LYS 26 - HA ARG 23 poor 9 31 30 - 1.9-10.9 HG2 LYS 31 - HA ARG 23 far 6 56 10 - 3.9-16.8 HG3 LYS 36 - HA LYS 31 far 5 100 5 - 5.5-12.3 HG2 LYS 31 - HA LYS 19 far 5 100 5 - 5.8-24.5 HG3 LYS 36 - HA LYS 26 far 5 100 5 - 5.8-22.9 HG3 LYS 24 - HA LYS 26 far 5 98 5 - 5.5-9.6 HG3 LYS 19 - HA LYS 31 far 4 85 5 - 4.9-27.9 HG3 LYS 19 - HA LYS 26 far 4 84 5 - 5.3-21.7 HG2 LYS 26 - HA LYS 36 far 3 31 10 - 4.1-27.7 HG13 ILE 32 - HA LYS 36 far 3 28 10 - 5.2-12.3 HG2 LYS 31 - HA LYS 36 far 3 56 5 - 5.4-17.1 HG3 LYS 24 - HA LYS 31 far 0 98 0 - 6.1-18.0 HG13 ILE 32 - HA ARG 23 far 0 28 0 - 6.1-16.7 HG3 LYS 36 - HA ARG 23 far 0 55 0 - 6.5-26.4 HG3 LYS 19 - HA ARG 23 far 0 41 0 - 6.5-15.5 HG3 LYS 36 - HA LYS 19 far 0 100 0 - 6.6-33.2 HG3 LYS 24 - HA LYS 36 far 0 53 0 - 6.7-27.7 QB ALA 52 - HA ARG 23 far 0 35 0 - 6.8-22.4 QB ALA 52 - HA LYS 26 far 0 75 0 - 7.0-22.6 HG2 LYS 26 - HA LYS 19 far 0 68 0 - 7.6-22.5 QB ALA 52 - HA LYS 19 far 0 75 0 - 7.8-28.1 HG3 LYS 19 - HA LYS 36 far 0 41 0 - 8.1-37.0 HG13 ILE 32 - HA LYS 19 far 0 62 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 793 from aliabs.peaks (1.39, 4.27, 56.29 ppm; 3.63 A): 6 out of 66 assignments used, quality = 1.00: HG3 LYS 26 + HA LYS 26 OK 99 100 100 99 2.6-3.9 4.0=72, 6253/2.9=50...(32) * HG3 LYS 31 + HA LYS 31 OK 98 100 100 98 2.0-4.2 3.8=86, 6334/3.0=25...(22) HG2 LYS 19 + HA LYS 19 OK 90 91 100 98 2.3-3.7 4.2=66, 6151/3.0=42...(42) HG2 LYS 36 + HA LYS 36 OK 55 55 100 99 2.3-3.8 4.1=68, 6394/3.0=55...(31) QB ALA 28 + HA LYS 26 OK 25 100 40 63 3.8-7.4 6265/3.6=23, ~10769=20...(10) HG2 LYS 24 + HA LYS 19 OK 22 98 35 65 2.2-15.3 1.8/822=5, 833=4, ~281=2...(47) HG3 LYS 26 - HA LYS 31 poor 20 100 20 - 4.5-16.0 HG3 LYS 26 - HA ARG 23 poor 19 55 35 - 2.4-10.6 HG3 LYS 31 - HA LYS 26 poor 19 100 25 76 2.3-14.5 1.8/822=5, 3.0/790=5...(43) HG2 LYS 24 - HA ARG 23 poor 17 52 45 73 4.1-6.9 6222/6212=54...(11) QB ALA 15 - HA LYS 31 far 15 100 15 - 1.9-22.8 QB ALA 28 - HA ARG 23 poor 11 56 20 - 1.8-12.2 QB ALA 12 - HA LYS 19 far 10 68 15 - 3.4-15.1 HG3 LYS 31 - HA ARG 23 far 6 56 10 - 5.1-16.2 HG3 LYS 26 - HA LYS 36 far 6 55 10 - 4.9-27.4 QB ALA 110 - HA LYS 26 far 5 100 5 - 3.4-31.5 QB ALA 109 - HA LYS 26 far 5 100 5 - 4.0-28.9 QB ALA 15 - HA LYS 19 far 5 100 5 - 3.6-11.2 QB ALA 16 - HA LYS 31 far 5 99 5 - 4.5-22.4 QB ALA 29 - HA LYS 26 far 5 99 5 - 5.0-9.8 HG2 LYS 24 - HA LYS 26 far 5 98 5 - 4.2-10.1 HG2 LYS 19 - HA LYS 31 far 5 92 5 - 4.9-26.6 QB ALA 12 - HA LYS 31 far 3 68 5 - 4.3-22.8 QB ALA 109 - HA ARG 23 far 3 55 5 - 2.2-33.4 QB ALA 108 - HA LYS 26 far 0 99 0 - 5.2-27.3 QB ALA 110 - HA ARG 23 far 0 55 0 - 5.2-36.2 QB ALA 28 - HA LYS 19 far 0 100 0 - 5.3-19.3 QB ALA 28 - HA LYS 31 far 0 100 0 - 5.5-7.8 HG3 LYS 31 - HA LYS 19 far 0 100 0 - 5.5-23.5 QB ALA 108 - HA ARG 23 far 0 54 0 - 5.5-32.0 HB2 LEU 42 - HA LYS 36 far 0 50 0 - 5.6-11.0 QB ALA 29 - HA LYS 36 far 0 54 0 - 5.6-13.8 QB ALA 15 - HA LYS 26 far 0 100 0 - 5.6-18.8 QB ALA 16 - HA LYS 19 far 0 99 0 - 5.7-9.7 QB ALA 29 - HA ARG 23 far 0 53 0 - 5.9-12.4 HG3 LYS 31 - HA LYS 36 far 0 56 0 - 5.9-16.7 QB ALA 34 - HA LYS 36 far 0 27 0 - 6.0-6.7 QB ALA 29 - HA LYS 31 far 0 99 0 - 6.1-7.3 QB ALA 15 - HA ARG 23 far 0 55 0 - 6.2-16.4 HG2 LYS 19 - HA LYS 26 far 0 91 0 - 6.3-22.3 QB ALA 16 - HA LYS 36 far 0 55 0 - 6.4-29.0 HG2 LYS 19 - HA ARG 23 far 0 46 0 - 6.4-16.2 HG2 LYS 36 - HA LYS 19 far 0 99 0 - 6.5-33.1 HG2 LYS 24 - HA LYS 31 far 0 98 0 - 6.7-19.6 QB ALA 110 - HA LYS 19 far 0 100 0 - 6.8-43.3 QB ALA 16 - HA LYS 26 far 0 99 0 - 6.9-18.9 QB ALA 34 - HA LYS 26 far 0 60 0 - 6.9-19.1 HG2 LYS 24 - HA LYS 36 far 0 53 0 - 7.0-29.4 QB ALA 12 - HA LYS 26 far 0 68 0 - 7.0-18.9 HG2 LYS 36 - HA LYS 31 far 0 100 0 - 7.1-11.7 HG2 LYS 36 - HA LYS 26 far 0 99 0 - 7.4-22.3 HG2 LYS 19 - HA LYS 36 far 0 47 0 - 7.5-37.3 QB ALA 108 - HA LYS 31 far 0 99 0 - 7.7-25.8 QB ALA 109 - HA LYS 19 far 0 100 0 - 7.8-40.6 QB ALA 16 - HA ARG 23 far 0 54 0 - 7.8-14.6 QB ALA 34 - HA LYS 31 far 0 60 0 - 7.9-10.1 QB ALA 29 - HA LYS 19 far 0 99 0 - 8.0-19.1 HG3 LYS 26 - HA LYS 19 far 0 100 0 - 8.0-21.2 QB ALA 12 - HA ARG 23 far 0 31 0 - 8.0-14.5 HG2 LYS 36 - HA ARG 23 far 0 55 0 - 8.2-26.0 QB ALA 28 - HA LYS 36 far 0 56 0 - 8.4-17.1 QB ALA 108 - HA LYS 19 far 0 99 0 - 8.5-39.5 QB ALA 15 - HA LYS 36 far 0 55 0 - 8.6-28.8 QB ALA 34 - HA ARG 23 far 0 27 0 - 8.6-23.1 QB ALA 12 - HA LYS 36 far 0 31 0 - 9.0-27.7 QB ALA 109 - HA LYS 31 far 0 100 0 - 9.1-27.0 Violated in 0 structures by 0.00 A. Peak 794 from aliabs.peaks (1.65, 4.27, 56.29 ppm; 4.54 A): 14 out of 55 assignments used, quality = 1.00: * HD2 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-5.4 5.2=66, ~6332=31...(38) HD3 LYS 31 + HA LYS 31 OK 99 100 100 100 2.0-4.9 5.2=66, ~6332=31...(38) HD2 LYS 26 + HA LYS 26 OK 99 100 100 100 2.1-5.4 5.0=76, ~6252=40...(33) HD2 LYS 19 + HA LYS 19 OK 99 99 100 99 2.0-4.5 5.2=68, ~6151=32...(43) HD3 LYS 26 + HA LYS 26 OK 98 99 100 100 2.1-5.1 5.0=76, ~6252=40...(33) HD3 LYS 19 + HA LYS 19 OK 98 99 100 99 2.0-4.8 5.2=68, ~6151=32...(43) HD3 LYS 36 + HA LYS 36 OK 54 55 100 100 3.0-5.3 5.3=64, 1042/3.0=41...(33) HD2 LYS 36 + HA LYS 36 OK 54 54 100 100 3.5-5.3 5.3=64, 1042/3.0=41...(33) HD3 LYS 24 + HA LYS 19 OK 35 100 40 88 2.2-14.1 3.0/822=6, 3.0/241=5...(89) HD3 LYS 26 + HA LYS 31 OK 34 99 35 99 4.2-17.5 6336/3.0=7, 3.5/790=4...(189) HD2 LYS 24 + HA LYS 19 OK 32 99 35 92 3.3-14.3 3.0/822=6, 3.0/241=5...(125) HD3 LYS 31 + HA LYS 26 OK 29 100 30 96 4.2-13.7 3.5/790=6, 2.9/822=6...(164) HD2 LYS 31 + HA LYS 26 OK 28 100 30 94 2.5-14.0 3.5/790=6, 2.9/822=6...(131) HD2 LYS 26 + HA LYS 31 OK 25 100 25 99 4.7-17.2 6336/3.0=6, ~6336=5...(195) HD3 LYS 24 - HA ARG 23 poor 19 55 35 - 3.5-8.6 HD2 LYS 24 - HA ARG 23 poor 16 54 30 - 3.9-8.4 HD2 LYS 26 - HA ARG 23 poor 16 55 50 59 3.1-12.9 6237/6240=3, 3938/3.8=3...(18) HD2 LYS 36 - HA LYS 31 far 15 99 15 - 4.5-11.5 HD3 LYS 26 - HA ARG 23 poor 14 53 40 65 3.6-13.1 11449/4.9=12...(18) HD2 LYS 26 - HA LYS 36 far 6 55 10 - 4.9-28.2 HD3 LYS 26 - HA LYS 36 far 5 54 10 - 5.8-27.5 HD2 LYS 19 - HA LYS 31 far 5 100 5 - 2.7-27.6 HD3 LYS 24 - HA LYS 26 far 5 100 5 - 4.6-10.7 HD3 LYS 19 - HA LYS 31 far 5 99 5 - 3.5-28.9 HD3 LYS 36 - HA LYS 31 far 5 99 5 - 5.5-11.8 HD2 LYS 24 - HA LYS 26 far 5 99 5 - 6.0-10.6 HD2 LYS 31 - HA ARG 23 far 3 56 5 - 5.6-16.4 HD2 LYS 24 - HA LYS 36 far 3 55 5 - 6.0-27.3 HB2 LEU 98 - HA ARG 23 far 3 52 5 - 5.9-35.9 HD3 LYS 19 - HA ARG 23 far 0 53 0 - 6.1-16.1 HD3 LYS 31 - HA ARG 23 far 0 55 0 - 6.2-17.8 HD3 LYS 26 - HA LYS 19 far 0 99 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 50 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 99 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 56 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 99 0 - 7.0-22.3 HD2 LYS 19 - HA ARG 23 far 0 55 0 - 7.0-14.4 HD2 LYS 36 - HA LYS 26 far 0 99 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 55 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 99 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 100 0 - 7.4-24.1 HD3 LYS 36 - HA ARG 23 far 0 54 0 - 7.6-24.8 HD2 LYS 36 - HA ARG 23 far 0 53 0 - 7.6-24.0 HD3 LYS 24 - HA LYS 36 far 0 56 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 56 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 99 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 100 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 98 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 34 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 99 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 99 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 100 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 55 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 795 from aliabs.peaks (1.66, 4.27, 56.29 ppm; 4.54 A): 14 out of 55 assignments used, quality = 1.00: * HD3 LYS 31 + HA LYS 31 OK 100 100 100 100 2.0-4.9 5.2=66, ~6332=31...(38) HD2 LYS 26 + HA LYS 26 OK 99 100 100 100 2.1-5.4 5.0=76, ~6252=39...(34) HD2 LYS 31 + HA LYS 31 OK 99 100 100 100 2.0-5.4 5.2=66, ~6332=31...(38) HD3 LYS 26 + HA LYS 26 OK 99 100 100 100 2.1-5.1 5.0=76, ~6252=39...(33) HD2 LYS 19 + HA LYS 19 OK 98 98 100 99 2.0-4.5 5.2=68, ~6151=32...(43) HD3 LYS 19 + HA LYS 19 OK 96 97 100 99 2.0-4.8 5.2=68, ~6151=32...(43) HD3 LYS 36 + HA LYS 36 OK 56 56 100 100 3.0-5.3 5.3=64, 1042/3.0=41...(33) HD2 LYS 36 + HA LYS 36 OK 55 55 100 100 3.5-5.3 5.3=64, 1031/3.0=41...(33) HD3 LYS 24 + HA LYS 19 OK 35 99 40 88 2.2-14.1 3.0/822=6, 3.0/241=5...(89) HD3 LYS 26 + HA LYS 31 OK 34 100 35 99 4.2-17.5 6336/3.0=7, 3.5/790=4...(189) HD2 LYS 24 + HA LYS 19 OK 32 100 35 92 3.3-14.3 3.0/822=6, 3.0/241=5...(125) HD3 LYS 31 + HA LYS 26 OK 29 100 30 96 4.2-13.7 3.5/790=6, 2.9/822=6...(163) HD2 LYS 31 + HA LYS 26 OK 28 100 30 94 2.5-14.0 3.5/790=6, 2.9/822=6...(130) HD2 LYS 26 + HA LYS 31 OK 25 100 25 99 4.7-17.2 6336/3.0=6, ~6336=5...(195) HD3 LYS 24 - HA ARG 23 poor 19 55 35 - 3.5-8.6 HD2 LYS 24 - HA ARG 23 poor 17 55 30 - 3.9-8.4 HD2 LYS 26 - HA ARG 23 poor 16 56 50 58 3.1-12.9 6237/6240=3, 3938/3.8=3...(18) HD2 LYS 36 - HA LYS 31 far 15 100 15 - 4.5-11.5 HD3 LYS 26 - HA ARG 23 poor 14 55 40 65 3.6-13.1 11449/4.9=12...(18) HD2 LYS 26 - HA LYS 36 far 6 56 10 - 4.9-28.2 HD3 LYS 26 - HA LYS 36 far 6 55 10 - 5.8-27.5 HD3 LYS 36 - HA LYS 31 far 5 100 5 - 5.5-11.8 HD2 LYS 24 - HA LYS 26 far 5 100 5 - 6.0-10.6 HD3 LYS 24 - HA LYS 26 far 5 99 5 - 4.6-10.7 HD2 LYS 19 - HA LYS 31 far 5 99 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 5 97 5 - 3.5-28.9 HD2 LYS 24 - HA LYS 36 far 3 56 5 - 6.0-27.3 HD2 LYS 31 - HA ARG 23 far 3 55 5 - 5.6-16.4 HB2 LEU 98 - HA ARG 23 far 2 49 5 - 5.9-35.9 HD3 LYS 19 - HA ARG 23 far 0 51 0 - 6.1-16.1 HD3 LYS 31 - HA ARG 23 far 0 56 0 - 6.2-17.8 HD3 LYS 26 - HA LYS 19 far 0 100 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 47 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 98 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 56 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 97 0 - 7.0-22.3 HD2 LYS 19 - HA ARG 23 far 0 53 0 - 7.0-14.4 HD2 LYS 36 - HA LYS 26 far 0 100 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 53 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 100 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 100 0 - 7.4-24.1 HD3 LYS 36 - HA ARG 23 far 0 55 0 - 7.6-24.8 HD2 LYS 36 - HA ARG 23 far 0 55 0 - 7.6-24.0 HD3 LYS 24 - HA LYS 36 far 0 55 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 56 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 100 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 100 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 100 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 95 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 100 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 39 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 100 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 100 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 99 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 53 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 798 from aliabs.peaks (8.14, 4.27, 56.29 ppm; 5.34 A): 2 out of 7 assignments used, quality = 1.00: * H ILE 32 + HA LYS 31 OK 100 100 100 100 2.6-3.5 3.6=100 H ILE 32 + HA LYS 26 OK 40 100 50 80 2.9-13.0 6343/3.0=22...(17) H ILE 32 - HA LYS 36 far 8 56 15 - 6.4-12.7 H ILE 32 - HA ARG 23 far 0 56 0 - 7.1-17.7 H ILE 32 - HA LYS 19 far 0 100 0 - 8.0-25.1 H ASP 71 - HA LYS 31 far 0 99 0 - 8.0-15.9 H ASP 71 - HA LYS 36 far 0 54 0 - 9.1-14.2 Violated in 0 structures by 0.00 A. Peak 800 from aliabs.peaks (4.27, 1.74, 32.63 ppm; 3.91 A): 9 out of 71 assignments used, quality = 1.00: * HA LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLN 27 + HB2 LYS 26 OK 70 75 95 98 3.8-5.8 3.0/6262=71, ~6263=42...(26) HA THR 25 + HB2 LYS 24 OK 57 82 70 98 3.9-6.1 3.0/6232=57, ~6233=36...(24) HA LYS 26 + HB2 LYS 31 OK 40 100 45 88 2.0-13.6 790=10, 798/4.6=8...(93) HA THR 25 + HB2 LYS 26 OK 39 82 50 95 4.4-6.5 3.6/6250=69, 11151=19...(27) HA LYS 31 + HB2 LYS 26 OK 23 100 25 91 4.1-14.6 6342/809=14, 3.0/799=8...(117) HA ARG 23 + HB2 LYS 24 OK 22 98 30 74 4.9-6.5 424/4.1=55, 6240/6232=17...(10) HA ALA 21 - HB2 LYS 24 poor 18 70 25 - 3.8-10.8 HA ARG 23 - HB2 LYS 19 far 15 98 15 - 4.8-14.4 HA ALA 15 - HB2 LYS 19 far 15 98 15 - 2.0-12.9 HA THR 18 - HB2 LYS 24 far 14 96 15 - 3.7-15.2 HA THR 18 - HB2 LYS 19 far 14 96 15 - 4.6-6.1 HA LYS 19 - HB2 LYS 24 poor 14 100 30 47 2.2-13.5 822/2.9=4, 241/2.9=4...(27) HA ALA 16 - HB2 LYS 19 far 10 99 10 - 2.8-10.3 HA ARG 23 - HB2 LYS 31 far 10 99 10 - 4.7-18.9 HA THR 25 - HB2 LYS 31 far 8 83 10 - 2.3-14.6 HA LEU 22 - HB2 LYS 24 poor 8 99 25 33 3.7-8.4 6212/4.1=11, 11967/2.9=5...(9) HA ARG 23 - HB2 LYS 26 poor 6 98 25 25 2.1-11.0 424/6250=5, 6240/500=3...(8) HA LYS 31 - HB2 LYS 19 far 5 100 5 - 2.8-25.6 HA LYS 26 - HB2 LYS 19 far 5 100 5 - 3.8-20.4 HA LYS 26 - HB2 LYS 24 far 5 100 5 - 5.4-8.8 HA LYS 19 - HB2 LYS 26 far 5 100 5 - 5.3-21.5 HA ALA 16 - HB2 LYS 31 far 5 99 5 - 4.0-25.6 HA ALA 15 - HB2 LYS 31 far 5 98 5 - 4.3-23.9 HA GLN 61 - HB2 LYS 26 far 5 97 5 - 3.8-23.1 HA THR 18 - HB2 LYS 31 far 5 97 5 - 4.4-25.6 HA LYS 36 - HB2 LYS 24 far 5 93 5 - 4.8-29.5 HA ALA 12 - HB2 LYS 19 far 5 91 5 - 5.3-18.5 HA THR 25 - HB2 LYS 19 far 4 82 5 - 4.7-19.1 HA GLN 27 - HB2 LYS 24 far 4 75 5 - 4.6-11.1 HA ALA 110 - HB2 LYS 19 far 0 93 0 - 5.5-52.4 HA LYS 19 - HB2 LYS 31 far 0 100 0 - 5.5-26.5 HA ALA 28 - HB2 LYS 19 far 0 67 0 - 5.5-21.8 HA ALA 28 - HB2 LYS 26 far 0 67 0 - 5.6-8.0 HA GLN 27 - HB2 LYS 31 far 0 76 0 - 5.8-10.8 HA ALA 16 - HB2 LYS 24 far 0 99 0 - 5.9-18.1 HA ALA 109 - HB2 LYS 26 far 0 99 0 - 6.0-33.0 HA ALA 21 - HB2 LYS 19 far 0 70 0 - 6.0-8.4 HA ALA 21 - HB2 LYS 39 far 0 29 0 - 6.2-35.5 HA ALA 108 - HB2 LYS 26 far 0 99 0 - 6.2-31.7 HA GLN 61 - HB2 LYS 24 far 0 98 0 - 6.2-24.2 HA LYS 31 - HB2 LYS 24 far 0 100 0 - 6.3-18.8 HA LYS 36 - HB2 LYS 26 far 0 92 0 - 6.4-25.4 HA ALA 108 - HB2 LYS 24 far 0 99 0 - 6.4-38.3 HA ALA 15 - HB2 LYS 24 far 0 98 0 - 6.4-20.1 HA THR 18 - HB2 LYS 39 far 0 46 0 - 6.6-39.0 HA ALA 28 - HB2 LYS 24 far 0 68 0 - 6.6-12.7 HA ALA 28 - HB2 LYS 31 far 0 68 0 - 6.9-10.2 HA ALA 21 - HB2 LYS 26 far 0 70 0 - 6.9-15.5 HA LEU 22 - HB2 LYS 26 far 0 99 0 - 7.0-13.1 HA ALA 12 - HB2 LYS 31 far 0 92 0 - 7.0-25.5 HA ALA 21 - HB2 LYS 31 far 0 71 0 - 7.4-20.3 HA ALA 110 - HB2 LYS 26 far 0 92 0 - 7.5-34.3 HA GLN 61 - HB2 LYS 31 far 0 98 0 - 7.7-22.8 HA LEU 22 - HB2 LYS 19 far 0 99 0 - 7.8-10.4 HA ALA 12 - HB2 LYS 24 far 0 91 0 - 7.8-22.2 HA GLN 27 - HB2 LYS 19 far 0 75 0 - 7.8-21.0 HA ALA 15 - HB2 LYS 26 far 0 97 0 - 7.9-25.3 HA LYS 36 - HB2 LYS 31 far 0 93 0 - 8.0-15.2 HA LYS 36 - HB2 LYS 39 far 0 43 0 - 8.0-12.5 HA LYS 36 - HB2 LYS 19 far 0 93 0 - 8.1-34.9 HA THR 18 - HB2 LYS 26 far 0 96 0 - 8.2-20.4 HA ALA 109 - HB2 LYS 24 far 0 99 0 - 8.3-40.7 HA LYS 19 - HB2 LYS 39 far 0 51 0 - 8.4-39.1 HA LEU 22 - HB2 LYS 31 far 0 100 0 - 8.7-20.5 HA ALA 108 - HB2 LYS 19 far 0 99 0 - 9.0-49.4 HA ALA 109 - HB2 LYS 19 far 0 99 0 - 9.2-51.5 HA LEU 22 - HB2 LYS 39 far 0 50 0 - 9.9-31.8 HA SER 74 - HB2 LYS 31 far 0 87 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 801 from aliabs.peaks (1.74, 1.74, 32.63 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 HB2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 37 37 - 100 Peak 802 from aliabs.peaks (1.81, 1.74, 32.63 ppm; 2.50 A): 4 out of 35 assignments used, quality = 1.00: * HB3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB2 LYS 24 far 15 99 15 - 1.9-15.0 HB3 ARG 23 - HB2 LYS 26 far 15 99 15 - 2.2-12.8 HB3 LYS 31 - HB2 LYS 26 poor 14 100 35 41 1.9-14.9 6332/799=3, 617=3...(26) HB3 LYS 26 - HB2 LYS 31 poor 9 100 25 38 2.0-14.1 6332/6331=3, 3.0/639=2...(11) HB3 LYS 31 - HB2 LYS 19 far 5 100 5 - 1.9-25.4 HB3 LYS 26 - HB2 LYS 19 far 5 100 5 - 3.6-22.7 HB2 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.3-29.5 HB3 LYS 24 - HB2 LYS 19 far 0 100 0 - 4.0-14.4 HB ILE 32 - HB2 LYS 26 far 0 100 0 - 4.3-15.5 HB3 LYS 19 - HB2 LYS 26 far 0 99 0 - 4.5-22.1 HB3 LYS 24 - HB2 LYS 26 far 0 100 0 - 4.7-10.3 HB3 LYS 19 - HB2 LYS 31 far 0 100 0 - 4.8-27.2 HB3 LYS 31 - HB2 LYS 24 far 0 100 0 - 4.9-18.1 HB2 LYS 36 - HB2 LYS 26 far 0 99 0 - 5.0-25.1 HB ILE 32 - HB2 LYS 24 far 0 100 0 - 5.1-20.1 HB3 ARG 23 - HB2 LYS 24 far 0 99 0 - 5.2-7.4 HB3 LYS 26 - HB2 LYS 24 far 0 100 0 - 5.2-10.9 HB3 ARG 23 - HB2 LYS 31 far 0 99 0 - 5.4-20.6 HB ILE 32 - HB2 LYS 31 far 0 100 0 - 5.5-7.0 HB3 LEU 98 - HB2 LYS 24 far 0 60 0 - 5.6-33.1 HB2 CYS 79 - HB2 LYS 39 far 0 38 0 - 5.7-8.9 HB3 ARG 23 - HB2 LYS 19 far 0 99 0 - 6.1-14.6 HB3 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.1-18.4 HB2 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.2-14.4 HB3 LEU 103 - HB2 LYS 26 far 0 84 0 - 7.8-23.4 HB3 LEU 98 - HB2 LYS 26 far 0 59 0 - 8.1-28.2 HB ILE 32 - HB2 LYS 19 far 0 100 0 - 8.3-25.2 HB3 ARG 135 - HB2 LYS 39 far 0 49 0 - 8.4-15.3 HB2 LEU 100 - HB2 LYS 26 far 0 97 0 - 8.8-21.4 HB2 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.5-34.1 HB2 CYS 79 - HB2 LYS 19 far 0 86 0 - 9.5-37.6 Violated in 0 structures by 0.00 A. Peak 803 from aliabs.peaks (1.46, 1.74, 32.63 ppm; 4.39 A): 8 out of 31 assignments used, quality = 1.00: * HG2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB2 LYS 19 OK 84 84 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB2 LYS 26 OK 67 67 100 100 2.2-3.0 3.0=100 HG13 ILE 32 + HB2 LYS 31 OK 47 63 85 87 4.2-6.6 5.2/809=33, 6333/6331=17...(26) HG2 LYS 31 + HB2 LYS 26 OK 29 100 30 97 3.5-15.2 823=8, 989/1.8=6...(146) HG3 LYS 24 + HB2 LYS 19 OK 25 98 30 86 3.6-16.4 823=6, 822/3.0=5...(86) HG2 LYS 26 + HB2 LYS 31 OK 23 68 35 98 1.9-15.6 1.8/639=8, 4.0/790=6...(154) HG13 ILE 32 - HB2 LYS 26 poor 17 62 40 69 2.7-13.3 5.2/6343=10, ~10704=9...(25) HG3 LYS 19 - HB2 LYS 24 poor 17 84 20 - 2.7-16.0 HG2 LYS 31 - HB2 LYS 24 far 15 100 15 - 4.1-17.7 HG2 LYS 26 - HB2 LYS 24 far 10 68 15 - 5.2-11.5 HG2 LYS 31 - HB2 LYS 19 far 10 100 10 - 3.6-24.3 HG13 ILE 32 - HB2 LYS 24 far 6 62 10 - 5.6-18.1 HG3 LYS 36 - HB2 LYS 24 far 5 100 5 - 2.7-27.9 HG3 LYS 36 - HB2 LYS 31 far 5 100 5 - 4.9-12.3 HG3 LYS 36 - HB2 LYS 26 far 5 100 5 - 3.8-23.1 HG3 LYS 24 - HB2 LYS 26 far 5 97 5 - 2.9-11.4 HG3 LYS 19 - HB2 LYS 31 far 4 85 5 - 4.6-28.5 QB ALA 52 - HB2 LYS 24 far 0 75 0 - 5.9-23.5 HG3 LYS 19 - HB2 LYS 26 far 0 84 0 - 6.0-24.0 QB ALA 52 - HB2 LYS 26 far 0 75 0 - 6.0-21.4 HG2 LYS 26 - HB2 LYS 19 far 0 67 0 - 6.0-23.9 QB ALA 52 - HB2 LYS 19 far 0 75 0 - 6.0-27.6 HG13 ILE 32 - HB2 LYS 19 far 0 62 0 - 6.7-23.1 HG3 LYS 24 - HB2 LYS 31 far 0 98 0 - 6.7-18.1 HG3 LYS 36 - HB2 LYS 19 far 0 100 0 - 7.5-32.1 HG3 LYS 86 - HB2 LYS 39 far 0 37 0 - 9.3-14.9 HG3 LYS 24 - HB2 LYS 39 far 0 47 0 - 9.7-30.3 QB ALA 52 - HB2 LYS 31 far 0 76 0 - 9.9-21.5 HG3 LYS 19 - HB2 LYS 39 far 0 37 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 804 from aliabs.peaks (1.39, 1.74, 32.63 ppm; 4.05 A): 7 out of 64 assignments used, quality = 1.00: * HG3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HB2 LYS 24 OK 98 98 100 100 2.2-3.0 2.9=100 HG2 LYS 19 + HB2 LYS 19 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 LYS 26 + HB2 LYS 31 OK 38 100 40 96 2.0-14.6 639=9, 1.8/628=8...(132) HG3 LYS 31 + HB2 LYS 26 OK 29 100 30 96 3.1-14.0 1.8/823=7, 834=5...(124) QB ALA 28 + HB2 LYS 26 OK 25 100 30 82 4.9-6.6 6304/10770=46, ~10769=36...(12) QB ALA 15 - HB2 LYS 19 poor 20 100 20 - 3.2-11.8 QB ALA 16 - HB2 LYS 19 poor 20 99 20 - 4.3-10.2 HG2 LYS 24 - HB2 LYS 19 poor 20 98 20 - 3.7-16.8 QB ALA 12 - HB2 LYS 19 poor 17 67 25 - 3.2-16.2 HB2 LEU 42 - HB2 LYS 39 poor 16 45 35 - 4.9-6.9 QB ALA 15 - HB2 LYS 31 far 15 100 15 - 2.9-21.5 HG3 LYS 31 - HB2 LYS 19 far 10 100 10 - 2.7-23.1 HG3 LYS 31 - HB2 LYS 24 far 10 100 10 - 3.7-17.1 QB ALA 16 - HB2 LYS 31 far 10 99 10 - 3.9-22.2 HG2 LYS 19 - HB2 LYS 24 poor 10 91 25 42 3.4-16.9 514=2, ~823=2, 4.2/790=2...(24) QB ALA 28 - HB2 LYS 31 poor 9 100 25 37 3.9-8.1 6334/6331=14, ~10771=11...(5) QB ALA 15 - HB2 LYS 24 far 5 100 5 - 4.0-16.1 QB ALA 28 - HB2 LYS 19 far 5 100 5 - 5.0-20.0 QB ALA 110 - HB2 LYS 26 far 5 100 5 - 4.6-29.1 QB ALA 110 - HB2 LYS 19 far 5 100 5 - 5.2-44.1 HG2 LYS 36 - HB2 LYS 24 far 5 99 5 - 4.2-27.3 HG3 LYS 26 - HB2 LYS 24 far 5 100 5 - 5.4-11.1 QB ALA 108 - HB2 LYS 24 far 5 99 5 - 4.3-30.9 HG2 LYS 36 - HB2 LYS 26 far 5 99 5 - 5.5-22.8 QB ALA 108 - HB2 LYS 26 far 5 99 5 - 4.5-25.6 QB ALA 29 - HB2 LYS 24 far 5 99 5 - 4.1-11.9 QB ALA 29 - HB2 LYS 26 far 5 99 5 - 5.0-8.6 HG2 LYS 24 - HB2 LYS 26 far 5 97 5 - 2.2-11.2 HG2 LYS 19 - HB2 LYS 31 far 5 92 5 - 5.2-27.3 QB ALA 12 - HB2 LYS 31 far 3 68 5 - 4.2-20.5 QB ALA 28 - HB2 LYS 24 lone 2 100 25 10 3.6-11.7 6234/6232=3...(4) HG2 LYS 24 - HB2 LYS 31 far 0 98 0 - 5.6-19.7 QB ALA 29 - HB2 LYS 31 far 0 99 0 - 5.6-7.8 HG3 LYS 26 - HB2 LYS 19 far 0 100 0 - 6.0-22.5 QB ALA 12 - HB2 LYS 24 far 0 68 0 - 6.0-16.8 QB ALA 34 - HB2 LYS 24 far 0 60 0 - 6.0-20.9 QB ALA 34 - HB2 LYS 39 far 0 24 0 - 6.4-12.3 QB ALA 29 - HB2 LYS 19 far 0 99 0 - 6.4-20.3 HG2 LYS 19 - HB2 LYS 26 far 0 91 0 - 6.4-24.5 HG2 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.5-12.1 QB ALA 109 - HB2 LYS 26 far 0 100 0 - 6.6-26.4 QB ALA 109 - HB2 LYS 24 far 0 100 0 - 6.6-32.7 QB ALA 16 - HB2 LYS 24 far 0 99 0 - 6.8-16.1 HG3 LYS 95 - HB2 LYS 24 far 0 100 0 - 7.0-33.7 QB ALA 34 - HB2 LYS 26 far 0 59 0 - 7.2-17.5 QB ALA 109 - HB2 LYS 19 far 0 100 0 - 7.3-41.6 HG2 LYS 36 - HB2 LYS 19 far 0 99 0 - 7.3-32.2 QB ALA 15 - HB2 LYS 26 far 0 99 0 - 7.6-20.4 QB ALA 16 - HB2 LYS 26 far 0 99 0 - 7.8-20.6 HG2 LYS 95 - HB2 LYS 24 far 0 100 0 - 7.9-33.5 HG2 LYS 24 - HB2 LYS 39 far 0 47 0 - 8.0-31.6 QB ALA 12 - HB2 LYS 26 far 0 67 0 - 8.3-21.0 QB ALA 16 - HB2 LYS 39 far 0 49 0 - 8.9-31.7 QB ALA 12 - HB2 LYS 39 far 0 28 0 - 8.9-34.9 QB ALA 34 - HB2 LYS 31 far 0 60 0 - 8.9-11.3 QB ALA 34 - HB2 LYS 19 far 0 59 0 - 9.1-28.2 QB ALA 108 - HB2 LYS 19 far 0 99 0 - 9.4-40.4 HG2 LYS 36 - HB2 LYS 39 far 0 50 0 - 9.5-14.0 HB3 LEU 100 - HB2 LYS 26 far 0 95 0 - 9.6-21.1 QB ALA 108 - HB2 LYS 31 far 0 99 0 - 9.7-26.1 HG2 LYS 86 - HB2 LYS 39 far 0 25 0 - 9.7-16.0 QB ALA 110 - HB2 LYS 24 far 0 100 0 - 9.9-36.0 Violated in 0 structures by 0.00 A. Peak 805 from aliabs.peaks (1.65, 1.74, 32.63 ppm; 4.74 A): 15 out of 55 assignments used, quality = 1.00: * HD2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.1-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.2-4.1 3.9=100 HD2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 1.9-4.2 3.5=100 HD3 LYS 19 + HB2 LYS 19 OK 99 99 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 31 OK 54 99 55 98 2.4-15.6 2.9/639=8, 2.9/628=8...(164) HD2 LYS 26 + HB2 LYS 31 OK 44 100 45 99 3.3-16.0 2.9/639=8, 2.9/628=8...(183) HD2 LYS 31 + HB2 LYS 26 OK 40 100 40 99 4.5-13.8 10771/10770=18...(197) HG LEU 43 + HB2 LYS 39 OK 38 45 85 99 4.3-7.0 ~11901=55, ~9119=41...(20) HD2 LYS 39 + HB2 LYS 39 OK 31 31 100 100 2.3-3.5 3.6=100 HD3 LYS 24 + HB2 LYS 19 OK 29 100 30 96 4.7-15.4 3.0/823=5, 2632/1.8=4...(147) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 99 4.1-13.7 10771/10770=15...(221) HD2 LYS 19 - HB2 LYS 24 poor 18 99 35 52 4.1-16.1 305=2, 5.2/790=2...(8) HD2 LYS 24 - HB2 LYS 19 far 15 99 15 - 3.7-16.1 HD3 LYS 19 - HB2 LYS 24 poor 14 99 25 55 2.7-16.8 5.2/790=2, 1.8/305=2...(8) HD2 LYS 36 - HB2 LYS 26 far 10 99 10 - 5.6-20.8 HD3 LYS 24 - HB2 LYS 26 far 5 100 5 - 2.0-12.6 HD2 LYS 31 - HB2 LYS 24 far 5 100 5 - 4.7-17.2 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-23.0 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-23.5 HD3 LYS 24 - HB2 LYS 31 far 5 100 5 - 6.2-19.4 HD2 LYS 19 - HB2 LYS 31 far 5 100 5 - 4.9-28.2 HD3 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 5 100 5 - 6.1-12.1 HD3 LYS 36 - HB2 LYS 24 far 5 99 5 - 4.2-25.9 HD2 LYS 26 - HB2 LYS 19 far 5 100 5 - 6.2-21.7 HD2 LYS 24 - HB2 LYS 26 far 5 99 5 - 3.6-12.6 HD2 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.0-25.5 HD2 LYS 36 - HB2 LYS 31 far 5 99 5 - 5.5-12.6 HD3 LYS 19 - HB2 LYS 31 far 5 99 5 - 5.5-29.5 HD3 LYS 36 - HB2 LYS 26 far 5 99 5 - 6.1-21.8 HD3 LYS 26 - HB2 LYS 19 far 5 99 5 - 5.6-21.9 HB2 LEU 98 - HB2 LYS 24 far 5 98 5 - 5.1-34.5 HB2 LEU 98 - HB2 LYS 26 far 0 97 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 99 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 99 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 99 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 99 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 99 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 49 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 51 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 49 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 99 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 73 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 97 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 99 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 50 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 95 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 49 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 51 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 806 from aliabs.peaks (1.66, 1.74, 32.63 ppm; 4.74 A): 15 out of 55 assignments used, quality = 1.00: * HD3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 1.9-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 98 98 100 100 2.2-4.1 3.9=100 HD3 LYS 19 + HB2 LYS 19 OK 97 97 100 100 2.5-4.2 3.9=100 HD3 LYS 26 + HB2 LYS 31 OK 54 100 55 98 2.4-15.6 2.9/639=8, 2.9/628=8...(164) HD2 LYS 26 + HB2 LYS 31 OK 44 100 45 99 3.3-16.0 2.9/639=8, 2.9/628=8...(183) HD2 LYS 31 + HB2 LYS 26 OK 40 100 40 99 4.5-13.8 10771/10770=18...(198) HG LEU 43 + HB2 LYS 39 OK 35 42 85 99 4.3-7.0 ~11901=55, ~9119=41...(20) HD2 LYS 39 + HB2 LYS 39 OK 35 35 100 100 2.3-3.5 3.6=100 HD3 LYS 24 + HB2 LYS 19 OK 29 99 30 96 4.7-15.4 3.0/823=5, 2631/1.8=4...(147) HD3 LYS 31 + HB2 LYS 26 OK 25 100 25 99 4.1-13.7 10771/10770=15...(221) HD2 LYS 19 - HB2 LYS 24 poor 18 98 35 52 4.1-16.1 305=2, 5.2/790=2...(8) HD2 LYS 24 - HB2 LYS 19 far 15 100 15 - 3.7-16.1 HD3 LYS 19 - HB2 LYS 24 poor 13 97 25 55 2.7-16.8 5.2/790=2, 1.8/305=2...(8) HD2 LYS 36 - HB2 LYS 26 far 10 99 10 - 5.6-20.8 HD2 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 5 100 5 - 4.2-25.9 HD3 LYS 31 - HB2 LYS 19 far 5 100 5 - 4.6-23.5 HD2 LYS 24 - HB2 LYS 26 far 5 100 5 - 3.6-12.6 HD2 LYS 31 - HB2 LYS 24 far 5 100 5 - 4.7-17.2 HD3 LYS 24 - HB2 LYS 26 far 5 99 5 - 2.0-12.6 HD2 LYS 36 - HB2 LYS 31 far 5 100 5 - 5.5-12.6 HD3 LYS 31 - HB2 LYS 24 far 5 100 5 - 5.9-18.6 HD2 LYS 26 - HB2 LYS 24 far 5 100 5 - 6.1-12.1 HD2 LYS 31 - HB2 LYS 19 far 5 100 5 - 5.1-23.0 HD2 LYS 26 - HB2 LYS 19 far 5 100 5 - 6.2-21.7 HD3 LYS 26 - HB2 LYS 19 far 5 100 5 - 5.6-21.9 HD3 LYS 24 - HB2 LYS 31 far 5 100 5 - 6.2-19.4 HD3 LYS 36 - HB2 LYS 26 far 5 100 5 - 6.1-21.8 HD2 LYS 19 - HB2 LYS 31 far 5 99 5 - 4.9-28.2 HD3 LYS 19 - HB2 LYS 31 far 5 97 5 - 5.5-29.5 HB2 LEU 98 - HB2 LYS 24 far 5 95 5 - 5.1-34.5 HB2 LEU 98 - HB2 LYS 26 far 0 95 0 - 6.4-29.1 HD3 LYS 36 - HB2 LYS 31 far 0 100 0 - 6.5-12.1 HD3 LYS 19 - HB2 LYS 26 far 0 97 0 - 6.6-24.6 HD2 LYS 24 - HB2 LYS 31 far 0 100 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 98 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 100 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 50 0 - 7.5-15.4 HD3 LYS 24 - HB2 LYS 39 far 0 50 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 50 0 - 8.9-14.2 HD3 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 100 0 - 9.2-30.9 HD2 LYS 39 - HB2 LYS 24 far 0 80 0 - 9.5-33.8 HG LEU 62 - HB2 LYS 26 far 0 94 0 - 9.6-21.6 HD2 LYS 95 - HB2 LYS 24 far 0 100 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 98 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 48 0 - 9.8-40.0 HG LEU 43 - HB2 LYS 26 far 0 91 0 - 9.9-27.0 HD2 LYS 24 - HB2 LYS 39 far 0 50 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 51 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 807 from aliabs.peaks (2.96, 1.74, 32.63 ppm; 6.80 A): 19 out of 50 assignments used, quality = 1.00: * HE2 LYS 31 + HB2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HE2 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HE3 LYS 26 + HB2 LYS 26 OK 100 100 100 100 2.6-5.5 4.8=100 HE3 LYS 31 + HB2 LYS 31 OK 99 99 100 100 1.8-4.7 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 99 99 100 100 2.0-4.5 5.1=100 HE3 LYS 24 + HB2 LYS 24 OK 95 95 100 100 3.1-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 31 OK 65 100 65 99 3.2-17.5 6338/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 64 100 65 99 3.4-17.3 6338/6331=10, 3.6/639=9...(180) HE2 LYS 31 + HB2 LYS 26 OK 62 100 65 96 4.4-12.8 3.7/834=9, 7.1/799=8...(149) HE3 LYS 31 + HB2 LYS 26 OK 52 99 55 96 4.2-12.2 3.7/834=9, 7.1/799=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 47 95 50 98 5.3-18.0 4.0/823=6, 2634/1.8=5...(187) HE2 LYS 24 + HB2 LYS 19 OK 34 99 35 98 4.1-17.5 4.0/823=6, 1.8/1217=5...(186) HE2 LYS 19 + HB2 LYS 24 OK 28 100 35 80 3.8-18.2 6.4/790=3, 1025/2.9=2...(79) HE3 LYS 19 + HB2 LYS 24 OK 25 100 35 70 4.9-17.5 6.4/790=3, 1026/2.9=3...(58) HE2 LYS 39 + HB2 LYS 39 OK 23 23 100 100 3.0-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 23 23 100 100 3.7-4.5 4.9=100 HE3 LYS 36 + HB2 LYS 31 OK 20 100 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE3 LYS 24 - HB2 LYS 26 poor 19 95 20 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 14 100 35 39 3.5-12.9 6337/6331=3, ~2634=1...(5) HE2 LYS 26 - HB2 LYS 24 poor 11 100 50 22 5.6-12.3 9587/11151=6, 3.6/834=2 HE2 LYS 36 - HB2 LYS 24 far 10 100 10 - 1.9-26.5 HE2 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.2-25.0 HE2 LYS 31 - HB2 LYS 24 far 10 100 10 - 6.9-18.8 HE3 LYS 19 - HB2 LYS 31 far 10 100 10 - 7.1-27.9 HE2 LYS 19 - HB2 LYS 31 far 10 100 10 - 7.3-27.5 HE2 LYS 26 - HB2 LYS 19 far 10 100 10 - 6.8-24.3 HE2 LYS 24 - HB2 LYS 31 far 10 99 10 - 4.9-20.2 HE2 LYS 24 - HB2 LYS 26 far 10 99 10 - 4.0-13.1 HE3 LYS 31 - HB2 LYS 24 far 10 99 10 - 6.7-18.7 HE3 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.9-25.9 HE3 LYS 24 - HB2 LYS 31 far 10 96 10 - 5.8-20.7 HE3 LYS 26 - HB2 LYS 24 poor 9 100 35 27 5.3-12.3 9587/11151=8, 3.6/834=2 HE2 LYS 36 - HB2 LYS 26 poor 9 100 35 26 3.3-22.3 10721/10748=3 HE3 LYS 36 - HB2 LYS 26 poor 9 100 40 22 4.9-22.7 10721/10748=3 HE3 LYS 36 - HB2 LYS 24 far 5 100 5 - 3.6-27.4 HE3 LYS 26 - HB2 LYS 19 far 5 100 5 - 8.0-24.1 HE3 LYS 19 - HB2 LYS 26 far 5 100 5 - 8.2-24.9 HB2 CYS 45 - HB2 LYS 26 far 4 72 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 3 68 5 - 7.9-33.7 HE3 LYS 36 - HB2 LYS 19 far 0 100 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 51 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 73 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 86 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 31 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 51 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 73 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 45 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 808 from aliabs.peaks (2.95, 1.74, 32.63 ppm; 6.80 A): 19 out of 50 assignments used, quality = 1.00: * HE3 LYS 31 + HB2 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HE3 LYS 19 + HB2 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HE2 LYS 31 + HB2 LYS 31 OK 99 99 100 100 2.0-4.9 4.8=100 HE3 LYS 24 + HB2 LYS 24 OK 99 99 100 100 3.1-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 99 99 100 100 2.0-5.2 4.8=100 HE3 LYS 26 + HB2 LYS 26 OK 97 97 100 100 2.6-5.5 4.8=100 HE2 LYS 26 + HB2 LYS 31 OK 64 99 65 99 3.2-17.5 6337/6331=10, 3.6/639=9...(185) HE3 LYS 26 + HB2 LYS 31 OK 63 98 65 99 3.4-17.3 6337/6331=10, 3.6/639=9...(180) HE2 LYS 31 + HB2 LYS 26 OK 62 99 65 96 4.4-12.8 3.7/834=9, 7.1/799=8...(149) HE3 LYS 31 + HB2 LYS 26 OK 53 100 55 96 4.2-12.2 3.7/834=9, 7.1/799=8...(149) HE3 LYS 24 + HB2 LYS 19 OK 49 99 50 98 5.3-18.0 4.0/823=6, 2634/1.8=5...(187) HE2 LYS 24 + HB2 LYS 19 OK 34 100 35 98 4.1-17.5 4.0/823=6, 1.8/1217=5...(186) HE2 LYS 39 + HB2 LYS 39 OK 31 31 100 100 3.0-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 31 31 100 100 3.7-4.5 4.9=100 HE2 LYS 19 + HB2 LYS 24 OK 28 100 35 80 3.8-18.2 6.4/790=3, 532/2.9=2...(79) HE3 LYS 19 + HB2 LYS 24 OK 25 100 35 70 4.9-17.5 532/2.9=3, 6.4/790=3...(58) HE3 LYS 36 + HB2 LYS 31 OK 20 99 60 34 4.9-12.6 6337/6331=4, 2634/1.8=2, 683=1 HE3 LYS 24 - HB2 LYS 26 poor 20 99 20 - 4.4-13.6 HE2 LYS 36 - HB2 LYS 31 poor 14 99 35 39 3.5-12.9 6337/6331=2, ~2634=1...(5) HE2 LYS 26 - HB2 LYS 24 poor 11 99 50 22 5.6-12.3 9587/11151=6, 3.6/834=2 HE2 LYS 24 - HB2 LYS 31 far 10 100 10 - 4.9-20.2 HE2 LYS 24 - HB2 LYS 26 far 10 100 10 - 4.0-13.1 HE3 LYS 31 - HB2 LYS 19 far 10 100 10 - 5.9-25.9 HE3 LYS 31 - HB2 LYS 24 far 10 100 10 - 6.7-18.7 HE3 LYS 19 - HB2 LYS 31 far 10 100 10 - 7.1-27.9 HE2 LYS 19 - HB2 LYS 31 far 10 100 10 - 7.3-27.5 HE3 LYS 24 - HB2 LYS 31 far 10 99 10 - 5.8-20.7 HE2 LYS 36 - HB2 LYS 24 far 10 99 10 - 1.9-26.5 HE2 LYS 31 - HB2 LYS 19 far 10 99 10 - 5.2-25.0 HE2 LYS 31 - HB2 LYS 24 far 10 99 10 - 6.9-18.8 HE2 LYS 26 - HB2 LYS 19 far 10 99 10 - 6.8-24.3 HE3 LYS 26 - HB2 LYS 24 poor 9 98 35 27 5.3-12.3 9587/11151=8, 3.6/834=2 HE2 LYS 36 - HB2 LYS 26 poor 9 99 35 26 3.3-22.3 10721/10748=3 HE3 LYS 36 - HB2 LYS 26 poor 9 99 40 22 4.9-22.7 10721/10748=3 HE3 LYS 36 - HB2 LYS 24 far 5 99 5 - 3.6-27.4 HE3 LYS 19 - HB2 LYS 26 far 5 100 5 - 8.2-24.9 HE3 LYS 26 - HB2 LYS 19 far 5 98 5 - 8.0-24.1 HB2 CYS 45 - HB2 LYS 26 far 4 86 5 - 7.3-23.2 HB3 ASN 116 - HB2 LYS 24 far 4 82 5 - 7.9-33.7 HE3 LYS 36 - HB2 LYS 19 far 0 99 0 - 8.6-31.3 HE2 LYS 19 - HB2 LYS 26 far 0 100 0 - 8.6-23.4 HE3 LYS 36 - HB2 LYS 39 far 0 49 0 - 8.9-15.9 HB2 CYS 45 - HB2 LYS 31 far 0 87 0 - 9.2-18.1 HB3 ASN 121 - HB2 LYS 24 far 0 73 0 - 9.3-32.1 HB2 CYS 45 - HB2 LYS 39 far 0 38 0 - 9.6-12.2 HE2 LYS 36 - HB2 LYS 39 far 0 49 0 - 9.7-15.5 HB2 CYS 45 - HB2 LYS 24 far 0 86 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 49 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 811 from aliabs.peaks (4.27, 1.81, 32.63 ppm; 3.71 A): 11 out of 84 assignments used, quality = 1.00: * HA LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.3-2.7 3.0=100 HA LYS 36 + HB2 LYS 36 OK 74 74 100 100 2.2-3.0 3.0=100 HA GLN 27 + HB3 LYS 26 OK 43 74 60 97 4.1-5.6 3.0/6263=64, ~6262=38...(26) HA PHE 87 + HB2 LYS 86 OK 41 60 70 96 4.0-5.5 2.9/7156=44, ~7157=35...(20) HA THR 25 + HB3 LYS 24 OK 40 82 50 98 4.2-6.5 3.0/6233=55, ~6232=32...(23) HA ARG 23 + HB3 LYS 24 OK 35 98 50 71 4.4-6.2 424/4.1=50, 6240/6233=16...(12) HA LYS 26 + HB3 LYS 31 OK 33 100 40 81 2.7-15.0 790/1.8=7, 798/4.6=7...(62) HA ARG 84 + HB2 LYS 86 OK 25 37 85 79 4.8-5.5 2.8/7091=27, 2523=22...(11) HA LYS 31 + HB3 LYS 26 OK 22 100 25 87 4.4-15.8 6342/820=7, 3.0/6332=6...(116) HA ARG 23 - HB3 LYS 19 poor 19 96 20 - 4.3-14.0 HA LEU 22 - HB3 LYS 24 poor 15 99 50 31 4.2-7.6 6212/4.1=10, 11967/2.9=5...(9) HA LYS 19 - HB3 LYS 24 poor 15 100 35 42 2.0-13.2 822/2.9=4, 241/2.9=3...(21) HA ALA 21 - HB3 LYS 24 poor 14 70 20 - 3.5-10.5 HA THR 18 - HB3 LYS 24 far 10 96 10 - 4.0-14.9 HA THR 25 - HB3 LYS 31 far 8 83 10 - 2.7-15.0 HA ARG 23 - HB3 LYS 26 lone 6 98 30 19 2.0-11.3 424/6251=4, 6240/511=2...(4) HA ALA 21 - HB2 LYS 36 far 5 53 10 - 4.2-30.8 HA LYS 19 - HB3 LYS 31 far 5 100 5 - 3.9-25.7 HA ALA 16 - HB3 LYS 31 far 5 99 5 - 3.3-26.4 HA ARG 23 - HB3 LYS 31 far 5 99 5 - 4.2-18.6 HA LYS 31 - HB3 LYS 19 far 5 98 5 - 4.5-26.9 HA LYS 26 - HB3 LYS 19 far 5 98 5 - 5.0-20.0 HA ALA 109 - HB3 LYS 26 far 5 98 5 - 5.0-34.1 HA ALA 15 - HB3 LYS 31 far 5 98 5 - 4.8-24.3 HA ALA 16 - HB3 LYS 19 far 5 97 5 - 4.1-11.3 HA GLN 61 - HB3 LYS 26 far 5 97 5 - 4.1-24.5 HA THR 18 - HB3 LYS 31 far 5 97 5 - 2.8-25.1 HA ALA 15 - HB3 LYS 19 far 5 95 5 - 3.1-13.8 HA LYS 36 - HB3 LYS 24 far 5 93 5 - 4.3-28.6 HA ALA 110 - HB3 LYS 19 far 4 90 5 - 5.0-51.4 HA ALA 12 - HB3 LYS 19 far 4 88 5 - 4.1-19.2 HA THR 25 - HB3 LYS 26 far 4 81 5 - 4.7-6.6 HA THR 25 - HB3 LYS 19 far 4 79 5 - 4.2-18.3 HA GLN 27 - HB3 LYS 31 far 4 76 5 - 5.1-11.6 HA GLN 27 - HB3 LYS 24 far 4 75 5 - 4.9-11.9 HA ALA 21 - HB3 LYS 19 far 3 67 5 - 5.1-9.1 HA GLN 27 - HB2 LYS 36 far 3 58 5 - 4.4-21.6 HA ALA 28 - HB3 LYS 19 far 0 65 0 - 5.2-22.5 HA LYS 31 - HB2 LYS 36 far 0 85 0 - 5.5-14.2 HA LYS 19 - HB3 LYS 26 far 0 100 0 - 5.6-21.5 HA THR 18 - HB3 LYS 19 far 0 94 0 - 5.6-6.6 HA ALA 28 - HB3 LYS 24 far 0 67 0 - 5.6-14.0 HA ALA 108 - HB3 LYS 26 far 0 98 0 - 5.7-32.7 HA ALA 110 - HB3 LYS 26 far 0 92 0 - 5.7-35.3 HA THR 18 - HB2 LYS 36 far 0 78 0 - 5.7-36.4 HA THR 25 - HB2 LYS 36 far 0 64 0 - 5.9-25.6 HA ALA 15 - HB3 LYS 24 far 0 97 0 - 5.9-19.8 HA ALA 12 - HB3 LYS 31 far 0 92 0 - 6.0-26.6 HA LYS 26 - HB3 LYS 24 far 0 100 0 - 6.1-8.8 HA LEU 22 - HB3 LYS 26 far 0 99 0 - 6.3-13.3 HA LEU 22 - HB3 LYS 19 far 0 98 0 - 6.5-9.9 HA ARG 23 - HB2 LYS 36 far 0 81 0 - 6.5-28.2 HA ALA 15 - HB3 LYS 26 far 0 97 0 - 6.6-24.8 HA LYS 36 - HB3 LYS 31 far 0 93 0 - 6.7-16.3 HA ALA 28 - HB3 LYS 26 far 0 67 0 - 6.7-9.1 HA GLN 27 - HB3 LYS 19 far 0 72 0 - 6.8-21.6 HA ALA 28 - HB3 LYS 31 far 0 68 0 - 6.8-9.8 HA LYS 36 - HB3 LYS 26 far 0 92 0 - 6.9-25.7 HA LEU 22 - HB2 LYS 36 far 0 83 0 - 7.2-31.8 HA LYS 26 - HB2 LYS 36 far 0 85 0 - 7.2-24.7 HA ALA 16 - HB3 LYS 24 far 0 99 0 - 7.3-17.7 HA ALA 21 - HB3 LYS 26 far 0 69 0 - 7.3-15.2 HA ALA 21 - HB3 LYS 31 far 0 71 0 - 7.4-19.9 HA ALA 12 - HB3 LYS 24 far 0 91 0 - 7.6-23.5 HA THR 18 - HB3 LYS 26 far 0 95 0 - 7.6-20.1 HA LYS 31 - HB3 LYS 24 far 0 100 0 - 7.6-18.1 HA GLN 61 - HB3 LYS 31 far 0 98 0 - 7.6-24.0 HA GLN 61 - HB3 LYS 24 far 0 97 0 - 7.7-24.4 HA ALA 108 - HB3 LYS 24 far 0 99 0 - 7.7-37.7 HA LEU 22 - HB3 LYS 31 far 0 100 0 - 7.9-19.7 HA LYS 19 - HB2 LYS 36 far 0 85 0 - 7.9-35.2 HA ALA 109 - HB3 LYS 19 far 0 97 0 - 8.0-50.5 HA ALA 109 - HB3 LYS 24 far 0 99 0 - 8.3-39.9 HA ALA 15 - HB2 LYS 36 far 0 80 0 - 8.6-31.8 HA LYS 36 - HB3 LYS 19 far 0 90 0 - 8.6-35.4 HA GLN 61 - HB3 LYS 19 far 0 95 0 - 8.7-30.4 HA ALA 16 - HB3 LYS 26 far 0 99 0 - 8.8-24.5 HA ALA 108 - HB3 LYS 31 far 0 99 0 - 9.1-32.9 HA ALA 28 - HB2 LYS 36 far 0 51 0 - 9.1-19.3 HA ALA 16 - HB2 LYS 36 far 0 83 0 - 9.2-35.2 HA ALA 108 - HB3 LYS 19 far 0 97 0 - 9.5-48.5 HA SER 74 - HB3 LYS 31 far 0 87 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 812 from aliabs.peaks (1.74, 1.81, 32.63 ppm; 2.50 A): 5 out of 31 assignments used, quality = 1.00: * HB2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 1.8-1.8 1.8=100 HB ILE 80 + HB2 LYS 86 OK 25 57 50 86 3.6-6.1 9729/3.0=14, 9713/3.0=11...(33) HB2 LYS 24 - HB3 LYS 19 far 15 98 15 - 1.9-15.0 HB2 LYS 26 - HB3 LYS 31 poor 14 100 35 41 1.9-14.9 799/6332=3, 251=3...(26) HB2 ARG 23 - HB3 LYS 26 far 10 97 10 - 2.4-12.4 HB2 LYS 31 - HB3 LYS 26 poor 9 100 25 38 2.0-14.1 6331/6332=3, 639/3.0=2...(11) HB2 LYS 19 - HB3 LYS 31 far 5 100 5 - 1.9-25.4 HB2 LYS 19 - HB3 LYS 26 far 5 100 5 - 3.6-22.7 HB2 ARG 23 - HB3 LYS 31 far 5 98 5 - 3.6-20.4 HB2 LYS 24 - HB2 LYS 36 far 4 85 5 - 3.3-29.5 HB2 LYS 19 - HB3 LYS 24 far 0 100 0 - 4.0-14.4 HB2 LYS 26 - HB3 LYS 19 far 0 98 0 - 4.5-22.1 HB2 ARG 23 - HB3 LYS 24 far 0 97 0 - 4.7-7.6 HB2 LYS 26 - HB3 LYS 24 far 0 100 0 - 4.7-10.3 HB2 LYS 31 - HB3 LYS 19 far 0 98 0 - 4.8-27.2 HB2 LYS 24 - HB3 LYS 31 far 0 100 0 - 4.9-18.1 HB2 LYS 26 - HB2 LYS 36 far 0 85 0 - 5.0-25.1 HG3 ARG 90 - HB2 LYS 86 far 0 59 0 - 5.0-9.3 HB2 ARG 23 - HB3 LYS 19 far 0 95 0 - 5.1-13.2 HB2 LYS 24 - HB3 LYS 26 far 0 100 0 - 5.2-10.9 HB2 ARG 23 - HB2 LYS 36 far 0 80 0 - 5.9-26.6 HB2 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.1-18.4 HB2 LYS 31 - HB2 LYS 36 far 0 85 0 - 6.2-14.4 HG LEU 100 - HB3 LYS 26 far 0 56 0 - 7.7-21.8 HG13 ILE 129 - HB2 LYS 86 far 0 60 0 - 9.1-11.3 HB2 LYS 19 - HB2 LYS 36 far 0 85 0 - 9.5-34.1 HB3 LEU 70 - HB2 LYS 36 far 0 44 0 - 9.8-17.4 HG LEU 100 - HB3 LYS 24 far 0 56 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 813 from aliabs.peaks (1.81, 1.81, 32.63 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB3 LYS 26 + HB3 LYS 26 OK 99 99 - 100 HB3 LYS 19 + HB3 LYS 19 OK 98 98 - 100 HB2 LYS 36 + HB2 LYS 36 OK 83 83 - 100 HB2 LYS 86 + HB2 LYS 86 OK 46 46 - 100 Peak 814 from aliabs.peaks (1.46, 1.81, 32.63 ppm; 4.17 A): 10 out of 34 assignments used, quality = 1.00: * HG2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.2-3.0 2.9=100 HG3 LYS 36 + HB2 LYS 36 OK 85 85 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 81 81 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 67 67 100 100 2.2-3.0 3.0=100 HG3 LYS 86 + HB2 LYS 86 OK 45 45 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 26 OK 33 100 35 96 3.6-16.1 823/1.8=7, 526=7...(143) HG2 LYS 26 + HB3 LYS 31 OK 26 68 40 96 2.5-17.3 1.8/273=6, 526=6, ~639=6...(125) HG3 LYS 24 + HB3 LYS 19 OK 23 95 30 80 2.0-15.5 823/1.8=5, 822/3.0=5...(46) HG13 ILE 32 + HB3 LYS 31 OK 21 63 40 85 3.7-7.2 6345/4.6=29...(25) HG13 ILE 32 - HB3 LYS 26 poor 19 61 45 70 2.3-13.7 1.8/913=10, 3.2/10720=9...(24) HG13 ILE 32 - HB2 LYS 36 poor 19 47 40 - 4.1-11.8 HG3 LYS 19 - HB3 LYS 24 far 8 84 10 - 3.9-16.0 HG2 LYS 26 - HB2 LYS 36 far 5 51 10 - 4.0-27.3 HG3 LYS 36 - HB3 LYS 24 far 5 100 5 - 3.5-27.2 HG2 LYS 31 - HB3 LYS 24 far 5 100 5 - 4.5-18.4 HG3 LYS 36 - HB3 LYS 26 far 5 99 5 - 5.1-23.3 HG2 LYS 31 - HB3 LYS 19 far 5 98 5 - 4.2-25.3 HG3 LYS 24 - HB3 LYS 31 far 5 98 5 - 5.0-17.6 HG3 LYS 24 - HB3 LYS 26 far 5 97 5 - 3.6-11.7 HG3 LYS 19 - HB3 LYS 31 far 4 85 5 - 4.5-27.7 HG2 LYS 31 - HB2 LYS 36 far 4 85 5 - 3.7-16.4 HG3 LYS 19 - HB3 LYS 26 far 4 83 5 - 5.6-24.0 HG3 LYS 24 - HB2 LYS 36 far 4 80 5 - 5.5-27.7 QB ALA 52 - HB3 LYS 24 far 4 75 5 - 5.0-22.6 HG2 LYS 26 - HB3 LYS 24 far 3 67 5 - 5.5-11.9 HG13 ILE 32 - HB3 LYS 24 far 3 62 5 - 5.3-17.6 HG3 LYS 36 - HB3 LYS 31 far 0 100 0 - 6.0-13.7 HG2 LYS 26 - HB3 LYS 19 far 0 65 0 - 6.8-23.3 QB ALA 52 - HB3 LYS 19 far 0 72 0 - 7.2-28.5 QB ALA 52 - HB3 LYS 26 far 0 74 0 - 7.2-22.7 HG3 LYS 36 - HB3 LYS 19 far 0 98 0 - 8.3-32.7 HG13 ILE 32 - HB3 LYS 19 far 0 59 0 - 8.3-24.4 QB ALA 92 - HB2 LYS 86 far 0 32 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 815 from aliabs.peaks (1.39, 1.81, 32.63 ppm; 3.87 A): 8 out of 70 assignments used, quality = 1.00: * HG3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 97 97 100 100 2.3-3.0 2.9=100 HG2 LYS 19 + HB3 LYS 19 OK 88 88 100 100 2.5-3.0 3.0=100 HG2 LYS 36 + HB2 LYS 36 OK 83 83 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 37 100 40 93 2.2-16.3 1.8/629=8, 639/1.8=8...(103) HG3 LYS 31 + HB3 LYS 26 OK 33 100 35 94 3.3-14.9 835=5, 1.8/284=5...(136) HG2 LYS 86 + HB2 LYS 86 OK 31 31 100 100 2.2-3.0 3.0=100 HG2 LYS 24 - HB3 LYS 19 poor 19 95 20 - 2.0-15.9 QB ALA 28 - HB3 LYS 31 far 15 100 15 - 4.8-8.0 QB ALA 15 - HB3 LYS 31 far 15 100 15 - 2.6-21.8 QB ALA 15 - HB3 LYS 19 far 15 98 15 - 4.0-12.6 QB ALA 12 - HB3 LYS 19 far 10 65 15 - 1.9-16.7 HG2 LYS 19 - HB3 LYS 24 poor 10 91 25 42 3.4-16.0 514/1.8=2, ~823=2...(15) HG3 LYS 31 - HB3 LYS 24 far 5 100 5 - 4.8-17.7 QB ALA 110 - HB3 LYS 26 far 5 99 5 - 3.1-29.9 QB ALA 16 - HB3 LYS 31 far 5 99 5 - 3.6-22.8 QB ALA 15 - HB3 LYS 24 far 5 99 5 - 4.1-15.5 QB ALA 28 - HB3 LYS 26 far 5 100 5 - 5.2-7.7 HG2 LYS 36 - HB3 LYS 24 far 5 99 5 - 4.9-26.5 QB ALA 29 - HB3 LYS 24 far 5 99 5 - 2.6-12.1 QB ALA 108 - HB3 LYS 24 far 5 99 5 - 5.2-30.4 QB ALA 108 - HB3 LYS 26 far 5 99 5 - 3.5-26.4 HG3 LYS 31 - HB3 LYS 19 far 5 98 5 - 3.7-24.3 QB ALA 28 - HB3 LYS 19 far 5 98 5 - 5.1-20.6 QB ALA 110 - HB3 LYS 19 far 5 98 5 - 5.1-43.2 QB ALA 29 - HB3 LYS 26 far 5 98 5 - 5.3-9.5 HG2 LYS 24 - HB3 LYS 31 far 5 98 5 - 5.1-19.1 HG2 LYS 24 - HB3 LYS 26 far 5 97 5 - 2.9-11.3 QB ALA 16 - HB3 LYS 19 far 5 97 5 - 4.9-10.4 HG2 LYS 19 - HB3 LYS 31 far 5 92 5 - 4.7-26.5 HG3 LYS 31 - HB2 LYS 36 far 4 85 5 - 3.8-16.2 HG3 LYS 26 - HB2 LYS 36 far 4 84 5 - 4.6-27.1 QB ALA 29 - HB2 LYS 36 far 4 82 5 - 5.0-13.4 QB ALA 12 - HB3 LYS 31 far 3 68 5 - 3.4-20.9 QB ALA 34 - HB3 LYS 24 far 3 59 5 - 4.6-20.2 QB ALA 34 - HB2 LYS 36 far 2 44 5 - 5.3-7.2 QB ALA 28 - HB3 LYS 24 lone 2 100 25 7 3.3-12.8 6234/6233=3, 10790=1 HG3 LYS 26 - HB3 LYS 24 far 0 99 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 80 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 100 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 99 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 100 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 99 0 - 5.9-8.3 QB ALA 16 - HB3 LYS 24 far 0 99 0 - 6.0-15.3 HG2 LYS 19 - HB3 LYS 26 far 0 90 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 99 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 98 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 97 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 77 0 - 6.5-10.8 QB ALA 16 - HB2 LYS 36 far 0 83 0 - 6.6-28.2 HG2 LYS 95 - HB3 LYS 24 far 0 100 0 - 6.7-33.3 HG2 LYS 36 - HB3 LYS 26 far 0 99 0 - 6.8-22.9 QB ALA 12 - HB3 LYS 24 far 0 67 0 - 6.9-17.9 QB ALA 16 - HB3 LYS 26 far 0 99 0 - 7.0-20.5 HG3 LYS 26 - HB3 LYS 19 far 0 98 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 84 0 - 7.4-28.2 QB ALA 34 - HB3 LYS 26 far 0 59 0 - 7.5-18.8 HG2 LYS 36 - HB3 LYS 31 far 0 100 0 - 7.5-13.3 QB ALA 28 - HB2 LYS 36 far 0 85 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 98 0 - 8.2-32.7 QB ALA 12 - HB3 LYS 26 far 0 67 0 - 8.2-20.8 QB ALA 108 - HB3 LYS 31 far 0 99 0 - 8.5-26.6 QB ALA 110 - HB3 LYS 24 far 0 100 0 - 9.1-35.2 QB ALA 34 - HB3 LYS 31 far 0 60 0 - 9.1-11.7 HB3 LEU 100 - HB3 LYS 26 far 0 94 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 73 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 97 0 - 9.7-39.7 QB ALA 12 - HB2 LYS 36 far 0 51 0 - 9.8-26.6 QB ALA 109 - HB3 LYS 31 far 0 100 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 816 from aliabs.peaks (1.65, 1.81, 32.63 ppm; 4.91 A): 18 out of 60 assignments used, quality = 1.00: * HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.2-4.0 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 98 98 100 100 2.0-4.1 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 97 97 100 100 2.1-3.7 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 83 83 100 100 2.1-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 82 82 100 100 2.0-4.2 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 60 60 100 100 2.3-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 60 60 100 100 2.0-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 49 100 50 99 2.9-17.3 2.9/629=9, 6336/6332=6...(166) HD3 LYS 26 + HB3 LYS 31 OK 44 99 45 98 3.4-17.4 2.9/629=9, 6336/6332=7...(151) HD2 LYS 31 + HB3 LYS 26 OK 35 100 35 100 4.2-14.4 10771/10769=19...(224) HD3 LYS 31 + HB3 LYS 26 OK 35 99 35 100 4.5-14.4 10771/10769=16...(228) HD2 LYS 24 + HB3 LYS 19 OK 33 97 35 97 2.0-16.0 3.0/526=4, ~823=4...(158) HD3 LYS 24 + HB3 LYS 19 OK 32 98 35 94 3.5-15.3 3.0/526=4, ~823=4...(130) HD2 LYS 19 - HB3 LYS 24 poor 19 99 30 63 3.7-15.7 305/1.8=2, 5.2/240=2...(12) HD3 LYS 26 - HB2 LYS 36 poor 17 82 30 69 4.4-27.1 ~1004=6, ~1003=6...(29) HD3 LYS 19 - HB3 LYS 24 poor 16 99 25 66 2.0-16.3 5.2/240=2, 3.0/815=1...(22) QB ALA 88 - HB2 LYS 86 poor 16 57 35 80 6.1-6.7 9851/4.6=28, 2616/3.0=22...(14) HD2 LYS 26 - HB2 LYS 36 poor 15 84 25 70 5.1-27.9 ~1004=6, ~1003=6...(30) HG2 ARG 84 - HB2 LYS 86 poor 12 46 25 - 5.5-8.0 HD3 LYS 24 - HB3 LYS 26 far 10 99 10 - 3.7-12.3 HD3 LYS 36 - HB3 LYS 24 far 10 99 10 - 5.5-25.2 HD2 LYS 19 - HB3 LYS 31 far 5 100 5 - 3.6-27.6 HD2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.4-17.9 HD3 LYS 19 - HB3 LYS 31 far 5 99 5 - 4.1-28.8 HD2 LYS 36 - HB3 LYS 24 far 5 99 5 - 4.2-24.7 HD2 LYS 24 - HB3 LYS 26 far 5 99 5 - 5.1-12.6 HD3 LYS 36 - HB3 LYS 26 far 5 99 5 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 19 far 5 98 5 - 6.0-24.2 HD3 LYS 31 - HB3 LYS 19 far 5 98 5 - 5.9-24.7 HB2 LEU 98 - HB3 LYS 24 far 5 97 5 - 5.2-34.1 HD2 LYS 31 - HB2 LYS 36 far 4 85 5 - 5.0-15.5 HD3 LYS 31 - HB2 LYS 36 far 4 84 5 - 5.9-14.3 HD2 LYS 24 - HB2 LYS 36 far 4 83 5 - 5.7-27.6 HG3 ARG 84 - HB2 LYS 86 far 3 50 5 - 5.4-8.3 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 99 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 98 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 98 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 83 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 97 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 99 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 85 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 98 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 99 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 99 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 99 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 99 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 97 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 100 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 77 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 99 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 100 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 73 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 817 from aliabs.peaks (1.66, 1.81, 32.63 ppm; 4.91 A): 18 out of 60 assignments used, quality = 1.00: * HD3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.5-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-4.1 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 96 96 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 94 94 100 100 2.1-3.7 3.9=100 HD3 LYS 36 + HB2 LYS 36 OK 84 84 100 100 2.1-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 84 84 100 100 2.0-4.2 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 60 60 100 100 2.3-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 59 59 100 100 2.0-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 31 OK 50 100 50 99 2.9-17.3 2.9/629=9, 6336/6332=6...(166) HD3 LYS 26 + HB3 LYS 31 OK 44 100 45 98 3.4-17.4 2.9/629=9, 6336/6332=7...(151) HD3 LYS 31 + HB3 LYS 26 OK 35 100 35 100 4.5-14.4 10771/10769=16...(228) HD2 LYS 31 + HB3 LYS 26 OK 35 99 35 100 4.2-14.4 10771/10769=20...(224) HD2 LYS 24 + HB3 LYS 19 OK 33 98 35 96 2.0-16.0 3.0/526=4, ~823=4...(158) HD3 LYS 24 + HB3 LYS 19 OK 32 98 35 94 3.5-15.3 3.0/526=4, ~823=4...(130) HD2 LYS 19 - HB3 LYS 24 poor 19 98 30 63 3.7-15.7 305/1.8=2, 5.2/240=2...(12) HD3 LYS 26 - HB2 LYS 36 poor 17 84 30 69 4.4-27.1 ~1004=6, ~1003=6...(29) QB ALA 88 - HB2 LYS 86 poor 17 59 35 80 6.1-6.7 9851/4.6=28, 2616/3.0=22...(14) HD3 LYS 19 - HB3 LYS 24 poor 16 97 25 66 2.0-16.3 5.2/240=2, 3.0/815=1...(22) HD2 LYS 26 - HB2 LYS 36 poor 15 85 25 70 5.1-27.9 ~1004=6, ~1003=6...(30) HG2 ARG 84 - HB2 LYS 86 poor 10 42 25 - 5.5-8.0 HD3 LYS 36 - HB3 LYS 24 far 10 100 10 - 5.5-25.2 HD3 LYS 24 - HB3 LYS 26 far 10 99 10 - 3.7-12.3 HD2 LYS 36 - HB3 LYS 24 far 5 99 5 - 4.2-24.7 HD2 LYS 31 - HB3 LYS 24 far 5 100 5 - 5.4-17.9 HD2 LYS 24 - HB3 LYS 26 far 5 99 5 - 5.1-12.6 HD3 LYS 36 - HB3 LYS 26 far 5 99 5 - 6.0-22.1 HD2 LYS 19 - HB3 LYS 31 far 5 99 5 - 3.6-27.6 HD3 LYS 31 - HB3 LYS 19 far 5 98 5 - 5.9-24.7 HD2 LYS 31 - HB3 LYS 19 far 5 98 5 - 6.0-24.2 HD3 LYS 19 - HB3 LYS 31 far 5 97 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 5 95 5 - 5.2-34.1 HD3 LYS 31 - HB2 LYS 36 far 4 85 5 - 5.9-14.3 HD2 LYS 31 - HB2 LYS 36 far 4 84 5 - 5.0-15.5 HD2 LYS 24 - HB2 LYS 36 far 4 84 5 - 5.7-27.6 HG3 ARG 84 - HB2 LYS 86 far 2 46 5 - 5.4-8.3 HD3 LYS 31 - HB3 LYS 24 far 0 100 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 100 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 98 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 99 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 81 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 98 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 100 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 100 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 83 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 96 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 100 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 98 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 100 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 100 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 99 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 94 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 99 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 73 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 98 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 99 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 80 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 818 from aliabs.peaks (2.96, 1.81, 32.63 ppm; 6.80 A): 21 out of 55 assignments used, quality = 1.00: * HE2 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 99 99 100 100 2.0-5.4 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.0-5.1 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.3-4.8 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 95 95 100 100 2.8-5.3 5.1=100 HE3 LYS 36 + HB2 LYS 36 OK 85 85 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 85 85 100 100 3.3-4.7 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 60 100 60 99 2.2-19.2 6338/6332=10, 3.6/629=10...(165) HE3 LYS 86 + HB2 LYS 86 OK 60 60 100 100 3.0-3.5 4.9=100 HE3 LYS 26 + HB3 LYS 31 OK 59 100 60 99 3.3-19.0 6338/6332=10, 3.6/629=10...(160) HE2 LYS 31 + HB3 LYS 26 OK 58 100 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 31 + HB3 LYS 26 OK 48 99 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(138) HE3 LYS 24 + HB3 LYS 19 OK 45 92 50 97 3.9-16.9 4.0/526=5, 11770/3.0=5...(161) HE2 LYS 26 + HB2 LYS 36 OK 42 85 55 91 2.4-29.4 1004/1.8=17, ~1004=13...(60) HE3 LYS 26 + HB2 LYS 36 OK 37 84 50 88 2.6-28.9 1004/1.8=15, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 33 97 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 29 100 35 83 3.5-17.2 1025/2.9=2, 613/1.8=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 28 100 35 79 4.6-17.1 1025/2.9=3, 6.4/240=2...(92) HE2 LYS 24 - HB3 LYS 31 poor 20 99 20 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 20 100 55 36 4.9-14.1 6337/6332=4...(3) HE3 LYS 19 - HB3 LYS 31 far 15 100 15 - 6.2-27.1 HE2 LYS 24 - HB3 LYS 26 far 15 99 15 - 5.2-13.2 HE3 LYS 24 - HB3 LYS 31 far 14 96 15 - 6.7-20.0 HE3 LYS 24 - HB3 LYS 26 far 14 94 15 - 6.0-13.6 HE2 LYS 36 - HB3 LYS 31 poor 14 100 35 40 5.3-14.3 10813/10751=3...(14) HE2 LYS 36 - HB3 LYS 24 far 10 100 10 - 3.5-25.9 HE2 LYS 26 - HB3 LYS 19 far 10 98 10 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 10 98 10 - 6.5-26.1 HE3 LYS 26 - HB3 LYS 19 far 10 98 10 - 7.6-23.7 HE3 LYS 31 - HB3 LYS 19 far 10 97 10 - 7.4-27.0 HE2 LYS 26 - HB3 LYS 24 lone 8 100 45 17 5.5-13.1 ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 7 100 35 21 4.8-12.9 9587/985=1, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 7 100 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 7 100 25 27 4.2-22.7 10721/10720=3, 10813/10751=3 HE2 LYS 19 - HB3 LYS 31 far 5 100 5 - 5.8-26.9 HE3 LYS 36 - HB3 LYS 24 far 5 100 5 - 5.2-26.7 HE2 LYS 31 - HB3 LYS 24 far 5 100 5 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 5 99 5 - 8.0-25.2 HE3 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.6-18.3 HB2 CYS 45 - HB2 LYS 36 lone 4 55 55 14 1.8-11.9 10889/10749=3...(6) HE2 LYS 24 - HB2 LYS 36 far 4 83 5 - 6.1-29.9 HE2 LYS 31 - HB2 LYS 36 lone 4 85 40 12 6.2-12.8 10721/10898=4, 9008/929=3 HE3 LYS 24 - HB2 LYS 36 far 4 77 5 - 7.5-29.6 HB2 CYS 45 - HB3 LYS 26 far 4 72 5 - 7.5-24.2 HE3 LYS 31 - HB2 LYS 36 lone 2 83 25 11 5.6-14.2 10840/10898=4, 9008/929=3 HB3 ASN 116 - HB3 LYS 24 far 0 67 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 86 0 - 8.8-31.5 HE3 LYS 39 - HB2 LYS 86 far 0 28 0 - 9.1-16.1 HB2 CYS 45 - HB3 LYS 31 far 0 73 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 98 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 70 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 819 from aliabs.peaks (2.95, 1.81, 32.63 ppm; 6.80 A): 21 out of 56 assignments used, quality = 1.00: * HE3 LYS 31 + HB3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.0-5.1 5.1=100 HE2 LYS 31 + HB3 LYS 31 OK 99 99 100 100 2.0-5.2 4.8=100 HE3 LYS 24 + HB3 LYS 24 OK 99 99 100 100 2.8-5.3 5.1=100 HE2 LYS 26 + HB3 LYS 26 OK 99 99 100 100 3.3-5.0 4.8=100 HE2 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 98 98 100 100 2.3-4.8 5.1=100 HE3 LYS 26 + HB3 LYS 26 OK 97 97 100 100 2.0-5.4 4.8=100 HE3 LYS 36 + HB2 LYS 36 OK 82 82 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 82 82 100 100 3.3-4.7 4.9=100 HE3 LYS 86 + HB2 LYS 86 OK 60 60 100 100 3.0-3.5 4.9=100 HE2 LYS 26 + HB3 LYS 31 OK 59 99 60 99 2.2-19.2 6337/6332=10, 3.6/629=10...(165) HE3 LYS 26 + HB3 LYS 31 OK 58 98 60 99 3.3-19.0 6337/6332=10, 3.6/629=10...(160) HE2 LYS 31 + HB3 LYS 26 OK 57 99 60 96 3.9-12.8 3.7/1019=8, 3.7/835=7...(137) HE3 LYS 31 + HB3 LYS 26 OK 48 100 50 96 4.4-13.0 3.7/1019=8, 3.7/835=7...(138) HE3 LYS 24 + HB3 LYS 19 OK 47 97 50 97 3.9-16.9 11770/3.0=5, 4.0/526=5...(161) HE2 LYS 26 + HB2 LYS 36 OK 42 83 55 91 2.4-29.4 1004/1.8=17, ~1004=13...(60) HE3 LYS 26 + HB2 LYS 36 OK 35 80 50 88 2.6-28.9 1004/1.8=14, ~1004=14...(37) HE2 LYS 24 + HB3 LYS 19 OK 34 98 35 98 2.6-16.3 ~1228=6, ~1217=6...(162) HE2 LYS 19 + HB3 LYS 24 OK 29 100 35 83 3.5-17.2 532/2.9=2, ~532=2...(109) HE3 LYS 19 + HB3 LYS 24 OK 28 100 35 79 4.6-17.1 532/2.9=3, 6.4/240=2...(92) HE3 LYS 36 - HB3 LYS 31 poor 20 99 55 36 4.9-14.1 6337/6332=4...(3) HE3 LYS 19 - HB3 LYS 31 far 15 100 15 - 6.2-27.1 HE2 LYS 24 - HB3 LYS 26 far 15 100 15 - 5.2-13.2 HE3 LYS 24 - HB3 LYS 31 far 15 99 15 - 6.7-20.0 HE3 LYS 24 - HB3 LYS 26 far 15 99 15 - 6.0-13.6 HE2 LYS 36 - HB3 LYS 31 poor 14 99 35 40 5.3-14.3 10813/10751=3...(14) HE2 LYS 36 - HB3 LYS 24 far 10 99 10 - 3.5-25.9 HE3 LYS 31 - HB3 LYS 19 far 10 98 10 - 7.4-27.0 HE2 LYS 26 - HB3 LYS 19 far 10 97 10 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 10 97 10 - 6.5-26.1 HE3 LYS 26 - HB3 LYS 19 far 10 95 10 - 7.6-23.7 HE2 LYS 26 - HB3 LYS 24 lone 8 99 45 17 5.5-13.1 ~294=1 HE3 LYS 26 - HB3 LYS 24 poor 7 97 35 21 4.8-12.9 9587/985=1, ~294=1 HE3 LYS 36 - HB3 LYS 26 poor 7 98 25 27 5.3-23.0 10721/10720=4, 10813/10751=2 HE2 LYS 36 - HB3 LYS 26 poor 7 98 25 27 4.2-22.7 10721/10720=3, 10813/10751=2 HB2 CYS 45 - HB2 LYS 36 lone 6 68 55 15 1.8-11.9 10889/10749=4...(6) HE2 LYS 19 - HB3 LYS 31 far 5 100 5 - 5.8-26.9 HE3 LYS 31 - HB3 LYS 24 far 5 100 5 - 7.6-18.3 HE3 LYS 19 - HB3 LYS 26 far 5 99 5 - 8.0-25.2 HE3 LYS 36 - HB3 LYS 24 far 5 99 5 - 5.2-26.7 HE2 LYS 31 - HB3 LYS 24 far 5 99 5 - 7.8-18.3 HB2 CYS 45 - HB3 LYS 26 far 4 85 5 - 7.5-24.2 HE2 LYS 24 - HB2 LYS 36 far 4 85 5 - 6.1-29.9 HE3 LYS 24 - HB2 LYS 36 far 4 83 5 - 7.5-29.6 HE2 LYS 31 - HB2 LYS 36 lone 4 83 40 11 6.2-12.8 10721/10898=4, 9008/929=3 HD2 ARG 135 - HB2 LYS 86 far 3 32 10 - 7.9-12.6 HE3 LYS 31 - HB2 LYS 36 lone 2 85 25 11 5.6-14.2 10840/10898=4, 9008/929=3 HE2 LYS 24 - HB3 LYS 31 lone 1 100 20 3 6.0-19.3 HB3 ASN 116 - HB3 LYS 24 far 0 82 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 99 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 73 0 - 8.8-31.5 HE3 LYS 39 - HB2 LYS 86 far 0 37 0 - 9.1-16.1 HB2 CYS 45 - HB3 LYS 31 far 0 87 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 97 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 83 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 822 from aliabs.peaks (4.27, 1.46, 24.57 ppm; 3.72 A): 6 out of 67 assignments used, quality = 1.00: * HA LYS 31 + HG2 LYS 31 OK 99 100 100 99 2.1-4.2 3.8=93, ~6332=22...(25) HA LYS 19 + HG3 LYS 19 OK 60 61 100 99 2.6-4.0 4.2=72, 3.0/6152=32...(39) HA LYS 36 + HG3 LYS 36 OK 57 58 100 100 3.0-4.2 4.1=73, 3.0/6395=59...(27) HA THR 25 + HG3 LYS 24 OK 24 73 35 95 3.0-7.0 ~6234=27, 3.0/6235=23...(30) HA LYS 26 + HG2 LYS 31 OK 23 100 30 76 3.2-15.5 790/3.0=5, 597=5...(39) HA LYS 19 + HG3 LYS 24 OK 21 93 40 56 1.9-15.2 242=5, 241/1.8=4...(15) HA ALA 21 - HG3 LYS 24 poor 15 61 25 - 2.9-11.0 HA THR 25 - HG2 LYS 31 far 12 83 15 - 2.1-16.1 HA ALA 15 - HG3 LYS 19 poor 11 57 20 - 3.0-14.8 HA LEU 22 - HG3 LYS 24 poor 10 92 30 37 4.0-9.2 6212/6223=11...(9) HA ALA 16 - HG2 LYS 31 far 10 99 10 - 4.0-28.1 HA ARG 23 - HG2 LYS 31 far 10 99 10 - 3.9-16.8 HA THR 18 - HG3 LYS 19 far 6 55 10 - 5.2-7.2 HA ALA 15 - HG2 LYS 31 far 5 98 5 - 3.6-24.5 HA THR 18 - HG2 LYS 31 far 5 97 5 - 2.4-23.7 HA ARG 23 - HG3 LYS 24 far 5 90 5 - 4.1-7.1 HA ALA 15 - HG3 LYS 24 far 4 90 5 - 5.0-22.0 HA THR 18 - HG3 LYS 24 far 4 87 5 - 3.7-15.7 HA LYS 31 - HG3 LYS 19 far 3 61 5 - 4.9-27.9 HA ALA 16 - HG3 LYS 19 far 3 59 5 - 5.0-11.8 HA ALA 12 - HG3 LYS 19 far 3 51 5 - 5.2-19.0 HA THR 25 - HG3 LYS 19 far 2 44 5 - 5.1-20.2 HA GLN 27 - HG3 LYS 36 far 2 44 5 - 4.9-19.7 HA ALA 21 - HG3 LYS 36 far 2 40 5 - 3.3-29.1 HA LYS 26 - HG3 LYS 19 far 0 61 0 - 5.3-21.7 HA THR 18 - HG3 LYS 36 far 0 61 0 - 5.3-34.6 HA LYS 36 - HG2 LYS 31 far 0 93 0 - 5.4-17.1 HA GLN 27 - HG3 LYS 24 far 0 66 0 - 5.4-13.3 HA LYS 26 - HG3 LYS 24 far 0 93 0 - 5.5-9.6 HA LYS 31 - HG3 LYS 36 far 0 67 0 - 5.5-12.3 HA ALA 28 - HG3 LYS 24 far 0 59 0 - 5.5-13.3 HA ALA 28 - HG2 LYS 31 far 0 68 0 - 5.6-11.4 HA ALA 108 - HG3 LYS 24 far 0 91 0 - 5.6-39.9 HA LYS 19 - HG2 LYS 31 far 0 100 0 - 5.8-24.5 HA LYS 26 - HG3 LYS 36 far 0 67 0 - 5.8-22.9 HA LYS 31 - HG3 LYS 24 far 0 93 0 - 6.1-18.0 HA GLN 27 - HG2 LYS 31 far 0 76 0 - 6.3-11.7 HA ARG 23 - HG3 LYS 36 far 0 64 0 - 6.5-26.4 HA ARG 23 - HG3 LYS 19 far 0 58 0 - 6.5-15.5 HA THR 25 - HG3 LYS 36 far 0 49 0 - 6.5-24.0 HA LYS 19 - HG3 LYS 36 far 0 67 0 - 6.6-33.2 HA LYS 36 - HG3 LYS 24 far 0 83 0 - 6.7-27.7 HA ALA 16 - HG3 LYS 24 far 0 92 0 - 7.1-19.8 HA ALA 16 - HG3 LYS 36 far 0 65 0 - 7.4-33.4 HA ALA 28 - HG3 LYS 19 far 0 34 0 - 7.5-22.4 HA LEU 22 - HG3 LYS 19 far 0 60 0 - 7.6-11.9 HA ALA 109 - HG3 LYS 24 far 0 91 0 - 7.6-42.1 HA ALA 110 - HG3 LYS 19 far 0 52 0 - 7.6-53.8 HA ALA 21 - HG3 LYS 19 far 0 36 0 - 7.7-10.2 HA ALA 12 - HG2 LYS 31 far 0 92 0 - 7.9-26.4 HA ALA 21 - HG2 LYS 31 far 0 71 0 - 7.9-21.0 HA ALA 15 - HG3 LYS 36 far 0 63 0 - 8.0-30.2 HA LEU 22 - HG3 LYS 36 far 0 66 0 - 8.0-30.1 HA LYS 36 - HG3 LYS 19 far 0 52 0 - 8.1-37.0 HA GLN 61 - HG2 LYS 31 far 0 98 0 - 8.3-22.4 HA LEU 22 - HG2 LYS 31 far 0 100 0 - 8.4-19.0 HA ALA 109 - HG3 LYS 19 far 0 59 0 - 8.5-52.9 HA GLN 61 - HG3 LYS 24 far 0 90 0 - 8.6-24.5 HA GLN 61 - HG3 LYS 19 far 0 57 0 - 8.6-32.8 HA ALA 12 - HG3 LYS 24 far 0 82 0 - 8.7-22.6 HA ALA 28 - HG3 LYS 36 far 0 38 0 - 9.0-17.7 HA GLN 27 - HG3 LYS 19 far 0 39 0 - 9.1-22.4 HA GLN 61 - HG3 LYS 36 far 0 63 0 - 9.2-21.3 HA ALA 108 - HG2 LYS 31 far 0 99 0 - 9.6-32.1 HA ALA 108 - HG3 LYS 19 far 0 59 0 - 9.7-51.0 HA SER 74 - HG2 LYS 31 far 0 87 0 - 9.8-25.4 HA ALA 110 - HG3 LYS 24 far 0 83 0 - 9.8-43.9 Violated in 0 structures by 0.00 A. Peak 823 from aliabs.peaks (1.74, 1.46, 24.57 ppm; 3.79 A): 4 out of 23 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.2-3.0 2.9=100 HB2 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.2-3.0 3.0=100 HB2 LYS 26 + HG2 LYS 31 OK 23 100 25 93 3.5-15.2 1.8/989=5, 253=5...(114) HB2 LYS 19 - HG3 LYS 24 poor 17 93 25 75 3.6-16.4 3.0/822=4, 1.8/824=4...(27) HB2 LYS 19 - HG2 LYS 31 far 10 100 10 - 3.6-24.3 HB2 LYS 24 - HG3 LYS 19 far 6 61 10 - 2.7-16.0 HB2 LYS 24 - HG2 LYS 31 far 5 100 5 - 4.1-17.7 HB2 ARG 23 - HG2 LYS 31 far 5 98 5 - 3.9-18.6 HB2 LYS 26 - HG3 LYS 24 far 5 93 5 - 2.9-11.4 HB2 LYS 24 - HG3 LYS 36 far 3 67 5 - 2.7-27.9 HB2 LYS 26 - HG3 LYS 36 far 3 67 5 - 3.8-23.1 HB2 LYS 31 - HG3 LYS 36 far 3 67 5 - 4.9-12.3 HB2 LYS 31 - HG3 LYS 19 far 3 61 5 - 4.6-28.5 HB2 ARG 23 - HG3 LYS 36 far 0 63 0 - 5.4-24.8 HB2 ARG 23 - HG3 LYS 24 far 0 90 0 - 5.7-8.6 HB2 LYS 26 - HG3 LYS 19 far 0 61 0 - 6.0-24.0 HB2 LYS 31 - HG3 LYS 24 far 0 93 0 - 6.7-18.1 HB2 ARG 23 - HG3 LYS 19 far 0 57 0 - 7.5-15.3 HB2 LYS 19 - HG3 LYS 36 far 0 67 0 - 7.5-32.1 HB3 LEU 70 - HG3 LYS 36 far 0 33 0 - 9.4-16.2 HB2 LYS 39 - HG3 LYS 24 far 0 75 0 - 9.7-30.3 HB2 LYS 39 - HG3 LYS 19 far 0 45 0 - 10.0-40.7 Violated in 0 structures by 0.00 A. Peak 824 from aliabs.peaks (1.81, 1.46, 24.57 ppm; 3.47 A): 6 out of 31 assignments used, quality = 1.00: * HB3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.2-3.0 2.9=100 HB2 LYS 36 + HG3 LYS 36 OK 66 66 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HG3 LYS 19 OK 60 60 100 100 2.2-3.0 3.0=100 HB ILE 32 + HG3 LYS 36 OK 32 67 50 95 1.9-8.0 ~10810=23, ~10899=23...(41) HB3 LYS 26 + HG2 LYS 31 OK 21 100 25 85 3.6-16.1 619=5, 1.8/823=5...(92) HB3 LYS 19 - HG3 LYS 24 poor 17 92 30 60 2.0-15.5 1.8/823=4, 3.0/822=4...(24) HB3 ARG 23 - HG2 LYS 31 far 10 99 10 - 4.4-18.6 HB3 LYS 24 - HG3 LYS 19 far 6 61 10 - 3.9-16.0 HB3 LYS 24 - HG2 LYS 31 far 5 100 5 - 4.5-18.4 HB2 LYS 36 - HG2 LYS 31 far 5 100 5 - 3.7-16.4 HB3 LYS 19 - HG2 LYS 31 far 5 100 5 - 4.2-25.3 HB3 LYS 26 - HG3 LYS 24 far 5 93 5 - 3.6-11.7 HB3 LYS 24 - HG3 LYS 36 far 3 67 5 - 3.5-27.2 HB3 LYS 31 - HG3 LYS 19 far 3 61 5 - 4.5-27.7 HB3 LEU 98 - HG3 LYS 24 far 3 51 5 - 3.0-34.9 HB3 LYS 31 - HG3 LYS 24 far 0 93 0 - 5.0-17.6 HB3 LYS 26 - HG3 LYS 36 far 0 67 0 - 5.1-23.3 HB2 LYS 36 - HG3 LYS 24 far 0 92 0 - 5.5-27.7 HB3 LYS 26 - HG3 LYS 19 far 0 61 0 - 5.6-24.0 HB3 ARG 23 - HG3 LYS 36 far 0 65 0 - 5.8-24.6 HB3 LYS 31 - HG3 LYS 36 far 0 67 0 - 6.0-13.7 HB3 ARG 23 - HG3 LYS 24 far 0 92 0 - 6.1-8.0 HB ILE 32 - HG2 LYS 31 far 0 100 0 - 6.4-8.5 HB ILE 32 - HG3 LYS 24 far 0 93 0 - 6.8-18.6 HB2 CYS 79 - HG3 LYS 19 far 0 47 0 - 7.5-38.9 HB3 LEU 122 - HG3 LYS 24 far 0 68 0 - 7.8-29.5 HB3 ARG 23 - HG3 LYS 19 far 0 59 0 - 8.1-15.4 HB3 LYS 19 - HG3 LYS 36 far 0 66 0 - 8.3-32.7 HB ILE 32 - HG3 LYS 19 far 0 61 0 - 9.9-27.6 HB2 CYS 79 - HG3 LYS 36 far 0 52 0 - 9.9-19.8 Violated in 0 structures by 0.00 A. Peak 825 from aliabs.peaks (1.46, 1.46, 24.57 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 HG3 LYS 24 + HG3 LYS 24 OK 90 90 - 100 HG3 LYS 36 + HG3 LYS 36 OK 67 67 - 100 HG3 LYS 19 + HG3 LYS 19 OK 45 45 - 100 Peak 826 from aliabs.peaks (1.39, 1.46, 24.57 ppm; 2.50 A): 4 out of 54 assignments used, quality = 1.00: * HG3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 90 90 100 100 1.8-1.8 1.8=100 HG2 LYS 36 + HG3 LYS 36 OK 66 66 100 100 1.8-1.8 1.8=100 HG2 LYS 19 + HG3 LYS 19 OK 51 51 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 31 far 15 100 15 - 2.8-9.3 QB ALA 12 - HG3 LYS 19 far 5 34 15 - 2.7-16.5 QB ALA 15 - HG2 LYS 31 far 5 100 5 - 2.6-22.0 HG3 LYS 26 - HG2 LYS 31 far 5 100 5 - 3.8-16.9 QB ALA 28 - HG3 LYS 24 far 5 93 5 - 3.9-12.7 QB ALA 15 - HG3 LYS 24 far 5 93 5 - 2.8-17.3 QB ALA 108 - HG3 LYS 24 far 5 92 5 - 3.1-32.2 QB ALA 29 - HG3 LYS 24 far 5 91 5 - 3.5-13.3 HG2 LYS 19 - HG3 LYS 24 far 4 82 5 - 2.1-17.9 QB ALA 15 - HG3 LYS 19 far 3 60 5 - 2.8-13.3 QB ALA 16 - HG3 LYS 19 far 3 59 5 - 3.6-10.3 HG3 LYS 31 - HG3 LYS 36 far 0 67 0 - 4.1-14.2 HG2 LYS 24 - HG3 LYS 19 far 0 57 0 - 4.1-17.9 QB ALA 16 - HG2 LYS 31 far 0 99 0 - 4.4-24.2 HG3 LYS 26 - HG3 LYS 24 far 0 93 0 - 4.4-11.5 HG3 LYS 31 - HG3 LYS 19 far 0 61 0 - 4.5-25.5 QB ALA 29 - HG2 LYS 31 far 0 99 0 - 4.5-9.2 QB ALA 28 - HG3 LYS 19 far 0 61 0 - 4.5-20.6 QB ALA 34 - HG3 LYS 24 far 0 51 0 - 4.7-21.9 QB ALA 16 - HG3 LYS 24 far 0 92 0 - 4.9-17.0 QB ALA 12 - HG2 LYS 31 far 0 68 0 - 5.1-21.9 HG3 LYS 95 - HG3 LYS 24 far 0 93 0 - 5.2-35.5 QB ALA 34 - HG3 LYS 36 far 0 33 0 - 5.3-7.2 HG2 LYS 24 - HG3 LYS 36 far 0 63 0 - 5.4-28.0 HG2 LYS 24 - HG2 LYS 31 far 0 98 0 - 5.6-17.7 HG2 LYS 19 - HG2 LYS 31 far 0 92 0 - 5.6-25.5 HG3 LYS 31 - HG3 LYS 24 far 0 93 0 - 5.7-17.0 QB ALA 109 - HG3 LYS 19 far 0 61 0 - 6.0-42.7 HG2 LYS 36 - HG3 LYS 24 far 0 92 0 - 6.1-25.7 HG3 LYS 26 - HG3 LYS 36 far 0 66 0 - 6.2-25.2 HG2 LYS 95 - HG3 LYS 24 far 0 93 0 - 6.2-35.3 QB ALA 29 - HG3 LYS 36 far 0 65 0 - 6.2-11.9 HG2 LYS 36 - HG2 LYS 31 far 0 100 0 - 6.3-14.0 QB ALA 12 - HG3 LYS 24 far 0 59 0 - 6.4-17.3 HB2 LEU 42 - HG3 LYS 36 far 0 60 0 - 6.5-12.2 QB ALA 15 - HG3 LYS 36 far 0 66 0 - 6.7-26.8 QB ALA 16 - HG3 LYS 36 far 0 65 0 - 6.7-26.7 QB ALA 110 - HG3 LYS 19 far 0 61 0 - 7.3-45.2 QB ALA 109 - HG3 LYS 24 far 0 93 0 - 7.4-33.8 QB ALA 29 - HG3 LYS 19 far 0 59 0 - 7.7-21.6 HG3 LYS 26 - HG3 LYS 19 far 0 60 0 - 7.8-23.7 HG2 LYS 19 - HG3 LYS 36 far 0 56 0 - 8.0-34.6 QB ALA 28 - HG3 LYS 36 far 0 67 0 - 8.1-15.6 HG2 LYS 36 - HG3 LYS 19 far 0 60 0 - 8.2-34.3 QB ALA 108 - HG2 LYS 31 far 0 99 0 - 8.8-25.8 QB ALA 108 - HG3 LYS 19 far 0 59 0 - 8.8-41.7 QB ALA 34 - HG2 LYS 31 far 0 60 0 - 8.8-12.3 QB ALA 12 - HG3 LYS 36 far 0 38 0 - 8.9-25.1 QB ALA 110 - HG3 LYS 24 far 0 93 0 - 9.6-37.0 QB ALA 34 - HG3 LYS 19 far 0 30 0 - 10.0-30.4 Violated in 0 structures by 0.00 A. Peak 827 from aliabs.peaks (1.65, 1.46, 24.57 ppm; 3.24 A): 8 out of 45 assignments used, quality = 1.00: * HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 60 60 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 59 59 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HG2 LYS 31 far 10 99 10 - 4.2-17.6 HD3 LYS 24 - HG3 LYS 19 far 6 61 10 - 4.4-17.3 HD2 LYS 24 - HG3 LYS 19 far 6 59 10 - 4.4-17.3 HD2 LYS 26 - HG2 LYS 31 far 5 100 5 - 3.5-18.0 HB2 LEU 98 - HG3 LYS 24 far 4 90 5 - 3.2-36.3 HD3 LYS 19 - HG3 LYS 24 lone 4 91 25 19 2.0-17.8 3.9/823=2, 5.2/822=2, 3.9/824=2 HD3 LYS 26 - HG3 LYS 36 far 3 65 5 - 3.6-25.1 HD2 LYS 19 - HG3 LYS 24 lone 3 92 25 12 2.7-16.7 3.9/823=2, 5.2/822=2, 3.9/824=2 HD2 LYS 26 - HG3 LYS 36 far 0 66 0 - 5.1-26.0 HD2 LYS 36 - HG3 LYS 24 far 0 91 0 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 0 99 0 - 5.3-13.7 HD2 LYS 24 - HG2 LYS 31 far 0 99 0 - 5.5-17.2 HD2 LYS 24 - HG3 LYS 36 far 0 65 0 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 0 67 0 - 5.6-12.6 HD3 LYS 19 - HG2 LYS 31 far 0 99 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 100 0 - 5.7-26.4 HD2 LYS 31 - HG3 LYS 36 far 0 67 0 - 5.8-13.8 HD3 LYS 26 - HG3 LYS 24 far 0 91 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 99 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 93 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 100 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 92 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 61 0 - 6.4-26.0 HD3 LYS 24 - HG3 LYS 36 far 0 67 0 - 6.5-26.8 HD2 LYS 31 - HG3 LYS 24 far 0 93 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 61 0 - 6.8-25.5 HB2 LEU 69 - HG3 LYS 36 far 0 66 0 - 7.2-13.2 HB2 LEU 69 - HG2 LYS 31 far 0 100 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 93 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 59 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 93 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 93 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 60 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 64 0 - 8.9-32.2 HG LEU 43 - HG3 LYS 36 far 0 60 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 66 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 65 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 828 from aliabs.peaks (1.66, 1.46, 24.57 ppm; 3.24 A): 8 out of 45 assignments used, quality = 1.00: * HD3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 67 67 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 66 66 100 100 2.5-3.0 3.0=100 HD2 LYS 19 + HG3 LYS 19 OK 58 58 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HG3 LYS 19 OK 56 56 100 100 2.2-3.0 3.0=100 HD3 LYS 26 - HG2 LYS 31 far 10 100 10 - 4.2-17.6 HD2 LYS 24 - HG3 LYS 19 far 6 61 10 - 4.4-17.3 HD3 LYS 24 - HG3 LYS 19 far 6 60 10 - 4.4-17.3 HD2 LYS 26 - HG2 LYS 31 far 5 100 5 - 3.5-18.0 HB2 LEU 98 - HG3 LYS 24 far 4 86 5 - 3.2-36.3 HD3 LYS 19 - HG3 LYS 24 lone 4 89 25 19 2.0-17.8 3.9/823=2, 5.2/822=2, 3.9/824=2 HD3 LYS 26 - HG3 LYS 36 far 3 66 5 - 3.6-25.1 HD2 LYS 19 - HG3 LYS 24 lone 3 90 25 12 2.7-16.7 3.9/823=2, 5.2/822=2, 3.9/824=2 HD2 LYS 26 - HG3 LYS 36 far 0 67 0 - 5.1-26.0 HD2 LYS 36 - HG3 LYS 24 far 0 93 0 - 5.1-23.7 HD3 LYS 36 - HG2 LYS 31 far 0 100 0 - 5.3-13.7 HD2 LYS 24 - HG2 LYS 31 far 0 100 0 - 5.5-17.2 HD2 LYS 24 - HG3 LYS 36 far 0 67 0 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 0 67 0 - 5.6-12.6 HD3 LYS 19 - HG2 LYS 31 far 0 97 0 - 5.6-27.7 HD2 LYS 19 - HG2 LYS 31 far 0 99 0 - 5.7-26.4 HD2 LYS 31 - HG3 LYS 36 far 0 67 0 - 5.8-13.8 HD3 LYS 26 - HG3 LYS 24 far 0 93 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 100 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 93 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 100 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 93 0 - 6.1-24.1 HD3 LYS 31 - HG3 LYS 19 far 0 61 0 - 6.4-26.0 HD3 LYS 24 - HG3 LYS 36 far 0 66 0 - 6.5-26.8 HD2 LYS 31 - HG3 LYS 24 far 0 93 0 - 6.7-17.1 HD2 LYS 31 - HG3 LYS 19 far 0 61 0 - 6.8-25.5 HB2 LEU 69 - HG3 LYS 36 far 0 64 0 - 7.2-13.2 HB2 LEU 69 - HG2 LYS 31 far 0 99 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 93 0 - 7.8-36.0 HD3 LYS 26 - HG3 LYS 19 far 0 60 0 - 7.8-23.0 HD3 LYS 31 - HG3 LYS 24 far 0 93 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 93 0 - 8.1-36.7 HD2 LYS 26 - HG3 LYS 19 far 0 61 0 - 8.1-22.8 HD2 LYS 39 - HG3 LYS 24 far 0 70 0 - 8.9-32.2 HG LEU 43 - HG3 LYS 36 far 0 56 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 64 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 62 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 829 from aliabs.peaks (2.96, 1.46, 24.57 ppm; 4.09 A): 8 out of 43 assignments used, quality = 1.00: * HE2 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.3-4.1 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 99 99 100 100 2.1-4.2 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 92 92 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 86 86 100 100 2.2-4.2 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 67 67 100 100 2.0-4.1 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 67 67 100 100 2.2-3.5 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.3-4.0 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.3-3.8 3.8=100 HE3 LYS 26 - HG3 LYS 36 poor 17 67 25 - 4.4-26.9 HE2 LYS 19 - HG3 LYS 24 far 14 93 15 - 3.7-17.8 HE2 LYS 24 - HG3 LYS 19 poor 12 59 20 - 3.4-18.5 HE3 LYS 19 - HG3 LYS 24 poor 11 93 25 45 4.5-18.1 5.1/823=2, 6.4/822=2...(4) HE2 LYS 26 - HG2 LYS 31 far 10 100 10 - 3.8-19.7 HE3 LYS 26 - HG2 LYS 31 far 10 100 10 - 5.3-19.4 HB2 CYS 45 - HG3 LYS 36 poor 8 42 20 - 4.0-12.1 HE3 LYS 24 - HG3 LYS 19 far 8 54 15 - 4.8-19.1 HE2 LYS 26 - HG3 LYS 36 far 7 67 10 - 4.5-27.4 HE2 LYS 36 - HG2 LYS 31 far 5 100 5 - 4.9-14.4 HE3 LYS 36 - HG2 LYS 31 far 5 100 5 - 5.4-14.2 HE2 LYS 24 - HG2 LYS 31 far 5 99 5 - 3.3-18.4 HE3 LYS 24 - HG2 LYS 31 far 5 96 5 - 4.0-19.0 HE2 LYS 36 - HG3 LYS 24 far 5 93 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 5 93 5 - 4.8-25.5 HE2 LYS 31 - HG3 LYS 36 far 3 67 5 - 4.4-14.3 HE3 LYS 31 - HG3 LYS 36 far 3 65 5 - 3.7-15.5 HE2 LYS 24 - HG3 LYS 36 far 3 65 5 - 4.6-28.4 HE3 LYS 24 - HG3 LYS 36 far 0 60 0 - 6.2-28.3 HE3 LYS 26 - HG3 LYS 24 far 0 93 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 93 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 59 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 77 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 59 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 73 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 61 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 61 0 - 8.0-25.3 HE3 LYS 31 - HG3 LYS 24 far 0 92 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 93 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 61 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 64 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 61 0 - 9.6-33.4 HE2 LYS 19 - HG3 LYS 36 far 0 67 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 830 from aliabs.peaks (2.95, 1.46, 24.57 ppm; 4.09 A): 8 out of 43 assignments used, quality = 1.00: * HE3 LYS 31 + HG2 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 99 99 100 100 2.3-4.1 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 93 93 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 92 92 100 100 2.2-4.2 4.0=100 HE2 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.0-4.1 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 65 65 100 100 2.2-3.5 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.3-4.0 3.8=100 HE3 LYS 19 + HG3 LYS 19 OK 61 61 100 100 2.3-3.8 3.8=100 HE3 LYS 26 - HG3 LYS 36 poor 16 63 25 - 4.4-26.9 HE2 LYS 19 - HG3 LYS 24 far 14 93 15 - 3.7-17.8 HE2 LYS 24 - HG3 LYS 19 poor 12 61 20 - 3.4-18.5 HE3 LYS 19 - HG3 LYS 24 poor 11 93 25 45 4.5-18.1 5.1/823=2, 6.4/822=2...(4) HB2 CYS 45 - HG3 LYS 36 poor 10 52 20 - 4.0-12.1 HE2 LYS 26 - HG2 LYS 31 far 10 99 10 - 3.8-19.7 HE2 LYS 36 - HG2 LYS 31 far 10 99 10 - 4.9-14.4 HE3 LYS 26 - HG2 LYS 31 far 10 98 10 - 5.3-19.4 HE3 LYS 24 - HG3 LYS 19 far 9 59 15 - 4.8-19.1 HE2 LYS 26 - HG3 LYS 36 far 7 65 10 - 4.5-27.4 HE2 LYS 24 - HG2 LYS 31 far 5 100 5 - 3.3-18.4 HE3 LYS 24 - HG2 LYS 31 far 5 99 5 - 4.0-19.0 HE3 LYS 36 - HG2 LYS 31 far 5 99 5 - 5.4-14.2 HE2 LYS 36 - HG3 LYS 24 far 5 91 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 5 91 5 - 4.8-25.5 HE3 LYS 31 - HG3 LYS 36 far 3 67 5 - 3.7-15.5 HE2 LYS 24 - HG3 LYS 36 far 3 67 5 - 4.6-28.4 HE2 LYS 31 - HG3 LYS 36 far 3 65 5 - 4.4-14.3 HE3 LYS 24 - HG3 LYS 36 far 0 65 0 - 6.2-28.3 HE3 LYS 26 - HG3 LYS 24 far 0 90 0 - 6.5-13.4 HE2 LYS 26 - HG3 LYS 24 far 0 92 0 - 6.7-12.9 HB3 ASN 116 - HG3 LYS 24 far 0 73 0 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 64 0 - 7.1-33.6 HE3 LYS 31 - HG3 LYS 19 far 0 61 0 - 7.1-28.4 HB2 CYS 45 - HG2 LYS 31 far 0 87 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.3-26.2 HE2 LYS 31 - HG3 LYS 19 far 0 59 0 - 7.5-27.6 HE2 LYS 19 - HG2 LYS 31 far 0 100 0 - 7.9-25.9 HE2 LYS 26 - HG3 LYS 19 far 0 59 0 - 8.0-25.3 HE3 LYS 31 - HG3 LYS 24 far 0 93 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 92 0 - 8.5-17.7 HE3 LYS 26 - HG3 LYS 19 far 0 57 0 - 9.3-25.2 HB2 CYS 45 - HG3 LYS 24 far 0 77 0 - 9.4-23.6 HE3 LYS 36 - HG3 LYS 19 far 0 59 0 - 9.6-33.4 HE2 LYS 19 - HG3 LYS 36 far 0 67 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 833 from aliabs.peaks (4.27, 1.39, 24.57 ppm; 3.59 A): 9 out of 82 assignments used, quality = 1.00: HA LYS 26 + HG3 LYS 26 OK 98 99 100 99 2.6-3.9 4.0=70, 2.9/6253=49...(31) * HA LYS 31 + HG3 LYS 31 OK 98 100 100 98 2.0-4.2 3.8=84, 3.0/6334=25...(22) HA LYS 19 + HG2 LYS 19 OK 75 77 100 98 2.3-3.7 4.2=64, 3.0/6151=39...(42) HA LYS 36 + HG2 LYS 36 OK 55 56 100 99 2.3-3.8 4.1=66, 3.0/6394=54...(32) HA THR 25 + HG3 LYS 26 OK 43 80 60 88 3.0-7.7 3.6/6253=42, 11150=25...(23) HA THR 18 + HG2 LYS 19 OK 37 70 60 88 4.0-7.3 226/6151=38, 10686=31...(18) HA THR 25 + HG2 LYS 24 OK 31 73 45 95 3.0-6.9 3.0/6234=40...(28) HA ARG 23 + HG2 LYS 24 OK 24 90 35 76 4.1-6.9 424/6222=59...(12) HA LYS 19 + HG2 LYS 24 OK 21 93 35 64 2.2-15.3 598=5, 822/1.8=5, ~281=2...(47) HA LYS 31 - HG3 LYS 26 poor 20 99 20 - 4.5-16.0 HA LYS 26 - HG3 LYS 31 poor 19 100 25 75 2.3-14.5 822/1.8=5, 790/3.0=5...(43) HA GLN 27 - HG3 LYS 26 poor 18 74 25 - 2.8-6.8 HA ALA 21 - HG2 LYS 24 poor 15 61 25 - 2.3-10.7 HA ALA 15 - HG2 LYS 19 poor 14 72 20 - 2.8-13.4 HA LEU 22 - HG2 LYS 24 poor 14 92 40 38 2.7-8.4 6212/6222=12...(9) HA THR 25 - HG3 LYS 31 far 12 83 15 - 3.6-15.1 HA ARG 23 - HG3 LYS 26 poor 10 97 30 35 2.4-10.6 462/10729=7, 6240/522=4...(6) HA ALA 16 - HG3 LYS 31 far 10 99 10 - 5.0-27.2 HA LYS 36 - HG3 LYS 26 far 9 91 10 - 4.9-27.4 HA ARG 23 - HG3 LYS 31 far 5 99 5 - 5.1-16.2 HA ALA 15 - HG3 LYS 31 far 5 98 5 - 5.0-26.0 HA THR 18 - HG3 LYS 31 far 5 97 5 - 3.2-23.1 HA GLN 61 - HG3 LYS 26 far 5 96 5 - 2.5-25.1 HA LYS 26 - HG2 LYS 24 far 5 93 5 - 4.2-10.1 HA THR 18 - HG2 LYS 24 far 4 87 5 - 3.6-15.8 HA LYS 31 - HG2 LYS 19 far 4 77 5 - 4.9-26.6 HA ALA 16 - HG2 LYS 19 far 4 75 5 - 4.7-10.8 HA THR 18 - HG2 LYS 36 far 3 59 5 - 4.1-34.5 HA ALA 21 - HG2 LYS 36 far 2 39 5 - 4.7-28.9 HA ALA 28 - HG3 LYS 31 far 0 68 0 - 5.2-11.0 HA ALA 12 - HG2 LYS 19 far 0 65 0 - 5.5-18.1 HA LYS 19 - HG3 LYS 31 far 0 100 0 - 5.5-23.5 HA ALA 28 - HG3 LYS 26 far 0 66 0 - 5.7-9.0 HA GLN 27 - HG2 LYS 36 far 0 42 0 - 5.8-19.4 HA ALA 108 - HG2 LYS 24 far 0 91 0 - 5.9-39.9 HA LYS 36 - HG3 LYS 31 far 0 93 0 - 5.9-16.7 HA ALA 109 - HG3 LYS 26 far 0 98 0 - 6.0-34.4 HA GLN 27 - HG2 LYS 24 far 0 66 0 - 6.0-12.9 HA LYS 26 - HG2 LYS 19 far 0 76 0 - 6.3-22.3 HA ALA 15 - HG2 LYS 24 far 0 90 0 - 6.3-22.5 HA LEU 22 - HG2 LYS 19 far 0 75 0 - 6.4-12.3 HA ARG 23 - HG2 LYS 19 far 0 73 0 - 6.4-16.2 HA LYS 19 - HG2 LYS 36 far 0 65 0 - 6.5-33.1 HA LEU 22 - HG3 LYS 26 far 0 98 0 - 6.5-13.0 HA THR 25 - HG2 LYS 19 far 0 57 0 - 6.5-20.7 HA ALA 16 - HG2 LYS 36 far 0 63 0 - 6.5-33.7 HA ALA 110 - HG2 LYS 19 far 0 66 0 - 6.6-54.1 HA LYS 31 - HG2 LYS 24 far 0 93 0 - 6.7-19.6 HA GLN 27 - HG3 LYS 31 far 0 76 0 - 6.7-11.3 HA GLN 61 - HG2 LYS 24 far 0 90 0 - 6.9-23.9 HA ALA 28 - HG2 LYS 24 far 0 59 0 - 7.0-12.9 HA LYS 36 - HG2 LYS 24 far 0 83 0 - 7.0-29.4 HA ALA 109 - HG2 LYS 24 far 0 91 0 - 7.0-42.1 HA ALA 21 - HG2 LYS 19 far 0 47 0 - 7.0-10.1 HA LYS 31 - HG2 LYS 36 far 0 65 0 - 7.1-11.7 HA ALA 12 - HG3 LYS 31 far 0 92 0 - 7.2-27.9 HA THR 25 - HG2 LYS 36 far 0 47 0 - 7.3-23.3 HA LYS 26 - HG2 LYS 36 far 0 65 0 - 7.4-22.3 HA LYS 36 - HG2 LYS 19 far 0 66 0 - 7.5-37.3 HA ALA 108 - HG3 LYS 26 far 0 98 0 - 7.5-32.5 HA GLN 61 - HG3 LYS 31 far 0 98 0 - 7.6-22.6 HA ALA 15 - HG3 LYS 26 far 0 96 0 - 7.7-25.9 HA ALA 110 - HG3 LYS 26 far 0 91 0 - 7.7-35.7 HA LEU 22 - HG3 LYS 31 far 0 100 0 - 7.8-18.5 HA ALA 28 - HG2 LYS 19 far 0 45 0 - 7.8-23.6 HA ALA 21 - HG3 LYS 26 far 0 69 0 - 7.8-15.9 HA ALA 108 - HG3 LYS 31 far 0 99 0 - 7.9-31.1 HA ALA 109 - HG2 LYS 19 far 0 74 0 - 7.9-53.1 HA LYS 19 - HG3 LYS 26 far 0 99 0 - 8.0-21.2 HA ALA 15 - HG2 LYS 36 far 0 61 0 - 8.0-30.5 HA ALA 16 - HG2 LYS 24 far 0 92 0 - 8.0-20.4 HA ALA 12 - HG2 LYS 24 far 0 82 0 - 8.0-22.3 HA ARG 23 - HG2 LYS 36 far 0 62 0 - 8.2-26.0 HA SER 74 - HG3 LYS 31 far 0 87 0 - 8.3-24.6 HA ALA 21 - HG3 LYS 31 far 0 71 0 - 8.3-20.2 HA LEU 22 - HG2 LYS 36 far 0 64 0 - 9.0-29.7 HA GLN 61 - HG2 LYS 19 far 0 72 0 - 9.1-33.2 HA GLN 61 - HG2 LYS 36 far 0 61 0 - 9.6-21.9 HA ALA 108 - HG2 LYS 19 far 0 74 0 - 9.6-51.1 HA GLN 27 - HG2 LYS 19 far 0 51 0 - 9.7-23.1 HA ALA 110 - HG2 LYS 24 far 0 83 0 - 9.8-43.7 HA ALA 16 - HG3 LYS 26 far 0 98 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 834 from aliabs.peaks (1.74, 1.39, 24.57 ppm; 3.63 A): 6 out of 28 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HB2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.2-3.0 2.9=100 HB2 LYS 19 + HG2 LYS 19 OK 77 77 100 100 2.3-3.0 3.0=100 HB2 LYS 31 + HG3 LYS 26 OK 36 99 40 91 2.0-14.6 804=9, 628/1.8=7...(78) HB2 LYS 26 + HG3 LYS 31 OK 23 100 25 91 3.1-14.0 823/1.8=5, 1.8/620=4...(104) HB2 ARG 23 - HG3 LYS 26 poor 19 96 20 - 3.9-12.1 HB2 LYS 19 - HG2 LYS 24 poor 19 93 20 - 3.7-16.8 HB2 LYS 24 - HG2 LYS 19 poor 15 77 20 - 3.4-16.9 HB2 LYS 19 - HG3 LYS 31 far 10 100 10 - 2.7-23.1 HB2 LYS 24 - HG3 LYS 31 far 10 100 10 - 3.7-17.1 HB2 ARG 23 - HG3 LYS 31 far 10 98 10 - 4.2-17.9 HB2 LYS 26 - HG2 LYS 24 far 5 93 5 - 2.2-11.2 HB2 ARG 23 - HG2 LYS 24 far 4 90 5 - 4.4-8.4 HB2 LYS 24 - HG2 LYS 36 far 3 65 5 - 4.2-27.3 HB2 LYS 31 - HG2 LYS 19 far 0 77 0 - 5.2-27.3 HB2 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.4-11.1 HB2 LYS 26 - HG2 LYS 36 far 0 65 0 - 5.5-22.8 HB2 LYS 31 - HG2 LYS 24 far 0 93 0 - 5.6-19.7 HB2 LYS 19 - HG3 LYS 26 far 0 99 0 - 6.0-22.5 HB2 LYS 26 - HG2 LYS 19 far 0 76 0 - 6.4-24.5 HB2 LYS 31 - HG2 LYS 36 far 0 65 0 - 6.5-12.1 HB2 ARG 23 - HG2 LYS 36 far 0 61 0 - 6.8-24.5 HB2 LYS 19 - HG2 LYS 36 far 0 65 0 - 7.3-32.2 HB2 ARG 23 - HG2 LYS 19 far 0 72 0 - 7.6-15.2 HB2 LYS 39 - HG2 LYS 24 far 0 75 0 - 8.0-31.6 HB3 LEU 70 - HG2 LYS 36 far 0 32 0 - 8.9-15.5 HB2 LYS 39 - HG2 LYS 36 far 0 48 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 835 from aliabs.peaks (1.81, 1.39, 24.57 ppm; 3.38 A): 7 out of 40 assignments used, quality = 1.00: * HB3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.3-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.3-3.0 2.9=100 HB3 LYS 19 + HG2 LYS 19 OK 75 75 100 100 2.5-3.0 3.0=100 HB2 LYS 36 + HG2 LYS 36 OK 64 64 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG3 LYS 26 OK 31 99 40 77 2.2-16.3 1.8/639=6, 815=6...(58) HB3 LYS 26 + HG3 LYS 31 OK 25 100 30 84 3.3-14.9 620=5, 989/1.8=4...(93) HB ILE 32 - HG2 LYS 36 poor 19 65 30 - 3.5-7.7 HB3 LYS 19 - HG2 LYS 24 poor 18 92 20 - 2.0-15.9 HB3 ARG 23 - HG3 LYS 26 far 15 98 15 - 2.7-12.0 HB ILE 32 - HG3 LYS 31 far 10 100 10 - 4.7-8.2 HB3 ARG 23 - HG3 LYS 31 far 10 99 10 - 4.3-17.8 HB ILE 32 - HG3 LYS 26 far 10 99 10 - 3.9-17.4 HB3 LYS 24 - HG2 LYS 19 far 8 76 10 - 3.4-16.0 HB3 LYS 24 - HG3 LYS 31 far 5 100 5 - 4.8-17.7 HB3 LYS 19 - HG3 LYS 31 far 5 100 5 - 3.7-24.3 HB2 LYS 36 - HG3 LYS 31 far 5 100 5 - 3.8-16.2 HB2 LYS 36 - HG3 LYS 26 far 5 98 5 - 4.6-27.1 HB3 LYS 26 - HG2 LYS 24 far 5 93 5 - 2.9-11.3 HB3 LYS 31 - HG2 LYS 19 far 4 77 5 - 4.7-26.5 HB3 LYS 24 - HG2 LYS 36 far 3 65 5 - 4.9-26.5 HB3 LEU 98 - HG2 LYS 24 far 3 51 5 - 4.6-35.1 HB3 LYS 31 - HG2 LYS 24 far 0 93 0 - 5.1-19.1 HB3 ARG 23 - HG2 LYS 24 far 0 92 0 - 5.3-7.8 HB3 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.4-11.5 HB2 LYS 36 - HG2 LYS 24 far 0 92 0 - 5.6-29.5 HB3 LYS 26 - HG2 LYS 19 far 0 76 0 - 6.0-24.6 HB3 ARG 23 - HG2 LYS 36 far 0 63 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 64 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 98 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 93 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 65 0 - 7.5-13.3 HB3 LYS 19 - HG2 LYS 36 far 0 64 0 - 8.2-32.7 HB3 ARG 23 - HG2 LYS 19 far 0 75 0 - 8.4-16.3 HB3 LEU 98 - HG3 LYS 26 far 0 58 0 - 8.5-28.4 HB2 CYS 79 - HG2 LYS 36 far 0 50 0 - 8.7-18.1 HB2 CYS 79 - HG2 LYS 19 far 0 60 0 - 8.9-38.4 HB3 LEU 122 - HG2 LYS 24 far 0 68 0 - 9.0-29.6 HB2 LYS 36 - HG2 LYS 19 far 0 75 0 - 9.5-36.6 HB3 LEU 103 - HG3 LYS 26 far 0 83 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 836 from aliabs.peaks (1.46, 1.39, 24.57 ppm; 2.50 A): 5 out of 34 assignments used, quality = 1.00: * HG2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 90 90 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 LYS 36 + HG2 LYS 36 OK 65 65 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 58 58 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 26 far 6 61 10 - 2.6-15.5 HG2 LYS 31 - HG3 LYS 26 far 5 99 5 - 3.8-16.9 HG3 LYS 24 - HG2 LYS 19 far 4 72 5 - 2.1-17.9 HG13 ILE 32 - HG3 LYS 31 far 3 63 5 - 3.5-8.4 HG3 LYS 36 - HG3 LYS 31 far 0 100 0 - 4.1-14.2 HG3 LYS 19 - HG2 LYS 24 far 0 75 0 - 4.1-17.9 HG3 LYS 24 - HG3 LYS 26 far 0 96 0 - 4.4-11.5 HG3 LYS 19 - HG3 LYS 31 far 0 85 0 - 4.5-25.5 HG2 LYS 26 - HG3 LYS 31 far 0 68 0 - 4.7-16.4 HG2 LYS 26 - HG2 LYS 24 far 0 59 0 - 4.7-11.2 HG3 LYS 36 - HG2 LYS 24 far 0 93 0 - 5.4-28.0 HG13 ILE 32 - HG2 LYS 36 far 0 34 0 - 5.5-9.7 HG2 LYS 31 - HG2 LYS 24 far 0 93 0 - 5.6-17.7 HG2 LYS 31 - HG2 LYS 19 far 0 77 0 - 5.6-25.5 HG3 LYS 24 - HG3 LYS 31 far 0 98 0 - 5.7-17.0 HG3 LYS 24 - HG2 LYS 36 far 0 61 0 - 6.1-25.7 QB ALA 52 - HG3 LYS 26 far 0 74 0 - 6.1-22.8 HG3 LYS 36 - HG3 LYS 26 far 0 99 0 - 6.2-25.2 HG2 LYS 31 - HG2 LYS 36 far 0 65 0 - 6.3-14.0 HG2 LYS 26 - HG2 LYS 36 far 0 37 0 - 6.3-25.0 QB ALA 52 - HG2 LYS 24 far 0 66 0 - 6.5-23.2 HG13 ILE 32 - HG2 LYS 24 far 0 54 0 - 7.5-18.3 HG3 LYS 19 - HG3 LYS 26 far 0 83 0 - 7.8-23.7 QB ALA 52 - HG2 LYS 19 far 0 51 0 - 7.9-29.5 HG3 LYS 36 - HG2 LYS 19 far 0 76 0 - 8.0-34.6 HG3 LYS 19 - HG2 LYS 36 far 0 48 0 - 8.2-34.3 QB ALA 52 - HG3 LYS 31 far 0 76 0 - 8.5-22.6 HG2 LYS 26 - HG2 LYS 19 far 0 45 0 - 8.7-25.7 HG13 ILE 32 - HG2 LYS 19 far 0 41 0 - 8.9-25.0 Violated in 0 structures by 0.00 A. Peak 837 from aliabs.peaks (1.39, 1.39, 24.57 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 HG3 LYS 26 + HG3 LYS 26 OK 99 99 - 100 HG2 LYS 24 + HG2 LYS 24 OK 90 90 - 100 HG2 LYS 19 + HG2 LYS 19 OK 65 65 - 100 HG2 LYS 36 + HG2 LYS 36 OK 64 64 - 100 Peak 838 from aliabs.peaks (1.65, 1.39, 24.57 ppm; 3.36 A): 10 out of 58 assignments used, quality = 1.00: * HD2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 75 75 100 100 2.5-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 74 74 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 63 63 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 62 62 100 100 2.3-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 26 far 15 99 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 14 92 15 - 3.2-16.1 HD3 LYS 19 - HG2 LYS 24 far 14 91 15 - 2.1-17.8 HD3 LYS 24 - HG2 LYS 19 far 11 76 15 - 2.7-16.9 HD2 LYS 24 - HG2 LYS 19 far 11 75 15 - 3.0-17.8 HD2 LYS 26 - HG3 LYS 31 far 10 100 10 - 4.8-17.0 HD2 LYS 19 - HG3 LYS 31 far 5 100 5 - 4.6-25.3 HD2 LYS 31 - HG3 LYS 26 far 5 99 5 - 3.6-15.7 HD3 LYS 36 - HG3 LYS 31 far 5 99 5 - 4.6-13.4 HD3 LYS 26 - HG3 LYS 31 far 5 99 5 - 3.0-16.8 HD3 LYS 24 - HG3 LYS 26 far 5 99 5 - 3.7-11.0 HD3 LYS 19 - HG3 LYS 31 far 5 99 5 - 4.1-26.6 HD2 LYS 36 - HG3 LYS 31 far 5 99 5 - 4.8-13.4 HD2 LYS 36 - HG3 LYS 26 far 5 98 5 - 4.8-22.9 HB2 LEU 98 - HG2 LYS 24 far 0 90 0 - 4.9-36.4 HD3 LYS 26 - HG2 LYS 36 far 0 62 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 91 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 91 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 98 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 93 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 64 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 98 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 99 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 65 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 92 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 64 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 96 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 63 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 93 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 93 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 64 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 64 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 76 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 74 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 100 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 65 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 93 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 76 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 93 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 58 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 98 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 64 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 96 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 75 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 71 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 839 from aliabs.peaks (1.66, 1.39, 24.57 ppm; 3.36 A): 10 out of 58 assignments used, quality = 1.00: * HD3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.2-2.9 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 73 73 100 100 2.5-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 71 71 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 64 64 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 64 64 100 100 2.3-3.0 3.0=100 HD3 LYS 31 - HG3 LYS 26 far 15 99 15 - 3.4-15.4 HD2 LYS 19 - HG2 LYS 24 far 14 90 15 - 3.2-16.1 HD3 LYS 19 - HG2 LYS 24 far 13 89 15 - 2.1-17.8 HD2 LYS 24 - HG2 LYS 19 far 11 76 15 - 3.0-17.8 HD3 LYS 24 - HG2 LYS 19 far 11 75 15 - 2.7-16.9 HD2 LYS 26 - HG3 LYS 31 far 10 100 10 - 4.8-17.0 HD3 LYS 26 - HG3 LYS 31 far 5 100 5 - 3.0-16.8 HD3 LYS 36 - HG3 LYS 31 far 5 100 5 - 4.6-13.4 HD2 LYS 36 - HG3 LYS 31 far 5 100 5 - 4.8-13.4 HD2 LYS 31 - HG3 LYS 26 far 5 99 5 - 3.6-15.7 HD2 LYS 36 - HG3 LYS 26 far 5 99 5 - 4.8-22.9 HD3 LYS 24 - HG3 LYS 26 far 5 98 5 - 3.7-11.0 HD2 LYS 19 - HG3 LYS 31 far 5 99 5 - 4.6-25.3 HD3 LYS 19 - HG3 LYS 31 far 5 97 5 - 4.1-26.6 HB2 LEU 98 - HG2 LYS 24 far 0 86 0 - 4.9-36.4 HD3 LYS 26 - HG2 LYS 36 far 0 64 0 - 5.1-24.7 HD3 LYS 26 - HG2 LYS 24 far 0 93 0 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 0 93 0 - 5.3-25.5 HD2 LYS 24 - HG3 LYS 26 far 0 99 0 - 5.3-11.0 HD2 LYS 26 - HG2 LYS 24 far 0 93 0 - 5.8-11.1 HD2 LYS 26 - HG2 LYS 36 far 0 65 0 - 5.9-25.5 HD3 LYS 24 - HG3 LYS 31 far 0 100 0 - 5.9-16.5 HD3 LYS 36 - HG3 LYS 26 far 0 99 0 - 5.9-23.8 HD2 LYS 24 - HG3 LYS 31 far 0 100 0 - 6.0-16.9 HD2 LYS 31 - HG2 LYS 36 far 0 64 0 - 6.2-13.5 HD3 LYS 36 - HG2 LYS 24 far 0 93 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 65 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 94 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 64 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 76 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 93 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 93 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 62 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 70 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 76 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 99 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 64 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 93 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 77 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 93 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 54 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 96 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 97 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 62 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 92 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 76 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 68 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 840 from aliabs.peaks (2.96, 1.39, 24.57 ppm; 4.08 A): 10 out of 53 assignments used, quality = 1.00: * HE2 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.4-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 99 99 100 100 2.1-4.1 3.6=100 HE2 LYS 24 + HG2 LYS 24 OK 92 92 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 86 86 100 100 2.1-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.3-3.2 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 65 65 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 65 65 100 100 2.6-4.2 4.0=100 HE2 LYS 36 - HG3 LYS 31 far 15 100 15 - 4.3-14.3 HE3 LYS 36 - HG3 LYS 31 far 15 100 15 - 4.5-14.3 HE3 LYS 26 - HG3 LYS 31 far 15 100 15 - 4.8-18.3 HE2 LYS 24 - HG2 LYS 19 poor 15 75 20 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 14 69 20 - 3.9-19.3 HE2 LYS 26 - HG3 LYS 31 far 10 100 10 - 4.3-18.5 HE3 LYS 36 - HG3 LYS 26 far 10 99 10 - 4.4-24.9 HE2 LYS 36 - HG3 LYS 26 far 10 99 10 - 4.6-24.5 HE2 LYS 31 - HG3 LYS 26 far 10 99 10 - 5.0-15.0 HE3 LYS 19 - HG2 LYS 24 far 9 93 10 - 3.6-18.0 HE2 LYS 19 - HG2 LYS 24 far 9 93 10 - 4.3-16.8 HB2 CYS 45 - HG2 LYS 36 poor 8 40 20 - 4.8-12.0 HE2 LYS 26 - HG2 LYS 36 far 6 65 10 - 5.0-27.0 HE3 LYS 26 - HG2 LYS 36 far 6 64 10 - 5.1-26.6 HE2 LYS 24 - HG3 LYS 31 far 5 99 5 - 4.1-18.0 HE2 LYS 24 - HG3 LYS 26 far 5 98 5 - 5.0-12.3 HE3 LYS 24 - HG3 LYS 31 far 5 96 5 - 5.2-18.7 HE2 LYS 36 - HG2 LYS 24 far 5 93 5 - 4.2-26.3 HE3 LYS 24 - HG3 LYS 26 far 5 94 5 - 5.5-12.7 HE3 LYS 26 - HG2 LYS 24 far 5 93 5 - 5.4-12.1 HE2 LYS 31 - HG2 LYS 36 far 3 65 5 - 5.3-13.7 HE3 LYS 31 - HG2 LYS 36 far 3 63 5 - 5.1-14.9 HE3 LYS 36 - HG2 LYS 24 far 0 93 0 - 5.7-27.3 HE3 LYS 31 - HG3 LYS 26 far 0 98 0 - 5.8-14.5 HE2 LYS 26 - HG2 LYS 24 far 0 93 0 - 5.9-12.0 HB3 ASN 116 - HG2 LYS 24 far 0 59 0 - 5.9-34.7 HE2 LYS 24 - HG2 LYS 36 far 0 63 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.4-26.3 HE3 LYS 31 - HG2 LYS 19 far 0 75 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 92 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 77 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 77 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 93 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 71 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 58 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 73 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 64 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 77 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 77 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 64 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 49 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 64 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 841 from aliabs.peaks (2.95, 1.39, 24.57 ppm; 4.08 A): 10 out of 53 assignments used, quality = 1.00: * HE3 LYS 31 + HG3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HE2 LYS 31 + HG3 LYS 31 OK 99 99 100 100 2.4-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 98 98 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 96 96 100 100 2.1-4.1 3.6=100 HE2 LYS 24 + HG2 LYS 24 OK 93 93 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 92 92 100 100 2.1-4.2 4.0=100 HE3 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 76 76 100 100 2.3-3.2 3.8=100 HE3 LYS 36 + HG2 LYS 36 OK 62 62 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 62 62 100 100 2.6-4.2 4.0=100 HE2 LYS 24 - HG2 LYS 19 poor 15 77 20 - 2.9-18.6 HE3 LYS 24 - HG2 LYS 19 poor 15 75 20 - 3.9-19.3 HE2 LYS 36 - HG3 LYS 31 far 15 99 15 - 4.3-14.3 HE3 LYS 36 - HG3 LYS 31 far 15 99 15 - 4.5-14.3 HE3 LYS 26 - HG3 LYS 31 far 15 98 15 - 4.8-18.3 HB2 CYS 45 - HG2 LYS 36 poor 10 50 20 - 4.8-12.0 HE2 LYS 26 - HG3 LYS 31 far 10 99 10 - 4.3-18.5 HE2 LYS 31 - HG3 LYS 26 far 10 98 10 - 5.0-15.0 HE3 LYS 36 - HG3 LYS 26 far 10 98 10 - 4.4-24.9 HE2 LYS 36 - HG3 LYS 26 far 10 98 10 - 4.6-24.5 HE3 LYS 19 - HG2 LYS 24 far 9 93 10 - 3.6-18.0 HE2 LYS 19 - HG2 LYS 24 far 9 93 10 - 4.3-16.8 HE2 LYS 26 - HG2 LYS 36 far 6 63 10 - 5.0-27.0 HE3 LYS 26 - HG2 LYS 36 far 6 61 10 - 5.1-26.6 HE2 LYS 24 - HG3 LYS 31 far 5 100 5 - 4.1-18.0 HE3 LYS 24 - HG3 LYS 31 far 5 99 5 - 5.2-18.7 HE2 LYS 24 - HG3 LYS 26 far 5 99 5 - 5.0-12.3 HE3 LYS 24 - HG3 LYS 26 far 5 98 5 - 5.5-12.7 HE2 LYS 36 - HG2 LYS 24 far 5 91 5 - 4.2-26.3 HE3 LYS 26 - HG2 LYS 24 far 4 90 5 - 5.4-12.1 HE3 LYS 31 - HG2 LYS 36 far 3 65 5 - 5.1-14.9 HE2 LYS 31 - HG2 LYS 36 far 3 63 5 - 5.3-13.7 HE3 LYS 36 - HG2 LYS 24 far 0 91 0 - 5.7-27.3 HE3 LYS 31 - HG3 LYS 26 far 0 99 0 - 5.8-14.5 HE2 LYS 26 - HG2 LYS 24 far 0 92 0 - 5.9-12.0 HB3 ASN 116 - HG2 LYS 24 far 0 73 0 - 5.9-34.7 HE2 LYS 24 - HG2 LYS 36 far 0 65 0 - 6.3-27.7 HE3 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.4-26.3 HE3 LYS 31 - HG2 LYS 19 far 0 77 0 - 6.5-27.2 HE2 LYS 19 - HG3 LYS 31 far 0 100 0 - 6.7-25.4 HE3 LYS 31 - HG2 LYS 24 far 0 93 0 - 6.8-19.4 HE2 LYS 31 - HG2 LYS 19 far 0 75 0 - 7.3-26.4 HB3 ASN 121 - HG2 LYS 24 far 0 64 0 - 7.3-33.8 HE2 LYS 31 - HG2 LYS 24 far 0 92 0 - 7.5-19.4 HB2 CYS 45 - HG3 LYS 26 far 0 85 0 - 7.7-25.0 HE3 LYS 24 - HG2 LYS 36 far 0 63 0 - 8.0-27.5 HB2 CYS 45 - HG3 LYS 31 far 0 87 0 - 8.0-19.3 HB2 CYS 45 - HG2 LYS 24 far 0 77 0 - 8.1-24.2 HE3 LYS 36 - HG2 LYS 19 far 0 74 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 75 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 64 0 - 8.9-36.8 HE2 LYS 39 - HG2 LYS 24 far 0 64 0 - 9.3-33.8 HE3 LYS 19 - HG2 LYS 36 far 0 64 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 844 from aliabs.peaks (4.27, 1.65, 28.90 ppm; 6.80 A): 32 out of 174 assignments used, quality = 1.00: * HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-5.4 5.2=100 HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.9 5.2=100 HA LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.1-5.4 5.0=100 HA LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.1-5.1 5.0=100 HA LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.0-4.5 5.2=100 HA LYS 36 + HD3 LYS 36 OK 82 82 100 100 3.0-5.3 5.3=100 HA LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.0-4.8 5.2=100 HA ARG 23 + HD2 LYS 24 OK 81 89 95 96 3.9-8.4 424/5.9=84, ~821=16...(24) HA LYS 36 + HD2 LYS 36 OK 80 80 100 100 3.5-5.3 5.3=100 HA ARG 23 + HD3 LYS 24 OK 80 92 90 96 3.5-8.6 424/5.9=84, ~821=16...(26) HA THR 18 + HD2 LYS 19 OK 78 78 100 100 2.6-7.9 226/6.2=80, 10686/3.0=68...(16) HA THR 25 + HD3 LYS 26 OK 77 77 100 100 4.5-8.0 582/5.7=69, 11128/3.5=33...(22) HA THR 25 + HD2 LYS 26 OK 76 81 95 99 3.7-8.6 582/5.7=69, 11128/3.5=33...(22) HA THR 18 + HD3 LYS 19 OK 75 75 100 100 4.3-7.5 226/6.2=80, 10686/3.0=68...(16) HA THR 25 + HD3 LYS 24 OK 74 75 100 100 3.3-8.1 ~6234=60, ~6235=47...(26) HA GLN 27 + HD2 LYS 26 OK 74 74 100 100 4.9-7.8 ~6264=55, 3.0/6267=45...(27) HA THR 25 + HD2 LYS 24 OK 71 71 100 100 2.7-7.9 ~6234=60, ~6235=47...(26) HA GLN 27 + HD3 LYS 26 OK 70 70 100 100 4.8-8.0 ~6264=55, 3.0/6267=44...(27) HA LYS 26 + HD2 LYS 31 OK 60 100 60 100 2.5-14.0 790/3.5=10, 822/2.9=8...(207) HA LYS 26 + HD3 LYS 31 OK 60 100 60 100 4.2-13.7 790/3.5=10, 822/2.9=8...(225) HA LYS 31 + HD3 LYS 26 OK 58 97 60 100 4.2-17.5 3.0/6336=10, ~821=9...(243) HA ARG 23 + HD2 LYS 26 OK 57 97 70 83 3.1-12.9 6240/6237=6, 424/5.7=5...(98) HA LYS 31 + HD2 LYS 26 OK 55 99 55 100 4.7-17.2 3.0/6336=10, 6342/6348=9...(246) HA ARG 23 + HD3 LYS 26 OK 50 94 60 88 3.6-13.1 4.9/11449=22...(92) HA LEU 22 + HD2 LYS 24 OK 50 91 80 68 2.8-10.2 11967/3.0=22...(13) HA LEU 22 + HD3 LYS 24 OK 48 94 75 68 3.9-9.9 11967/3.0=22...(13) HA LYS 19 + HD3 LYS 24 OK 47 95 50 99 2.2-14.1 822/3.0=7, ~281=6...(181) HA LYS 19 + HD2 LYS 24 OK 41 92 45 99 3.3-14.3 822/3.0=7, ~281=6...(213) HA LYS 31 + HD3 LYS 36 OK 24 92 50 53 5.5-11.8 6342/6347=13...(9) HA LYS 36 + HD2 LYS 26 OK 23 92 30 84 4.9-28.2 ~1004=10, ~1003=10...(66) HA LYS 36 + HD3 LYS 26 OK 22 88 30 83 5.8-27.5 ~1004=10, ~1003=10...(65) HA LYS 31 + HD2 LYS 36 OK 21 90 45 53 4.5-11.5 6342/6347=13...(9) HA LEU 22 - HD2 LYS 26 poor 20 99 20 - 5.5-15.0 HA ARG 23 - HD2 LYS 31 poor 20 99 20 - 5.6-16.4 HA ARG 23 - HD3 LYS 31 poor 20 98 20 - 6.2-17.8 HA ALA 15 - HD3 LYS 31 poor 19 97 20 - 5.3-25.6 HA LEU 22 - HD3 LYS 26 poor 19 96 20 - 6.5-14.0 HA ALA 28 - HD3 LYS 31 poor 19 67 35 80 5.2-12.0 ~10771=42, 3.0/10771=40...(23) HA LYS 26 - HD3 LYS 24 poor 19 95 40 49 4.6-10.7 2.9/6255=7, ~6255=6...(19) HA ALA 28 - HD2 LYS 31 poor 17 68 30 81 4.6-12.8 3.0/10771=50, ~10771=35...(22) HA ALA 16 - HD2 LYS 19 poor 16 82 20 - 6.3-13.4 HA ALA 16 - HD3 LYS 19 poor 16 79 20 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 poor 16 53 30 - 6.7-11.4 HA ARG 23 - HD3 LYS 19 poor 16 78 20 - 6.1-16.1 HA THR 25 - HD3 LYS 19 poor 15 61 25 - 5.3-20.4 HA ALA 16 - HD3 LYS 31 far 15 99 15 - 6.3-29.1 HA GLN 61 - HD3 LYS 31 far 15 97 15 - 6.0-23.4 HA GLN 27 - HD2 LYS 31 poor 14 76 35 55 4.9-12.0 3.6/10771=47, 3.0/6266=5, ~648=1 HA THR 18 - HD3 LYS 31 far 14 96 15 - 4.8-24.1 HA LYS 26 - HD2 LYS 24 poor 14 92 30 50 6.0-10.6 2.9/6255=8, ~6255=6...(19) HA ARG 23 - HD2 LYS 36 far 13 87 15 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 13 85 15 - 7.6-27.9 HA THR 25 - HD2 LYS 19 poor 13 63 20 - 4.9-18.6 HA GLN 27 - HD2 LYS 36 poor 13 63 20 - 5.6-17.4 HA LEU 22 - HD3 LYS 19 far 12 80 15 - 6.5-12.8 HA GLN 27 - HD3 LYS 31 poor 11 75 30 49 5.8-11.4 3.6/10771=38, ~6266=4...(8) HA THR 25 - HD3 LYS 36 far 11 71 15 - 5.9-22.2 HA THR 25 - HD2 LYS 36 far 10 69 15 - 4.6-21.6 HA LYS 19 - HD2 LYS 31 far 10 100 10 - 7.8-23.5 HA ALA 28 - HD2 LYS 26 far 10 66 15 - 4.8-10.6 HA ALA 16 - HD2 LYS 31 far 10 99 10 - 4.9-27.6 HA LYS 19 - HD2 LYS 26 far 10 99 10 - 7.7-20.2 HA ALA 15 - HD2 LYS 31 far 10 98 10 - 5.7-24.6 HA GLN 61 - HD2 LYS 31 far 10 98 10 - 6.6-24.1 HA ALA 109 - HD2 LYS 26 far 10 98 10 - 6.1-34.6 HA GLN 61 - HD2 LYS 26 far 10 97 10 - 4.2-27.0 HA THR 18 - HD2 LYS 31 far 10 97 10 - 4.8-23.0 HA GLN 27 - HD3 LYS 36 far 10 64 15 - 4.1-18.3 HA ALA 109 - HD3 LYS 26 far 9 95 10 - 4.8-33.6 HA ALA 108 - HD3 LYS 26 far 9 95 10 - 6.2-32.2 HA ALA 28 - HD3 LYS 26 far 9 63 15 - 6.0-9.9 HA GLN 61 - HD3 LYS 26 far 9 94 10 - 4.2-26.3 HA ALA 16 - HD3 LYS 24 far 9 94 10 - 6.6-19.1 HA LYS 26 - HD3 LYS 36 far 9 92 10 - 7.2-21.5 HA ALA 28 - HD3 LYS 24 far 9 60 15 - 6.5-13.5 HA ALA 16 - HD2 LYS 24 far 9 90 10 - 7.2-19.6 HA ALA 21 - HD3 LYS 36 far 9 59 15 - 5.2-27.3 HA GLN 61 - HD2 LYS 24 far 9 88 10 - 7.5-26.2 HA ALA 28 - HD2 LYS 24 far 9 57 15 - 6.3-14.3 HA THR 18 - HD3 LYS 36 far 9 86 10 - 6.8-33.0 HA LYS 31 - HD2 LYS 19 far 8 84 10 - 2.7-27.6 HA THR 18 - HD2 LYS 36 far 8 84 10 - 6.7-32.3 HA LYS 26 - HD2 LYS 19 far 8 84 10 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 8 84 10 - 6.8-23.7 HA LEU 22 - HD2 LYS 19 far 8 83 10 - 6.1-11.8 HA LYS 36 - HD2 LYS 24 far 8 82 10 - 6.0-27.3 HA LYS 26 - HD3 LYS 19 far 8 81 10 - 7.0-22.3 HA ALA 12 - HD2 LYS 24 far 8 80 10 - 7.6-24.0 HA ALA 21 - HD3 LYS 19 far 8 50 15 - 5.9-10.7 HA ALA 21 - HD2 LYS 26 far 7 69 10 - 7.2-16.4 HA GLN 27 - HD3 LYS 24 far 7 68 10 - 4.5-14.4 HA GLN 27 - HD2 LYS 24 far 6 64 10 - 5.6-13.6 HA LYS 26 - HD2 LYS 36 poor 6 90 25 27 7.0-20.6 10816/10842=4...(3) HA ALA 21 - HD2 LYS 36 far 6 58 10 - 5.3-26.7 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 7.4-24.1 HA LEU 22 - HD2 LYS 31 far 5 100 5 - 8.1-19.6 HA ALA 108 - HD2 LYS 26 far 5 98 5 - 4.8-33.2 HA LYS 19 - HD3 LYS 26 far 5 97 5 - 6.6-20.4 HA ALA 28 - HD3 LYS 19 far 5 48 10 - 7.6-24.0 HA LYS 36 - HD2 LYS 31 far 5 93 5 - 7.0-16.1 HA ALA 15 - HD3 LYS 26 far 5 94 5 - 8.1-24.3 HA ALA 108 - HD3 LYS 24 far 5 93 5 - 7.5-40.8 HA LYS 36 - HD3 LYS 31 far 5 92 5 - 7.6-15.2 HA ALA 15 - HD3 LYS 24 far 5 91 5 - 5.0-21.8 HA LYS 31 - HD2 LYS 24 far 5 92 5 - 7.8-17.9 HA ALA 110 - HD2 LYS 26 far 5 92 5 - 6.6-36.4 HA GLN 61 - HD3 LYS 24 far 5 91 5 - 6.8-25.3 HA THR 18 - HD3 LYS 26 far 5 92 5 - 8.2-20.7 HA ALA 16 - HD3 LYS 36 far 5 90 5 - 7.2-32.0 HA ALA 108 - HD2 LYS 24 far 4 89 5 - 8.1-41.9 HA ARG 23 - HD3 LYS 36 far 4 89 5 - 7.6-24.8 HA ALA 110 - HD3 LYS 26 far 4 88 5 - 4.9-35.3 HA ALA 15 - HD2 LYS 24 far 4 88 5 - 5.4-22.2 HA SER 74 - HD3 LYS 31 far 4 86 5 - 7.2-24.8 HA LYS 31 - HD3 LYS 19 far 4 81 5 - 3.5-28.9 HA GLN 61 - HD2 LYS 19 far 4 80 5 - 7.8-32.5 HA ALA 110 - HD2 LYS 19 far 4 74 5 - 6.8-53.6 HA ALA 110 - HD3 LYS 19 far 4 71 5 - 8.1-52.0 HA ALA 21 - HD3 LYS 26 far 3 65 5 - 5.8-15.9 HA SER 124 - HD2 LYS 95 far 3 64 5 - 7.7-13.6 HA THR 18 - HD3 LYS 24 lone 3 89 30 11 2.0-15.2 3.6/6154=4, 10686/307=1 HA THR 25 - HD2 LYS 31 lone 3 83 35 10 4.3-15.2 3.6/534=3, ~6235=1 HA GLN 27 - HD2 LYS 19 far 3 57 5 - 7.5-22.5 HA ALA 28 - HD3 LYS 36 far 3 57 5 - 8.2-16.0 HA THR 18 - HD2 LYS 24 lone 3 86 30 11 3.6-15.2 3.6/6154=3, 10686/276=2 HA THR 25 - HD3 LYS 31 lone 3 82 30 10 4.3-14.5 3.6/659=3, ~6235=1 HA ALA 28 - HD2 LYS 19 far 3 51 5 - 7.3-23.0 HA ALA 21 - HD3 LYS 24 lone 2 63 60 5 3.1-12.2 HA ALA 21 - HD2 LYS 24 lone 2 59 55 5 3.9-12.1 HA ALA 12 - HD3 LYS 19 lone 1 69 45 4 3.2-20.9 HA ALA 12 - HD2 LYS 19 lone 1 72 40 4 4.1-20.6 HA ALA 15 - HD2 LYS 19 lone 1 80 35 4 4.3-14.9 HA ALA 15 - HD3 LYS 19 lone 1 77 35 4 4.4-14.7 HA ARG 23 - HD2 LYS 19 lone 1 81 30 3 7.0-14.4 HA ALA 15 - HD2 LYS 26 far 0 97 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 87 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 55 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 77 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 88 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 95 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 89 0 - 8.4-31.3 HA THR 25 - HD2 LYS 95 far 0 81 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 93 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 86 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 89 0 - 8.5-27.7 HA THR 25 - HD3 LYS 95 far 0 79 0 - 8.5-30.6 HA ALA 109 - HD3 LYS 19 far 0 79 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 92 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 82 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 95 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 71 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 90 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 96 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 79 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 99 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 70 0 - 9.3-22.5 HA ALA 28 - HD2 LYS 36 far 0 56 0 - 9.4-15.3 HA SER 124 - HD3 LYS 95 far 0 62 0 - 9.5-12.9 HA ALA 108 - HD3 LYS 31 far 0 98 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 99 0 - 9.5-32.1 HA PHE 87 - HD2 LYS 95 far 0 100 0 - 9.6-13.0 HA SER 74 - HD2 LYS 95 far 0 85 0 - 9.6-12.5 HA ALA 12 - HD2 LYS 31 far 0 92 0 - 9.6-26.0 HA SER 74 - HD3 LYS 95 far 0 84 0 - 9.6-11.9 HA ALA 12 - HD3 LYS 31 far 0 91 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 82 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 89 0 - 9.7-44.1 HA ALA 28 - HD2 LYS 95 far 0 67 0 - 9.8-28.9 HB THR 115 - HD3 LYS 26 far 0 97 0 - 9.8-33.3 HA ALA 110 - HD3 LYS 95 far 0 90 0 - 9.9-28.3 HA ALA 16 - HD2 LYS 26 far 0 98 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 74 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 91 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 86 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 845 from aliabs.peaks (1.74, 1.65, 28.90 ppm; 4.74 A): 14 out of 67 assignments used, quality = 1.00: * HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.1-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 1.9-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 52 97 55 98 2.4-15.6 639/2.9=8, 628/2.9=8...(164) HB2 LYS 31 + HD2 LYS 26 OK 44 99 45 99 3.3-16.0 639/2.9=8, 628/2.9=8...(183) HB2 LYS 26 + HD2 LYS 31 OK 40 100 40 99 4.5-13.8 10770/10771=19...(197) HB2 LYS 19 + HD3 LYS 24 OK 27 95 30 96 4.7-15.4 823/3.0=5, 1.8/2632=4...(146) HB2 LYS 26 + HD3 LYS 31 OK 25 100 25 99 4.1-13.7 10770/10771=15...(221) HB2 ARG 23 + HD3 LYS 26 OK 22 94 30 77 3.3-13.9 3.7/11449=16...(45) HB2 ARG 23 - HD2 LYS 26 poor 17 97 25 69 2.0-13.7 ~11618=5, 433/5.7=4...(37) HB2 LYS 24 - HD2 LYS 19 poor 15 84 35 51 4.1-16.1 790/5.2=2, 255=2...(7) HB2 LYS 19 - HD2 LYS 24 far 14 92 15 - 3.7-16.1 HB2 ARG 23 - HD2 LYS 24 far 13 88 15 - 5.8-9.7 HB2 LYS 24 - HD3 LYS 19 poor 11 81 25 55 2.7-16.8 790/5.2=2, 514/3.0=2...(8) HB2 ARG 23 - HD3 LYS 24 far 9 91 10 - 4.5-9.5 HB2 LYS 26 - HD2 LYS 36 far 9 90 10 - 5.6-20.8 HB2 LYS 24 - HD2 LYS 31 far 5 100 5 - 4.7-17.2 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.1-23.0 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-23.5 HB2 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.9-18.6 HB2 LYS 24 - HD2 LYS 26 far 5 99 5 - 6.1-12.1 HB2 LYS 19 - HD2 LYS 26 far 5 99 5 - 6.2-21.7 HB2 ARG 23 - HD2 LYS 31 far 5 98 5 - 5.5-17.1 HB2 ARG 23 - HD3 LYS 31 far 5 97 5 - 6.2-18.0 HB2 LYS 19 - HD3 LYS 26 far 5 97 5 - 5.6-21.9 HB2 LYS 26 - HD3 LYS 24 far 5 95 5 - 2.0-12.6 HB2 LYS 31 - HD3 LYS 24 far 5 95 5 - 6.2-19.4 HB2 LYS 24 - HD3 LYS 36 far 5 92 5 - 4.2-25.9 HB2 LYS 26 - HD2 LYS 24 far 5 92 5 - 3.6-12.6 HB2 LYS 26 - HD3 LYS 36 far 5 92 5 - 6.1-21.8 HB2 LYS 24 - HD2 LYS 36 far 5 90 5 - 3.0-25.5 HB2 LYS 31 - HD2 LYS 36 far 5 90 5 - 5.5-12.6 HB2 ARG 23 - HD3 LYS 36 far 4 88 5 - 5.5-23.2 HB2 ARG 23 - HD2 LYS 36 far 4 86 5 - 6.0-22.4 HB2 LYS 31 - HD2 LYS 19 far 4 84 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 4 81 5 - 5.5-29.5 HB2 ARG 23 - HD2 LYS 19 far 0 80 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 92 0 - 6.5-12.1 HG13 ILE 129 - HD2 LYS 95 far 0 100 0 - 6.5-11.1 HB2 LYS 26 - HD3 LYS 19 far 0 81 0 - 6.6-24.6 HG13 ILE 129 - HD3 LYS 95 far 0 99 0 - 6.6-9.8 HB2 LYS 31 - HD2 LYS 24 far 0 92 0 - 6.7-18.3 HG3 ARG 90 - HD3 LYS 95 far 0 97 0 - 7.0-10.9 HB2 LYS 26 - HD2 LYS 19 far 0 84 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 97 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 73 0 - 7.5-15.4 HG3 ARG 90 - HD2 LYS 95 far 0 99 0 - 7.8-12.0 HB2 ARG 23 - HD3 LYS 19 far 0 77 0 - 8.0-15.0 HB2 LYS 39 - HD3 LYS 24 far 0 77 0 - 8.5-31.4 HB2 LYS 39 - HD2 LYS 36 far 0 71 0 - 8.9-14.2 HB3 LEU 70 - HD2 LYS 36 far 0 49 0 - 9.0-14.8 HB3 LEU 70 - HD3 LYS 36 far 0 50 0 - 9.0-15.3 HB2 LYS 24 - HD3 LYS 95 far 0 99 0 - 9.1-34.0 HB2 LYS 19 - HD3 LYS 36 far 0 92 0 - 9.2-30.9 HB3 LEU 70 - HD2 LYS 31 far 0 60 0 - 9.3-20.2 HB3 LEU 70 - HD3 LYS 95 far 0 57 0 - 9.3-14.6 HB3 LEU 70 - HD3 LYS 31 far 0 59 0 - 9.6-19.5 HG LEU 100 - HD2 LYS 31 far 0 57 0 - 9.6-21.5 HB2 LYS 24 - HD2 LYS 95 far 0 100 0 - 9.7-34.8 HB2 LYS 39 - HD2 LYS 19 far 0 65 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 56 0 - 9.9-21.8 HB2 LYS 39 - HD2 LYS 24 far 0 73 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 846 from aliabs.peaks (1.81, 1.65, 28.90 ppm; 5.74 A): 33 out of 84 assignments used, quality = 1.00: * HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-4.0 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.0-4.1 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.5-4.2 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.1-4.0 3.5=100 HB ILE 32 + HD2 LYS 36 OK 90 90 100 100 2.1-6.8 ~10901=58, ~10900=44...(69) HB2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.0-4.2 3.5=100 HB ILE 32 + HD3 LYS 36 OK 87 92 95 100 2.3-8.3 ~10901=58, ~10900=44...(70) HB3 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.2-3.7 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 80 80 100 100 2.1-3.7 3.9=100 HB ILE 32 + HD3 LYS 31 OK 63 100 65 98 4.1-9.2 3.0/10763=15...(81) HB3 LYS 31 + HD2 LYS 26 OK 55 99 55 100 2.9-17.3 629/2.9=9, 6332/6336=8...(189) HB ILE 32 + HD2 LYS 31 OK 54 100 55 98 5.5-9.5 10752/5.2=14, 902/6.2=14...(79) HB3 LYS 31 + HD3 LYS 26 OK 53 97 55 100 3.4-17.4 629/2.9=9, 6332/6336=8...(173) HB VAL 93 + HD3 LYS 95 OK 47 87 55 99 5.9-8.8 2.1/9828=84...(10) HB3 LEU 98 + HD2 LYS 95 OK 47 59 85 95 4.7-9.5 2963/5.0=43, ~3178=21...(23) HB ILE 32 + HD3 LYS 26 OK 47 97 50 97 4.0-17.6 ~10704=13, ~892=12...(71) HB3 LEU 98 + HD3 LYS 95 OK 46 57 85 96 3.6-8.7 2963/5.0=43, 3.0/3178=27...(26) HB3 LYS 26 + HD3 LYS 31 OK 45 100 45 100 4.5-14.4 10769/10771=22...(248) HB3 ARG 23 + HD2 LYS 26 OK 44 98 55 81 2.9-14.2 ~11618=7, 442/5.7=7...(82) HB ILE 32 + HD2 LYS 26 OK 44 99 45 97 4.1-18.3 ~10767=16, ~10704=13...(73) HB3 ARG 23 + HD3 LYS 26 OK 41 96 50 86 2.9-14.6 3.7/11449=21...(82) HB3 LYS 26 + HD2 LYS 31 OK 40 100 40 100 4.2-14.4 10769/10771=28...(240) HB3 LYS 19 + HD3 LYS 24 OK 37 94 40 98 3.5-15.3 ~823=5, 526/3.0=5...(152) HB3 LYS 19 + HD2 LYS 24 OK 36 91 40 99 2.0-16.0 ~823=5, 526/3.0=5...(187) HB2 LYS 36 + HD2 LYS 26 OK 28 99 35 81 5.1-27.9 ~1004=9, ~1003=9...(36) HB2 LYS 36 + HD3 LYS 26 OK 27 96 35 80 4.4-27.1 ~1004=9, ~1003=9...(36) HB3 ARG 23 + HD3 LYS 24 OK 26 94 35 79 5.2-9.3 6214/5.9=32, ~1018=7...(41) HB3 ARG 23 + HD2 LYS 24 OK 25 90 35 80 5.9-9.2 6214/5.9=32, ~1018=7...(46) HB VAL 93 + HD2 LYS 95 OK 22 89 25 97 6.0-10.4 ~9828=67, ~11324=45...(10) HB3 LYS 24 + HD2 LYS 19 OK 22 84 35 73 3.7-15.7 240/5.2=2, 2.9/828=2...(41) HB3 LYS 24 - HD3 LYS 19 poor 19 81 30 76 2.0-16.3 240/5.2=2, 2.9/828=2...(60) HB3 ARG 23 - HD2 LYS 31 far 15 99 15 - 6.2-17.1 HB3 LYS 24 - HD2 LYS 26 far 15 99 15 - 6.4-12.7 HB3 ARG 23 - HD3 LYS 31 far 15 99 15 - 6.2-17.9 HB2 LYS 36 - HD3 LYS 31 far 10 99 10 - 5.9-14.3 HB3 LYS 31 - HD3 LYS 24 far 10 95 10 - 6.8-18.8 HB3 LYS 26 - HD3 LYS 24 far 9 95 10 - 3.7-12.3 HB3 LYS 24 - HD3 LYS 36 far 9 92 10 - 5.5-25.2 HB3 LYS 26 - HD2 LYS 24 far 9 91 10 - 5.1-12.6 HB3 LYS 26 - HD3 LYS 36 far 9 91 10 - 6.0-22.1 HB3 LYS 24 - HD2 LYS 36 far 9 90 10 - 4.2-24.7 HB3 ARG 23 - HD2 LYS 36 far 9 89 10 - 5.8-22.3 HB3 LYS 31 - HD2 LYS 19 far 8 84 10 - 3.6-27.6 HB3 LYS 31 - HD2 LYS 36 poor 8 90 25 33 6.7-11.9 4.6/6347=8, 9824/10842=3 HB3 LYS 26 - HD2 LYS 36 poor 6 90 25 25 6.5-21.1 10898/10837=3...(5) HB3 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.4-17.9 HB2 LYS 36 - HD2 LYS 31 far 5 100 5 - 5.0-15.5 HB3 LYS 19 - HD2 LYS 31 far 5 100 5 - 6.0-24.2 HB3 LYS 24 - HD3 LYS 31 far 5 100 5 - 6.4-19.4 HB3 LYS 19 - HD3 LYS 31 far 5 99 5 - 5.9-24.7 HB3 LYS 19 - HD2 LYS 26 far 5 99 5 - 6.5-21.2 HB3 LYS 19 - HD3 LYS 26 far 5 96 5 - 6.5-21.5 HB ILE 32 - HD3 LYS 24 far 5 95 5 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 24 far 5 94 5 - 6.9-28.2 HB3 LYS 31 - HD3 LYS 36 far 5 92 5 - 7.1-13.3 HB2 LYS 36 - HD2 LYS 24 far 5 91 5 - 5.7-27.6 HB3 ARG 23 - HD3 LYS 36 far 5 90 5 - 4.9-23.1 HB3 ARG 23 - HD2 LYS 19 far 4 82 5 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 19 far 4 81 5 - 4.1-28.8 HB3 LYS 26 - HD3 LYS 19 far 4 81 5 - 6.9-24.6 HB3 LEU 98 - HD3 LYS 24 far 3 53 5 - 4.2-35.7 HB3 LEU 98 - HD2 LYS 24 far 2 50 5 - 4.6-36.8 HB3 LYS 26 - HD2 LYS 19 far 0 84 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 70 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 92 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 95 far 0 99 0 - 7.6-33.5 HB3 LYS 24 - HD3 LYS 26 far 0 97 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 95 far 0 77 0 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 95 far 0 75 0 - 7.8-11.4 HB ILE 32 - HD3 LYS 19 far 0 81 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 79 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 84 0 - 8.1-28.1 HB3 LYS 24 - HD2 LYS 95 far 0 100 0 - 8.2-34.6 HB3 LEU 122 - HD2 LYS 24 far 0 66 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 64 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 92 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 79 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 75 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 67 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 95 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 73 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 847 from aliabs.peaks (1.46, 1.65, 28.90 ppm; 5.64 A): 25 out of 74 assignments used, quality = 1.00: * HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.5-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HD2 LYS 26 OK 66 66 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HD2 LYS 19 OK 65 65 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 63 63 100 100 2.2-2.9 2.9=100 HG3 LYS 19 + HD3 LYS 19 OK 62 62 100 100 2.2-3.0 3.0=100 QB ALA 92 + HD3 LYS 95 OK 62 62 100 100 3.6-6.8 2.1/9941=47, ~9941=42...(27) HG2 LYS 31 + HD2 LYS 26 OK 50 99 50 100 3.5-18.0 823/3.5=7, 1019/3.5=6...(244) HG2 LYS 31 + HD3 LYS 26 OK 48 97 50 100 4.2-17.6 823/3.5=7, 5.0/6336=7...(238) HG13 ILE 32 + HD2 LYS 36 OK 46 51 90 100 4.2-7.8 ~10901=45, ~10900=35...(87) QB ALA 92 + HD2 LYS 95 OK 45 64 70 100 3.1-7.6 ~9941=44, 2.1/9941=44...(25) HG13 ILE 32 + HD3 LYS 36 OK 42 52 80 100 3.6-8.5 ~10901=45, ~10900=35...(86) HG13 ILE 32 + HD3 LYS 31 OK 41 62 70 95 2.0-10.3 6333/6.2=14, ~9824=13...(63) HG13 ILE 32 + HD3 LYS 26 OK 32 58 60 92 2.0-15.6 ~10704=15, ~10842=11...(62) HG13 ILE 32 + HD2 LYS 26 OK 32 61 55 95 2.5-16.4 ~10767=19, ~10704=15...(73) HG13 ILE 32 + HD2 LYS 31 OK 30 63 50 96 3.3-9.3 6333/6.2=14, ~9824=13...(77) HG3 LYS 19 + HD3 LYS 24 OK 25 77 35 95 4.4-17.3 3.0/2632=4, ~823=3...(152) HG3 LYS 19 + HD2 LYS 24 OK 25 73 35 97 4.4-17.3 3.0/2631=4, ~823=3...(181) HG3 LYS 24 + HD3 LYS 19 OK 21 77 35 78 2.0-17.8 823/3.9=5, 822/5.2=5...(34) HG3 LYS 24 + HD2 LYS 19 OK 21 80 35 75 2.7-16.7 823/3.9=5, 822/5.2=5...(24) HG2 LYS 26 + HD2 LYS 31 OK 20 68 30 100 5.0-16.2 ~639=6, ~804=6, ~514=6...(237) HG3 LYS 36 - HD3 LYS 26 poor 19 97 25 80 3.6-25.1 ~1004=7, ~1003=7...(43) HG2 LYS 31 - HD2 LYS 36 poor 18 90 20 - 6.0-13.4 HG2 LYS 26 - HD3 LYS 31 poor 17 67 25 - 4.2-16.2 HG3 LYS 36 - HD2 LYS 31 far 15 100 15 - 5.8-13.8 HG3 LYS 36 - HD3 LYS 31 far 15 100 15 - 5.6-12.6 HG3 LYS 36 - HD2 LYS 26 far 15 99 15 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 26 far 15 97 15 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 14 95 15 - 6.0-17.5 HG2 LYS 26 - HD2 LYS 36 poor 14 56 25 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 poor 11 57 20 - 5.1-12.8 HG2 LYS 26 - HD3 LYS 36 poor 11 57 20 - 5.7-24.0 QB ALA 52 - HD3 LYS 24 far 10 68 15 - 5.3-23.6 QB ALA 52 - HD2 LYS 24 far 10 64 15 - 4.8-24.6 HG2 LYS 31 - HD3 LYS 36 far 9 92 10 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 9 92 10 - 5.5-17.2 HG2 LYS 26 - HD3 LYS 24 far 9 60 15 - 3.7-12.2 HG2 LYS 31 - HD2 LYS 19 far 8 84 10 - 5.7-26.4 HG3 LYS 24 - HD2 LYS 31 far 5 98 5 - 6.7-17.1 HG3 LYS 36 - HD3 LYS 24 far 5 95 5 - 6.5-26.8 HG3 LYS 24 - HD3 LYS 26 far 5 94 5 - 5.9-11.9 HG3 LYS 36 - HD2 LYS 24 far 5 92 5 - 5.5-26.2 HG3 LYS 24 - HD3 LYS 36 far 4 88 5 - 6.1-24.1 HG3 LYS 24 - HD2 LYS 36 far 4 86 5 - 5.1-23.7 HG3 LYS 19 - HD2 LYS 31 far 4 85 5 - 6.8-25.5 HG3 LYS 19 - HD3 LYS 31 far 4 84 5 - 6.4-26.0 HG2 LYS 31 - HD3 LYS 19 far 4 81 5 - 5.6-27.7 QB ALA 52 - HD2 LYS 26 far 4 74 5 - 6.6-24.5 HG13 ILE 32 - HD2 LYS 19 far 2 46 5 - 6.7-25.6 HG13 ILE 32 - HD3 LYS 19 far 2 44 5 - 6.2-26.5 HG13 ILE 32 - HD3 LYS 24 far 0 55 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 52 0 - 7.4-16.8 HG3 LYS 24 - HD3 LYS 95 far 0 96 0 - 7.8-36.0 QB ALA 52 - HD2 LYS 31 far 0 76 0 - 7.8-23.8 HG3 LYS 19 - HD3 LYS 26 far 0 79 0 - 7.8-23.0 QB ALA 52 - HD3 LYS 26 far 0 70 0 - 7.9-24.2 HG3 LYS 24 - HD3 LYS 31 far 0 97 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 97 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 83 0 - 8.1-22.8 QB ALA 52 - HD2 LYS 36 far 0 63 0 - 8.4-17.8 QB ALA 52 - HD2 LYS 19 far 0 57 0 - 8.4-30.3 QB ALA 52 - HD3 LYS 31 far 0 75 0 - 8.6-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 48 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 51 0 - 8.9-23.8 QB ALA 52 - HD3 LYS 36 far 0 64 0 - 9.0-17.1 QB ALA 52 - HD3 LYS 19 far 0 55 0 - 9.2-30.7 QB ALA 92 - HD3 LYS 24 far 0 58 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 55 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 84 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 81 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 848 from aliabs.peaks (1.39, 1.65, 28.90 ppm; 4.99 A): 23 out of 148 assignments used, quality = 1.00: * HG3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-2.9 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 96 96 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 91 91 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 89 89 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 72 72 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 69 69 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 48 97 50 99 3.0-16.8 834/3.5=6, 5.0/6336=5...(222) HG3 LYS 31 + HD2 LYS 26 OK 35 99 35 100 4.8-17.0 834/3.5=6, 835/3.5=5...(231) HG2 LYS 19 + HD3 LYS 24 OK 30 84 40 91 2.7-16.9 3.0/2632=3, ~823=3...(117) QB ALA 28 + HD3 LYS 31 OK 27 100 45 60 2.9-9.7 6304/10771=27, ~10771=25...(9) QB ALA 34 + HD2 LYS 36 OK 25 49 75 68 4.7-8.0 5.0/10775=30...(9) QB ALA 28 + HD2 LYS 31 OK 25 100 40 62 2.1-10.6 6304/10771=34, ~10771=21...(10) HG3 LYS 26 + HD2 LYS 31 OK 25 100 25 99 3.6-15.7 639/3.5=8, 640/3.5=6...(199) HG3 LYS 26 + HD3 LYS 31 OK 25 99 25 99 3.4-15.4 639/3.5=8, 640/3.5=6...(198) QB ALA 34 + HD3 LYS 36 OK 21 50 65 63 4.1-8.0 5.0/10775=23...(9) QB ALA 15 - HD2 LYS 31 poor 20 100 20 - 3.6-21.3 HG2 LYS 24 - HD2 LYS 19 poor 20 80 25 - 3.2-16.1 QB ALA 15 - HD3 LYS 31 poor 20 99 20 - 3.8-22.6 QB ALA 29 - HD2 LYS 26 poor 20 98 20 - 4.7-11.1 HG2 LYS 24 - HD3 LYS 19 poor 19 77 25 - 2.1-17.8 HG3 LYS 26 - HD3 LYS 24 poor 19 94 20 - 3.7-11.0 HG2 LYS 19 - HD2 LYS 24 poor 19 80 25 94 3.0-17.8 3.0/2631=4, ~823=3...(149) HG LEU 96 - HD3 LYS 95 poor 19 93 20 - 5.8-9.4 QB ALA 29 - HD2 LYS 36 poor 18 88 20 - 5.2-9.9 QB ALA 15 - HD2 LYS 19 poor 17 83 20 - 3.7-12.8 QB ALA 29 - HD3 LYS 31 poor 15 98 30 51 3.0-9.8 ~10782=29, 3.7/7749=8...(12) QB ALA 29 - HD2 LYS 31 poor 15 99 30 51 2.5-9.8 ~10782=29, 3.7/7749=7...(11) QB ALA 28 - HD2 LYS 26 far 15 99 15 - 5.4-9.5 HB2 LEU 96 - HD3 LYS 95 far 15 98 15 - 5.9-9.0 QB ALA 28 - HD3 LYS 26 far 15 97 15 - 6.2-9.2 HG LEU 96 - HD2 LYS 95 far 14 94 15 - 5.0-10.2 QB ALA 16 - HD3 LYS 24 far 14 94 15 - 5.7-16.6 HG3 LYS 31 - HD3 LYS 36 far 14 92 15 - 4.6-13.4 HG3 LYS 31 - HD2 LYS 36 far 14 90 15 - 4.8-13.4 QB ALA 29 - HD3 LYS 36 far 13 89 15 - 5.2-10.6 QB ALA 15 - HD3 LYS 19 far 12 80 15 - 3.8-12.9 QB ALA 16 - HD3 LYS 31 far 10 99 10 - 6.3-25.2 QB ALA 108 - HD2 LYS 26 far 10 98 10 - 6.0-26.8 QB ALA 109 - HD3 LYS 26 far 10 97 10 - 5.1-28.1 QB ALA 29 - HD3 LYS 26 far 9 95 10 - 4.5-11.4 QB ALA 29 - HD3 LYS 24 far 9 93 10 - 5.3-12.6 HG3 LYS 26 - HD2 LYS 24 far 9 91 10 - 5.3-11.0 HG3 LYS 26 - HD3 LYS 36 far 9 91 10 - 5.9-23.8 QB ALA 12 - HD3 LYS 24 far 9 60 15 - 4.3-18.1 HG3 LYS 26 - HD2 LYS 36 far 9 90 10 - 4.8-22.9 HB2 LEU 42 - HD3 LYS 36 far 8 84 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 8 83 10 - 4.0-11.4 QB ALA 16 - HD2 LYS 19 far 8 82 10 - 4.8-11.3 QB ALA 28 - HD3 LYS 19 far 8 81 10 - 4.6-21.9 QB ALA 12 - HD2 LYS 24 far 6 57 10 - 5.6-18.4 QB ALA 110 - HD2 LYS 26 far 5 99 5 - 3.6-30.2 QB ALA 109 - HD2 LYS 26 far 5 99 5 - 4.4-27.7 HG2 LYS 36 - HD2 LYS 31 far 5 100 5 - 6.2-13.5 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 5.3-24.0 HB2 LEU 96 - HD2 LYS 95 far 5 99 5 - 5.6-9.4 HG2 LYS 36 - HD2 LYS 26 far 5 99 5 - 5.9-25.5 QB ALA 110 - HD3 LYS 26 far 5 97 5 - 2.4-29.3 HG2 LYS 24 - HD2 LYS 26 far 5 97 5 - 5.8-11.1 HG2 LYS 36 - HD3 LYS 26 far 5 96 5 - 5.1-24.7 QB ALA 108 - HD3 LYS 26 far 5 96 5 - 4.8-26.0 HG3 LYS 95 - HD3 LYS 24 far 5 95 5 - 3.7-36.4 HG3 LYS 31 - HD3 LYS 24 far 5 95 5 - 5.9-16.5 HG2 LYS 95 - HD3 LYS 24 far 5 95 5 - 4.1-36.2 QB ALA 15 - HD3 LYS 24 far 5 94 5 - 3.5-17.1 QB ALA 108 - HD3 LYS 24 far 5 94 5 - 4.5-33.1 HG2 LYS 24 - HD3 LYS 26 far 5 94 5 - 5.2-11.4 HG3 LYS 95 - HD2 LYS 24 far 5 92 5 - 3.4-37.4 HG3 LYS 31 - HD2 LYS 24 far 5 92 5 - 6.0-16.9 HG2 LYS 95 - HD2 LYS 24 far 5 91 5 - 4.4-37.2 QB ALA 15 - HD2 LYS 24 far 5 91 5 - 4.1-17.3 QB ALA 16 - HD2 LYS 24 far 5 90 5 - 4.9-17.1 QB ALA 108 - HD2 LYS 24 far 5 90 5 - 5.1-33.9 QB ALA 29 - HD2 LYS 24 far 4 89 5 - 5.3-13.3 HG2 LYS 24 - HD2 LYS 36 far 4 86 5 - 5.3-25.5 HG3 LYS 31 - HD2 LYS 19 far 4 84 5 - 4.6-25.3 QB ALA 28 - HD2 LYS 19 far 4 84 5 - 5.9-21.1 HG3 LYS 31 - HD3 LYS 19 far 4 81 5 - 4.1-26.6 QB ALA 16 - HD3 LYS 19 far 4 79 5 - 5.4-11.1 QB ALA 12 - HD3 LYS 31 far 3 67 5 - 6.4-22.7 QB ALA 34 - HD2 LYS 26 far 3 58 5 - 4.9-20.3 QB ALA 34 - HD3 LYS 26 far 3 55 5 - 6.2-20.6 QB ALA 28 - HD2 LYS 24 lone 2 92 25 8 4.4-13.3 11150/11832=2...(3) QB ALA 28 - HD3 LYS 24 lone 2 95 25 8 4.8-12.7 11150/11832=2...(3) QB ALA 12 - HD3 LYS 19 lone 1 48 45 3 2.1-15.8 QB ALA 12 - HD2 LYS 19 lone 1 51 45 3 2.2-15.1 HG2 LYS 24 - HD3 LYS 36 far 0 88 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 81 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 68 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 99 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 90 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 91 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 84 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 92 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 97 0 - 7.0-17.3 QB ALA 34 - HD2 LYS 24 far 0 50 0 - 7.0-21.4 HG2 LYS 24 - HD2 LYS 31 far 0 98 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 79 0 - 7.0-21.3 QB ALA 34 - HD3 LYS 24 far 0 53 0 - 7.1-22.6 QB ALA 109 - HD2 LYS 19 far 0 84 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 97 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 99 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 90 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 91 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 96 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 89 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 82 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 99 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 98 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 81 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 86 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 99 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 95 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 94 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 90 0 - 8.2-25.1 QB ALA 34 - HD3 LYS 31 far 0 59 0 - 8.2-12.5 QB ALA 108 - HD3 LYS 31 far 0 99 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 96 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 92 0 - 8.2-14.4 QB ALA 34 - HD2 LYS 31 far 0 60 0 - 8.3-12.7 QB ALA 109 - HD2 LYS 24 far 0 92 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 91 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 99 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 98 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 96 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 97 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 79 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 82 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 80 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 100 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 83 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 100 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 83 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 56 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 80 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 90 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 57 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 93 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 94 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 94 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 849 from aliabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 95 + HD2 LYS 95 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 99 99 - 100 HD3 LYS 95 + HD3 LYS 95 OK 98 98 - 100 HD3 LYS 24 + HD3 LYS 24 OK 95 95 - 100 HD3 LYS 26 + HD3 LYS 26 OK 95 95 - 100 HD3 LYS 36 + HD3 LYS 36 OK 90 90 - 100 HD2 LYS 24 + HD2 LYS 24 OK 90 90 - 100 HD2 LYS 36 + HD2 LYS 36 OK 88 88 - 100 HD2 LYS 19 + HD2 LYS 19 OK 83 83 - 100 HD3 LYS 19 + HD3 LYS 19 OK 79 79 - 100 Peak 850 from aliabs.peaks (1.66, 1.65, 28.90 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 99 99 - 100 HD2 LYS 95 + HD2 LYS 95 OK 99 99 - 100 HD3 LYS 95 + HD3 LYS 95 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 96 96 - 100 HD3 LYS 24 + HD3 LYS 24 OK 94 94 - 100 HD3 LYS 36 + HD3 LYS 36 OK 91 91 - 100 HD2 LYS 24 + HD2 LYS 24 OK 91 91 - 100 HD2 LYS 36 + HD2 LYS 36 OK 90 90 - 100 HD2 LYS 19 + HD2 LYS 19 OK 81 81 - 100 HD3 LYS 19 + HD3 LYS 19 OK 76 76 - 100 Reference assignment not found: HD3 LYS 31 - HD2 LYS 31 Peak 851 from aliabs.peaks (2.96, 1.65, 28.90 ppm; 6.06 A): 31 out of 114 assignments used, quality = 1.00: * HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.4-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.3-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 31 OK 34 100 35 99 4.6-18.1 6338/6.2=6, 2634/3.5=5...(206) HE3 LYS 26 + HD3 LYS 31 OK 34 100 35 99 3.6-17.7 6338/6.2=6, 2634/3.5=4...(202) HE2 LYS 26 + HD2 LYS 31 OK 30 100 30 99 6.0-18.3 6338/6.2=6, 2634/3.5=5...(207) HE3 LYS 26 + HD2 LYS 31 OK 30 100 30 99 5.2-17.8 6338/6.2=6, 2634/3.5=4...(203) HE3 LYS 26 + HD2 LYS 36 OK 28 90 60 53 2.5-24.7 1003/3.5=11, 1026/3.0=5...(20) HE2 LYS 26 + HD2 LYS 36 OK 27 90 50 60 3.3-25.2 1004/3.5=12, 1026/3.0=6...(30) HE3 LYS 26 + HD3 LYS 36 OK 26 91 55 52 3.6-25.8 1003/3.5=11, 1026/3.0=5...(20) HE2 LYS 26 + HD3 LYS 36 OK 25 92 45 60 4.7-26.1 1004/3.5=12, 1026/3.0=6...(30) HE2 LYS 31 + HD3 LYS 26 OK 21 97 45 47 4.2-14.6 7.1/6336=5, 4.8/650=4...(26) HE2 LYS 31 + HD2 LYS 26 OK 21 99 45 46 3.3-15.6 7.1/6336=5, 3.7/827=3...(26) HE2 LYS 19 + HD3 LYS 24 OK 20 95 35 61 4.2-18.5 5.1/2632=3, 3.8/827=2...(38) HE3 LYS 24 - HD2 LYS 19 poor 20 76 45 57 2.9-18.4 2634/3.9=4, 11770/5.2=3...(41) HE2 LYS 19 - HD2 LYS 24 poor 19 91 35 61 5.2-19.0 5.1/2631=3, 3.8/276=3...(38) HE3 LYS 19 - HD3 LYS 24 poor 19 95 40 50 3.7-17.8 5.1/2632=3, 3.8/827=2...(26) HE3 LYS 31 - HD3 LYS 26 poor 18 96 40 47 4.6-14.9 7.1/6336=5, 4.8/650=4...(26) HE2 LYS 24 - HD3 LYS 19 poor 17 79 40 54 2.7-18.2 2634/3.9=4, 11770/5.2=3...(38) HE3 LYS 19 - HD2 LYS 24 poor 17 91 35 52 3.9-18.3 5.1/2631=3, 3.8/276=3...(26) HE3 LYS 24 - HD3 LYS 19 poor 17 74 40 56 2.2-19.0 2634/3.9=4, 11770/5.2=3...(39) HE2 LYS 24 - HD2 LYS 19 poor 16 82 35 55 2.6-17.0 2634/3.9=4, 11770/5.2=3...(40) HE3 LYS 31 - HD2 LYS 26 poor 16 98 35 45 4.9-15.3 7.1/6336=5, 3.7/827=3...(26) HE2 LYS 36 - HD3 LYS 31 far 15 100 15 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 24 far 14 95 15 - 5.7-13.3 HE3 LYS 26 - HD2 LYS 24 far 14 91 15 - 7.0-13.6 HE3 LYS 36 - HD2 LYS 31 poor 10 100 35 27 5.7-13.3 6337/6.2=2...(5) HE2 LYS 26 - HD3 LYS 24 far 10 95 10 - 6.6-12.2 HE2 LYS 26 - HD2 LYS 24 far 9 92 10 - 6.9-13.2 HE2 LYS 36 - HD2 LYS 31 poor 8 100 25 33 4.6-13.1 10721/11944=2...(4) HB2 CYS 45 - HD2 LYS 31 far 7 73 10 - 7.5-19.9 HB2 CYS 45 - HD3 LYS 31 far 7 72 10 - 6.8-18.5 HE3 LYS 36 - HD3 LYS 31 poor 7 100 25 27 5.3-12.3 6337/6.2=2...(4) HB2 CYS 45 - HD3 LYS 26 far 7 68 10 - 6.8-26.2 HE3 LYS 36 - HD3 LYS 26 poor 7 97 30 23 3.8-24.9 4.9/1031=5...(4) HE2 LYS 36 - HD3 LYS 26 poor 6 97 30 21 2.9-24.6 4.9/1031=5...(4) HE3 LYS 36 - HD2 LYS 26 poor 6 99 25 23 3.3-25.8 4.9/1031=5...(4) HB2 CYS 45 - HD2 LYS 36 lone 6 60 60 16 4.5-10.8 9143/11125=6, ~1448=3...(4) HE2 LYS 36 - HD2 LYS 26 poor 5 99 25 21 1.9-25.5 4.9/1031=5...(4) HE2 LYS 24 - HD2 LYS 31 far 5 99 5 - 5.9-17.4 HB2 CYS 45 - HD3 LYS 36 lone 5 62 45 18 4.1-11.2 9143/11125=6, ~1448=3...(5) HE2 LYS 24 - HD3 LYS 31 far 5 99 5 - 4.7-18.8 HE2 LYS 24 - HD2 LYS 26 far 5 98 5 - 7.0-12.4 HE2 LYS 24 - HD3 LYS 95 far 5 97 5 - 6.6-34.7 HE3 LYS 24 - HD2 LYS 31 far 5 96 5 - 6.5-18.3 HE2 LYS 24 - HD3 LYS 26 far 5 96 5 - 7.2-13.0 HE2 LYS 36 - HD3 LYS 24 far 5 95 5 - 5.7-25.1 HE3 LYS 24 - HD3 LYS 31 far 5 95 5 - 5.0-18.2 HE3 LYS 36 - HD3 LYS 24 far 5 95 5 - 7.4-26.2 HE3 LYS 24 - HD2 LYS 95 far 5 94 5 - 6.5-37.7 HE3 LYS 31 - HD3 LYS 24 far 5 94 5 - 7.5-19.1 HE3 LYS 24 - HD3 LYS 95 far 5 93 5 - 5.3-36.2 HE2 LYS 36 - HD2 LYS 24 far 5 92 5 - 5.2-24.7 HE3 LYS 36 - HD2 LYS 24 far 5 92 5 - 7.0-25.6 HE2 LYS 24 - HD3 LYS 36 far 5 90 5 - 7.0-26.2 HE3 LYS 31 - HD2 LYS 24 far 5 90 5 - 7.4-18.2 HE2 LYS 24 - HD2 LYS 36 far 4 89 5 - 6.3-25.9 HB3 ASN 121 - HD2 LYS 95 far 4 85 5 - 6.6-11.6 HE2 LYS 31 - HD2 LYS 19 far 4 84 5 - 6.4-27.0 HB3 ASN 121 - HD3 LYS 95 far 4 84 5 - 6.3-11.9 HE3 LYS 24 - HD2 LYS 36 far 4 83 5 - 7.6-25.8 HE2 LYS 31 - HD3 LYS 19 far 4 81 5 - 6.7-28.5 HE3 LYS 31 - HD3 LYS 19 far 4 79 5 - 7.5-29.3 HB3 ASN 121 - HD3 LYS 24 far 4 79 5 - 5.3-34.8 HB3 ASN 121 - HD2 LYS 24 far 4 75 5 - 6.7-35.7 HE2 LYS 31 - HD3 LYS 36 lone 3 92 35 11 4.3-13.8 10840/10837=3...(3) HB3 ASN 116 - HD3 LYS 24 far 3 60 5 - 6.5-36.1 HE2 LYS 31 - HD2 LYS 36 lone 3 90 30 11 3.1-14.2 10840/10837=3...(3) HE3 LYS 31 - HD3 LYS 36 lone 3 90 30 9 4.8-13.8 10840/10837=3...(3) HE3 LYS 31 - HD2 LYS 36 lone 2 89 25 10 3.6-14.4 10840/10837=3...(3) HB2 CYS 45 - HD3 LYS 24 far 0 65 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 99 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 94 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 71 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 84 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 90 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 81 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 57 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 84 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 50 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 92 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 47 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 62 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 95 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 81 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 84 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 84 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 81 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 46 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 97 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 81 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 50 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 852 from aliabs.peaks (2.95, 1.65, 28.90 ppm; 6.06 A): 32 out of 114 assignments used, quality = 1.00: * HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 96 96 100 100 2.4-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 90 90 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 89 89 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 88 88 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.3-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 31 OK 34 99 35 99 4.6-18.1 6337/6.2=6, 2634/3.5=5...(206) HE3 LYS 26 + HD3 LYS 31 OK 34 97 35 99 3.6-17.7 6337/6.2=6, 2634/3.5=4...(202) HE2 LYS 26 + HD2 LYS 31 OK 29 99 30 99 6.0-18.3 6337/6.2=6, 2634/3.5=5...(207) HE3 LYS 26 + HD2 LYS 31 OK 29 98 30 99 5.2-17.8 6337/6.2=6, 2634/3.5=4...(203) HE3 LYS 26 + HD2 LYS 36 OK 27 86 60 52 2.5-24.7 1003/3.5=11, 1026/3.0=5...(19) HE2 LYS 26 + HD2 LYS 36 OK 27 89 50 60 3.3-25.2 1004/3.5=12, 1026/3.0=7...(30) HE3 LYS 26 + HD3 LYS 36 OK 25 88 55 52 3.6-25.8 1003/3.5=11, 1026/3.0=5...(19) HE2 LYS 26 + HD3 LYS 36 OK 24 90 45 60 4.7-26.1 1004/3.5=12, 1026/3.0=7...(30) HE3 LYS 24 + HD2 LYS 19 OK 21 82 45 57 2.9-18.4 2634/3.9=4, 11770/5.2=3...(41) HE2 LYS 31 + HD2 LYS 26 OK 20 98 45 46 3.3-15.6 7.1/6336=5, 3.7/827=3...(26) HE2 LYS 31 + HD3 LYS 26 OK 20 96 45 47 4.2-14.6 7.1/6336=5, 4.8/650=4...(26) HE2 LYS 19 + HD3 LYS 24 OK 20 95 35 61 4.2-18.5 5.1/2632=3, 3.8/827=2...(38) HE2 LYS 19 - HD2 LYS 24 poor 19 91 35 61 5.2-19.0 5.1/2631=3, 3.8/276=3...(38) HE3 LYS 19 - HD3 LYS 24 poor 19 95 40 50 3.7-17.8 5.1/2632=3, 3.8/827=2...(26) HE3 LYS 31 - HD3 LYS 26 poor 18 97 40 47 4.6-14.9 7.1/6336=5, 4.8/650=4...(26) HE3 LYS 24 - HD3 LYS 19 poor 18 79 40 57 2.2-19.0 2634/3.9=4, 11770/5.2=3...(39) HE2 LYS 24 - HD3 LYS 19 poor 18 81 40 54 2.7-18.2 2634/3.9=4, 11770/5.2=3...(38) HE3 LYS 19 - HD2 LYS 24 poor 17 91 35 52 3.9-18.3 5.1/2631=3, 3.8/277=3...(26) HE2 LYS 24 - HD2 LYS 19 poor 16 84 35 55 2.6-17.0 2634/3.9=4, 11770/5.2=3...(40) HE3 LYS 31 - HD2 LYS 26 poor 16 99 35 45 4.9-15.3 7.1/6336=5, 3.7/827=3...(26) HE2 LYS 36 - HD3 LYS 31 far 15 98 15 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 24 far 14 91 15 - 5.7-13.3 HE3 LYS 26 - HD2 LYS 24 far 13 88 15 - 7.0-13.6 HE3 LYS 36 - HD2 LYS 31 poor 9 99 35 27 5.7-13.3 6337/6.2=2...(5) HE2 LYS 26 - HD3 LYS 24 far 9 94 10 - 6.6-12.2 HE2 LYS 26 - HD2 LYS 24 far 9 90 10 - 6.9-13.2 HB2 CYS 45 - HD2 LYS 31 far 9 87 10 - 7.5-19.9 HB2 CYS 45 - HD3 LYS 31 far 9 86 10 - 6.8-18.5 HE2 LYS 36 - HD2 LYS 31 poor 8 99 25 33 4.6-13.1 10721/11944=2...(4) HB2 CYS 45 - HD3 LYS 26 far 8 81 10 - 6.8-26.2 HB2 CYS 45 - HD2 LYS 36 lone 8 73 60 18 4.5-10.8 9143/11125=7, ~1448=3...(5) HB2 CYS 45 - HD3 LYS 36 poor 7 75 45 20 4.1-11.2 9143/11125=8, ~1448=3...(6) HE3 LYS 36 - HD3 LYS 31 poor 7 98 25 27 5.3-12.3 6337/6.2=2...(4) HE3 LYS 36 - HD3 LYS 26 poor 7 95 30 23 3.8-24.9 4.9/1031=5...(4) HE2 LYS 36 - HD3 LYS 26 poor 6 95 30 21 2.9-24.6 4.9/1031=5...(3) HE3 LYS 36 - HD2 LYS 26 poor 6 98 25 23 3.3-25.8 4.9/1031=5...(4) HE2 LYS 36 - HD2 LYS 26 poor 5 98 25 21 1.9-25.5 4.9/1031=5...(4) HE2 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.9-17.4 HE2 LYS 24 - HD3 LYS 31 far 5 100 5 - 4.7-18.8 HE3 LYS 24 - HD2 LYS 31 far 5 99 5 - 6.5-18.3 HE2 LYS 24 - HD2 LYS 26 far 5 99 5 - 7.0-12.4 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 24 - HD3 LYS 95 far 5 99 5 - 6.6-34.7 HE3 LYS 24 - HD2 LYS 95 far 5 99 5 - 6.5-37.7 HE3 LYS 24 - HD3 LYS 95 far 5 97 5 - 5.3-36.2 HE2 LYS 24 - HD3 LYS 26 far 5 97 5 - 7.2-13.0 HE3 LYS 31 - HD3 LYS 24 far 5 95 5 - 7.5-19.1 HE2 LYS 36 - HD3 LYS 24 far 5 93 5 - 5.7-25.1 HE3 LYS 36 - HD3 LYS 24 far 5 93 5 - 7.4-26.2 HE2 LYS 24 - HD3 LYS 36 far 5 92 5 - 7.0-26.2 HE3 LYS 31 - HD2 LYS 24 far 5 92 5 - 7.4-18.2 HE2 LYS 24 - HD2 LYS 36 far 5 90 5 - 6.3-25.9 HE2 LYS 36 - HD2 LYS 24 far 4 89 5 - 5.2-24.7 HE3 LYS 36 - HD2 LYS 24 far 4 89 5 - 7.0-25.6 HE3 LYS 24 - HD2 LYS 36 far 4 89 5 - 7.6-25.8 HE2 LYS 31 - HD2 LYS 19 far 4 82 5 - 6.4-27.0 HE3 LYS 31 - HD3 LYS 19 far 4 81 5 - 7.5-29.3 HE2 LYS 31 - HD3 LYS 19 far 4 79 5 - 6.7-28.5 HB3 ASN 116 - HD3 LYS 24 far 4 75 5 - 6.5-36.1 HB3 ASN 121 - HD2 LYS 95 far 4 72 5 - 6.6-11.6 HB3 ASN 121 - HD3 LYS 95 far 4 70 5 - 6.3-11.9 HE2 LYS 31 - HD3 LYS 36 lone 3 90 35 10 4.3-13.8 10766/10837=3...(3) HB3 ASN 121 - HD3 LYS 24 far 3 65 5 - 5.3-34.8 HB3 ASN 121 - HD2 LYS 24 far 3 62 5 - 6.7-35.7 HE2 LYS 31 - HD2 LYS 36 lone 3 89 30 11 3.1-14.2 10766/10837=3...(3) HE3 LYS 31 - HD3 LYS 36 lone 3 92 30 10 4.8-13.8 10840/10837=3...(3) HE3 LYS 31 - HD2 LYS 36 lone 2 90 25 10 3.6-14.4 10840/10837=3...(3) HB2 CYS 45 - HD3 LYS 24 far 0 79 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 100 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 84 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 98 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 85 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 82 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 96 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 79 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 71 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 90 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 65 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 90 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 62 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 75 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 94 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 82 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 82 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 79 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 60 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 97 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 77 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 65 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 855 from aliabs.peaks (4.27, 1.66, 28.90 ppm; 6.80 A): 32 out of 174 assignments used, quality = 1.00: * HA LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.9 5.2=100 HA LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-5.4 5.0=100 HA LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.0-5.4 5.2=100 HA LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.1-5.1 5.0=100 HA LYS 36 + HD3 LYS 36 OK 85 85 100 100 3.0-5.3 5.3=100 HA LYS 36 + HD2 LYS 36 OK 84 84 100 100 3.5-5.3 5.3=100 HA ARG 23 + HD2 LYS 24 OK 83 92 95 96 3.9-8.4 424/5.9=84, ~821=16...(24) HA THR 25 + HD3 LYS 26 OK 80 81 100 100 4.5-8.0 582/5.7=69, 11128/3.5=33...(22) HA LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.0-4.5 5.2=100 HA THR 25 + HD2 LYS 26 OK 78 83 95 99 3.7-8.6 582/5.7=69, 11128/3.5=33...(22) HA ARG 23 + HD3 LYS 24 OK 78 90 90 96 3.5-8.6 424/5.9=84, ~821=16...(26) HA GLN 27 + HD2 LYS 26 OK 75 76 100 100 4.9-7.8 ~6264=55, 3.0/6267=45...(27) HA LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.0-4.8 5.2=100 HA THR 25 + HD2 LYS 24 OK 74 74 100 100 2.7-7.9 ~6234=60, ~6235=47...(26) HA GLN 27 + HD3 LYS 26 OK 74 74 100 100 4.8-8.0 ~6264=55, 3.0/6267=45...(27) HA THR 18 + HD2 LYS 19 OK 73 73 100 100 2.6-7.9 226/6.2=80, 10686/3.0=68...(16) HA THR 25 + HD3 LYS 24 OK 72 72 100 100 3.3-8.1 ~6234=60, ~6235=47...(26) HA THR 18 + HD3 LYS 19 OK 69 69 100 100 4.3-7.5 226/6.2=80, 10686/3.0=68...(16) HA LYS 26 + HD3 LYS 31 OK 60 100 60 100 4.2-13.7 790/3.5=10, 822/2.9=8...(225) HA LYS 26 + HD2 LYS 31 OK 60 100 60 100 2.5-14.0 790/3.5=10, 822/2.9=8...(207) HA LYS 31 + HD3 LYS 26 OK 60 99 60 100 4.2-17.5 3.0/6336=11, 6342/6348=9...(243) HA ARG 23 + HD2 LYS 26 OK 58 99 70 83 3.1-12.9 6240/6237=6, 424/5.7=5...(98) HA LYS 31 + HD2 LYS 26 OK 55 100 55 100 4.7-17.2 3.0/6336=10...(246) HA ARG 23 + HD3 LYS 26 OK 51 97 60 88 3.6-13.1 4.9/11449=22...(92) HA LEU 22 + HD2 LYS 24 OK 51 94 80 68 2.8-10.2 11967/3.0=22...(13) HA LEU 22 + HD3 LYS 24 OK 47 92 75 69 3.9-9.9 11967/3.0=22...(13) HA LYS 19 + HD3 LYS 24 OK 46 93 50 99 2.2-14.1 822/3.0=7, ~281=6...(181) HA LYS 19 + HD2 LYS 24 OK 42 95 45 99 3.3-14.3 822/3.0=7, ~281=6...(213) HA LYS 31 + HD3 LYS 36 OK 25 95 50 53 5.5-11.8 6342/6347=13...(9) HA LYS 36 + HD2 LYS 26 OK 23 93 30 84 4.9-28.2 ~1004=10, ~1003=10...(66) HA LYS 36 + HD3 LYS 26 OK 23 92 30 84 5.8-27.5 ~1004=10, ~1003=10...(66) HA LYS 31 + HD2 LYS 36 OK 22 94 45 53 4.5-11.5 6342/6347=13...(9) HA LEU 22 - HD2 LYS 26 poor 20 100 20 - 5.5-15.0 HA LEU 22 - HD3 LYS 26 poor 20 99 20 - 6.5-14.0 HA ARG 23 - HD3 LYS 31 poor 20 99 20 - 6.2-17.8 HA ALA 15 - HD3 LYS 31 poor 20 98 20 - 5.3-25.6 HA ARG 23 - HD2 LYS 31 poor 20 98 20 - 5.6-16.4 HA ALA 28 - HD3 LYS 31 poor 19 68 35 81 5.2-12.0 ~10771=42, 3.0/10771=41...(23) HA LYS 26 - HD3 LYS 24 poor 18 93 40 49 4.6-10.7 2.9/6254=7, ~6255=6...(18) HA ALA 28 - HD2 LYS 31 poor 16 67 30 81 4.6-12.8 3.0/10771=51, ~10771=35...(22) HA ALA 16 - HD2 LYS 19 poor 16 78 20 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 15 99 15 - 6.3-29.1 HA GLN 61 - HD3 LYS 31 far 15 98 15 - 6.0-23.4 HA ALA 21 - HD2 LYS 19 poor 15 49 30 - 6.7-11.4 HA ALA 16 - HD3 LYS 19 poor 15 73 20 - 6.7-12.6 HA THR 18 - HD3 LYS 31 far 14 97 15 - 4.8-24.1 HA GLN 27 - HD2 LYS 31 poor 14 75 35 55 4.9-12.0 3.6/10771=48, 3.0/6266=5, ~648=1 HA ARG 23 - HD3 LYS 19 poor 14 72 20 - 6.1-16.1 HA LYS 26 - HD2 LYS 24 poor 14 94 30 50 6.0-10.6 2.9/6255=8, ~6255=6...(19) HA THR 25 - HD3 LYS 19 poor 14 55 25 - 5.3-20.4 HA ARG 23 - HD2 LYS 36 far 14 91 15 - 7.6-24.0 HA GLN 27 - HD2 LYS 36 poor 13 66 20 - 5.6-17.4 HA LYS 36 - HD3 LYS 24 far 12 83 15 - 7.6-27.9 HA THR 25 - HD2 LYS 19 poor 12 59 20 - 4.9-18.6 HA GLN 27 - HD3 LYS 31 poor 11 76 30 50 5.8-11.4 3.6/10771=39, ~6266=4...(8) HA THR 25 - HD3 LYS 36 far 11 74 15 - 5.9-22.2 HA LEU 22 - HD3 LYS 19 far 11 74 15 - 6.5-12.8 HA THR 25 - HD2 LYS 36 far 11 73 15 - 4.6-21.6 HA ALA 28 - HD2 LYS 26 far 10 68 15 - 4.8-10.6 HA GLN 27 - HD3 LYS 36 far 10 67 15 - 4.1-18.3 HA LYS 19 - HD2 LYS 26 far 10 100 10 - 7.7-20.2 HA LYS 19 - HD2 LYS 31 far 10 100 10 - 7.8-23.5 HA ALA 28 - HD3 LYS 26 far 10 66 15 - 6.0-9.9 HA ALA 109 - HD2 LYS 26 far 10 99 10 - 6.1-34.6 HA ALA 16 - HD2 LYS 31 far 10 99 10 - 4.9-27.6 HA GLN 61 - HD2 LYS 26 far 10 98 10 - 4.2-27.0 HA ALA 109 - HD3 LYS 26 far 10 98 10 - 4.8-33.6 HA ALA 108 - HD3 LYS 26 far 10 98 10 - 6.2-32.2 HA ALA 15 - HD2 LYS 31 far 10 97 10 - 5.7-24.6 HA GLN 61 - HD2 LYS 31 far 10 97 10 - 6.6-24.1 HA GLN 61 - HD3 LYS 26 far 10 97 10 - 4.2-26.3 HA THR 18 - HD2 LYS 31 far 10 96 10 - 4.8-23.0 HA LYS 26 - HD3 LYS 36 far 9 94 10 - 7.2-21.5 HA ALA 21 - HD3 LYS 36 far 9 62 15 - 5.2-27.3 HA ALA 16 - HD2 LYS 24 far 9 93 10 - 7.2-19.6 HA ALA 16 - HD3 LYS 24 far 9 91 10 - 6.6-19.1 HA GLN 61 - HD2 LYS 24 far 9 91 10 - 7.5-26.2 HA ALA 28 - HD2 LYS 24 far 9 60 15 - 6.3-14.3 HA THR 18 - HD3 LYS 36 far 9 89 10 - 6.8-33.0 HA THR 18 - HD2 LYS 36 far 9 88 10 - 6.7-32.3 HA ALA 28 - HD3 LYS 24 far 9 58 15 - 6.5-13.5 HA LYS 36 - HD2 LYS 24 far 8 85 10 - 6.0-27.3 HA ALA 12 - HD2 LYS 24 far 8 83 10 - 7.6-24.0 HA ALA 12 - HD3 LYS 24 far 8 81 10 - 6.8-23.7 HA LYS 31 - HD2 LYS 19 far 8 79 10 - 2.7-27.6 HA LYS 26 - HD2 LYS 19 far 8 79 10 - 6.8-20.5 HA LEU 22 - HD2 LYS 19 far 8 78 10 - 6.1-11.8 HA LYS 26 - HD3 LYS 19 far 7 75 10 - 7.0-22.3 HA ALA 21 - HD2 LYS 26 far 7 71 10 - 7.2-16.4 HA ALA 21 - HD3 LYS 19 far 7 46 15 - 5.9-10.7 HA GLN 27 - HD2 LYS 24 far 7 67 10 - 5.6-13.6 HA GLN 27 - HD3 LYS 24 far 7 65 10 - 4.5-14.4 HA LYS 26 - HD2 LYS 36 poor 6 94 25 27 7.0-20.6 10816/10842=4...(3) HA ALA 21 - HD2 LYS 36 far 6 62 10 - 5.3-26.7 HA LYS 19 - HD3 LYS 31 far 5 100 5 - 7.4-24.1 HA LYS 19 - HD3 LYS 26 far 5 99 5 - 6.6-20.4 HA ALA 108 - HD2 LYS 26 far 5 99 5 - 4.8-33.2 HA LEU 22 - HD2 LYS 31 far 5 99 5 - 8.1-19.6 HA ALA 15 - HD3 LYS 26 far 5 97 5 - 8.1-24.3 HA THR 18 - HD3 LYS 26 far 5 95 5 - 8.2-20.7 HA LYS 31 - HD2 LYS 24 far 5 95 5 - 7.8-17.9 HA ALA 110 - HD2 LYS 26 far 5 93 5 - 6.6-36.4 HA LYS 36 - HD3 LYS 31 far 5 93 5 - 7.6-15.2 HA ALA 16 - HD3 LYS 36 far 5 93 5 - 7.2-32.0 HA LYS 36 - HD2 LYS 31 far 5 92 5 - 7.0-16.1 HA ALA 108 - HD2 LYS 24 far 5 92 5 - 8.1-41.9 HA ALA 110 - HD3 LYS 26 far 5 92 5 - 4.9-35.3 HA ARG 23 - HD3 LYS 36 far 5 92 5 - 7.6-24.8 HA ALA 15 - HD2 LYS 24 far 5 91 5 - 5.4-22.2 HA ALA 108 - HD3 LYS 24 far 5 91 5 - 7.5-40.8 HA ALA 15 - HD3 LYS 24 far 4 89 5 - 5.0-21.8 HA GLN 61 - HD3 LYS 24 far 4 89 5 - 6.8-25.3 HA ALA 28 - HD3 LYS 19 far 4 44 10 - 7.6-24.0 HA SER 74 - HD3 LYS 31 far 4 87 5 - 7.2-24.8 HA LYS 31 - HD3 LYS 19 far 4 75 5 - 3.5-28.9 HA GLN 61 - HD2 LYS 19 far 4 75 5 - 7.8-32.5 HA ALA 21 - HD3 LYS 26 far 3 69 5 - 5.8-15.9 HA ALA 110 - HD2 LYS 19 far 3 69 5 - 6.8-53.6 HA ALA 110 - HD3 LYS 19 far 3 65 5 - 8.1-52.0 HA SER 124 - HD2 LYS 95 far 3 62 5 - 7.7-13.6 HA ALA 28 - HD3 LYS 36 far 3 60 5 - 8.2-16.0 HA THR 25 - HD2 LYS 31 lone 3 82 35 10 4.3-15.2 3.6/534=3, ~6235=1 HA THR 18 - HD2 LYS 24 lone 3 89 30 11 3.6-15.2 3.6/6154=3, 10686/277=2 HA THR 18 - HD3 LYS 24 lone 3 87 30 11 2.0-15.2 3.6/6154=4, 10686/307=1 HA GLN 27 - HD2 LYS 19 far 3 53 5 - 7.5-22.5 HA THR 25 - HD3 LYS 31 lone 3 83 30 11 4.3-14.5 3.6/534=3, ~6235=1 HA ALA 28 - HD2 LYS 19 far 2 47 5 - 7.3-23.0 HA ALA 21 - HD3 LYS 24 lone 2 61 60 5 3.1-12.2 HA ALA 21 - HD2 LYS 24 lone 2 62 55 5 3.9-12.1 HA ALA 12 - HD3 LYS 19 lone 1 64 45 4 3.2-20.9 HA ALA 12 - HD2 LYS 19 lone 1 68 40 4 4.1-20.6 HA ALA 15 - HD2 LYS 19 lone 1 75 35 4 4.3-14.9 HA ALA 15 - HD3 LYS 19 lone 1 71 35 4 4.4-14.7 HA ARG 23 - HD2 LYS 19 lone 1 76 30 3 7.0-14.4 HA ALA 15 - HD2 LYS 26 far 0 98 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 86 0 - 8.3-23.9 HA GLN 27 - HD3 LYS 19 far 0 50 0 - 8.3-23.6 HA GLN 61 - HD3 LYS 19 far 0 71 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 91 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 93 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 92 0 - 8.4-31.3 HA THR 25 - HD2 LYS 95 far 0 79 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 91 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 90 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 93 0 - 8.5-27.7 HA THR 25 - HD3 LYS 95 far 0 81 0 - 8.5-30.6 HA ALA 109 - HD3 LYS 19 far 0 73 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 95 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 77 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 96 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 70 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 94 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 98 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 73 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 100 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 71 0 - 9.3-22.5 HA ALA 28 - HD2 LYS 36 far 0 59 0 - 9.4-15.3 HA SER 124 - HD3 LYS 95 far 0 64 0 - 9.5-12.9 HA ALA 108 - HD3 LYS 31 far 0 99 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 98 0 - 9.5-32.1 HA PHE 87 - HD2 LYS 95 far 0 99 0 - 9.6-13.0 HA SER 74 - HD2 LYS 95 far 0 84 0 - 9.6-12.5 HA ALA 12 - HD2 LYS 31 far 0 91 0 - 9.6-26.0 HA SER 74 - HD3 LYS 95 far 0 85 0 - 9.6-11.9 HA ALA 12 - HD3 LYS 31 far 0 92 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 77 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 92 0 - 9.7-44.1 HA ALA 28 - HD2 LYS 95 far 0 65 0 - 9.8-28.9 HB THR 115 - HD3 LYS 26 far 0 99 0 - 9.8-33.3 HA ALA 110 - HD3 LYS 95 far 0 92 0 - 9.9-28.3 HA ALA 16 - HD2 LYS 26 far 0 99 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 69 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 94 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 90 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 856 from aliabs.peaks (1.74, 1.66, 28.90 ppm; 4.74 A): 14 out of 67 assignments used, quality = 1.00: * HB2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.9-4.2 3.5=100 HB2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-4.2 3.5=100 HB2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 1.9-4.2 3.5=100 HB2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.0-4.2 3.5=100 HB2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.2-4.1 3.9=100 HB2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.5-4.2 3.9=100 HB2 LYS 31 + HD3 LYS 26 OK 54 99 55 98 2.4-15.6 639/2.9=8, 628/2.9=8...(164) HB2 LYS 31 + HD2 LYS 26 OK 44 100 45 99 3.3-16.0 639/2.9=8, 628/2.9=8...(183) HB2 LYS 26 + HD2 LYS 31 OK 40 100 40 99 4.5-13.8 10770/10771=19...(197) HB2 LYS 19 + HD3 LYS 24 OK 27 93 30 96 4.7-15.4 823/3.0=5, 1.8/2632=4...(146) HB2 LYS 26 + HD3 LYS 31 OK 25 100 25 99 4.1-13.7 10770/10771=16...(221) HB2 ARG 23 + HD3 LYS 26 OK 23 97 30 78 3.3-13.9 3.7/11449=16...(45) HB2 LYS 24 - HD3 LYS 19 poor 19 75 25 - 2.7-16.8 HB2 ARG 23 - HD2 LYS 26 poor 17 98 25 68 2.0-13.7 ~11618=5, 433/5.7=4...(37) HB2 LYS 24 - HD2 LYS 19 poor 14 79 35 51 4.1-16.1 790/5.2=2, 805=2...(7) HB2 LYS 19 - HD2 LYS 24 far 14 95 15 - 3.7-16.1 HB2 ARG 23 - HD2 LYS 24 far 14 91 15 - 5.8-9.7 HB2 LYS 26 - HD2 LYS 36 far 9 94 10 - 5.6-20.8 HB2 ARG 23 - HD3 LYS 24 far 9 89 10 - 4.5-9.5 HB2 LYS 19 - HD3 LYS 31 far 5 100 5 - 4.6-23.5 HB2 LYS 24 - HD3 LYS 31 far 5 100 5 - 5.9-18.6 HB2 LYS 24 - HD2 LYS 31 far 5 100 5 - 4.7-17.2 HB2 LYS 24 - HD2 LYS 26 far 5 100 5 - 6.1-12.1 HB2 LYS 19 - HD2 LYS 26 far 5 100 5 - 6.2-21.7 HB2 LYS 19 - HD2 LYS 31 far 5 100 5 - 5.1-23.0 HB2 LYS 19 - HD3 LYS 26 far 5 99 5 - 5.6-21.9 HB2 ARG 23 - HD3 LYS 31 far 5 98 5 - 6.2-18.0 HB2 ARG 23 - HD2 LYS 31 far 5 97 5 - 5.5-17.1 HB2 LYS 24 - HD3 LYS 36 far 5 95 5 - 4.2-25.9 HB2 LYS 26 - HD2 LYS 24 far 5 94 5 - 3.6-12.6 HB2 LYS 24 - HD2 LYS 36 far 5 94 5 - 3.0-25.5 HB2 LYS 26 - HD3 LYS 36 far 5 94 5 - 6.1-21.8 HB2 LYS 31 - HD2 LYS 36 far 5 94 5 - 5.5-12.6 HB2 LYS 26 - HD3 LYS 24 far 5 93 5 - 2.0-12.6 HB2 LYS 31 - HD3 LYS 24 far 5 93 5 - 6.2-19.4 HB2 ARG 23 - HD3 LYS 36 far 5 91 5 - 5.5-23.2 HB2 ARG 23 - HD2 LYS 36 far 5 90 5 - 6.0-22.4 HB2 LYS 31 - HD2 LYS 19 far 4 79 5 - 4.9-28.2 HB2 LYS 31 - HD3 LYS 19 far 4 75 5 - 5.5-29.5 HB2 ARG 23 - HD2 LYS 19 far 0 75 0 - 6.4-15.0 HB2 LYS 31 - HD3 LYS 36 far 0 95 0 - 6.5-12.1 HG13 ILE 129 - HD2 LYS 95 far 0 99 0 - 6.5-11.1 HB2 LYS 26 - HD3 LYS 19 far 0 75 0 - 6.6-24.6 HG13 ILE 129 - HD3 LYS 95 far 0 100 0 - 6.6-9.8 HB2 LYS 31 - HD2 LYS 24 far 0 95 0 - 6.7-18.3 HG3 ARG 90 - HD3 LYS 95 far 0 99 0 - 7.0-10.9 HB2 LYS 26 - HD2 LYS 19 far 0 79 0 - 7.2-22.8 HB2 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.4-10.5 HB2 LYS 39 - HD3 LYS 36 far 0 76 0 - 7.5-15.4 HG3 ARG 90 - HD2 LYS 95 far 0 97 0 - 7.8-12.0 HB2 ARG 23 - HD3 LYS 19 far 0 71 0 - 8.0-15.0 HB2 LYS 39 - HD3 LYS 24 far 0 74 0 - 8.5-31.4 HB2 LYS 39 - HD2 LYS 36 far 0 75 0 - 8.9-14.2 HB3 LEU 70 - HD2 LYS 36 far 0 52 0 - 9.0-14.8 HB3 LEU 70 - HD3 LYS 36 far 0 52 0 - 9.0-15.3 HB2 LYS 24 - HD3 LYS 95 far 0 100 0 - 9.1-34.0 HB2 LYS 19 - HD3 LYS 36 far 0 95 0 - 9.2-30.9 HB3 LEU 70 - HD2 LYS 31 far 0 59 0 - 9.3-20.2 HB3 LEU 70 - HD3 LYS 95 far 0 59 0 - 9.3-14.6 HB3 LEU 70 - HD3 LYS 31 far 0 60 0 - 9.6-19.5 HG LEU 100 - HD2 LYS 31 far 0 56 0 - 9.6-21.5 HB2 LYS 24 - HD2 LYS 95 far 0 99 0 - 9.7-34.8 HB2 LYS 39 - HD2 LYS 19 far 0 61 0 - 9.8-40.0 HG LEU 100 - HD3 LYS 31 far 0 57 0 - 9.9-21.8 HB2 LYS 39 - HD2 LYS 24 far 0 76 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 857 from aliabs.peaks (1.81, 1.66, 28.90 ppm; 5.73 A): 33 out of 84 assignments used, quality = 1.00: * HB3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.5-4.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.0-4.1 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-4.2 3.5=100 HB ILE 32 + HD2 LYS 36 OK 94 94 100 100 2.1-6.8 ~10901=57, ~10900=44...(69) HB2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.1-4.0 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.5-4.2 3.5=100 HB2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.0-4.2 3.5=100 HB ILE 32 + HD3 LYS 36 OK 90 95 95 100 2.3-8.3 ~10901=57, ~10900=44...(70) HB3 LYS 19 + HD2 LYS 19 OK 78 78 100 100 2.2-3.7 3.9=100 HB3 LYS 19 + HD3 LYS 19 OK 74 74 100 100 2.1-3.7 3.9=100 HB ILE 32 + HD3 LYS 31 OK 64 100 65 98 4.1-9.2 3.0/10763=15...(81) HB3 LYS 31 + HD2 LYS 26 OK 55 100 55 100 2.9-17.3 629/2.9=9, 6332/6336=8...(189) HB3 LYS 31 + HD3 LYS 26 OK 54 99 55 100 3.4-17.4 629/2.9=9, 6332/6336=9...(174) HB ILE 32 + HD2 LYS 31 OK 54 100 55 98 5.5-9.5 10752/5.2=14, 902/6.2=14...(79) HB ILE 32 + HD3 LYS 26 OK 48 99 50 97 4.0-17.6 ~10704=13, 3.0/10763=12...(71) HB3 LEU 98 + HD3 LYS 95 OK 48 59 85 95 3.6-8.7 2963/5.0=43, 3.0/3178=27...(26) HB3 LEU 98 + HD2 LYS 95 OK 46 57 85 95 4.7-9.5 2963/5.0=43, ~3178=21...(24) HB3 LYS 26 + HD3 LYS 31 OK 45 100 45 100 4.5-14.4 10769/10771=23...(248) HB3 ARG 23 + HD2 LYS 26 OK 44 99 55 81 2.9-14.2 ~11618=7, 442/5.7=7...(82) HB ILE 32 + HD2 LYS 26 OK 44 100 45 98 4.1-18.3 ~10767=16, 3.0/10763=13...(73) HB VAL 93 + HD3 LYS 95 OK 44 89 50 98 5.9-8.8 2.1/9828=82...(10) HB3 ARG 23 + HD3 LYS 26 OK 42 98 50 86 2.9-14.6 3.7/11449=21...(82) HB3 LYS 26 + HD2 LYS 31 OK 40 100 40 100 4.2-14.4 10769/10771=28...(240) HB3 LYS 19 + HD2 LYS 24 OK 37 94 40 99 2.0-16.0 ~823=5, 526/3.0=5...(186) HB3 LYS 19 + HD3 LYS 24 OK 36 92 40 98 3.5-15.3 ~823=5, 526/3.0=5...(152) HB2 LYS 36 + HD2 LYS 26 OK 28 100 35 81 5.1-27.9 ~1004=9, ~1003=9...(36) HB2 LYS 36 + HD3 LYS 26 OK 28 99 35 80 4.4-27.1 ~1004=9, ~1003=9...(36) HB3 ARG 23 + HD2 LYS 24 OK 26 93 35 80 5.9-9.2 6214/5.9=32, ~1018=7...(46) HB3 ARG 23 + HD3 LYS 24 OK 25 91 35 79 5.2-9.3 6214/5.9=32, ~1018=7...(41) HB VAL 93 + HD2 LYS 95 OK 21 87 25 97 6.0-10.4 ~9828=67, ~11324=45...(10) HB3 LYS 24 + HD2 LYS 19 OK 20 79 35 73 3.7-15.7 240/5.2=2, 2.9/828=2...(41) HB3 LYS 24 - HD3 LYS 19 poor 17 75 30 76 2.0-16.3 240/5.2=2, 2.9/828=2...(60) HB3 LYS 24 - HD2 LYS 26 far 15 100 15 - 6.4-12.7 HB3 ARG 23 - HD3 LYS 31 far 15 99 15 - 6.2-17.9 HB3 ARG 23 - HD2 LYS 31 far 15 99 15 - 6.2-17.1 HB2 LYS 36 - HD3 LYS 31 far 10 100 10 - 5.9-14.3 HB3 LYS 24 - HD3 LYS 36 far 9 94 10 - 5.5-25.2 HB3 LYS 26 - HD2 LYS 24 far 9 94 10 - 5.1-12.6 HB3 LYS 26 - HD3 LYS 36 far 9 94 10 - 6.0-22.1 HB3 LYS 24 - HD2 LYS 36 far 9 94 10 - 4.2-24.7 HB3 LYS 31 - HD3 LYS 24 far 9 93 10 - 6.8-18.8 HB3 LYS 26 - HD3 LYS 24 far 9 93 10 - 3.7-12.3 HB3 ARG 23 - HD2 LYS 36 far 9 92 10 - 5.8-22.3 HB3 LYS 31 - HD2 LYS 19 far 8 79 10 - 3.6-27.6 HB3 LYS 31 - HD2 LYS 36 poor 8 94 25 33 6.7-11.9 4.6/6347=8, 9824/10842=3 HB3 LYS 26 - HD2 LYS 36 poor 6 94 25 25 6.5-21.1 10898/10837=3...(5) HB3 LYS 24 - HD3 LYS 31 far 5 100 5 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.4-17.9 HB3 LYS 19 - HD3 LYS 31 far 5 100 5 - 5.9-24.7 HB3 LYS 19 - HD2 LYS 26 far 5 100 5 - 6.5-21.2 HB2 LYS 36 - HD2 LYS 31 far 5 99 5 - 5.0-15.5 HB3 LYS 19 - HD2 LYS 31 far 5 99 5 - 6.0-24.2 HB3 LYS 19 - HD3 LYS 26 far 5 99 5 - 6.5-21.5 HB3 LYS 31 - HD3 LYS 36 far 5 95 5 - 7.1-13.3 HB2 LYS 36 - HD2 LYS 24 far 5 94 5 - 5.7-27.6 HB3 ARG 23 - HD3 LYS 36 far 5 93 5 - 4.9-23.1 HB ILE 32 - HD3 LYS 24 far 5 93 5 - 7.1-19.3 HB2 LYS 36 - HD3 LYS 24 far 5 92 5 - 6.9-28.2 HB3 ARG 23 - HD2 LYS 19 far 4 78 5 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 19 far 4 75 5 - 4.1-28.8 HB3 LYS 26 - HD3 LYS 19 far 4 75 5 - 6.9-24.6 HB3 LEU 98 - HD2 LYS 24 far 3 52 5 - 4.6-36.8 HB3 LEU 98 - HD3 LYS 24 far 3 51 5 - 4.2-35.7 HB3 LYS 26 - HD2 LYS 19 far 0 79 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 68 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 95 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 95 far 0 100 0 - 7.6-33.5 HB3 LYS 24 - HD3 LYS 26 far 0 99 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 95 far 0 75 0 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 95 far 0 77 0 - 7.8-11.4 HB ILE 32 - HD3 LYS 19 far 0 75 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 73 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 79 0 - 8.1-28.1 HB3 LYS 24 - HD2 LYS 95 far 0 99 0 - 8.2-34.6 HB3 LEU 122 - HD2 LYS 24 far 0 70 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 59 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 95 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 83 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 78 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 63 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 96 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 77 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 858 from aliabs.peaks (1.46, 1.66, 28.90 ppm; 5.63 A): 23 out of 74 assignments used, quality = 1.00: * HG2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.5-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HD2 LYS 26 OK 68 68 100 100 2.2-3.0 2.9=100 HG2 LYS 26 + HD3 LYS 26 OK 66 66 100 100 2.2-2.9 2.9=100 QB ALA 92 + HD3 LYS 95 OK 64 64 100 100 3.6-6.8 2.1/9941=43, ~9941=42...(27) HG3 LYS 19 + HD2 LYS 19 OK 61 61 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 57 57 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD2 LYS 26 OK 50 100 50 100 3.5-18.0 823/3.5=7, 1019/3.5=6...(244) HG2 LYS 31 + HD3 LYS 26 OK 50 99 50 100 4.2-17.6 823/3.5=7, 5.0/6336=7...(238) HG13 ILE 32 + HD2 LYS 36 OK 49 54 90 100 4.2-7.8 ~10901=45, 3.2/10837=35...(87) HG13 ILE 32 + HD3 LYS 36 OK 44 55 80 100 3.6-8.5 ~10901=45, ~10900=35...(86) QB ALA 92 + HD2 LYS 95 OK 44 62 70 100 3.1-7.6 ~9941=44, ~9941=42...(25) HG13 ILE 32 + HD3 LYS 31 OK 42 63 70 96 2.0-10.3 6333/6.2=14, ~9824=13...(63) HG13 ILE 32 + HD3 LYS 26 OK 34 61 60 92 2.0-15.6 ~10704=15, ~10842=11...(62) HG13 ILE 32 + HD2 LYS 26 OK 33 63 55 95 2.5-16.4 ~10767=19, ~10704=15...(73) HG13 ILE 32 + HD2 LYS 31 OK 30 62 50 96 3.3-9.3 6333/6.2=14, ~9824=13...(77) HG3 LYS 19 + HD2 LYS 24 OK 26 76 35 97 4.4-17.3 3.0/2631=4, ~823=3...(181) HG3 LYS 19 + HD3 LYS 24 OK 25 74 35 95 4.4-17.3 3.0/2632=4, ~823=3...(152) HG2 LYS 26 + HD2 LYS 31 OK 20 67 30 100 5.0-16.2 ~639=6, ~804=6, ~514=6...(237) HG3 LYS 36 - HD3 LYS 26 poor 20 99 25 80 3.6-25.1 ~1004=7, ~1003=7...(44) HG3 LYS 24 - HD2 LYS 19 poor 20 75 35 75 2.7-16.7 823/3.9=5, 822/5.2=5...(24) HG3 LYS 24 - HD3 LYS 19 poor 19 71 35 78 2.0-17.8 823/3.9=5, 822/5.2=5...(34) HG2 LYS 31 - HD2 LYS 36 poor 19 94 20 - 6.0-13.4 HG2 LYS 26 - HD3 LYS 31 poor 17 68 25 - 4.2-16.2 HG3 LYS 36 - HD2 LYS 26 far 15 100 15 - 5.1-26.0 HG3 LYS 36 - HD3 LYS 31 far 15 100 15 - 5.6-12.6 HG3 LYS 36 - HD2 LYS 31 far 15 100 15 - 5.8-13.8 HG3 LYS 24 - HD2 LYS 26 far 15 98 15 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 14 93 15 - 6.0-17.5 HG2 LYS 26 - HD2 LYS 24 poor 12 60 20 - 5.1-12.8 HG2 LYS 26 - HD3 LYS 36 poor 12 60 20 - 5.7-24.0 HG2 LYS 26 - HD2 LYS 36 poor 12 59 20 - 5.1-23.1 QB ALA 52 - HD2 LYS 24 far 10 67 15 - 4.8-24.6 QB ALA 52 - HD3 LYS 24 far 10 65 15 - 5.3-23.6 HG2 LYS 31 - HD3 LYS 36 far 9 95 10 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 9 95 10 - 5.5-17.2 HG2 LYS 26 - HD3 LYS 24 far 9 58 15 - 3.7-12.2 HG2 LYS 31 - HD2 LYS 19 far 8 79 10 - 5.7-26.4 HG3 LYS 24 - HD2 LYS 31 far 5 97 5 - 6.7-17.1 HG3 LYS 24 - HD3 LYS 26 far 5 97 5 - 5.9-11.9 HG3 LYS 36 - HD2 LYS 24 far 5 94 5 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 24 far 5 93 5 - 6.5-26.8 HG3 LYS 24 - HD3 LYS 36 far 5 91 5 - 6.1-24.1 HG3 LYS 24 - HD2 LYS 36 far 5 90 5 - 5.1-23.7 HG3 LYS 19 - HD3 LYS 31 far 4 85 5 - 6.4-26.0 HG3 LYS 19 - HD2 LYS 31 far 4 84 5 - 6.8-25.5 QB ALA 52 - HD2 LYS 26 far 4 76 5 - 6.6-24.5 HG2 LYS 31 - HD3 LYS 19 far 4 75 5 - 5.6-27.7 HG13 ILE 32 - HD2 LYS 19 far 2 43 5 - 6.7-25.6 HG13 ILE 32 - HD3 LYS 19 far 2 40 5 - 6.2-26.5 HG13 ILE 32 - HD3 LYS 24 far 0 53 0 - 7.2-17.5 HG13 ILE 32 - HD2 LYS 24 far 0 55 0 - 7.4-16.8 HG3 LYS 24 - HD3 LYS 95 far 0 97 0 - 7.8-36.0 QB ALA 52 - HD2 LYS 31 far 0 75 0 - 7.8-23.8 HG3 LYS 19 - HD3 LYS 26 far 0 83 0 - 7.8-23.0 QB ALA 52 - HD3 LYS 26 far 0 74 0 - 7.9-24.2 HG3 LYS 24 - HD3 LYS 31 far 0 98 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 96 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 85 0 - 8.1-22.8 QB ALA 52 - HD2 LYS 36 far 0 66 0 - 8.4-17.8 QB ALA 52 - HD2 LYS 19 far 0 53 0 - 8.4-30.3 QB ALA 52 - HD3 LYS 31 far 0 76 0 - 8.6-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 44 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 47 0 - 8.9-23.8 QB ALA 52 - HD3 LYS 36 far 0 67 0 - 9.0-17.1 QB ALA 52 - HD3 LYS 19 far 0 50 0 - 9.2-30.7 QB ALA 92 - HD3 LYS 24 far 0 56 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 57 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 79 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 75 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 859 from aliabs.peaks (1.39, 1.66, 28.90 ppm; 4.98 A): 22 out of 148 assignments used, quality = 1.00: * HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 98 98 100 100 2.2-2.9 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 93 93 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 89 89 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 68 68 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 64 64 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 49 99 50 99 3.0-16.8 834/3.5=6, 5.0/6336=5...(222) HG3 LYS 31 + HD2 LYS 26 OK 35 100 35 100 4.8-17.0 834/3.5=6, 835/3.5=5...(231) HG2 LYS 19 + HD3 LYS 24 OK 30 81 40 91 2.7-16.9 3.0/2632=3, ~823=3...(117) QB ALA 28 + HD3 LYS 31 OK 27 100 45 61 2.9-9.7 6304/10771=28, ~10771=25...(9) QB ALA 34 + HD2 LYS 36 OK 27 52 75 69 4.7-8.0 5.0/10775=31...(9) QB ALA 28 + HD2 LYS 31 OK 25 100 40 62 2.1-10.6 6304/10771=35, ~10771=21...(10) HG3 LYS 26 + HD2 LYS 31 OK 25 99 25 99 3.6-15.7 639/3.5=8, 640/3.5=6...(199) QB ALA 34 + HD3 LYS 36 OK 22 52 65 64 4.1-8.0 5.0/10775=24...(9) HG3 LYS 26 - HD3 LYS 31 poor 20 100 20 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 poor 20 100 20 - 3.8-22.6 QB ALA 15 - HD2 LYS 31 poor 20 99 20 - 3.6-21.3 QB ALA 29 - HD2 LYS 26 poor 20 99 20 - 4.7-11.1 QB ALA 12 - HD3 LYS 19 poor 20 44 45 - 2.1-15.8 HG2 LYS 19 - HD2 LYS 24 poor 20 83 25 94 3.0-17.8 3.0/2631=4, ~823=3...(149) HG LEU 96 - HD3 LYS 95 poor 19 94 20 - 5.8-9.4 HG2 LYS 24 - HD2 LYS 19 poor 19 75 25 - 3.2-16.1 HG3 LYS 26 - HD3 LYS 24 poor 18 92 20 - 3.7-11.0 QB ALA 29 - HD2 LYS 36 poor 18 92 20 - 5.2-9.9 HG2 LYS 24 - HD3 LYS 19 poor 18 71 25 - 2.1-17.8 QB ALA 15 - HD2 LYS 19 poor 16 79 20 - 3.7-12.8 QB ALA 29 - HD3 LYS 31 poor 15 99 30 51 3.0-9.8 ~10782=29, 3.7/7749=8...(12) QB ALA 28 - HD2 LYS 26 far 15 100 15 - 5.4-9.5 QB ALA 28 - HD3 LYS 26 far 15 99 15 - 6.2-9.2 QB ALA 29 - HD2 LYS 31 poor 15 98 30 51 2.5-9.8 ~10782=29, 3.7/7749=6...(11) HB2 LEU 96 - HD3 LYS 95 far 15 99 15 - 5.9-9.0 HG3 LYS 31 - HD3 LYS 36 far 14 95 15 - 4.6-13.4 HG3 LYS 31 - HD2 LYS 36 far 14 94 15 - 4.8-13.4 HG LEU 96 - HD2 LYS 95 far 14 93 15 - 5.0-10.2 QB ALA 29 - HD3 LYS 36 far 14 92 15 - 5.2-10.6 QB ALA 16 - HD3 LYS 24 far 14 91 15 - 5.7-16.6 QB ALA 15 - HD3 LYS 19 far 11 74 15 - 3.8-12.9 QB ALA 109 - HD3 LYS 26 far 10 99 10 - 5.1-28.1 QB ALA 16 - HD3 LYS 31 far 10 99 10 - 6.3-25.2 QB ALA 108 - HD2 LYS 26 far 10 99 10 - 6.0-26.8 QB ALA 29 - HD3 LYS 26 far 10 98 10 - 4.5-11.4 HG3 LYS 26 - HD2 LYS 24 far 9 94 10 - 5.3-11.0 HG3 LYS 26 - HD3 LYS 36 far 9 94 10 - 5.9-23.8 HG3 LYS 26 - HD2 LYS 36 far 9 93 10 - 4.8-22.9 QB ALA 29 - HD3 LYS 24 far 9 91 10 - 5.3-12.6 HB2 LEU 42 - HD3 LYS 36 far 9 88 10 - 3.8-11.6 QB ALA 12 - HD3 LYS 24 far 9 58 15 - 4.3-18.1 HB2 LEU 42 - HD2 LYS 36 far 9 87 10 - 4.0-11.4 QB ALA 16 - HD2 LYS 19 far 8 78 10 - 4.8-11.3 QB ALA 28 - HD3 LYS 19 far 8 75 10 - 4.6-21.9 QB ALA 12 - HD2 LYS 24 far 6 60 10 - 5.6-18.4 QB ALA 110 - HD2 LYS 26 far 5 100 5 - 3.6-30.2 QB ALA 109 - HD2 LYS 26 far 5 100 5 - 4.4-27.7 QB ALA 110 - HD3 LYS 26 far 5 99 5 - 2.4-29.3 HG2 LYS 36 - HD2 LYS 26 far 5 100 5 - 5.9-25.5 HG2 LYS 36 - HD2 LYS 31 far 5 99 5 - 6.2-13.5 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 5.3-24.0 HG2 LYS 36 - HD3 LYS 26 far 5 99 5 - 5.1-24.7 QB ALA 108 - HD3 LYS 26 far 5 98 5 - 4.8-26.0 HG2 LYS 24 - HD2 LYS 26 far 5 98 5 - 5.8-11.1 HB2 LEU 96 - HD2 LYS 95 far 5 98 5 - 5.6-9.4 HG2 LYS 24 - HD3 LYS 26 far 5 97 5 - 5.2-11.4 HG3 LYS 95 - HD2 LYS 24 far 5 95 5 - 3.4-37.4 HG3 LYS 31 - HD2 LYS 24 far 5 95 5 - 6.0-16.9 HG2 LYS 95 - HD2 LYS 24 far 5 94 5 - 4.4-37.2 QB ALA 15 - HD2 LYS 24 far 5 94 5 - 4.1-17.3 HG3 LYS 95 - HD3 LYS 24 far 5 93 5 - 3.7-36.4 QB ALA 16 - HD2 LYS 24 far 5 93 5 - 4.9-17.1 QB ALA 108 - HD2 LYS 24 far 5 93 5 - 5.1-33.9 HG3 LYS 31 - HD3 LYS 24 far 5 93 5 - 5.9-16.5 HG2 LYS 95 - HD3 LYS 24 far 5 93 5 - 4.1-36.2 QB ALA 15 - HD3 LYS 24 far 5 92 5 - 3.5-17.1 QB ALA 29 - HD2 LYS 24 far 5 92 5 - 5.3-13.3 QB ALA 108 - HD3 LYS 24 far 5 91 5 - 4.5-33.1 HG2 LYS 24 - HD2 LYS 36 far 5 90 5 - 5.3-25.5 HG3 LYS 31 - HD2 LYS 19 far 4 79 5 - 4.6-25.3 QB ALA 28 - HD2 LYS 19 far 4 79 5 - 5.9-21.1 HG3 LYS 31 - HD3 LYS 19 far 4 75 5 - 4.1-26.6 QB ALA 16 - HD3 LYS 19 far 4 73 5 - 5.4-11.1 QB ALA 12 - HD3 LYS 31 far 3 68 5 - 6.4-22.7 QB ALA 34 - HD2 LYS 26 far 3 60 5 - 4.9-20.3 QB ALA 34 - HD3 LYS 26 far 3 58 5 - 6.2-20.6 QB ALA 28 - HD2 LYS 24 lone 2 95 25 8 4.4-13.3 11150/11832=2...(3) QB ALA 28 - HD3 LYS 24 lone 2 93 25 8 4.8-12.7 11150/11832=2...(3) QB ALA 12 - HD2 LYS 19 lone 1 47 45 3 2.2-15.1 HG2 LYS 24 - HD3 LYS 36 far 0 91 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 75 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 67 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 100 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 93 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 94 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 79 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 91 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 98 0 - 7.0-17.3 QB ALA 34 - HD2 LYS 24 far 0 52 0 - 7.0-21.4 HG2 LYS 24 - HD2 LYS 31 far 0 97 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 73 0 - 7.0-21.3 QB ALA 34 - HD3 LYS 24 far 0 51 0 - 7.1-22.6 QB ALA 109 - HD2 LYS 19 far 0 79 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 99 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 100 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 94 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 92 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 99 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 92 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 77 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 99 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 99 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 75 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 90 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 97 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 93 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 92 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 93 0 - 8.2-25.1 QB ALA 34 - HD3 LYS 31 far 0 60 0 - 8.2-12.5 QB ALA 108 - HD3 LYS 31 far 0 99 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 97 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 95 0 - 8.2-14.4 QB ALA 34 - HD2 LYS 31 far 0 59 0 - 8.3-12.7 QB ALA 109 - HD2 LYS 24 far 0 94 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 94 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 92 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 98 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 99 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 98 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 96 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 73 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 78 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 74 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 99 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 79 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 100 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 78 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 59 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 83 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 94 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 60 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 94 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 93 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 92 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 860 from aliabs.peaks (1.65, 1.66, 28.90 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD3 LYS 95 + HD3 LYS 95 OK 99 99 - 100 HD2 LYS 95 + HD2 LYS 95 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 98 98 - 100 HD3 LYS 36 + HD3 LYS 36 OK 93 93 - 100 HD2 LYS 24 + HD2 LYS 24 OK 93 93 - 100 HD3 LYS 24 + HD3 LYS 24 OK 93 93 - 100 HD2 LYS 36 + HD2 LYS 36 OK 92 92 - 100 HD2 LYS 19 + HD2 LYS 19 OK 78 78 - 100 HD3 LYS 19 + HD3 LYS 19 OK 73 73 - 100 Reference assignment not found: HD2 LYS 31 - HD3 LYS 31 Peak 861 from aliabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 99 99 - 100 HD2 LYS 95 + HD2 LYS 95 OK 98 98 - 100 HD3 LYS 36 + HD3 LYS 36 OK 94 94 - 100 HD2 LYS 24 + HD2 LYS 24 OK 94 94 - 100 HD2 LYS 36 + HD2 LYS 36 OK 93 93 - 100 HD3 LYS 24 + HD3 LYS 24 OK 92 92 - 100 HD2 LYS 19 + HD2 LYS 19 OK 76 76 - 100 HD3 LYS 19 + HD3 LYS 19 OK 70 70 - 100 Peak 862 from aliabs.peaks (2.96, 1.66, 28.90 ppm; 6.06 A): 30 out of 114 assignments used, quality = 1.00: * HE2 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.3-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 31 OK 34 100 35 99 4.6-18.1 6338/6.2=6, 2634/3.5=5...(206) HE3 LYS 26 + HD3 LYS 31 OK 34 100 35 99 3.6-17.7 6338/6.2=6, 2634/3.5=4...(202) HE3 LYS 26 + HD2 LYS 36 OK 30 94 60 53 2.5-24.7 1004/3.5=11, 1026/3.0=5...(20) HE2 LYS 26 + HD2 LYS 31 OK 29 100 30 99 6.0-18.3 6338/6.2=6, 2634/3.5=5...(207) HE3 LYS 26 + HD2 LYS 31 OK 29 100 30 99 5.2-17.8 6338/6.2=6, 2634/3.5=4...(203) HE2 LYS 26 + HD2 LYS 36 OK 28 94 50 60 3.3-25.2 1004/3.5=11, 1026/3.0=6...(30) HE3 LYS 26 + HD3 LYS 36 OK 27 94 55 52 3.6-25.8 1003/3.5=11, 1026/3.0=5...(20) HE2 LYS 26 + HD3 LYS 36 OK 26 95 45 61 4.7-26.1 1004/3.5=11, 1026/3.0=6...(30) HE2 LYS 31 + HD2 LYS 26 OK 21 100 45 46 3.3-15.6 7.1/6336=5, 3.7/827=3...(26) HE2 LYS 19 + HD2 LYS 24 OK 20 94 35 61 5.2-19.0 5.1/2631=3, 3.8/276=3...(38) HE3 LYS 36 - HD2 LYS 26 poor 20 100 20 - 3.3-25.8 HE2 LYS 19 - HD3 LYS 24 poor 20 93 35 60 4.2-18.5 5.1/2632=3, 3.8/827=2...(38) HE2 LYS 31 - HD3 LYS 26 poor 19 99 40 47 4.2-14.6 7.1/6336=5, 4.8/661=4...(26) HE3 LYS 19 - HD3 LYS 24 poor 19 93 40 50 3.7-17.8 5.1/2632=3, 3.8/827=2...(26) HE3 LYS 31 - HD3 LYS 26 poor 18 98 40 47 4.6-14.9 7.1/6336=5, 4.8/661=4...(26) HE3 LYS 24 - HD2 LYS 19 poor 18 72 45 57 2.9-18.4 2634/3.9=4, 11770/5.2=3...(41) HE3 LYS 19 - HD2 LYS 24 poor 17 94 35 52 3.9-18.3 5.1/2631=3, 3.8/277=3...(26) HE2 LYS 24 - HD3 LYS 19 poor 16 73 40 54 2.7-18.2 2634/3.9=4, 11770/5.2=3...(38) HE3 LYS 31 - HD2 LYS 26 poor 16 99 35 45 4.9-15.3 7.1/6336=5, 3.7/827=3...(26) HE3 LYS 24 - HD3 LYS 19 poor 15 68 40 56 2.2-19.0 2634/3.9=4, 11770/5.2=3...(39) HE2 LYS 36 - HD3 LYS 31 far 15 100 15 - 4.3-12.0 HE2 LYS 24 - HD2 LYS 19 poor 15 78 35 55 2.6-17.0 2634/3.9=4, 11770/5.2=3...(40) HE3 LYS 26 - HD2 LYS 24 far 14 94 15 - 7.0-13.6 HE3 LYS 26 - HD3 LYS 24 far 14 93 15 - 5.7-13.3 HE3 LYS 36 - HD2 LYS 31 poor 10 100 35 27 5.7-13.3 6337/6.2=2...(5) HE2 LYS 26 - HD2 LYS 24 far 9 95 10 - 6.9-13.2 HE2 LYS 26 - HD3 LYS 24 far 9 93 10 - 6.6-12.2 HE2 LYS 36 - HD2 LYS 31 poor 8 100 25 33 4.6-13.1 10721/11944=2...(4) HB2 CYS 45 - HD3 LYS 31 far 7 73 10 - 6.8-18.5 HB2 CYS 45 - HD2 LYS 31 far 7 72 10 - 7.5-19.9 HB2 CYS 45 - HD3 LYS 26 far 7 71 10 - 6.8-26.2 HE3 LYS 36 - HD3 LYS 26 poor 7 99 30 23 3.8-24.9 4.9/1031=5...(4) HE3 LYS 36 - HD3 LYS 31 poor 7 100 25 27 5.3-12.3 6337/6.2=2...(4) HE2 LYS 36 - HD3 LYS 26 poor 7 99 30 22 2.9-24.6 4.9/1031=5...(4) HB2 CYS 45 - HD2 LYS 36 lone 6 64 60 17 4.5-10.8 9143/11125=7, ~1448=3...(4) HE2 LYS 36 - HD2 LYS 26 poor 6 100 25 22 1.9-25.5 4.9/1031=5...(5) HB2 CYS 45 - HD3 LYS 36 lone 5 65 45 19 4.1-11.2 9143/11125=7, ~1448=3...(5) HE2 LYS 24 - HD3 LYS 31 far 5 99 5 - 4.7-18.8 HE2 LYS 24 - HD2 LYS 26 far 5 99 5 - 7.0-12.4 HE2 LYS 24 - HD2 LYS 31 far 5 99 5 - 5.9-17.4 HE2 LYS 24 - HD3 LYS 95 far 5 99 5 - 6.6-34.7 HE2 LYS 24 - HD3 LYS 26 far 5 98 5 - 7.2-13.0 HE3 LYS 24 - HD3 LYS 31 far 5 96 5 - 5.0-18.2 HE2 LYS 36 - HD2 LYS 24 far 5 95 5 - 5.2-24.7 HE3 LYS 24 - HD2 LYS 31 far 5 95 5 - 6.5-18.3 HE3 LYS 24 - HD3 LYS 95 far 5 94 5 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 24 far 5 95 5 - 7.0-25.6 HE2 LYS 36 - HD3 LYS 24 far 5 93 5 - 5.7-25.1 HE2 LYS 24 - HD3 LYS 36 far 5 93 5 - 7.0-26.2 HE3 LYS 31 - HD2 LYS 24 far 5 93 5 - 7.4-18.2 HE3 LYS 24 - HD2 LYS 95 far 5 93 5 - 6.5-37.7 HE3 LYS 36 - HD3 LYS 24 far 5 93 5 - 7.4-26.2 HE2 LYS 24 - HD2 LYS 36 far 5 92 5 - 6.3-25.9 HE3 LYS 31 - HD3 LYS 24 far 5 91 5 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 4 87 5 - 7.6-25.8 HB3 ASN 121 - HD3 LYS 95 far 4 85 5 - 6.3-11.9 HB3 ASN 121 - HD2 LYS 95 far 4 84 5 - 6.6-11.6 HE2 LYS 31 - HD2 LYS 19 far 4 79 5 - 6.4-27.0 HB3 ASN 121 - HD2 LYS 24 far 4 78 5 - 6.7-35.7 HB3 ASN 121 - HD3 LYS 24 far 4 76 5 - 5.3-34.8 HE2 LYS 31 - HD3 LYS 19 far 4 75 5 - 6.7-28.5 HE3 LYS 31 - HD3 LYS 19 far 4 73 5 - 7.5-29.3 HE2 LYS 31 - HD3 LYS 36 lone 4 95 35 11 4.3-13.8 10840/10837=3...(3) HE2 LYS 31 - HD2 LYS 36 lone 3 94 30 11 3.1-14.2 10840/10837=3...(3) HB3 ASN 116 - HD3 LYS 24 far 3 58 5 - 6.5-36.1 HE3 LYS 31 - HD3 LYS 36 lone 3 93 30 10 4.8-13.8 10840/10837=3...(3) HE3 LYS 31 - HD2 LYS 36 lone 2 92 25 10 3.6-14.4 10840/10837=3...(3) HB2 CYS 45 - HD3 LYS 24 far 0 63 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 97 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 78 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 96 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 73 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 79 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 94 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 75 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 60 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 88 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 48 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 95 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 50 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 65 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 93 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 75 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 79 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 79 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 75 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 49 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 99 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 75 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 48 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 863 from aliabs.peaks (2.95, 1.66, 28.90 ppm; 6.06 A): 30 out of 114 assignments used, quality = 1.00: * HE3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 97 97 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.3-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 91 91 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 79 79 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 75 75 100 100 2.3-3.0 2.9=100 HE2 LYS 26 + HD3 LYS 31 OK 34 99 35 99 4.6-18.1 6337/6.2=6, 2634/3.5=5...(206) HE3 LYS 26 + HD3 LYS 31 OK 34 98 35 99 3.6-17.7 6337/6.2=6, 2634/3.5=4...(202) HE2 LYS 26 + HD2 LYS 31 OK 29 99 30 99 6.0-18.3 6337/6.2=6, 2634/3.5=5...(207) HE3 LYS 26 + HD2 LYS 31 OK 29 97 30 99 5.2-17.8 6337/6.2=6, 2634/3.5=4...(203) HE3 LYS 26 + HD2 LYS 36 OK 28 90 60 52 2.5-24.7 1003/3.5=11, 1026/3.0=5...(19) HE2 LYS 26 + HD2 LYS 36 OK 28 92 50 60 3.3-25.2 1004/3.5=12, 1026/3.0=7...(30) HE3 LYS 26 + HD3 LYS 36 OK 26 91 55 52 3.6-25.8 1003/3.5=11, 1026/3.0=5...(19) HE2 LYS 26 + HD3 LYS 36 OK 25 93 45 61 4.7-26.1 1004/3.5=12, 1026/3.0=7...(30) HE2 LYS 31 + HD2 LYS 26 OK 21 99 45 46 3.3-15.6 7.1/6336=5, 3.7/827=3...(26) HE2 LYS 19 + HD2 LYS 24 OK 20 94 35 61 5.2-19.0 5.1/2631=3, 3.8/276=3...(38) HE3 LYS 24 - HD2 LYS 19 poor 20 78 45 57 2.9-18.4 2634/3.9=4, 11770/5.2=3...(41) HE3 LYS 36 - HD2 LYS 26 poor 20 99 20 - 3.3-25.8 HE2 LYS 19 - HD3 LYS 24 poor 20 93 35 60 4.2-18.5 5.1/2632=3, 3.8/827=2...(38) HE3 LYS 31 - HD3 LYS 26 poor 19 99 40 47 4.6-14.9 7.1/6336=5, 4.8/661=4...(26) HE2 LYS 31 - HD3 LYS 26 poor 19 98 40 47 4.2-14.6 7.1/6336=5, 4.8/661=4...(26) HE3 LYS 19 - HD3 LYS 24 poor 19 93 40 50 3.7-17.8 5.1/2632=3, 3.8/827=2...(26) HE3 LYS 19 - HD2 LYS 24 poor 17 94 35 52 3.9-18.3 5.1/2631=3, 3.8/277=3...(26) HE3 LYS 24 - HD3 LYS 19 poor 17 73 40 57 2.2-19.0 2634/3.9=4, 11770/5.2=3...(39) HE2 LYS 24 - HD3 LYS 19 poor 16 75 40 54 2.7-18.2 2634/3.9=4, 11770/5.2=3...(38) HE3 LYS 31 - HD2 LYS 26 poor 16 100 35 45 4.9-15.3 7.1/6336=5, 3.7/827=3...(26) HE2 LYS 24 - HD2 LYS 19 poor 15 79 35 55 2.6-17.0 2634/3.9=4, 11770/5.2=3...(40) HE2 LYS 36 - HD3 LYS 31 far 15 99 15 - 4.3-12.0 HE3 LYS 26 - HD2 LYS 24 far 14 91 15 - 7.0-13.6 HE3 LYS 26 - HD3 LYS 24 far 13 89 15 - 5.7-13.3 HE3 LYS 36 - HD2 LYS 31 poor 9 98 35 27 5.7-13.3 6337/6.2=2...(5) HE2 LYS 26 - HD2 LYS 24 far 9 93 10 - 6.9-13.2 HE2 LYS 26 - HD3 LYS 24 far 9 91 10 - 6.6-12.2 HB2 CYS 45 - HD2 LYS 36 lone 9 77 60 19 4.5-10.8 9143/11125=9, ~1448=3...(5) HB2 CYS 45 - HD3 LYS 31 far 9 87 10 - 6.8-18.5 HB2 CYS 45 - HD2 LYS 31 far 9 86 10 - 7.5-19.9 HB2 CYS 45 - HD3 LYS 26 far 8 85 10 - 6.8-26.2 HE2 LYS 36 - HD2 LYS 31 poor 8 98 25 33 4.6-13.1 10721/11944=2...(4) HB2 CYS 45 - HD3 LYS 36 poor 7 78 45 21 4.1-11.2 9143/11125=9, ~1448=3...(6) HE3 LYS 36 - HD3 LYS 26 poor 7 98 30 23 3.8-24.9 4.9/1031=5...(4) HE3 LYS 36 - HD3 LYS 31 poor 7 99 25 27 5.3-12.3 6337/6.2=2...(4) HE2 LYS 36 - HD3 LYS 26 poor 6 98 30 21 2.9-24.6 4.9/1031=5...(3) HE2 LYS 36 - HD2 LYS 26 poor 5 99 25 22 1.9-25.5 4.9/1031=5...(5) HE2 LYS 24 - HD3 LYS 31 far 5 100 5 - 4.7-18.8 HE2 LYS 24 - HD2 LYS 26 far 5 100 5 - 7.0-12.4 HE2 LYS 24 - HD2 LYS 31 far 5 100 5 - 5.9-17.4 HE3 LYS 24 - HD3 LYS 31 far 5 99 5 - 5.0-18.2 HE2 LYS 24 - HD3 LYS 95 far 5 100 5 - 6.6-34.7 HE2 LYS 24 - HD3 LYS 26 far 5 99 5 - 7.2-13.0 HE3 LYS 24 - HD2 LYS 31 far 5 99 5 - 6.5-18.3 HE3 LYS 24 - HD3 LYS 95 far 5 99 5 - 5.3-36.2 HE3 LYS 24 - HD2 LYS 95 far 5 97 5 - 6.5-37.7 HE2 LYS 24 - HD3 LYS 36 far 5 95 5 - 7.0-26.2 HE3 LYS 31 - HD2 LYS 24 far 5 95 5 - 7.4-18.2 HE2 LYS 24 - HD2 LYS 36 far 5 94 5 - 6.3-25.9 HE3 LYS 31 - HD3 LYS 24 far 5 93 5 - 7.5-19.1 HE2 LYS 36 - HD2 LYS 24 far 5 92 5 - 5.2-24.7 HE3 LYS 36 - HD2 LYS 24 far 5 92 5 - 7.0-25.6 HE3 LYS 24 - HD2 LYS 36 far 5 92 5 - 7.6-25.8 HE2 LYS 36 - HD3 LYS 24 far 5 91 5 - 5.7-25.1 HE3 LYS 36 - HD3 LYS 24 far 5 91 5 - 7.4-26.2 HE2 LYS 31 - HD2 LYS 19 far 4 78 5 - 6.4-27.0 HE3 LYS 31 - HD3 LYS 19 far 4 75 5 - 7.5-29.3 HE2 LYS 31 - HD3 LYS 19 far 4 73 5 - 6.7-28.5 HB3 ASN 116 - HD3 LYS 24 far 4 72 5 - 6.5-36.1 HB3 ASN 121 - HD3 LYS 95 far 4 72 5 - 6.3-11.9 HB3 ASN 121 - HD2 LYS 95 far 4 70 5 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 36 lone 3 93 35 11 4.3-13.8 10766/10837=3...(3) HB3 ASN 121 - HD2 LYS 24 far 3 65 5 - 6.7-35.7 HB3 ASN 121 - HD3 LYS 24 far 3 63 5 - 5.3-34.8 HE2 LYS 31 - HD2 LYS 36 lone 3 92 30 11 3.1-14.2 10766/10837=3...(3) HE3 LYS 31 - HD3 LYS 36 lone 3 95 30 10 4.8-13.8 10840/10837=3...(3) HE3 LYS 31 - HD2 LYS 36 lone 2 94 25 10 3.6-14.4 10840/10837=3...(3) HB2 CYS 45 - HD3 LYS 24 far 0 76 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 99 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 79 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 99 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 87 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 77 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 98 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 73 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 100 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 74 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 93 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 100 0 - 8.6-25.1 HE2 LYS 39 - HD3 LYS 24 far 0 63 0 - 8.6-34.0 HE2 LYS 31 - HD2 LYS 24 far 0 93 0 - 8.7-18.2 HE2 LYS 39 - HD3 LYS 36 far 0 65 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 78 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 91 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 100 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 73 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 77 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 78 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 73 0 - 9.4-33.8 HE2 LYS 39 - HD2 LYS 36 far 0 64 0 - 9.6-17.1 HE3 LYS 19 - HD3 LYS 26 far 0 99 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 71 0 - 9.8-25.6 HE3 LYS 39 - HD3 LYS 24 far 0 63 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 866 from aliabs.peaks (4.27, 2.96, 41.80 ppm; 5.96 A): 28 out of 165 assignments used, quality = 1.00: HA LYS 19 + HE3 LYS 19 OK 99 100 100 99 2.0-5.4 6.4=81, 627/3.8=31...(34) HA LYS 19 + HE2 LYS 19 OK 99 100 100 99 3.2-5.7 6.4=81, 627/3.8=31...(34) * HA LYS 31 + HE2 LYS 31 OK 99 100 100 99 1.9-5.7 6.5=78, 822/3.7=32...(28) HA LYS 26 + HE2 LYS 26 OK 98 100 100 98 2.7-6.4 6.6=74, 627/3.6=33...(23) HA LYS 26 + HE3 LYS 26 OK 98 100 100 98 3.4-6.0 6.6=74, 627/3.6=33...(23) HA LYS 31 + HE3 LYS 31 OK 97 98 100 99 2.5-5.6 6.5=78, 822/3.7=32...(28) HA LYS 36 + HE3 LYS 36 OK 93 93 100 100 2.9-6.5 6.0=100 HA LYS 36 + HE2 LYS 36 OK 93 93 100 100 3.9-6.2 6.0=100 HA THR 18 + HE3 LYS 19 OK 69 96 80 90 4.3-9.2 10686/3.8=61, 226/7.3=49...(8) HA PHE 87 + HE3 LYS 86 OK 68 71 100 96 3.9-7.4 4.9/11332=49...(13) HA THR 18 + HE2 LYS 19 OK 56 96 65 90 2.7-8.8 10686/3.8=61, 226/7.3=49...(8) HA THR 25 + HE2 LYS 24 OK 55 78 75 94 2.0-8.6 11128/5.1=31, 9587=22...(16) HA THR 25 + HE2 LYS 26 OK 49 83 65 92 2.9-9.2 582/7.1=42, 11128/4.8=26...(13) HA LYS 31 + HE3 LYS 26 OK 44 100 45 99 5.3-18.9 3.0/6338=8, ~6338=7...(172) HA THR 25 + HE3 LYS 26 OK 41 82 55 92 2.2-9.3 582/7.1=42, 11128/4.8=26...(13) HA ARG 23 + HE2 LYS 24 OK 41 96 60 71 6.3-9.4 424/7.4=46, 833/4.0=9...(15) HA LYS 19 + HE3 LYS 24 OK 40 87 50 93 2.9-16.7 822/4.0=6, 241/4.0=5...(155) HA THR 25 + HE3 LYS 24 OK 40 66 65 93 2.3-9.0 11128/5.1=31...(14) HA LYS 19 + HE2 LYS 24 OK 37 98 40 95 1.9-16.1 822/4.0=6, 241/4.0=5...(168) HA ARG 23 + HE3 LYS 26 OK 37 98 55 69 2.0-13.5 3.8/11618=7, 424/7.1=3...(70) HA ARG 23 + HE2 LYS 26 OK 37 99 55 68 2.7-12.5 3.8/11618=10, 424/7.1=3...(66) HA LYS 26 + HE3 LYS 31 OK 37 98 40 94 4.4-13.1 790/4.8=8, 822/3.7=7...(142) HA LYS 31 + HE2 LYS 26 OK 34 100 35 98 5.0-18.9 3.0/6338=8, ~6338=7...(172) HA LYS 26 + HE2 LYS 31 OK 33 100 35 94 5.0-12.6 790/4.8=8, 822/3.7=7...(141) HA GLN 27 + HE3 LYS 26 OK 28 75 55 68 3.7-8.8 ~6267=25, ~6266=25...(12) HA GLN 27 + HE2 LYS 26 OK 26 76 50 68 3.2-8.6 ~6267=25, ~6266=25...(12) HA LYS 36 + HE3 LYS 26 OK 26 92 35 80 3.5-29.4 3.0/1004=12, ~1004=9...(49) HA ARG 23 + HE3 LYS 24 OK 20 83 35 70 5.5-9.3 424/7.4=46, 833/4.0=9...(13) HA LYS 26 - HE3 LYS 36 poor 20 100 20 - 6.7-22.7 HA LEU 22 - HE2 LYS 26 poor 20 100 20 - 4.0-14.7 HA GLN 27 - HE3 LYS 36 poor 19 76 25 - 3.3-19.2 HA LYS 36 - HE2 LYS 26 poor 19 93 25 81 3.2-29.7 3.0/1004=12, ~1004=9...(54) HA LYS 31 - HE3 LYS 36 poor 17 100 50 34 4.8-12.9 10753/10804=5...(6) HA LEU 22 - HE2 LYS 24 poor 17 97 50 34 3.0-11.0 11967/4.0=15, 6212/7.4=9...(8) HA THR 25 - HE2 LYS 31 poor 17 83 20 - 3.1-14.8 HA LYS 31 - HE2 LYS 36 poor 16 100 40 40 5.5-13.1 10753/9008=4, ~6337=3...(7) HA ARG 84 - HE3 LYS 86 poor 16 45 35 - 7.1-8.5 HA GLN 27 - HE2 LYS 36 poor 15 76 20 - 4.2-18.7 HA ALA 16 - HE2 LYS 19 far 15 99 15 - 5.1-12.4 HA ARG 23 - HE3 LYS 36 far 15 99 15 - 6.1-25.9 HA ALA 15 - HE2 LYS 31 far 15 98 15 - 5.4-27.5 HA LEU 22 - HE3 LYS 24 poor 14 86 45 35 1.9-11.8 11967/4.0=15, 6212/7.4=9...(9) HA LYS 26 - HE3 LYS 24 far 13 87 15 - 6.6-11.5 HA THR 25 - HE3 LYS 31 far 12 78 15 - 2.8-14.8 HA GLN 27 - HE3 LYS 31 far 11 72 15 - 5.0-12.1 HA ALA 28 - HE2 LYS 26 far 10 68 15 - 5.8-11.2 HA LYS 26 - HE2 LYS 36 far 10 100 10 - 5.2-22.3 HA LYS 19 - HE2 LYS 31 far 10 100 10 - 7.4-25.6 HA LEU 22 - HE3 LYS 26 far 10 99 10 - 5.2-15.2 HA ARG 23 - HE2 LYS 31 far 10 99 10 - 6.0-17.4 HA ARG 23 - HE2 LYS 36 far 10 99 10 - 5.7-25.3 HA GLN 61 - HE2 LYS 31 far 10 98 10 - 6.6-24.3 HA LYS 26 - HE2 LYS 24 far 10 98 10 - 5.6-11.4 HA ALA 16 - HE3 LYS 31 far 10 97 10 - 5.0-28.0 HA THR 18 - HE2 LYS 31 far 10 97 10 - 5.9-25.3 HA ARG 23 - HE3 LYS 31 far 10 96 10 - 7.1-18.5 HA ALA 15 - HE2 LYS 24 far 9 95 10 - 3.2-24.3 HA ALA 15 - HE3 LYS 31 far 9 95 10 - 5.9-26.5 HA GLN 61 - HE3 LYS 31 far 9 95 10 - 6.4-25.1 HA ALA 28 - HE2 LYS 31 poor 9 68 30 46 6.8-12.9 ~10771=28, 10776/10813=2...(14) HA THR 18 - HE3 LYS 31 far 9 93 10 - 5.3-25.8 HA LYS 36 - HE2 LYS 24 far 9 89 10 - 6.4-29.6 HA THR 25 - HE2 LYS 36 far 8 83 10 - 4.9-23.1 HA THR 25 - HE3 LYS 36 far 8 83 10 - 5.5-23.8 HA GLN 27 - HE2 LYS 31 far 8 76 10 - 6.7-11.5 HA ALA 21 - HE2 LYS 26 far 7 71 10 - 6.8-17.6 HA ALA 28 - HE3 LYS 26 far 7 67 10 - 5.4-11.4 HA ALA 28 - HE3 LYS 31 far 6 64 10 - 6.3-12.6 HA ALA 28 - HE3 LYS 24 far 5 53 10 - 6.7-14.6 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 5.1-27.7 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 5.6-27.5 HA ALA 16 - HE2 LYS 31 far 5 99 5 - 6.3-27.2 HA ALA 16 - HE3 LYS 36 far 5 99 5 - 6.3-32.1 HA ALA 109 - HE2 LYS 26 far 5 99 5 - 5.8-33.8 HA ALA 108 - HE2 LYS 26 far 5 99 5 - 6.6-31.8 HA ALA 109 - HE3 LYS 26 far 5 98 5 - 4.2-32.2 HA GLN 61 - HE2 LYS 26 far 5 98 5 - 2.5-26.5 HA ALA 108 - HE3 LYS 26 far 5 98 5 - 4.9-30.3 HA ALA 109 - HE3 LYS 19 far 5 98 5 - 6.5-51.9 HA ALA 108 - HE3 LYS 19 far 5 98 5 - 7.1-50.0 HA LYS 31 - HE2 LYS 24 far 5 98 5 - 6.0-19.7 HA LYS 19 - HE3 LYS 31 far 5 98 5 - 6.8-26.4 HA GLN 61 - HE3 LYS 26 far 5 97 5 - 3.6-26.6 HA ALA 16 - HE2 LYS 24 far 5 97 5 - 5.1-21.6 HA THR 18 - HE3 LYS 36 far 5 96 5 - 5.0-33.6 HA THR 18 - HE2 LYS 36 far 5 96 5 - 6.5-32.9 HA ALA 108 - HE3 LYS 31 far 5 96 5 - 6.8-33.7 HA GLN 61 - HE2 LYS 24 far 5 95 5 - 5.8-25.5 HA LYS 36 - HE2 LYS 31 far 5 93 5 - 7.3-13.7 HA ALA 110 - HE2 LYS 26 far 5 93 5 - 7.4-35.4 HA ALA 110 - HE3 LYS 26 far 5 92 5 - 5.9-33.9 HA LYS 36 - HE3 LYS 31 far 4 89 5 - 7.1-15.1 HA LYS 31 - HE3 LYS 24 far 4 87 5 - 7.3-20.2 HA ALA 16 - HE3 LYS 24 far 4 85 5 - 5.5-21.7 HA ALA 15 - HE3 LYS 24 far 4 83 5 - 2.7-24.2 HA GLN 61 - HE3 LYS 24 far 4 83 5 - 6.3-26.7 HA THR 25 - HE2 LYS 19 far 4 82 5 - 7.4-19.3 HA LYS 36 - HE3 LYS 24 far 4 76 5 - 7.3-29.3 HA GLN 27 - HE2 LYS 24 far 4 72 5 - 7.2-14.8 HA ALA 21 - HE3 LYS 36 far 4 71 5 - 6.5-28.1 HA ALA 21 - HE2 LYS 31 far 4 71 5 - 7.5-21.4 HA ALA 21 - HE2 LYS 36 far 4 71 5 - 7.2-27.3 HA ALA 28 - HE3 LYS 36 far 3 68 5 - 6.5-17.6 HA ALA 21 - HE3 LYS 31 far 3 67 5 - 7.2-21.7 HA GLN 27 - HE3 LYS 24 far 3 59 5 - 6.5-14.9 HA THR 18 - HE2 LYS 24 lone 1 93 25 5 4.8-17.4 10686/318=1 HA ALA 12 - HE2 LYS 19 lone 1 91 35 3 3.7-20.1 HA ALA 21 - HE2 LYS 24 lone 1 67 40 3 2.6-12.5 HA THR 18 - HE3 LYS 24 lone 1 80 25 4 4.1-17.6 HA ALA 15 - HE2 LYS 19 lone 1 97 35 2 2.2-14.3 HA ALA 21 - HE3 LYS 24 lone 1 55 40 3 2.0-13.7 HA ALA 16 - HE3 LYS 19 lone 1 99 25 3 4.9-11.6 7131/7.3=1 HA ALA 12 - HE3 LYS 19 lone 1 91 25 3 4.5-19.2 HA ALA 15 - HE3 LYS 19 lone 1 97 30 2 2.0-14.9 HA ALA 109 - HE2 LYS 19 far 0 98 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 82 0 - 7.5-20.7 HA ALA 28 - HE2 LYS 36 far 0 68 0 - 7.5-16.9 HA ALA 108 - HE2 LYS 31 far 0 99 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 99 0 - 7.5-31.5 HA ALA 28 - HE2 LYS 24 far 0 64 0 - 7.6-14.9 HA LYS 19 - HE2 LYS 26 far 0 100 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 70 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 98 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 97 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 70 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 75 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 92 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 98 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 100 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 88 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 100 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 97 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 87 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 55 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 98 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 70 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 96 0 - 8.9-40.0 HA ALA 28 - HE3 LYS 19 far 0 67 0 - 8.9-24.7 HA LYS 19 - HE3 LYS 26 far 0 100 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 92 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 98 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 100 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 92 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 84 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 92 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 92 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 97 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 87 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 96 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 98 0 - 9.6-27.2 HA ALA 28 - HE2 LYS 19 far 0 67 0 - 9.7-25.6 HA LYS 19 - HE2 LYS 36 far 0 100 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 96 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 97 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 98 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 84 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 89 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 100 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 83 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 867 from aliabs.peaks (1.74, 2.96, 41.80 ppm; 6.80 A): 23 out of 60 assignments used, quality = 1.00: * HB2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-4.9 4.8=100 HB2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-5.2 4.8=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.6-5.5 4.8=100 HB2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 1.8-4.7 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-4.5 5.1=100 HB2 LYS 24 + HE3 LYS 24 OK 87 87 100 100 3.1-5.1 5.1=100 HB ILE 80 + HE3 LYS 86 OK 68 68 100 100 2.3-7.3 ~11243=94, 9713/3.7=88...(24) HB2 LYS 31 + HE2 LYS 26 OK 64 100 65 99 3.2-17.5 6331/6338=10, 639/3.6=9...(164) HB2 LYS 31 + HE3 LYS 26 OK 64 100 65 99 3.4-17.3 6331/6338=10, 639/3.6=9...(159) HG3 ARG 90 + HE3 LYS 86 OK 62 69 90 100 4.2-9.7 11303/9660=88...(8) HB2 LYS 26 + HE2 LYS 31 OK 61 100 65 94 4.4-12.8 834/3.7=9, 799/7.1=8...(129) HB2 LYS 26 + HE3 LYS 31 OK 51 98 55 95 4.2-12.2 834/3.7=9, 799/7.1=8...(129) HB2 ARG 23 + HE2 LYS 26 OK 44 98 60 75 3.9-14.3 3.0/11618=13, ~11618=8...(67) HB2 LYS 19 + HE3 LYS 24 OK 42 87 50 97 5.3-18.0 823/4.0=6, 1.8/2634=5...(166) HB2 ARG 23 + HE3 LYS 26 OK 40 97 55 75 3.3-14.8 ~11618=12, 3.0/11618=9...(66) HB2 LYS 19 + HE2 LYS 24 OK 33 98 35 98 4.1-17.5 823/4.0=6, 1.8/2634=5...(165) HB2 LYS 24 + HE2 LYS 19 OK 27 100 35 76 3.8-18.2 790/6.4=3, 613=2...(74) HB2 LYS 24 + HE3 LYS 19 OK 24 100 35 68 4.9-17.5 790/6.4=3, 2.9/1025=3...(57) HB2 ARG 23 + HE3 LYS 24 OK 21 83 35 71 5.8-11.2 6213/7.4=31, 481/6.4=14...(37) HB2 LYS 31 + HE3 LYS 36 OK 20 100 60 33 4.9-12.6 6331/6337=4, 807=2, 1.8/2634=2 HB2 ARG 23 + HE2 LYS 24 OK 20 95 30 70 6.2-11.2 6213/7.4=31, 481/6.4=14...(34) HB2 ARG 23 - HE3 LYS 36 poor 20 98 20 - 4.0-24.1 HB2 LYS 26 - HE3 LYS 24 poor 17 87 20 - 4.4-13.6 HB2 ARG 23 - HE2 LYS 36 far 15 98 15 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 31 far 14 95 15 - 5.7-20.0 HB2 LYS 31 - HE2 LYS 36 poor 13 100 35 37 3.5-12.9 6331/6337=2, 808/1.8=1...(6) HB2 LYS 24 - HE2 LYS 26 poor 11 100 50 21 5.6-12.3 11151/9587=5, 834/3.6=2 HB2 LYS 24 - HE2 LYS 36 far 10 100 10 - 1.9-26.5 HB2 LYS 19 - HE2 LYS 31 far 10 100 10 - 5.2-25.0 HB2 LYS 19 - HE2 LYS 26 far 10 100 10 - 6.8-24.3 HB2 LYS 24 - HE2 LYS 31 far 10 100 10 - 6.9-18.8 HB2 LYS 31 - HE3 LYS 19 far 10 100 10 - 7.1-27.9 HB2 LYS 31 - HE2 LYS 19 far 10 100 10 - 7.3-27.5 HB2 LYS 31 - HE2 LYS 24 far 10 98 10 - 4.9-20.2 HB2 LYS 26 - HE2 LYS 24 far 10 98 10 - 4.0-13.1 HB2 LYS 19 - HE3 LYS 31 far 10 98 10 - 5.9-25.9 HB2 LYS 24 - HE3 LYS 31 far 10 98 10 - 6.7-18.7 HB2 ARG 23 - HE2 LYS 31 far 10 98 10 - 7.1-18.8 HB2 LYS 26 - HE3 LYS 36 poor 9 100 40 23 4.9-22.7 10748/10721=3 HB2 LYS 31 - HE3 LYS 24 far 9 87 10 - 5.8-20.7 HB2 LYS 24 - HE3 LYS 26 poor 8 100 35 24 5.3-12.3 11151/9587=7, 834/3.6=2 HB2 LYS 26 - HE2 LYS 36 poor 8 100 35 23 3.3-22.3 10748/10721=3 HB2 LYS 24 - HE3 LYS 36 far 5 100 5 - 3.6-27.4 HB2 LYS 19 - HE3 LYS 26 far 5 100 5 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 5 100 5 - 8.2-24.9 HB2 ARG 23 - HE3 LYS 19 far 5 97 5 - 7.5-16.1 HB3 LEU 70 - HE2 LYS 36 far 3 60 5 - 7.2-17.1 HB3 LEU 70 - HE3 LYS 36 far 3 60 5 - 7.6-17.6 HB2 LYS 19 - HE3 LYS 36 far 0 100 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 85 0 - 8.9-15.9 HB3 LEU 70 - HE2 LYS 31 far 0 60 0 - 8.9-21.5 HB2 ARG 23 - HE2 LYS 19 far 0 97 0 - 8.9-16.3 HB3 LEU 70 - HE3 LYS 31 far 0 56 0 - 9.1-20.8 HG13 ILE 129 - HE3 LYS 86 far 0 71 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 85 0 - 9.7-15.5 HG LEU 100 - HE3 LYS 31 far 0 54 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 68 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 868 from aliabs.peaks (1.81, 2.96, 41.80 ppm; 5.97 A): 29 out of 75 assignments used, quality = 1.00: * HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.3-4.8 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-5.0 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-5.1 5.1=100 HB ILE 32 + HE2 LYS 36 OK 95 100 95 100 3.4-7.6 ~10837=29, 10833/3.0=29...(57) HB ILE 32 + HE3 LYS 36 OK 90 100 90 100 2.0-7.9 ~10837=29, 10833/3.0=29...(56) HB3 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.8-5.3 5.1=100 HB ILE 32 + HE2 LYS 31 OK 61 100 65 95 4.3-9.5 10825=14, 3.2/10804=13...(61) HB ILE 32 + HE2 LYS 26 OK 57 100 60 96 4.8-19.8 2.1/10840=15, ~10767=14...(62) HB ILE 32 + HE3 LYS 26 OK 57 100 60 95 4.6-19.4 2.1/10840=15, ~10840=14...(62) HB2 LYS 86 + HE3 LYS 86 OK 55 55 100 100 3.0-3.5 4.9=100 HB3 LYS 31 + HE2 LYS 26 OK 54 100 55 98 2.2-19.2 629/3.6=9, 6332/6338=8...(145) HB3 LYS 31 + HE3 LYS 26 OK 53 100 55 97 3.3-19.0 629/3.6=9, 6332/6338=8...(142) HB ILE 32 + HE3 LYS 31 OK 51 98 55 95 4.6-10.3 10825/1.8=13, 902/7.1=12...(61) HB2 LYS 36 + HE2 LYS 26 OK 43 100 50 87 2.4-29.4 1.8/1004=14, ~1004=11...(50) HB3 ARG 23 + HE2 LYS 26 OK 37 99 55 68 3.0-13.9 3.0/11618=11, ~11618=7...(58) HB2 LYS 36 + HE3 LYS 26 OK 37 99 45 83 2.6-28.9 1.8/1003=14, ~1004=11...(30) HB3 LYS 26 + HE2 LYS 31 OK 37 100 40 91 3.9-12.8 1019/3.7=7, 835/3.7=6...(117) HB3 LYS 19 + HE3 LYS 24 OK 36 86 45 93 3.9-16.9 3.0/11770=4, 526/4.0=4...(134) HB3 LYS 26 + HE3 LYS 31 OK 36 98 40 92 4.4-13.0 1019/3.7=7, 835/3.7=6...(115) HB3 ARG 23 + HE3 LYS 26 OK 33 99 50 67 2.6-15.2 ~11618=10, 3.0/11618=8...(57) HB3 LYS 19 + HE2 LYS 24 OK 32 97 35 94 2.6-16.3 3.0/11770=4, 526/4.0=4...(130) HB3 LYS 24 + HE3 LYS 19 OK 24 100 35 68 4.6-17.1 2.9/1025=2, 624=2...(58) HB3 LYS 24 + HE2 LYS 19 OK 22 100 30 74 3.5-17.2 1.8/613=2, 2.9/1025=2...(70) HB3 LYS 31 - HE2 LYS 36 poor 20 100 20 - 5.3-14.3 HB3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 4.2-22.7 HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 ARG 23 - HE2 LYS 36 far 15 99 15 - 3.5-23.5 HB3 ARG 23 - HE2 LYS 31 far 15 99 15 - 6.3-18.9 HB3 LYS 31 - HE2 LYS 24 far 15 98 15 - 6.0-19.3 HB2 LYS 36 - HE3 LYS 31 far 15 97 15 - 5.6-14.2 HB3 ARG 23 - HE3 LYS 24 poor 12 85 25 55 7.0-10.6 6214/7.4=24, 1008/4.0=5...(24) HB3 LYS 31 - HE3 LYS 36 poor 11 100 40 28 4.9-14.1 6332/6337=3...(4) HB3 LYS 24 - HE2 LYS 36 far 10 100 10 - 3.5-25.9 HB3 ARG 23 - HE3 LYS 36 far 10 99 10 - 4.4-24.0 HB3 LYS 26 - HE2 LYS 24 far 10 98 10 - 5.2-13.2 HB3 ARG 23 - HE3 LYS 31 far 10 97 10 - 5.4-20.0 HB3 ARG 23 - HE2 LYS 24 far 10 97 10 - 7.2-10.3 HB3 LYS 26 - HE3 LYS 24 far 9 86 10 - 6.0-13.6 HB2 CYS 79 - HE3 LYS 86 far 6 55 10 - 6.5-10.0 HB3 LYS 26 - HE3 LYS 36 poor 6 100 25 22 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 26 far 5 100 5 - 6.1-23.7 HB3 LYS 19 - HE2 LYS 31 far 5 100 5 - 6.5-26.1 HB ILE 32 - HE2 LYS 24 far 5 98 5 - 7.3-20.7 HB2 LYS 36 - HE2 LYS 24 far 5 97 5 - 6.1-29.9 HB3 LYS 19 - HE3 LYS 31 far 5 97 5 - 7.4-27.0 HB3 LYS 24 - HE2 LYS 26 lone 5 100 35 13 5.5-13.1 985/9587=1 HB3 LYS 31 - HE3 LYS 24 far 4 87 5 - 6.7-20.0 HB3 LEU 98 - HE2 LYS 24 far 3 56 5 - 6.6-34.7 HB2 LYS 36 - HE2 LYS 31 lone 3 100 25 11 6.2-12.8 10898/10721=4, 929/10804=3 HB3 LEU 98 - HE3 LYS 24 far 2 46 5 - 6.5-36.2 HB2 LYS 36 - HE3 LYS 24 far 0 86 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 99 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 71 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 58 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 87 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 84 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 62 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 69 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 100 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 85 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 869 from aliabs.peaks (1.46, 2.96, 41.80 ppm; 4.27 A): 16 out of 68 assignments used, quality = 1.00: * HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-4.1 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.5 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.1-4.2 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.0-3.9 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 84 84 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 84 84 100 100 2.3-3.8 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.2-4.2 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 68 68 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 67 67 100 100 2.0-4.0 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 54 54 100 100 3.3-3.7 3.7=100 HG13 ILE 32 + HE2 LYS 36 OK 29 63 50 94 2.8-9.0 3.2/10721=17...(62) HG13 ILE 32 + HE3 LYS 36 OK 27 63 45 94 3.2-9.5 3.2/10721=19...(62) HG13 ILE 32 + HE2 LYS 31 OK 26 63 55 74 2.3-9.1 2.1/10804=12, ~9008=6...(25) HG13 ILE 32 + HE3 LYS 26 OK 24 62 50 77 2.0-17.3 3.2/10721=10, ~10767=9...(30) HG13 ILE 32 + HE2 LYS 26 OK 22 63 45 77 2.1-17.7 3.2/10721=10...(33) HG3 LYS 36 - HE2 LYS 26 poor 20 100 20 - 4.5-27.4 HG3 LYS 24 - HE2 LYS 19 poor 19 97 20 - 3.7-17.8 HG13 ILE 32 - HE3 LYS 31 poor 18 59 40 75 2.0-9.6 2.1/9008=9, ~10804=8...(31) HG3 LYS 19 - HE2 LYS 24 poor 16 81 20 - 3.4-18.5 HG3 LYS 36 - HE3 LYS 26 poor 15 100 25 62 4.4-26.9 3.0/1003=6...(16) HG2 LYS 26 - HE3 LYS 36 poor 14 68 20 - 3.8-24.9 HG3 LYS 24 - HE3 LYS 19 poor 12 97 25 50 4.5-18.1 823/5.1=2, 822/6.4=2...(7) HG2 LYS 26 - HE2 LYS 36 far 10 68 15 - 4.1-24.5 HG3 LYS 19 - HE3 LYS 24 far 10 68 15 - 4.8-19.1 HG2 LYS 31 - HE2 LYS 26 far 10 100 10 - 3.8-19.7 HG2 LYS 31 - HE2 LYS 36 far 10 100 10 - 4.9-14.4 HG2 LYS 31 - HE3 LYS 26 far 10 100 10 - 5.3-19.4 HG3 LYS 36 - HE2 LYS 31 far 5 100 5 - 4.4-14.3 HG2 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.4-14.2 HG2 LYS 31 - HE2 LYS 24 far 5 98 5 - 3.3-18.4 HG3 LYS 24 - HE2 LYS 36 far 5 98 5 - 3.2-24.6 HG3 LYS 36 - HE3 LYS 31 far 5 98 5 - 3.7-15.5 HG3 LYS 24 - HE3 LYS 36 far 5 98 5 - 4.8-25.5 HG3 LYS 36 - HE2 LYS 24 far 5 98 5 - 4.6-28.4 HG2 LYS 31 - HE3 LYS 24 far 4 87 5 - 4.0-19.0 HG2 LYS 26 - HE2 LYS 31 far 3 68 5 - 5.4-15.0 HG2 LYS 26 - HE2 LYS 24 far 0 64 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 53 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 64 0 - 6.0-14.4 HG3 LYS 36 - HE3 LYS 24 far 0 87 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 97 0 - 6.5-13.4 HG3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.7-12.9 QB ALA 52 - HE3 LYS 19 far 0 75 0 - 6.9-30.9 QB ALA 52 - HE3 LYS 24 far 0 59 0 - 7.0-24.3 QB ALA 52 - HE2 LYS 24 far 0 72 0 - 7.1-25.0 HG3 LYS 19 - HE3 LYS 31 far 0 81 0 - 7.1-28.4 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.3-26.2 QB ALA 52 - HE2 LYS 26 far 0 76 0 - 7.4-24.3 HG3 LYS 19 - HE2 LYS 31 far 0 85 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 59 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 85 0 - 8.0-25.3 QB ALA 52 - HE2 LYS 19 far 0 75 0 - 8.1-30.6 HG3 LYS 24 - HE3 LYS 31 far 0 95 0 - 8.2-17.8 QB ALA 52 - HE3 LYS 26 far 0 75 0 - 8.2-24.6 HG13 ILE 32 - HE3 LYS 19 far 0 62 0 - 8.4-27.1 QB ALA 52 - HE3 LYS 36 far 0 76 0 - 8.5-17.5 HG3 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 62 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 39 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 48 0 - 8.9-19.1 QB ALA 52 - HE2 LYS 36 far 0 76 0 - 9.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 84 0 - 9.3-25.2 QB ALA 52 - HE3 LYS 31 far 0 72 0 - 9.4-24.2 HG3 LYS 19 - HE3 LYS 36 far 0 85 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 50 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 870 from aliabs.peaks (1.39, 2.96, 41.80 ppm; 4.18 A): 11 out of 134 assignments used, quality = 1.00: * HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-4.2 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HG3 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.1-4.1 3.6=100 HG3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 95 95 100 100 2.0-3.9 4.0=100 HG2 LYS 19 + HE3 LYS 19 OK 91 91 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.3-3.2 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.1-4.2 4.0=100 HG2 LYS 86 + HE3 LYS 86 OK 37 37 100 100 2.0-2.9 3.7=100 QB ALA 29 - HE2 LYS 36 poor 20 99 20 - 5.2-11.0 QB ALA 28 - HE3 LYS 31 poor 20 98 20 - 4.1-9.8 HG2 LYS 19 - HE2 LYS 24 poor 18 88 20 - 2.9-18.6 QB ALA 12 - HE3 LYS 19 poor 17 67 25 - 4.2-15.1 HG3 LYS 31 - HE2 LYS 26 far 15 100 15 - 4.3-18.5 HG3 LYS 31 - HE2 LYS 36 far 15 100 15 - 4.3-14.3 HG3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.5-14.3 QB ALA 15 - HE2 LYS 31 far 15 100 15 - 3.9-23.1 HG2 LYS 19 - HE3 LYS 24 poor 15 75 20 - 3.9-19.3 HG3 LYS 26 - HE2 LYS 31 far 15 100 15 - 5.0-15.0 HG3 LYS 31 - HE3 LYS 26 far 15 100 15 - 4.8-18.3 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 2.1-13.2 HG2 LYS 36 - HE3 LYS 26 far 15 99 15 - 5.1-26.6 QB ALA 29 - HE2 LYS 26 far 15 99 15 - 4.1-12.1 QB ALA 29 - HE2 LYS 31 far 15 99 15 - 4.3-10.0 QB ALA 16 - HE3 LYS 19 far 15 99 15 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 15 99 15 - 4.4-10.6 QB ALA 29 - HE3 LYS 26 far 15 98 15 - 4.0-12.1 QB ALA 15 - HE3 LYS 31 far 15 98 15 - 4.6-22.3 HG2 LYS 24 - HE2 LYS 19 far 15 97 15 - 4.3-16.8 QB ALA 28 - HE3 LYS 24 far 13 87 15 - 5.3-13.7 HG3 LYS 26 - HE3 LYS 36 far 10 100 10 - 4.4-24.9 HG3 LYS 26 - HE2 LYS 36 far 10 100 10 - 4.6-24.5 HG2 LYS 36 - HE2 LYS 26 far 10 100 10 - 5.0-27.0 QB ALA 29 - HE3 LYS 36 far 10 99 10 - 5.3-11.4 QB ALA 28 - HE2 LYS 24 far 10 98 10 - 4.5-13.8 HG2 LYS 24 - HE3 LYS 19 far 10 97 10 - 3.6-18.0 QB ALA 29 - HE3 LYS 31 far 10 96 10 - 4.8-10.3 QB ALA 34 - HE2 LYS 36 far 9 60 15 - 5.1-8.4 QB ALA 28 - HE2 LYS 31 poor 5 100 25 21 4.7-10.1 ~10771=13, 6334/7.1=4 QB ALA 110 - HE2 LYS 26 far 5 100 5 - 4.9-30.1 QB ALA 110 - HE3 LYS 26 far 5 100 5 - 4.0-28.9 QB ALA 109 - HE3 LYS 19 far 5 100 5 - 4.7-41.8 QB ALA 28 - HE3 LYS 26 far 5 100 5 - 5.4-9.7 QB ALA 109 - HE2 LYS 19 far 5 100 5 - 5.1-43.2 QB ALA 109 - HE3 LYS 26 far 5 100 5 - 5.3-26.1 HG2 LYS 36 - HE2 LYS 31 far 5 100 5 - 5.3-13.7 QB ALA 16 - HE3 LYS 36 far 5 99 5 - 5.5-25.6 HG3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.1-18.0 HG2 LYS 24 - HE2 LYS 36 far 5 98 5 - 4.2-26.3 QB ALA 15 - HE2 LYS 24 far 5 98 5 - 2.0-19.1 HG3 LYS 95 - HE2 LYS 24 far 5 98 5 - 5.2-35.1 HG3 LYS 26 - HE2 LYS 24 far 5 98 5 - 5.0-12.3 HG2 LYS 24 - HE3 LYS 26 far 5 97 5 - 5.4-12.1 HG2 LYS 36 - HE3 LYS 31 far 5 97 5 - 5.1-14.9 QB ALA 16 - HE2 LYS 24 far 5 97 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 5 97 5 - 5.0-24.1 QB ALA 29 - HE2 LYS 24 far 5 96 5 - 5.6-13.5 HB2 LEU 42 - HE3 LYS 36 far 5 96 5 - 5.0-13.1 HG3 LYS 95 - HE3 LYS 24 far 4 87 5 - 4.2-36.6 HG3 LYS 31 - HE3 LYS 24 far 4 87 5 - 5.2-18.7 QB ALA 15 - HE3 LYS 24 far 4 86 5 - 2.0-19.1 HG2 LYS 95 - HE3 LYS 24 far 4 86 5 - 4.3-36.3 HG3 LYS 26 - HE3 LYS 24 far 4 86 5 - 5.5-12.7 QB ALA 16 - HE3 LYS 24 far 4 85 5 - 4.4-18.8 QB ALA 34 - HE3 LYS 36 far 3 60 5 - 5.3-9.2 QB ALA 12 - HE3 LYS 24 far 3 53 5 - 5.0-19.7 QB ALA 12 - HE2 LYS 19 lone 0 67 30 1 4.2-15.0 QB ALA 34 - HE2 LYS 26 far 0 60 0 - 5.7-20.7 HG2 LYS 24 - HE3 LYS 36 far 0 98 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 98 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 100 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 98 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 99 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 99 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 98 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 97 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 68 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 96 0 - 6.0-12.2 QB ALA 34 - HE3 LYS 24 far 0 46 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 59 0 - 6.1-21.1 QB ALA 12 - HE2 LYS 24 far 0 64 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 85 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 84 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 97 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 88 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 100 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 100 0 - 6.6-27.0 QB ALA 34 - HE2 LYS 24 far 0 56 0 - 6.7-22.8 HG3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 95 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 99 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 100 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 99 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 100 0 - 7.0-15.7 QB ALA 34 - HE2 LYS 31 far 0 60 0 - 7.0-12.5 QB ALA 108 - HE3 LYS 19 far 0 99 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 64 0 - 7.1-22.7 QB ALA 34 - HE3 LYS 31 far 0 56 0 - 7.1-12.4 QB ALA 108 - HE2 LYS 19 far 0 99 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 92 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 99 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 100 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 98 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 98 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 100 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 86 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 100 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 92 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 98 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 92 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 96 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 87 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 99 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 98 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 100 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 96 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 98 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 98 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 100 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 95 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 68 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 68 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 99 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 99 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 98 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 871 from aliabs.peaks (1.65, 2.96, 41.80 ppm; 3.84 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.4-3.0 2.9=100 HD3 LYS 26 + HE2 LYS 26 OK 99 99 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HE3 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.5-3.0 3.0=100 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 20 99 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 20 99 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 20 98 20 - 2.5-24.7 HD2 LYS 19 - HE2 LYS 24 poor 19 97 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 19 96 20 - 2.7-18.2 HD3 LYS 19 - HE3 LYS 24 poor 17 84 20 - 2.2-19.0 HD3 LYS 24 - HE3 LYS 19 far 15 100 15 - 3.7-17.8 HD2 LYS 36 - HE2 LYS 26 far 15 99 15 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 15 99 15 - 3.9-18.3 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD2 LYS 31 - HE2 LYS 36 far 10 100 10 - 4.6-13.1 HD3 LYS 36 - HE2 LYS 31 far 10 99 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 99 10 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 31 far 10 99 10 - 3.1-14.2 HD3 LYS 36 - HE3 LYS 26 far 10 99 10 - 3.6-25.8 HD2 LYS 24 - HE2 LYS 19 far 10 99 10 - 5.2-19.0 HD2 LYS 36 - HE3 LYS 31 far 10 96 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 96 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 9 86 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 7 100 25 29 4.2-18.5 2632/5.1=1, 307/3.8=1, 632/3.8=1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD2 LYS 31 - HE3 LYS 26 far 5 100 5 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 5 99 5 - 5.2-24.7 HD3 LYS 26 - HE2 LYS 31 far 5 99 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 98 5 - 4.9-15.3 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 4 86 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 4 86 5 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 100 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 100 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 100 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 96 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 100 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 100 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 87 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 87 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 98 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 95 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 99 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 99 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 83 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 99 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 99 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 96 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 97 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 68 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 96 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 55 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 84 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 98 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 86 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 100 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 60 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 96 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 57 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 97 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 85 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 73 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 98 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 99 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 100 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 100 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 100 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 97 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 96 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 99 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 69 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 73 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 97 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 98 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 95 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 872 from aliabs.peaks (1.66, 2.96, 41.80 ppm; 3.84 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.4-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-3.0 2.9=100 HD2 LYS 31 + HE3 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 86 86 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 70 70 100 100 2.5-3.0 3.0=100 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 20 99 20 - 2.5-24.7 HD2 LYS 19 - HE2 LYS 24 poor 19 96 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 19 94 20 - 2.7-18.2 HD3 LYS 19 - HE3 LYS 24 poor 16 82 20 - 2.2-19.0 HD2 LYS 36 - HE2 LYS 26 far 15 100 15 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 15 100 15 - 3.9-18.3 HD3 LYS 24 - HE3 LYS 19 far 15 99 15 - 3.7-17.8 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 100 10 - 4.7-26.1 HD2 LYS 31 - HE2 LYS 36 far 10 100 10 - 4.6-13.1 HD3 LYS 36 - HE3 LYS 26 far 10 100 10 - 3.6-25.8 HD2 LYS 24 - HE2 LYS 19 far 10 100 10 - 5.2-19.0 HD2 LYS 36 - HE3 LYS 31 far 10 98 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 98 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 8 83 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 7 99 25 28 4.2-18.5 2631/5.1=1, 632/3.8=1, 307/3.8=1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD2 LYS 31 - HE3 LYS 26 far 5 100 5 - 5.2-17.8 HD3 LYS 31 - HE2 LYS 24 far 5 98 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 98 5 - 4.9-15.3 HD3 LYS 36 - HE3 LYS 31 far 5 98 5 - 4.8-13.8 HD3 LYS 31 - HE3 LYS 24 far 4 87 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 4 87 5 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 100 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 100 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 99 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 99 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 98 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 100 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 98 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 99 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 99 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 86 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 86 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 98 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 92 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 79 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 92 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 98 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 98 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 98 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 50 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 94 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 97 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 86 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 98 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 96 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 87 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 99 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 86 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 55 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 92 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 64 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 96 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 86 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 80 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 96 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 99 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 99 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 99 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 94 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 92 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 98 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 76 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 80 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 95 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 97 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 91 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 873 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 * HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 97 97 - 100 HE3 LYS 31 + HE3 LYS 31 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 79 79 - 100 HE3 LYS 86 + HE3 LYS 86 OK 70 70 - 100 Peak 874 from aliabs.peaks (2.95, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 99 99 - 100 HE2 LYS 31 + HE2 LYS 31 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 36 + HE3 LYS 36 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 98 98 - 100 HE2 LYS 24 + HE2 LYS 24 OK 98 98 - 100 HE3 LYS 26 + HE3 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 85 85 - 100 HE3 LYS 86 + HE3 LYS 86 OK 71 71 - 100 Reference assignment not found: HE3 LYS 31 - HE2 LYS 31 Peak 877 from aliabs.peaks (4.27, 2.95, 41.80 ppm; 4.54 A): 14 out of 165 assignments used, quality = 1.00: HA LYS 19 + HE2 LYS 19 OK 92 100 100 93 3.2-5.7 6.4=36, 627/3.8=22...(34) HA LYS 19 + HE3 LYS 19 OK 92 100 100 93 2.0-5.4 6.4=36, 627/3.8=22...(34) * HA LYS 31 + HE3 LYS 31 OK 91 100 100 91 2.5-5.6 6.5=35, 822/3.7=23...(28) HA LYS 31 + HE2 LYS 31 OK 89 98 100 91 1.9-5.7 6.5=35, 822/3.7=23...(28) HA LYS 26 + HE3 LYS 26 OK 82 94 100 88 3.4-6.0 6.6=33, 627/3.6=24...(23) HA LYS 26 + HE2 LYS 26 OK 77 98 90 88 2.7-6.4 6.6=33, 627/3.6=24...(23) HA LYS 36 + HE3 LYS 36 OK 71 88 85 95 2.9-6.5 6.0=44, 3.0/1064=28...(24) HA LYS 36 + HE2 LYS 36 OK 58 88 70 95 3.9-6.2 6.0=44, 3.0/1064=26...(24) HA PHE 87 + HE3 LYS 86 OK 34 73 55 84 3.9-7.4 4.9/11332=32...(11) HA LYS 19 + HE2 LYS 24 OK 33 100 40 83 1.9-16.1 11770=5, 822/4.0=5...(45) HA LYS 19 + HE3 LYS 24 OK 31 98 40 79 2.9-16.7 11770=5, 822/4.0=5...(22) HA THR 25 + HE2 LYS 24 OK 27 83 40 83 2.0-8.6 9587=22, 11128/5.1=19...(16) HA THR 18 + HE3 LYS 19 OK 27 96 40 71 4.3-9.2 10686/3.8=42, 226/7.3=23...(7) HA THR 25 + HE2 LYS 26 OK 24 78 40 78 2.9-9.2 582/7.1=20, 11150/3.6=18...(13) HA ALA 21 - HE3 LYS 24 poor 20 67 30 - 2.0-13.7 HA THR 25 - HE3 LYS 26 poor 20 73 35 78 2.2-9.3 582/7.1=20, 9587=18...(13) HA LYS 26 - HE3 LYS 31 poor 20 100 20 - 4.4-13.1 HA GLN 27 - HE3 LYS 26 poor 20 66 30 - 3.7-8.8 HA LYS 26 - HE2 LYS 31 poor 20 98 20 - 5.0-12.6 HA ALA 15 - HE3 LYS 19 poor 19 97 20 - 2.0-14.9 HA LYS 31 - HE3 LYS 36 poor 19 97 20 - 4.8-12.9 HA THR 25 - HE3 LYS 24 poor 19 78 30 81 2.3-9.0 11128/5.1=19...(14) HA THR 18 - HE2 LYS 19 poor 17 96 25 71 2.7-8.8 10686/3.8=42, 226/7.3=23...(7) HA ARG 23 - HE2 LYS 26 poor 17 96 35 49 2.7-12.5 3.8/11618=7, 627/3.6=2...(8) HA ARG 23 - HE3 LYS 26 poor 16 91 35 50 2.0-13.5 3.8/11618=5, 627/3.6=2...(10) HA LEU 22 - HE2 LYS 24 far 15 100 15 - 3.0-11.0 HA LYS 31 - HE2 LYS 26 far 15 98 15 - 5.0-18.9 HA ALA 15 - HE2 LYS 19 far 15 97 15 - 2.2-14.3 HA LEU 22 - HE3 LYS 24 far 15 97 15 - 1.9-11.8 HA GLN 27 - HE2 LYS 26 poor 14 72 20 - 3.2-8.6 HA LYS 31 - HE3 LYS 26 far 14 94 15 - 5.3-18.9 HA ALA 12 - HE2 LYS 19 far 14 91 15 - 3.7-20.1 HA ALA 12 - HE3 LYS 19 far 14 91 15 - 4.5-19.2 HA LYS 36 - HE3 LYS 26 far 13 84 15 - 3.5-29.4 HA THR 25 - HE3 LYS 31 far 12 83 15 - 2.8-14.8 HA ALA 21 - HE2 LYS 24 far 11 71 15 - 2.6-12.5 HA GLN 27 - HE3 LYS 36 far 11 70 15 - 3.3-19.2 HA GLN 27 - HE2 LYS 36 far 11 70 15 - 4.2-18.7 HA LYS 26 - HE2 LYS 36 far 10 97 10 - 5.2-22.3 HA THR 18 - HE2 LYS 24 far 10 97 10 - 4.8-17.4 HA ARG 23 - HE3 LYS 24 far 10 96 10 - 5.5-9.3 HA ARG 23 - HE2 LYS 36 far 9 94 10 - 5.7-25.3 HA LYS 36 - HE2 LYS 26 far 9 89 10 - 3.2-29.7 HA THR 25 - HE2 LYS 31 far 8 78 10 - 3.1-14.8 HA ALA 28 - HE3 LYS 26 far 6 59 10 - 5.4-11.4 HA LYS 26 - HE2 LYS 24 far 5 100 5 - 5.6-11.4 HA LYS 31 - HE2 LYS 24 far 5 100 5 - 6.0-19.7 HA LYS 31 - HE2 LYS 19 far 5 100 5 - 5.1-27.7 HA LYS 31 - HE3 LYS 19 far 5 100 5 - 5.6-27.5 HA ALA 16 - HE3 LYS 31 far 5 99 5 - 5.0-28.0 HA ALA 16 - HE2 LYS 24 far 5 99 5 - 5.1-21.6 HA ALA 16 - HE3 LYS 19 far 5 99 5 - 4.9-11.6 HA ALA 16 - HE2 LYS 19 far 5 99 5 - 5.1-12.4 HA ALA 15 - HE2 LYS 24 far 5 98 5 - 3.2-24.3 HA GLN 61 - HE2 LYS 24 far 5 98 5 - 5.8-25.5 HA ALA 15 - HE3 LYS 31 far 5 98 5 - 5.9-26.5 HA LEU 22 - HE2 LYS 26 far 5 97 5 - 4.0-14.7 HA LYS 31 - HE2 LYS 36 far 5 97 5 - 5.5-13.1 HA ALA 16 - HE3 LYS 24 far 5 97 5 - 5.5-21.7 HA THR 18 - HE3 LYS 31 far 5 97 5 - 5.3-25.8 HA ALA 109 - HE2 LYS 26 far 5 96 5 - 5.8-33.8 HA GLN 61 - HE2 LYS 26 far 5 95 5 - 2.5-26.5 HA ALA 15 - HE3 LYS 24 far 5 95 5 - 2.7-24.2 HA ALA 15 - HE2 LYS 31 far 5 95 5 - 5.4-27.5 HA THR 18 - HE3 LYS 24 far 5 93 5 - 4.1-17.6 HA THR 18 - HE2 LYS 31 far 5 93 5 - 5.9-25.3 HA LEU 22 - HE3 LYS 26 far 5 93 5 - 5.2-15.2 HA ALA 109 - HE3 LYS 26 far 5 92 5 - 4.2-32.2 HA ALA 108 - HE3 LYS 26 far 5 92 5 - 4.9-30.3 HA THR 18 - HE3 LYS 36 far 5 92 5 - 5.0-33.6 HA GLN 61 - HE3 LYS 26 far 4 90 5 - 3.6-26.6 HA ALA 110 - HE3 LYS 26 far 4 84 5 - 5.9-33.9 HA THR 25 - HE2 LYS 36 far 4 77 5 - 4.9-23.1 HA THR 25 - HE3 LYS 36 far 4 77 5 - 5.5-23.8 HA GLN 27 - HE3 LYS 31 far 4 76 5 - 5.0-12.1 HA ALA 28 - HE2 LYS 26 far 3 64 5 - 5.8-11.2 HA ARG 23 - HE2 LYS 31 far 0 96 0 - 6.0-17.4 HA ARG 23 - HE3 LYS 36 far 0 94 0 - 6.1-25.9 HA ARG 23 - HE2 LYS 24 far 0 99 0 - 6.3-9.4 HA ALA 16 - HE3 LYS 36 far 0 96 0 - 6.3-32.1 HA ALA 28 - HE3 LYS 31 far 0 68 0 - 6.3-12.6 HA ALA 16 - HE2 LYS 31 far 0 97 0 - 6.3-27.2 HA GLN 61 - HE3 LYS 24 far 0 95 0 - 6.3-26.7 HA LYS 36 - HE2 LYS 24 far 0 93 0 - 6.4-29.6 HA GLN 61 - HE3 LYS 31 far 0 98 0 - 6.4-25.1 HA GLN 27 - HE3 LYS 24 far 0 72 0 - 6.5-14.9 HA ALA 28 - HE3 LYS 36 far 0 63 0 - 6.5-17.6 HA ALA 21 - HE3 LYS 36 far 0 65 0 - 6.5-28.1 HA THR 18 - HE2 LYS 36 far 0 92 0 - 6.5-32.9 HA ALA 109 - HE3 LYS 19 far 0 98 0 - 6.5-51.9 HA GLN 61 - HE2 LYS 31 far 0 95 0 - 6.6-24.3 HA ALA 108 - HE2 LYS 26 far 0 96 0 - 6.6-31.8 HA LYS 26 - HE3 LYS 24 far 0 98 0 - 6.6-11.5 HA ALA 28 - HE3 LYS 24 far 0 64 0 - 6.7-14.6 HA LYS 26 - HE3 LYS 36 far 0 97 0 - 6.7-22.7 HA GLN 27 - HE2 LYS 31 far 0 72 0 - 6.7-11.5 HA LYS 19 - HE3 LYS 31 far 0 100 0 - 6.8-26.4 HA ALA 28 - HE2 LYS 31 far 0 64 0 - 6.8-12.9 HA ALA 21 - HE2 LYS 26 far 0 67 0 - 6.8-17.6 HA ALA 108 - HE3 LYS 31 far 0 99 0 - 6.8-33.7 HA ARG 84 - HE3 LYS 86 far 0 46 0 - 7.1-8.5 HA ALA 108 - HE3 LYS 19 far 0 98 0 - 7.1-50.0 HA ARG 23 - HE3 LYS 31 far 0 99 0 - 7.1-18.5 HA LYS 36 - HE3 LYS 31 far 0 93 0 - 7.1-15.1 HA ALA 21 - HE2 LYS 36 far 0 65 0 - 7.2-27.3 HA GLN 27 - HE2 LYS 24 far 0 76 0 - 7.2-14.8 HA ALA 21 - HE3 LYS 31 far 0 71 0 - 7.2-21.7 HA LYS 31 - HE3 LYS 24 far 0 98 0 - 7.3-20.2 HA LYS 36 - HE2 LYS 31 far 0 89 0 - 7.3-13.7 HA LYS 36 - HE3 LYS 24 far 0 89 0 - 7.3-29.3 HA LYS 19 - HE2 LYS 31 far 0 98 0 - 7.4-25.6 HA THR 25 - HE2 LYS 19 far 0 82 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 89 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 67 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 98 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 82 0 - 7.5-20.7 HA ALA 28 - HE2 LYS 36 far 0 63 0 - 7.5-16.9 HA ALA 108 - HE2 LYS 31 far 0 96 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 96 0 - 7.5-31.5 HA ALA 28 - HE2 LYS 24 far 0 68 0 - 7.6-14.9 HA LYS 19 - HE2 LYS 26 far 0 98 0 - 7.6-22.7 HA ALA 21 - HE3 LYS 26 far 0 62 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 98 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 97 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 70 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 88 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 99 0 - 8.0-13.0 HA ALA 110 - HE3 LYS 19 far 0 92 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 100 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 94 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 97 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 92 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 96 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 99 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 100 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 83 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 56 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 94 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 100 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 70 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 99 0 - 8.9-40.0 HA ALA 28 - HE3 LYS 19 far 0 67 0 - 8.9-24.7 HA LYS 19 - HE3 LYS 26 far 0 94 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 88 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 94 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 94 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 92 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 96 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 92 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 92 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 97 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 81 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 88 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 95 0 - 9.6-27.2 HA ALA 28 - HE2 LYS 19 far 0 67 0 - 9.7-25.6 HA LYS 19 - HE2 LYS 36 far 0 97 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 99 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 93 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 94 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 96 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 93 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 96 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 87 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 878 from aliabs.peaks (1.74, 2.95, 41.80 ppm; 5.39 A): 18 out of 60 assignments used, quality = 1.00: * HB2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 1.8-4.7 4.8=100 HB2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-4.5 5.1=100 HB2 LYS 19 + HE3 LYS 19 OK 100 100 100 100 2.8-5.0 5.1=100 HB2 LYS 19 + HE2 LYS 19 OK 100 100 100 100 3.2-5.1 5.1=100 HB2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-4.9 4.8=100 HB2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 3.1-5.1 5.1=100 HB2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-5.2 4.8=100 HB2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.6-5.5 4.8=100 HB ILE 80 + HE3 LYS 86 OK 66 69 95 100 2.3-7.3 ~11243=72, 9713/3.7=64...(24) HB2 LYS 31 + HE2 LYS 26 OK 52 98 55 96 3.2-17.5 639/3.6=8, 628/3.6=8...(148) HG3 ARG 90 + HE3 LYS 86 OK 51 71 75 96 4.2-9.7 11303/9660=73...(8) HB2 LYS 31 + HE3 LYS 26 OK 45 94 50 95 3.4-17.3 639/3.6=8, 628/3.6=8...(135) HB2 LYS 19 + HE3 LYS 24 OK 36 98 40 92 5.3-18.0 823/4.0=5, 1.8/2634=4...(120) HB2 ARG 23 + HE2 LYS 26 OK 32 95 55 62 3.9-14.3 3.0/11618=11, ~11618=6...(39) HB2 LYS 26 + HE3 LYS 31 OK 30 100 35 86 4.2-12.2 834/3.7=7, 823/3.7=7...(102) HB2 LYS 19 + HE2 LYS 24 OK 28 100 30 92 4.1-17.5 823/4.0=5, 1.8/2634=5...(131) HB2 LYS 26 + HE2 LYS 31 OK 25 98 30 86 4.4-12.8 834/3.7=7, 823/3.7=7...(103) HB2 ARG 23 + HE3 LYS 26 OK 25 90 45 61 3.3-14.8 ~11618=8, 3.0/11618=7...(41) HB2 LYS 31 - HE2 LYS 36 poor 19 97 20 - 3.5-12.9 HB2 LYS 31 - HE3 LYS 36 poor 19 97 20 - 4.9-12.6 HB2 LYS 26 - HE2 LYS 36 poor 19 97 20 - 3.3-22.3 HB2 LYS 26 - HE3 LYS 36 poor 19 97 20 - 4.9-22.7 HB2 LYS 24 - HE3 LYS 26 poor 19 94 20 - 5.3-12.3 HB2 LYS 24 - HE2 LYS 19 poor 19 100 30 62 3.8-18.2 613=2, 305/2.9=2...(29) HB2 LYS 24 - HE3 LYS 19 poor 16 100 30 54 4.9-17.5 2.9/532=2, 305/2.9=2...(21) HB2 ARG 23 - HE2 LYS 24 far 15 98 15 - 6.2-11.2 HB2 ARG 23 - HE3 LYS 24 far 14 95 15 - 5.8-11.2 HB2 LYS 26 - HE2 LYS 24 far 10 100 10 - 4.0-13.1 HB2 LYS 31 - HE2 LYS 24 far 10 100 10 - 4.9-20.2 HB2 LYS 19 - HE3 LYS 31 far 10 100 10 - 5.9-25.9 HB2 LYS 19 - HE2 LYS 31 far 10 98 10 - 5.2-25.0 HB2 ARG 23 - HE2 LYS 36 far 9 94 10 - 3.8-23.4 HB2 ARG 23 - HE3 LYS 36 far 9 94 10 - 4.0-24.1 HB2 LYS 24 - HE3 LYS 31 far 5 100 5 - 6.7-18.7 HB2 LYS 26 - HE3 LYS 24 far 5 98 5 - 4.4-13.6 HB2 ARG 23 - HE3 LYS 31 far 5 98 5 - 5.7-20.0 HB2 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.8-20.7 HB2 LYS 19 - HE2 LYS 26 far 5 98 5 - 6.8-24.3 HB2 LYS 24 - HE2 LYS 31 far 5 98 5 - 6.9-18.8 HB2 LYS 24 - HE2 LYS 36 far 5 97 5 - 1.9-26.5 HB2 LYS 24 - HE3 LYS 36 far 5 97 5 - 3.6-27.4 HB2 LYS 24 - HE2 LYS 26 lone 4 98 30 14 5.6-12.3 11151/9587=4, 834/3.6=2 HB2 ARG 23 - HE2 LYS 31 far 0 95 0 - 7.1-18.8 HB2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.1-27.9 HB3 LEU 70 - HE2 LYS 36 far 0 55 0 - 7.2-17.1 HB2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.3-27.5 HB2 ARG 23 - HE3 LYS 19 far 0 97 0 - 7.5-16.1 HB3 LEU 70 - HE3 LYS 36 far 0 55 0 - 7.6-17.6 HB2 LYS 19 - HE3 LYS 26 far 0 94 0 - 8.0-24.1 HB2 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.2-24.9 HB2 LYS 19 - HE3 LYS 36 far 0 97 0 - 8.6-31.3 HB2 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.6-23.4 HB2 LYS 39 - HE3 LYS 36 far 0 79 0 - 8.9-15.9 HB3 LEU 70 - HE2 LYS 31 far 0 56 0 - 8.9-21.5 HB2 ARG 23 - HE2 LYS 19 far 0 97 0 - 8.9-16.3 HB3 LEU 70 - HE3 LYS 31 far 0 60 0 - 9.1-20.8 HG13 ILE 129 - HE3 LYS 86 far 0 72 0 - 9.4-13.0 HB2 LYS 39 - HE2 LYS 36 far 0 79 0 - 9.7-15.5 HG LEU 100 - HE3 LYS 31 far 0 57 0 - 9.8-22.1 HB2 LYS 39 - HE3 LYS 24 far 0 81 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 879 from aliabs.peaks (1.81, 2.95, 41.80 ppm; 5.38 A): 27 out of 75 assignments used, quality = 1.00: * HB3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-5.0 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.0-5.1 5.1=100 HB3 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.3-4.8 5.1=100 HB3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.0-5.2 4.8=100 HB3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.8-5.3 5.1=100 HB3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 3.3-5.0 4.8=100 HB2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.5 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 3.3-4.7 4.9=100 HB3 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.0-5.4 4.8=100 HB ILE 32 + HE2 LYS 36 OK 77 97 80 100 3.4-7.6 10833/3.0=26, ~10837=25...(57) HB ILE 32 + HE3 LYS 36 OK 72 97 75 99 2.0-7.9 2.1/10766=27...(56) HB2 LYS 86 + HE3 LYS 86 OK 56 56 100 100 3.0-3.5 4.9=100 HB ILE 32 + HE2 LYS 26 OK 55 98 60 93 4.8-19.8 2.1/10840=14, 10825=13...(60) HB ILE 32 + HE2 LYS 31 OK 54 98 60 92 4.3-9.5 10825=13, 3.2/10804=12...(60) HB ILE 32 + HE3 LYS 26 OK 52 94 60 93 4.6-19.4 2.1/10766=14, 10825=13...(60) HB3 LYS 31 + HE2 LYS 26 OK 51 98 55 95 2.2-19.2 629/3.6=9, 640/3.6=6...(133) HB ILE 32 + HE3 LYS 31 OK 42 100 45 92 4.6-10.3 10825/1.8=11...(60) HB3 LYS 31 + HE3 LYS 26 OK 40 94 45 95 3.3-19.0 629/3.6=9, 640/3.6=6...(120) HB3 LYS 19 + HE3 LYS 24 OK 39 97 45 89 3.9-16.9 2634=4, 3.0/11770=4...(120) HB2 LYS 36 + HE3 LYS 26 OK 32 93 45 77 2.6-28.9 1.8/1003=12, ~1004=9...(27) HB3 LYS 19 + HE2 LYS 24 OK 31 100 35 90 2.6-16.3 2634=4, 3.0/11770=4...(117) HB3 ARG 23 + HE2 LYS 26 OK 30 97 50 61 3.0-13.9 3.0/11618=11, ~11618=6...(41) HB3 ARG 23 + HE3 LYS 26 OK 28 92 50 60 2.6-15.2 ~11618=8, 3.0/11618=7...(42) HB2 LYS 36 + HE2 LYS 26 OK 28 97 35 81 2.4-29.4 1.8/1004=11, ~1004=9...(35) HB3 LYS 26 + HE3 LYS 31 OK 26 100 30 87 4.4-13.0 1019/3.7=6, 835/3.7=5...(94) HB3 LYS 26 + HE2 LYS 31 OK 25 98 30 87 3.9-12.8 1019/3.7=6, 835/3.7=5...(96) HB3 LYS 24 - HE2 LYS 19 poor 20 100 20 - 3.5-17.2 HB3 LYS 26 - HE2 LYS 36 poor 19 97 20 - 4.2-22.7 HB3 LYS 24 - HE3 LYS 26 poor 19 94 20 - 4.8-12.9 HB3 LYS 24 - HE3 LYS 19 poor 15 100 25 61 4.6-17.1 2.9/532=2, 240/6.4=1...(32) HB2 LYS 36 - HE3 LYS 31 far 15 100 15 - 5.6-14.2 HB2 LYS 36 - HE2 LYS 31 far 15 97 15 - 6.2-12.8 HB3 LYS 31 - HE3 LYS 36 far 15 97 15 - 4.9-14.1 HB3 LYS 31 - HE2 LYS 36 far 15 97 15 - 5.3-14.3 HB3 LYS 31 - HE2 LYS 24 far 10 100 10 - 6.0-19.3 HB3 ARG 23 - HE3 LYS 31 far 10 99 10 - 5.4-20.0 HB3 ARG 23 - HE2 LYS 36 far 10 96 10 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 36 far 10 96 10 - 4.4-24.0 HB3 LYS 26 - HE2 LYS 24 far 5 100 5 - 5.2-13.2 HB3 LYS 31 - HE2 LYS 19 far 5 100 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 19 far 5 100 5 - 6.2-27.1 HB2 LYS 36 - HE2 LYS 24 far 5 100 5 - 6.1-29.9 HB3 LYS 31 - HE3 LYS 24 far 5 98 5 - 6.7-20.0 HB3 LYS 26 - HE3 LYS 24 far 5 98 5 - 6.0-13.6 HB3 LYS 24 - HE2 LYS 36 far 5 97 5 - 3.5-25.9 HB3 LYS 19 - HE2 LYS 26 far 5 97 5 - 6.1-23.7 HB3 LYS 19 - HE2 LYS 31 far 5 97 5 - 6.5-26.1 HB3 LYS 24 - HE3 LYS 36 far 5 97 5 - 5.2-26.7 HB3 ARG 23 - HE2 LYS 31 far 5 97 5 - 6.3-18.9 HB3 LYS 26 - HE3 LYS 36 lone 4 97 25 17 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LYS 24 - HE2 LYS 26 lone 4 98 35 10 5.5-13.1 985/9587=1 HB3 LEU 98 - HE2 LYS 24 far 3 60 5 - 6.6-34.7 HB2 CYS 79 - HE3 LYS 86 far 3 56 5 - 6.5-10.0 HB3 LEU 98 - HE3 LYS 24 far 3 56 5 - 6.5-36.2 HB3 ARG 23 - HE3 LYS 24 far 0 97 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 99 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 100 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 97 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 93 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 98 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 100 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 72 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 60 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 98 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 75 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 100 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 74 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 71 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 96 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 81 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 880 from aliabs.peaks (1.46, 2.95, 41.80 ppm; 5.06 A): 21 out of 68 assignments used, quality = 1.00: * HG2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-3.9 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.3-4.1 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.5 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.2-4.2 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 84 84 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 84 84 100 100 2.3-3.8 3.8=100 HG2 LYS 26 + HE2 LYS 26 OK 64 64 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 59 59 100 100 2.0-4.0 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 55 55 100 100 3.3-3.7 3.7=100 HG13 ILE 32 + HE3 LYS 36 OK 37 58 65 98 3.2-9.5 3.2/10766=24, ~10767=21...(65) HG13 ILE 32 + HE2 LYS 36 OK 31 58 55 98 2.8-9.0 3.2/10766=21, ~10767=21...(65) HG13 ILE 32 + HE2 LYS 31 OK 27 59 55 85 2.3-9.1 2.1/10804=13, 6333/7.1=9...(48) HG2 LYS 31 + HE3 LYS 26 OK 27 94 30 96 5.3-19.4 823/4.8=5, 5.0/6337=4...(178) HG3 LYS 36 + HE2 LYS 26 OK 27 98 35 78 4.5-27.4 3.0/1004=9...(24) HG13 ILE 32 + HE3 LYS 26 OK 26 54 55 87 2.0-17.3 ~10767=13, 3.2/10766=12...(46) HG13 ILE 32 + HE2 LYS 26 OK 26 59 50 88 2.1-17.7 ~10767=13, 2.1/9008=12...(47) HG13 ILE 32 + HE3 LYS 31 OK 24 63 45 86 2.0-9.6 2.1/9008=11, ~10804=10...(53) HG3 LYS 19 + HE2 LYS 24 OK 23 85 30 89 3.4-18.5 3.0/2634=4, 4.2/11770=3...(136) HG3 LYS 36 + HE3 LYS 26 OK 21 94 30 76 4.4-26.9 3.0/1003=9...(31) HG2 LYS 31 - HE2 LYS 26 poor 20 98 20 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 36 poor 19 97 20 - 5.4-14.2 HG3 LYS 24 - HE3 LYS 19 poor 19 97 30 64 4.5-18.1 823/5.1=3, 822/6.4=3...(9) HG2 LYS 26 - HE2 LYS 36 poor 19 63 30 - 4.1-24.5 HG3 LYS 19 - HE3 LYS 24 poor 17 81 25 86 4.8-19.1 3.0/2634=3, 4.2/11770=3...(92) HG3 LYS 24 - HE2 LYS 19 poor 16 97 25 65 3.7-17.8 823/5.1=3, 822/6.4=3...(12) HG2 LYS 26 - HE3 LYS 36 poor 16 63 25 - 3.8-24.9 HG3 LYS 36 - HE2 LYS 31 far 15 98 15 - 4.4-14.3 HG2 LYS 31 - HE2 LYS 36 far 15 97 15 - 4.9-14.4 HG2 LYS 26 - HE2 LYS 31 poor 13 64 20 - 5.4-15.0 HG2 LYS 31 - HE2 LYS 24 far 10 100 10 - 3.3-18.4 HG3 LYS 36 - HE3 LYS 31 far 10 100 10 - 3.7-15.5 HG3 LYS 24 - HE3 LYS 26 far 9 90 10 - 6.5-13.4 HG2 LYS 26 - HE3 LYS 31 far 7 68 10 - 6.0-14.4 HG3 LYS 36 - HE2 LYS 24 far 5 100 5 - 4.6-28.4 HG2 LYS 31 - HE3 LYS 24 far 5 98 5 - 4.0-19.0 HG3 LYS 36 - HE3 LYS 24 far 5 98 5 - 6.2-28.3 HG3 LYS 24 - HE2 LYS 36 far 5 94 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 5 94 5 - 4.8-25.5 HG2 LYS 26 - HE2 LYS 24 far 3 68 5 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 3 64 5 - 6.0-13.5 HG3 LYS 24 - HE2 LYS 26 far 0 95 0 - 6.7-12.9 QB ALA 52 - HE3 LYS 19 far 0 75 0 - 6.9-30.9 QB ALA 52 - HE3 LYS 24 far 0 72 0 - 7.0-24.3 QB ALA 52 - HE2 LYS 24 far 0 76 0 - 7.1-25.0 HG3 LYS 19 - HE3 LYS 31 far 0 85 0 - 7.1-28.4 HG2 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.3-26.2 QB ALA 52 - HE2 LYS 26 far 0 72 0 - 7.4-24.3 HG3 LYS 19 - HE2 LYS 31 far 0 81 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 63 0 - 7.8-19.0 HG2 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 81 0 - 8.0-25.3 QB ALA 52 - HE2 LYS 19 far 0 75 0 - 8.1-30.6 HG3 LYS 24 - HE3 LYS 31 far 0 98 0 - 8.2-17.8 QB ALA 52 - HE3 LYS 26 far 0 66 0 - 8.2-24.6 HG13 ILE 32 - HE3 LYS 19 far 0 62 0 - 8.4-27.1 QB ALA 52 - HE3 LYS 36 far 0 70 0 - 8.5-17.5 HG3 LYS 24 - HE2 LYS 31 far 0 95 0 - 8.5-17.7 HG13 ILE 32 - HE2 LYS 19 far 0 62 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 40 0 - 8.8-11.2 HG13 ILE 32 - HE3 LYS 24 far 0 59 0 - 8.9-19.1 QB ALA 52 - HE2 LYS 36 far 0 70 0 - 9.0-16.4 HG3 LYS 19 - HE3 LYS 26 far 0 75 0 - 9.3-25.2 QB ALA 52 - HE3 LYS 31 far 0 76 0 - 9.4-24.2 HG3 LYS 19 - HE3 LYS 36 far 0 79 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 100 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 61 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 881 from aliabs.peaks (1.39, 2.95, 41.80 ppm; 4.35 A): 11 out of 134 assignments used, quality = 1.00: * HG3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.0-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 98 98 100 100 2.0-3.9 4.0=100 HG3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.4-4.2 3.7=100 HG3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.0-3.5 3.6=100 HG2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.6-4.2 4.0=100 HG2 LYS 24 + HE3 LYS 24 OK 95 95 100 100 2.1-4.2 4.0=100 HG3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.1-4.1 3.6=100 HG2 LYS 19 + HE3 LYS 19 OK 91 91 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 91 91 100 100 2.3-3.2 3.8=100 HG2 LYS 86 + HE3 LYS 86 OK 38 38 100 100 2.0-2.9 3.7=100 QB ALA 28 - HE3 LYS 31 poor 20 100 20 - 4.1-9.8 QB ALA 15 - HE3 LYS 31 poor 20 100 20 - 4.6-22.3 QB ALA 15 - HE3 LYS 19 poor 20 99 20 - 2.1-13.2 QB ALA 29 - HE3 LYS 31 poor 20 99 20 - 4.8-10.3 QB ALA 16 - HE2 LYS 19 poor 20 99 20 - 4.4-10.6 HG3 LYS 31 - HE2 LYS 26 poor 20 98 20 - 4.3-18.5 QB ALA 28 - HE3 LYS 24 poor 20 98 20 - 5.3-13.7 HG3 LYS 31 - HE2 LYS 36 poor 19 97 20 - 4.3-14.3 QB ALA 29 - HE2 LYS 31 poor 19 96 20 - 4.3-10.0 QB ALA 29 - HE2 LYS 36 poor 19 95 20 - 5.2-11.0 HG2 LYS 36 - HE3 LYS 26 poor 19 93 20 - 5.1-26.6 HG2 LYS 19 - HE2 LYS 24 poor 18 92 20 - 2.9-18.6 QB ALA 29 - HE3 LYS 26 poor 18 92 20 - 4.0-12.1 HG2 LYS 19 - HE3 LYS 24 poor 18 88 20 - 3.9-19.3 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.0-11.7 QB ALA 16 - HE3 LYS 19 far 15 99 15 - 3.5-9.7 QB ALA 15 - HE2 LYS 31 far 15 98 15 - 3.9-23.1 HG3 LYS 26 - HE2 LYS 31 far 15 98 15 - 5.0-15.0 HG2 LYS 24 - HE2 LYS 19 far 15 97 15 - 4.3-16.8 HG2 LYS 36 - HE2 LYS 26 far 15 97 15 - 5.0-27.0 HG3 LYS 31 - HE3 LYS 36 far 15 97 15 - 4.5-14.3 HG3 LYS 26 - HE3 LYS 36 far 14 96 15 - 4.4-24.9 QB ALA 29 - HE2 LYS 26 far 14 96 15 - 4.1-12.1 QB ALA 29 - HE3 LYS 36 far 14 95 15 - 5.3-11.4 HG3 LYS 31 - HE3 LYS 26 far 14 94 15 - 4.8-18.3 QB ALA 28 - HE2 LYS 24 far 10 100 10 - 4.5-13.8 HG3 LYS 26 - HE3 LYS 31 far 10 100 10 - 5.8-14.5 HG2 LYS 24 - HE3 LYS 19 far 10 97 10 - 3.6-18.0 HG3 LYS 26 - HE2 LYS 36 far 10 96 10 - 4.6-24.5 HB2 LEU 42 - HE3 LYS 36 far 9 90 10 - 5.0-13.1 QB ALA 34 - HE2 LYS 36 far 8 55 15 - 5.1-8.4 QB ALA 28 - HE2 LYS 31 poor 6 98 25 24 4.7-10.1 ~10771=14, 6334/7.1=5 QB ALA 15 - HE2 LYS 24 far 5 100 5 - 2.0-19.1 HG3 LYS 31 - HE2 LYS 24 far 5 100 5 - 4.1-18.0 HG3 LYS 95 - HE2 LYS 24 far 5 100 5 - 5.2-35.1 HG3 LYS 26 - HE2 LYS 24 far 5 100 5 - 5.0-12.3 HG2 LYS 95 - HE2 LYS 24 far 5 100 5 - 5.7-34.8 QB ALA 109 - HE3 LYS 19 far 5 100 5 - 4.7-41.8 QB ALA 16 - HE2 LYS 24 far 5 99 5 - 3.4-18.8 QB ALA 109 - HE2 LYS 19 far 5 100 5 - 5.1-43.2 HG2 LYS 36 - HE3 LYS 31 far 5 100 5 - 5.1-14.9 QB ALA 28 - HE3 LYS 19 far 5 100 5 - 5.7-22.4 QB ALA 16 - HE3 LYS 31 far 5 99 5 - 5.0-24.1 QB ALA 29 - HE2 LYS 24 far 5 99 5 - 5.6-13.5 HG3 LYS 95 - HE3 LYS 24 far 5 98 5 - 4.2-36.6 QB ALA 15 - HE3 LYS 24 far 5 98 5 - 2.0-19.1 HG3 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.2-18.7 HG2 LYS 95 - HE3 LYS 24 far 5 98 5 - 4.3-36.3 QB ALA 110 - HE2 LYS 26 far 5 98 5 - 4.9-30.1 HG3 LYS 26 - HE3 LYS 24 far 5 98 5 - 5.5-12.7 HG2 LYS 36 - HE2 LYS 31 far 5 97 5 - 5.3-13.7 QB ALA 16 - HE3 LYS 24 far 5 97 5 - 4.4-18.8 QB ALA 16 - HE2 LYS 31 far 5 97 5 - 5.8-23.5 QB ALA 16 - HE3 LYS 36 far 5 96 5 - 5.5-25.6 QB ALA 28 - HE3 LYS 26 far 5 94 5 - 5.4-9.7 QB ALA 110 - HE3 LYS 26 far 5 94 5 - 4.0-28.9 QB ALA 109 - HE3 LYS 26 far 5 94 5 - 5.3-26.1 HG2 LYS 24 - HE2 LYS 36 far 5 94 5 - 4.2-26.3 HG2 LYS 24 - HE3 LYS 36 far 5 94 5 - 5.7-27.3 QB ALA 108 - HE3 LYS 26 far 5 92 5 - 5.8-24.3 HG2 LYS 24 - HE3 LYS 26 far 4 90 5 - 5.4-12.1 QB ALA 12 - HE3 LYS 24 far 3 64 5 - 5.0-19.7 QB ALA 34 - HE2 LYS 26 far 3 56 5 - 5.7-20.7 QB ALA 34 - HE3 LYS 36 far 3 55 5 - 5.3-9.2 QB ALA 12 - HE2 LYS 19 lone 0 67 35 1 4.2-15.0 QB ALA 12 - HE3 LYS 19 lone 0 67 30 2 4.2-15.1 HG2 LYS 24 - HE2 LYS 26 far 0 95 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 98 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 99 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 64 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 90 0 - 6.0-12.2 QB ALA 34 - HE3 LYS 24 far 0 56 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 52 0 - 6.1-21.1 QB ALA 12 - HE2 LYS 24 far 0 68 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 97 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 96 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 100 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 100 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 99 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 92 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 97 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 98 0 - 6.6-27.0 QB ALA 34 - HE2 LYS 24 far 0 60 0 - 6.7-22.8 HG3 LYS 31 - HE2 LYS 19 far 0 100 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 98 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 96 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 100 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 97 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 97 0 - 7.0-15.7 QB ALA 34 - HE2 LYS 31 far 0 56 0 - 7.0-12.5 QB ALA 108 - HE3 LYS 19 far 0 99 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 68 0 - 7.1-22.7 QB ALA 34 - HE3 LYS 31 far 0 60 0 - 7.1-12.4 QB ALA 108 - HE2 LYS 19 far 0 99 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 88 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 97 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 96 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 100 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 95 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 96 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 97 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 100 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 86 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 98 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 88 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 92 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 98 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 93 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 98 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 100 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 100 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 92 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 100 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 98 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 98 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 87 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 63 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 63 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 92 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 97 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 100 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 882 from aliabs.peaks (1.65, 2.95, 41.80 ppm; 4.10 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 99 99 100 100 2.4-3.0 2.9=100 HD3 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 96 96 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 92 92 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.5-3.0 3.0=100 HD3 LYS 24 - HE3 LYS 19 poor 20 100 20 - 3.7-17.8 HD2 LYS 26 - HE3 LYS 36 poor 19 96 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 19 95 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 19 95 20 - 3.8-24.9 HD3 LYS 36 - HE3 LYS 26 poor 18 92 20 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 26 poor 18 92 20 - 2.5-24.7 HD2 LYS 24 - HE3 LYS 19 far 15 99 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 15 99 15 - 5.2-19.0 HD3 LYS 36 - HE2 LYS 26 far 15 97 15 - 4.7-26.1 HD2 LYS 26 - HE2 LYS 36 far 14 96 15 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 26 far 14 96 15 - 3.3-25.2 HD2 LYS 19 - HE2 LYS 24 poor 10 100 35 29 2.6-17.0 3.9/2634=2, 3.0/531=1...(4) HD2 LYS 36 - HE3 LYS 31 far 10 99 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 99 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 10 97 10 - 2.9-18.4 HD2 LYS 31 - HE2 LYS 36 far 10 97 10 - 4.6-13.1 HD3 LYS 36 - HE2 LYS 31 far 10 97 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 10 96 10 - 3.1-14.2 HD3 LYS 26 - HE2 LYS 31 far 10 96 10 - 4.2-14.6 HD3 LYS 24 - HE2 LYS 19 poor 9 100 25 35 4.2-18.5 2632/5.1=2, 307/3.8=1...(4) HD3 LYS 19 - HE2 LYS 24 poor 8 99 30 29 2.7-18.2 3.9/2634=2, 3.0/531=1...(4) HD3 LYS 19 - HE3 LYS 24 poor 7 96 25 30 2.2-19.0 3.9/2634=2, 5.2/11770=2...(4) HD3 LYS 31 - HE2 LYS 24 far 5 100 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 36 - HE3 LYS 31 far 5 99 5 - 4.8-13.8 HD2 LYS 26 - HE2 LYS 31 far 5 98 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 26 far 5 98 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 5 98 5 - 5.3-36.2 HD3 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 36 far 5 97 5 - 5.3-12.3 HD2 LYS 24 - HE2 LYS 36 far 5 96 5 - 5.2-24.7 HD2 LYS 31 - HE3 LYS 26 far 5 94 5 - 5.2-17.8 HD3 LYS 31 - HE3 LYS 26 far 5 94 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 97 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 96 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 94 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 99 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 97 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 98 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 100 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 98 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 97 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 95 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 96 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 92 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 90 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 99 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 69 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 99 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 99 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 97 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 56 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 99 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 96 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 100 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 100 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 96 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 61 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 90 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 69 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 100 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 97 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 68 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 95 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 96 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 97 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 97 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 97 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 95 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 98 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 92 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 93 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 73 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 68 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 90 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 92 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 87 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 883 from aliabs.peaks (1.66, 2.95, 41.80 ppm; 4.10 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 98 98 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 98 98 100 100 2.4-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 98 98 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 98 98 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 98 98 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 97 97 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 97 97 100 100 2.3-3.0 2.9=100 HD2 LYS 36 + HE2 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 72 72 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 71 71 100 100 2.5-3.0 3.0=100 HD3 LYS 24 - HE3 LYS 19 poor 20 99 20 - 3.7-17.8 HD2 LYS 26 - HE3 LYS 36 poor 19 97 20 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 poor 19 96 20 - 2.9-24.6 HD3 LYS 26 - HE3 LYS 36 poor 19 96 20 - 3.8-24.9 HD3 LYS 36 - HE3 LYS 26 poor 19 94 20 - 3.6-25.8 HD2 LYS 36 - HE3 LYS 26 poor 19 93 20 - 2.5-24.7 HD2 LYS 24 - HE3 LYS 19 far 15 100 15 - 3.9-18.3 HD2 LYS 24 - HE2 LYS 19 far 15 100 15 - 5.2-19.0 HD3 LYS 36 - HE2 LYS 26 far 15 98 15 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 26 far 15 98 15 - 3.3-25.2 HD2 LYS 26 - HE2 LYS 36 far 15 97 15 - 1.9-25.5 HD2 LYS 19 - HE2 LYS 24 poor 10 99 35 29 2.6-17.0 3.9/2634=2, 3.0/531=2...(4) HD2 LYS 36 - HE3 LYS 31 far 10 100 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 100 10 - 4.6-14.9 HD3 LYS 36 - HE2 LYS 31 far 10 98 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 10 98 10 - 3.1-14.2 HD3 LYS 26 - HE2 LYS 31 far 10 98 10 - 4.2-14.6 HD2 LYS 31 - HE2 LYS 36 far 10 97 10 - 4.6-13.1 HD2 LYS 19 - HE3 LYS 24 far 10 96 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 9 99 25 34 4.2-18.5 2631/5.1=2, 632/3.8=1...(4) HD3 LYS 19 - HE2 LYS 24 poor 8 97 30 29 2.7-18.2 3.9/2634=2, 3.0/531=2...(4) HD3 LYS 19 - HE3 LYS 24 poor 7 94 25 30 2.2-19.0 3.9/2634=2, 5.2/11770=2...(4) HD3 LYS 31 - HE2 LYS 24 far 5 100 5 - 4.7-18.8 HD2 LYS 26 - HE3 LYS 31 far 5 100 5 - 4.9-15.3 HD3 LYS 36 - HE3 LYS 31 far 5 100 5 - 4.8-13.8 HD2 LYS 26 - HE2 LYS 31 far 5 98 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 26 far 5 98 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 24 far 5 98 5 - 5.0-18.2 HD3 LYS 95 - HE3 LYS 24 far 5 98 5 - 5.3-36.2 HD3 LYS 31 - HE2 LYS 36 far 5 97 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 36 far 5 97 5 - 5.3-12.3 HD2 LYS 24 - HE2 LYS 36 far 5 97 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 26 far 5 94 5 - 3.6-17.7 HD2 LYS 31 - HE3 LYS 26 far 5 94 5 - 5.2-17.8 HD2 LYS 31 - HE3 LYS 36 far 0 97 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 96 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 94 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 93 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 100 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 98 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 100 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 94 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 98 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 98 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 97 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 100 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 96 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 94 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 92 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 97 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 94 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 86 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 100 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 71 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 100 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 96 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 51 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 97 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 100 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 98 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 100 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 99 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 100 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 94 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 98 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 100 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 56 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 86 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 76 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 99 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 98 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 100 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 75 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 92 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 97 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 100 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 94 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 96 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 94 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 93 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 88 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 91 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 81 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 75 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 87 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 89 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 82 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 884 from aliabs.peaks (2.96, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 99 99 - 100 HE2 LYS 24 + HE2 LYS 24 OK 99 99 - 100 HE2 LYS 31 + HE2 LYS 31 OK 98 98 - 100 HE2 LYS 26 + HE2 LYS 26 OK 98 98 - 100 HE3 LYS 36 + HE3 LYS 36 OK 97 97 - 100 HE2 LYS 36 + HE2 LYS 36 OK 97 97 - 100 HE3 LYS 26 + HE3 LYS 26 OK 94 94 - 100 HE3 LYS 24 + HE3 LYS 24 OK 92 92 - 100 HE3 LYS 86 + HE3 LYS 86 OK 72 72 - 100 Reference assignment not found: HE2 LYS 31 - HE3 LYS 31 Peak 885 from aliabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 * HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 97 97 - 100 HE2 LYS 26 + HE2 LYS 26 OK 97 97 - 100 HE3 LYS 24 + HE3 LYS 24 OK 97 97 - 100 HE2 LYS 36 + HE2 LYS 36 OK 95 95 - 100 HE3 LYS 36 + HE3 LYS 36 OK 95 95 - 100 HE3 LYS 26 + HE3 LYS 26 OK 90 90 - 100 HE3 LYS 86 + HE3 LYS 86 OK 72 72 - 100 Peak 888 from aliabs.peaks (4.11, 4.11, 60.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 32 + HA ILE 32 OK 100 100 - 100 Peak 889 from aliabs.peaks (1.81, 4.11, 60.96 ppm; 3.03 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 32 + HA ILE 32 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 36 - HA ILE 32 poor 20 99 20 - 3.1-10.4 HB3 LYS 26 - HA ILE 32 poor 15 100 40 39 2.9-15.2 3.0/892=8, ~6343=5...(12) HB3 LYS 31 - HA ILE 32 far 10 100 10 - 4.0-5.8 HB3 LYS 24 - HA ILE 32 far 5 100 5 - 4.5-20.2 HB3 ARG 23 - HA ILE 32 far 0 99 0 - 5.9-20.8 HB3 LYS 19 - HA ILE 32 far 0 100 0 - 8.7-27.8 Violated in 0 structures by 0.00 A. Peak 890 from aliabs.peaks (0.84, 4.11, 60.96 ppm; 3.00 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 32 + HA ILE 32 OK 100 100 100 100 2.0-2.5 904=100, 6362/6360=51...(36) QD2 LEU 69 - HA ILE 32 far 0 65 0 - 7.5-12.7 QD2 LEU 70 - HA ILE 32 far 0 87 0 - 7.7-14.3 QD1 LEU 70 - HA ILE 32 far 0 65 0 - 7.7-15.3 QD2 LEU 22 - HA ILE 32 far 0 100 0 - 8.8-21.1 Violated in 0 structures by 0.00 A. Peak 891 from aliabs.peaks (1.15, 4.11, 60.96 ppm; 3.26 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HA ILE 32 OK 100 100 100 100 2.3-3.8 912=93, 1.8/920=62...(28) QB ALA 41 - HA ILE 32 far 8 78 10 - 3.3-11.7 QG2 THR 25 - HA ILE 32 far 8 76 10 - 3.3-14.8 QG2 THR 18 - HA ILE 32 far 0 97 0 - 6.8-24.4 Violated in 5 structures by 0.08 A. Peak 892 from aliabs.peaks (1.43, 4.11, 60.96 ppm; 3.34 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 32 + HA ILE 32 OK 100 100 100 100 2.4-3.7 920=84, 1.8/891=73...(26) HG2 LYS 26 + HA ILE 32 OK 23 100 50 46 2.0-17.4 3.0/889=8, 2.9/10763=5...(20) HG2 LYS 31 - HA ILE 32 far 6 63 10 - 4.3-7.2 QB ALA 34 - HA ILE 32 far 0 93 0 - 6.5-7.6 HG3 LYS 24 - HA ILE 32 far 0 85 0 - 6.6-19.5 HG3 LYS 19 - HA ILE 32 far 0 98 0 - 9.3-29.1 Violated in 7 structures by 0.09 A. Peak 893 from aliabs.peaks (0.77, 4.11, 60.96 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 32 + HA ILE 32 OK 100 100 100 100 3.1-4.0 928=87, 2.1/891=70...(25) QD1 ILE 37 - HA ILE 32 far 0 100 0 - 4.9-9.2 QG1 VAL 63 - HA ILE 32 far 0 93 0 - 7.4-14.6 QD2 LEU 49 - HA ILE 32 far 0 60 0 - 7.9-13.7 QG1 VAL 93 - HA ILE 32 far 0 87 0 - 8.8-16.8 QD1 LEU 96 - HA ILE 32 far 0 100 0 - 10.0-15.0 Violated in 19 structures by 0.34 A. Peak 896 from aliabs.peaks (4.11, 1.81, 38.56 ppm; 3.49 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 32 + HB ILE 32 OK 100 100 100 100 2.9-3.0 3.0=100 HA CYS 45 - HB ILE 32 far 0 99 0 - 5.4-14.4 HA GLN 104 - HB ILE 32 far 0 85 0 - 9.1-21.6 HA GLN 101 - HB ILE 32 far 0 100 0 - 9.4-19.9 HA LEU 49 - HB ILE 32 far 0 100 0 - 9.6-18.1 Violated in 0 structures by 0.00 A. Peak 897 from aliabs.peaks (1.81, 1.81, 38.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 32 + HB ILE 32 OK 100 100 - 100 Peak 898 from aliabs.peaks (0.84, 1.81, 38.56 ppm; 3.09 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 32 + HB ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 - HB ILE 32 far 0 87 0 - 5.4-11.9 QD2 LEU 69 - HB ILE 32 far 0 65 0 - 5.7-10.8 QD1 LEU 70 - HB ILE 32 far 0 65 0 - 6.4-12.9 QG2 ILE 129 - HB ILE 32 far 0 92 0 - 9.4-14.8 Violated in 0 structures by 0.00 A. Peak 899 from aliabs.peaks (1.15, 1.81, 38.56 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HB ILE 32 OK 100 100 100 100 2.3-3.0 2.9=100 QB ALA 41 - HB ILE 32 poor 16 78 20 - 4.4-10.8 QG2 THR 25 - HB ILE 32 far 8 76 10 - 3.9-14.7 QG2 THR 18 - HB ILE 32 far 0 97 0 - 7.6-24.6 Violated in 0 structures by 0.00 A. Peak 900 from aliabs.peaks (1.43, 1.81, 38.56 ppm; 3.53 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 32 + HB ILE 32 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 26 - HB ILE 32 far 15 100 15 - 3.7-17.7 QB ALA 34 - HB ILE 32 far 5 93 5 - 4.3-8.3 HG2 LYS 31 - HB ILE 32 far 0 63 0 - 6.4-8.5 HG3 LYS 24 - HB ILE 32 far 0 85 0 - 6.8-18.6 HG3 LYS 19 - HB ILE 32 far 0 98 0 - 9.9-27.6 Violated in 0 structures by 0.00 A. Peak 901 from aliabs.peaks (0.77, 1.81, 38.56 ppm; 3.54 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 32 + HB ILE 32 OK 100 100 100 100 2.0-2.9 3.2=100 QD1 ILE 37 - HB ILE 32 far 15 100 15 - 3.0-9.1 QG1 VAL 63 - HB ILE 32 far 0 93 0 - 6.3-13.0 QG1 VAL 93 - HB ILE 32 far 0 87 0 - 6.9-14.5 QD2 LEU 49 - HB ILE 32 far 0 60 0 - 6.9-11.8 QD1 LEU 96 - HB ILE 32 far 0 100 0 - 8.0-12.6 QD2 LEU 96 - HB ILE 32 far 0 85 0 - 8.5-14.7 QD2 LEU 122 - HB ILE 32 far 0 87 0 - 9.7-13.2 QD1 LEU 53 - HB ILE 32 far 0 71 0 - 9.8-17.9 Violated in 0 structures by 0.00 A. Peak 904 from aliabs.peaks (4.11, 0.84, 17.13 ppm; 2.87 A): 2 out of 10 assignments used, quality = 1.00: * HA ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.0-2.5 890=88, 6360/6362=47...(36) HA PHE 89 + QG2 ILE 129 OK 23 37 100 63 1.9-3.9 2897/9946=22, ~11707=9...(18) HA CYS 45 - QG2 ILE 32 far 5 99 5 - 3.5-11.8 HA ILE 80 - QG2 ILE 129 far 0 44 0 - 6.0-7.4 HA LEU 49 - QG2 ILE 32 far 0 100 0 - 7.5-14.8 HA GLN 104 - QG2 ILE 32 far 0 85 0 - 7.8-19.4 HA LEU 48 - QG2 ILE 32 far 0 99 0 - 7.9-15.6 HA GLN 101 - QG2 ILE 32 far 0 100 0 - 8.1-17.9 HA CYS 45 - QG2 ILE 129 far 0 53 0 - 8.5-11.0 HA CYS 79 - QG2 ILE 129 far 0 55 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 905 from aliabs.peaks (1.81, 0.84, 17.13 ppm; 2.55 A): 2 out of 20 assignments used, quality = 1.00: * HB ILE 32 + QG2 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 36 + QG2 ILE 32 OK 43 99 55 79 1.7-7.8 1.8/10810=19...(22) HB3 LYS 26 - QG2 ILE 32 far 10 100 10 - 3.5-13.3 HB3 LYS 24 - QG2 ILE 32 far 5 100 5 - 2.4-16.8 HB VAL 93 - QG2 ILE 129 far 0 44 0 - 4.1-5.8 HB3 ARG 23 - QG2 ILE 32 far 0 99 0 - 4.3-17.2 HB3 LYS 31 - QG2 ILE 32 far 0 100 0 - 5.4-7.0 HB2 CYS 79 - QG2 ILE 129 far 0 41 0 - 7.1-9.9 HB2 LYS 86 - QG2 ILE 129 far 0 44 0 - 7.6-8.7 HB3 ARG 135 - QG2 ILE 129 far 0 53 0 - 7.7-9.9 HB3 LEU 122 - QG2 ILE 129 far 0 38 0 - 8.1-10.4 HB3 LYS 19 - QG2 ILE 32 far 0 100 0 - 8.5-23.0 HB2 LEU 100 - QG2 ILE 32 far 0 97 0 - 8.7-15.5 HB2 LEU 100 - QG2 ILE 129 far 0 50 0 - 8.8-10.8 HB3 LEU 122 - QG2 ILE 32 far 0 81 0 - 9.2-16.3 HB2 LYS 36 - QG2 ILE 129 far 0 54 0 - 9.3-14.2 HB ILE 32 - QG2 ILE 129 far 0 56 0 - 9.4-14.8 HB VAL 93 - QG2 ILE 32 far 0 89 0 - 9.8-16.9 HB2 CYS 79 - QG2 ILE 32 far 0 85 0 - 9.9-17.7 HB2 ARG 84 - QG2 ILE 129 far 0 55 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 906 from aliabs.peaks (0.84, 0.84, 17.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 32 + QG2 ILE 32 OK 100 100 - 100 QG2 ILE 129 + QG2 ILE 129 OK 46 46 - 100 Peak 907 from aliabs.peaks (1.15, 0.84, 17.13 ppm; 2.86 A): 2 out of 13 assignments used, quality = 1.00: * HG12 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.9-3.2 3.2=72, 2.1/930=64...(30) QG2 VAL 132 + QG2 ILE 129 OK 44 47 100 93 2.1-3.4 10477/3.2=27...(38) QG2 THR 25 - QG2 ILE 32 poor 15 76 20 - 1.9-12.9 QG1 VAL 132 - QG2 ILE 129 poor 6 31 20 - 3.5-5.1 QB ALA 41 - QG2 ILE 32 lone 4 78 45 10 1.7-8.1 10856/10810=4...(3) HG2 LYS 39 - QG2 ILE 129 far 0 41 0 - 6.9-9.5 QB ALA 41 - QG2 ILE 129 far 0 37 0 - 7.3-9.1 QG2 THR 18 - QG2 ILE 32 far 0 97 0 - 7.3-20.4 HG3 LYS 39 - QG2 ILE 129 far 0 53 0 - 7.5-9.5 HG3 LYS 39 - QG2 ILE 32 far 0 99 0 - 8.6-14.6 QG2 THR 18 - QG2 ILE 129 far 0 50 0 - 9.1-27.4 HG2 LYS 39 - QG2 ILE 32 far 0 85 0 - 9.4-15.2 HB3 LEU 62 - QG2 ILE 32 far 0 97 0 - 9.8-16.1 Violated in 0 structures by 0.00 A. Peak 908 from aliabs.peaks (1.43, 0.84, 17.13 ppm; 2.88 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.9-3.2 3.2=74, 2.1/930=65...(29) QB ALA 92 + QG2 ILE 129 OK 54 55 100 98 3.1-4.2 9946=50, 10491/3.0=40...(28) HG2 LYS 26 - QG2 ILE 32 poor 9 100 30 31 2.7-14.9 892/904=7, 3.6/10766=4...(10) HG3 LYS 24 - QG2 ILE 32 far 4 85 5 - 4.0-16.0 QB ALA 34 - QG2 ILE 32 far 0 93 0 - 4.6-6.5 HG2 LYS 31 - QG2 ILE 32 far 0 63 0 - 5.2-8.1 QB ALA 34 - QG2 ILE 129 far 0 47 0 - 5.9-12.6 HG2 LYS 86 - QG2 ILE 129 far 0 46 0 - 6.5-8.4 HG3 LYS 19 - QG2 ILE 32 far 0 98 0 - 9.2-24.2 HG13 ILE 32 - QG2 ILE 129 far 0 56 0 - 9.6-16.0 Violated in 8 structures by 0.04 A. Peak 909 from aliabs.peaks (0.77, 0.84, 17.13 ppm; 2.93 A): 3 out of 21 assignments used, quality = 1.00: * QD1 ILE 32 + QG2 ILE 32 OK 100 100 100 100 1.7-3.1 930=100, 2.1/907=60...(36) HG12 ILE 129 + QG2 ILE 129 OK 36 37 100 98 1.9-3.2 3.2=77, 2.1/4163=56...(18) QG1 VAL 93 + QG2 ILE 129 OK 23 42 55 98 2.6-5.0 11322=44, 2.1/11405=37...(37) QD1 LEU 96 - QG2 ILE 129 poor 19 54 45 79 3.3-5.9 ~11354=9, 4164/3.0=8...(37) QD2 LEU 96 - QG2 ILE 129 poor 18 41 45 - 3.1-5.9 QD1 ILE 37 - QG2 ILE 32 far 15 100 15 - 2.0-6.2 QD2 LEU 43 - QG2 ILE 129 poor 7 34 20 - 4.0-6.0 QG1 VAL 63 - QG2 ILE 32 far 0 93 0 - 4.9-12.1 QD2 LEU 49 - QG2 ILE 32 far 0 60 0 - 5.2-9.8 QD1 ILE 37 - QG2 ILE 129 far 0 56 0 - 5.3-8.9 QD2 LEU 49 - QG2 ILE 129 far 0 27 0 - 5.6-7.6 QD2 LEU 122 - QG2 ILE 129 far 0 42 0 - 6.3-9.8 QG1 VAL 93 - QG2 ILE 32 far 0 87 0 - 6.7-12.7 QD1 ILE 32 - QG2 ILE 129 far 0 56 0 - 6.8-13.0 QD1 LEU 96 - QG2 ILE 32 far 0 100 0 - 6.8-11.2 QD2 LEU 122 - QG2 ILE 32 far 0 87 0 - 7.4-12.2 QD2 LEU 43 - QG2 ILE 32 far 0 73 0 - 7.7-12.4 QD2 LEU 96 - QG2 ILE 32 far 0 85 0 - 7.8-12.9 QD1 LEU 53 - QG2 ILE 129 far 0 32 0 - 7.9-10.0 QD1 LEU 53 - QG2 ILE 32 far 0 71 0 - 8.4-15.4 QD2 LEU 119 - QG2 ILE 32 far 0 81 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 912 from aliabs.peaks (4.11, 1.15, 27.21 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.3-3.8 891=100, 920/1.8=68...(28) HA CYS 45 - HG12 ILE 32 far 10 99 10 - 4.7-16.0 HA LEU 49 - HG12 ILE 32 far 0 100 0 - 8.0-18.8 HA GLN 104 - HG12 ILE 32 far 0 85 0 - 8.4-22.7 HA LEU 48 - HG12 ILE 32 far 0 99 0 - 8.5-20.2 Violated in 5 structures by 0.04 A. Peak 913 from aliabs.peaks (1.81, 1.15, 27.21 ppm; 3.44 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 36 + HG12 ILE 32 OK 32 99 35 91 3.1-12.4 10898/3.2=24, ~10810=23...(29) HB3 LYS 26 - HG12 ILE 32 poor 16 100 25 63 2.0-13.1 889/891=7, 3.5/10767=7...(29) HB3 LYS 31 - HG12 ILE 32 far 10 100 10 - 4.0-7.5 HB3 LYS 24 - HG12 ILE 32 far 0 100 0 - 5.5-17.3 HB3 ARG 23 - HG12 ILE 32 far 0 99 0 - 5.9-18.2 HB3 LYS 19 - HG12 ILE 32 far 0 100 0 - 8.1-25.3 HB VAL 93 - HG12 ILE 32 far 0 89 0 - 9.8-20.5 Violated in 0 structures by 0.00 A. Peak 914 from aliabs.peaks (0.84, 1.15, 27.21 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 32 + HG12 ILE 32 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 LEU 70 - HG12 ILE 32 far 0 65 0 - 5.6-13.4 QD2 LEU 69 - HG12 ILE 32 far 0 65 0 - 5.7-12.1 QD2 LEU 70 - HG12 ILE 32 far 0 87 0 - 6.4-12.9 QG2 VAL 57 - HG12 ILE 32 far 0 87 0 - 8.6-19.5 Violated in 0 structures by 0.00 A. Peak 915 from aliabs.peaks (1.15, 1.15, 27.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 32 + HG12 ILE 32 OK 100 100 - 100 Peak 916 from aliabs.peaks (1.43, 1.15, 27.21 ppm; 2.51 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 32 + HG12 ILE 32 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 26 - HG12 ILE 32 far 15 100 15 - 2.2-15.0 HG2 LYS 31 - HG12 ILE 32 far 0 63 0 - 4.1-9.2 QB ALA 34 - HG12 ILE 32 far 0 93 0 - 6.5-9.2 HG3 LYS 24 - HG12 ILE 32 far 0 85 0 - 6.7-16.6 HG3 LYS 19 - HG12 ILE 32 far 0 98 0 - 8.3-26.7 Violated in 0 structures by 0.00 A. Peak 917 from aliabs.peaks (0.77, 1.15, 27.21 ppm; 3.07 A): 1 out of 11 assignments used, quality = 1.00: * QD1 ILE 32 + HG12 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 37 - HG12 ILE 32 far 5 100 5 - 3.7-10.2 QG1 VAL 63 - HG12 ILE 32 far 0 93 0 - 5.6-13.5 QD2 LEU 49 - HG12 ILE 32 far 0 60 0 - 6.5-12.5 QG1 VAL 93 - HG12 ILE 32 far 0 87 0 - 6.6-15.6 QD2 LEU 96 - HG12 ILE 32 far 0 85 0 - 8.9-15.5 QD2 LEU 122 - HG12 ILE 32 far 0 87 0 - 9.3-14.1 QD1 LEU 96 - HG12 ILE 32 far 0 100 0 - 9.3-13.7 QD1 LEU 53 - HG12 ILE 32 far 0 71 0 - 9.4-19.7 QD2 LEU 43 - HG12 ILE 32 far 0 73 0 - 9.5-17.7 QD2 LEU 119 - HG12 ILE 32 far 0 81 0 - 9.8-18.6 Violated in 0 structures by 0.00 A. Peak 920 from aliabs.peaks (4.11, 1.43, 27.21 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.4-3.7 892=81, 891/1.8=81...(26) HA CYS 45 - HG13 ILE 32 poor 20 99 20 - 4.4-14.9 HA LEU 49 - HG13 ILE 32 far 0 100 0 - 7.6-18.7 HA LEU 48 - HG13 ILE 32 far 0 99 0 - 8.4-19.6 HA GLN 104 - HG13 ILE 32 far 0 85 0 - 8.6-21.7 HA GLN 101 - HG13 ILE 32 far 0 100 0 - 9.4-19.0 Violated in 4 structures by 0.02 A. Peak 921 from aliabs.peaks (1.81, 1.43, 27.21 ppm; 3.19 A): 1 out of 8 assignments used, quality = 1.00: * HB ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 36 - HG13 ILE 32 poor 20 99 20 - 4.1-11.8 HB3 LYS 26 - HG13 ILE 32 far 5 100 5 - 2.3-13.7 HB3 LYS 31 - HG13 ILE 32 far 5 100 5 - 3.7-7.2 HB3 ARG 23 - HG13 ILE 32 far 5 99 5 - 4.7-17.6 HB3 LYS 24 - HG13 ILE 32 far 0 100 0 - 5.3-17.6 HB3 LYS 19 - HG13 ILE 32 far 0 100 0 - 8.3-24.4 HB VAL 93 - HG13 ILE 32 far 0 89 0 - 9.7-21.3 Violated in 0 structures by 0.00 A. Peak 922 from aliabs.peaks (0.84, 1.43, 27.21 ppm; 3.40 A): 1 out of 7 assignments used, quality = 1.00: * QG2 ILE 32 + HG13 ILE 32 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 LEU 70 - HG13 ILE 32 far 3 65 5 - 4.6-14.4 QD2 LEU 69 - HG13 ILE 32 far 0 65 0 - 5.5-11.6 QD2 LEU 70 - HG13 ILE 32 far 0 87 0 - 5.7-13.2 QG2 VAL 57 - HG13 ILE 32 far 0 87 0 - 9.3-18.2 QD2 LEU 22 - HG13 ILE 32 far 0 100 0 - 9.5-19.0 QG2 ILE 129 - HG13 ILE 32 far 0 92 0 - 9.6-16.0 Violated in 0 structures by 0.00 A. Peak 923 from aliabs.peaks (1.15, 1.43, 27.21 ppm; 2.53 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HG13 ILE 32 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 25 - HG13 ILE 32 far 4 76 5 - 2.4-13.5 QB ALA 41 - HG13 ILE 32 far 0 78 0 - 4.6-12.1 QG2 THR 18 - HG13 ILE 32 far 0 97 0 - 7.4-22.4 Violated in 0 structures by 0.00 A. Peak 924 from aliabs.peaks (1.43, 1.43, 27.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 32 + HG13 ILE 32 OK 100 100 - 100 Peak 925 from aliabs.peaks (0.77, 1.43, 27.21 ppm; 2.97 A): 1 out of 10 assignments used, quality = 1.00: * QD1 ILE 32 + HG13 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 37 - HG13 ILE 32 far 0 100 0 - 4.9-9.6 QG1 VAL 63 - HG13 ILE 32 far 0 93 0 - 5.2-12.8 QD2 LEU 49 - HG13 ILE 32 far 0 60 0 - 5.5-12.5 QG1 VAL 93 - HG13 ILE 32 far 0 87 0 - 6.3-16.1 QD2 LEU 96 - HG13 ILE 32 far 0 85 0 - 8.1-14.5 QD1 LEU 96 - HG13 ILE 32 far 0 100 0 - 8.4-14.0 QD1 LEU 53 - HG13 ILE 32 far 0 71 0 - 8.9-19.5 QD2 LEU 122 - HG13 ILE 32 far 0 87 0 - 9.9-13.5 QD2 LEU 43 - HG13 ILE 32 far 0 73 0 - 9.9-16.9 Violated in 0 structures by 0.00 A. Peak 928 from aliabs.peaks (4.11, 0.77, 12.40 ppm; 3.32 A): 1 out of 17 assignments used, quality = 1.00: * HA ILE 32 + QD1 ILE 32 OK 100 100 100 100 3.1-4.0 893=91, 891/2.1=66...(25) HA CYS 45 - QD1 ILE 32 poor 15 99 40 37 2.4-12.0 3.0/10847=15...(10) HA CYS 45 - QD1 ILE 37 far 4 74 5 - 3.6-10.4 HA ILE 32 - QD1 ILE 37 far 0 76 0 - 4.9-9.2 HA GLN 104 - QD1 ILE 32 far 0 85 0 - 5.4-17.2 HA LEU 49 - QD1 ILE 32 far 0 100 0 - 5.6-14.3 HA LEU 48 - QD1 ILE 32 far 0 99 0 - 6.4-15.4 HA ILE 80 - QD1 ILE 37 far 0 61 0 - 6.4-15.3 HA CYS 79 - QD1 ILE 37 far 0 76 0 - 6.4-17.1 HA GLN 101 - QD1 ILE 32 far 0 100 0 - 6.7-15.6 HA LEU 49 - QD1 ILE 37 far 0 76 0 - 7.0-15.6 HA LEU 48 - QD1 ILE 37 far 0 74 0 - 8.2-14.9 HA ALA 52 - QD1 ILE 32 far 0 73 0 - 9.0-18.5 HA PHE 89 - QD1 ILE 37 far 0 52 0 - 9.5-14.3 HA ILE 80 - QD1 ILE 32 far 0 89 0 - 9.7-19.5 HA GLN 101 - QD1 ILE 37 far 0 76 0 - 9.8-15.4 HA CYS 79 - QD1 ILE 32 far 0 100 0 - 9.9-21.0 Violated in 19 structures by 0.45 A. Peak 929 from aliabs.peaks (1.81, 0.77, 12.40 ppm; 3.05 A): 3 out of 22 assignments used, quality = 1.00: * HB ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.0-2.9 3.2=84, 2.1/930=71...(31) HB2 LYS 36 + QD1 ILE 32 OK 28 99 35 82 2.0-10.0 10898/3.0=19, ~10810=18...(24) HB2 LYS 36 + QD1 ILE 37 OK 26 74 40 87 3.8-7.6 6404/6417=32...(19) HB2 CYS 79 - QD1 ILE 37 far 6 58 10 - 4.1-14.7 HB3 LYS 26 - QD1 ILE 32 far 5 100 5 - 2.5-11.3 HB3 LYS 24 - QD1 ILE 32 far 5 100 5 - 3.3-13.9 HB ILE 32 - QD1 ILE 37 far 4 76 5 - 3.0-9.1 HB3 ARG 23 - QD1 ILE 32 far 0 99 0 - 4.9-14.9 HB3 LYS 31 - QD1 ILE 32 far 0 100 0 - 5.0-6.9 HB VAL 93 - QD1 ILE 32 far 0 89 0 - 6.5-16.5 HB3 LYS 19 - QD1 ILE 32 far 0 100 0 - 6.5-21.0 HB3 LYS 26 - QD1 ILE 37 far 0 75 0 - 6.7-18.3 HB3 LYS 24 - QD1 ILE 37 far 0 76 0 - 7.1-19.6 HB3 ARG 23 - QD1 ILE 37 far 0 74 0 - 7.5-21.9 HB2 LEU 100 - QD1 ILE 32 far 0 97 0 - 7.9-13.1 HB3 LEU 103 - QD1 ILE 32 far 0 87 0 - 8.4-15.4 HB3 LEU 122 - QD1 ILE 32 far 0 81 0 - 8.6-13.6 HB3 LEU 122 - QD1 ILE 37 far 0 54 0 - 8.7-15.3 HB3 LYS 31 - QD1 ILE 37 far 0 76 0 - 8.9-13.2 HB2 CYS 79 - QD1 ILE 32 far 0 85 0 - 9.0-19.4 HB VAL 93 - QD1 ILE 37 far 0 61 0 - 9.1-13.7 HB2 LEU 100 - QD1 ILE 37 far 0 70 0 - 9.4-14.2 Violated in 0 structures by 0.00 A. Peak 930 from aliabs.peaks (0.84, 0.77, 12.40 ppm; 2.93 A): 1 out of 21 assignments used, quality = 1.00: * QG2 ILE 32 + QD1 ILE 32 OK 100 100 100 100 1.7-3.1 909=100, 907/2.1=60...(34) QG2 ILE 32 - QD1 ILE 37 far 11 76 15 - 2.0-6.2 QD2 LEU 69 - QD1 ILE 37 far 6 43 15 - 3.4-9.0 QD2 LEU 70 - QD1 ILE 32 far 4 87 5 - 4.0-9.4 QD2 LEU 69 - QD1 ILE 32 far 3 65 5 - 3.3-8.9 QD1 LEU 70 - QD1 ILE 32 far 3 65 5 - 3.8-10.5 QD1 LEU 70 - QD1 ILE 37 far 0 43 0 - 4.6-10.4 QG1 VAL 133 - QD1 ILE 37 far 0 76 0 - 4.9-9.0 QG2 ILE 129 - QD1 ILE 37 far 0 65 0 - 5.3-8.9 QD2 LEU 70 - QD1 ILE 37 far 0 60 0 - 5.6-9.8 QG2 ILE 80 - QD1 ILE 37 far 0 49 0 - 6.0-14.9 QG2 ILE 129 - QD1 ILE 32 far 0 92 0 - 6.8-13.0 QG2 VAL 57 - QD1 ILE 32 far 0 87 0 - 7.4-15.3 HG13 ILE 80 - QD1 ILE 37 far 0 43 0 - 7.4-15.5 QD2 LEU 22 - QD1 ILE 32 far 0 100 0 - 7.8-15.7 QG1 VAL 133 - QD1 ILE 32 far 0 100 0 - 8.1-14.4 QG2 VAL 57 - QD1 ILE 37 far 0 60 0 - 8.8-17.2 QD2 LEU 22 - QD1 ILE 37 far 0 76 0 - 9.4-20.8 QG2 ILE 80 - QD1 ILE 32 far 0 73 0 - 9.4-18.2 QD1 LEU 98 - QD1 ILE 32 far 0 83 0 - 9.5-16.6 HG13 ILE 80 - QD1 ILE 32 far 0 65 0 - 9.8-19.9 Violated in 5 structures by 0.02 A. Peak 931 from aliabs.peaks (1.15, 0.77, 12.40 ppm; 2.71 A): 2 out of 17 assignments used, quality = 1.00: * HG12 ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 41 + QD1 ILE 37 OK 23 52 50 87 1.9-5.6 10910/1094=36...(12) QB ALA 41 - QD1 ILE 32 poor 20 78 25 - 2.1-10.4 QG2 THR 25 - QD1 ILE 32 far 8 76 10 - 2.3-10.6 HG12 ILE 32 - QD1 ILE 37 far 4 76 5 - 3.7-10.2 QG2 THR 18 - QD1 ILE 37 far 0 70 0 - 6.1-24.9 HG3 LYS 39 - QD1 ILE 37 far 0 74 0 - 6.2-10.2 HG2 LYS 39 - QD1 ILE 37 far 0 58 0 - 6.6-10.7 QG2 THR 18 - QD1 ILE 32 far 0 97 0 - 6.9-18.9 HB3 LEU 62 - QD1 ILE 32 far 0 97 0 - 7.0-15.7 QG2 THR 25 - QD1 ILE 37 far 0 51 0 - 7.3-16.1 HG3 LYS 39 - QD1 ILE 32 far 0 99 0 - 7.6-17.3 QG2 VAL 132 - QD1 ILE 37 far 0 66 0 - 8.0-12.3 HG2 LYS 39 - QD1 ILE 32 far 0 85 0 - 8.9-18.0 HB3 LEU 62 - QD1 ILE 37 far 0 70 0 - 9.4-18.0 QG1 VAL 132 - QD1 ILE 37 far 0 45 0 - 9.6-13.2 QG2 VAL 132 - QD1 ILE 32 far 0 93 0 - 9.9-16.0 Violated in 0 structures by 0.00 A. Peak 932 from aliabs.peaks (1.43, 0.77, 12.40 ppm; 2.75 A): 2 out of 16 assignments used, quality = 1.00: * HG13 ILE 32 + QD1 ILE 32 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 34 + QD1 ILE 37 OK 44 66 70 96 1.8-5.5 2.1/10873=39...(25) HG2 LYS 26 - QD1 ILE 32 poor 20 100 20 - 3.7-12.8 QB ALA 34 - QD1 ILE 32 far 5 93 5 - 4.1-8.6 HG2 LYS 31 - QD1 ILE 32 far 0 63 0 - 4.4-8.2 HG13 ILE 32 - QD1 ILE 37 far 0 76 0 - 4.9-9.6 HG3 LYS 24 - QD1 ILE 32 far 0 85 0 - 5.1-13.9 HG2 LYS 26 - QD1 ILE 37 far 0 76 0 - 7.2-19.4 HG3 LYS 24 - QD1 ILE 37 far 0 58 0 - 8.1-21.4 HG3 LYS 19 - QD1 ILE 32 far 0 98 0 - 8.1-22.3 QB ALA 92 - QD1 ILE 32 far 0 100 0 - 8.9-14.9 HG3 LYS 19 - QD1 ILE 37 far 0 72 0 - 9.0-29.3 QB ALA 92 - QD1 ILE 37 far 0 76 0 - 9.0-12.1 HG2 LYS 31 - QD1 ILE 37 far 0 41 0 - 9.1-13.8 HG2 LYS 86 - QD1 ILE 37 far 0 65 0 - 9.9-18.1 HG2 LYS 86 - QD1 ILE 32 far 0 92 0 - 9.9-21.6 Violated in 0 structures by 0.00 A. Peak 933 from aliabs.peaks (0.77, 0.77, 12.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 32 + QD1 ILE 32 OK 100 100 - 100 QD1 ILE 37 + QD1 ILE 37 OK 76 76 - 100 Peak 936 from aliabs.peaks (4.39, 4.39, 58.04 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 33 + HA SER 33 OK 100 100 - 100 HA SER 107 + HA SER 107 OK 61 61 - 100 HA SER 9 + HA SER 9 OK 60 60 - 100 Peak 937 from aliabs.peaks (3.91, 4.39, 58.04 ppm; 2.97 A): 2 out of 16 assignments used, quality = 1.00: * HB2 SER 33 + HA SER 33 OK 100 100 100 100 2.4-3.0 3.0=94, 1.8/946=68...(14) HB2 SER 107 + HA SER 107 OK 55 56 100 98 2.4-3.0 3.0=95, 7556/7555=27...(6) HA3 GLY 75 - HA SER 33 far 5 93 5 - 4.3-18.4 HA3 GLY 75 - HA SER 9 far 3 57 5 - 3.3-45.9 HB2 SER 60 - HA SER 107 far 0 62 0 - 4.8-15.8 HB3 SER 60 - HA SER 107 far 0 62 0 - 5.7-16.0 HA2 GLY 111 - HA SER 107 far 0 38 0 - 6.1-13.1 HD3 PRO 113 - HA SER 107 far 0 30 0 - 6.6-17.1 HA2 GLY 14 - HA SER 33 far 0 97 0 - 7.2-31.9 HA LEU 70 - HA SER 107 far 0 35 0 - 7.6-15.3 HA LEU 70 - HA SER 33 far 0 68 0 - 7.6-14.3 HA3 GLY 14 - HA SER 33 far 0 96 0 - 7.9-32.7 HA ALA 41 - HA SER 33 far 0 99 0 - 8.0-13.8 HA ALA 41 - HA SER 9 far 0 64 0 - 8.2-45.9 HB3 SER 50 - HA SER 9 far 0 35 0 - 9.9-50.8 HA2 GLY 114 - HA SER 107 far 0 37 0 - 9.9-18.4 Violated in 0 structures by 0.00 A. Peak 938 from aliabs.peaks (3.84, 4.39, 58.04 ppm; 3.08 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 33 + HA SER 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 9 + HA SER 9 OK 42 42 100 100 2.3-3.0 3.0=100 HA LEU 62 - HA SER 107 far 0 62 0 - 7.7-13.5 HD2 PRO 117 - HA SER 107 far 0 44 0 - 8.3-17.6 Violated in 0 structures by 0.00 A. Peak 941 from aliabs.peaks (4.39, 3.91, 63.38 ppm; 3.13 A): 2 out of 12 assignments used, quality = 1.00: * HA SER 33 + HB2 SER 33 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 107 + HB2 SER 107 OK 72 72 100 100 2.4-3.0 3.0=100 HA PRO 113 - HB2 SER 107 far 2 40 5 - 4.2-19.0 HA VAL 112 - HB2 SER 107 far 0 40 0 - 5.1-17.7 HA ASP 71 - HB2 SER 33 far 0 73 0 - 6.1-15.6 HA ASP 71 - HB2 SER 107 far 0 45 0 - 6.2-18.4 HA MET 11 - HB2 SER 107 far 0 47 0 - 6.4-54.0 HA CYS 73 - HB2 SER 33 far 0 92 0 - 7.9-17.4 HA PRO 117 - HB2 SER 107 far 0 38 0 - 8.4-20.5 HA CYS 73 - HB2 SER 94 far 0 62 0 - 9.4-11.6 HA ASP 78 - HB2 SER 33 far 0 99 0 - 9.5-24.8 HA THR 115 - HB2 SER 107 far 0 69 0 - 9.7-20.8 Violated in 0 structures by 0.00 A. Peak 942 from aliabs.peaks (3.91, 3.91, 63.38 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 SER 33 + HB2 SER 33 OK 100 100 - 100 HB2 SER 94 + HB2 SER 94 OK 70 70 - 100 HB2 SER 107 + HB2 SER 107 OK 66 66 - 100 Peak 943 from aliabs.peaks (3.84, 3.91, 63.38 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 33 + HB2 SER 33 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HB2 SER 107 far 0 53 0 - 6.5-19.4 Violated in 0 structures by 0.00 A. Peak 946 from aliabs.peaks (4.39, 3.84, 63.38 ppm; 3.01 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 33 + HB3 SER 33 OK 100 100 100 100 2.4-3.0 3.0=98, 937/1.8=44...(14) HA ASP 71 - HB3 SER 33 far 0 73 0 - 5.3-16.1 HA CYS 73 - HB3 SER 33 far 0 92 0 - 8.5-18.4 HA MET 11 - HB3 SER 33 far 0 76 0 - 9.6-31.9 Violated in 7 structures by 0.01 A. Peak 947 from aliabs.peaks (3.91, 3.84, 63.38 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 33 + HB3 SER 33 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 14 - HB3 SER 33 far 0 97 0 - 5.2-31.4 HA3 GLY 75 - HB3 SER 33 far 0 93 0 - 5.4-20.3 HA3 GLY 14 - HB3 SER 33 far 0 96 0 - 5.7-31.9 HA ALA 41 - HB3 SER 33 far 0 99 0 - 7.6-15.4 HA LEU 70 - HB3 SER 33 far 0 68 0 - 9.8-16.6 Violated in 0 structures by 0.00 A. Peak 948 from aliabs.peaks (3.84, 3.84, 63.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 33 + HB3 SER 33 OK 100 100 - 100 Peak 951 from aliabs.peaks (4.21, 4.21, 53.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 34 + HA ALA 34 OK 100 100 - 100 Peak 952 from aliabs.peaks (1.41, 4.21, 53.17 ppm; 2.59 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 34 + HA ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 16 - HA ALA 34 far 0 76 0 - 5.8-25.7 HG2 LYS 26 - HA ALA 34 far 0 90 0 - 6.8-22.1 HG13 ILE 32 - HA ALA 34 far 0 93 0 - 7.1-10.2 HG3 LYS 31 - HA ALA 34 far 0 60 0 - 8.3-13.4 Violated in 0 structures by 0.00 A. Peak 955 from aliabs.peaks (4.21, 1.41, 18.59 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 34 + QB ALA 34 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 SER 38 - QB ALA 34 far 0 100 0 - 4.2-8.1 HA GLU 30 - QB ALA 34 far 0 100 0 - 6.3-12.5 HA HIS 67 - QB ALA 34 far 0 99 0 - 6.9-15.7 HA ALA 29 - QB ALA 34 far 0 95 0 - 8.5-10.8 HB THR 25 - QB ALA 34 far 0 71 0 - 8.6-18.5 Violated in 0 structures by 0.00 A. Peak 956 from aliabs.peaks (1.41, 1.41, 18.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 34 + QB ALA 34 OK 100 100 - 100 Peak 959 from aliabs.peaks (4.51, 4.51, 54.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 35 + HA ASP 35 OK 100 100 - 100 Peak 960 from aliabs.peaks (2.65, 4.51, 54.59 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 35 + HA ASP 35 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 961 from aliabs.peaks (2.73, 4.51, 54.59 ppm; 2.97 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASP 35 + HA ASP 35 OK 99 100 100 99 2.6-3.0 3.0=95, 6390/6388=33...(7) HB3 ASP 78 - HA ASP 35 far 0 100 0 - 7.7-19.7 Violated in 0 structures by 0.00 A. Peak 964 from aliabs.peaks (4.51, 2.65, 40.26 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 35 + HB2 ASP 35 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 965 from aliabs.peaks (2.65, 2.65, 40.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 35 + HB2 ASP 35 OK 100 100 - 100 Peak 966 from aliabs.peaks (2.73, 2.65, 40.26 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 35 + HB2 ASP 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 78 - HB2 ASP 35 far 0 100 0 - 7.2-22.5 HB2 ASP 47 - HB2 ASP 35 far 0 97 0 - 9.0-19.9 Violated in 0 structures by 0.00 A. Peak 969 from aliabs.peaks (4.51, 2.73, 40.26 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 35 + HB3 ASP 35 OK 100 100 100 100 2.6-3.0 3.0=100 HA ASP 35 - HB3 ASP 78 far 0 57 0 - 7.7-19.7 Violated in 0 structures by 0.00 A. Peak 970 from aliabs.peaks (2.65, 2.73, 40.26 ppm; 2.75 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 35 + HB3 ASP 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 35 - HB3 ASP 78 far 0 57 0 - 7.2-22.5 Violated in 0 structures by 0.00 A. Peak 971 from aliabs.peaks (2.73, 2.73, 40.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 35 + HB3 ASP 35 OK 100 100 - 100 HB3 ASP 78 + HB3 ASP 78 OK 56 56 - 100 Peak 974 from aliabs.peaks (4.28, 4.28, 56.59 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LYS 36 + HA LYS 36 OK 100 100 - 100 HA LYS 31 + HA LYS 31 OK 48 48 - 100 HA LYS 19 + HA LYS 19 OK 47 47 - 100 HA LYS 26 + HA LYS 26 OK 41 41 - 100 Peak 975 from aliabs.peaks (1.82, 4.28, 56.59 ppm; 3.57 A): 5 out of 30 assignments used, quality = 1.00: * HB2 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HA LYS 31 OK 55 55 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HA LYS 26 OK 51 51 100 100 2.2-3.0 3.0=100 HB3 LYS 19 + HA LYS 19 OK 50 50 100 100 2.3-2.7 3.0=100 HB ILE 32 + HA LYS 36 OK 22 99 25 90 3.6-10.5 ~10810=24, ~10899=24...(32) HB3 LYS 31 - HA LYS 26 poor 20 50 40 - 2.7-15.0 HB3 LYS 24 - HA LYS 19 poor 19 53 35 - 2.0-13.2 HB3 LYS 26 - HA LYS 31 poor 14 56 25 - 4.4-15.8 HB3 ARG 23 - HA LYS 26 far 8 51 15 - 4.4-10.8 HB3 ARG 23 - HA LYS 36 far 5 100 5 - 4.0-26.9 HB3 LYS 24 - HA LYS 36 far 5 100 5 - 4.3-28.6 HB3 LYS 31 - HA LYS 19 far 3 53 5 - 3.9-25.7 HB3 LYS 19 - HA LYS 31 far 3 52 5 - 4.5-26.9 HB ILE 32 - HA LYS 26 far 2 49 5 - 4.8-15.1 HB3 LYS 19 - HA LYS 26 far 2 47 5 - 5.0-20.0 HB ILE 32 - HA LYS 31 far 0 55 0 - 5.1-6.1 HB2 LYS 36 - HA LYS 31 far 0 56 0 - 5.5-14.2 HB3 LYS 26 - HA LYS 19 far 0 54 0 - 5.6-21.5 HB3 ARG 23 - HA LYS 19 far 0 54 0 - 5.9-12.8 HB3 LYS 24 - HA LYS 26 far 0 51 0 - 6.1-8.8 HB3 LYS 31 - HA LYS 36 far 0 100 0 - 6.7-16.3 HB3 LYS 26 - HA LYS 36 far 0 100 0 - 6.9-25.7 HB3 ARG 23 - HA LYS 31 far 0 56 0 - 7.1-20.6 HB2 LYS 36 - HA LYS 26 far 0 51 0 - 7.2-24.7 HB3 LYS 24 - HA LYS 31 far 0 56 0 - 7.6-18.1 HB2 LYS 36 - HA LYS 19 far 0 54 0 - 7.9-35.2 HB2 CYS 79 - HA LYS 36 far 0 95 0 - 8.5-17.2 HB2 CYS 79 - HA LYS 19 far 0 47 0 - 8.5-37.3 HB3 LYS 19 - HA LYS 36 far 0 97 0 - 8.6-35.4 HB3 LEU 103 - HA LYS 26 far 0 31 0 - 8.8-25.1 Violated in 0 structures by 0.00 A. Peak 976 from aliabs.peaks (1.88, 4.28, 56.59 ppm; 3.53 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 36 + HA LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 LEU 48 - HA LYS 26 far 0 47 0 - 5.5-25.9 HB3 LYS 36 - HA LYS 19 far 0 54 0 - 6.2-34.1 HB3 LYS 36 - HA LYS 31 far 0 56 0 - 6.3-14.1 HB3 LEU 48 - HA LYS 19 far 0 50 0 - 6.4-34.9 HB2 GLU 40 - HA LYS 36 far 0 92 0 - 6.4-13.8 HB3 LYS 36 - HA LYS 26 far 0 51 0 - 6.8-24.0 HB2 GLU 40 - HA LYS 26 far 0 42 0 - 9.6-29.4 HB3 LEU 48 - HA LYS 36 far 0 97 0 - 9.7-18.7 Violated in 0 structures by 0.00 A. Peak 977 from aliabs.peaks (1.38, 4.28, 56.59 ppm; 3.71 A): 4 out of 49 assignments used, quality = 1.00: * HG2 LYS 36 + HA LYS 36 OK 100 100 100 100 2.3-3.8 4.1=72, 6394/3.0=58...(33) HG3 LYS 31 + HA LYS 31 OK 55 55 100 99 2.0-4.2 3.8=92, 6334/3.0=26...(22) HG3 LYS 26 + HA LYS 26 OK 51 51 100 99 2.6-3.9 4.0=77, 6253/2.9=52...(31) HG2 LYS 19 + HA LYS 19 OK 49 50 100 99 2.3-3.7 4.2=71, 6151/3.0=46...(42) HG2 LYS 24 - HA LYS 19 poor 19 53 35 - 2.2-15.3 QB ALA 28 - HA LYS 26 poor 14 50 45 62 3.8-7.4 6265/3.6=24, ~10769=21...(9) HG3 LYS 31 - HA LYS 26 poor 12 50 25 - 2.3-14.5 HG3 LYS 26 - HA LYS 31 poor 11 56 20 - 4.5-16.0 HG3 LYS 26 - HA LYS 36 far 10 100 10 - 4.9-27.4 QB ALA 15 - HA LYS 31 far 8 56 15 - 1.9-22.8 QB ALA 12 - HA LYS 19 far 6 37 15 - 3.4-15.1 QB ALA 15 - HA LYS 19 far 3 54 5 - 3.6-11.2 HG2 LYS 19 - HA LYS 31 far 3 52 5 - 4.9-26.6 QB ALA 110 - HA LYS 26 far 3 51 5 - 3.4-31.5 QB ALA 16 - HA LYS 31 far 3 51 5 - 4.5-22.4 QB ALA 29 - HA LYS 26 far 3 51 5 - 5.0-9.8 HG2 LYS 24 - HA LYS 26 far 3 50 5 - 4.2-10.1 QB ALA 109 - HA LYS 26 far 2 49 5 - 4.0-28.9 QB ALA 12 - HA LYS 31 far 2 39 5 - 4.3-22.8 QB ALA 108 - HA LYS 26 far 0 51 0 - 5.2-27.3 QB ALA 28 - HA LYS 19 far 0 53 0 - 5.3-19.3 QB ALA 28 - HA LYS 31 far 0 55 0 - 5.5-7.8 HG3 LYS 31 - HA LYS 19 far 0 53 0 - 5.5-23.5 HB2 LEU 42 - HA LYS 36 far 0 99 0 - 5.6-11.0 QB ALA 29 - HA LYS 36 far 0 100 0 - 5.6-13.8 QB ALA 15 - HA LYS 26 far 0 51 0 - 5.6-18.8 QB ALA 16 - HA LYS 19 far 0 49 0 - 5.7-9.7 HG3 LYS 31 - HA LYS 36 far 0 100 0 - 5.9-16.7 QB ALA 29 - HA LYS 31 far 0 56 0 - 6.1-7.3 HG2 LYS 19 - HA LYS 26 far 0 47 0 - 6.3-22.3 QB ALA 16 - HA LYS 36 far 0 97 0 - 6.4-29.0 HG2 LYS 36 - HA LYS 19 far 0 54 0 - 6.5-33.1 HG2 LYS 24 - HA LYS 31 far 0 55 0 - 6.7-19.6 QB ALA 110 - HA LYS 19 far 0 54 0 - 6.8-43.3 QB ALA 16 - HA LYS 26 far 0 46 0 - 6.9-18.9 HG2 LYS 24 - HA LYS 36 far 0 100 0 - 7.0-29.4 QB ALA 12 - HA LYS 26 far 0 35 0 - 7.0-18.9 HG2 LYS 36 - HA LYS 31 far 0 56 0 - 7.1-11.7 HG2 LYS 36 - HA LYS 26 far 0 51 0 - 7.4-22.3 HG2 LYS 19 - HA LYS 36 far 0 97 0 - 7.5-37.3 QB ALA 108 - HA LYS 31 far 0 56 0 - 7.7-25.8 QB ALA 109 - HA LYS 19 far 0 52 0 - 7.8-40.6 QB ALA 29 - HA LYS 19 far 0 54 0 - 8.0-19.1 HG3 LYS 26 - HA LYS 19 far 0 54 0 - 8.0-21.2 QB ALA 28 - HA LYS 36 far 0 100 0 - 8.4-17.1 QB ALA 108 - HA LYS 19 far 0 54 0 - 8.5-39.5 QB ALA 15 - HA LYS 36 far 0 100 0 - 8.6-28.8 QB ALA 12 - HA LYS 36 far 0 81 0 - 9.0-27.7 QB ALA 109 - HA LYS 31 far 0 54 0 - 9.1-27.0 Violated in 0 structures by 0.00 A. Peak 978 from aliabs.peaks (1.46, 4.28, 56.59 ppm; 4.13 A): 4 out of 23 assignments used, quality = 1.00: * HG3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.0-4.2 4.1=100 HG2 LYS 31 + HA LYS 31 OK 56 56 100 100 2.1-4.2 3.8=100 HG3 LYS 19 + HA LYS 19 OK 37 37 100 100 2.6-4.0 4.2=98, 6152/3.0=40...(39) HG2 LYS 26 + HA LYS 26 OK 26 26 100 100 2.3-4.1 4.0=100 HG3 LYS 24 - HA LYS 19 poor 19 49 40 - 1.9-15.2 HG2 LYS 31 - HA LYS 26 poor 18 51 35 - 3.2-15.5 HG2 LYS 31 - HA LYS 36 far 5 100 5 - 5.4-17.1 HG2 LYS 26 - HA LYS 31 far 4 28 15 - 4.3-17.0 HG2 LYS 26 - HA LYS 36 far 3 63 5 - 4.1-27.7 HG LEU 42 - HA LYS 36 far 3 63 5 - 5.3-13.0 HG3 LYS 36 - HA LYS 31 far 3 56 5 - 5.5-12.3 HG3 LYS 24 - HA LYS 26 far 2 46 5 - 5.5-9.6 HG3 LYS 19 - HA LYS 31 far 2 39 5 - 4.9-27.9 HG3 LYS 19 - HA LYS 26 far 2 35 5 - 5.3-21.7 HG2 LYS 31 - HA LYS 19 far 0 54 0 - 5.8-24.5 HG3 LYS 36 - HA LYS 26 far 0 51 0 - 5.8-22.9 HG3 LYS 24 - HA LYS 31 far 0 51 0 - 6.1-18.0 HG3 LYS 36 - HA LYS 19 far 0 54 0 - 6.6-33.2 HG3 LYS 24 - HA LYS 36 far 0 97 0 - 6.7-27.7 QB ALA 52 - HA LYS 26 far 0 35 0 - 7.0-22.6 HG2 LYS 26 - HA LYS 19 far 0 27 0 - 7.6-22.5 QB ALA 52 - HA LYS 19 far 0 37 0 - 7.8-28.1 HG3 LYS 19 - HA LYS 36 far 0 81 0 - 8.1-37.0 Violated in 0 structures by 0.00 A. Peak 979 from aliabs.peaks (1.66, 4.28, 56.59 ppm; 4.35 A): 8 out of 44 assignments used, quality = 1.00: * HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 3.5-5.3 5.3=56, 1031/3.0=39...(34) HD3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.0-5.3 5.3=56, 1042/3.0=39...(34) HD3 LYS 31 + HA LYS 31 OK 55 55 100 99 2.0-4.9 5.2=58, ~6332=28...(37) HD2 LYS 31 + HA LYS 31 OK 53 54 100 99 2.0-5.4 5.2=58, ~6332=28...(37) HD3 LYS 26 + HA LYS 26 OK 50 51 100 99 2.1-5.1 5.0=67, ~6252=36...(33) HD2 LYS 26 + HA LYS 26 OK 50 51 100 99 2.1-5.4 5.0=67, ~6252=36...(33) HD2 LYS 19 + HA LYS 19 OK 47 48 100 98 2.0-4.5 5.2=60, ~6151=29...(43) HD3 LYS 19 + HA LYS 19 OK 45 46 100 98 2.0-4.8 5.2=60, ~6151=29...(43) HD3 LYS 24 - HA LYS 19 poor 17 50 40 84 2.2-14.1 3.0/822=5, 3.0/271=4...(74) HD3 LYS 26 - HA LYS 31 poor 17 56 30 - 4.2-17.5 HD2 LYS 24 - HA LYS 19 poor 16 54 30 - 3.3-14.3 HD2 LYS 26 - HA LYS 31 poor 14 56 25 - 4.7-17.2 HD2 LYS 31 - HA LYS 26 poor 12 49 25 - 2.5-14.0 HD3 LYS 31 - HA LYS 26 poor 10 50 20 - 4.2-13.7 HD2 LYS 26 - HA LYS 36 far 10 100 10 - 4.9-28.2 HD2 LYS 36 - HA LYS 31 far 8 56 15 - 4.5-11.5 HD3 LYS 26 - HA LYS 36 far 5 100 5 - 5.8-27.5 HD3 LYS 36 - HA LYS 31 far 3 56 5 - 5.5-11.8 HD2 LYS 19 - HA LYS 31 far 2 50 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 2 48 5 - 3.5-28.9 HD3 LYS 24 - HA LYS 26 far 2 48 5 - 4.6-10.7 HD2 LYS 24 - HA LYS 36 far 0 100 0 - 6.0-27.3 HD2 LYS 24 - HA LYS 26 far 0 51 0 - 6.0-10.6 HD3 LYS 26 - HA LYS 19 far 0 54 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 85 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 45 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 99 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 43 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 51 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 96 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 51 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 53 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 98 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 100 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 53 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 56 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 52 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 41 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 53 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 89 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 54 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 54 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 50 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 96 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 980 from aliabs.peaks (1.66, 4.28, 56.59 ppm; 4.35 A): 8 out of 44 assignments used, quality = 1.00: HD2 LYS 36 + HA LYS 36 OK 100 100 100 100 3.5-5.3 5.3=56, 1031/3.0=39...(34) * HD3 LYS 36 + HA LYS 36 OK 100 100 100 100 3.0-5.3 5.3=56, 1042/3.0=39...(34) HD3 LYS 31 + HA LYS 31 OK 55 56 100 99 2.0-4.9 5.2=58, ~6332=28...(37) HD2 LYS 31 + HA LYS 31 OK 54 55 100 99 2.0-5.4 5.2=58, ~6332=28...(37) HD3 LYS 26 + HA LYS 26 OK 50 51 100 99 2.1-5.1 5.0=67, ~6252=36...(33) HD2 LYS 26 + HA LYS 26 OK 50 51 100 99 2.1-5.4 5.0=67, ~6252=36...(33) HD2 LYS 19 + HA LYS 19 OK 48 49 100 98 2.0-4.5 5.2=60, ~6151=29...(43) HD3 LYS 19 + HA LYS 19 OK 46 47 100 98 2.0-4.8 5.2=60, ~6151=29...(43) HD2 LYS 24 - HA LYS 19 poor 19 54 35 - 3.3-14.3 HD3 LYS 24 - HA LYS 19 poor 17 51 40 84 2.2-14.1 3.0/822=5, 3.0/271=4...(74) HD3 LYS 26 - HA LYS 31 poor 17 56 30 - 4.2-17.5 HD2 LYS 26 - HA LYS 31 poor 14 56 25 - 4.7-17.2 HD2 LYS 31 - HA LYS 26 poor 12 49 25 - 2.5-14.0 HD3 LYS 31 - HA LYS 26 poor 10 51 20 - 4.2-13.7 HD2 LYS 26 - HA LYS 36 far 10 100 10 - 4.9-28.2 HD2 LYS 36 - HA LYS 31 far 8 56 15 - 4.5-11.5 HD3 LYS 26 - HA LYS 36 far 5 100 5 - 5.8-27.5 HD3 LYS 36 - HA LYS 31 far 3 56 5 - 5.5-11.8 HD2 LYS 19 - HA LYS 31 far 3 51 5 - 2.7-27.6 HD3 LYS 19 - HA LYS 31 far 2 49 5 - 3.5-28.9 HD3 LYS 24 - HA LYS 26 far 2 48 5 - 4.6-10.7 HD2 LYS 24 - HA LYS 36 far 0 100 0 - 6.0-27.3 HD2 LYS 24 - HA LYS 26 far 0 51 0 - 6.0-10.6 HD3 LYS 26 - HA LYS 19 far 0 54 0 - 6.6-20.4 HG LEU 43 - HA LYS 36 far 0 87 0 - 6.7-13.8 HD2 LYS 19 - HA LYS 26 far 0 46 0 - 6.8-20.5 HD2 LYS 31 - HA LYS 36 far 0 99 0 - 7.0-16.1 HD3 LYS 19 - HA LYS 26 far 0 44 0 - 7.0-22.3 HD2 LYS 36 - HA LYS 26 far 0 51 0 - 7.0-20.6 HB2 LEU 69 - HA LYS 36 far 0 97 0 - 7.0-14.6 HD3 LYS 36 - HA LYS 26 far 0 51 0 - 7.2-21.5 HD3 LYS 31 - HA LYS 19 far 0 53 0 - 7.4-24.1 HD3 LYS 24 - HA LYS 36 far 0 99 0 - 7.6-27.9 HD3 LYS 31 - HA LYS 36 far 0 100 0 - 7.6-15.2 HD2 LYS 26 - HA LYS 19 far 0 54 0 - 7.7-20.2 HD2 LYS 24 - HA LYS 31 far 0 56 0 - 7.8-17.9 HD2 LYS 31 - HA LYS 19 far 0 52 0 - 7.8-23.5 HB2 LEU 98 - HA LYS 26 far 0 42 0 - 7.8-30.2 HD3 LYS 24 - HA LYS 31 far 0 53 0 - 8.4-19.1 HD2 LYS 39 - HA LYS 36 far 0 87 0 - 8.6-14.9 HD3 LYS 36 - HA LYS 19 far 0 54 0 - 8.7-31.8 HD2 LYS 36 - HA LYS 19 far 0 54 0 - 9.1-31.0 HB2 LEU 69 - HA LYS 31 far 0 51 0 - 9.5-16.2 HD2 LYS 19 - HA LYS 36 far 0 97 0 - 9.9-37.9 Violated in 0 structures by 0.00 A. Peak 985 from aliabs.peaks (4.28, 1.82, 32.86 ppm; 3.57 A): 6 out of 73 assignments used, quality = 1.00: * HA LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 31 + HB3 LYS 31 OK 74 74 100 100 2.2-3.0 3.0=100 HA LYS 26 + HB3 LYS 26 OK 67 67 100 100 2.2-3.0 3.0=100 HA LYS 19 + HB3 LYS 19 OK 60 60 100 100 2.3-2.7 3.0=100 HA THR 25 + HB3 LYS 24 OK 35 79 45 97 4.2-6.5 3.0/6233=51...(23) HA LYS 26 + HB3 LYS 31 OK 20 71 40 71 2.7-15.0 790/1.8=6, 791=6...(40) HA LYS 31 - HB3 LYS 26 poor 18 71 25 - 4.4-15.8 HA ARG 23 - HB3 LYS 24 poor 16 79 30 67 4.4-6.2 424/4.1=47, 6240/6233=16...(12) HA ALA 21 - HB3 LYS 24 poor 15 75 20 - 3.5-10.5 HA ARG 23 - HB3 LYS 19 far 10 66 15 - 4.3-14.0 HA ALA 21 - HB2 LYS 36 far 10 97 10 - 4.2-30.8 HA LYS 19 - HB3 LYS 24 poor 9 72 35 36 2.0-13.2 822/2.9=3, 793/2.9=3...(14) HA THR 25 - HB3 LYS 31 far 8 83 10 - 2.7-15.0 HA THR 18 - HB3 LYS 24 far 8 81 10 - 4.0-14.9 HA LEU 22 - HB3 LYS 24 poor 8 62 45 27 4.2-7.6 6212/4.1=10, ~831=3...(8) HA THR 18 - HB3 LYS 31 far 4 84 5 - 2.8-25.1 HA ALA 15 - HB3 LYS 31 far 4 83 5 - 4.8-24.3 HA ARG 23 - HB3 LYS 31 far 4 83 5 - 4.2-18.6 HA ALA 16 - HB3 LYS 31 far 4 81 5 - 3.3-26.4 HA LYS 36 - HB3 LYS 24 far 4 81 5 - 4.3-28.6 HA GLN 61 - HB3 LYS 26 far 4 80 5 - 4.1-24.5 HA THR 25 - HB3 LYS 26 far 4 79 5 - 4.7-6.6 HA ALA 109 - HB3 LYS 26 far 4 78 5 - 5.0-34.1 HA LYS 19 - HB3 LYS 31 far 4 76 5 - 3.9-25.7 HA ARG 23 - HB3 LYS 26 lone 4 79 30 16 2.0-11.3 424/6251=4, 6240/511=2...(4) HA ALA 12 - HB3 LYS 19 far 3 68 5 - 4.1-19.2 HA ALA 110 - HB3 LYS 19 far 3 68 5 - 5.0-51.4 HA ALA 15 - HB3 LYS 19 far 3 67 5 - 3.1-13.8 HA THR 25 - HB3 LYS 19 far 3 66 5 - 4.2-18.3 HA ALA 16 - HB3 LYS 19 far 3 65 5 - 4.1-11.3 HA LYS 31 - HB3 LYS 19 far 3 58 5 - 4.5-26.9 HA LYS 26 - HB3 LYS 19 far 3 56 5 - 5.0-20.0 HA ALA 21 - HB3 LYS 19 far 0 62 0 - 5.1-9.1 HA LYS 31 - HB2 LYS 36 far 0 93 0 - 5.5-14.2 HA LYS 19 - HB3 LYS 26 far 0 72 0 - 5.6-21.5 HA THR 18 - HB3 LYS 19 far 0 68 0 - 5.6-6.6 HA ALA 108 - HB3 LYS 26 far 0 78 0 - 5.7-32.7 HA ALA 110 - HB3 LYS 26 far 0 81 0 - 5.7-35.3 HA THR 18 - HB2 LYS 36 far 0 100 0 - 5.7-36.4 HA THR 25 - HB2 LYS 36 far 0 99 0 - 5.9-25.6 HA ALA 15 - HB3 LYS 24 far 0 80 0 - 5.9-19.8 HA ALA 12 - HB3 LYS 31 far 0 85 0 - 6.0-26.6 HA LYS 26 - HB3 LYS 24 far 0 68 0 - 6.1-8.8 HA LEU 22 - HB3 LYS 26 far 0 62 0 - 6.3-13.3 HA LEU 22 - HB3 LYS 19 far 0 51 0 - 6.5-9.9 HA ARG 23 - HB2 LYS 36 far 0 99 0 - 6.5-28.2 HA ALA 15 - HB3 LYS 26 far 0 80 0 - 6.6-24.8 HA LYS 36 - HB3 LYS 31 far 0 85 0 - 6.7-16.3 HA LYS 36 - HB3 LYS 26 far 0 81 0 - 6.9-25.7 HA LEU 22 - HB2 LYS 36 far 0 85 0 - 7.2-31.8 HA LYS 26 - HB2 LYS 36 far 0 90 0 - 7.2-24.7 HA ALA 16 - HB3 LYS 24 far 0 78 0 - 7.3-17.7 HA ALA 21 - HB3 LYS 26 far 0 74 0 - 7.3-15.2 HA ALA 21 - HB3 LYS 31 far 0 78 0 - 7.4-19.9 HA ALA 12 - HB3 LYS 24 far 0 81 0 - 7.6-23.5 HA THR 18 - HB3 LYS 26 far 0 80 0 - 7.6-20.1 HA LYS 31 - HB3 LYS 24 far 0 71 0 - 7.6-18.1 HA GLN 61 - HB3 LYS 31 far 0 83 0 - 7.6-24.0 HA GLN 61 - HB3 LYS 24 far 0 80 0 - 7.7-24.4 HA ALA 108 - HB3 LYS 24 far 0 79 0 - 7.7-37.7 HA LEU 22 - HB3 LYS 31 far 0 66 0 - 7.9-19.7 HA LYS 19 - HB2 LYS 36 far 0 95 0 - 7.9-35.2 HA ALA 109 - HB3 LYS 19 far 0 66 0 - 8.0-50.5 HA ALA 109 - HB3 LYS 24 far 0 79 0 - 8.3-39.9 HA ALA 15 - HB2 LYS 36 far 0 100 0 - 8.6-31.8 HA LYS 36 - HB3 LYS 19 far 0 68 0 - 8.6-35.4 HA GLN 61 - HB3 LYS 19 far 0 67 0 - 8.7-30.4 HA ALA 16 - HB3 LYS 26 far 0 78 0 - 8.8-24.5 HA TYR 76 - HB2 LYS 36 far 0 76 0 - 8.8-18.0 HA ALA 108 - HB3 LYS 31 far 0 82 0 - 9.1-32.9 HA ALA 16 - HB2 LYS 36 far 0 99 0 - 9.2-35.2 HA ALA 108 - HB3 LYS 19 far 0 66 0 - 9.5-48.5 HA SER 74 - HB3 LYS 31 far 0 84 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 986 from aliabs.peaks (1.82, 1.82, 32.86 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 36 + HB2 LYS 36 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 83 83 - 100 HB3 LYS 26 + HB3 LYS 26 OK 81 81 - 100 HB3 LYS 24 + HB3 LYS 24 OK 81 81 - 100 HB3 LYS 19 + HB3 LYS 19 OK 63 63 - 100 Peak 987 from aliabs.peaks (1.88, 1.82, 32.86 ppm; 2.76 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 36 - HB3 LYS 24 far 4 81 5 - 2.3-27.7 HB3 LEU 48 - HB3 LYS 19 far 0 63 0 - 4.8-34.3 HB3 LEU 48 - HB3 LYS 26 far 0 76 0 - 5.0-26.3 HB2 GLU 40 - HB3 LYS 24 far 0 69 0 - 5.2-31.0 HB3 LEU 48 - HB3 LYS 24 far 0 76 0 - 5.8-27.6 HB3 LYS 36 - HB3 LYS 26 far 0 81 0 - 6.4-24.6 HB3 LYS 36 - HB3 LYS 31 far 0 85 0 - 6.8-15.5 HB2 GLU 40 - HB2 LYS 36 far 0 92 0 - 7.4-14.8 HB3 LYS 36 - HB3 LYS 19 far 0 68 0 - 8.3-33.8 HB3 LEU 48 - HB2 LYS 36 far 0 97 0 - 8.5-17.7 HB3 LEU 48 - HB3 LYS 31 far 0 79 0 - 9.1-23.3 HB2 GLU 40 - HB3 LYS 19 far 0 57 0 - 9.3-38.8 HB2 GLU 40 - HB3 LYS 31 far 0 73 0 - 9.4-25.2 Violated in 0 structures by 0.00 A. Peak 988 from aliabs.peaks (1.38, 1.82, 32.86 ppm; 3.68 A): 7 out of 65 assignments used, quality = 1.00: * HG2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 83 83 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HB3 LYS 24 OK 80 80 100 100 2.3-3.0 2.9=100 HG2 LYS 19 + HB3 LYS 19 OK 63 63 100 100 2.5-3.0 3.0=100 HG3 LYS 26 + HB3 LYS 31 OK 30 85 40 89 2.2-16.3 1.8/629=8, 640=7...(81) HG3 LYS 31 + HB3 LYS 26 OK 25 80 35 91 3.3-14.9 835=5, 1.8/284=5...(117) HG2 LYS 19 - HB3 LYS 24 poor 19 76 25 - 3.4-16.0 HG2 LYS 24 - HB3 LYS 19 poor 13 67 20 - 2.0-15.9 QB ALA 15 - HB3 LYS 31 far 13 85 15 - 2.6-21.8 QB ALA 28 - HB3 LYS 31 far 13 84 15 - 4.8-8.0 QB ALA 15 - HB3 LYS 19 far 10 68 15 - 4.0-12.6 HG3 LYS 26 - HB2 LYS 36 far 5 100 5 - 4.6-27.1 QB ALA 29 - HB2 LYS 36 far 5 100 5 - 5.0-13.4 HG3 LYS 31 - HB2 LYS 36 far 5 100 5 - 3.8-16.2 HG2 LYS 24 - HB3 LYS 31 far 4 84 5 - 5.1-19.1 QB ALA 29 - HB3 LYS 24 far 4 81 5 - 2.6-12.1 QB ALA 15 - HB3 LYS 24 far 4 81 5 - 4.1-15.5 QB ALA 108 - HB3 LYS 26 far 4 81 5 - 3.5-26.4 HG2 LYS 36 - HB3 LYS 24 far 4 81 5 - 4.9-26.5 QB ALA 110 - HB3 LYS 26 far 4 81 5 - 3.1-29.9 QB ALA 108 - HB3 LYS 24 far 4 81 5 - 5.2-30.4 HG2 LYS 24 - HB3 LYS 26 far 4 80 5 - 2.9-11.3 HG3 LYS 31 - HB3 LYS 24 far 4 80 5 - 4.8-17.7 HG2 LYS 19 - HB3 LYS 31 far 4 79 5 - 4.7-26.5 QB ALA 16 - HB3 LYS 31 far 4 78 5 - 3.6-22.8 QB ALA 110 - HB3 LYS 19 far 3 68 5 - 5.1-43.2 QB ALA 28 - HB3 LYS 19 far 3 67 5 - 5.1-20.6 HG3 LYS 31 - HB3 LYS 19 far 3 67 5 - 3.7-24.3 QB ALA 12 - HB3 LYS 31 far 3 62 5 - 3.4-20.9 QB ALA 16 - HB3 LYS 19 far 3 62 5 - 4.9-10.4 QB ALA 12 - HB3 LYS 19 far 2 48 5 - 1.9-16.7 QB ALA 28 - HB3 LYS 24 lone 1 80 25 6 3.3-12.8 6234/6233=2, 10790=1 QB ALA 28 - HB3 LYS 26 far 0 80 0 - 5.2-7.7 QB ALA 29 - HB3 LYS 26 far 0 81 0 - 5.3-9.5 HG3 LYS 26 - HB3 LYS 24 far 0 81 0 - 5.4-11.5 HG2 LYS 24 - HB2 LYS 36 far 0 100 0 - 5.6-29.5 HG3 LYS 95 - HB3 LYS 24 far 0 80 0 - 5.6-33.4 QB ALA 109 - HB3 LYS 26 far 0 78 0 - 5.7-27.3 QB ALA 109 - HB3 LYS 24 far 0 79 0 - 5.9-33.1 QB ALA 29 - HB3 LYS 31 far 0 85 0 - 5.9-8.3 QB ALA 16 - HB3 LYS 24 far 0 75 0 - 6.0-15.3 HG2 LYS 19 - HB3 LYS 26 far 0 76 0 - 6.0-24.6 QB ALA 15 - HB3 LYS 26 far 0 81 0 - 6.3-19.9 QB ALA 109 - HB3 LYS 19 far 0 66 0 - 6.3-40.7 QB ALA 29 - HB3 LYS 19 far 0 68 0 - 6.4-19.6 HB2 LEU 42 - HB2 LYS 36 far 0 99 0 - 6.5-10.8 QB ALA 16 - HB2 LYS 36 far 0 97 0 - 6.6-28.2 HG2 LYS 95 - HB3 LYS 24 far 0 78 0 - 6.7-33.3 HG2 LYS 36 - HB3 LYS 26 far 0 81 0 - 6.8-22.9 QB ALA 12 - HB3 LYS 24 far 0 59 0 - 6.9-17.9 QB ALA 16 - HB3 LYS 26 far 0 74 0 - 7.0-20.5 HG3 LYS 26 - HB3 LYS 19 far 0 68 0 - 7.1-21.9 QB ALA 15 - HB2 LYS 36 far 0 100 0 - 7.4-28.2 HG2 LYS 36 - HB3 LYS 31 far 0 85 0 - 7.5-13.3 QB ALA 28 - HB2 LYS 36 far 0 100 0 - 8.1-17.1 HG2 LYS 36 - HB3 LYS 19 far 0 68 0 - 8.2-32.7 QB ALA 12 - HB3 LYS 26 far 0 58 0 - 8.2-20.8 QB ALA 108 - HB3 LYS 31 far 0 85 0 - 8.5-26.6 QB ALA 110 - HB3 LYS 24 far 0 81 0 - 9.1-35.2 HB3 LEU 100 - HB3 LYS 26 far 0 78 0 - 9.4-22.1 HG2 LYS 19 - HB2 LYS 36 far 0 97 0 - 9.5-36.6 QB ALA 108 - HB3 LYS 19 far 0 68 0 - 9.7-39.7 QB ALA 12 - HB2 LYS 36 far 0 81 0 - 9.8-26.6 QB ALA 109 - HB3 LYS 31 far 0 82 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 989 from aliabs.peaks (1.46, 1.82, 32.86 ppm; 3.94 A): 6 out of 28 assignments used, quality = 1.00: * HG3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 85 85 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HB3 LYS 24 OK 75 75 100 100 2.2-3.0 2.9=100 HG3 LYS 19 + HB3 LYS 19 OK 48 48 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HB3 LYS 26 OK 44 44 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 26 OK 27 81 35 94 3.6-16.1 526=7, 823/1.8=6...(138) HG2 LYS 26 - HB3 LYS 31 poor 19 47 40 - 2.5-17.3 HG3 LYS 24 - HB3 LYS 19 poor 19 62 30 - 2.0-15.5 HG2 LYS 26 - HB2 LYS 36 far 6 63 10 - 4.0-27.3 HG3 LYS 19 - HB3 LYS 24 far 6 59 10 - 3.9-16.0 HG2 LYS 31 - HB2 LYS 36 far 5 100 5 - 3.7-16.4 HG3 LYS 36 - HB3 LYS 24 far 4 81 5 - 3.5-27.2 HG2 LYS 31 - HB3 LYS 24 far 4 81 5 - 4.5-18.4 HG3 LYS 36 - HB3 LYS 26 far 4 81 5 - 5.1-23.3 HG3 LYS 24 - HB3 LYS 31 far 4 78 5 - 5.0-17.6 HG3 LYS 24 - HB3 LYS 26 far 4 74 5 - 3.6-11.7 HG2 LYS 31 - HB3 LYS 19 far 3 68 5 - 4.2-25.3 HG LEU 42 - HB2 LYS 36 far 3 63 5 - 5.3-12.7 HG3 LYS 19 - HB3 LYS 31 far 3 62 5 - 4.5-27.7 QB ALA 52 - HB3 LYS 24 far 3 59 5 - 5.0-22.6 HG2 LYS 26 - HB3 LYS 24 far 0 44 0 - 5.5-11.9 HG3 LYS 24 - HB2 LYS 36 far 0 97 0 - 5.5-27.7 HG3 LYS 19 - HB3 LYS 26 far 0 58 0 - 5.6-24.0 HG3 LYS 36 - HB3 LYS 31 far 0 85 0 - 6.0-13.7 HG2 LYS 26 - HB3 LYS 19 far 0 35 0 - 6.8-23.3 QB ALA 52 - HB3 LYS 19 far 0 48 0 - 7.2-28.5 QB ALA 52 - HB3 LYS 26 far 0 58 0 - 7.2-22.7 HG3 LYS 36 - HB3 LYS 19 far 0 68 0 - 8.3-32.7 Violated in 0 structures by 0.00 A. Peak 990 from aliabs.peaks (1.66, 1.82, 32.86 ppm; 4.62 A): 16 out of 55 assignments used, quality = 1.00: * HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.1-4.0 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 84 84 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 82 82 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 81 81 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.0-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 80 80 100 100 2.2-4.0 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 77 77 100 100 2.5-4.2 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 61 61 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 58 58 100 100 2.1-3.7 3.9=100 HD2 LYS 26 + HB3 LYS 31 OK 41 84 50 98 2.9-17.3 2.9/629=8, 2.9/640=6...(161) HD3 LYS 26 + HB3 LYS 31 OK 33 85 40 98 3.4-17.4 2.9/629=8, 6336/6332=6...(139) HD3 LYS 31 + HB3 LYS 26 OK 28 80 35 99 4.5-14.4 10771/10769=16...(215) HD2 LYS 31 + HB3 LYS 26 OK 27 78 35 99 4.2-14.4 10771/10769=20...(211) HD2 LYS 24 + HB3 LYS 19 OK 23 68 35 95 2.0-16.0 3.0/526=4, ~823=3...(148) HD3 LYS 24 + HB3 LYS 19 OK 20 64 35 91 3.5-15.3 3.0/526=4, ~823=3...(119) HD2 LYS 26 - HB2 LYS 36 poor 16 100 25 66 5.1-27.9 ~1004=6, ~1003=6...(27) HD3 LYS 26 - HB2 LYS 36 poor 16 100 25 65 4.4-27.1 ~1004=6, ~1003=6...(27) HD3 LYS 19 - HB3 LYS 24 poor 14 71 20 - 2.0-16.3 HD2 LYS 19 - HB3 LYS 24 poor 13 73 30 58 3.7-15.7 294/1.8=1, 5.2/596=1...(6) HD3 LYS 36 - HB3 LYS 24 far 8 81 10 - 5.5-25.2 HD2 LYS 24 - HB2 LYS 36 far 5 100 5 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 5 100 5 - 5.9-14.3 HD2 LYS 31 - HB2 LYS 36 far 5 99 5 - 5.0-15.5 HD2 LYS 36 - HB3 LYS 24 far 4 81 5 - 4.2-24.7 HD2 LYS 24 - HB3 LYS 26 far 4 81 5 - 5.1-12.6 HD3 LYS 36 - HB3 LYS 26 far 4 81 5 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 24 far 4 79 5 - 5.4-17.9 HD2 LYS 19 - HB3 LYS 31 far 4 77 5 - 3.6-27.6 HD3 LYS 24 - HB3 LYS 26 far 4 77 5 - 3.7-12.3 HD3 LYS 19 - HB3 LYS 31 far 4 74 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 3 68 5 - 5.2-34.1 HD3 LYS 31 - HB3 LYS 19 far 3 67 5 - 5.9-24.7 HD2 LYS 31 - HB3 LYS 19 far 3 66 5 - 6.0-24.2 HD3 LYS 31 - HB3 LYS 24 far 0 80 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 81 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 68 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 81 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 96 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 68 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 85 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 80 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 98 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 71 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 85 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 73 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 85 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 81 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 81 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 67 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 78 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 85 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 73 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 77 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 66 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 991 from aliabs.peaks (1.66, 1.82, 32.86 ppm; 4.62 A): 16 out of 55 assignments used, quality = 1.00: * HD3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.1-4.0 3.5=100 HD2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 84 84 100 100 2.1-3.8 3.5=100 HD2 LYS 31 + HB3 LYS 31 OK 83 83 100 100 2.5-4.2 3.5=100 HD2 LYS 24 + HB3 LYS 24 OK 81 81 100 100 2.2-4.2 3.5=100 HD3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.0-4.1 3.5=100 HD2 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.2-4.0 3.5=100 HD3 LYS 24 + HB3 LYS 24 OK 78 78 100 100 2.5-4.2 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 62 62 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 60 60 100 100 2.1-3.7 3.9=100 HD2 LYS 26 + HB3 LYS 31 OK 42 85 50 98 2.9-17.3 2.9/629=8, 2.9/640=6...(161) HD3 LYS 26 + HB3 LYS 31 OK 33 85 40 98 3.4-17.4 2.9/629=8, 6336/6332=6...(139) HD3 LYS 31 + HB3 LYS 26 OK 28 80 35 99 4.5-14.4 10771/10769=16...(215) HD2 LYS 31 + HB3 LYS 26 OK 27 79 35 99 4.2-14.4 10771/10769=20...(211) HD2 LYS 24 + HB3 LYS 19 OK 23 68 35 95 2.0-16.0 3.0/526=4, ~823=3...(148) HD3 LYS 24 + HB3 LYS 19 OK 21 65 35 91 3.5-15.3 3.0/526=4, ~823=3...(119) HD2 LYS 26 - HB2 LYS 36 poor 16 100 25 66 5.1-27.9 ~1004=6, ~1003=6...(27) HD3 LYS 26 - HB2 LYS 36 poor 16 100 25 65 4.4-27.1 ~1004=6, ~1003=6...(27) HD3 LYS 19 - HB3 LYS 24 poor 14 72 20 - 2.0-16.3 HD2 LYS 19 - HB3 LYS 24 poor 13 75 30 58 3.7-15.7 305/1.8=2, 5.2/596=1...(6) HD3 LYS 36 - HB3 LYS 24 far 8 81 10 - 5.5-25.2 HD2 LYS 24 - HB2 LYS 36 far 5 100 5 - 5.7-27.6 HD3 LYS 31 - HB2 LYS 36 far 5 100 5 - 5.9-14.3 HD2 LYS 31 - HB2 LYS 36 far 5 99 5 - 5.0-15.5 HD2 LYS 36 - HB3 LYS 24 far 4 81 5 - 4.2-24.7 HD2 LYS 24 - HB3 LYS 26 far 4 81 5 - 5.1-12.6 HD3 LYS 36 - HB3 LYS 26 far 4 81 5 - 6.0-22.1 HD2 LYS 31 - HB3 LYS 24 far 4 79 5 - 5.4-17.9 HD2 LYS 19 - HB3 LYS 31 far 4 78 5 - 3.6-27.6 HD3 LYS 24 - HB3 LYS 26 far 4 78 5 - 3.7-12.3 HD3 LYS 19 - HB3 LYS 31 far 4 76 5 - 4.1-28.8 HB2 LEU 98 - HB3 LYS 24 far 3 69 5 - 5.2-34.1 HD3 LYS 31 - HB3 LYS 19 far 3 68 5 - 5.9-24.7 HD2 LYS 31 - HB3 LYS 19 far 3 66 5 - 6.0-24.2 HD3 LYS 31 - HB3 LYS 24 far 0 81 0 - 6.4-19.4 HD2 LYS 26 - HB3 LYS 24 far 0 81 0 - 6.4-12.7 HD2 LYS 26 - HB3 LYS 19 far 0 68 0 - 6.5-21.2 HD2 LYS 36 - HB3 LYS 26 far 0 81 0 - 6.5-21.1 HB2 LEU 69 - HB2 LYS 36 far 0 97 0 - 6.5-14.5 HD3 LYS 26 - HB3 LYS 19 far 0 68 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 85 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 81 0 - 6.8-18.8 HD3 LYS 24 - HB2 LYS 36 far 0 99 0 - 6.9-28.2 HD3 LYS 19 - HB3 LYS 26 far 0 72 0 - 6.9-24.6 HD3 LYS 36 - HB3 LYS 31 far 0 85 0 - 7.1-13.3 HD2 LYS 19 - HB3 LYS 26 far 0 74 0 - 7.3-22.9 HD2 LYS 24 - HB3 LYS 31 far 0 85 0 - 7.6-17.9 HD3 LYS 95 - HB3 LYS 24 far 0 81 0 - 7.6-33.5 HD3 LYS 26 - HB3 LYS 24 far 0 81 0 - 7.7-11.2 HB2 LEU 98 - HB3 LYS 26 far 0 69 0 - 8.1-29.9 HD2 LYS 95 - HB3 LYS 24 far 0 79 0 - 8.2-34.6 HG LEU 43 - HB2 LYS 36 far 0 87 0 - 8.3-14.1 HB2 LEU 69 - HB3 LYS 24 far 0 75 0 - 9.5-21.6 HB2 LEU 69 - HB3 LYS 31 far 0 78 0 - 9.8-17.4 HD2 LYS 39 - HB3 LYS 24 far 0 64 0 - 10.0-32.4 Violated in 0 structures by 0.00 A. Peak 992 from aliabs.peaks (2.96, 1.82, 32.86 ppm; 6.23 A): 20 out of 53 assignments used, quality = 1.00: HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 * HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HE2 LYS 31 + HB3 LYS 31 OK 85 85 100 100 2.0-5.2 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 82 82 100 100 2.0-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 81 81 100 100 3.3-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.0-5.4 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 79 79 100 100 2.0-5.1 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 72 72 100 100 2.8-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.3-4.8 5.1=100 HE2 LYS 26 + HB2 LYS 36 OK 49 100 55 89 2.4-29.4 1004/1.8=15, ~1004=12...(50) HE2 LYS 26 + HB3 LYS 31 OK 46 85 55 99 2.2-19.2 3.6/629=9, 6338/6332=8...(163) HE3 LYS 26 + HB3 LYS 31 OK 46 85 55 99 3.3-19.0 3.6/629=9, 6338/6332=8...(158) HE2 LYS 31 + HB3 LYS 26 OK 38 81 50 94 3.9-12.8 3.7/1019=7, 3.7/835=6...(131) HE3 LYS 26 + HB2 LYS 36 OK 38 100 45 85 2.6-28.9 1004/1.8=14, ~1004=12...(30) HE3 LYS 31 + HB3 LYS 26 OK 33 78 45 95 4.4-13.0 3.7/1019=7, 3.7/835=6...(131) HE3 LYS 24 + HB3 LYS 19 OK 26 60 45 95 3.9-16.9 11770/3.0=4, 4.0/526=4...(153) HE2 LYS 19 + HB3 LYS 24 OK 22 80 35 80 3.5-17.2 613/1.8=2, 1025/2.9=2...(91) HE2 LYS 24 + HB3 LYS 19 OK 22 66 35 96 2.6-16.3 ~1228=5, ~1217=5...(152) HE3 LYS 19 + HB3 LYS 24 OK 21 80 35 74 4.6-17.1 1025/2.9=2, 6.4/596=2...(79) HE3 LYS 31 - HB2 LYS 36 poor 20 99 20 - 5.6-14.2 HE2 LYS 36 - HB3 LYS 26 poor 16 81 20 - 4.2-22.7 HE2 LYS 24 - HB3 LYS 31 far 12 82 15 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 12 85 45 31 4.9-14.1 6337/6332=3...(3) HE2 LYS 36 - HB3 LYS 24 far 8 81 10 - 3.5-25.9 HE2 LYS 24 - HB3 LYS 26 far 8 78 10 - 5.2-13.2 HE2 LYS 36 - HB3 LYS 31 poor 7 85 25 35 5.3-14.3 10813/10751=2...(4) HE3 LYS 24 - HB3 LYS 26 far 7 72 10 - 6.0-13.6 HE2 LYS 31 - HB3 LYS 19 far 7 68 10 - 6.5-26.1 HE3 LYS 31 - HB3 LYS 19 far 7 66 10 - 7.4-27.0 HE2 LYS 24 - HB2 LYS 36 far 5 99 5 - 6.1-29.9 HE3 LYS 36 - HB3 LYS 26 poor 5 81 25 23 5.3-23.0 10721/10898=3, 10813/10751=2 HE3 LYS 24 - HB2 LYS 36 far 5 95 5 - 7.5-29.6 HB2 CYS 45 - HB2 LYS 36 lone 5 71 50 13 1.8-11.9 10889/10749=3...(6) HE2 LYS 26 - HB3 LYS 24 lone 4 81 35 15 5.5-13.1 9587/985=1 HE2 LYS 19 - HB3 LYS 31 far 4 84 5 - 5.8-26.9 HE3 LYS 19 - HB3 LYS 31 far 4 84 5 - 6.2-27.1 HE3 LYS 36 - HB3 LYS 24 far 4 81 5 - 5.2-26.7 HE2 LYS 31 - HB2 LYS 36 lone 4 100 35 11 6.2-12.8 10721/10898=5, 10804/929=3 HE3 LYS 31 - HB3 LYS 24 far 4 79 5 - 7.6-18.3 HE3 LYS 26 - HB3 LYS 24 lone 4 81 25 19 4.8-12.9 9587/985=2 HE3 LYS 24 - HB3 LYS 31 far 4 76 5 - 6.7-20.0 HE2 LYS 26 - HB3 LYS 19 far 3 68 5 - 6.1-23.7 HE3 LYS 26 - HB3 LYS 19 far 3 68 5 - 7.6-23.7 HB2 CYS 45 - HB3 LYS 26 far 3 50 5 - 7.5-24.2 HE2 LYS 31 - HB3 LYS 24 far 0 81 0 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 0 80 0 - 8.0-25.2 HB3 ASN 116 - HB3 LYS 24 far 0 46 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 80 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 66 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 53 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 68 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 41 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 993 from aliabs.peaks (2.96, 1.82, 32.86 ppm; 6.23 A): 20 out of 53 assignments used, quality = 1.00: * HE3 LYS 36 + HB2 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 HE2 LYS 36 + HB2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HE2 LYS 31 + HB3 LYS 31 OK 85 85 100 100 2.0-5.2 4.8=100 HE3 LYS 31 + HB3 LYS 31 OK 82 82 100 100 2.0-5.0 4.8=100 HE2 LYS 26 + HB3 LYS 26 OK 81 81 100 100 3.3-5.0 4.8=100 HE3 LYS 26 + HB3 LYS 26 OK 81 81 100 100 2.0-5.4 4.8=100 HE2 LYS 24 + HB3 LYS 24 OK 79 79 100 100 2.0-5.1 5.1=100 HE3 LYS 24 + HB3 LYS 24 OK 72 72 100 100 2.8-5.3 5.1=100 HE2 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.1-4.9 5.1=100 HE3 LYS 19 + HB3 LYS 19 OK 67 67 100 100 2.3-4.8 5.1=100 HE2 LYS 26 + HB2 LYS 36 OK 49 100 55 89 2.4-29.4 1004/1.8=15, ~1004=12...(50) HE2 LYS 26 + HB3 LYS 31 OK 46 85 55 99 2.2-19.2 3.6/629=9, 6338/6332=8...(163) HE3 LYS 26 + HB3 LYS 31 OK 46 85 55 99 3.3-19.0 3.6/629=9, 6338/6332=8...(158) HE2 LYS 31 + HB3 LYS 26 OK 38 81 50 94 3.9-12.8 3.7/1019=7, 3.7/835=6...(131) HE3 LYS 26 + HB2 LYS 36 OK 38 100 45 85 2.6-28.9 1004/1.8=14, ~1004=12...(30) HE3 LYS 31 + HB3 LYS 26 OK 33 78 45 95 4.4-13.0 3.7/1019=7, 3.7/835=6...(131) HE3 LYS 24 + HB3 LYS 19 OK 26 60 45 95 3.9-16.9 11770/3.0=4, 4.0/526=4...(153) HE2 LYS 19 + HB3 LYS 24 OK 22 80 35 80 3.5-17.2 613/1.8=2, 1025/2.9=2...(91) HE2 LYS 24 + HB3 LYS 19 OK 22 66 35 96 2.6-16.3 ~1228=5, ~1217=5...(152) HE3 LYS 19 + HB3 LYS 24 OK 21 80 35 74 4.6-17.1 1025/2.9=2, 6.4/596=2...(79) HE3 LYS 31 - HB2 LYS 36 poor 20 99 20 - 5.6-14.2 HE2 LYS 36 - HB3 LYS 26 poor 16 81 20 - 4.2-22.7 HE2 LYS 24 - HB3 LYS 31 far 12 82 15 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 poor 12 85 45 31 4.9-14.1 6337/6332=3...(3) HE2 LYS 36 - HB3 LYS 24 far 8 81 10 - 3.5-25.9 HE2 LYS 24 - HB3 LYS 26 far 8 78 10 - 5.2-13.2 HE2 LYS 36 - HB3 LYS 31 poor 7 85 25 35 5.3-14.3 10813/10751=2...(4) HE3 LYS 24 - HB3 LYS 26 far 7 72 10 - 6.0-13.6 HE2 LYS 31 - HB3 LYS 19 far 7 68 10 - 6.5-26.1 HE3 LYS 31 - HB3 LYS 19 far 7 66 10 - 7.4-27.0 HE2 LYS 24 - HB2 LYS 36 far 5 99 5 - 6.1-29.9 HE3 LYS 36 - HB3 LYS 26 poor 5 81 25 23 5.3-23.0 10721/10898=3, 10813/10751=2 HE3 LYS 24 - HB2 LYS 36 far 5 95 5 - 7.5-29.6 HB2 CYS 45 - HB2 LYS 36 lone 5 71 50 13 1.8-11.9 10889/10749=3...(6) HE2 LYS 26 - HB3 LYS 24 lone 4 81 35 15 5.5-13.1 9587/985=1 HE2 LYS 19 - HB3 LYS 31 far 4 84 5 - 5.8-26.9 HE3 LYS 19 - HB3 LYS 31 far 4 84 5 - 6.2-27.1 HE3 LYS 36 - HB3 LYS 24 far 4 81 5 - 5.2-26.7 HE2 LYS 31 - HB2 LYS 36 lone 4 100 35 11 6.2-12.8 10721/10898=5, 10804/929=3 HE3 LYS 31 - HB3 LYS 24 far 4 79 5 - 7.6-18.3 HE3 LYS 26 - HB3 LYS 24 lone 4 81 25 19 4.8-12.9 9587/985=2 HE3 LYS 24 - HB3 LYS 31 far 4 76 5 - 6.7-20.0 HE2 LYS 26 - HB3 LYS 19 far 3 68 5 - 6.1-23.7 HE3 LYS 26 - HB3 LYS 19 far 3 68 5 - 7.6-23.7 HB2 CYS 45 - HB3 LYS 26 far 3 50 5 - 7.5-24.2 HE2 LYS 31 - HB3 LYS 24 far 0 81 0 - 7.8-18.3 HE3 LYS 19 - HB3 LYS 26 far 0 80 0 - 8.0-25.2 HB3 ASN 116 - HB3 LYS 24 far 0 46 0 - 8.6-32.7 HE2 LYS 19 - HB3 LYS 26 far 0 80 0 - 8.7-23.7 HB3 ASN 121 - HB3 LYS 24 far 0 66 0 - 8.8-31.5 HB2 CYS 45 - HB3 LYS 31 far 0 53 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 68 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 41 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 996 from aliabs.peaks (4.28, 1.88, 32.86 ppm; 3.34 A): 1 out of 12 assignments used, quality = 1.00: * HA LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-2.8 3.0=100 HA THR 18 - HB3 LYS 36 far 5 100 5 - 4.5-35.2 HA ALA 21 - HB3 LYS 36 far 5 97 5 - 3.1-29.6 HA THR 25 - HB3 LYS 36 far 0 99 0 - 5.0-24.8 HA LEU 22 - HB3 LYS 36 far 0 85 0 - 6.1-30.7 HA LYS 19 - HB3 LYS 36 far 0 95 0 - 6.2-34.1 HA LYS 31 - HB3 LYS 36 far 0 93 0 - 6.3-14.1 HA ARG 23 - HB3 LYS 36 far 0 99 0 - 6.8-27.3 HA LYS 26 - HB3 LYS 36 far 0 90 0 - 6.8-24.0 HA ALA 16 - HB3 LYS 36 far 0 99 0 - 8.9-34.0 HA TYR 76 - HB3 LYS 36 far 0 76 0 - 9.2-17.5 HA ALA 15 - HB3 LYS 36 far 0 100 0 - 9.7-30.4 Violated in 0 structures by 0.00 A. Peak 997 from aliabs.peaks (1.82, 1.88, 32.86 ppm; 2.53 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 32 - HB3 LYS 36 poor 16 99 25 65 1.6-9.3 2.1/10810=18, ~10898=10...(17) HB3 LYS 24 - HB3 LYS 36 far 5 100 5 - 2.3-27.7 HB3 ARG 23 - HB3 LYS 36 far 0 100 0 - 5.1-25.6 HB3 LYS 26 - HB3 LYS 36 far 0 100 0 - 6.4-24.6 HB3 LYS 31 - HB3 LYS 36 far 0 100 0 - 6.8-15.5 HB3 LYS 19 - HB3 LYS 36 far 0 97 0 - 8.3-33.8 Violated in 0 structures by 0.00 A. Peak 998 from aliabs.peaks (1.88, 1.88, 32.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 Peak 999 from aliabs.peaks (1.38, 1.88, 32.86 ppm; 3.50 A): 1 out of 11 assignments used, quality = 1.00: * HG2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 LYS 26 - HB3 LYS 36 far 15 100 15 - 4.5-26.3 HG2 LYS 24 - HB3 LYS 36 far 5 100 5 - 4.8-28.3 HG3 LYS 31 - HB3 LYS 36 far 5 100 5 - 5.0-15.8 HB2 LEU 42 - HB3 LYS 36 far 5 99 5 - 5.0-11.2 QB ALA 29 - HB3 LYS 36 far 0 100 0 - 5.1-12.6 QB ALA 16 - HB3 LYS 36 far 0 97 0 - 6.4-27.2 QB ALA 28 - HB3 LYS 36 far 0 100 0 - 7.4-16.6 HG2 LYS 19 - HB3 LYS 36 far 0 97 0 - 8.0-35.6 QB ALA 15 - HB3 LYS 36 far 0 100 0 - 8.5-27.0 QB ALA 12 - HB3 LYS 36 far 0 81 0 - 8.7-25.7 Violated in 0 structures by 0.00 A. Peak 1000 from aliabs.peaks (1.46, 1.88, 32.86 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 26 - HB3 LYS 36 far 6 63 10 - 3.5-26.5 HG2 LYS 31 - HB3 LYS 36 far 5 100 5 - 5.0-15.9 HG3 LYS 24 - HB3 LYS 36 far 5 97 5 - 4.5-26.6 HG LEU 42 - HB3 LYS 36 far 0 63 0 - 5.4-13.3 HG3 LYS 19 - HB3 LYS 36 far 0 81 0 - 8.4-35.3 Violated in 0 structures by 0.00 A. Peak 1001 from aliabs.peaks (1.66, 1.88, 32.86 ppm; 4.08 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 26 - HB3 LYS 36 far 10 100 10 - 5.3-26.4 HD2 LYS 24 - HB3 LYS 36 far 5 100 5 - 4.4-26.5 HD2 LYS 26 - HB3 LYS 36 far 5 100 5 - 5.4-27.2 HB2 LEU 69 - HB3 LYS 36 far 5 96 5 - 5.3-14.3 HD2 LYS 31 - HB3 LYS 36 far 0 99 0 - 5.7-14.8 HD3 LYS 24 - HB3 LYS 36 far 0 98 0 - 5.8-27.0 HD3 LYS 31 - HB3 LYS 36 far 0 100 0 - 6.9-14.6 HG LEU 43 - HB3 LYS 36 far 0 85 0 - 7.7-14.2 HD2 LYS 39 - HB3 LYS 36 far 0 89 0 - 9.2-16.2 Violated in 0 structures by 0.00 A. Peak 1002 from aliabs.peaks (1.66, 1.88, 32.86 ppm; 4.08 A): 2 out of 11 assignments used, quality = 1.00: * HD3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.1-4.2 3.5=100 HD2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 26 - HB3 LYS 36 far 10 100 10 - 5.3-26.4 HD2 LYS 24 - HB3 LYS 36 far 5 100 5 - 4.4-26.5 HD2 LYS 26 - HB3 LYS 36 far 5 100 5 - 5.4-27.2 HB2 LEU 69 - HB3 LYS 36 far 5 97 5 - 5.3-14.3 HD2 LYS 31 - HB3 LYS 36 far 0 99 0 - 5.7-14.8 HD3 LYS 24 - HB3 LYS 36 far 0 99 0 - 5.8-27.0 HD3 LYS 31 - HB3 LYS 36 far 0 100 0 - 6.9-14.6 HG LEU 43 - HB3 LYS 36 far 0 87 0 - 7.7-14.2 HD2 LYS 39 - HB3 LYS 36 far 0 87 0 - 9.2-16.2 Violated in 0 structures by 0.00 A. Peak 1003 from aliabs.peaks (2.96, 1.88, 32.86 ppm; 5.42 A): 4 out of 9 assignments used, quality = 1.00: HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 1.9-4.6 4.9=100 * HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-4.8 4.9=100 HE3 LYS 26 + HB3 LYS 36 OK 41 100 50 81 3.1-28.2 1053=13, 10840/10810=11...(60) HE2 LYS 26 + HB3 LYS 36 OK 33 100 40 84 2.9-28.6 1053=12, 10840/10810=11...(66) HE2 LYS 31 - HB3 LYS 36 far 10 100 10 - 5.5-13.6 HE2 LYS 24 - HB3 LYS 36 far 5 99 5 - 4.5-28.8 HE3 LYS 31 - HB3 LYS 36 far 5 99 5 - 5.0-14.6 HE3 LYS 24 - HB3 LYS 36 far 5 95 5 - 6.1-28.5 HB2 CYS 45 - HB3 LYS 36 lone 4 71 50 11 2.9-10.7 10889/10856=5...(3) Violated in 0 structures by 0.00 A. Peak 1004 from aliabs.peaks (2.96, 1.88, 32.86 ppm; 5.42 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 36 + HB3 LYS 36 OK 100 100 100 100 1.9-4.6 4.9=100 HE2 LYS 36 + HB3 LYS 36 OK 100 100 100 100 2.2-4.8 4.9=100 HE3 LYS 26 + HB3 LYS 36 OK 41 100 50 81 3.1-28.2 1053=13, 10840/10810=11...(60) HE2 LYS 26 + HB3 LYS 36 OK 33 100 40 84 2.9-28.6 1053=12, 10840/10810=11...(66) HE2 LYS 31 - HB3 LYS 36 far 10 100 10 - 5.5-13.6 HE2 LYS 24 - HB3 LYS 36 far 5 99 5 - 4.5-28.8 HE3 LYS 31 - HB3 LYS 36 far 5 99 5 - 5.0-14.6 HE3 LYS 24 - HB3 LYS 36 far 5 95 5 - 6.1-28.5 HB2 CYS 45 - HB3 LYS 36 lone 4 71 50 11 2.9-10.7 10889/10856=5...(3) Violated in 0 structures by 0.00 A. Peak 1007 from aliabs.peaks (4.28, 1.38, 24.92 ppm; 5.83 A): 13 out of 74 assignments used, quality = 1.00: * HA LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.3-3.8 4.1=100 HA THR 25 + HG2 LYS 24 OK 72 72 100 100 3.0-6.9 3.0/6234=71, ~6233=58...(28) HA ARG 23 + HG2 LYS 24 OK 71 72 100 99 4.1-6.9 3.6/6222=96...(20) HA LYS 31 + HG3 LYS 31 OK 56 56 100 100 2.0-4.2 3.8=100 HA THR 25 + HG3 LYS 26 OK 55 58 95 100 3.0-7.7 582/4.9=89, 11128/3.0=42...(23) HA THR 18 + HG2 LYS 19 OK 50 50 100 100 4.0-7.3 226/4.9=87, 3.0/10683=58...(21) HA LYS 26 + HG3 LYS 26 OK 49 49 100 100 2.6-3.9 4.0=100 HA LYS 19 + HG2 LYS 19 OK 44 44 100 100 2.3-3.7 4.2=100 HA LEU 22 + HG2 LYS 24 OK 32 56 85 68 2.7-8.4 6212/6222=19...(13) HA LYS 26 + HG3 LYS 31 OK 28 53 55 98 2.3-14.5 790/3.0=10, 6330/5.0=7...(140) HA LYS 31 + HG3 LYS 26 OK 25 51 50 99 4.5-16.0 3.6/6346=10, 3.0/804=8...(148) HA LYS 19 + HG2 LYS 24 OK 25 65 40 95 2.2-15.3 822/1.8=6, 424/6222=6...(130) HA ARG 23 + HG3 LYS 26 OK 25 58 50 84 2.4-10.6 4.9/10729=60, 6240/522=9...(46) HA THR 18 - HG2 LYS 24 poor 18 73 25 - 3.6-15.8 HA ALA 12 - HG2 LYS 19 poor 18 50 35 - 5.5-18.1 HA ALA 16 - HG2 LYS 19 poor 17 48 35 - 4.7-10.8 HA THR 25 - HG3 LYS 31 poor 16 63 25 - 3.6-15.1 HA ARG 23 - HG3 LYS 31 poor 16 63 25 - 5.1-16.2 HA LEU 22 - HG3 LYS 26 poor 11 45 25 - 6.5-13.0 HA THR 18 - HG3 LYS 31 far 10 64 15 - 3.2-23.1 HA ALA 21 - HG2 LYS 36 far 10 97 10 - 4.7-28.9 HA LYS 36 - HG3 LYS 26 far 9 60 15 - 4.9-27.4 HA LYS 19 - HG3 LYS 31 far 9 57 15 - 5.5-23.5 HA TYR 76 - HG2 LYS 36 far 8 76 10 - 6.7-16.3 HA LYS 26 - HG2 LYS 24 poor 7 61 35 35 4.2-10.1 ~6255=4, ~6254=4...(15) HA ARG 23 - HG2 LYS 19 far 7 49 15 - 6.4-16.2 HA ALA 15 - HG3 LYS 31 far 6 64 10 - 5.0-26.0 HA ALA 16 - HG3 LYS 31 far 6 62 10 - 5.0-27.2 HA GLN 61 - HG3 LYS 26 far 6 59 10 - 2.5-25.1 HA ALA 21 - HG2 LYS 24 lone 5 67 55 14 2.3-10.7 3.6/842=10 HA THR 18 - HG2 LYS 36 far 5 100 5 - 4.1-34.5 HA THR 25 - HG2 LYS 36 far 5 99 5 - 7.3-23.3 HA ALA 16 - HG2 LYS 36 far 5 99 5 - 6.5-33.7 HA LYS 19 - HG2 LYS 36 far 5 95 5 - 6.5-33.1 HA LYS 31 - HG2 LYS 36 far 5 93 5 - 7.1-11.7 HA LYS 36 - HG2 LYS 24 far 4 74 5 - 7.0-29.4 HA ALA 15 - HG2 LYS 24 far 4 72 5 - 6.3-22.5 HA GLN 61 - HG2 LYS 24 far 4 72 5 - 6.9-23.9 HA ALA 108 - HG2 LYS 24 far 4 71 5 - 5.9-39.9 HA ALA 109 - HG2 LYS 24 far 4 71 5 - 7.0-42.1 HA LYS 36 - HG3 LYS 31 far 3 65 5 - 5.9-16.7 HA ALA 12 - HG3 LYS 31 far 3 65 5 - 7.2-27.9 HA LYS 31 - HG2 LYS 24 far 3 64 5 - 6.7-19.6 HA ALA 109 - HG3 LYS 26 far 3 58 5 - 6.0-34.4 HA ALA 110 - HG2 LYS 19 far 3 50 5 - 6.6-54.1 HA THR 25 - HG2 LYS 19 far 2 49 5 - 6.5-20.7 HA ALA 21 - HG2 LYS 19 far 2 45 5 - 7.0-10.1 HA LYS 31 - HG2 LYS 19 far 2 43 5 - 4.9-26.6 HA LYS 26 - HG2 LYS 19 far 2 40 5 - 6.3-22.3 HA LEU 22 - HG2 LYS 19 far 2 37 5 - 6.4-12.3 HA ALA 15 - HG2 LYS 19 lone 1 49 45 3 2.8-13.4 HA LYS 26 - HG2 LYS 36 far 0 90 0 - 7.4-22.3 HA LYS 36 - HG2 LYS 19 far 0 50 0 - 7.5-37.3 HA ALA 108 - HG3 LYS 26 far 0 58 0 - 7.5-32.5 HA GLN 61 - HG3 LYS 31 far 0 64 0 - 7.6-22.6 HA ALA 15 - HG3 LYS 26 far 0 59 0 - 7.7-25.9 HA ALA 110 - HG3 LYS 26 far 0 60 0 - 7.7-35.7 HA LEU 22 - HG3 LYS 31 far 0 48 0 - 7.8-18.5 HA ALA 21 - HG3 LYS 26 far 0 54 0 - 7.8-15.9 HA ALA 108 - HG3 LYS 31 far 0 62 0 - 7.9-31.1 HA ALA 109 - HG2 LYS 19 far 0 48 0 - 7.9-53.1 HA LYS 19 - HG3 LYS 26 far 0 52 0 - 8.0-21.2 HA ALA 15 - HG2 LYS 36 far 0 100 0 - 8.0-30.5 HA ALA 16 - HG2 LYS 24 far 0 70 0 - 8.0-20.4 HA ALA 12 - HG2 LYS 24 far 0 74 0 - 8.0-22.3 HA ARG 23 - HG2 LYS 36 far 0 99 0 - 8.2-26.0 HA SER 74 - HG3 LYS 31 far 0 64 0 - 8.3-24.6 HA ALA 21 - HG3 LYS 31 far 0 59 0 - 8.3-20.2 HA LEU 22 - HG2 LYS 36 far 0 85 0 - 9.0-29.7 HA GLN 61 - HG2 LYS 19 far 0 49 0 - 9.1-33.2 HA GLN 61 - HG2 LYS 36 far 0 100 0 - 9.6-21.9 HA ALA 108 - HG2 LYS 19 far 0 48 0 - 9.6-51.1 HA ALA 110 - HG2 LYS 24 far 0 74 0 - 9.8-43.7 HA ALA 16 - HG3 LYS 26 far 0 57 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 1008 from aliabs.peaks (1.82, 1.38, 24.92 ppm; 5.20 A): 12 out of 38 assignments used, quality = 1.00: * HB2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 24 + HG2 LYS 24 OK 73 73 100 100 2.3-3.0 2.9=100 HB3 LYS 31 + HG3 LYS 31 OK 64 64 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.3-3.0 3.0=100 HB ILE 32 + HG2 LYS 36 OK 60 99 60 100 3.5-7.7 2.1/10900=62, ~10901=60...(57) HB3 LYS 19 + HG2 LYS 19 OK 46 46 100 100 2.5-3.0 3.0=100 HB3 ARG 23 + HG2 LYS 24 OK 40 74 60 91 5.3-7.8 4.2/6222=79, 6204/832=11...(18) HB3 LYS 31 + HG3 LYS 26 OK 29 59 50 99 2.2-16.3 1.8/804=9, ~628=8...(175) HB3 LYS 26 + HG3 LYS 31 OK 26 65 40 99 3.3-14.9 989/1.8=7, ~823=7...(172) HB ILE 32 + HG3 LYS 31 OK 23 63 40 91 4.7-8.2 895/6346=24...(46) HB3 ARG 23 + HG3 LYS 26 OK 23 60 45 85 2.7-12.0 3.7/10729=62, 442/6253=8...(45) HB ILE 32 + HG3 LYS 26 OK 22 58 40 93 3.9-17.4 ~892=13, ~892=12...(61) HB3 LYS 19 - HG2 LYS 24 poor 19 69 30 94 2.0-15.9 3.0/793=5, ~823=5...(126) HB3 LYS 24 - HG3 LYS 26 poor 18 60 30 - 5.4-11.5 HB3 LYS 24 - HG2 LYS 19 poor 12 50 25 - 3.4-16.0 HB2 LYS 36 - HG3 LYS 26 poor 12 60 20 - 4.6-27.1 HB3 LYS 24 - HG2 LYS 36 far 10 100 10 - 4.9-26.5 HB3 ARG 23 - HG3 LYS 31 far 10 65 15 - 4.3-17.8 HB3 LYS 24 - HG3 LYS 31 far 10 64 15 - 4.8-17.7 HB3 LYS 26 - HG2 LYS 24 far 7 74 10 - 2.9-11.3 HB3 LYS 31 - HG2 LYS 24 far 7 72 10 - 5.1-19.1 HB3 LYS 19 - HG3 LYS 31 far 6 60 10 - 3.7-24.3 HB3 LYS 31 - HG2 LYS 19 far 5 49 10 - 4.7-26.5 HB2 LYS 36 - HG2 LYS 24 far 4 74 5 - 5.6-29.5 HB2 LYS 36 - HG3 LYS 31 far 3 65 5 - 3.8-16.2 HB3 LYS 26 - HG2 LYS 19 far 3 50 5 - 6.0-24.6 HB3 ARG 23 - HG2 LYS 36 far 0 100 0 - 6.8-24.3 HB3 LYS 26 - HG2 LYS 36 far 0 100 0 - 6.8-22.9 HB3 LYS 19 - HG3 LYS 26 far 0 55 0 - 7.1-21.9 HB ILE 32 - HG2 LYS 24 far 0 72 0 - 7.5-20.3 HB3 LYS 31 - HG2 LYS 36 far 0 100 0 - 7.5-13.3 HB3 LYS 19 - HG2 LYS 36 far 0 97 0 - 8.2-32.7 HB3 ARG 23 - HG2 LYS 19 far 0 50 0 - 8.4-16.3 HB2 CYS 79 - HG2 LYS 36 far 0 95 0 - 8.7-18.1 HB2 CYS 79 - HG2 LYS 19 far 0 44 0 - 8.9-38.4 HB3 LEU 122 - HG2 LYS 24 far 0 41 0 - 9.0-29.6 HB2 LYS 36 - HG2 LYS 19 far 0 50 0 - 9.5-36.6 HB3 LEU 103 - HG3 LYS 26 far 0 37 0 - 9.7-24.9 Violated in 0 structures by 0.00 A. Peak 1009 from aliabs.peaks (1.88, 1.38, 24.92 ppm; 4.98 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LYS 36 - HG3 LYS 26 far 9 60 15 - 4.5-26.3 HB3 LYS 36 - HG2 LYS 24 far 4 74 5 - 4.8-28.3 HB3 LYS 36 - HG3 LYS 31 far 3 65 5 - 5.0-15.8 HB2 GLU 40 - HG2 LYS 24 far 3 62 5 - 3.3-31.8 HB3 LEU 48 - HG3 LYS 26 far 3 55 5 - 5.5-26.8 HB3 LEU 48 - HG2 LYS 19 far 0 46 0 - 6.9-36.2 HB2 GLU 40 - HG2 LYS 36 far 0 92 0 - 7.0-15.5 HB3 LEU 48 - HG2 LYS 24 far 0 69 0 - 7.0-28.9 HB3 LEU 48 - HG3 LYS 31 far 0 60 0 - 7.9-24.7 HB3 LYS 36 - HG2 LYS 19 far 0 50 0 - 8.0-35.6 HB2 GLU 40 - HG3 LYS 26 far 0 50 0 - 8.4-31.0 HB3 LEU 48 - HG2 LYS 36 far 0 97 0 - 8.8-18.6 HB2 GLU 40 - HG3 LYS 31 far 0 54 0 - 9.1-25.2 HB3 LEU 119 - HG2 LYS 24 far 0 67 0 - 9.9-32.0 Violated in 0 structures by 0.00 A. Peak 1010 from aliabs.peaks (1.38, 1.38, 24.92 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 73 73 - 100 HG3 LYS 31 + HG3 LYS 31 OK 64 64 - 100 HG3 LYS 26 + HG3 LYS 26 OK 60 60 - 100 HG2 LYS 19 + HG2 LYS 19 OK 46 46 - 100 Peak 1011 from aliabs.peaks (1.46, 1.38, 24.92 ppm; 2.51 A): 5 out of 30 assignments used, quality = 1.00: * HG3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 67 67 100 100 1.8-1.8 1.8=100 HG2 LYS 31 + HG3 LYS 31 OK 65 65 100 100 1.8-1.8 1.8=100 HG3 LYS 19 + HG2 LYS 19 OK 34 34 100 100 1.8-1.8 1.8=100 HG2 LYS 26 + HG3 LYS 26 OK 31 31 100 100 1.8-1.8 1.8=100 HG2 LYS 31 - HG3 LYS 26 far 3 60 5 - 3.8-16.9 HG3 LYS 24 - HG2 LYS 19 far 2 45 5 - 2.1-17.9 HG3 LYS 36 - HG3 LYS 31 far 0 65 0 - 4.1-14.2 HG3 LYS 19 - HG2 LYS 24 far 0 52 0 - 4.1-17.9 HG3 LYS 24 - HG3 LYS 26 far 0 54 0 - 4.4-11.5 HG LEU 42 - HG2 LYS 36 far 0 63 0 - 4.4-13.5 HG3 LYS 19 - HG3 LYS 31 far 0 45 0 - 4.5-25.5 HG2 LYS 26 - HG3 LYS 31 far 0 34 0 - 4.7-16.4 HG2 LYS 26 - HG2 LYS 24 far 0 39 0 - 4.7-11.2 HG3 LYS 36 - HG2 LYS 24 far 0 74 0 - 5.4-28.0 HG2 LYS 31 - HG2 LYS 24 far 0 74 0 - 5.6-17.7 HG2 LYS 31 - HG2 LYS 19 far 0 50 0 - 5.6-25.5 HG3 LYS 24 - HG3 LYS 31 far 0 59 0 - 5.7-17.0 HG3 LYS 24 - HG2 LYS 36 far 0 97 0 - 6.1-25.7 QB ALA 52 - HG3 LYS 26 far 0 42 0 - 6.1-22.8 HG3 LYS 36 - HG3 LYS 26 far 0 60 0 - 6.2-25.2 HG2 LYS 31 - HG2 LYS 36 far 0 100 0 - 6.3-14.0 HG2 LYS 26 - HG2 LYS 36 far 0 63 0 - 6.3-25.0 QB ALA 52 - HG2 LYS 24 far 0 52 0 - 6.5-23.2 HG3 LYS 19 - HG3 LYS 26 far 0 42 0 - 7.8-23.7 QB ALA 52 - HG2 LYS 19 far 0 34 0 - 7.9-29.5 HG3 LYS 36 - HG2 LYS 19 far 0 50 0 - 8.0-34.6 HG3 LYS 19 - HG2 LYS 36 far 0 81 0 - 8.2-34.3 QB ALA 52 - HG3 LYS 31 far 0 45 0 - 8.5-22.6 HG2 LYS 26 - HG2 LYS 19 far 0 25 0 - 8.7-25.7 Violated in 0 structures by 0.00 A. Peak 1012 from aliabs.peaks (1.66, 1.38, 24.92 ppm; 4.85 A): 11 out of 58 assignments used, quality = 1.00: * HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 74 74 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 64 64 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 62 62 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.2-2.9 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 44 44 100 100 2.5-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 43 43 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 31 OK 26 65 40 99 3.0-16.8 6336/5.0=5, 3.5/620=5...(206) HD3 LYS 24 - HG2 LYS 19 poor 19 47 40 - 2.7-16.9 HD2 LYS 19 - HG2 LYS 24 poor 17 66 25 - 3.2-16.1 HD2 LYS 26 - HG3 LYS 31 poor 16 64 25 - 4.8-17.0 HD3 LYS 19 - HG2 LYS 24 poor 16 64 25 - 2.1-17.8 HD2 LYS 31 - HG3 LYS 26 poor 14 58 25 - 3.6-15.7 HD2 LYS 24 - HG2 LYS 19 poor 13 50 25 - 3.0-17.8 HD3 LYS 31 - HG3 LYS 26 poor 12 59 20 - 3.4-15.4 HD3 LYS 24 - HG3 LYS 26 poor 11 56 20 - 3.7-11.0 HD2 LYS 36 - HG3 LYS 31 far 10 65 15 - 4.8-13.4 HD3 LYS 36 - HG3 LYS 31 far 6 65 10 - 4.6-13.4 HD2 LYS 36 - HG3 LYS 26 far 6 60 10 - 4.8-22.9 HD2 LYS 24 - HG3 LYS 26 far 6 60 10 - 5.3-11.0 HD3 LYS 36 - HG3 LYS 26 far 6 60 10 - 5.9-23.8 HD3 LYS 26 - HG2 LYS 36 far 5 100 5 - 5.1-24.7 HD2 LYS 26 - HG2 LYS 36 far 5 100 5 - 5.9-25.5 HD2 LYS 31 - HG2 LYS 36 far 5 99 5 - 6.2-13.5 HD3 LYS 26 - HG2 LYS 24 far 4 74 5 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 4 74 5 - 5.3-25.5 HD2 LYS 26 - HG2 LYS 24 far 4 73 5 - 5.8-11.1 HD2 LYS 24 - HG3 LYS 31 far 3 65 5 - 6.0-16.9 HB2 LEU 98 - HG2 LYS 24 far 3 61 5 - 4.9-36.4 HD3 LYS 24 - HG3 LYS 31 far 3 61 5 - 5.9-16.5 HD2 LYS 19 - HG3 LYS 31 far 3 58 5 - 4.6-25.3 HD3 LYS 19 - HG3 LYS 31 far 3 56 5 - 4.1-26.6 HD3 LYS 36 - HG2 LYS 24 far 0 74 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 100 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 49 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 100 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 48 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 73 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 71 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 96 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 59 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 50 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 50 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 58 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 98 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 73 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 50 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 70 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 85 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 51 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 53 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 96 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 47 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 50 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 39 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 1013 from aliabs.peaks (1.66, 1.38, 24.92 ppm; 4.86 A): 11 out of 58 assignments used, quality = 1.00: * HD3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 74 74 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG2 LYS 24 OK 70 70 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG3 LYS 31 OK 64 64 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG3 LYS 31 OK 63 63 100 100 2.2-3.0 2.9=100 HD3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.2-3.0 2.9=100 HD2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.2-2.9 2.9=100 HD2 LYS 19 + HG2 LYS 19 OK 45 45 100 100 2.5-3.0 3.0=100 HD3 LYS 19 + HG2 LYS 19 OK 44 44 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HG3 LYS 31 OK 26 65 40 99 3.0-16.8 6336/5.0=5, 3.5/620=5...(206) HD3 LYS 24 - HG2 LYS 19 poor 19 48 40 - 2.7-16.9 HD2 LYS 19 - HG2 LYS 24 poor 17 67 25 - 3.2-16.1 HD3 LYS 19 - HG2 LYS 24 poor 16 65 25 - 2.1-17.8 HD2 LYS 26 - HG3 LYS 31 poor 16 65 25 - 4.8-17.0 HD2 LYS 31 - HG3 LYS 26 poor 15 58 25 - 3.6-15.7 HD2 LYS 24 - HG2 LYS 19 poor 13 50 25 - 3.0-17.8 HD3 LYS 31 - HG3 LYS 26 poor 12 60 20 - 3.4-15.4 HD3 LYS 24 - HG3 LYS 26 poor 11 57 20 - 3.7-11.0 HD2 LYS 36 - HG3 LYS 31 far 10 65 15 - 4.8-13.4 HD3 LYS 36 - HG3 LYS 31 far 6 65 10 - 4.6-13.4 HD2 LYS 36 - HG3 LYS 26 far 6 60 10 - 4.8-22.9 HD2 LYS 24 - HG3 LYS 26 far 6 60 10 - 5.3-11.0 HD3 LYS 36 - HG3 LYS 26 far 6 60 10 - 5.9-23.8 HD3 LYS 26 - HG2 LYS 36 far 5 100 5 - 5.1-24.7 HD2 LYS 26 - HG2 LYS 36 far 5 100 5 - 5.9-25.5 HD2 LYS 31 - HG2 LYS 36 far 5 99 5 - 6.2-13.5 HD3 LYS 26 - HG2 LYS 24 far 4 74 5 - 5.2-11.4 HD2 LYS 36 - HG2 LYS 24 far 4 74 5 - 5.3-25.5 HD2 LYS 26 - HG2 LYS 24 far 4 74 5 - 5.8-11.1 HD2 LYS 24 - HG3 LYS 31 far 3 65 5 - 6.0-16.9 HB2 LEU 98 - HG2 LYS 24 far 3 62 5 - 4.9-36.4 HD3 LYS 24 - HG3 LYS 31 far 3 62 5 - 5.9-16.5 HD2 LYS 19 - HG3 LYS 31 far 3 59 5 - 4.6-25.3 HD3 LYS 19 - HG3 LYS 31 far 3 57 5 - 4.1-26.6 HD3 LYS 36 - HG2 LYS 24 far 0 74 0 - 6.6-25.9 HD3 LYS 31 - HG2 LYS 36 far 0 100 0 - 6.7-13.2 HB2 LEU 98 - HG3 LYS 26 far 0 50 0 - 6.9-29.4 HD2 LYS 24 - HG2 LYS 36 far 0 100 0 - 7.0-25.5 HD2 LYS 31 - HG2 LYS 19 far 0 49 0 - 7.0-24.4 HD3 LYS 31 - HG2 LYS 24 far 0 73 0 - 7.0-17.3 HD2 LYS 31 - HG2 LYS 24 far 0 72 0 - 7.0-16.7 HB2 LEU 69 - HG2 LYS 36 far 0 97 0 - 7.2-12.8 HD2 LYS 39 - HG2 LYS 24 far 0 58 0 - 7.3-32.7 HD3 LYS 31 - HG2 LYS 19 far 0 50 0 - 7.3-24.8 HD3 LYS 26 - HG2 LYS 19 far 0 50 0 - 7.8-23.7 HB2 LEU 69 - HG3 LYS 31 far 0 59 0 - 7.9-17.4 HD3 LYS 24 - HG2 LYS 36 far 0 99 0 - 8.1-26.2 HD3 LYS 95 - HG2 LYS 24 far 0 74 0 - 8.2-35.5 HD2 LYS 26 - HG2 LYS 19 far 0 50 0 - 8.4-23.4 HD2 LYS 95 - HG2 LYS 24 far 0 71 0 - 8.8-37.0 HG LEU 43 - HG2 LYS 36 far 0 87 0 - 9.0-15.2 HD3 LYS 19 - HG3 LYS 26 far 0 52 0 - 9.2-24.1 HD2 LYS 19 - HG3 LYS 26 far 0 54 0 - 9.3-22.3 HD2 LYS 19 - HG2 LYS 36 far 0 97 0 - 9.4-35.1 HG LEU 62 - HG3 LYS 26 far 0 49 0 - 9.4-23.3 HD3 LYS 36 - HG2 LYS 19 far 0 50 0 - 9.6-33.3 HG LEU 62 - HG2 LYS 19 far 0 40 0 - 10.0-38.2 Violated in 0 structures by 0.00 A. Peak 1014 from aliabs.peaks (2.96, 1.38, 24.92 ppm; 6.80 A): 19 out of 52 assignments used, quality = 1.00: HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 * HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 65 65 100 100 2.1-4.2 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 65 65 100 100 2.4-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 62 62 100 100 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.1-4.1 3.6=100 HE3 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.3-3.2 3.8=100 HE3 LYS 26 + HG2 LYS 36 OK 45 100 50 90 5.1-26.6 1004/3.0=14, ~1004=12...(74) HE2 LYS 26 + HG2 LYS 36 OK 41 100 45 91 5.0-27.0 1004/3.0=15, ~1004=11...(79) HE2 LYS 26 + HG3 LYS 31 OK 32 65 50 99 4.3-18.5 6338/5.0=8, 2634/3.0=6...(186) HE2 LYS 31 + HG3 LYS 26 OK 32 60 55 96 5.0-15.0 4.8/804=8, 4.8/988=6...(157) HE3 LYS 31 + HG3 LYS 26 OK 28 58 50 97 5.8-14.5 4.8/804=8, 4.8/988=6...(157) HE3 LYS 26 + HG3 LYS 31 OK 26 65 40 99 4.8-18.3 6338/5.0=8, 4.8/620=5...(187) HE2 LYS 19 + HG2 LYS 24 OK 22 73 35 86 4.3-16.8 6.4/793=4, 5.1/835=3...(92) HE3 LYS 19 + HG2 LYS 24 OK 22 73 35 84 3.6-18.0 6.4/793=4, 5.1/835=3...(91) HE3 LYS 24 + HG2 LYS 19 OK 21 44 50 96 3.9-19.3 2634/3.0=5, 11770/4.2=4...(169) HE3 LYS 31 - HG2 LYS 36 poor 20 99 20 - 5.1-14.9 HE2 LYS 24 - HG2 LYS 19 poor 19 48 40 - 2.9-18.6 HB2 CYS 45 - HG2 LYS 36 poor 18 71 75 34 4.8-12.0 9143/11124=16...(6) HE2 LYS 24 - HG3 LYS 26 poor 17 58 30 - 5.0-12.3 HE2 LYS 36 - HG3 LYS 31 poor 16 65 25 - 4.3-14.3 HE3 LYS 24 - HG3 LYS 26 poor 16 52 30 - 5.5-12.7 HE3 LYS 19 - HG3 LYS 31 far 10 64 15 - 6.4-26.3 HE2 LYS 24 - HG3 LYS 31 far 9 62 15 - 4.1-18.0 HE3 LYS 36 - HG3 LYS 31 poor 9 65 40 34 4.5-14.3 6337/5.0=4, 2634/3.0=1...(4) HE3 LYS 36 - HG3 LYS 26 poor 7 60 50 23 4.4-24.9 9008/10704=2 HE3 LYS 31 - HG2 LYS 24 far 7 71 10 - 6.8-19.4 HE2 LYS 36 - HG3 LYS 26 poor 7 60 40 28 4.6-24.5 9008/10704=2 HE3 LYS 26 - HG2 LYS 24 poor 7 74 30 31 5.4-12.1 9587/11150=6, 7.1/512=2 HE2 LYS 26 - HG2 LYS 24 poor 6 74 35 25 5.9-12.0 9587/11150=4, 7.1/512=2 HE2 LYS 19 - HG3 LYS 31 far 6 64 10 - 6.7-25.4 HE3 LYS 24 - HG3 LYS 31 far 6 57 10 - 5.2-18.7 HE2 LYS 31 - HG2 LYS 19 far 5 50 10 - 7.3-26.4 HE2 LYS 24 - HG2 LYS 36 far 5 99 5 - 6.3-27.7 HE3 LYS 24 - HG2 LYS 36 far 5 95 5 - 8.0-27.5 HE2 LYS 36 - HG2 LYS 24 far 4 74 5 - 4.2-26.3 HE3 LYS 36 - HG2 LYS 24 far 4 74 5 - 5.7-27.3 HE2 LYS 31 - HG2 LYS 24 far 4 74 5 - 7.5-19.4 HE2 LYS 31 - HG2 LYS 36 lone 3 100 25 14 5.3-13.7 10721/10900=6, 9008/10704=2 HB3 ASN 121 - HG2 LYS 24 far 3 59 5 - 7.3-33.8 HE3 LYS 31 - HG2 LYS 19 far 2 48 5 - 6.5-27.2 HB2 CYS 45 - HG2 LYS 24 far 2 45 5 - 8.1-24.2 HB3 ASN 116 - HG2 LYS 24 far 2 41 5 - 5.9-34.7 HB2 CYS 45 - HG3 LYS 31 far 2 39 5 - 8.0-19.3 HB2 CYS 45 - HG3 LYS 26 far 2 35 5 - 7.7-25.0 HE3 LYS 36 - HG2 LYS 19 far 0 50 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 50 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 100 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 100 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 1015 from aliabs.peaks (2.96, 1.38, 24.92 ppm; 6.80 A): 19 out of 52 assignments used, quality = 1.00: * HE3 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HE2 LYS 36 + HG2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 71 71 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG2 LYS 24 OK 65 65 100 100 2.1-4.2 4.0=100 HE2 LYS 31 + HG3 LYS 31 OK 65 65 100 100 2.4-4.2 3.7=100 HE3 LYS 31 + HG3 LYS 31 OK 62 62 100 100 2.0-4.2 3.7=100 HE2 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.0-3.5 3.6=100 HE3 LYS 26 + HG3 LYS 26 OK 60 60 100 100 2.1-4.1 3.6=100 HE3 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.0-2.8 3.8=100 HE2 LYS 19 + HG2 LYS 19 OK 50 50 100 100 2.3-3.2 3.8=100 HE3 LYS 26 + HG2 LYS 36 OK 45 100 50 90 5.1-26.6 1004/3.0=14, ~1004=12...(74) HE2 LYS 26 + HG2 LYS 36 OK 41 100 45 91 5.0-27.0 1004/3.0=15, ~1004=11...(79) HE2 LYS 26 + HG3 LYS 31 OK 32 65 50 99 4.3-18.5 6338/5.0=8, 2634/3.0=6...(186) HE2 LYS 31 + HG3 LYS 26 OK 32 60 55 96 5.0-15.0 4.8/804=8, 4.8/988=6...(157) HE3 LYS 31 + HG3 LYS 26 OK 28 58 50 97 5.8-14.5 4.8/804=8, 4.8/988=6...(157) HE3 LYS 26 + HG3 LYS 31 OK 26 65 40 99 4.8-18.3 6338/5.0=8, 4.8/620=5...(187) HE2 LYS 19 + HG2 LYS 24 OK 22 73 35 86 4.3-16.8 6.4/793=4, 5.1/835=3...(92) HE3 LYS 19 + HG2 LYS 24 OK 22 73 35 84 3.6-18.0 6.4/793=4, 5.1/835=3...(91) HE3 LYS 24 + HG2 LYS 19 OK 21 44 50 96 3.9-19.3 2634/3.0=5, 11770/4.2=4...(169) HE3 LYS 31 - HG2 LYS 36 poor 20 99 20 - 5.1-14.9 HE2 LYS 24 - HG2 LYS 19 poor 19 48 40 - 2.9-18.6 HB2 CYS 45 - HG2 LYS 36 poor 18 71 75 34 4.8-12.0 9143/11124=16...(6) HE2 LYS 24 - HG3 LYS 26 poor 17 58 30 - 5.0-12.3 HE2 LYS 36 - HG3 LYS 31 poor 16 65 25 - 4.3-14.3 HE3 LYS 24 - HG3 LYS 26 poor 16 52 30 - 5.5-12.7 HE3 LYS 19 - HG3 LYS 31 far 10 64 15 - 6.4-26.3 HE2 LYS 24 - HG3 LYS 31 far 9 62 15 - 4.1-18.0 HE3 LYS 36 - HG3 LYS 31 poor 9 65 40 34 4.5-14.3 6337/5.0=4, 2634/3.0=1...(4) HE3 LYS 36 - HG3 LYS 26 poor 7 60 50 23 4.4-24.9 9008/10704=2 HE3 LYS 31 - HG2 LYS 24 far 7 71 10 - 6.8-19.4 HE2 LYS 36 - HG3 LYS 26 poor 7 60 40 28 4.6-24.5 9008/10704=2 HE3 LYS 26 - HG2 LYS 24 poor 7 74 30 31 5.4-12.1 9587/11150=6, 7.1/512=2 HE2 LYS 26 - HG2 LYS 24 poor 6 74 35 25 5.9-12.0 9587/11150=4, 7.1/512=2 HE2 LYS 19 - HG3 LYS 31 far 6 64 10 - 6.7-25.4 HE3 LYS 24 - HG3 LYS 31 far 6 57 10 - 5.2-18.7 HE2 LYS 31 - HG2 LYS 19 far 5 50 10 - 7.3-26.4 HE2 LYS 24 - HG2 LYS 36 far 5 99 5 - 6.3-27.7 HE3 LYS 24 - HG2 LYS 36 far 5 95 5 - 8.0-27.5 HE2 LYS 36 - HG2 LYS 24 far 4 74 5 - 4.2-26.3 HE3 LYS 36 - HG2 LYS 24 far 4 74 5 - 5.7-27.3 HE2 LYS 31 - HG2 LYS 24 far 4 74 5 - 7.5-19.4 HE2 LYS 31 - HG2 LYS 36 lone 3 100 25 14 5.3-13.7 10721/10900=6, 9008/10704=2 HB3 ASN 121 - HG2 LYS 24 far 3 59 5 - 7.3-33.8 HE3 LYS 31 - HG2 LYS 19 far 2 48 5 - 6.5-27.2 HB2 CYS 45 - HG2 LYS 24 far 2 45 5 - 8.1-24.2 HB3 ASN 116 - HG2 LYS 24 far 2 41 5 - 5.9-34.7 HB2 CYS 45 - HG3 LYS 31 far 2 39 5 - 8.0-19.3 HB2 CYS 45 - HG3 LYS 26 far 2 35 5 - 7.7-25.0 HE3 LYS 36 - HG2 LYS 19 far 0 50 0 - 8.5-33.7 HE2 LYS 26 - HG2 LYS 19 far 0 50 0 - 8.8-26.0 HE2 LYS 19 - HG2 LYS 36 far 0 100 0 - 8.9-36.8 HE3 LYS 19 - HG2 LYS 36 far 0 100 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 1018 from aliabs.peaks (4.28, 1.46, 24.92 ppm; 5.47 A): 7 out of 47 assignments used, quality = 1.00: * HA LYS 36 + HG3 LYS 36 OK 100 100 100 100 3.0-4.2 4.1=100 HA LYS 31 + HG2 LYS 31 OK 58 58 100 100 2.1-4.2 3.8=100 HA THR 25 + HG3 LYS 24 OK 57 60 95 100 3.0-7.0 ~6234=55, ~6233=51...(30) HA ARG 23 + HG3 LYS 24 OK 54 60 95 95 4.1-7.1 424/6223=87...(17) HA PHE 87 + HG3 LYS 86 OK 43 43 100 100 2.8-6.6 ~7157=57, ~7156=57...(26) HA LYS 26 + HG2 LYS 31 OK 26 55 50 95 3.2-15.5 790/3.0=9, 3.0/1019=7...(128) HA LEU 22 + HG3 LYS 24 OK 25 46 90 60 4.0-9.2 6212/6223=18...(10) HA LYS 31 - HG3 LYS 36 poor 19 93 20 - 5.5-12.3 HA LYS 19 - HG3 LYS 24 poor 18 54 40 84 1.9-15.2 792=6, 793/1.8=6...(96) HA THR 25 - HG2 LYS 31 poor 16 65 25 - 2.1-16.1 HA THR 18 - HG3 LYS 24 poor 15 61 25 - 3.7-15.7 HA ARG 23 - HG2 LYS 31 poor 13 65 20 - 3.9-16.8 HA THR 18 - HG2 LYS 31 far 7 67 10 - 2.4-23.7 HA ALA 16 - HG2 LYS 31 far 6 64 10 - 4.0-28.1 HA ALA 15 - HG3 LYS 24 far 6 60 10 - 5.0-22.0 HA LYS 19 - HG2 LYS 31 far 6 59 10 - 5.8-24.5 HA LYS 26 - HG3 LYS 24 far 5 50 10 - 5.5-9.6 HA THR 18 - HG3 LYS 36 far 5 100 5 - 5.3-34.6 HA ARG 23 - HG3 LYS 36 far 5 99 5 - 6.5-26.4 HA THR 25 - HG3 LYS 36 far 5 99 5 - 6.5-24.0 HA ALA 21 - HG3 LYS 36 far 5 97 5 - 3.3-29.1 HA LYS 19 - HG3 LYS 36 far 5 95 5 - 6.6-33.2 HA LYS 26 - HG3 LYS 36 far 5 90 5 - 5.8-22.9 HA LYS 36 - HG2 LYS 31 far 3 67 5 - 5.4-17.1 HA ALA 15 - HG2 LYS 31 far 3 66 5 - 3.6-24.5 HA LYS 36 - HG3 LYS 24 far 3 62 5 - 6.7-27.7 HA ALA 21 - HG3 LYS 24 lone 3 56 45 12 2.9-11.0 3.6/831=9 HA ALA 108 - HG3 LYS 24 far 3 59 5 - 5.6-39.9 HA LYS 31 - HG3 LYS 24 far 3 53 5 - 6.1-18.0 HA ALA 16 - HG3 LYS 24 far 0 59 0 - 7.1-19.8 HA TYR 76 - HG3 LYS 36 far 0 76 0 - 7.3-18.1 HA TYR 76 - HG3 LYS 86 far 0 32 0 - 7.3-11.7 HA ALA 16 - HG3 LYS 36 far 0 99 0 - 7.4-33.4 HA ALA 109 - HG3 LYS 24 far 0 59 0 - 7.6-42.1 HA ALA 12 - HG2 LYS 31 far 0 67 0 - 7.9-26.4 HA ALA 21 - HG2 LYS 31 far 0 61 0 - 7.9-21.0 HA ALA 15 - HG3 LYS 36 far 0 100 0 - 8.0-30.2 HA LEU 22 - HG3 LYS 36 far 0 85 0 - 8.0-30.1 HA GLN 61 - HG2 LYS 31 far 0 66 0 - 8.3-22.4 HA SER 74 - HG3 LYS 86 far 0 50 0 - 8.4-11.6 HA LEU 22 - HG2 LYS 31 far 0 50 0 - 8.4-19.0 HA GLN 61 - HG3 LYS 24 far 0 60 0 - 8.6-24.5 HA ALA 12 - HG3 LYS 24 far 0 62 0 - 8.7-22.6 HA GLN 61 - HG3 LYS 36 far 0 100 0 - 9.2-21.3 HA ALA 108 - HG2 LYS 31 far 0 65 0 - 9.6-32.1 HA SER 74 - HG2 LYS 31 far 0 66 0 - 9.8-25.4 HA ALA 110 - HG3 LYS 24 far 0 62 0 - 9.8-43.9 Violated in 0 structures by 0.00 A. Peak 1019 from aliabs.peaks (1.82, 1.46, 24.92 ppm; 4.92 A): 6 out of 28 assignments used, quality = 1.00: * HB2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 31 + HG2 LYS 31 OK 66 66 100 100 2.2-3.0 3.0=100 HB ILE 32 + HG3 LYS 36 OK 65 99 65 100 1.9-8.0 2.1/10901=72, ~10810=49...(54) HB3 LYS 24 + HG3 LYS 24 OK 61 61 100 100 2.2-3.0 2.9=100 HB2 LYS 86 + HG3 LYS 86 OK 32 32 100 100 2.2-3.0 3.0=100 HB3 LYS 26 + HG2 LYS 31 OK 30 67 45 99 3.6-16.1 989=7, ~834=6, 620/1.8=6...(166) HB3 LYS 19 - HG3 LYS 24 poor 20 57 35 - 2.0-15.5 HB3 ARG 23 - HG2 LYS 31 poor 13 67 20 - 4.4-18.6 HB3 LYS 31 - HG3 LYS 36 far 10 100 10 - 6.0-13.7 HB3 LYS 24 - HG3 LYS 36 far 5 100 5 - 3.5-27.2 HB3 LYS 26 - HG3 LYS 36 far 5 100 5 - 5.1-23.3 HB3 ARG 23 - HG3 LYS 36 far 5 100 5 - 5.8-24.6 HB2 LYS 36 - HG2 LYS 31 far 3 67 5 - 3.7-16.4 HB3 LYS 24 - HG2 LYS 31 far 3 67 5 - 4.5-18.4 HB ILE 32 - HG2 LYS 31 far 3 65 5 - 6.4-8.5 HB3 LYS 19 - HG2 LYS 31 far 3 62 5 - 4.2-25.3 HB3 LYS 26 - HG3 LYS 24 far 3 62 5 - 3.6-11.7 HB2 LYS 36 - HG3 LYS 24 far 3 62 5 - 5.5-27.7 HB3 ARG 23 - HG3 LYS 24 far 3 62 5 - 6.1-8.0 HB3 LYS 31 - HG3 LYS 24 far 3 60 5 - 5.0-17.6 HB ILE 32 - HG3 LYS 24 far 0 60 0 - 6.8-18.6 HB2 ARG 84 - HG3 LYS 86 far 0 48 0 - 7.0-9.6 HB2 CYS 79 - HG3 LYS 86 far 0 44 0 - 7.1-11.2 HB3 ARG 135 - HG3 LYS 86 far 0 50 0 - 7.5-13.0 HB VAL 93 - HG3 LYS 86 far 0 45 0 - 7.8-10.5 HB3 LEU 122 - HG3 LYS 24 far 0 33 0 - 7.8-29.5 HB3 LYS 19 - HG3 LYS 36 far 0 97 0 - 8.3-32.7 HB2 CYS 79 - HG3 LYS 36 far 0 95 0 - 9.9-19.8 Violated in 0 structures by 0.00 A. Peak 1020 from aliabs.peaks (1.88, 1.46, 24.92 ppm; 4.84 A): 1 out of 13 assignments used, quality = 1.00: * HB3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 90 - HG3 LYS 86 poor 17 24 70 - 4.4-9.1 HB3 LYS 36 - HG2 LYS 31 far 3 67 5 - 5.0-15.9 HB3 LYS 36 - HG3 LYS 24 far 3 62 5 - 4.5-26.6 HB3 LEU 48 - HG3 LYS 24 far 3 57 5 - 5.4-27.5 HB2 GLU 40 - HG3 LYS 24 far 3 51 5 - 4.9-30.2 HB3 ARG 84 - HG3 LYS 86 far 2 36 5 - 6.1-9.5 HB2 GLU 40 - HG3 LYS 36 far 0 92 0 - 6.9-15.9 HB2 ARG 135 - HG3 LYS 86 far 0 49 0 - 7.8-13.8 HB2 GLU 40 - HG2 LYS 31 far 0 56 0 - 7.8-25.7 HB3 LEU 48 - HG2 LYS 31 far 0 62 0 - 8.2-23.9 HB3 LEU 48 - HG3 LYS 36 far 0 97 0 - 8.5-18.6 HB3 LEU 119 - HG3 LYS 24 far 0 56 0 - 9.9-31.8 Violated in 0 structures by 0.00 A. Peak 1021 from aliabs.peaks (1.38, 1.46, 24.92 ppm; 2.50 A): 3 out of 37 assignments used, quality = 1.00: * HG2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 31 + HG2 LYS 31 OK 66 66 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 61 61 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 31 far 10 66 15 - 2.8-9.3 QB ALA 15 - HG2 LYS 31 far 3 67 5 - 2.6-22.0 HG3 LYS 26 - HG2 LYS 31 far 3 67 5 - 3.8-16.9 QB ALA 15 - HG3 LYS 24 far 3 62 5 - 2.8-17.3 QB ALA 108 - HG3 LYS 24 far 3 62 5 - 3.1-32.2 QB ALA 29 - HG3 LYS 24 far 3 62 5 - 3.5-13.3 QB ALA 28 - HG3 LYS 24 far 3 61 5 - 3.9-12.7 HG2 LYS 19 - HG3 LYS 24 far 3 57 5 - 2.1-17.9 HG3 LYS 31 - HG3 LYS 36 far 0 100 0 - 4.1-14.2 QB ALA 16 - HG2 LYS 31 far 0 61 0 - 4.4-24.2 HG3 LYS 26 - HG3 LYS 24 far 0 62 0 - 4.4-11.5 QB ALA 29 - HG2 LYS 31 far 0 67 0 - 4.5-9.2 QB ALA 16 - HG3 LYS 24 far 0 56 0 - 4.9-17.0 QB ALA 12 - HG2 LYS 31 far 0 47 0 - 5.1-21.9 HG3 LYS 95 - HG3 LYS 24 far 0 60 0 - 5.2-35.5 HG2 LYS 24 - HG3 LYS 36 far 0 100 0 - 5.4-28.0 HG2 LYS 24 - HG2 LYS 31 far 0 66 0 - 5.6-17.7 HG2 LYS 19 - HG2 LYS 31 far 0 62 0 - 5.6-25.5 HG3 LYS 31 - HG3 LYS 24 far 0 60 0 - 5.7-17.0 HG2 LYS 36 - HG3 LYS 24 far 0 62 0 - 6.1-25.7 HG3 LYS 26 - HG3 LYS 36 far 0 100 0 - 6.2-25.2 HG2 LYS 95 - HG3 LYS 24 far 0 59 0 - 6.2-35.3 QB ALA 29 - HG3 LYS 36 far 0 100 0 - 6.2-11.9 HG2 LYS 36 - HG2 LYS 31 far 0 67 0 - 6.3-14.0 QB ALA 12 - HG3 LYS 24 far 0 43 0 - 6.4-17.3 HB2 LEU 42 - HG3 LYS 36 far 0 99 0 - 6.5-12.2 QB ALA 15 - HG3 LYS 36 far 0 100 0 - 6.7-26.8 QB ALA 16 - HG3 LYS 36 far 0 97 0 - 6.7-26.7 QB ALA 109 - HG3 LYS 24 far 0 59 0 - 7.4-33.8 HG2 LYS 19 - HG3 LYS 36 far 0 97 0 - 8.0-34.6 QB ALA 28 - HG3 LYS 36 far 0 100 0 - 8.1-15.6 QB ALA 108 - HG2 LYS 31 far 0 67 0 - 8.8-25.8 QB ALA 12 - HG3 LYS 36 far 0 81 0 - 8.9-25.1 QB ALA 110 - HG3 LYS 24 far 0 62 0 - 9.6-37.0 Violated in 0 structures by 0.00 A. Peak 1022 from aliabs.peaks (1.46, 1.46, 24.92 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 HG2 LYS 31 + HG2 LYS 31 OK 67 67 - 100 HG3 LYS 24 + HG3 LYS 24 OK 56 56 - 100 HG3 LYS 86 + HG3 LYS 86 OK 39 39 - 100 Peak 1023 from aliabs.peaks (1.66, 1.46, 24.92 ppm; 4.25 A): 8 out of 43 assignments used, quality = 1.00: * HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 66 66 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.2-3.0 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 62 62 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 58 58 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 49 49 100 100 2.3-2.8 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 47 47 100 100 2.2-2.7 3.0=100 HD3 LYS 26 - HG2 LYS 31 poor 17 67 25 - 4.2-17.6 HD2 LYS 19 - HG3 LYS 24 poor 16 55 30 - 2.7-16.7 HD2 LYS 26 - HG3 LYS 36 far 15 100 15 - 5.1-26.0 HD3 LYS 19 - HG3 LYS 24 poor 13 53 25 - 2.0-17.8 HD2 LYS 26 - HG2 LYS 31 far 10 67 15 - 3.5-18.0 HD3 LYS 26 - HG3 LYS 36 far 10 100 10 - 3.6-25.1 HD2 LYS 24 - HG3 LYS 36 far 5 100 5 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 5 100 5 - 5.6-12.6 HD3 LYS 36 - HG2 LYS 31 far 3 67 5 - 5.3-13.7 HD2 LYS 24 - HG2 LYS 31 far 3 67 5 - 5.5-17.2 HD2 LYS 36 - HG3 LYS 24 far 3 62 5 - 5.1-23.7 HD2 LYS 19 - HG2 LYS 31 far 3 60 5 - 5.7-26.4 HD3 LYS 19 - HG2 LYS 31 far 3 58 5 - 5.6-27.7 HB2 LEU 98 - HG3 LYS 24 far 3 50 5 - 3.2-36.3 HD2 LYS 31 - HG3 LYS 36 far 0 99 0 - 5.8-13.8 HD3 LYS 26 - HG3 LYS 24 far 0 62 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 67 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 61 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 63 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 62 0 - 6.1-24.1 QB ALA 88 - HG3 LYS 86 far 0 50 0 - 6.2-7.8 HD3 LYS 24 - HG3 LYS 36 far 0 98 0 - 6.5-26.8 HD2 LYS 31 - HG3 LYS 24 far 0 59 0 - 6.7-17.1 HG2 ARG 84 - HG3 LYS 86 far 0 29 0 - 7.1-10.3 HB2 LEU 69 - HG3 LYS 36 far 0 96 0 - 7.2-13.2 HG3 ARG 84 - HG3 LYS 86 far 0 33 0 - 7.2-10.6 HB2 LEU 69 - HG2 LYS 31 far 0 60 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 61 0 - 7.8-36.0 HD3 LYS 31 - HG3 LYS 24 far 0 61 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 59 0 - 8.1-36.7 HD2 LYS 39 - HG3 LYS 24 far 0 49 0 - 8.9-32.2 HG LEU 43 - HG3 LYS 36 far 0 85 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 96 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 93 0 - 9.7-35.0 HD2 LYS 39 - HG3 LYS 86 far 0 39 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 1024 from aliabs.peaks (1.66, 1.46, 24.92 ppm; 4.26 A): 8 out of 43 assignments used, quality = 1.00: * HD3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 31 + HG2 LYS 31 OK 67 67 100 100 2.3-3.0 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.2-3.0 2.9=100 HD2 LYS 24 + HG3 LYS 24 OK 62 62 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HG3 LYS 24 OK 59 59 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 49 49 100 100 2.3-2.8 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 48 48 100 100 2.2-2.7 3.0=100 HD2 LYS 19 - HG3 LYS 24 poor 17 56 30 - 2.7-16.7 HD3 LYS 26 - HG2 LYS 31 poor 17 67 25 - 4.2-17.6 HD2 LYS 26 - HG3 LYS 36 far 15 100 15 - 5.1-26.0 HD3 LYS 19 - HG3 LYS 24 poor 13 54 25 - 2.0-17.8 HD2 LYS 26 - HG2 LYS 31 far 10 67 15 - 3.5-18.0 HD3 LYS 26 - HG3 LYS 36 far 10 100 10 - 3.6-25.1 HD2 LYS 24 - HG3 LYS 36 far 5 100 5 - 5.5-26.2 HD3 LYS 31 - HG3 LYS 36 far 5 100 5 - 5.6-12.6 HD3 LYS 36 - HG2 LYS 31 far 3 67 5 - 5.3-13.7 HD2 LYS 24 - HG2 LYS 31 far 3 67 5 - 5.5-17.2 HD2 LYS 36 - HG3 LYS 24 far 3 62 5 - 5.1-23.7 HD2 LYS 19 - HG2 LYS 31 far 3 61 5 - 5.7-26.4 HD3 LYS 19 - HG2 LYS 31 far 3 59 5 - 5.6-27.7 HB2 LEU 98 - HG3 LYS 24 far 3 51 5 - 3.2-36.3 HD2 LYS 31 - HG3 LYS 36 far 0 99 0 - 5.8-13.8 HD3 LYS 26 - HG3 LYS 24 far 0 62 0 - 5.9-11.9 HD2 LYS 36 - HG2 LYS 31 far 0 67 0 - 6.0-13.4 HD2 LYS 26 - HG3 LYS 24 far 0 62 0 - 6.0-12.8 HD3 LYS 24 - HG2 LYS 31 far 0 64 0 - 6.0-17.5 HD3 LYS 36 - HG3 LYS 24 far 0 62 0 - 6.1-24.1 QB ALA 88 - HG3 LYS 86 far 0 50 0 - 6.2-7.8 HD3 LYS 24 - HG3 LYS 36 far 0 99 0 - 6.5-26.8 HD2 LYS 31 - HG3 LYS 24 far 0 60 0 - 6.7-17.1 HG2 ARG 84 - HG3 LYS 86 far 0 30 0 - 7.1-10.3 HB2 LEU 69 - HG3 LYS 36 far 0 97 0 - 7.2-13.2 HG3 ARG 84 - HG3 LYS 86 far 0 34 0 - 7.2-10.6 HB2 LEU 69 - HG2 LYS 31 far 0 61 0 - 7.6-18.2 HD3 LYS 95 - HG3 LYS 24 far 0 62 0 - 7.8-36.0 HD3 LYS 31 - HG3 LYS 24 far 0 61 0 - 8.0-18.6 HD2 LYS 95 - HG3 LYS 24 far 0 59 0 - 8.1-36.7 HD2 LYS 39 - HG3 LYS 24 far 0 47 0 - 8.9-32.2 HG LEU 43 - HG3 LYS 36 far 0 87 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 97 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 95 0 - 9.7-35.0 HD2 LYS 39 - HG3 LYS 86 far 0 38 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 1025 from aliabs.peaks (2.96, 1.46, 24.92 ppm; 5.55 A): 9 out of 35 assignments used, quality = 1.00: * HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-4.1 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.5 4.0=100 HE2 LYS 31 + HG2 LYS 31 OK 67 67 100 100 2.3-4.1 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.1-4.2 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 59 59 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 54 54 100 100 2.2-4.2 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 49 49 100 100 3.3-3.7 3.7=100 HE2 LYS 26 + HG3 LYS 36 OK 28 100 35 81 4.5-27.4 1004/3.0=10...(45) HE3 LYS 26 + HG3 LYS 36 OK 28 100 35 79 4.4-26.9 1004/3.0=11...(39) HE2 LYS 31 - HG3 LYS 36 poor 20 100 20 - 4.4-14.3 HE3 LYS 26 - HG2 LYS 31 poor 20 67 30 98 5.3-19.4 6338/5.0=6, 4.8/1019=5...(181) HE2 LYS 26 - HG2 LYS 31 poor 17 67 25 - 3.8-19.7 HE3 LYS 19 - HG3 LYS 24 poor 17 61 40 69 4.5-18.1 5.1/803=3, 6.4/792=3...(20) HE3 LYS 31 - HG3 LYS 36 far 15 99 15 - 3.7-15.5 HE2 LYS 19 - HG3 LYS 24 poor 15 61 35 69 3.7-17.8 5.1/803=3, 6.4/792=3...(15) HE2 LYS 36 - HG2 LYS 31 poor 13 67 20 - 4.9-14.4 HE3 LYS 36 - HG2 LYS 31 poor 13 67 20 - 5.4-14.2 HE3 LYS 26 - HG3 LYS 24 far 9 62 15 - 6.5-13.4 HE2 LYS 24 - HG2 LYS 31 far 6 65 10 - 3.3-18.4 HE2 LYS 24 - HG3 LYS 36 far 5 99 5 - 4.6-28.4 HE3 LYS 24 - HG3 LYS 36 far 5 95 5 - 6.2-28.3 HB2 CYS 45 - HG3 LYS 36 lone 4 71 50 10 4.0-12.1 10889/11286=4...(3) HE2 LYS 36 - HG3 LYS 24 far 3 62 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 3 62 5 - 4.8-25.5 HE2 LYS 26 - HG3 LYS 24 far 3 62 5 - 6.7-12.9 HE3 LYS 24 - HG2 LYS 31 far 3 59 5 - 4.0-19.0 HB3 ASN 116 - HG3 LYS 24 far 2 33 5 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 49 0 - 7.1-33.6 HB2 CYS 45 - HG2 LYS 31 far 0 40 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 66 0 - 7.3-26.2 HE2 LYS 19 - HG2 LYS 31 far 0 66 0 - 7.9-25.9 HE3 LYS 31 - HG3 LYS 24 far 0 59 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 62 0 - 8.5-17.7 HB2 CYS 45 - HG3 LYS 24 far 0 36 0 - 9.4-23.6 HE2 LYS 19 - HG3 LYS 36 far 0 100 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 1026 from aliabs.peaks (2.96, 1.46, 24.92 ppm; 5.55 A): 9 out of 35 assignments used, quality = 1.00: HE2 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.0-4.1 4.0=100 * HE3 LYS 36 + HG3 LYS 36 OK 100 100 100 100 2.2-3.5 4.0=100 HE2 LYS 31 + HG2 LYS 31 OK 67 67 100 100 2.3-4.1 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 65 65 100 100 2.1-4.2 3.7=100 HE2 LYS 24 + HG3 LYS 24 OK 59 59 100 100 2.0-3.9 4.0=100 HE3 LYS 24 + HG3 LYS 24 OK 54 54 100 100 2.2-4.2 4.0=100 HE3 LYS 86 + HG3 LYS 86 OK 49 49 100 100 3.3-3.7 3.7=100 HE2 LYS 26 + HG3 LYS 36 OK 28 100 35 81 4.5-27.4 1004/3.0=10...(45) HE3 LYS 26 + HG3 LYS 36 OK 28 100 35 79 4.4-26.9 1004/3.0=11...(39) HE2 LYS 31 - HG3 LYS 36 poor 20 100 20 - 4.4-14.3 HE3 LYS 26 - HG2 LYS 31 poor 20 67 30 98 5.3-19.4 6338/5.0=6, 4.8/1019=5...(181) HE2 LYS 26 - HG2 LYS 31 poor 17 67 25 - 3.8-19.7 HE3 LYS 19 - HG3 LYS 24 poor 17 61 40 69 4.5-18.1 5.1/803=3, 6.4/792=3...(20) HE3 LYS 31 - HG3 LYS 36 far 15 99 15 - 3.7-15.5 HE2 LYS 19 - HG3 LYS 24 poor 15 61 35 69 3.7-17.8 5.1/803=3, 6.4/792=3...(15) HE2 LYS 36 - HG2 LYS 31 poor 13 67 20 - 4.9-14.4 HE3 LYS 36 - HG2 LYS 31 poor 13 67 20 - 5.4-14.2 HE3 LYS 26 - HG3 LYS 24 far 9 62 15 - 6.5-13.4 HE2 LYS 24 - HG2 LYS 31 far 6 65 10 - 3.3-18.4 HE2 LYS 24 - HG3 LYS 36 far 5 99 5 - 4.6-28.4 HE3 LYS 24 - HG3 LYS 36 far 5 95 5 - 6.2-28.3 HB2 CYS 45 - HG3 LYS 36 lone 4 71 50 10 4.0-12.1 10889/11286=4...(3) HE2 LYS 36 - HG3 LYS 24 far 3 62 5 - 3.2-24.6 HE3 LYS 36 - HG3 LYS 24 far 3 62 5 - 4.8-25.5 HE2 LYS 26 - HG3 LYS 24 far 3 62 5 - 6.7-12.9 HE3 LYS 24 - HG2 LYS 31 far 3 59 5 - 4.0-19.0 HB3 ASN 116 - HG3 LYS 24 far 2 33 5 - 6.8-34.9 HB3 ASN 121 - HG3 LYS 24 far 0 49 0 - 7.1-33.6 HB2 CYS 45 - HG2 LYS 31 far 0 40 0 - 7.2-18.6 HE3 LYS 19 - HG2 LYS 31 far 0 66 0 - 7.3-26.2 HE2 LYS 19 - HG2 LYS 31 far 0 66 0 - 7.9-25.9 HE3 LYS 31 - HG3 LYS 24 far 0 59 0 - 8.2-17.8 HE2 LYS 31 - HG3 LYS 24 far 0 62 0 - 8.5-17.7 HB2 CYS 45 - HG3 LYS 24 far 0 36 0 - 9.4-23.6 HE2 LYS 19 - HG3 LYS 36 far 0 100 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 1029 from aliabs.peaks (4.28, 1.66, 28.74 ppm; 4.12 A): 16 out of 153 assignments used, quality = 1.00: * HA LYS 36 + HD2 LYS 36 OK 99 100 100 99 3.5-5.3 5.3=48, 3.0/1031=36...(35) HA LYS 36 + HD3 LYS 36 OK 99 100 100 99 3.0-5.3 5.3=48, 3.0/1031=36...(33) HA LYS 31 + HD3 LYS 31 OK 82 84 100 98 2.0-4.9 5.2=49, ~6332=24...(37) HA LYS 26 + HD3 LYS 26 OK 81 83 100 98 2.1-5.1 5.0=57, ~6252=31...(32) HA LYS 26 + HD2 LYS 26 OK 80 82 100 98 2.1-5.4 5.0=57, ~6252=31...(32) HA LYS 31 + HD2 LYS 31 OK 78 80 100 98 2.0-5.4 5.2=49, ~6332=24...(37) HA LYS 19 + HD2 LYS 19 OK 74 76 100 97 2.0-4.5 5.2=51, ~6151=25...(42) HA LYS 19 + HD3 LYS 19 OK 68 70 100 97 2.0-4.8 5.2=51, ~6151=25...(43) HA THR 25 + HD2 LYS 24 OK 43 99 45 95 2.7-7.9 11128/3.5=30, ~6234=22...(26) HA THR 25 + HD3 LYS 24 OK 39 92 45 95 3.3-8.1 11128/3.5=30, ~6234=22...(25) HA THR 25 + HD2 LYS 26 OK 38 93 45 91 3.7-8.6 582/5.7=36, 11150/2.9=25...(22) HA THR 25 + HD3 LYS 26 OK 35 94 40 92 4.5-8.0 582/5.7=36, 11150/2.9=25...(22) HA LYS 19 + HD3 LYS 24 OK 28 85 40 81 2.2-14.1 822/3.0=4, 793/3.0=4...(55) HA LYS 19 + HD2 LYS 24 OK 24 94 30 86 3.3-14.3 822/3.0=4, 793/3.0=4...(60) HA LYS 31 + HD3 LYS 26 OK 21 86 25 97 4.2-17.5 3.0/6336=5, ~6335=3...(161) HA ARG 23 + HD3 LYS 26 OK 20 94 40 54 3.6-13.1 4.9/11449=7, 4.9/11449=6...(11) HA LYS 26 - HD2 LYS 31 poor 19 77 25 - 2.5-14.0 HA LEU 22 - HD3 LYS 24 poor 19 75 25 - 3.9-9.9 HA ARG 23 - HD2 LYS 26 poor 19 93 40 50 3.1-12.9 6240/6236=3, 3.8/3938=2...(7) HA ALA 21 - HD3 LYS 24 poor 18 88 20 - 3.1-12.2 HA ALA 12 - HD2 LYS 19 poor 17 85 20 - 4.1-20.6 HA THR 18 - HD2 LYS 19 poor 17 85 20 - 2.6-7.9 HA ARG 23 - HD2 LYS 24 poor 15 99 25 59 3.9-8.4 424/5.9=31, 6240/544=6...(15) HA ALA 21 - HD2 LYS 24 far 14 96 15 - 3.9-12.1 HA THR 18 - HD3 LYS 24 far 14 94 15 - 2.0-15.2 HA ARG 23 - HD3 LYS 24 poor 13 92 25 59 3.5-8.6 424/5.9=31, ~821=6...(16) HA THR 25 - HD2 LYS 31 far 13 89 15 - 4.3-15.2 HA LYS 31 - HD2 LYS 26 far 13 85 15 - 4.7-17.2 HA ALA 15 - HD2 LYS 19 far 13 84 15 - 4.3-14.9 HA LYS 26 - HD3 LYS 31 far 12 81 15 - 4.2-13.7 HA ALA 12 - HD3 LYS 19 far 12 79 15 - 3.2-20.9 HA LYS 31 - HD2 LYS 36 far 9 93 10 - 4.5-11.5 HA ALA 15 - HD3 LYS 31 far 9 93 10 - 5.3-25.6 HA THR 25 - HD3 LYS 31 far 9 92 10 - 4.3-14.5 HA LEU 22 - HD2 LYS 24 poor 8 85 30 31 2.8-10.2 6212/5.9=6, 11967/3.0=5...(10) HA THR 18 - HD3 LYS 19 far 8 78 10 - 4.3-7.5 HA ALA 15 - HD3 LYS 19 far 8 77 10 - 4.4-14.7 HA THR 18 - HD2 LYS 24 far 5 100 5 - 3.6-15.2 HA ALA 15 - HD2 LYS 24 far 5 100 5 - 5.4-22.2 HA THR 25 - HD2 LYS 36 far 5 99 5 - 4.6-21.6 HA ALA 21 - HD2 LYS 36 far 5 97 5 - 5.3-26.7 HA ALA 21 - HD3 LYS 36 far 5 96 5 - 5.2-27.3 HA ALA 110 - HD3 LYS 26 far 5 96 5 - 4.9-35.3 HA LYS 36 - HD2 LYS 26 far 5 95 5 - 4.9-28.2 HA GLN 61 - HD3 LYS 26 far 5 94 5 - 4.2-26.3 HA GLN 61 - HD2 LYS 26 far 5 94 5 - 4.2-27.0 HA THR 18 - HD3 LYS 31 far 5 94 5 - 4.8-24.1 HA ALA 109 - HD3 LYS 26 far 5 93 5 - 4.8-33.6 HA LYS 31 - HD3 LYS 36 far 5 93 5 - 5.5-11.8 HA ALA 15 - HD3 LYS 24 far 5 93 5 - 5.0-21.8 HA ALA 108 - HD2 LYS 26 far 5 92 5 - 4.8-33.2 HA THR 18 - HD2 LYS 31 far 4 90 5 - 4.8-23.0 HA ARG 23 - HD2 LYS 31 far 4 89 5 - 5.6-16.4 HA ALA 16 - HD2 LYS 31 far 4 87 5 - 4.9-27.6 HA THR 25 - HD2 LYS 19 far 4 83 5 - 4.9-18.6 HA LYS 26 - HD3 LYS 24 far 4 81 5 - 4.6-10.7 HA THR 25 - HD3 LYS 19 far 4 77 5 - 5.3-20.4 HA LEU 22 - HD2 LYS 26 far 4 76 5 - 5.5-15.0 HA LYS 31 - HD2 LYS 19 far 4 75 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 3 68 5 - 3.5-28.9 HA ALA 15 - HD2 LYS 31 far 0 89 0 - 5.7-24.6 HA LYS 36 - HD3 LYS 26 far 0 96 0 - 5.8-27.5 HA ALA 21 - HD3 LYS 26 far 0 90 0 - 5.8-15.9 HA THR 25 - HD3 LYS 36 far 0 99 0 - 5.9-22.2 HA ALA 21 - HD3 LYS 19 far 0 72 0 - 5.9-10.7 HA GLN 61 - HD3 LYS 31 far 0 93 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 100 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 90 0 - 6.0-10.6 HA LEU 22 - HD2 LYS 19 far 0 66 0 - 6.1-11.8 HA ALA 109 - HD2 LYS 26 far 0 92 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 77 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 93 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 92 0 - 6.2-17.8 HA ALA 16 - HD2 LYS 19 far 0 82 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 91 0 - 6.3-29.1 HA LEU 22 - HD3 LYS 19 far 0 60 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 77 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 91 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 95 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 87 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 89 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 100 0 - 6.7-32.3 HA ALA 16 - HD3 LYS 19 far 0 75 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 79 0 - 6.7-11.4 HA THR 18 - HD3 LYS 36 far 0 100 0 - 6.8-33.0 HA ALA 110 - HD2 LYS 19 far 0 85 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 93 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 71 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 94 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 90 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 65 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 83 0 - 7.0-14.4 HA LYS 26 - HD2 LYS 36 far 0 90 0 - 7.0-20.6 HA TYR 76 - HD3 LYS 36 far 0 76 0 - 7.0-17.1 HA TYR 76 - HD2 LYS 36 far 0 76 0 - 7.1-17.2 HA ALA 16 - HD3 LYS 36 far 0 99 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 99 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 90 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 93 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 89 0 - 7.2-16.4 HA LYS 19 - HD3 LYS 31 far 0 85 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 100 0 - 7.5-26.2 HA ALA 108 - HD3 LYS 24 far 0 92 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 99 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 99 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 100 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 94 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 94 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 86 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 84 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 93 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 81 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 71 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 79 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 94 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 99 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 95 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 94 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 90 0 - 8.3-23.9 HA GLN 61 - HD3 LYS 19 far 0 77 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 100 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 84 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 99 0 - 8.4-31.3 HA THR 25 - HD2 LYS 95 far 0 79 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 92 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 100 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 85 0 - 8.5-27.7 HA THR 25 - HD3 LYS 95 far 0 85 0 - 8.5-30.6 HA ALA 109 - HD3 LYS 19 far 0 76 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 94 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 82 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 94 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 84 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 95 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 93 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 76 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 75 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 88 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 92 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 88 0 - 9.5-32.1 HA PHE 87 - HD2 LYS 95 far 0 70 0 - 9.6-13.0 HA SER 74 - HD2 LYS 95 far 0 80 0 - 9.6-12.5 HA ALA 12 - HD2 LYS 31 far 0 90 0 - 9.6-26.0 HA SER 74 - HD3 LYS 95 far 0 86 0 - 9.6-11.9 HA ALA 12 - HD3 LYS 31 far 0 94 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 82 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 99 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 89 0 - 9.8-33.3 HA ALA 110 - HD3 LYS 95 far 0 87 0 - 9.9-28.3 HA ALA 16 - HD2 LYS 26 far 0 92 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 85 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 85 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 100 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 1030 from aliabs.peaks (1.82, 1.66, 28.74 ppm; 4.50 A): 23 out of 80 assignments used, quality = 1.00: * HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.0 3.5=100 HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=100 HB3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.0-4.1 3.5=100 HB3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-4.0 3.5=100 HB3 LYS 24 + HD3 LYS 24 OK 94 94 100 100 2.5-4.2 3.5=100 HB3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.1-3.8 3.5=100 HB3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.5-4.2 3.5=100 HB3 LYS 19 + HD2 LYS 19 OK 80 80 100 100 2.2-3.7 3.9=100 HB ILE 32 + HD2 LYS 36 OK 74 99 75 100 2.1-6.8 ~10901=35, 2.1/10837=34...(67) HB3 LYS 19 + HD3 LYS 19 OK 73 73 100 100 2.1-3.7 3.9=100 HB ILE 32 + HD3 LYS 36 OK 64 99 65 100 2.3-8.3 ~10901=35, 2.1/10837=32...(68) HB3 LYS 31 + HD2 LYS 26 OK 46 94 50 98 2.9-17.3 629/2.9=8, 640/2.9=6...(159) HB3 LYS 31 + HD3 LYS 26 OK 37 94 40 97 3.4-17.4 629/2.9=8, 6332/6336=6...(131) HB3 LYS 19 + HD2 LYS 24 OK 32 97 35 94 2.0-16.0 526/3.0=3, ~823=3...(135) HB3 LYS 26 + HD2 LYS 31 OK 31 90 35 99 4.2-14.4 10769/10771=19...(208) HB ILE 32 + HD3 LYS 31 OK 29 92 35 91 4.1-9.2 3.0/10763=11...(65) HB3 LYS 19 + HD3 LYS 24 OK 28 89 35 90 3.5-15.3 526/3.0=3, ~823=3...(105) HB3 LYS 26 + HD3 LYS 31 OK 28 94 30 99 4.5-14.4 10769/10771=16...(212) HB ILE 32 + HD2 LYS 26 OK 25 93 30 91 4.1-18.3 ~10767=10, 2.1/10837=9...(55) HB ILE 32 + HD3 LYS 26 OK 25 94 30 89 4.0-17.6 3.0/10763=9, 2.1/10812=9...(58) HB3 ARG 23 + HD2 LYS 26 OK 24 95 40 64 2.9-14.2 442/5.7=4, ~11618=4...(37) HB3 ARG 23 + HD3 LYS 26 OK 23 96 35 69 2.9-14.6 3.7/11449=11...(27) HB3 ARG 23 - HD3 LYS 24 poor 19 94 20 - 5.2-9.3 HB ILE 32 - HD2 LYS 31 poor 18 89 20 - 5.5-9.5 HB3 LYS 24 - HD3 LYS 19 poor 16 78 20 - 2.0-16.3 HB2 LYS 36 - HD2 LYS 26 poor 15 95 25 64 5.1-27.9 ~1004=5, ~1003=5...(26) HB2 LYS 36 - HD3 LYS 26 poor 15 96 25 63 4.4-27.1 ~1004=5, ~1003=5...(26) HB3 LYS 24 - HD2 LYS 19 poor 14 85 30 56 3.7-15.7 596/5.2=1, 2.9/828=1...(6) HB3 LYS 24 - HD3 LYS 36 far 10 100 10 - 5.5-25.2 HB3 LYS 24 - HD2 LYS 36 far 5 100 5 - 4.2-24.7 HB3 ARG 23 - HD3 LYS 36 far 5 100 5 - 4.9-23.1 HB3 LYS 26 - HD2 LYS 24 far 5 100 5 - 5.1-12.6 HB2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 5 100 5 - 5.8-22.3 HB3 ARG 23 - HD2 LYS 24 far 5 100 5 - 5.9-9.2 HB3 LYS 26 - HD3 LYS 24 far 5 94 5 - 3.7-12.3 HB2 LYS 36 - HD3 LYS 31 far 5 94 5 - 5.9-14.3 HB2 LYS 36 - HD2 LYS 31 far 5 90 5 - 5.0-15.5 HB3 LYS 24 - HD2 LYS 31 far 4 90 5 - 5.4-17.9 HB3 LYS 19 - HD3 LYS 31 far 4 89 5 - 5.9-24.7 HB3 LYS 31 - HD2 LYS 19 far 4 84 5 - 3.6-27.6 HB VAL 93 - HD3 LYS 95 far 4 81 5 - 5.9-8.8 HB3 LYS 31 - HD3 LYS 19 far 4 77 5 - 4.1-28.8 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 85 0 - 6.0-24.2 HB VAL 93 - HD2 LYS 95 far 0 74 0 - 6.0-10.4 HB3 ARG 23 - HD2 LYS 31 far 0 90 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 94 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 94 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 94 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 91 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 85 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 93 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 94 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 79 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 92 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 100 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 85 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 57 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 95 far 0 87 0 - 7.6-33.5 HB3 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 95 far 0 46 0 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 95 far 0 51 0 - 7.8-11.4 HB ILE 32 - HD3 LYS 19 far 0 77 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 79 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 83 0 - 8.1-28.1 HB3 LYS 24 - HD2 LYS 95 far 0 80 0 - 8.2-34.6 HB3 LEU 122 - HD2 LYS 24 far 0 65 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 70 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 99 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 66 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 94 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 76 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 86 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 95 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 1031 from aliabs.peaks (1.88, 1.66, 28.74 ppm; 5.74 A): 4 out of 31 assignments used, quality = 1.00: * HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-4.0 3.5=100 HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 LYS 36 + HD2 LYS 26 OK 26 95 35 80 5.4-27.2 1004/3.0=11, 1003/3.0=11...(63) HB3 LYS 36 + HD3 LYS 26 OK 26 96 35 78 5.3-26.4 1004/3.0=11, 1004/3.0=11...(64) HB3 LEU 48 - HD2 LYS 24 far 10 97 10 - 5.1-30.4 HB2 GLU 40 - HD2 LYS 24 far 9 92 10 - 4.0-32.8 HB2 GLU 40 - HD3 LYS 36 far 9 92 10 - 4.5-16.9 HB3 LEU 48 - HD3 LYS 26 far 9 91 10 - 6.7-28.3 HB3 LEU 48 - HD3 LYS 24 far 9 89 10 - 5.5-29.0 HB3 LEU 48 - HD3 LYS 31 far 9 89 10 - 7.1-24.4 HB3 LEU 48 - HD2 LYS 31 far 9 85 10 - 6.1-25.6 HB3 LYS 36 - HD2 LYS 24 far 5 100 5 - 4.4-26.5 HB3 LEU 48 - HD2 LYS 36 far 5 97 5 - 6.8-17.8 HB3 LEU 48 - HD3 LYS 36 far 5 97 5 - 6.4-16.2 HB3 LYS 36 - HD3 LYS 24 far 5 94 5 - 5.8-27.0 HB3 LYS 36 - HD3 LYS 31 far 5 94 5 - 6.9-14.6 HB2 GLU 40 - HD2 LYS 36 far 5 92 5 - 5.4-16.0 HB3 LYS 36 - HD2 LYS 31 far 5 90 5 - 5.7-14.8 HB2 GLU 40 - HD3 LYS 24 far 4 82 5 - 3.0-31.2 HB3 LEU 48 - HD2 LYS 19 far 4 80 5 - 6.8-36.4 HB2 GLU 40 - HD2 LYS 31 far 4 78 5 - 7.1-25.0 HB3 LEU 48 - HD2 LYS 26 far 0 90 0 - 7.3-28.7 HB3 LEU 48 - HD3 LYS 19 far 0 73 0 - 7.5-37.8 HB2 ARG 90 - HD3 LYS 95 far 0 46 0 - 7.6-10.8 HB2 GLU 40 - HD2 LYS 19 far 0 73 0 - 7.7-41.4 HB2 GLU 40 - HD3 LYS 31 far 0 82 0 - 7.9-23.3 HB2 GLU 40 - HD2 LYS 26 far 0 83 0 - 7.9-32.4 HB2 GLU 40 - HD3 LYS 26 far 0 84 0 - 8.2-32.0 HB2 ARG 90 - HD2 LYS 95 far 0 42 0 - 8.6-11.8 HB2 GLU 40 - HD3 LYS 19 far 0 67 0 - 8.6-42.0 HB3 LEU 119 - HD3 LYS 24 far 0 88 0 - 9.3-33.5 Violated in 0 structures by 0.00 A. Peak 1032 from aliabs.peaks (1.38, 1.66, 28.74 ppm; 3.87 A): 14 out of 140 assignments used, quality = 1.00: * HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 96 96 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 31 OK 93 93 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 86 86 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 84 84 100 100 2.2-3.0 2.9=100 HG2 LYS 19 + HD2 LYS 19 OK 80 80 100 100 2.5-3.0 3.0=100 HG3 LYS 95 + HD2 LYS 95 OK 79 79 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 77 77 100 100 2.2-2.9 2.9=100 HG2 LYS 19 + HD3 LYS 19 OK 73 73 100 100 2.4-3.0 3.0=100 HG2 LYS 19 - HD2 LYS 24 poor 19 97 25 79 3.0-17.8 277=2, 3.0/2631=2...(29) QB ALA 15 - HD3 LYS 31 poor 19 94 20 - 3.8-22.6 QB ALA 12 - HD2 LYS 19 poor 19 62 30 - 2.2-15.1 QB ALA 12 - HD3 LYS 19 poor 17 57 30 - 2.1-15.8 HG2 LYS 19 - HD3 LYS 24 poor 16 89 25 73 2.7-16.9 277/1.8=2, 3.0/2631=2...(29) HG2 LYS 24 - HD3 LYS 19 poor 16 78 20 - 2.1-17.8 HG3 LYS 26 - HD3 LYS 31 far 14 94 15 - 3.4-15.4 HG3 LYS 31 - HD2 LYS 26 far 14 94 15 - 4.8-17.0 QB ALA 28 - HD3 LYS 24 far 14 93 15 - 4.8-12.7 QB ALA 29 - HD2 LYS 31 far 14 90 15 - 2.5-9.8 QB ALA 15 - HD2 LYS 19 far 13 85 15 - 3.7-12.8 HG2 LYS 24 - HD2 LYS 19 far 13 84 15 - 3.2-16.1 HG3 LYS 26 - HD2 LYS 36 far 10 100 10 - 4.8-22.9 QB ALA 28 - HD2 LYS 24 far 10 100 10 - 4.4-13.3 HG3 LYS 31 - HD2 LYS 36 far 10 100 10 - 4.8-13.4 HB2 LEU 42 - HD2 LYS 36 far 10 99 10 - 4.0-11.4 HB2 LEU 42 - HD3 LYS 36 far 10 99 10 - 3.8-11.6 QB ALA 29 - HD3 LYS 26 far 10 95 10 - 4.5-11.4 HG3 LYS 31 - HD3 LYS 26 far 9 94 10 - 3.0-16.8 QB ALA 29 - HD2 LYS 26 far 9 94 10 - 4.7-11.1 QB ALA 15 - HD2 LYS 31 far 9 90 10 - 3.6-21.3 QB ALA 29 - HD3 LYS 31 poor 9 94 30 31 3.0-9.8 ~10782=16, 3.7/7749=5...(6) QB ALA 28 - HD3 LYS 31 poor 9 93 25 37 2.9-9.7 6304/10771=16, ~10771=14...(5) QB ALA 28 - HD2 LYS 31 poor 8 90 25 37 2.1-10.6 6304/10771=19, ~10771=12...(4) QB ALA 15 - HD3 LYS 19 far 8 79 10 - 3.8-12.9 QB ALA 12 - HD3 LYS 24 far 7 71 10 - 4.3-18.1 QB ALA 15 - HD2 LYS 24 far 5 100 5 - 4.1-17.3 QB ALA 108 - HD2 LYS 24 far 5 100 5 - 5.1-33.9 HG3 LYS 95 - HD2 LYS 24 far 5 100 5 - 3.4-37.4 QB ALA 29 - HD2 LYS 36 far 5 100 5 - 5.2-9.9 HG3 LYS 26 - HD2 LYS 24 far 5 100 5 - 5.3-11.0 QB ALA 29 - HD3 LYS 36 far 5 100 5 - 5.2-10.6 QB ALA 29 - HD2 LYS 24 far 5 100 5 - 5.3-13.3 HG2 LYS 24 - HD2 LYS 36 far 5 100 5 - 5.3-25.5 HG3 LYS 31 - HD3 LYS 36 far 5 100 5 - 4.6-13.4 HG2 LYS 95 - HD2 LYS 24 far 5 99 5 - 4.4-37.2 QB ALA 16 - HD2 LYS 24 far 5 96 5 - 4.9-17.1 QB ALA 110 - HD3 LYS 26 far 5 95 5 - 2.4-29.3 QB ALA 108 - HD3 LYS 26 far 5 96 5 - 4.8-26.0 HG2 LYS 36 - HD3 LYS 26 far 5 96 5 - 5.1-24.7 HG2 LYS 24 - HD3 LYS 26 far 5 95 5 - 5.2-11.4 QB ALA 110 - HD2 LYS 26 far 5 94 5 - 3.6-30.2 QB ALA 15 - HD3 LYS 24 far 5 94 5 - 3.5-17.1 HG3 LYS 26 - HD3 LYS 24 far 5 94 5 - 3.7-11.0 QB ALA 108 - HD3 LYS 24 far 5 94 5 - 4.5-33.1 QB ALA 29 - HD3 LYS 24 far 5 94 5 - 5.3-12.6 QB ALA 109 - HD3 LYS 26 far 5 93 5 - 5.1-28.1 HG3 LYS 95 - HD3 LYS 24 far 5 93 5 - 3.7-36.4 QB ALA 109 - HD2 LYS 26 far 5 92 5 - 4.4-27.7 HG2 LYS 95 - HD3 LYS 24 far 5 91 5 - 4.1-36.2 HG3 LYS 26 - HD2 LYS 31 far 5 90 5 - 3.6-15.7 QB ALA 16 - HD2 LYS 31 far 4 84 5 - 5.3-24.0 HG3 LYS 31 - HD2 LYS 19 far 4 84 5 - 4.6-25.3 QB ALA 16 - HD2 LYS 19 far 4 79 5 - 4.8-11.3 QB ALA 28 - HD3 LYS 19 far 4 78 5 - 4.6-21.9 HG3 LYS 31 - HD3 LYS 19 far 4 77 5 - 4.1-26.6 QB ALA 16 - HD3 LYS 19 far 4 72 5 - 5.4-11.1 HG LEU 96 - HD2 LYS 95 far 3 66 5 - 5.0-10.2 QB ALA 28 - HD2 LYS 26 far 0 94 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 80 0 - 5.6-18.4 HB2 LEU 96 - HD2 LYS 95 far 0 81 0 - 5.6-9.4 QB ALA 16 - HD3 LYS 24 far 0 88 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 94 0 - 5.8-11.1 HG LEU 96 - HD3 LYS 95 far 0 72 0 - 5.8-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 95 0 - 5.9-25.5 HB2 LEU 96 - HD3 LYS 95 far 0 87 0 - 5.9-9.0 HG3 LYS 31 - HD3 LYS 24 far 0 93 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 84 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 95 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 95 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 90 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 88 0 - 6.3-25.2 QB ALA 12 - HD3 LYS 31 far 0 71 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 100 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 76 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 67 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 94 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 96 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 85 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 85 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 93 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 90 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 79 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 82 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 87 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 95 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 100 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 89 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 96 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 97 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 85 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 90 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 87 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 79 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 81 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 92 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 94 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 100 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 94 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 86 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 100 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 99 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 100 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 81 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 89 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 90 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 80 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 79 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 85 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 80 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 90 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 85 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 81 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 97 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 93 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 80 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 85 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 78 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 94 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 1033 from aliabs.peaks (1.46, 1.66, 28.74 ppm; 3.55 A): 10 out of 66 assignments used, quality = 1.00: * HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 96 96 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 90 90 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 88 88 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 62 62 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 57 57 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 56 56 100 100 2.2-2.9 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 55 55 100 100 2.2-3.0 2.9=100 HG3 LYS 24 - HD2 LYS 19 poor 20 79 25 - 2.7-16.7 HG2 LYS 31 - HD3 LYS 26 poor 19 95 20 - 4.2-17.6 QB ALA 92 - HD3 LYS 95 poor 19 46 40 - 3.6-6.8 HG3 LYS 24 - HD3 LYS 19 poor 18 72 25 - 2.0-17.8 QB ALA 92 - HD2 LYS 95 poor 12 42 30 - 3.1-7.6 HG3 LYS 19 - HD3 LYS 24 far 11 71 15 - 4.4-17.3 HG3 LYS 19 - HD2 LYS 24 far 8 80 10 - 4.4-17.3 HG LEU 42 - HD2 LYS 36 far 6 63 10 - 3.1-12.7 HG LEU 42 - HD3 LYS 36 far 6 63 10 - 3.9-14.1 HG2 LYS 26 - HD3 LYS 31 far 5 54 10 - 4.2-16.2 HG3 LYS 36 - HD3 LYS 26 far 5 96 5 - 3.6-25.1 HG2 LYS 31 - HD2 LYS 26 far 5 94 5 - 3.5-18.0 QB ALA 52 - HD2 LYS 24 far 4 80 5 - 4.8-24.6 HG2 LYS 26 - HD3 LYS 24 far 3 54 5 - 3.7-12.2 HG2 LYS 26 - HD2 LYS 31 far 3 51 5 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 63 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 63 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 95 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 97 0 - 5.1-23.7 QB ALA 52 - HD3 LYS 24 far 0 71 0 - 5.3-23.6 HG2 LYS 31 - HD3 LYS 36 far 0 100 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 100 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 94 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 79 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 85 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 63 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 90 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 90 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 89 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 94 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 96 0 - 6.1-24.1 HG3 LYS 19 - HD3 LYS 31 far 0 71 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 94 0 - 6.5-26.8 QB ALA 52 - HD2 LYS 26 far 0 72 0 - 6.6-24.5 HG3 LYS 24 - HD2 LYS 31 far 0 84 0 - 6.7-17.1 HG3 LYS 19 - HD2 LYS 31 far 0 67 0 - 6.8-25.5 HG3 LYS 24 - HD3 LYS 95 far 0 81 0 - 7.8-36.0 QB ALA 52 - HD2 LYS 31 far 0 67 0 - 7.8-23.8 HG3 LYS 19 - HD3 LYS 26 far 0 73 0 - 7.8-23.0 QB ALA 52 - HD3 LYS 26 far 0 73 0 - 7.9-24.2 HG3 LYS 24 - HD3 LYS 31 far 0 88 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 74 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 72 0 - 8.1-22.8 QB ALA 52 - HD2 LYS 36 far 0 81 0 - 8.4-17.8 QB ALA 52 - HD2 LYS 19 far 0 62 0 - 8.4-30.3 QB ALA 52 - HD3 LYS 31 far 0 71 0 - 8.6-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 42 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 47 0 - 8.9-23.8 QB ALA 52 - HD3 LYS 36 far 0 80 0 - 9.0-17.1 QB ALA 52 - HD3 LYS 19 far 0 57 0 - 9.2-30.7 QB ALA 92 - HD3 LYS 24 far 0 52 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 60 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 85 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 79 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 1034 from aliabs.peaks (1.66, 1.66, 28.74 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 96 96 - 100 HD2 LYS 26 + HD2 LYS 26 OK 94 94 - 100 HD3 LYS 31 + HD3 LYS 31 OK 93 93 - 100 HD3 LYS 24 + HD3 LYS 24 OK 90 90 - 100 HD2 LYS 31 + HD2 LYS 31 OK 88 88 - 100 HD3 LYS 95 + HD3 LYS 95 OK 87 87 - 100 HD2 LYS 19 + HD2 LYS 19 OK 77 77 - 100 HD2 LYS 95 + HD2 LYS 95 OK 77 77 - 100 HD3 LYS 19 + HD3 LYS 19 OK 68 68 - 100 Peak 1035 from aliabs.peaks (1.66, 1.66, 28.74 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 96 96 - 100 HD2 LYS 26 + HD2 LYS 26 OK 94 94 - 100 HD3 LYS 31 + HD3 LYS 31 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 91 91 - 100 HD2 LYS 31 + HD2 LYS 31 OK 89 89 - 100 HD3 LYS 95 + HD3 LYS 95 OK 87 87 - 100 HD2 LYS 19 + HD2 LYS 19 OK 79 79 - 100 HD2 LYS 95 + HD2 LYS 95 OK 78 78 - 100 HD3 LYS 19 + HD3 LYS 19 OK 70 70 - 100 Reference assignment not found: HD3 LYS 36 - HD2 LYS 36 Peak 1036 from aliabs.peaks (2.96, 1.66, 28.74 ppm; 3.83 A): 20 out of 110 assignments used, quality = 1.00: * HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 96 96 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 92 92 100 100 2.4-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.3-3.0 2.9=100 HE3 LYS 26 - HD2 LYS 36 poor 20 100 20 - 2.5-24.7 HE2 LYS 36 - HD3 LYS 26 poor 19 96 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 19 96 20 - 3.8-24.9 HE3 LYS 36 - HD2 LYS 26 poor 19 95 20 - 3.3-25.8 HE2 LYS 24 - HD2 LYS 19 poor 16 82 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 15 76 20 - 2.7-18.2 HE2 LYS 26 - HD2 LYS 36 far 15 100 15 - 3.3-25.2 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HB2 CYS 45 - HD2 LYS 36 poor 14 71 20 - 4.5-10.8 HB2 CYS 45 - HD3 LYS 36 poor 14 71 20 - 4.1-11.2 HE3 LYS 24 - HD3 LYS 19 poor 14 70 20 - 2.2-19.0 HE3 LYS 19 - HD3 LYS 24 far 14 93 15 - 3.7-17.8 HE2 LYS 31 - HD2 LYS 36 far 10 100 10 - 3.1-14.2 HE3 LYS 26 - HD3 LYS 36 far 10 100 10 - 3.6-25.8 HE2 LYS 31 - HD3 LYS 36 far 10 100 10 - 4.3-13.8 HE2 LYS 26 - HD3 LYS 36 far 10 100 10 - 4.7-26.1 HE2 LYS 19 - HD2 LYS 24 far 10 100 10 - 5.2-19.0 HE3 LYS 31 - HD2 LYS 36 far 10 99 10 - 3.6-14.4 HE2 LYS 36 - HD2 LYS 26 far 9 95 10 - 1.9-25.5 HE3 LYS 31 - HD3 LYS 26 far 9 93 10 - 4.6-14.9 HE2 LYS 36 - HD2 LYS 31 far 9 90 10 - 4.6-13.1 HE3 LYS 24 - HD2 LYS 19 far 8 76 10 - 2.9-18.4 HE2 LYS 19 - HD3 LYS 24 poor 7 93 25 28 4.2-18.5 5.1/2631=1, 3.8/632=1 HE2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.2-24.7 HE3 LYS 31 - HD3 LYS 36 far 5 99 5 - 4.8-13.8 HE2 LYS 31 - HD3 LYS 26 far 5 96 5 - 4.2-14.6 HE2 LYS 31 - HD2 LYS 26 far 5 95 5 - 3.3-15.6 HE2 LYS 36 - HD3 LYS 31 far 5 94 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 5 94 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 94 5 - 4.6-18.1 HE3 LYS 36 - HD3 LYS 31 far 5 94 5 - 5.3-12.3 HE3 LYS 31 - HD2 LYS 26 far 5 92 5 - 4.9-15.3 HE2 LYS 24 - HD3 LYS 31 far 5 92 5 - 4.7-18.8 HE3 LYS 26 - HD2 LYS 31 far 5 90 5 - 5.2-17.8 HE3 LYS 24 - HD3 LYS 31 far 4 85 5 - 5.0-18.2 HB3 ASN 121 - HD3 LYS 24 far 4 79 5 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 4 78 5 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 90 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 94 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 94 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 88 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 90 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 85 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 57 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 72 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 81 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 94 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 85 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 66 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 79 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 89 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 63 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 62 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 99 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 93 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 94 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 58 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 76 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 92 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 95 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 62 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 78 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 86 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 62 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 93 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 85 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 79 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 93 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 65 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 94 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 90 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 71 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 94 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 90 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 85 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 79 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 1037 from aliabs.peaks (2.96, 1.66, 28.74 ppm; 3.83 A): 20 out of 110 assignments used, quality = 1.00: HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 96 96 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 94 94 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 92 92 100 100 2.4-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.3-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 90 90 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 88 88 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 85 85 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 84 84 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 78 78 100 100 2.3-3.0 2.9=100 HE3 LYS 26 - HD2 LYS 36 poor 20 100 20 - 2.5-24.7 HE2 LYS 36 - HD3 LYS 26 poor 19 96 20 - 2.9-24.6 HE3 LYS 36 - HD3 LYS 26 poor 19 96 20 - 3.8-24.9 HE3 LYS 36 - HD2 LYS 26 poor 19 95 20 - 3.3-25.8 HE2 LYS 24 - HD2 LYS 19 poor 16 82 20 - 2.6-17.0 HE2 LYS 24 - HD3 LYS 19 poor 15 76 20 - 2.7-18.2 HE2 LYS 26 - HD2 LYS 36 far 15 100 15 - 3.3-25.2 HE3 LYS 19 - HD2 LYS 24 far 15 100 15 - 3.9-18.3 HB2 CYS 45 - HD2 LYS 36 poor 14 71 20 - 4.5-10.8 HB2 CYS 45 - HD3 LYS 36 poor 14 71 20 - 4.1-11.2 HE3 LYS 24 - HD3 LYS 19 poor 14 70 20 - 2.2-19.0 HE3 LYS 19 - HD3 LYS 24 far 14 93 15 - 3.7-17.8 HE2 LYS 31 - HD2 LYS 36 far 10 100 10 - 3.1-14.2 HE3 LYS 26 - HD3 LYS 36 far 10 100 10 - 3.6-25.8 HE2 LYS 31 - HD3 LYS 36 far 10 100 10 - 4.3-13.8 HE2 LYS 26 - HD3 LYS 36 far 10 100 10 - 4.7-26.1 HE2 LYS 19 - HD2 LYS 24 far 10 100 10 - 5.2-19.0 HE3 LYS 31 - HD2 LYS 36 far 10 99 10 - 3.6-14.4 HE2 LYS 36 - HD2 LYS 26 far 9 95 10 - 1.9-25.5 HE3 LYS 31 - HD3 LYS 26 far 9 93 10 - 4.6-14.9 HE2 LYS 36 - HD2 LYS 31 far 9 90 10 - 4.6-13.1 HE3 LYS 24 - HD2 LYS 19 far 8 76 10 - 2.9-18.4 HE2 LYS 19 - HD3 LYS 24 poor 7 93 25 28 4.2-18.5 5.1/2631=1, 3.8/632=1 HE2 LYS 36 - HD2 LYS 24 far 5 100 5 - 5.2-24.7 HE3 LYS 31 - HD3 LYS 36 far 5 99 5 - 4.8-13.8 HE2 LYS 31 - HD3 LYS 26 far 5 96 5 - 4.2-14.6 HE2 LYS 31 - HD2 LYS 26 far 5 95 5 - 3.3-15.6 HE2 LYS 36 - HD3 LYS 31 far 5 94 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 5 94 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 94 5 - 4.6-18.1 HE3 LYS 36 - HD3 LYS 31 far 5 94 5 - 5.3-12.3 HE3 LYS 31 - HD2 LYS 26 far 5 92 5 - 4.9-15.3 HE2 LYS 24 - HD3 LYS 31 far 5 92 5 - 4.7-18.8 HE3 LYS 26 - HD2 LYS 31 far 5 90 5 - 5.2-17.8 HE3 LYS 24 - HD3 LYS 31 far 4 85 5 - 5.0-18.2 HB3 ASN 121 - HD3 LYS 24 far 4 79 5 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 4 78 5 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 90 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 94 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 94 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 88 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 90 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 85 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 57 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 72 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 81 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 94 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 85 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 66 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 79 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 89 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 63 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 62 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 92 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 99 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 93 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 94 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 58 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 76 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 92 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 95 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 62 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 78 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 82 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 86 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 62 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 93 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 85 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 79 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 93 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 65 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 94 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 90 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 71 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 94 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 90 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 85 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 85 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 79 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 79 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 1040 from aliabs.peaks (4.28, 1.66, 28.74 ppm; 3.68 A): 12 out of 153 assignments used, quality = 1.00: HA LYS 36 + HD2 LYS 36 OK 93 100 95 98 3.5-5.3 5.3=34, 3.0/1042=30...(31) HA LYS 31 + HD3 LYS 31 OK 80 85 100 94 2.0-4.9 5.2=35, ~6332=17...(37) * HA LYS 36 + HD3 LYS 36 OK 78 100 80 98 3.0-5.3 5.3=34, 3.0/1042=30...(31) HA LYS 26 + HD3 LYS 26 OK 78 83 100 94 2.1-5.1 5.0=41, ~6252=24...(32) HA LYS 19 + HD2 LYS 19 OK 73 79 100 93 2.0-4.5 5.2=36, ~6151=19...(42) HA LYS 31 + HD2 LYS 31 OK 69 82 90 94 2.0-5.4 5.2=35, ~6332=17...(37) HA LYS 19 + HD3 LYS 19 OK 68 73 100 93 2.0-4.8 5.2=36, ~6151=19...(43) HA LYS 26 + HD2 LYS 26 OK 66 82 85 94 2.1-5.4 5.0=41, ~6252=24...(32) HA THR 25 + HD2 LYS 26 OK 35 94 45 84 3.7-8.6 582/5.7=26, 11150/2.9=20...(22) HA THR 25 + HD2 LYS 24 OK 31 99 35 90 2.7-7.9 11128/3.5=24, ~6234=17...(26) HA THR 25 + HD3 LYS 24 OK 30 94 35 90 3.3-8.1 11128/3.5=24, ~6234=17...(25) HA LYS 19 + HD3 LYS 24 OK 21 87 35 70 2.2-14.1 822/3.0=3, 793/3.0=3...(22) HA THR 25 - HD3 LYS 26 poor 19 94 20 - 4.5-8.0 HA LYS 19 - HD2 LYS 24 poor 18 95 25 77 3.3-14.3 822/3.0=3, 793/3.0=3...(24) HA ALA 12 - HD2 LYS 19 poor 18 88 20 - 4.1-20.6 HA THR 18 - HD2 LYS 19 poor 17 87 20 - 2.6-7.9 HA LEU 22 - HD2 LYS 24 poor 17 85 20 - 2.8-10.2 HA LEU 22 - HD3 LYS 24 poor 15 77 20 - 3.9-9.9 HA ALA 21 - HD2 LYS 24 far 14 97 15 - 3.9-12.1 HA ARG 23 - HD2 LYS 26 poor 13 94 35 40 3.1-12.9 6240/6236=2, 3.8/3938=2...(5) HA LYS 31 - HD3 LYS 26 far 13 86 15 - 4.2-17.5 HA ARG 23 - HD2 LYS 24 poor 12 99 25 47 3.9-8.4 424/5.9=22, 6240/544=5...(13) HA LYS 26 - HD2 LYS 31 far 12 78 15 - 2.5-14.0 HA ARG 23 - HD3 LYS 24 poor 11 94 25 47 3.5-8.6 424/5.9=22, ~821=4...(13) HA THR 18 - HD3 LYS 24 far 10 95 10 - 2.0-15.2 HA THR 25 - HD3 LYS 31 far 9 93 10 - 4.3-14.5 HA ARG 23 - HD3 LYS 26 poor 9 94 25 39 3.6-13.1 3.8/3938=2, 462/11449=2...(6) HA ALA 21 - HD3 LYS 24 far 9 90 10 - 3.1-12.2 HA THR 25 - HD2 LYS 31 far 9 90 10 - 4.3-15.2 HA ALA 15 - HD2 LYS 19 far 9 87 10 - 4.3-14.9 HA LYS 31 - HD2 LYS 26 far 9 85 10 - 4.7-17.2 HA ALA 12 - HD3 LYS 19 far 8 82 10 - 3.2-20.9 HA LYS 26 - HD3 LYS 31 far 8 82 10 - 4.2-13.7 HA THR 18 - HD3 LYS 19 far 8 82 10 - 4.3-7.5 HA ALA 15 - HD3 LYS 19 far 8 81 10 - 4.4-14.7 HA THR 18 - HD2 LYS 24 far 5 100 5 - 3.6-15.2 HA THR 25 - HD2 LYS 36 far 5 99 5 - 4.6-21.6 HA ALA 110 - HD3 LYS 26 far 5 95 5 - 4.9-35.3 HA LYS 36 - HD2 LYS 26 far 5 95 5 - 4.9-28.2 HA ALA 15 - HD3 LYS 24 far 5 95 5 - 5.0-21.8 HA GLN 61 - HD3 LYS 26 far 5 94 5 - 4.2-26.3 HA THR 18 - HD3 LYS 31 far 5 94 5 - 4.8-24.1 HA GLN 61 - HD2 LYS 26 far 5 94 5 - 4.2-27.0 HA ALA 109 - HD3 LYS 26 far 5 93 5 - 4.8-33.6 HA LYS 31 - HD2 LYS 36 far 5 93 5 - 4.5-11.5 HA ALA 108 - HD2 LYS 26 far 5 93 5 - 4.8-33.2 HA THR 18 - HD2 LYS 31 far 5 91 5 - 4.8-23.0 HA ALA 16 - HD2 LYS 31 far 4 89 5 - 4.9-27.6 HA THR 25 - HD2 LYS 19 far 4 86 5 - 4.9-18.6 HA LYS 26 - HD3 LYS 24 far 4 83 5 - 4.6-10.7 HA LYS 31 - HD2 LYS 19 far 4 77 5 - 2.7-27.6 HA LYS 31 - HD3 LYS 19 far 4 72 5 - 3.5-28.9 HA ALA 21 - HD3 LYS 36 far 0 97 0 - 5.2-27.3 HA ALA 15 - HD3 LYS 31 far 0 94 0 - 5.3-25.6 HA THR 25 - HD3 LYS 19 far 0 80 0 - 5.3-20.4 HA ALA 21 - HD2 LYS 36 far 0 96 0 - 5.3-26.7 HA ALA 15 - HD2 LYS 24 far 0 100 0 - 5.4-22.2 HA LYS 31 - HD3 LYS 36 far 0 93 0 - 5.5-11.8 HA LEU 22 - HD2 LYS 26 far 0 77 0 - 5.5-15.0 HA ARG 23 - HD2 LYS 31 far 0 90 0 - 5.6-16.4 HA ALA 15 - HD2 LYS 31 far 0 91 0 - 5.7-24.6 HA LYS 36 - HD3 LYS 26 far 0 95 0 - 5.8-27.5 HA ALA 21 - HD3 LYS 26 far 0 90 0 - 5.8-15.9 HA THR 25 - HD3 LYS 36 far 0 99 0 - 5.9-22.2 HA ALA 21 - HD3 LYS 19 far 0 76 0 - 5.9-10.7 HA GLN 61 - HD3 LYS 31 far 0 94 0 - 6.0-23.4 HA LYS 36 - HD2 LYS 24 far 0 100 0 - 6.0-27.3 HA LYS 26 - HD2 LYS 24 far 0 90 0 - 6.0-10.6 HA LEU 22 - HD2 LYS 19 far 0 69 0 - 6.1-11.8 HA ALA 109 - HD2 LYS 26 far 0 93 0 - 6.1-34.6 HA ARG 23 - HD3 LYS 19 far 0 80 0 - 6.1-16.1 HA ALA 108 - HD3 LYS 26 far 0 93 0 - 6.2-32.2 HA ARG 23 - HD3 LYS 31 far 0 93 0 - 6.2-17.8 HA ALA 16 - HD2 LYS 19 far 0 84 0 - 6.3-13.4 HA ALA 16 - HD3 LYS 31 far 0 92 0 - 6.3-29.1 HA LEU 22 - HD3 LYS 19 far 0 63 0 - 6.5-12.8 HA LEU 22 - HD3 LYS 26 far 0 77 0 - 6.5-14.0 HA ALA 16 - HD3 LYS 24 far 0 93 0 - 6.6-19.1 HA ALA 110 - HD2 LYS 26 far 0 95 0 - 6.6-36.4 HA LYS 19 - HD3 LYS 26 far 0 87 0 - 6.6-20.4 HA GLN 61 - HD2 LYS 31 far 0 91 0 - 6.6-24.1 HA THR 18 - HD2 LYS 36 far 0 100 0 - 6.7-32.3 HA ALA 16 - HD3 LYS 19 far 0 79 0 - 6.7-12.6 HA ALA 21 - HD2 LYS 19 far 0 81 0 - 6.7-11.4 HA THR 18 - HD3 LYS 36 far 0 100 0 - 6.8-33.0 HA ALA 110 - HD2 LYS 19 far 0 88 0 - 6.8-53.6 HA GLN 61 - HD3 LYS 24 far 0 95 0 - 6.8-25.3 HA LYS 26 - HD2 LYS 19 far 0 74 0 - 6.8-20.5 HA ALA 12 - HD3 LYS 24 far 0 96 0 - 6.8-23.7 HA LYS 36 - HD2 LYS 31 far 0 92 0 - 7.0-16.1 HA LYS 26 - HD3 LYS 19 far 0 69 0 - 7.0-22.3 HA ARG 23 - HD2 LYS 19 far 0 86 0 - 7.0-14.4 HA LYS 26 - HD2 LYS 36 far 0 90 0 - 7.0-20.6 HA TYR 76 - HD3 LYS 36 far 0 76 0 - 7.0-17.1 HA TYR 76 - HD2 LYS 36 far 0 76 0 - 7.1-17.2 HA ALA 16 - HD3 LYS 36 far 0 99 0 - 7.2-32.0 HA ALA 16 - HD2 LYS 24 far 0 99 0 - 7.2-19.6 HA LYS 26 - HD3 LYS 36 far 0 90 0 - 7.2-21.5 HA SER 74 - HD3 LYS 31 far 0 94 0 - 7.2-24.8 HA ALA 21 - HD2 LYS 26 far 0 89 0 - 7.2-16.4 HA LYS 19 - HD3 LYS 31 far 0 86 0 - 7.4-24.1 HA GLN 61 - HD2 LYS 24 far 0 100 0 - 7.5-26.2 HA ALA 108 - HD3 LYS 24 far 0 93 0 - 7.5-40.8 HA ARG 23 - HD3 LYS 36 far 0 99 0 - 7.6-24.8 HA ARG 23 - HD2 LYS 36 far 0 99 0 - 7.6-24.0 HA ALA 12 - HD2 LYS 24 far 0 100 0 - 7.6-24.0 HA LYS 36 - HD3 LYS 24 far 0 96 0 - 7.6-27.9 HA LYS 36 - HD3 LYS 31 far 0 95 0 - 7.6-15.2 HA LYS 19 - HD2 LYS 26 far 0 87 0 - 7.7-20.2 HA GLN 61 - HD2 LYS 19 far 0 87 0 - 7.8-32.5 HA LYS 31 - HD2 LYS 24 far 0 93 0 - 7.8-17.9 HA LYS 19 - HD2 LYS 31 far 0 83 0 - 7.8-23.5 HA LEU 22 - HD2 LYS 31 far 0 73 0 - 8.1-19.6 HA ALA 110 - HD3 LYS 19 far 0 82 0 - 8.1-52.0 HA ALA 15 - HD3 LYS 26 far 0 94 0 - 8.1-24.3 HA ALA 108 - HD2 LYS 24 far 0 99 0 - 8.1-41.9 HA THR 18 - HD3 LYS 26 far 0 95 0 - 8.2-20.7 HA ALA 15 - HD2 LYS 26 far 0 94 0 - 8.3-24.9 HA SER 74 - HD2 LYS 31 far 0 91 0 - 8.3-23.9 HA GLN 61 - HD3 LYS 19 far 0 81 0 - 8.4-32.0 HA ALA 15 - HD3 LYS 36 far 0 100 0 - 8.4-28.7 HA LYS 31 - HD3 LYS 24 far 0 86 0 - 8.4-19.1 HA ALA 16 - HD2 LYS 36 far 0 99 0 - 8.4-31.3 HA THR 25 - HD2 LYS 95 far 0 81 0 - 8.4-31.3 HA ALA 109 - HD3 LYS 24 far 0 93 0 - 8.5-43.2 HA GLN 61 - HD2 LYS 36 far 0 100 0 - 8.5-19.9 HA LEU 22 - HD2 LYS 36 far 0 85 0 - 8.5-27.7 HA THR 25 - HD3 LYS 95 far 0 86 0 - 8.5-30.6 HA ALA 109 - HD3 LYS 19 far 0 79 0 - 8.6-51.0 HA LYS 19 - HD3 LYS 36 far 0 95 0 - 8.7-31.8 HA ALA 109 - HD2 LYS 19 far 0 85 0 - 8.8-52.7 HA THR 18 - HD2 LYS 26 far 0 95 0 - 8.9-19.5 HA ALA 21 - HD2 LYS 31 far 0 86 0 - 8.9-21.4 HA LYS 19 - HD2 LYS 36 far 0 94 0 - 9.1-31.0 HA ALA 16 - HD3 LYS 26 far 0 93 0 - 9.1-23.9 HA ALA 108 - HD3 LYS 19 far 0 79 0 - 9.2-49.2 HA LEU 22 - HD3 LYS 31 far 0 76 0 - 9.2-20.7 HA ALA 21 - HD3 LYS 31 far 0 89 0 - 9.3-22.5 HA ALA 108 - HD3 LYS 31 far 0 92 0 - 9.5-32.1 HA ALA 108 - HD2 LYS 31 far 0 89 0 - 9.5-32.1 HA PHE 87 - HD2 LYS 95 far 0 72 0 - 9.6-13.0 HA SER 74 - HD2 LYS 95 far 0 82 0 - 9.6-12.5 HA ALA 12 - HD2 LYS 31 far 0 92 0 - 9.6-26.0 HA SER 74 - HD3 LYS 95 far 0 87 0 - 9.6-11.9 HA ALA 12 - HD3 LYS 31 far 0 95 0 - 9.7-27.0 HA ALA 108 - HD2 LYS 19 far 0 85 0 - 9.7-50.9 HA ALA 109 - HD2 LYS 24 far 0 99 0 - 9.7-44.1 HB THR 115 - HD3 LYS 26 far 0 89 0 - 9.8-33.3 HA ALA 110 - HD3 LYS 95 far 0 88 0 - 9.9-28.3 HA ALA 16 - HD2 LYS 26 far 0 92 0 - 9.9-24.2 HA LYS 36 - HD2 LYS 19 far 0 88 0 - 9.9-37.9 HA LEU 22 - HD3 LYS 36 far 0 85 0 - 9.9-28.3 HA ALA 15 - HD2 LYS 36 far 0 100 0 - 10.0-28.2 Violated in 0 structures by 0.00 A. Peak 1041 from aliabs.peaks (1.82, 1.66, 28.74 ppm; 3.43 A): 15 out of 80 assignments used, quality = 1.00: * HB2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.0 3.5=94, 1.8/1042=36...(80) HB2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-4.2 3.5=94, 1.8/1031=36...(80) HB3 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-4.2 3.5=92, 482/535=28...(39) HB3 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.5-4.2 3.5=92, 482/535=27...(39) HB3 LYS 26 + HD3 LYS 26 OK 95 95 100 99 2.0-4.1 3.5=94, 6251/5.7=21...(68) HB3 LYS 26 + HD2 LYS 26 OK 94 95 100 99 2.2-4.0 3.5=94, 6251/5.7=21...(68) HB3 LYS 31 + HD3 LYS 31 OK 93 94 100 99 2.1-3.8 3.5=95, 6332/6.2=16...(62) HB3 LYS 31 + HD2 LYS 31 OK 90 91 100 99 2.5-4.2 3.5=95, 6332/6.2=16...(62) HB3 LYS 19 + HD2 LYS 19 OK 80 83 100 97 2.2-3.7 3.9=66, 10697/10696=11...(71) HB3 LYS 19 + HD3 LYS 19 OK 75 77 100 97 2.1-3.7 3.9=66, 10697/10696=10...(71) HB ILE 32 + HD2 LYS 36 OK 48 99 50 97 2.1-6.8 2.1/10837=23, ~10901=19...(43) HB ILE 32 + HD3 LYS 36 OK 38 99 40 96 2.3-8.3 2.1/10837=22, ~10901=19...(44) HB3 LYS 31 + HD3 LYS 26 OK 32 94 40 84 3.4-17.4 629/2.9=5, 273/2.9=4...(75) HB3 LYS 19 + HD3 LYS 24 OK 21 91 35 65 3.5-15.3 824/3.0=2, 835/3.0=2...(29) HB3 LYS 31 + HD2 LYS 26 OK 21 94 25 87 2.9-17.3 629/2.9=5, 273/2.9=4...(79) HB ILE 32 - HD3 LYS 26 poor 19 94 20 - 4.0-17.6 HB3 LYS 19 - HD2 LYS 24 poor 18 97 25 74 2.0-16.0 824/3.0=2, 835/3.0=2...(32) HB3 LYS 24 - HD3 LYS 19 poor 16 82 20 - 2.0-16.3 HB ILE 32 - HD3 LYS 31 poor 15 93 25 67 4.1-9.2 3.0/10763=6, 10752/5.2=5...(33) HB3 LYS 26 - HD2 LYS 31 far 14 92 15 - 4.2-14.4 HB3 ARG 23 - HD3 LYS 26 poor 12 95 30 41 2.9-14.6 3.7/11449=6, 442/5.7=2...(7) HB3 ARG 23 - HD2 LYS 26 poor 11 95 30 40 2.9-14.2 442/5.7=2, 3.0/3938=2...(7) HB2 LYS 36 - HD3 LYS 26 far 10 95 10 - 4.4-27.1 HB3 LYS 26 - HD3 LYS 31 far 9 94 10 - 4.5-14.4 HB ILE 32 - HD2 LYS 26 far 9 94 10 - 4.1-18.3 HB3 LYS 24 - HD2 LYS 36 far 5 100 5 - 4.2-24.7 HB3 ARG 23 - HD3 LYS 36 far 5 100 5 - 4.9-23.1 HB3 LYS 26 - HD3 LYS 24 far 5 95 5 - 3.7-12.3 HB3 LYS 24 - HD2 LYS 19 far 4 87 5 - 3.7-15.7 HB3 LYS 31 - HD2 LYS 19 far 4 87 5 - 3.6-27.6 HB3 LYS 31 - HD3 LYS 19 far 4 81 5 - 4.1-28.8 HB2 LYS 36 - HD2 LYS 31 far 0 92 0 - 5.0-15.5 HB2 LYS 36 - HD2 LYS 26 far 0 95 0 - 5.1-27.9 HB3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.1-12.6 HB3 ARG 23 - HD3 LYS 24 far 0 96 0 - 5.2-9.3 HB3 LYS 24 - HD2 LYS 31 far 0 91 0 - 5.4-17.9 HB3 LYS 24 - HD3 LYS 36 far 0 100 0 - 5.5-25.2 HB ILE 32 - HD2 LYS 31 far 0 90 0 - 5.5-9.5 HB2 LYS 36 - HD2 LYS 24 far 0 100 0 - 5.7-27.6 HB3 ARG 23 - HD2 LYS 36 far 0 100 0 - 5.8-22.3 HB2 LYS 36 - HD3 LYS 31 far 0 95 0 - 5.9-14.3 HB VAL 93 - HD3 LYS 95 far 0 81 0 - 5.9-8.8 HB3 ARG 23 - HD2 LYS 24 far 0 100 0 - 5.9-9.2 HB3 LYS 19 - HD3 LYS 31 far 0 90 0 - 5.9-24.7 HB3 LYS 26 - HD3 LYS 36 far 0 100 0 - 6.0-22.1 HB3 LYS 19 - HD2 LYS 31 far 0 87 0 - 6.0-24.2 HB VAL 93 - HD2 LYS 95 far 0 76 0 - 6.0-10.4 HB3 ARG 23 - HD2 LYS 31 far 0 92 0 - 6.2-17.1 HB3 ARG 23 - HD3 LYS 31 far 0 95 0 - 6.2-17.9 HB3 LYS 24 - HD3 LYS 31 far 0 94 0 - 6.4-19.4 HB3 LYS 24 - HD2 LYS 26 far 0 95 0 - 6.4-12.7 HB3 LYS 19 - HD2 LYS 26 far 0 90 0 - 6.5-21.2 HB3 LYS 26 - HD2 LYS 36 far 0 100 0 - 6.5-21.1 HB3 LYS 19 - HD3 LYS 26 far 0 91 0 - 6.5-21.5 HB3 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.7-11.9 HB3 ARG 23 - HD2 LYS 19 far 0 88 0 - 6.8-14.2 HB3 LYS 31 - HD3 LYS 24 far 0 95 0 - 6.8-18.8 HB2 LYS 36 - HD3 LYS 24 far 0 96 0 - 6.9-28.2 HB3 LYS 26 - HD3 LYS 19 far 0 82 0 - 6.9-24.6 HB ILE 32 - HD3 LYS 24 far 0 94 0 - 7.1-19.3 HB3 LYS 31 - HD3 LYS 36 far 0 100 0 - 7.1-13.3 HB3 LYS 26 - HD2 LYS 19 far 0 88 0 - 7.3-22.9 HB3 LEU 122 - HD3 LYS 24 far 0 58 0 - 7.3-30.5 HB3 LYS 31 - HD2 LYS 24 far 0 100 0 - 7.6-17.9 HB3 LYS 24 - HD3 LYS 95 far 0 87 0 - 7.6-33.5 HB3 LYS 24 - HD3 LYS 26 far 0 95 0 - 7.7-11.2 HB3 LEU 122 - HD2 LYS 95 far 0 47 0 - 7.7-12.7 HB3 LEU 122 - HD3 LYS 95 far 0 51 0 - 7.8-11.4 HB ILE 32 - HD3 LYS 19 far 0 80 0 - 7.9-28.2 HB3 ARG 23 - HD3 LYS 19 far 0 82 0 - 8.0-15.9 HB ILE 32 - HD2 LYS 19 far 0 86 0 - 8.1-28.1 HB3 LYS 24 - HD2 LYS 95 far 0 82 0 - 8.2-34.6 HB3 LEU 122 - HD2 LYS 24 far 0 65 0 - 8.2-31.5 HB2 CYS 79 - HD3 LYS 19 far 0 73 0 - 8.3-39.4 HB ILE 32 - HD2 LYS 24 far 0 99 0 - 8.5-18.5 HB3 LEU 103 - HD3 LYS 26 far 0 66 0 - 8.8-25.3 HB2 CYS 79 - HD3 LYS 36 far 0 95 0 - 9.0-18.9 HB2 CYS 79 - HD2 LYS 19 far 0 79 0 - 9.2-37.9 HB2 LEU 100 - HD3 LYS 95 far 0 87 0 - 9.4-12.0 HB2 CYS 79 - HD2 LYS 36 far 0 94 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 1042 from aliabs.peaks (1.88, 1.66, 28.74 ppm; 4.00 A): 2 out of 31 assignments used, quality = 1.00: * HB3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.0-4.0 3.5=100 HB3 LYS 36 - HD2 LYS 24 far 5 100 5 - 4.4-26.5 HB3 LEU 48 - HD2 LYS 24 far 5 97 5 - 5.1-30.4 HB3 LYS 36 - HD3 LYS 26 far 5 95 5 - 5.3-26.4 HB3 LYS 36 - HD2 LYS 26 far 5 95 5 - 5.4-27.2 HB2 GLU 40 - HD2 LYS 24 far 5 92 5 - 4.0-32.8 HB2 GLU 40 - HD3 LYS 36 far 5 92 5 - 4.5-16.9 HB2 GLU 40 - HD2 LYS 36 far 5 92 5 - 5.4-16.0 HB2 GLU 40 - HD3 LYS 24 far 4 84 5 - 3.0-31.2 HB3 LEU 48 - HD3 LYS 24 far 0 91 0 - 5.5-29.0 HB3 LYS 36 - HD2 LYS 31 far 0 92 0 - 5.7-14.8 HB3 LYS 36 - HD3 LYS 24 far 0 96 0 - 5.8-27.0 HB3 LEU 48 - HD2 LYS 31 far 0 87 0 - 6.1-25.6 HB3 LEU 48 - HD3 LYS 36 far 0 97 0 - 6.4-16.2 HB3 LEU 48 - HD3 LYS 26 far 0 91 0 - 6.7-28.3 HB3 LEU 48 - HD2 LYS 19 far 0 83 0 - 6.8-36.4 HB3 LEU 48 - HD2 LYS 36 far 0 97 0 - 6.8-17.8 HB3 LYS 36 - HD3 LYS 31 far 0 95 0 - 6.9-14.6 HB2 GLU 40 - HD2 LYS 31 far 0 80 0 - 7.1-25.0 HB3 LEU 48 - HD3 LYS 31 far 0 90 0 - 7.1-24.4 HB3 LEU 48 - HD2 LYS 26 far 0 90 0 - 7.3-28.7 HB3 LEU 48 - HD3 LYS 19 far 0 77 0 - 7.5-37.8 HB2 ARG 90 - HD3 LYS 95 far 0 47 0 - 7.6-10.8 HB2 GLU 40 - HD2 LYS 19 far 0 76 0 - 7.7-41.4 HB2 GLU 40 - HD3 LYS 31 far 0 83 0 - 7.9-23.3 HB2 GLU 40 - HD2 LYS 26 far 0 84 0 - 7.9-32.4 HB2 GLU 40 - HD3 LYS 26 far 0 84 0 - 8.2-32.0 HB2 ARG 90 - HD2 LYS 95 far 0 43 0 - 8.6-11.8 HB2 GLU 40 - HD3 LYS 19 far 0 70 0 - 8.6-42.0 HB3 LEU 119 - HD3 LYS 24 far 0 90 0 - 9.3-33.5 Violated in 0 structures by 0.00 A. Peak 1043 from aliabs.peaks (1.38, 1.66, 28.74 ppm; 3.32 A): 14 out of 140 assignments used, quality = 1.00: * HG2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-2.9 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.3-3.0 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 91 91 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 87 87 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 85 85 100 100 2.2-3.0 2.9=100 HG2 LYS 19 + HD2 LYS 19 OK 83 83 100 100 2.5-3.0 3.0=100 HG3 LYS 95 + HD2 LYS 95 OK 81 81 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 79 79 100 100 2.2-2.9 2.9=100 HG2 LYS 19 + HD3 LYS 19 OK 77 77 100 100 2.4-3.0 3.0=100 QB ALA 28 - HD3 LYS 31 poor 19 94 20 - 2.9-9.7 HG2 LYS 19 - HD2 LYS 24 far 15 97 15 - 3.0-17.8 HG3 LYS 26 - HD3 LYS 31 far 14 95 15 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 far 14 95 15 - 3.8-22.6 HG2 LYS 19 - HD3 LYS 24 far 14 91 15 - 2.7-16.9 HG2 LYS 24 - HD2 LYS 19 far 13 87 15 - 3.2-16.1 QB ALA 12 - HD2 LYS 19 poor 13 65 20 - 2.2-15.1 HG2 LYS 24 - HD3 LYS 19 far 12 81 15 - 2.1-17.8 QB ALA 28 - HD2 LYS 24 far 10 100 10 - 4.4-13.3 HB2 LEU 42 - HD2 LYS 36 far 10 99 10 - 4.0-11.4 HG3 LYS 31 - HD2 LYS 26 far 9 94 10 - 4.8-17.0 QB ALA 12 - HD3 LYS 19 far 9 59 15 - 2.1-15.8 QB ALA 15 - HD2 LYS 19 far 9 88 10 - 3.7-12.8 QB ALA 15 - HD3 LYS 19 far 8 82 10 - 3.8-12.9 QB ALA 28 - HD2 LYS 31 poor 6 91 25 26 2.1-10.6 6304/10771=13, ~10771=8...(4) QB ALA 15 - HD2 LYS 24 far 5 100 5 - 4.1-17.3 HG3 LYS 95 - HD2 LYS 24 far 5 100 5 - 3.4-37.4 HG3 LYS 31 - HD3 LYS 36 far 5 100 5 - 4.6-13.4 HG3 LYS 31 - HD2 LYS 36 far 5 100 5 - 4.8-13.4 HB2 LEU 42 - HD3 LYS 36 far 5 99 5 - 3.8-11.6 HG2 LYS 95 - HD2 LYS 24 far 5 99 5 - 4.4-37.2 QB ALA 15 - HD3 LYS 24 far 5 96 5 - 3.5-17.1 HG3 LYS 26 - HD3 LYS 24 far 5 96 5 - 3.7-11.0 QB ALA 110 - HD3 LYS 26 far 5 95 5 - 2.4-29.3 QB ALA 108 - HD3 LYS 24 far 5 96 5 - 4.5-33.1 QB ALA 29 - HD3 LYS 26 far 5 95 5 - 4.5-11.4 QB ALA 110 - HD2 LYS 26 far 5 95 5 - 3.6-30.2 QB ALA 29 - HD2 LYS 26 far 5 95 5 - 4.7-11.1 QB ALA 28 - HD3 LYS 24 far 5 95 5 - 4.8-12.7 QB ALA 29 - HD3 LYS 31 far 5 94 5 - 3.0-9.8 HG3 LYS 95 - HD3 LYS 24 far 5 95 5 - 3.7-36.4 HG3 LYS 31 - HD3 LYS 26 far 5 94 5 - 3.0-16.8 QB ALA 109 - HD2 LYS 26 far 5 93 5 - 4.4-27.7 HG2 LYS 95 - HD3 LYS 24 far 5 93 5 - 4.1-36.2 QB ALA 29 - HD2 LYS 31 far 5 92 5 - 2.5-9.8 HG3 LYS 26 - HD2 LYS 31 far 5 92 5 - 3.6-15.7 QB ALA 15 - HD2 LYS 31 far 5 92 5 - 3.6-21.3 HG3 LYS 31 - HD2 LYS 19 far 4 87 5 - 4.6-25.3 QB ALA 16 - HD2 LYS 19 far 4 81 5 - 4.8-11.3 QB ALA 28 - HD3 LYS 19 far 4 81 5 - 4.6-21.9 HG3 LYS 31 - HD3 LYS 19 far 4 81 5 - 4.1-26.6 QB ALA 12 - HD3 LYS 24 far 4 73 5 - 4.3-18.1 QB ALA 108 - HD3 LYS 26 far 0 95 0 - 4.8-26.0 HG3 LYS 26 - HD2 LYS 36 far 0 100 0 - 4.8-22.9 QB ALA 16 - HD2 LYS 24 far 0 97 0 - 4.9-17.1 HG LEU 96 - HD2 LYS 95 far 0 67 0 - 5.0-10.2 QB ALA 109 - HD3 LYS 26 far 0 93 0 - 5.1-28.1 HG2 LYS 36 - HD3 LYS 26 far 0 95 0 - 5.1-24.7 QB ALA 108 - HD2 LYS 24 far 0 100 0 - 5.1-33.9 HG2 LYS 24 - HD3 LYS 26 far 0 95 0 - 5.2-11.4 QB ALA 29 - HD3 LYS 36 far 0 100 0 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 0 100 0 - 5.2-9.9 HG2 LYS 24 - HD2 LYS 36 far 0 100 0 - 5.3-25.5 QB ALA 16 - HD2 LYS 31 far 0 86 0 - 5.3-24.0 QB ALA 29 - HD2 LYS 24 far 0 100 0 - 5.3-13.3 HG3 LYS 26 - HD2 LYS 24 far 0 100 0 - 5.3-11.0 QB ALA 29 - HD3 LYS 24 far 0 95 0 - 5.3-12.6 QB ALA 16 - HD3 LYS 19 far 0 76 0 - 5.4-11.1 QB ALA 28 - HD2 LYS 26 far 0 94 0 - 5.4-9.5 QB ALA 12 - HD2 LYS 24 far 0 81 0 - 5.6-18.4 HB2 LEU 96 - HD2 LYS 95 far 0 83 0 - 5.6-9.4 QB ALA 16 - HD3 LYS 24 far 0 90 0 - 5.7-16.6 HG2 LYS 24 - HD2 LYS 26 far 0 94 0 - 5.8-11.1 HG LEU 96 - HD3 LYS 95 far 0 72 0 - 5.8-9.4 HG2 LYS 36 - HD2 LYS 26 far 0 95 0 - 5.9-25.5 HB2 LEU 96 - HD3 LYS 95 far 0 88 0 - 5.9-9.0 HG3 LYS 31 - HD3 LYS 24 far 0 95 0 - 5.9-16.5 QB ALA 28 - HD2 LYS 19 far 0 87 0 - 5.9-21.1 HG3 LYS 26 - HD3 LYS 36 far 0 100 0 - 5.9-23.8 HG3 LYS 31 - HD2 LYS 24 far 0 100 0 - 6.0-16.9 QB ALA 108 - HD2 LYS 26 far 0 95 0 - 6.0-26.8 QB ALA 28 - HD3 LYS 26 far 0 95 0 - 6.2-9.2 HG2 LYS 36 - HD2 LYS 31 far 0 92 0 - 6.2-13.5 QB ALA 16 - HD3 LYS 31 far 0 89 0 - 6.3-25.2 QB ALA 12 - HD3 LYS 31 far 0 72 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 100 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 79 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 69 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 95 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 97 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 88 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 87 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 94 0 - 7.0-17.3 HG2 LYS 24 - HD2 LYS 31 far 0 91 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 82 0 - 7.0-21.3 QB ALA 109 - HD2 LYS 19 far 0 85 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 88 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 95 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 100 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 90 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 95 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 96 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 88 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 92 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 88 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 82 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 91 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 82 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 93 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 96 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 100 0 - 8.2-25.1 QB ALA 108 - HD3 LYS 31 far 0 95 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 87 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 100 0 - 8.2-14.4 QB ALA 109 - HD2 LYS 24 far 0 99 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 100 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 90 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 82 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 89 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 90 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 82 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 82 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 88 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 82 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 92 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 88 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 80 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 97 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 93 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 81 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 85 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 80 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 96 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 1044 from aliabs.peaks (1.46, 1.66, 28.74 ppm; 3.03 A): 10 out of 66 assignments used, quality = 1.00: * HG3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 24 + HD2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HD3 LYS 31 OK 94 94 100 100 2.3-3.0 2.9=100 HG2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HD3 LYS 24 OK 90 90 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD2 LYS 19 OK 65 65 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HD3 LYS 19 OK 59 59 100 100 2.2-3.0 3.0=100 HG2 LYS 26 + HD3 LYS 26 OK 56 56 100 100 2.2-2.9 2.9=100 HG2 LYS 26 + HD2 LYS 26 OK 55 55 100 100 2.2-3.0 2.9=100 HG3 LYS 24 - HD2 LYS 19 poor 16 81 20 - 2.7-16.7 HG3 LYS 24 - HD3 LYS 19 poor 15 76 20 - 2.0-17.8 HG2 LYS 31 - HD3 LYS 26 far 10 95 10 - 4.2-17.6 HG3 LYS 19 - HD3 LYS 24 far 7 73 10 - 4.4-17.3 QB ALA 92 - HD3 LYS 95 far 7 47 15 - 3.6-6.8 QB ALA 92 - HD2 LYS 95 far 6 43 15 - 3.1-7.6 HG LEU 42 - HD2 LYS 36 far 6 63 10 - 3.1-12.7 HG3 LYS 36 - HD3 LYS 26 far 5 95 5 - 3.6-25.1 HG2 LYS 31 - HD2 LYS 26 far 5 95 5 - 3.5-18.0 HG3 LYS 19 - HD2 LYS 24 far 4 81 5 - 4.4-17.3 HG LEU 42 - HD3 LYS 36 far 3 63 5 - 3.9-14.1 HG2 LYS 26 - HD3 LYS 24 far 3 56 5 - 3.7-12.2 HG2 LYS 26 - HD3 LYS 31 far 3 55 5 - 4.2-16.2 QB ALA 52 - HD2 LYS 24 far 0 81 0 - 4.8-24.6 HG2 LYS 26 - HD2 LYS 31 far 0 52 0 - 5.0-16.2 HG2 LYS 26 - HD2 LYS 36 far 0 63 0 - 5.1-23.1 HG2 LYS 26 - HD2 LYS 24 far 0 63 0 - 5.1-12.8 HG3 LYS 36 - HD2 LYS 26 far 0 95 0 - 5.1-26.0 HG3 LYS 24 - HD2 LYS 36 far 0 96 0 - 5.1-23.7 QB ALA 52 - HD3 LYS 24 far 0 73 0 - 5.3-23.6 HG2 LYS 31 - HD3 LYS 36 far 0 100 0 - 5.3-13.7 HG2 LYS 31 - HD2 LYS 24 far 0 100 0 - 5.5-17.2 HG3 LYS 36 - HD2 LYS 24 far 0 100 0 - 5.5-26.2 HG3 LYS 36 - HD3 LYS 31 far 0 95 0 - 5.6-12.6 HG2 LYS 31 - HD3 LYS 19 far 0 82 0 - 5.6-27.7 HG2 LYS 31 - HD2 LYS 19 far 0 88 0 - 5.7-26.4 HG2 LYS 26 - HD3 LYS 36 far 0 63 0 - 5.7-24.0 HG3 LYS 36 - HD2 LYS 31 far 0 92 0 - 5.8-13.8 HG3 LYS 24 - HD3 LYS 26 far 0 90 0 - 5.9-11.9 HG2 LYS 31 - HD2 LYS 36 far 0 100 0 - 6.0-13.4 HG3 LYS 24 - HD2 LYS 26 far 0 89 0 - 6.0-12.8 HG2 LYS 31 - HD3 LYS 24 far 0 95 0 - 6.0-17.5 HG3 LYS 24 - HD3 LYS 36 far 0 97 0 - 6.1-24.1 HG3 LYS 19 - HD3 LYS 31 far 0 72 0 - 6.4-26.0 HG3 LYS 36 - HD3 LYS 24 far 0 96 0 - 6.5-26.8 QB ALA 52 - HD2 LYS 26 far 0 72 0 - 6.6-24.5 HG3 LYS 24 - HD2 LYS 31 far 0 86 0 - 6.7-17.1 HG3 LYS 19 - HD2 LYS 31 far 0 69 0 - 6.8-25.5 HG3 LYS 24 - HD3 LYS 95 far 0 81 0 - 7.8-36.0 QB ALA 52 - HD2 LYS 31 far 0 69 0 - 7.8-23.8 HG3 LYS 19 - HD3 LYS 26 far 0 73 0 - 7.8-23.0 QB ALA 52 - HD3 LYS 26 far 0 73 0 - 7.9-24.2 HG3 LYS 24 - HD3 LYS 31 far 0 89 0 - 8.0-18.6 HG3 LYS 24 - HD2 LYS 95 far 0 76 0 - 8.1-36.7 HG3 LYS 19 - HD2 LYS 26 far 0 72 0 - 8.1-22.8 QB ALA 52 - HD2 LYS 36 far 0 80 0 - 8.4-17.8 QB ALA 52 - HD2 LYS 19 far 0 65 0 - 8.4-30.3 QB ALA 52 - HD3 LYS 31 far 0 72 0 - 8.6-22.9 HG2 LYS 26 - HD3 LYS 19 far 0 45 0 - 8.9-25.5 HG2 LYS 26 - HD2 LYS 19 far 0 49 0 - 8.9-23.8 QB ALA 52 - HD3 LYS 36 far 0 81 0 - 9.0-17.1 QB ALA 52 - HD3 LYS 19 far 0 59 0 - 9.2-30.7 QB ALA 92 - HD3 LYS 24 far 0 53 0 - 9.4-27.6 QB ALA 92 - HD2 LYS 24 far 0 60 0 - 9.5-27.4 HG3 LYS 36 - HD2 LYS 19 far 0 88 0 - 9.7-35.2 HG3 LYS 36 - HD3 LYS 19 far 0 82 0 - 9.7-35.0 Violated in 0 structures by 0.00 A. Peak 1045 from aliabs.peaks (1.66, 1.66, 28.74 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 95 95 - 100 HD2 LYS 26 + HD2 LYS 26 OK 95 95 - 100 HD3 LYS 31 + HD3 LYS 31 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 92 92 - 100 HD2 LYS 31 + HD2 LYS 31 OK 89 89 - 100 HD3 LYS 95 + HD3 LYS 95 OK 87 87 - 100 HD2 LYS 19 + HD2 LYS 19 OK 80 80 - 100 HD2 LYS 95 + HD2 LYS 95 OK 79 79 - 100 HD3 LYS 19 + HD3 LYS 19 OK 72 72 - 100 Reference assignment not found: HD2 LYS 36 - HD3 LYS 36 Peak 1046 from aliabs.peaks (1.66, 1.66, 28.74 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 * HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 95 95 - 100 HD2 LYS 26 + HD2 LYS 26 OK 95 95 - 100 HD3 LYS 31 + HD3 LYS 31 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 93 93 - 100 HD2 LYS 31 + HD2 LYS 31 OK 90 90 - 100 HD3 LYS 95 + HD3 LYS 95 OK 88 88 - 100 HD2 LYS 19 + HD2 LYS 19 OK 81 81 - 100 HD2 LYS 95 + HD2 LYS 95 OK 80 80 - 100 HD3 LYS 19 + HD3 LYS 19 OK 73 73 - 100 Peak 1047 from aliabs.peaks (2.96, 1.66, 28.74 ppm; 3.40 A): 20 out of 110 assignments used, quality = 1.00: * HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 92 92 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.3-3.0 2.9=100 HE3 LYS 26 - HD2 LYS 36 poor 20 100 20 - 2.5-24.7 HE3 LYS 36 - HD3 LYS 26 poor 19 95 20 - 3.8-24.9 HE2 LYS 24 - HD3 LYS 19 poor 16 79 20 - 2.7-18.2 HE2 LYS 36 - HD3 LYS 26 far 14 95 15 - 2.9-24.6 HE3 LYS 36 - HD2 LYS 26 far 14 95 15 - 3.3-25.8 HE2 LYS 24 - HD2 LYS 19 far 13 85 15 - 2.6-17.0 HB2 CYS 45 - HD3 LYS 36 far 11 71 15 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 far 11 71 15 - 4.5-10.8 HE2 LYS 31 - HD2 LYS 36 far 10 100 10 - 3.1-14.2 HE3 LYS 26 - HD3 LYS 36 far 10 100 10 - 3.6-25.8 HE2 LYS 31 - HD3 LYS 36 far 10 100 10 - 4.3-13.8 HE3 LYS 19 - HD2 LYS 24 far 10 100 10 - 3.9-18.3 HE2 LYS 36 - HD2 LYS 26 far 10 95 10 - 1.9-25.5 HE2 LYS 19 - HD3 LYS 24 far 9 95 10 - 4.2-18.5 HE3 LYS 24 - HD2 LYS 19 far 8 79 10 - 2.9-18.4 HE3 LYS 24 - HD3 LYS 19 far 7 73 10 - 2.2-19.0 HE2 LYS 26 - HD2 LYS 36 far 5 100 5 - 3.3-25.2 HE2 LYS 26 - HD3 LYS 36 far 5 100 5 - 4.7-26.1 HE3 LYS 31 - HD2 LYS 36 far 5 99 5 - 3.6-14.4 HE3 LYS 31 - HD3 LYS 36 far 5 99 5 - 4.8-13.8 HE2 LYS 31 - HD3 LYS 26 far 5 95 5 - 4.2-14.6 HE2 LYS 31 - HD2 LYS 26 far 5 95 5 - 3.3-15.6 HE3 LYS 19 - HD3 LYS 24 far 5 95 5 - 3.7-17.8 HE2 LYS 36 - HD3 LYS 31 far 5 95 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 5 94 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 95 5 - 4.6-18.1 HE3 LYS 31 - HD3 LYS 26 far 5 93 5 - 4.6-14.9 HE3 LYS 31 - HD2 LYS 26 far 5 93 5 - 4.9-15.3 HE2 LYS 24 - HD3 LYS 31 far 5 92 5 - 4.7-18.8 HE2 LYS 36 - HD2 LYS 31 far 5 92 5 - 4.6-13.1 HE3 LYS 24 - HD3 LYS 31 far 0 86 0 - 5.0-18.2 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 100 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 100 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 95 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 81 0 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 0 79 0 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 92 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 96 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 95 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 89 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 88 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 58 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 73 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 83 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 85 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 67 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 82 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 89 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 63 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 62 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 93 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 99 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 93 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 96 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 59 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 93 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 94 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 63 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 80 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 87 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 63 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 94 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 88 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 82 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 94 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 65 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 95 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 71 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 96 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 88 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 82 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 1048 from aliabs.peaks (2.96, 1.66, 28.74 ppm; 3.40 A): 20 out of 110 assignments used, quality = 1.00: HE2 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 36 + HD3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 36 + HD2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.4-3.0 3.0=100 HE3 LYS 26 + HD3 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 26 + HD2 LYS 26 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 31 + HD3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 95 95 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 93 93 100 100 2.3-3.0 3.0=100 HE3 LYS 31 + HD3 LYS 31 OK 92 92 100 100 2.4-3.0 3.0=100 HE2 LYS 31 + HD2 LYS 31 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 31 + HD2 LYS 31 OK 89 89 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 87 87 100 100 2.2-3.0 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD2 LYS 19 OK 87 87 100 100 2.4-3.0 2.9=100 HE2 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.2-3.0 2.9=100 HE3 LYS 19 + HD3 LYS 19 OK 81 81 100 100 2.3-3.0 2.9=100 HE3 LYS 26 - HD2 LYS 36 poor 20 100 20 - 2.5-24.7 HE3 LYS 36 - HD3 LYS 26 poor 19 95 20 - 3.8-24.9 HE2 LYS 24 - HD3 LYS 19 poor 16 79 20 - 2.7-18.2 HE2 LYS 36 - HD3 LYS 26 far 14 95 15 - 2.9-24.6 HE3 LYS 36 - HD2 LYS 26 far 14 95 15 - 3.3-25.8 HE2 LYS 24 - HD2 LYS 19 far 13 85 15 - 2.6-17.0 HB2 CYS 45 - HD3 LYS 36 far 11 71 15 - 4.1-11.2 HB2 CYS 45 - HD2 LYS 36 far 11 71 15 - 4.5-10.8 HE2 LYS 31 - HD2 LYS 36 far 10 100 10 - 3.1-14.2 HE3 LYS 26 - HD3 LYS 36 far 10 100 10 - 3.6-25.8 HE2 LYS 31 - HD3 LYS 36 far 10 100 10 - 4.3-13.8 HE3 LYS 19 - HD2 LYS 24 far 10 100 10 - 3.9-18.3 HE2 LYS 36 - HD2 LYS 26 far 10 95 10 - 1.9-25.5 HE2 LYS 19 - HD3 LYS 24 far 9 95 10 - 4.2-18.5 HE3 LYS 24 - HD2 LYS 19 far 8 79 10 - 2.9-18.4 HE3 LYS 24 - HD3 LYS 19 far 7 73 10 - 2.2-19.0 HE2 LYS 26 - HD2 LYS 36 far 5 100 5 - 3.3-25.2 HE2 LYS 26 - HD3 LYS 36 far 5 100 5 - 4.7-26.1 HE3 LYS 31 - HD2 LYS 36 far 5 99 5 - 3.6-14.4 HE3 LYS 31 - HD3 LYS 36 far 5 99 5 - 4.8-13.8 HE2 LYS 31 - HD3 LYS 26 far 5 95 5 - 4.2-14.6 HE2 LYS 31 - HD2 LYS 26 far 5 95 5 - 3.3-15.6 HE3 LYS 19 - HD3 LYS 24 far 5 95 5 - 3.7-17.8 HE2 LYS 36 - HD3 LYS 31 far 5 95 5 - 4.3-12.0 HE3 LYS 26 - HD3 LYS 31 far 5 94 5 - 3.6-17.7 HE2 LYS 26 - HD3 LYS 31 far 5 95 5 - 4.6-18.1 HE3 LYS 31 - HD3 LYS 26 far 5 93 5 - 4.6-14.9 HE3 LYS 31 - HD2 LYS 26 far 5 93 5 - 4.9-15.3 HE2 LYS 24 - HD3 LYS 31 far 5 92 5 - 4.7-18.8 HE2 LYS 36 - HD2 LYS 31 far 5 92 5 - 4.6-13.1 HE3 LYS 24 - HD3 LYS 31 far 0 86 0 - 5.0-18.2 HE3 LYS 26 - HD2 LYS 31 far 0 92 0 - 5.2-17.8 HE2 LYS 36 - HD2 LYS 24 far 0 100 0 - 5.2-24.7 HE2 LYS 19 - HD2 LYS 24 far 0 100 0 - 5.2-19.0 HE3 LYS 36 - HD3 LYS 31 far 0 95 0 - 5.3-12.3 HB3 ASN 121 - HD3 LYS 24 far 0 81 0 - 5.3-34.8 HE3 LYS 24 - HD3 LYS 95 far 0 79 0 - 5.3-36.2 HE3 LYS 36 - HD2 LYS 31 far 0 92 0 - 5.7-13.3 HE2 LYS 36 - HD3 LYS 24 far 0 96 0 - 5.7-25.1 HE3 LYS 26 - HD3 LYS 24 far 0 95 0 - 5.7-13.3 HE2 LYS 24 - HD2 LYS 31 far 0 89 0 - 5.9-17.4 HE2 LYS 26 - HD2 LYS 31 far 0 92 0 - 6.0-18.3 HE2 LYS 24 - HD2 LYS 36 far 0 99 0 - 6.3-25.9 HB3 ASN 121 - HD3 LYS 95 far 0 72 0 - 6.3-11.9 HE2 LYS 31 - HD2 LYS 19 far 0 88 0 - 6.4-27.0 HB3 ASN 116 - HD3 LYS 24 far 0 58 0 - 6.5-36.1 HE3 LYS 24 - HD2 LYS 95 far 0 73 0 - 6.5-37.7 HE3 LYS 24 - HD2 LYS 31 far 0 83 0 - 6.5-18.3 HE2 LYS 26 - HD3 LYS 24 far 0 96 0 - 6.6-12.2 HE2 LYS 24 - HD3 LYS 95 far 0 85 0 - 6.6-34.7 HB3 ASN 121 - HD2 LYS 95 far 0 67 0 - 6.6-11.6 HE2 LYS 31 - HD3 LYS 19 far 0 82 0 - 6.7-28.5 HB3 ASN 121 - HD2 LYS 24 far 0 89 0 - 6.7-35.7 HB2 CYS 45 - HD3 LYS 26 far 0 63 0 - 6.8-26.2 HB2 CYS 45 - HD3 LYS 31 far 0 62 0 - 6.8-18.5 HE2 LYS 26 - HD2 LYS 24 far 0 100 0 - 6.9-13.2 HE2 LYS 24 - HD2 LYS 26 far 0 93 0 - 7.0-12.4 HE3 LYS 36 - HD2 LYS 24 far 0 100 0 - 7.0-25.6 HE3 LYS 26 - HD2 LYS 24 far 0 100 0 - 7.0-13.6 HE2 LYS 24 - HD3 LYS 36 far 0 99 0 - 7.0-26.2 HE2 LYS 24 - HD3 LYS 26 far 0 93 0 - 7.2-13.0 HE3 LYS 31 - HD2 LYS 24 far 0 99 0 - 7.4-18.2 HE3 LYS 36 - HD3 LYS 24 far 0 96 0 - 7.4-26.2 HB2 CYS 45 - HD2 LYS 31 far 0 59 0 - 7.5-19.9 HE3 LYS 31 - HD3 LYS 19 far 0 79 0 - 7.5-29.3 HE3 LYS 31 - HD3 LYS 24 far 0 93 0 - 7.5-19.1 HE3 LYS 24 - HD2 LYS 36 far 0 94 0 - 7.6-25.8 HB2 CYS 45 - HD3 LYS 24 far 0 63 0 - 7.6-23.9 HE2 LYS 24 - HD2 LYS 95 far 0 80 0 - 7.6-36.1 HE3 LYS 31 - HD2 LYS 19 far 0 85 0 - 7.6-27.9 HE3 LYS 24 - HD2 LYS 26 far 0 87 0 - 7.6-12.5 HB2 CYS 45 - HD2 LYS 26 far 0 63 0 - 7.7-26.6 HE3 LYS 19 - HD3 LYS 31 far 0 94 0 - 7.7-25.4 HE3 LYS 36 - HD2 LYS 19 far 0 88 0 - 7.8-34.4 HE3 LYS 24 - HD3 LYS 26 far 0 87 0 - 7.8-13.8 HE3 LYS 36 - HD3 LYS 19 far 0 82 0 - 7.9-34.2 HE2 LYS 19 - HD3 LYS 31 far 0 94 0 - 7.9-25.4 HB3 ASN 116 - HD2 LYS 24 far 0 65 0 - 8.1-36.9 HE3 LYS 24 - HD3 LYS 36 far 0 95 0 - 8.4-26.0 HE3 LYS 19 - HD2 LYS 31 far 0 91 0 - 8.6-25.1 HE2 LYS 31 - HD2 LYS 24 far 0 100 0 - 8.7-18.2 HB2 CYS 45 - HD2 LYS 24 far 0 71 0 - 8.8-25.4 HE2 LYS 31 - HD3 LYS 24 far 0 96 0 - 8.9-18.8 HE2 LYS 19 - HD2 LYS 31 far 0 91 0 - 9.0-24.6 HE2 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.0-25.6 HE2 LYS 36 - HD2 LYS 19 far 0 88 0 - 9.2-34.1 HE2 LYS 26 - HD2 LYS 19 far 0 88 0 - 9.2-23.9 HE2 LYS 36 - HD3 LYS 19 far 0 82 0 - 9.4-33.8 HE3 LYS 19 - HD3 LYS 26 far 0 95 0 - 9.7-24.1 HE3 LYS 26 - HD3 LYS 19 far 0 82 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 1051 from aliabs.peaks (4.28, 2.96, 41.80 ppm; 5.87 A): 26 out of 149 assignments used, quality = 1.00: HA LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.9-6.5 6.0=95, 3.0/1064=41...(25) * HA LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.9-6.2 6.0=95, 3.0/1064=41...(25) HA LYS 19 + HE3 LYS 19 OK 92 93 100 99 2.0-5.4 6.4=78, 271/3.8=25...(34) HA LYS 19 + HE2 LYS 19 OK 92 93 100 99 3.2-5.7 6.4=78, 271/3.8=25...(34) HA LYS 31 + HE2 LYS 31 OK 92 93 100 99 1.9-5.7 6.5=75, 822/3.7=27...(29) HA LYS 26 + HE2 LYS 26 OK 88 90 100 98 2.7-6.4 6.6=71, 6249/7.1=27...(23) HA LYS 26 + HE3 LYS 26 OK 88 90 100 98 3.4-6.0 6.6=71, 6249/7.1=27...(23) HA LYS 31 + HE3 LYS 31 OK 87 88 100 99 2.5-5.6 6.5=75, 822/3.7=27...(28) HA THR 18 + HE3 LYS 19 OK 72 99 80 91 4.3-9.2 10686/3.8=64, 226/7.3=49...(8) HA THR 25 + HE2 LYS 24 OK 69 96 75 96 2.0-8.6 11128/5.1=40, 9587=28...(16) HA THR 18 + HE2 LYS 19 OK 59 99 65 91 2.7-8.8 10686/3.8=64, 226/7.3=49...(8) HA THR 25 + HE2 LYS 26 OK 57 99 60 95 2.9-9.2 582/7.1=54, 11128/4.8=34...(13) HA PHE 87 + HE3 LYS 86 OK 55 60 95 96 3.9-7.4 4.9/11332=47...(11) HA THR 25 + HE3 LYS 26 OK 47 99 50 95 2.2-9.3 582/7.1=54, 11128/4.8=34...(13) HA THR 25 + HE3 LYS 24 OK 47 82 60 96 2.3-9.0 11128/5.1=40...(14) HA ARG 23 + HE3 LYS 26 OK 37 99 55 68 2.0-13.5 3.8/11618=7, 424/7.1=3...(65) HA ARG 23 + HE2 LYS 26 OK 37 99 55 67 2.7-12.5 3.8/11618=10, 424/7.1=3...(55) HA LYS 31 + HE3 LYS 26 OK 37 93 40 98 5.3-18.9 3.0/6338=8, ~6338=6...(173) HA LYS 19 + HE3 LYS 24 OK 35 75 50 93 2.9-16.7 822/4.0=5, 793/4.0=5...(146) HA LYS 19 + HE2 LYS 24 OK 34 89 40 95 1.9-16.1 822/4.0=5, 793/4.0=5...(166) HA ARG 23 + HE2 LYS 24 OK 33 96 50 70 6.3-9.4 424/7.4=45, 1018/4.0=10...(15) HA LYS 31 + HE2 LYS 26 OK 32 93 35 98 5.0-18.9 3.0/6338=8, ~6338=6...(172) HA LYS 26 + HE3 LYS 31 OK 32 85 40 94 4.4-13.1 790/4.8=8, 822/3.7=6...(142) HA LYS 26 + HE2 LYS 31 OK 29 90 35 93 5.0-12.6 790/4.8=8, 822/3.7=6...(141) HA LYS 36 + HE3 LYS 26 OK 28 100 35 79 3.5-29.4 3.0/1004=11, ~1004=9...(44) HA LYS 36 + HE2 LYS 26 OK 20 100 25 80 3.2-29.7 3.0/1004=11, ~1004=9...(53) HA THR 25 - HE2 LYS 31 poor 20 99 20 - 3.1-14.8 HA ARG 23 - HE3 LYS 24 poor 20 82 35 68 5.5-9.3 424/7.4=45, 1018/4.0=10...(13) HA LYS 26 - HE3 LYS 36 poor 18 90 20 - 6.7-22.7 HA LEU 22 - HE2 LYS 26 poor 17 85 20 - 4.0-14.7 HA ALA 15 - HE2 LYS 31 far 15 100 15 - 5.4-27.5 HA ARG 23 - HE3 LYS 36 far 15 99 15 - 6.1-25.9 HA LYS 31 - HE3 LYS 36 poor 15 93 50 32 4.8-12.9 3.0/6337=3...(6) HA ALA 16 - HE2 LYS 19 far 15 97 15 - 5.1-12.4 HA THR 25 - HE3 LYS 31 far 14 96 15 - 2.8-14.8 HA LYS 31 - HE2 LYS 36 poor 14 93 40 37 5.5-13.1 10753/9008=3, ~6337=3...(7) HA LEU 22 - HE2 LYS 24 poor 12 79 50 31 3.0-11.0 11967/4.0=11, 6212/7.4=9...(7) HA LYS 26 - HE3 LYS 24 far 11 70 15 - 6.6-11.5 HA THR 18 - HE2 LYS 31 far 10 100 10 - 5.9-25.3 HA THR 25 - HE2 LYS 36 far 10 99 10 - 4.9-23.1 HA THR 25 - HE3 LYS 36 far 10 99 10 - 5.5-23.8 HA ARG 23 - HE2 LYS 36 far 10 99 10 - 5.7-25.3 HA ARG 23 - HE2 LYS 31 far 10 99 10 - 6.0-17.4 HA LYS 36 - HE2 LYS 24 far 10 97 10 - 6.4-29.6 HA THR 18 - HE3 LYS 31 far 10 97 10 - 5.3-25.8 HA ALA 21 - HE2 LYS 26 far 10 96 10 - 6.8-17.6 HA ALA 15 - HE2 LYS 24 far 10 96 10 - 3.2-24.3 HA ALA 15 - HE3 LYS 31 far 10 96 10 - 5.9-26.5 HA GLN 61 - HE3 LYS 31 far 10 96 10 - 6.4-25.1 HA ARG 23 - HE3 LYS 31 far 10 96 10 - 7.1-18.5 HA ALA 16 - HE3 LYS 31 far 9 94 10 - 5.0-28.0 HA LEU 22 - HE3 LYS 24 poor 9 65 45 31 1.9-11.8 11967/4.0=11, 6212/7.4=9...(8) HA LYS 26 - HE2 LYS 36 far 9 90 10 - 5.2-22.3 HA LYS 26 - HE2 LYS 24 far 8 85 10 - 5.6-11.4 HA LEU 22 - HE3 LYS 26 far 8 84 10 - 5.2-15.2 HA GLN 61 - HE2 LYS 26 far 5 100 5 - 2.5-26.5 HA THR 18 - HE3 LYS 36 far 5 100 5 - 5.0-33.6 HA GLN 61 - HE3 LYS 26 far 5 99 5 - 3.6-26.6 HA ALA 110 - HE3 LYS 26 far 5 100 5 - 5.9-33.9 HA THR 18 - HE2 LYS 36 far 5 100 5 - 6.5-32.9 HA LYS 36 - HE2 LYS 31 far 5 100 5 - 7.3-13.7 HA GLN 61 - HE2 LYS 31 far 5 100 5 - 6.6-24.3 HA ALA 109 - HE3 LYS 26 far 5 99 5 - 4.2-32.2 HA ALA 109 - HE2 LYS 26 far 5 99 5 - 5.8-33.8 HA ALA 108 - HE3 LYS 26 far 5 99 5 - 4.9-30.3 HA ALA 108 - HE2 LYS 26 far 5 99 5 - 6.6-31.8 HA ALA 16 - HE3 LYS 36 far 5 99 5 - 6.3-32.1 HA ALA 16 - HE2 LYS 31 far 5 99 5 - 6.3-27.2 HA ALA 109 - HE3 LYS 19 far 5 98 5 - 6.5-51.9 HA ALA 108 - HE3 LYS 19 far 5 98 5 - 7.1-50.0 HA LYS 36 - HE3 LYS 31 far 5 97 5 - 7.1-15.1 HA ALA 21 - HE3 LYS 36 far 5 97 5 - 6.5-28.1 HA ALA 21 - HE2 LYS 36 far 5 97 5 - 7.2-27.3 HA GLN 61 - HE2 LYS 24 far 5 96 5 - 5.8-25.5 HA ALA 108 - HE3 LYS 31 far 5 95 5 - 6.8-33.7 HA ALA 16 - HE2 LYS 24 far 5 94 5 - 5.1-21.6 HA LYS 19 - HE2 LYS 31 far 5 94 5 - 7.4-25.6 HA LYS 31 - HE2 LYS 19 far 5 92 5 - 5.1-27.7 HA LYS 31 - HE3 LYS 19 far 5 92 5 - 5.6-27.5 HA ALA 21 - HE3 LYS 31 far 5 92 5 - 7.2-21.7 HA LYS 19 - HE3 LYS 31 far 4 89 5 - 6.8-26.4 HA LYS 31 - HE2 LYS 24 far 4 88 5 - 6.0-19.7 HA LYS 36 - HE3 LYS 24 far 4 84 5 - 7.3-29.3 HA ALA 15 - HE3 LYS 24 far 4 83 5 - 2.7-24.2 HA GLN 61 - HE3 LYS 24 far 4 83 5 - 6.3-26.7 HA ALA 16 - HE3 LYS 24 far 4 80 5 - 5.5-21.7 HA LYS 31 - HE3 LYS 24 far 4 73 5 - 7.3-20.2 HA ALA 21 - HE2 LYS 24 lone 1 92 40 3 2.6-12.5 HA THR 18 - HE2 LYS 24 lone 1 97 25 5 4.8-17.4 10686/318=1 HA ALA 21 - HE3 LYS 24 lone 1 77 40 3 2.0-13.7 HA ALA 12 - HE2 LYS 19 lone 1 99 35 3 3.7-20.1 HA THR 18 - HE3 LYS 24 lone 1 83 25 4 4.1-17.6 HA ALA 12 - HE3 LYS 19 lone 1 99 25 3 4.5-19.2 HA ALA 15 - HE2 LYS 19 lone 1 99 35 2 2.2-14.3 HA ALA 15 - HE3 LYS 19 lone 1 99 25 2 2.0-14.9 HA ALA 16 - HE3 LYS 19 lone 1 97 25 2 4.9-11.6 HA THR 25 - HE2 LYS 19 far 0 98 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 100 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 96 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 98 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 98 0 - 7.5-20.7 HA ALA 108 - HE2 LYS 31 far 0 99 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 99 0 - 7.5-31.5 HA LYS 19 - HE2 LYS 26 far 0 94 0 - 7.6-22.7 HA TYR 76 - HE3 LYS 86 far 0 46 0 - 7.7-11.0 HA ALA 21 - HE3 LYS 26 far 0 96 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 98 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 99 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 95 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 84 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 83 0 - 8.0-13.0 HA TYR 76 - HE2 LYS 36 far 0 76 0 - 8.1-19.5 HA ALA 110 - HE3 LYS 19 far 0 99 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 89 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 100 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 95 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 97 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 85 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 83 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 79 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 100 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 69 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 100 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 89 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 95 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 95 0 - 8.9-40.0 HA LYS 19 - HE3 LYS 26 far 0 94 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 100 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 100 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 95 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 99 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 81 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 99 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 99 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 99 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 100 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 100 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 100 0 - 9.6-27.2 HA TYR 76 - HE3 LYS 36 far 0 76 0 - 9.7-19.3 HA LYS 19 - HE2 LYS 36 far 0 95 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 95 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 100 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 100 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 81 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 97 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 85 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 96 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 1052 from aliabs.peaks (1.82, 2.96, 41.80 ppm; 5.89 A): 29 out of 73 assignments used, quality = 1.00: HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 * HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.0-5.1 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.0-5.0 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-4.8 5.1=100 HB ILE 32 + HE2 LYS 36 OK 94 99 95 100 3.4-7.6 ~10837=29, 10833/3.0=28...(57) HB ILE 32 + HE3 LYS 36 OK 89 99 90 100 2.0-7.9 ~10837=29, 10833/3.0=28...(56) HB3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.8-5.3 5.1=100 HB ILE 32 + HE2 LYS 31 OK 61 99 65 94 4.3-9.5 10825=13, 3.2/10804=13...(61) HB ILE 32 + HE2 LYS 26 OK 57 99 60 95 4.8-19.8 2.1/10840=15, ~10840=14...(62) HB ILE 32 + HE3 LYS 26 OK 57 99 60 95 4.6-19.4 2.1/10840=15, ~10840=14...(62) HB3 LYS 31 + HE2 LYS 26 OK 53 100 55 97 2.2-19.2 629/3.6=9, 6332/6338=7...(145) HB3 LYS 31 + HE3 LYS 26 OK 53 99 55 97 3.3-19.0 629/3.6=9, 6332/6338=7...(142) HB ILE 32 + HE3 LYS 31 OK 50 96 55 95 4.6-10.3 10825/1.8=12, 902/7.1=12...(61) HB2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 3.0-3.5 4.9=100 HB2 LYS 36 + HE3 LYS 26 OK 37 100 45 82 2.6-28.9 1.8/1003=13, ~1004=11...(30) HB3 LYS 26 + HE2 LYS 31 OK 36 100 40 91 3.9-12.8 1019/3.7=7, 835/3.7=6...(117) HB3 LYS 26 + HE3 LYS 31 OK 35 97 40 91 4.4-13.0 1019/3.7=7, 835/3.7=6...(113) HB2 LYS 36 + HE2 LYS 26 OK 35 100 40 86 2.4-29.4 1.8/1004=13, ~1004=11...(46) HB3 ARG 23 + HE2 LYS 26 OK 33 100 50 67 3.0-13.9 3.0/11618=11, ~11618=7...(58) HB3 ARG 23 + HE3 LYS 26 OK 33 100 50 66 2.6-15.2 ~11618=10, 3.0/11618=8...(57) HB3 LYS 19 + HE3 LYS 24 OK 33 78 45 93 3.9-16.9 3.0/11770=4, 526/4.0=4...(133) HB3 LYS 19 + HE2 LYS 24 OK 30 93 35 93 2.6-16.3 3.0/11770=4, 526/4.0=4...(130) HB3 LYS 24 + HE3 LYS 19 OK 24 99 35 68 4.6-17.1 2.9/1025=2, 624=2...(58) HB3 LYS 24 + HE2 LYS 19 OK 22 99 30 73 3.5-17.2 1.8/613=2, 2.9/1025=2...(69) HB3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 4.2-22.7 HB2 LYS 36 - HE2 LYS 31 poor 20 100 20 - 6.2-12.8 HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 LYS 31 - HE2 LYS 36 poor 20 100 20 - 5.3-14.3 HB3 ARG 23 - HE3 LYS 24 poor 17 84 20 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 36 far 15 100 15 - 3.5-23.5 HB3 ARG 23 - HE2 LYS 31 far 15 100 15 - 6.3-18.9 HB2 LYS 36 - HE3 LYS 31 far 15 97 15 - 5.6-14.2 HB3 LYS 31 - HE2 LYS 24 far 14 96 15 - 6.0-19.3 HB3 LYS 24 - HE2 LYS 36 far 10 100 10 - 3.5-25.9 HB3 ARG 23 - HE3 LYS 36 far 10 100 10 - 4.4-24.0 HB3 ARG 23 - HE3 LYS 31 far 10 97 10 - 5.4-20.0 HB3 LYS 26 - HE2 LYS 24 far 10 97 10 - 5.2-13.2 HB3 ARG 23 - HE2 LYS 24 far 10 97 10 - 7.2-10.3 HB3 LYS 26 - HE3 LYS 24 far 8 84 10 - 6.0-13.6 HB3 LYS 31 - HE3 LYS 36 poor 8 100 30 27 4.9-14.1 6332/6337=3...(3) HB2 CYS 79 - HE3 LYS 86 far 6 62 10 - 6.5-10.0 HB3 LYS 26 - HE3 LYS 36 poor 5 100 25 21 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 31 - HE2 LYS 19 far 5 99 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 19 far 5 99 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 26 far 5 97 5 - 6.1-23.7 HB3 LYS 19 - HE2 LYS 31 far 5 97 5 - 6.5-26.1 HB2 LYS 36 - HE2 LYS 24 far 5 97 5 - 6.1-29.9 HB ILE 32 - HE2 LYS 24 far 5 96 5 - 7.3-20.7 HB3 LYS 24 - HE2 LYS 26 lone 4 100 35 12 5.5-13.1 985/9587=1 HB3 LYS 31 - HE3 LYS 24 far 4 83 5 - 6.7-20.0 HB3 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 84 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 97 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 97 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 67 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 64 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 82 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 73 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 48 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 70 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 97 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 73 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 1053 from aliabs.peaks (1.88, 2.96, 41.80 ppm; 6.08 A): 4 out of 30 assignments used, quality = 1.00: HB3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 1.9-4.6 4.9=100 * HB3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-4.8 4.9=100 HB3 LYS 36 + HE2 LYS 26 OK 49 100 55 89 2.9-28.6 1004=16, 1003/1.8=14...(87) HB3 LYS 36 + HE3 LYS 26 OK 44 100 50 87 3.1-28.2 1003=15, 1004/1.8=14...(68) HB3 LYS 36 - HE2 LYS 31 poor 20 100 20 - 5.5-13.6 HB3 LYS 36 - HE3 LYS 31 far 15 97 15 - 5.0-14.6 HB2 ARG 90 - HE3 LYS 86 poor 10 35 85 34 3.8-8.5 1020/3.7=15, ~2684=7...(6) HB3 LEU 48 - HE3 LYS 36 far 10 97 10 - 5.5-18.0 HB3 LYS 36 - HE2 LYS 24 far 10 97 10 - 4.5-28.8 HB2 GLU 40 - HE2 LYS 36 far 9 92 10 - 5.2-16.4 HB2 GLU 40 - HE2 LYS 24 far 9 86 10 - 5.9-32.4 HB2 GLU 40 - HE3 LYS 24 far 7 72 10 - 5.2-31.0 HB3 LEU 48 - HE2 LYS 26 far 5 97 5 - 4.9-29.1 HB3 LEU 48 - HE2 LYS 36 far 5 97 5 - 6.8-16.7 HB3 LEU 48 - HE3 LYS 26 far 5 97 5 - 5.9-29.3 HB3 LEU 48 - HE2 LYS 24 far 5 93 5 - 6.0-30.7 HB3 LEU 48 - HE3 LYS 31 far 5 93 5 - 7.0-26.5 HB2 GLU 40 - HE3 LYS 36 far 5 92 5 - 4.4-17.2 HB2 GLU 40 - HE2 LYS 31 far 5 92 5 - 5.5-24.2 HB2 GLU 40 - HE3 LYS 31 far 4 86 5 - 6.4-25.8 HB3 LYS 36 - HE3 LYS 24 far 4 84 5 - 6.1-28.5 HB3 LEU 48 - HE3 LYS 24 far 4 78 5 - 4.6-29.1 HB3 LEU 48 - HE2 LYS 31 far 0 97 0 - 7.9-25.3 HB3 ARG 84 - HE3 LYS 86 far 0 51 0 - 8.0-9.9 HB2 GLU 40 - HE3 LYS 26 far 0 91 0 - 8.3-33.7 HB3 LEU 48 - HE3 LYS 19 far 0 96 0 - 8.4-37.7 HB2 GLU 40 - HE2 LYS 26 far 0 92 0 - 8.9-33.6 HB3 LEU 48 - HE2 LYS 19 far 0 96 0 - 9.2-36.0 HB2 GLU 40 - HE2 LYS 19 far 0 90 0 - 9.4-42.7 HB2 GLU 40 - HE3 LYS 19 far 0 90 0 - 9.6-42.3 Violated in 0 structures by 0.00 A. Peak 1054 from aliabs.peaks (1.38, 2.96, 41.80 ppm; 4.15 A): 10 out of 125 assignments used, quality = 1.00: HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 * HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.0-3.9 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.3-3.2 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.1-4.2 4.0=100 QB ALA 12 - HE3 LYS 19 poor 20 79 25 - 4.2-15.1 QB ALA 28 - HE3 LYS 31 poor 19 96 20 - 4.1-9.8 HG2 LYS 19 - HE2 LYS 24 poor 19 93 20 - 2.9-18.6 HG2 LYS 19 - HE3 LYS 24 poor 16 78 20 - 3.9-19.3 QB ALA 15 - HE2 LYS 31 far 15 100 15 - 3.9-23.1 QB ALA 29 - HE2 LYS 26 far 15 100 15 - 4.1-12.1 QB ALA 29 - HE2 LYS 31 far 15 100 15 - 4.3-10.0 HG3 LYS 26 - HE2 LYS 31 far 15 100 15 - 5.0-15.0 QB ALA 29 - HE2 LYS 36 far 15 100 15 - 5.2-11.0 QB ALA 29 - HE3 LYS 26 far 15 100 15 - 4.0-12.1 HG3 LYS 31 - HE2 LYS 36 far 15 100 15 - 4.3-14.3 HG3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.5-14.3 HG3 LYS 31 - HE2 LYS 26 far 15 100 15 - 4.3-18.5 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 2.1-13.2 HG3 LYS 31 - HE3 LYS 26 far 15 99 15 - 4.8-18.3 HG2 LYS 24 - HE2 LYS 19 far 15 99 15 - 4.3-16.8 QB ALA 15 - HE3 LYS 31 far 15 97 15 - 4.6-22.3 QB ALA 16 - HE3 LYS 19 far 14 95 15 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 14 95 15 - 4.4-10.6 QB ALA 28 - HE3 LYS 24 far 12 83 15 - 5.3-13.7 HG3 LYS 26 - HE3 LYS 36 far 10 100 10 - 4.4-24.9 HG3 LYS 26 - HE2 LYS 36 far 10 100 10 - 4.6-24.5 HG2 LYS 36 - HE2 LYS 26 far 10 100 10 - 5.0-27.0 QB ALA 29 - HE3 LYS 36 far 10 100 10 - 5.3-11.4 HG2 LYS 36 - HE3 LYS 26 far 10 100 10 - 5.1-26.6 HG2 LYS 24 - HE3 LYS 19 far 10 99 10 - 3.6-18.0 QB ALA 29 - HE3 LYS 31 far 10 97 10 - 4.8-10.3 QB ALA 28 - HE2 LYS 24 far 10 96 10 - 4.5-13.8 QB ALA 28 - HE2 LYS 31 poor 5 100 25 20 4.7-10.1 ~10771=13, 6334/7.1=4 QB ALA 110 - HE3 LYS 26 far 5 100 5 - 4.0-28.9 HG2 LYS 24 - HE2 LYS 36 far 5 100 5 - 4.2-26.3 QB ALA 110 - HE2 LYS 26 far 5 100 5 - 4.9-30.1 HG2 LYS 36 - HE2 LYS 31 far 5 100 5 - 5.3-13.7 QB ALA 28 - HE3 LYS 26 far 5 100 5 - 5.4-9.7 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 5.4-12.1 HB2 LEU 42 - HE3 LYS 36 far 5 99 5 - 5.0-13.1 QB ALA 109 - HE3 LYS 26 far 5 99 5 - 5.3-26.1 QB ALA 109 - HE3 LYS 19 far 5 98 5 - 4.7-41.8 QB ALA 109 - HE2 LYS 19 far 5 98 5 - 5.1-43.2 QB ALA 15 - HE2 LYS 24 far 5 97 5 - 2.0-19.1 HG2 LYS 36 - HE3 LYS 31 far 5 97 5 - 5.1-14.9 HG3 LYS 26 - HE2 LYS 24 far 5 97 5 - 5.0-12.3 QB ALA 29 - HE2 LYS 24 far 5 97 5 - 5.6-13.5 QB ALA 16 - HE3 LYS 36 far 5 97 5 - 5.5-25.6 HG3 LYS 31 - HE2 LYS 24 far 5 96 5 - 4.1-18.0 HG3 LYS 95 - HE2 LYS 24 far 5 96 5 - 5.2-35.1 QB ALA 16 - HE2 LYS 24 far 5 92 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 5 92 5 - 5.0-24.1 QB ALA 15 - HE3 LYS 24 far 4 84 5 - 2.0-19.1 HG3 LYS 26 - HE3 LYS 24 far 4 84 5 - 5.5-12.7 HG3 LYS 95 - HE3 LYS 24 far 4 83 5 - 4.2-36.6 HG3 LYS 31 - HE3 LYS 24 far 4 83 5 - 5.2-18.7 HG2 LYS 95 - HE3 LYS 24 far 4 80 5 - 4.3-36.3 QB ALA 16 - HE3 LYS 24 far 4 77 5 - 4.4-18.8 QB ALA 12 - HE3 LYS 24 far 3 61 5 - 5.0-19.7 QB ALA 12 - HE2 LYS 19 lone 0 79 30 1 4.2-15.0 HG2 LYS 24 - HE3 LYS 36 far 0 100 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 94 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 99 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 96 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 100 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 97 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 80 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.0-12.2 QB ALA 12 - HE2 LYS 24 far 0 75 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 84 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 84 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 97 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 93 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 100 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 99 0 - 6.6-27.0 HG3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 96 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 97 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 99 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 100 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 100 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 99 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 75 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 99 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 100 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 100 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 95 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 100 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 84 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 99 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 97 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 99 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 99 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 81 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 95 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 99 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 99 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 97 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 99 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 99 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 99 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 81 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 81 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 96 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 96 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 97 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 1055 from aliabs.peaks (1.46, 2.96, 41.80 ppm; 4.23 A): 11 out of 61 assignments used, quality = 1.00: * HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.5 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-4.1 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.1-4.2 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 92 92 100 100 2.0-3.9 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 79 79 100 100 2.3-3.8 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.2-4.2 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 63 63 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 62 62 100 100 2.0-4.0 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 56 56 100 100 3.3-3.7 3.7=100 HG3 LYS 36 - HE2 LYS 26 poor 20 100 20 - 4.5-27.4 HG3 LYS 24 - HE2 LYS 19 poor 19 95 20 - 3.7-17.8 HG3 LYS 36 - HE3 LYS 26 poor 15 100 25 61 4.4-26.9 3.0/1003=6...(16) HG3 LYS 19 - HE2 LYS 24 poor 15 75 20 - 3.4-18.5 HG3 LYS 24 - HE3 LYS 19 poor 12 95 25 49 4.5-18.1 823/5.1=2, 822/6.4=2...(6) HG2 LYS 31 - HE2 LYS 26 far 10 100 10 - 3.8-19.7 HG2 LYS 31 - HE2 LYS 36 far 10 100 10 - 4.9-14.4 HG2 LYS 31 - HE3 LYS 26 far 10 100 10 - 5.3-19.4 HG2 LYS 26 - HE3 LYS 36 far 9 63 15 - 3.8-24.9 HG2 LYS 26 - HE2 LYS 36 far 9 63 15 - 4.1-24.5 HG3 LYS 19 - HE3 LYS 24 far 9 61 15 - 4.8-19.1 HG LEU 42 - HE3 LYS 36 far 6 63 10 - 4.4-13.5 HG LEU 42 - HE2 LYS 36 far 6 63 10 - 4.8-12.8 HG3 LYS 36 - HE2 LYS 31 far 5 100 5 - 4.4-14.3 HG2 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.4-14.2 HG3 LYS 36 - HE3 LYS 31 far 5 97 5 - 3.7-15.5 HG2 LYS 31 - HE2 LYS 24 far 5 97 5 - 3.3-18.4 HG3 LYS 36 - HE2 LYS 24 far 5 97 5 - 4.6-28.4 HG3 LYS 24 - HE2 LYS 36 far 5 97 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 5 97 5 - 4.8-25.5 HG2 LYS 31 - HE3 LYS 24 far 4 84 5 - 4.0-19.0 HG2 LYS 26 - HE2 LYS 31 far 3 63 5 - 5.4-15.0 HG2 LYS 26 - HE2 LYS 24 far 0 58 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 46 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 58 0 - 6.0-14.4 HG3 LYS 36 - HE3 LYS 24 far 0 84 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 96 0 - 6.5-13.4 HG3 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.7-12.9 QB ALA 52 - HE3 LYS 19 far 0 79 0 - 6.9-30.9 QB ALA 52 - HE3 LYS 24 far 0 61 0 - 7.0-24.3 QB ALA 52 - HE2 LYS 24 far 0 75 0 - 7.1-25.0 HG3 LYS 19 - HE3 LYS 31 far 0 75 0 - 7.1-28.4 HG2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.3-26.2 QB ALA 52 - HE2 LYS 26 far 0 80 0 - 7.4-24.3 HG3 LYS 19 - HE2 LYS 31 far 0 80 0 - 7.5-27.6 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 80 0 - 8.0-25.3 QB ALA 52 - HE2 LYS 19 far 0 79 0 - 8.1-30.6 HG3 LYS 24 - HE3 LYS 31 far 0 92 0 - 8.2-17.8 QB ALA 52 - HE3 LYS 26 far 0 80 0 - 8.2-24.6 QB ALA 52 - HE3 LYS 36 far 0 81 0 - 8.5-17.5 HG3 LYS 24 - HE2 LYS 31 far 0 96 0 - 8.5-17.7 QB ALA 92 - HE3 LYS 86 far 0 35 0 - 8.8-11.2 QB ALA 52 - HE2 LYS 36 far 0 81 0 - 9.0-16.4 HG LEU 42 - HE2 LYS 26 far 0 63 0 - 9.1-27.6 HG3 LYS 19 - HE3 LYS 26 far 0 80 0 - 9.3-25.2 QB ALA 52 - HE3 LYS 31 far 0 75 0 - 9.4-24.2 HG3 LYS 19 - HE3 LYS 36 far 0 81 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 99 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 44 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 1056 from aliabs.peaks (1.66, 2.96, 41.80 ppm; 3.83 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 68 68 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 66 66 100 100 2.5-3.0 3.0=100 HD2 LYS 36 - HE3 LYS 26 poor 20 100 20 - 2.5-24.7 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD2 LYS 19 - HE2 LYS 24 poor 18 90 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 18 88 20 - 2.7-18.2 HD2 LYS 36 - HE2 LYS 26 far 15 100 15 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 15 99 15 - 3.9-18.3 HD3 LYS 19 - HE3 LYS 24 poor 15 73 20 - 2.2-19.0 HD3 LYS 24 - HE3 LYS 19 far 15 97 15 - 3.7-17.8 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE3 LYS 26 far 10 100 10 - 3.6-25.8 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 100 10 - 4.7-26.1 HD2 LYS 24 - HE2 LYS 19 far 10 99 10 - 5.2-19.0 HD2 LYS 36 - HE3 LYS 31 far 10 97 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 97 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 8 76 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 7 97 25 28 4.2-18.5 2631/5.1=1, 632/3.8=1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD2 LYS 31 - HE2 LYS 36 far 5 99 5 - 4.6-13.1 HD2 LYS 31 - HE3 LYS 26 far 5 99 5 - 5.2-17.8 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 5 97 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 96 5 - 4.7-18.8 HD3 LYS 95 - HE3 LYS 24 far 4 83 5 - 5.3-36.2 HD3 LYS 31 - HE3 LYS 24 far 4 83 5 - 5.0-18.2 HD3 LYS 26 - HE3 LYS 36 lone 2 100 20 10 3.8-24.9 1031/4.9=2, 10812/10721=1 HD3 LYS 26 - HE2 LYS 36 lone 2 100 20 9 2.9-24.6 1031/4.9=2, 10812/10721=1 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 98 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 96 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 80 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 81 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 97 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 85 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 93 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 70 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 85 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 97 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 42 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 88 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 84 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 94 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 90 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 83 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 48 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 85 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 69 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 90 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 84 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 89 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 90 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 93 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 96 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 96 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 87 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 93 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 85 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 95 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 83 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 89 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 90 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 84 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 1057 from aliabs.peaks (1.66, 2.96, 41.80 ppm; 3.83 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.5-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 2.9-24.6 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 20 100 20 - 2.5-24.7 HD2 LYS 19 - HE2 LYS 24 poor 18 92 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 18 89 20 - 2.7-18.2 HD2 LYS 36 - HE2 LYS 26 far 15 100 15 - 3.3-25.2 HD3 LYS 19 - HE3 LYS 24 poor 15 75 20 - 2.2-19.0 HD2 LYS 24 - HE3 LYS 19 far 15 99 15 - 3.9-18.3 HD3 LYS 24 - HE3 LYS 19 far 15 97 15 - 3.7-17.8 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE3 LYS 26 far 10 100 10 - 3.6-25.8 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 100 10 - 4.7-26.1 HD2 LYS 24 - HE2 LYS 19 far 10 99 10 - 5.2-19.0 HD2 LYS 36 - HE3 LYS 31 far 10 97 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 97 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 8 77 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 7 97 25 28 4.2-18.5 2631/5.1=1, 632/3.8=1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD2 LYS 31 - HE2 LYS 36 far 5 99 5 - 4.6-13.1 HD2 LYS 31 - HE3 LYS 26 far 5 99 5 - 5.2-17.8 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 5 97 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 97 5 - 4.7-18.8 HD3 LYS 95 - HE3 LYS 24 far 4 84 5 - 5.3-36.2 HD3 LYS 31 - HE3 LYS 24 far 4 83 5 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 81 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 82 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 97 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 86 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 94 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 72 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 87 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 97 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 99 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 44 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 89 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 84 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 95 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 49 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 87 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 67 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 92 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 84 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 87 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 92 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 96 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 89 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 95 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 87 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 96 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 81 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 87 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 91 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 86 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 1058 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 99 99 - 100 HE2 LYS 19 + HE2 LYS 19 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 95 95 - 100 HE2 LYS 24 + HE2 LYS 24 OK 95 95 - 100 HE3 LYS 24 + HE3 LYS 24 OK 75 75 - 100 HE3 LYS 86 + HE3 LYS 86 OK 69 69 - 100 Peak 1059 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 99 99 - 100 HE2 LYS 19 + HE2 LYS 19 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 95 95 - 100 HE2 LYS 24 + HE2 LYS 24 OK 95 95 - 100 HE3 LYS 24 + HE3 LYS 24 OK 75 75 - 100 HE3 LYS 86 + HE3 LYS 86 OK 69 69 - 100 Reference assignment not found: HE3 LYS 36 - HE2 LYS 36 Peak 1062 from aliabs.peaks (4.28, 2.96, 41.80 ppm; 5.87 A): 26 out of 149 assignments used, quality = 1.00: * HA LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.9-6.5 6.0=95, 3.0/1064=41...(25) HA LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.9-6.2 6.0=95, 3.0/1064=41...(25) HA LYS 19 + HE3 LYS 19 OK 92 93 100 99 2.0-5.4 6.4=78, 271/3.8=25...(34) HA LYS 19 + HE2 LYS 19 OK 92 93 100 99 3.2-5.7 6.4=78, 271/3.8=25...(34) HA LYS 31 + HE2 LYS 31 OK 92 93 100 99 1.9-5.7 6.5=75, 822/3.7=27...(29) HA LYS 26 + HE2 LYS 26 OK 88 90 100 98 2.7-6.4 6.6=71, 6249/7.1=27...(23) HA LYS 26 + HE3 LYS 26 OK 88 90 100 98 3.4-6.0 6.6=71, 6249/7.1=27...(23) HA LYS 31 + HE3 LYS 31 OK 87 88 100 99 2.5-5.6 6.5=75, 822/3.7=27...(28) HA THR 18 + HE3 LYS 19 OK 72 99 80 91 4.3-9.2 10686/3.8=64, 226/7.3=49...(8) HA THR 25 + HE2 LYS 24 OK 69 96 75 96 2.0-8.6 11128/5.1=40, 9587=28...(16) HA THR 18 + HE2 LYS 19 OK 59 99 65 91 2.7-8.8 10686/3.8=64, 226/7.3=49...(8) HA THR 25 + HE2 LYS 26 OK 57 99 60 95 2.9-9.2 582/7.1=54, 11128/4.8=34...(13) HA PHE 87 + HE3 LYS 86 OK 55 60 95 96 3.9-7.4 4.9/11332=47...(11) HA THR 25 + HE3 LYS 26 OK 47 99 50 95 2.2-9.3 582/7.1=54, 11128/4.8=34...(13) HA THR 25 + HE3 LYS 24 OK 47 82 60 96 2.3-9.0 11128/5.1=40...(14) HA ARG 23 + HE3 LYS 26 OK 37 99 55 68 2.0-13.5 3.8/11618=7, 424/7.1=3...(65) HA ARG 23 + HE2 LYS 26 OK 37 99 55 67 2.7-12.5 3.8/11618=10, 424/7.1=3...(55) HA LYS 31 + HE3 LYS 26 OK 37 93 40 98 5.3-18.9 3.0/6338=8, ~6338=6...(173) HA LYS 19 + HE3 LYS 24 OK 35 75 50 93 2.9-16.7 822/4.0=5, 793/4.0=5...(146) HA LYS 19 + HE2 LYS 24 OK 34 89 40 95 1.9-16.1 822/4.0=5, 793/4.0=5...(166) HA ARG 23 + HE2 LYS 24 OK 33 96 50 70 6.3-9.4 424/7.4=45, 1018/4.0=10...(15) HA LYS 31 + HE2 LYS 26 OK 32 93 35 98 5.0-18.9 3.0/6338=8, ~6338=6...(172) HA LYS 26 + HE3 LYS 31 OK 32 85 40 94 4.4-13.1 790/4.8=8, 822/3.7=6...(142) HA LYS 26 + HE2 LYS 31 OK 29 90 35 93 5.0-12.6 790/4.8=8, 822/3.7=6...(141) HA LYS 36 + HE3 LYS 26 OK 28 100 35 79 3.5-29.4 3.0/1004=11, ~1004=9...(44) HA LYS 36 + HE2 LYS 26 OK 20 100 25 80 3.2-29.7 3.0/1004=11, ~1004=9...(53) HA THR 25 - HE2 LYS 31 poor 20 99 20 - 3.1-14.8 HA ARG 23 - HE3 LYS 24 poor 20 82 35 68 5.5-9.3 424/7.4=45, 1018/4.0=10...(13) HA LYS 26 - HE3 LYS 36 poor 18 90 20 - 6.7-22.7 HA LEU 22 - HE2 LYS 26 poor 17 85 20 - 4.0-14.7 HA ALA 15 - HE2 LYS 31 far 15 100 15 - 5.4-27.5 HA ARG 23 - HE3 LYS 36 far 15 99 15 - 6.1-25.9 HA LYS 31 - HE3 LYS 36 poor 15 93 50 32 4.8-12.9 3.0/6337=3...(6) HA ALA 16 - HE2 LYS 19 far 15 97 15 - 5.1-12.4 HA THR 25 - HE3 LYS 31 far 14 96 15 - 2.8-14.8 HA LYS 31 - HE2 LYS 36 poor 14 93 40 37 5.5-13.1 10753/9008=3, ~6337=3...(7) HA LEU 22 - HE2 LYS 24 poor 12 79 50 31 3.0-11.0 11967/4.0=11, 6212/7.4=9...(7) HA LYS 26 - HE3 LYS 24 far 11 70 15 - 6.6-11.5 HA THR 18 - HE2 LYS 31 far 10 100 10 - 5.9-25.3 HA THR 25 - HE2 LYS 36 far 10 99 10 - 4.9-23.1 HA THR 25 - HE3 LYS 36 far 10 99 10 - 5.5-23.8 HA ARG 23 - HE2 LYS 36 far 10 99 10 - 5.7-25.3 HA ARG 23 - HE2 LYS 31 far 10 99 10 - 6.0-17.4 HA LYS 36 - HE2 LYS 24 far 10 97 10 - 6.4-29.6 HA THR 18 - HE3 LYS 31 far 10 97 10 - 5.3-25.8 HA ALA 21 - HE2 LYS 26 far 10 96 10 - 6.8-17.6 HA ALA 15 - HE2 LYS 24 far 10 96 10 - 3.2-24.3 HA ALA 15 - HE3 LYS 31 far 10 96 10 - 5.9-26.5 HA GLN 61 - HE3 LYS 31 far 10 96 10 - 6.4-25.1 HA ARG 23 - HE3 LYS 31 far 10 96 10 - 7.1-18.5 HA ALA 16 - HE3 LYS 31 far 9 94 10 - 5.0-28.0 HA LEU 22 - HE3 LYS 24 poor 9 65 45 31 1.9-11.8 11967/4.0=11, 6212/7.4=9...(8) HA LYS 26 - HE2 LYS 36 far 9 90 10 - 5.2-22.3 HA LYS 26 - HE2 LYS 24 far 8 85 10 - 5.6-11.4 HA LEU 22 - HE3 LYS 26 far 8 84 10 - 5.2-15.2 HA GLN 61 - HE2 LYS 26 far 5 100 5 - 2.5-26.5 HA THR 18 - HE3 LYS 36 far 5 100 5 - 5.0-33.6 HA GLN 61 - HE3 LYS 26 far 5 99 5 - 3.6-26.6 HA ALA 110 - HE3 LYS 26 far 5 100 5 - 5.9-33.9 HA THR 18 - HE2 LYS 36 far 5 100 5 - 6.5-32.9 HA LYS 36 - HE2 LYS 31 far 5 100 5 - 7.3-13.7 HA GLN 61 - HE2 LYS 31 far 5 100 5 - 6.6-24.3 HA ALA 109 - HE3 LYS 26 far 5 99 5 - 4.2-32.2 HA ALA 109 - HE2 LYS 26 far 5 99 5 - 5.8-33.8 HA ALA 108 - HE3 LYS 26 far 5 99 5 - 4.9-30.3 HA ALA 108 - HE2 LYS 26 far 5 99 5 - 6.6-31.8 HA ALA 16 - HE3 LYS 36 far 5 99 5 - 6.3-32.1 HA ALA 16 - HE2 LYS 31 far 5 99 5 - 6.3-27.2 HA ALA 109 - HE3 LYS 19 far 5 98 5 - 6.5-51.9 HA ALA 108 - HE3 LYS 19 far 5 98 5 - 7.1-50.0 HA LYS 36 - HE3 LYS 31 far 5 97 5 - 7.1-15.1 HA ALA 21 - HE3 LYS 36 far 5 97 5 - 6.5-28.1 HA ALA 21 - HE2 LYS 36 far 5 97 5 - 7.2-27.3 HA GLN 61 - HE2 LYS 24 far 5 96 5 - 5.8-25.5 HA ALA 108 - HE3 LYS 31 far 5 95 5 - 6.8-33.7 HA ALA 16 - HE2 LYS 24 far 5 94 5 - 5.1-21.6 HA LYS 19 - HE2 LYS 31 far 5 94 5 - 7.4-25.6 HA LYS 31 - HE2 LYS 19 far 5 92 5 - 5.1-27.7 HA LYS 31 - HE3 LYS 19 far 5 92 5 - 5.6-27.5 HA ALA 21 - HE3 LYS 31 far 5 92 5 - 7.2-21.7 HA LYS 19 - HE3 LYS 31 far 4 89 5 - 6.8-26.4 HA LYS 31 - HE2 LYS 24 far 4 88 5 - 6.0-19.7 HA LYS 36 - HE3 LYS 24 far 4 84 5 - 7.3-29.3 HA ALA 15 - HE3 LYS 24 far 4 83 5 - 2.7-24.2 HA GLN 61 - HE3 LYS 24 far 4 83 5 - 6.3-26.7 HA ALA 16 - HE3 LYS 24 far 4 80 5 - 5.5-21.7 HA LYS 31 - HE3 LYS 24 far 4 73 5 - 7.3-20.2 HA ALA 21 - HE2 LYS 24 lone 1 92 40 3 2.6-12.5 HA THR 18 - HE2 LYS 24 lone 1 97 25 5 4.8-17.4 10686/318=1 HA ALA 21 - HE3 LYS 24 lone 1 77 40 3 2.0-13.7 HA ALA 12 - HE2 LYS 19 lone 1 99 35 3 3.7-20.1 HA THR 18 - HE3 LYS 24 lone 1 83 25 4 4.1-17.6 HA ALA 12 - HE3 LYS 19 lone 1 99 25 3 4.5-19.2 HA ALA 15 - HE2 LYS 19 lone 1 99 35 2 2.2-14.3 HA ALA 15 - HE3 LYS 19 lone 1 99 25 2 2.0-14.9 HA ALA 16 - HE3 LYS 19 lone 1 97 25 2 4.9-11.6 HA THR 25 - HE2 LYS 19 far 0 98 0 - 7.4-19.3 HA ALA 110 - HE2 LYS 26 far 0 100 0 - 7.4-35.4 HA ALA 21 - HE2 LYS 31 far 0 96 0 - 7.5-21.4 HA ALA 109 - HE2 LYS 19 far 0 98 0 - 7.5-53.5 HA THR 25 - HE3 LYS 19 far 0 98 0 - 7.5-20.7 HA ALA 108 - HE2 LYS 31 far 0 99 0 - 7.5-34.3 HA ALA 16 - HE2 LYS 36 far 0 99 0 - 7.5-31.5 HA LYS 19 - HE2 LYS 26 far 0 94 0 - 7.6-22.7 HA TYR 76 - HE3 LYS 86 far 0 46 0 - 7.7-11.0 HA ALA 21 - HE3 LYS 26 far 0 96 0 - 7.7-16.3 HA ALA 108 - HE2 LYS 19 far 0 98 0 - 7.8-51.7 HA GLN 61 - HE3 LYS 19 far 0 99 0 - 7.8-33.4 HA ALA 21 - HE3 LYS 19 far 0 95 0 - 7.9-11.6 HA ALA 12 - HE3 LYS 24 far 0 84 0 - 7.9-25.7 HA ARG 23 - HE2 LYS 19 far 0 98 0 - 7.9-15.5 HA LEU 22 - HE3 LYS 19 far 0 83 0 - 8.0-13.0 HA TYR 76 - HE2 LYS 36 far 0 76 0 - 8.1-19.5 HA ALA 110 - HE3 LYS 19 far 0 99 0 - 8.1-53.0 HA LYS 26 - HE3 LYS 19 far 0 89 0 - 8.1-22.8 HA GLN 61 - HE2 LYS 36 far 0 100 0 - 8.2-18.1 HA LYS 19 - HE3 LYS 36 far 0 95 0 - 8.2-32.4 HA ARG 23 - HE3 LYS 19 far 0 98 0 - 8.3-16.9 HA ALA 12 - HE2 LYS 24 far 0 97 0 - 8.3-25.1 HA LEU 22 - HE2 LYS 36 far 0 85 0 - 8.5-28.7 HA LEU 22 - HE2 LYS 19 far 0 83 0 - 8.5-13.1 HA LEU 22 - HE3 LYS 31 far 0 79 0 - 8.6-20.1 HA SER 74 - HE2 LYS 31 far 0 100 0 - 8.7-24.7 HA SER 74 - HE3 LYS 86 far 0 69 0 - 8.8-11.9 HA ALA 15 - HE3 LYS 36 far 0 100 0 - 8.8-28.6 HA LYS 26 - HE2 LYS 19 far 0 89 0 - 8.8-21.4 HA ALA 21 - HE2 LYS 19 far 0 95 0 - 8.8-11.4 HA ALA 108 - HE2 LYS 24 far 0 95 0 - 8.9-40.0 HA LYS 19 - HE3 LYS 26 far 0 94 0 - 9.0-22.6 HA ALA 12 - HE2 LYS 31 far 0 100 0 - 9.1-29.0 HA GLN 61 - HE3 LYS 36 far 0 100 0 - 9.2-19.5 HB THR 115 - HE3 LYS 26 far 0 95 0 - 9.3-30.9 HA ALA 110 - HE2 LYS 19 far 0 99 0 - 9.3-54.6 HA ALA 108 - HE3 LYS 24 far 0 81 0 - 9.4-41.5 HA LYS 36 - HE3 LYS 19 far 0 99 0 - 9.4-39.4 HA LYS 36 - HE2 LYS 19 far 0 99 0 - 9.4-39.5 HA GLN 61 - HE2 LYS 19 far 0 99 0 - 9.5-33.6 HA SER 74 - HE2 LYS 36 far 0 100 0 - 9.5-20.1 HA THR 18 - HE3 LYS 26 far 0 100 0 - 9.5-21.1 HA ALA 15 - HE2 LYS 26 far 0 100 0 - 9.6-27.2 HA TYR 76 - HE3 LYS 36 far 0 76 0 - 9.7-19.3 HA LYS 19 - HE2 LYS 36 far 0 95 0 - 9.8-31.9 HA ALA 109 - HE2 LYS 24 far 0 95 0 - 9.8-42.5 HA THR 18 - HE2 LYS 26 far 0 100 0 - 9.9-21.5 HA ALA 15 - HE2 LYS 36 far 0 100 0 - 9.9-29.0 HA ALA 109 - HE3 LYS 24 far 0 81 0 - 9.9-43.9 HA ALA 110 - HE2 LYS 24 far 0 97 0 - 9.9-44.3 HA LEU 22 - HE3 LYS 36 far 0 85 0 - 10.0-29.4 HA SER 74 - HE3 LYS 31 far 0 96 0 - 10.0-24.6 Violated in 0 structures by 0.00 A. Peak 1063 from aliabs.peaks (1.82, 2.96, 41.80 ppm; 5.89 A): 29 out of 73 assignments used, quality = 1.00: * HB2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.5 4.9=100 HB2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 3.3-4.7 4.9=100 HB3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 3.3-5.0 4.8=100 HB3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.0-5.4 4.8=100 HB3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.0-5.2 4.8=100 HB3 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.0-5.1 5.1=100 HB3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.0-5.0 4.8=100 HB3 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.1-4.9 5.1=100 HB3 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.3-4.8 5.1=100 HB ILE 32 + HE2 LYS 36 OK 94 99 95 100 3.4-7.6 ~10837=29, 10833/3.0=28...(57) HB ILE 32 + HE3 LYS 36 OK 89 99 90 100 2.0-7.9 ~10837=29, 10833/3.0=28...(56) HB3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.8-5.3 5.1=100 HB ILE 32 + HE2 LYS 31 OK 61 99 65 94 4.3-9.5 10825=13, 3.2/10804=13...(61) HB ILE 32 + HE2 LYS 26 OK 57 99 60 95 4.8-19.8 2.1/10840=15, ~10840=14...(62) HB ILE 32 + HE3 LYS 26 OK 57 99 60 95 4.6-19.4 2.1/10840=15, ~10840=14...(62) HB3 LYS 31 + HE2 LYS 26 OK 53 100 55 97 2.2-19.2 629/3.6=9, 6332/6338=7...(145) HB3 LYS 31 + HE3 LYS 26 OK 53 99 55 97 3.3-19.0 629/3.6=9, 6332/6338=7...(142) HB ILE 32 + HE3 LYS 31 OK 50 96 55 95 4.6-10.3 10825/1.8=12, 902/7.1=12...(61) HB2 LYS 86 + HE3 LYS 86 OK 46 46 100 100 3.0-3.5 4.9=100 HB2 LYS 36 + HE3 LYS 26 OK 37 100 45 82 2.6-28.9 1.8/1003=13, ~1004=11...(30) HB3 LYS 26 + HE2 LYS 31 OK 36 100 40 91 3.9-12.8 1019/3.7=7, 835/3.7=6...(117) HB3 LYS 26 + HE3 LYS 31 OK 35 97 40 91 4.4-13.0 1019/3.7=7, 835/3.7=6...(113) HB2 LYS 36 + HE2 LYS 26 OK 35 100 40 86 2.4-29.4 1.8/1004=13, ~1004=11...(46) HB3 ARG 23 + HE2 LYS 26 OK 33 100 50 67 3.0-13.9 3.0/11618=11, ~11618=7...(58) HB3 ARG 23 + HE3 LYS 26 OK 33 100 50 66 2.6-15.2 ~11618=10, 3.0/11618=8...(57) HB3 LYS 19 + HE3 LYS 24 OK 33 78 45 93 3.9-16.9 3.0/11770=4, 526/4.0=4...(133) HB3 LYS 19 + HE2 LYS 24 OK 30 93 35 93 2.6-16.3 3.0/11770=4, 526/4.0=4...(130) HB3 LYS 24 + HE3 LYS 19 OK 24 99 35 68 4.6-17.1 2.9/1025=2, 624=2...(58) HB3 LYS 24 + HE2 LYS 19 OK 22 99 30 73 3.5-17.2 1.8/613=2, 2.9/1025=2...(69) HB3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 4.2-22.7 HB2 LYS 36 - HE2 LYS 31 poor 20 100 20 - 6.2-12.8 HB3 LYS 24 - HE3 LYS 26 poor 20 100 20 - 4.8-12.9 HB3 LYS 31 - HE2 LYS 36 poor 20 100 20 - 5.3-14.3 HB3 ARG 23 - HE3 LYS 24 poor 17 84 20 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 36 far 15 100 15 - 3.5-23.5 HB3 ARG 23 - HE2 LYS 31 far 15 100 15 - 6.3-18.9 HB2 LYS 36 - HE3 LYS 31 far 15 97 15 - 5.6-14.2 HB3 LYS 31 - HE2 LYS 24 far 14 96 15 - 6.0-19.3 HB3 LYS 24 - HE2 LYS 36 far 10 100 10 - 3.5-25.9 HB3 ARG 23 - HE3 LYS 36 far 10 100 10 - 4.4-24.0 HB3 ARG 23 - HE3 LYS 31 far 10 97 10 - 5.4-20.0 HB3 LYS 26 - HE2 LYS 24 far 10 97 10 - 5.2-13.2 HB3 ARG 23 - HE2 LYS 24 far 10 97 10 - 7.2-10.3 HB3 LYS 26 - HE3 LYS 24 far 8 84 10 - 6.0-13.6 HB3 LYS 31 - HE3 LYS 36 poor 8 100 30 27 4.9-14.1 6332/6337=3...(3) HB2 CYS 79 - HE3 LYS 86 far 6 62 10 - 6.5-10.0 HB3 LYS 26 - HE3 LYS 36 poor 5 100 25 21 5.3-23.0 10720/10721=3, 10751/10813=2 HB3 LYS 24 - HE3 LYS 36 far 5 100 5 - 5.2-26.7 HB3 LYS 31 - HE2 LYS 19 far 5 99 5 - 5.8-26.9 HB3 LYS 31 - HE3 LYS 19 far 5 99 5 - 6.2-27.1 HB3 LYS 19 - HE2 LYS 26 far 5 97 5 - 6.1-23.7 HB3 LYS 19 - HE2 LYS 31 far 5 97 5 - 6.5-26.1 HB2 LYS 36 - HE2 LYS 24 far 5 97 5 - 6.1-29.9 HB ILE 32 - HE2 LYS 24 far 5 96 5 - 7.3-20.7 HB3 LYS 24 - HE2 LYS 26 lone 4 100 35 12 5.5-13.1 985/9587=1 HB3 LYS 31 - HE3 LYS 24 far 4 83 5 - 6.7-20.0 HB3 LYS 19 - HE3 LYS 31 far 0 93 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 84 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 97 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 97 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 99 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 67 0 - 8.0-9.9 HB VAL 93 - HE3 LYS 86 far 0 64 0 - 8.2-12.3 HB3 ARG 23 - HE3 LYS 19 far 0 99 0 - 8.2-16.9 HB ILE 32 - HE3 LYS 24 far 0 82 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 73 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 99 0 - 8.7-23.7 HB3 LEU 122 - HE3 LYS 24 far 0 48 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 99 0 - 9.5-15.7 HB3 ARG 135 - HE3 LYS 86 far 0 70 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 97 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 73 0 - 9.8-24.8 Violated in 0 structures by 0.00 A. Peak 1064 from aliabs.peaks (1.88, 2.96, 41.80 ppm; 6.08 A): 4 out of 30 assignments used, quality = 1.00: * HB3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 1.9-4.6 4.9=100 HB3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-4.8 4.9=100 HB3 LYS 36 + HE2 LYS 26 OK 49 100 55 89 2.9-28.6 1004=16, 1003/1.8=14...(87) HB3 LYS 36 + HE3 LYS 26 OK 44 100 50 87 3.1-28.2 1003=15, 1004/1.8=14...(68) HB3 LYS 36 - HE2 LYS 31 poor 20 100 20 - 5.5-13.6 HB3 LYS 36 - HE3 LYS 31 far 15 97 15 - 5.0-14.6 HB2 ARG 90 - HE3 LYS 86 poor 10 35 85 34 3.8-8.5 1020/3.7=15, ~2684=7...(6) HB3 LEU 48 - HE3 LYS 36 far 10 97 10 - 5.5-18.0 HB3 LYS 36 - HE2 LYS 24 far 10 97 10 - 4.5-28.8 HB2 GLU 40 - HE2 LYS 36 far 9 92 10 - 5.2-16.4 HB2 GLU 40 - HE2 LYS 24 far 9 86 10 - 5.9-32.4 HB2 GLU 40 - HE3 LYS 24 far 7 72 10 - 5.2-31.0 HB3 LEU 48 - HE2 LYS 26 far 5 97 5 - 4.9-29.1 HB3 LEU 48 - HE2 LYS 36 far 5 97 5 - 6.8-16.7 HB3 LEU 48 - HE3 LYS 26 far 5 97 5 - 5.9-29.3 HB3 LEU 48 - HE2 LYS 24 far 5 93 5 - 6.0-30.7 HB3 LEU 48 - HE3 LYS 31 far 5 93 5 - 7.0-26.5 HB2 GLU 40 - HE3 LYS 36 far 5 92 5 - 4.4-17.2 HB2 GLU 40 - HE2 LYS 31 far 5 92 5 - 5.5-24.2 HB2 GLU 40 - HE3 LYS 31 far 4 86 5 - 6.4-25.8 HB3 LYS 36 - HE3 LYS 24 far 4 84 5 - 6.1-28.5 HB3 LEU 48 - HE3 LYS 24 far 4 78 5 - 4.6-29.1 HB3 LEU 48 - HE2 LYS 31 far 0 97 0 - 7.9-25.3 HB3 ARG 84 - HE3 LYS 86 far 0 51 0 - 8.0-9.9 HB2 GLU 40 - HE3 LYS 26 far 0 91 0 - 8.3-33.7 HB3 LEU 48 - HE3 LYS 19 far 0 96 0 - 8.4-37.7 HB2 GLU 40 - HE2 LYS 26 far 0 92 0 - 8.9-33.6 HB3 LEU 48 - HE2 LYS 19 far 0 96 0 - 9.2-36.0 HB2 GLU 40 - HE2 LYS 19 far 0 90 0 - 9.4-42.7 HB2 GLU 40 - HE3 LYS 19 far 0 90 0 - 9.6-42.3 Violated in 0 structures by 0.00 A. Peak 1065 from aliabs.peaks (1.38, 2.96, 41.80 ppm; 4.15 A): 10 out of 125 assignments used, quality = 1.00: * HG2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.0-4.2 4.0=100 HG2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.6-4.2 4.0=100 HG3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.0-3.5 3.6=100 HG3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.1-4.1 3.6=100 HG3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.4-4.2 3.7=100 HG2 LYS 24 + HE2 LYS 24 OK 96 96 100 100 2.0-3.9 4.0=100 HG3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.0-4.2 3.7=100 HG2 LYS 19 + HE3 LYS 19 OK 96 96 100 100 2.0-2.8 3.8=100 HG2 LYS 19 + HE2 LYS 19 OK 96 96 100 100 2.3-3.2 3.8=100 HG2 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.1-4.2 4.0=100 QB ALA 12 - HE3 LYS 19 poor 20 79 25 - 4.2-15.1 QB ALA 28 - HE3 LYS 31 poor 19 96 20 - 4.1-9.8 HG2 LYS 19 - HE2 LYS 24 poor 19 93 20 - 2.9-18.6 HG2 LYS 19 - HE3 LYS 24 poor 16 78 20 - 3.9-19.3 QB ALA 15 - HE2 LYS 31 far 15 100 15 - 3.9-23.1 QB ALA 29 - HE2 LYS 26 far 15 100 15 - 4.1-12.1 QB ALA 29 - HE2 LYS 31 far 15 100 15 - 4.3-10.0 HG3 LYS 26 - HE2 LYS 31 far 15 100 15 - 5.0-15.0 QB ALA 29 - HE2 LYS 36 far 15 100 15 - 5.2-11.0 QB ALA 29 - HE3 LYS 26 far 15 100 15 - 4.0-12.1 HG3 LYS 31 - HE2 LYS 36 far 15 100 15 - 4.3-14.3 HG3 LYS 31 - HE3 LYS 36 far 15 100 15 - 4.5-14.3 HG3 LYS 31 - HE2 LYS 26 far 15 100 15 - 4.3-18.5 QB ALA 15 - HE2 LYS 19 far 15 99 15 - 2.0-11.7 QB ALA 15 - HE3 LYS 19 far 15 99 15 - 2.1-13.2 HG3 LYS 31 - HE3 LYS 26 far 15 99 15 - 4.8-18.3 HG2 LYS 24 - HE2 LYS 19 far 15 99 15 - 4.3-16.8 QB ALA 15 - HE3 LYS 31 far 15 97 15 - 4.6-22.3 QB ALA 16 - HE3 LYS 19 far 14 95 15 - 3.5-9.7 QB ALA 16 - HE2 LYS 19 far 14 95 15 - 4.4-10.6 QB ALA 28 - HE3 LYS 24 far 12 83 15 - 5.3-13.7 HG3 LYS 26 - HE3 LYS 36 far 10 100 10 - 4.4-24.9 HG3 LYS 26 - HE2 LYS 36 far 10 100 10 - 4.6-24.5 HG2 LYS 36 - HE2 LYS 26 far 10 100 10 - 5.0-27.0 QB ALA 29 - HE3 LYS 36 far 10 100 10 - 5.3-11.4 HG2 LYS 36 - HE3 LYS 26 far 10 100 10 - 5.1-26.6 HG2 LYS 24 - HE3 LYS 19 far 10 99 10 - 3.6-18.0 QB ALA 29 - HE3 LYS 31 far 10 97 10 - 4.8-10.3 QB ALA 28 - HE2 LYS 24 far 10 96 10 - 4.5-13.8 QB ALA 28 - HE2 LYS 31 poor 5 100 25 20 4.7-10.1 ~10771=13, 6334/7.1=4 QB ALA 110 - HE3 LYS 26 far 5 100 5 - 4.0-28.9 HG2 LYS 24 - HE2 LYS 36 far 5 100 5 - 4.2-26.3 QB ALA 110 - HE2 LYS 26 far 5 100 5 - 4.9-30.1 HG2 LYS 36 - HE2 LYS 31 far 5 100 5 - 5.3-13.7 QB ALA 28 - HE3 LYS 26 far 5 100 5 - 5.4-9.7 HG2 LYS 24 - HE3 LYS 26 far 5 100 5 - 5.4-12.1 HB2 LEU 42 - HE3 LYS 36 far 5 99 5 - 5.0-13.1 QB ALA 109 - HE3 LYS 26 far 5 99 5 - 5.3-26.1 QB ALA 109 - HE3 LYS 19 far 5 98 5 - 4.7-41.8 QB ALA 109 - HE2 LYS 19 far 5 98 5 - 5.1-43.2 QB ALA 15 - HE2 LYS 24 far 5 97 5 - 2.0-19.1 HG2 LYS 36 - HE3 LYS 31 far 5 97 5 - 5.1-14.9 HG3 LYS 26 - HE2 LYS 24 far 5 97 5 - 5.0-12.3 QB ALA 29 - HE2 LYS 24 far 5 97 5 - 5.6-13.5 QB ALA 16 - HE3 LYS 36 far 5 97 5 - 5.5-25.6 HG3 LYS 31 - HE2 LYS 24 far 5 96 5 - 4.1-18.0 HG3 LYS 95 - HE2 LYS 24 far 5 96 5 - 5.2-35.1 QB ALA 16 - HE2 LYS 24 far 5 92 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 5 92 5 - 5.0-24.1 QB ALA 15 - HE3 LYS 24 far 4 84 5 - 2.0-19.1 HG3 LYS 26 - HE3 LYS 24 far 4 84 5 - 5.5-12.7 HG3 LYS 95 - HE3 LYS 24 far 4 83 5 - 4.2-36.6 HG3 LYS 31 - HE3 LYS 24 far 4 83 5 - 5.2-18.7 HG2 LYS 95 - HE3 LYS 24 far 4 80 5 - 4.3-36.3 QB ALA 16 - HE3 LYS 24 far 4 77 5 - 4.4-18.8 QB ALA 12 - HE3 LYS 24 far 3 61 5 - 5.0-19.7 QB ALA 12 - HE2 LYS 19 lone 0 79 30 1 4.2-15.0 HG2 LYS 24 - HE3 LYS 36 far 0 100 0 - 5.7-27.3 HG2 LYS 95 - HE2 LYS 24 far 0 94 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 99 0 - 5.7-22.4 HG3 LYS 26 - HE3 LYS 31 far 0 97 0 - 5.8-14.5 QB ALA 16 - HE2 LYS 31 far 0 96 0 - 5.8-23.5 QB ALA 108 - HE3 LYS 26 far 0 100 0 - 5.8-24.3 HG2 LYS 24 - HE2 LYS 26 far 0 100 0 - 5.9-12.0 QB ALA 28 - HE2 LYS 26 far 0 100 0 - 5.9-10.2 QB ALA 108 - HE2 LYS 24 far 0 97 0 - 6.0-32.3 QB ALA 12 - HE2 LYS 31 far 0 80 0 - 6.0-23.5 HB2 LEU 42 - HE2 LYS 36 far 0 99 0 - 6.0-12.2 QB ALA 12 - HE2 LYS 24 far 0 75 0 - 6.2-19.2 QB ALA 108 - HE3 LYS 24 far 0 84 0 - 6.2-33.6 QB ALA 29 - HE3 LYS 24 far 0 84 0 - 6.3-14.0 HG2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-27.7 HG3 LYS 31 - HE3 LYS 19 far 0 99 0 - 6.4-26.3 QB ALA 108 - HE3 LYS 31 far 0 97 0 - 6.5-27.3 HG2 LYS 19 - HE3 LYS 31 far 0 93 0 - 6.5-27.2 QB ALA 28 - HE2 LYS 36 far 0 100 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 99 0 - 6.6-27.0 HG3 LYS 31 - HE2 LYS 19 far 0 99 0 - 6.7-25.4 HG2 LYS 24 - HE3 LYS 31 far 0 96 0 - 6.8-19.4 QB ALA 16 - HE2 LYS 36 far 0 97 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 99 0 - 6.8-23.2 QB ALA 108 - HE2 LYS 26 far 0 100 0 - 6.9-25.5 QB ALA 28 - HE3 LYS 36 far 0 100 0 - 7.0-15.7 QB ALA 108 - HE3 LYS 19 far 0 99 0 - 7.0-40.8 QB ALA 12 - HE3 LYS 31 far 0 75 0 - 7.1-22.7 QB ALA 108 - HE2 LYS 19 far 0 99 0 - 7.3-42.2 HG2 LYS 19 - HE2 LYS 31 far 0 97 0 - 7.3-26.4 QB ALA 108 - HE2 LYS 31 far 0 100 0 - 7.3-27.8 QB ALA 15 - HE3 LYS 36 far 0 100 0 - 7.3-25.5 QB ALA 109 - HE2 LYS 24 far 0 95 0 - 7.4-34.3 HG2 LYS 24 - HE2 LYS 31 far 0 100 0 - 7.5-19.4 QB ALA 15 - HE2 LYS 36 far 0 100 0 - 7.5-24.9 HG2 LYS 36 - HE3 LYS 24 far 0 84 0 - 8.0-27.5 QB ALA 110 - HE3 LYS 19 far 0 99 0 - 8.2-44.5 HG2 LYS 19 - HE3 LYS 36 far 0 97 0 - 8.5-33.7 QB ALA 29 - HE3 LYS 19 far 0 99 0 - 8.6-21.0 HG2 LYS 19 - HE2 LYS 26 far 0 97 0 - 8.8-26.0 HB2 LEU 42 - HE2 LYS 26 far 0 99 0 - 8.8-28.4 QB ALA 109 - HE3 LYS 24 far 0 81 0 - 8.9-35.4 QB ALA 15 - HE3 LYS 26 far 0 100 0 - 8.9-21.0 QB ALA 15 - HE2 LYS 26 far 0 100 0 - 8.9-21.6 HG2 LYS 36 - HE2 LYS 19 far 0 99 0 - 8.9-36.8 QB ALA 109 - HE3 LYS 31 far 0 95 0 - 9.0-28.2 QB ALA 110 - HE2 LYS 19 far 0 99 0 - 9.0-45.8 HB2 LEU 42 - HE2 LYS 31 far 0 99 0 - 9.0-18.7 HG2 LYS 36 - HE3 LYS 19 far 0 99 0 - 9.3-36.8 QB ALA 110 - HE3 LYS 31 far 0 97 0 - 9.3-29.0 QB ALA 29 - HE2 LYS 19 far 0 99 0 - 9.4-21.8 QB ALA 109 - HE2 LYS 31 far 0 99 0 - 9.4-28.8 HB2 LEU 42 - HE3 LYS 26 far 0 99 0 - 9.5-27.9 QB ALA 12 - HE3 LYS 36 far 0 81 0 - 9.5-25.2 QB ALA 12 - HE2 LYS 36 far 0 81 0 - 9.8-25.9 QB ALA 16 - HE3 LYS 26 far 0 96 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 96 0 - 9.9-22.6 QB ALA 110 - HE2 LYS 24 far 0 97 0 - 9.9-37.5 Violated in 0 structures by 0.00 A. Peak 1066 from aliabs.peaks (1.46, 2.96, 41.80 ppm; 4.23 A): 11 out of 61 assignments used, quality = 1.00: HG3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.0-4.1 4.0=100 * HG3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.5 4.0=100 HG2 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.3-4.1 3.7=100 HG2 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.1-4.2 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 92 92 100 100 2.0-3.9 4.0=100 HG3 LYS 19 + HE2 LYS 19 OK 79 79 100 100 2.3-4.0 3.8=100 HG3 LYS 19 + HE3 LYS 19 OK 79 79 100 100 2.3-3.8 3.8=100 HG3 LYS 24 + HE3 LYS 24 OK 77 77 100 100 2.2-4.2 4.0=100 HG2 LYS 26 + HE2 LYS 26 OK 63 63 100 100 2.0-3.9 3.6=100 HG2 LYS 26 + HE3 LYS 26 OK 62 62 100 100 2.0-4.0 3.6=100 HG3 LYS 86 + HE3 LYS 86 OK 56 56 100 100 3.3-3.7 3.7=100 HG3 LYS 36 - HE2 LYS 26 poor 20 100 20 - 4.5-27.4 HG3 LYS 24 - HE2 LYS 19 poor 19 95 20 - 3.7-17.8 HG3 LYS 36 - HE3 LYS 26 poor 15 100 25 61 4.4-26.9 3.0/1003=6...(16) HG3 LYS 19 - HE2 LYS 24 poor 15 75 20 - 3.4-18.5 HG3 LYS 24 - HE3 LYS 19 poor 12 95 25 49 4.5-18.1 823/5.1=2, 822/6.4=2...(6) HG2 LYS 31 - HE2 LYS 26 far 10 100 10 - 3.8-19.7 HG2 LYS 31 - HE2 LYS 36 far 10 100 10 - 4.9-14.4 HG2 LYS 31 - HE3 LYS 26 far 10 100 10 - 5.3-19.4 HG2 LYS 26 - HE3 LYS 36 far 9 63 15 - 3.8-24.9 HG2 LYS 26 - HE2 LYS 36 far 9 63 15 - 4.1-24.5 HG3 LYS 19 - HE3 LYS 24 far 9 61 15 - 4.8-19.1 HG LEU 42 - HE3 LYS 36 far 6 63 10 - 4.4-13.5 HG LEU 42 - HE2 LYS 36 far 6 63 10 - 4.8-12.8 HG3 LYS 36 - HE2 LYS 31 far 5 100 5 - 4.4-14.3 HG2 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.4-14.2 HG3 LYS 36 - HE3 LYS 31 far 5 97 5 - 3.7-15.5 HG2 LYS 31 - HE2 LYS 24 far 5 97 5 - 3.3-18.4 HG3 LYS 36 - HE2 LYS 24 far 5 97 5 - 4.6-28.4 HG3 LYS 24 - HE2 LYS 36 far 5 97 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 5 97 5 - 4.8-25.5 HG2 LYS 31 - HE3 LYS 24 far 4 84 5 - 4.0-19.0 HG2 LYS 26 - HE2 LYS 31 far 3 63 5 - 5.4-15.0 HG2 LYS 26 - HE2 LYS 24 far 0 58 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 46 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 58 0 - 6.0-14.4 HG3 LYS 36 - HE3 LYS 24 far 0 84 0 - 6.2-28.3 HG3 LYS 24 - HE3 LYS 26 far 0 96 0 - 6.5-13.4 HG3 LYS 24 - HE2 LYS 26 far 0 96 0 - 6.7-12.9 QB ALA 52 - HE3 LYS 19 far 0 79 0 - 6.9-30.9 QB ALA 52 - HE3 LYS 24 far 0 61 0 - 7.0-24.3 QB ALA 52 - HE2 LYS 24 far 0 75 0 - 7.1-25.0 HG3 LYS 19 - HE3 LYS 31 far 0 75 0 - 7.1-28.4 HG2 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.3-26.2 QB ALA 52 - HE2 LYS 26 far 0 80 0 - 7.4-24.3 HG3 LYS 19 - HE2 LYS 31 far 0 80 0 - 7.5-27.6 HG2 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.9 HG3 LYS 19 - HE2 LYS 26 far 0 80 0 - 8.0-25.3 QB ALA 52 - HE2 LYS 19 far 0 79 0 - 8.1-30.6 HG3 LYS 24 - HE3 LYS 31 far 0 92 0 - 8.2-17.8 QB ALA 52 - HE3 LYS 26 far 0 80 0 - 8.2-24.6 QB ALA 52 - HE3 LYS 36 far 0 81 0 - 8.5-17.5 HG3 LYS 24 - HE2 LYS 31 far 0 96 0 - 8.5-17.7 QB ALA 92 - HE3 LYS 86 far 0 35 0 - 8.8-11.2 QB ALA 52 - HE2 LYS 36 far 0 81 0 - 9.0-16.4 HG LEU 42 - HE2 LYS 26 far 0 63 0 - 9.1-27.6 HG3 LYS 19 - HE3 LYS 26 far 0 80 0 - 9.3-25.2 QB ALA 52 - HE3 LYS 31 far 0 75 0 - 9.4-24.2 HG3 LYS 19 - HE3 LYS 36 far 0 81 0 - 9.6-33.4 HG3 LYS 36 - HE2 LYS 19 far 0 99 0 - 9.7-36.8 QB ALA 92 - HE3 LYS 24 far 0 44 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 1067 from aliabs.peaks (1.66, 2.96, 41.80 ppm; 3.83 A): 22 out of 119 assignments used, quality = 1.00: HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 95 95 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 94 94 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 94 94 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 92 92 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 92 92 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 68 68 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 66 66 100 100 2.5-3.0 3.0=100 HD2 LYS 36 - HE3 LYS 26 poor 20 100 20 - 2.5-24.7 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD2 LYS 19 - HE2 LYS 24 poor 18 90 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 18 88 20 - 2.7-18.2 HD2 LYS 36 - HE2 LYS 26 far 15 100 15 - 3.3-25.2 HD2 LYS 24 - HE3 LYS 19 far 15 99 15 - 3.9-18.3 HD3 LYS 19 - HE3 LYS 24 poor 15 73 20 - 2.2-19.0 HD3 LYS 24 - HE3 LYS 19 far 15 97 15 - 3.7-17.8 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE3 LYS 26 far 10 100 10 - 3.6-25.8 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 100 10 - 4.7-26.1 HD2 LYS 24 - HE2 LYS 19 far 10 99 10 - 5.2-19.0 HD2 LYS 36 - HE3 LYS 31 far 10 97 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 97 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 8 76 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 7 97 25 28 4.2-18.5 2631/5.1=1, 632/3.8=1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD2 LYS 31 - HE2 LYS 36 far 5 99 5 - 4.6-13.1 HD2 LYS 31 - HE3 LYS 26 far 5 99 5 - 5.2-17.8 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 5 97 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 96 5 - 4.7-18.8 HD3 LYS 95 - HE3 LYS 24 far 4 83 5 - 5.3-36.2 HD3 LYS 31 - HE3 LYS 24 far 4 83 5 - 5.0-18.2 HD3 LYS 26 - HE3 LYS 36 lone 2 100 20 10 3.8-24.9 1031/4.9=2, 10812/10721=1 HD3 LYS 26 - HE2 LYS 36 lone 2 100 20 9 2.9-24.6 1031/4.9=2, 10812/10721=1 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 98 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 96 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 95 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 96 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 80 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 81 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 98 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 97 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 85 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 93 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 70 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 85 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 97 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 98 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 42 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 88 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 84 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 94 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 90 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 83 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 96 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 93 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 48 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 85 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 69 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 90 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 84 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 89 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 90 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 98 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 93 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 96 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 96 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 87 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 93 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 85 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 95 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 83 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 89 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 90 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 93 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 84 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 1068 from aliabs.peaks (1.66, 2.96, 41.80 ppm; 3.83 A): 22 out of 119 assignments used, quality = 1.00: HD3 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 99 99 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 97 97 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 97 97 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 96 96 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 95 95 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 95 95 100 100 2.4-3.0 2.9=100 HD3 LYS 24 + HE2 LYS 24 OK 94 94 100 100 2.3-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 93 93 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 93 93 100 100 2.3-3.0 2.9=100 HD2 LYS 24 + HE3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 69 69 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 67 67 100 100 2.5-3.0 3.0=100 HD3 LYS 26 - HE2 LYS 36 poor 20 100 20 - 2.9-24.6 HD2 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.3-25.8 HD3 LYS 26 - HE3 LYS 36 poor 20 100 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 20 100 20 - 2.5-24.7 HD2 LYS 19 - HE2 LYS 24 poor 18 92 20 - 2.6-17.0 HD3 LYS 19 - HE2 LYS 24 poor 18 89 20 - 2.7-18.2 HD2 LYS 36 - HE2 LYS 26 far 15 100 15 - 3.3-25.2 HD3 LYS 19 - HE3 LYS 24 poor 15 75 20 - 2.2-19.0 HD2 LYS 24 - HE3 LYS 19 far 15 99 15 - 3.9-18.3 HD3 LYS 24 - HE3 LYS 19 far 15 97 15 - 3.7-17.8 HD2 LYS 26 - HE2 LYS 36 far 10 100 10 - 1.9-25.5 HD2 LYS 36 - HE2 LYS 31 far 10 100 10 - 3.1-14.2 HD3 LYS 36 - HE3 LYS 26 far 10 100 10 - 3.6-25.8 HD3 LYS 36 - HE2 LYS 31 far 10 100 10 - 4.3-13.8 HD3 LYS 36 - HE2 LYS 26 far 10 100 10 - 4.7-26.1 HD2 LYS 24 - HE2 LYS 19 far 10 99 10 - 5.2-19.0 HD2 LYS 36 - HE3 LYS 31 far 10 97 10 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 10 97 10 - 4.6-14.9 HD2 LYS 19 - HE3 LYS 24 far 8 77 10 - 2.9-18.4 HD3 LYS 24 - HE2 LYS 19 poor 7 97 25 28 4.2-18.5 2631/5.1=1, 632/3.8=1 HD2 LYS 26 - HE2 LYS 31 far 5 100 5 - 3.3-15.6 HD3 LYS 26 - HE2 LYS 31 far 5 100 5 - 4.2-14.6 HD3 LYS 31 - HE2 LYS 36 far 5 100 5 - 4.3-12.0 HD3 LYS 31 - HE3 LYS 26 far 5 100 5 - 3.6-17.7 HD3 LYS 31 - HE2 LYS 26 far 5 100 5 - 4.6-18.1 HD2 LYS 24 - HE2 LYS 36 far 5 100 5 - 5.2-24.7 HD3 LYS 31 - HE3 LYS 36 far 5 100 5 - 5.3-12.3 HD2 LYS 31 - HE2 LYS 36 far 5 99 5 - 4.6-13.1 HD2 LYS 31 - HE3 LYS 26 far 5 99 5 - 5.2-17.8 HD3 LYS 36 - HE3 LYS 31 far 5 97 5 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 5 97 5 - 4.9-15.3 HD3 LYS 31 - HE2 LYS 24 far 5 97 5 - 4.7-18.8 HD3 LYS 95 - HE3 LYS 24 far 4 84 5 - 5.3-36.2 HD3 LYS 31 - HE3 LYS 24 far 4 83 5 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 36 far 0 99 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 99 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 97 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 98 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 96 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 99 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 97 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 96 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 97 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 81 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 82 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 99 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 97 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 86 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 94 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 100 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 72 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 100 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 100 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 87 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 97 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 70 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 97 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 97 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 99 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 44 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 89 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 94 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 84 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 95 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 92 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 99 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 97 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 84 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 95 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 99 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 49 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 87 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 67 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 92 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 84 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 98 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 87 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 100 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 92 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 99 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 98 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 94 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 97 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 96 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 96 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 89 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 95 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 99 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 87 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 96 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 81 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 87 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 91 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 94 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 86 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 1069 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 99 99 - 100 HE2 LYS 19 + HE2 LYS 19 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 95 95 - 100 HE2 LYS 24 + HE2 LYS 24 OK 95 95 - 100 HE3 LYS 24 + HE3 LYS 24 OK 75 75 - 100 HE3 LYS 86 + HE3 LYS 86 OK 69 69 - 100 Reference assignment not found: HE2 LYS 36 - HE3 LYS 36 Peak 1070 from aliabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 * HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 99 99 - 100 HE2 LYS 19 + HE2 LYS 19 OK 99 99 - 100 HE3 LYS 31 + HE3 LYS 31 OK 95 95 - 100 HE2 LYS 24 + HE2 LYS 24 OK 95 95 - 100 HE3 LYS 24 + HE3 LYS 24 OK 75 75 - 100 HE3 LYS 86 + HE3 LYS 86 OK 69 69 - 100 Peak 1073 from aliabs.peaks (4.02, 4.02, 61.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 37 + HA ILE 37 OK 100 100 - 100 HA SER 60 + HA SER 60 OK 65 65 - 100 Peak 1074 from aliabs.peaks (1.97, 4.02, 61.09 ppm; 3.71 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 37 + HA ILE 37 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 PRO 58 + HA SER 60 OK 45 52 95 92 4.7-6.7 10981/3.6=33...(17) HB2 GLN 27 - HA SER 60 far 4 70 5 - 4.3-20.7 HB2 GLN 27 - HA ILE 37 far 0 100 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 1075 from aliabs.peaks (0.93, 4.02, 61.09 ppm; 3.28 A): 2 out of 14 assignments used, quality = 1.00: * QG2 ILE 37 + HA ILE 37 OK 100 100 100 100 2.0-2.7 3.2=100 QG2 VAL 63 + HA SER 60 OK 36 45 90 88 3.3-5.1 2.1/2020=48...(12) QG2 VAL 112 - HA SER 60 far 6 65 10 - 4.3-16.3 QD1 LEU 62 - HA SER 60 far 3 50 5 - 4.7-7.4 QG1 VAL 20 - HA ILE 37 far 0 68 0 - 5.2-25.1 QD1 LEU 48 - HA ILE 37 far 0 71 0 - 5.3-12.6 QD1 LEU 119 - HA SER 60 far 0 70 0 - 7.3-12.1 QG2 VAL 126 - HA ILE 37 far 0 63 0 - 7.4-14.2 QG1 VAL 126 - HA ILE 37 far 0 78 0 - 7.5-14.8 QG1 VAL 57 - HA SER 60 far 0 68 0 - 7.8-8.8 QD1 LEU 49 - HA ILE 37 far 0 78 0 - 8.1-14.3 QG1 VAL 105 - HA SER 60 far 0 54 0 - 8.7-13.0 QD1 LEU 48 - HA SER 60 far 0 43 0 - 9.3-16.5 QD1 LEU 123 - HA SER 60 far 0 67 0 - 9.7-15.8 Violated in 0 structures by 0.00 A. Peak 1076 from aliabs.peaks (1.27, 4.02, 61.09 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HA ILE 37 OK 100 100 100 100 3.2-4.1 1097=100, 1.8/1105=78...(32) HB3 LEU 43 - HA ILE 37 far 0 95 0 - 7.8-12.0 Violated in 1 structures by 0.01 A. Peak 1077 from aliabs.peaks (1.55, 4.02, 61.09 ppm; 3.94 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 37 + HA ILE 37 OK 100 100 100 100 2.8-4.2 1105=100, 1.8/1097=80...(31) HB3 LEU 42 + HA ILE 37 OK 25 97 30 85 3.5-7.8 ~10826=22, ~10821=22...(12) HG LEU 103 - HA SER 60 far 0 70 0 - 6.8-8.5 HB2 LEU 22 - HA SER 60 far 0 66 0 - 7.1-29.2 HG LEU 49 - HA ILE 37 far 0 87 0 - 7.8-15.2 HG2 ARG 23 - HA ILE 37 far 0 98 0 - 8.7-27.8 HG2 ARG 23 - HA SER 60 far 0 67 0 - 9.3-28.4 HB2 LEU 119 - HA SER 60 far 0 67 0 - 9.4-14.4 HB2 LEU 103 - HA SER 60 far 0 47 0 - 9.7-11.4 Violated in 3 structures by 0.03 A. Peak 1078 from aliabs.peaks (0.77, 4.02, 61.09 ppm; 3.38 A): 2 out of 15 assignments used, quality = 1.00: * QD1 ILE 37 + HA ILE 37 OK 100 100 100 100 2.4-4.2 1113=88, 1094/1089=67...(33) QG1 VAL 63 + HA SER 60 OK 48 61 85 92 3.5-5.0 2.1/2020=51, 10978=48...(14) QD1 ILE 32 - HA ILE 37 far 5 100 5 - 4.0-10.4 QD2 LEU 49 - HA ILE 37 far 0 60 0 - 5.6-12.4 QD2 LEU 119 - HA SER 60 far 0 50 0 - 5.6-14.1 QD1 ILE 32 - HA SER 60 far 0 71 0 - 5.7-16.0 QD1 LEU 103 - HA SER 60 far 0 63 0 - 6.0-8.4 QD2 LEU 43 - HA ILE 37 far 0 73 0 - 6.8-10.4 QD2 LEU 122 - HA SER 60 far 0 55 0 - 7.4-11.9 QG1 VAL 93 - HA ILE 37 far 0 87 0 - 8.7-13.8 QD1 LEU 96 - HA ILE 37 far 0 100 0 - 8.8-12.9 QD1 LEU 53 - HA SER 60 far 0 43 0 - 8.9-14.8 QD2 LEU 96 - HA ILE 37 far 0 85 0 - 9.1-14.6 QD2 LEU 49 - HA SER 60 far 0 36 0 - 9.6-11.9 QD1 ILE 37 - HA SER 60 far 0 71 0 - 9.7-18.7 Violated in 10 structures by 0.15 A. Peak 1081 from aliabs.peaks (4.02, 1.97, 37.79 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 37 + HB ILE 37 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 SER 38 + HB ILE 37 OK 22 89 25 97 4.7-7.0 3.9/6422=42, 1.8/9003=30...(26) HA GLN 68 - HB ILE 37 far 4 87 5 - 4.5-12.6 HD3 PRO 81 - HB ILE 37 far 0 90 0 - 8.1-17.1 HA GLU 44 - HB ILE 37 far 0 81 0 - 8.4-13.3 HA VAL 20 - HB ILE 37 far 0 57 0 - 8.5-28.9 Violated in 0 structures by 0.00 A. Peak 1082 from aliabs.peaks (1.97, 1.97, 37.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HB ILE 37 OK 100 100 - 100 Peak 1083 from aliabs.peaks (0.93, 1.97, 37.79 ppm; 3.11 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 20 - HB ILE 37 far 0 68 0 - 4.8-26.6 QG1 VAL 126 - HB ILE 37 far 0 78 0 - 7.1-14.2 QD1 LEU 48 - HB ILE 37 far 0 71 0 - 7.2-14.3 QG2 VAL 126 - HB ILE 37 far 0 63 0 - 8.1-14.1 QD1 LEU 49 - HB ILE 37 far 0 78 0 - 9.4-14.2 Violated in 0 structures by 0.00 A. Peak 1084 from aliabs.peaks (1.27, 1.97, 37.79 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HB ILE 37 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 43 - HB ILE 37 far 0 95 0 - 8.0-13.1 Violated in 0 structures by 0.00 A. Peak 1085 from aliabs.peaks (1.55, 1.97, 37.79 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 37 + HB ILE 37 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 42 + HB ILE 37 OK 20 97 25 84 3.5-8.9 ~10821=24, ~10826=24...(14) HG2 ARG 23 - HB ILE 37 far 0 98 0 - 8.2-28.4 HG LEU 49 - HB ILE 37 far 0 87 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 1086 from aliabs.peaks (0.77, 1.97, 37.79 ppm; 3.47 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 37 + HB ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 QD1 ILE 32 - HB ILE 37 far 0 100 0 - 5.5-10.8 QD2 LEU 49 - HB ILE 37 far 0 60 0 - 6.8-12.6 QD2 LEU 43 - HB ILE 37 far 0 73 0 - 7.0-11.4 QD1 LEU 96 - HB ILE 37 far 0 100 0 - 8.1-13.1 QG1 VAL 93 - HB ILE 37 far 0 87 0 - 8.6-12.6 QD2 LEU 96 - HB ILE 37 far 0 85 0 - 9.1-14.0 QG1 VAL 63 - HB ILE 37 far 0 93 0 - 9.3-17.2 QD2 LEU 122 - HB ILE 37 far 0 87 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 1089 from aliabs.peaks (4.02, 0.93, 17.29 ppm; 2.90 A): 1 out of 8 assignments used, quality = 1.00: * HA ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.0-2.7 3.2=75, 1113/1094=42...(36) HA GLN 68 - QG2 ILE 37 far 13 87 15 - 3.1-9.4 HB2 SER 38 - QG2 ILE 37 far 0 89 0 - 5.7-6.9 HA VAL 20 - QG2 ILE 37 far 0 57 0 - 6.0-24.4 HD3 PRO 81 - QG2 ILE 37 far 0 90 0 - 6.9-13.5 HA GLU 44 - QG2 ILE 37 far 0 81 0 - 7.3-11.8 HA LEU 122 - QG2 ILE 37 far 0 85 0 - 8.6-16.5 HA SER 50 - QG2 ILE 37 far 0 73 0 - 9.6-16.6 Violated in 0 structures by 0.00 A. Peak 1090 from aliabs.peaks (1.97, 0.93, 17.29 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1091 from aliabs.peaks (0.93, 0.93, 17.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 37 + QG2 ILE 37 OK 100 100 - 100 Peak 1092 from aliabs.peaks (1.27, 0.93, 17.29 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.1-3.2 3.2=89, 2.1/1094=73...(30) HB3 LEU 43 - QG2 ILE 37 far 0 95 0 - 7.8-11.4 Violated in 16 structures by 0.08 A. Peak 1093 from aliabs.peaks (1.55, 0.93, 17.29 ppm; 3.00 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 37 + QG2 ILE 37 OK 100 100 100 100 2.0-3.0 3.2=83, 2.1/1094=70...(27) HB3 LEU 42 - QG2 ILE 37 far 10 97 10 - 3.6-8.0 HG LEU 49 - QG2 ILE 37 far 0 87 0 - 6.2-13.0 HG2 ARG 23 - QG2 ILE 37 far 0 98 0 - 6.2-23.9 HG LEU 123 - QG2 ILE 37 far 0 96 0 - 8.7-17.7 HB2 LEU 22 - QG2 ILE 37 far 0 97 0 - 8.8-23.2 Violated in 0 structures by 0.00 A. Peak 1094 from aliabs.peaks (0.77, 0.93, 17.29 ppm; 2.64 A): 1 out of 12 assignments used, quality = 1.00: * QD1 ILE 37 + QG2 ILE 37 OK 100 100 100 100 1.8-3.2 1115=93, 2.1/1093=48...(32) QD2 LEU 49 - QG2 ILE 37 far 3 60 5 - 4.0-10.0 QD1 ILE 32 - QG2 ILE 37 far 0 100 0 - 4.6-8.6 QD1 LEU 96 - QG2 ILE 37 far 0 100 0 - 6.1-9.7 QD2 LEU 43 - QG2 ILE 37 far 0 73 0 - 6.8-9.7 QD2 LEU 96 - QG2 ILE 37 far 0 85 0 - 6.8-11.2 QD2 LEU 122 - QG2 ILE 37 far 0 87 0 - 6.9-13.7 QG1 VAL 93 - QG2 ILE 37 far 0 87 0 - 7.1-10.9 QG1 VAL 63 - QG2 ILE 37 far 0 93 0 - 7.2-13.5 HG12 ILE 129 - QG2 ILE 37 far 0 78 0 - 9.5-13.7 QD1 LEU 53 - QG2 ILE 37 far 0 71 0 - 9.7-15.1 QD2 LEU 119 - QG2 ILE 37 far 0 81 0 - 9.9-18.3 Violated in 4 structures by 0.06 A. Peak 1097 from aliabs.peaks (4.02, 1.27, 27.60 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 37 + HG12 ILE 37 OK 100 100 100 100 3.2-4.1 1076=92, 1105/1.8=74...(32) HA GLN 68 - HG12 ILE 37 far 4 87 5 - 4.8-11.6 HB2 SER 38 - HG12 ILE 37 far 0 89 0 - 5.5-7.0 HA VAL 20 - HG12 ILE 37 far 0 57 0 - 9.0-29.3 HD3 PRO 81 - HG12 ILE 37 far 0 90 0 - 9.3-19.0 HA GLU 44 - HG12 ILE 37 far 0 81 0 - 9.9-13.1 Violated in 1 structures by 0.02 A. Peak 1098 from aliabs.peaks (1.97, 1.27, 27.60 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HG12 ILE 37 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1099 from aliabs.peaks (0.93, 1.27, 27.60 ppm; 3.44 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 37 + HG12 ILE 37 OK 100 100 100 100 2.1-3.2 3.2=100 QG1 VAL 20 - HG12 ILE 37 far 0 68 0 - 5.1-25.2 QD1 LEU 48 - HG12 ILE 37 far 0 71 0 - 6.3-13.7 QG1 VAL 126 - HG12 ILE 37 far 0 78 0 - 8.7-14.1 QG2 VAL 126 - HG12 ILE 37 far 0 63 0 - 8.8-14.4 QD1 LEU 49 - HG12 ILE 37 far 0 78 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 1100 from aliabs.peaks (1.27, 1.27, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 37 + HG12 ILE 37 OK 100 100 - 100 Peak 1101 from aliabs.peaks (1.55, 1.27, 27.60 ppm; 2.95 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 37 + HG12 ILE 37 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 42 - HG12 ILE 37 far 10 97 10 - 4.2-9.8 HG2 ARG 23 - HG12 ILE 37 far 0 98 0 - 7.8-28.4 HG LEU 49 - HG12 ILE 37 far 0 87 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 1102 from aliabs.peaks (0.77, 1.27, 27.60 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * QD1 ILE 37 + HG12 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 32 - HG12 ILE 37 far 0 100 0 - 5.2-10.4 QD2 LEU 49 - HG12 ILE 37 far 0 60 0 - 6.9-12.2 QD2 LEU 43 - HG12 ILE 37 far 0 73 0 - 7.5-12.1 QG1 VAL 93 - HG12 ILE 37 far 0 87 0 - 8.2-13.0 QD2 LEU 96 - HG12 ILE 37 far 0 85 0 - 8.7-14.1 QD1 LEU 96 - HG12 ILE 37 far 0 100 0 - 9.4-13.1 QG1 VAL 63 - HG12 ILE 37 far 0 93 0 - 9.5-16.6 Violated in 0 structures by 0.00 A. Peak 1105 from aliabs.peaks (4.02, 1.55, 27.60 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.8-4.2 4.0=83, 1097/1.8=73...(31) HA GLN 68 - HG13 ILE 37 far 13 87 15 - 3.3-12.3 HB2 SER 38 - HG13 ILE 37 far 4 89 5 - 4.9-8.0 HD3 PRO 81 - HG13 ILE 37 far 0 90 0 - 8.4-19.1 HA VAL 20 - HG13 ILE 37 far 0 57 0 - 9.2-29.6 Violated in 12 structures by 0.15 A. Peak 1106 from aliabs.peaks (1.97, 1.55, 27.60 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1107 from aliabs.peaks (0.93, 1.55, 27.60 ppm; 3.52 A): 1 out of 6 assignments used, quality = 1.00: * QG2 ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.0-3.0 3.2=100 QG1 VAL 20 - HG13 ILE 37 far 0 68 0 - 5.8-24.7 QD1 LEU 48 - HG13 ILE 37 far 0 71 0 - 6.5-15.0 QG1 VAL 126 - HG13 ILE 37 far 0 78 0 - 7.8-14.8 QG2 VAL 126 - HG13 ILE 37 far 0 63 0 - 8.1-15.2 QD1 LEU 49 - HG13 ILE 37 far 0 78 0 - 9.1-15.1 Violated in 0 structures by 0.00 A. Peak 1108 from aliabs.peaks (1.27, 1.55, 27.60 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HG13 ILE 37 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 43 - HG13 ILE 37 far 0 95 0 - 9.6-14.9 Violated in 0 structures by 0.00 A. Peak 1109 from aliabs.peaks (1.55, 1.55, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 37 + HG13 ILE 37 OK 100 100 - 100 Peak 1110 from aliabs.peaks (0.77, 1.55, 27.60 ppm; 3.14 A): 1 out of 9 assignments used, quality = 1.00: * QD1 ILE 37 + HG13 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 32 - HG13 ILE 37 far 5 100 5 - 4.4-9.6 QD2 LEU 49 - HG13 ILE 37 far 0 60 0 - 6.5-13.0 QD2 LEU 43 - HG13 ILE 37 far 0 73 0 - 7.3-12.9 QG1 VAL 63 - HG13 ILE 37 far 0 93 0 - 8.1-17.1 QD1 LEU 96 - HG13 ILE 37 far 0 100 0 - 9.0-13.2 QD2 LEU 122 - HG13 ILE 37 far 0 87 0 - 9.1-17.6 QG1 VAL 93 - HG13 ILE 37 far 0 87 0 - 9.3-12.9 QD2 LEU 96 - HG13 ILE 37 far 0 85 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 1113 from aliabs.peaks (4.02, 0.77, 12.10 ppm; 3.12 A): 1 out of 19 assignments used, quality = 1.00: * HA ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.4-4.2 1078=65, 1089/1094=59...(33) HA GLN 68 - QD1 ILE 32 poor 13 60 35 62 1.9-7.5 11015/2.1=14...(13) HA GLN 68 - QD1 ILE 37 far 9 87 10 - 2.9-8.9 HB2 SER 38 - QD1 ILE 37 far 4 89 5 - 4.4-7.3 HA ILE 37 - QD1 ILE 32 far 4 76 5 - 4.0-10.4 HA GLU 44 - QD1 ILE 32 far 3 54 5 - 4.4-15.1 HA SER 60 - QD1 ILE 32 far 0 70 0 - 5.7-16.0 HA VAL 20 - QD1 ILE 32 far 0 37 0 - 6.5-17.3 HD3 PRO 81 - QD1 ILE 37 far 0 90 0 - 6.9-15.7 HA GLU 44 - QD1 ILE 37 far 0 81 0 - 7.2-12.4 HB2 SER 38 - QD1 ILE 32 far 0 61 0 - 7.9-14.5 HA SER 50 - QD1 ILE 32 far 0 49 0 - 8.7-16.3 HA VAL 20 - QD1 ILE 37 far 0 57 0 - 9.1-24.3 HA LEU 103 - QD1 ILE 32 far 0 74 0 - 9.3-17.8 HA SER 50 - QD1 ILE 37 far 0 73 0 - 9.6-17.0 HA LEU 119 - QD1 ILE 32 far 0 75 0 - 9.7-15.0 HA SER 60 - QD1 ILE 37 far 0 97 0 - 9.7-18.7 HA GLU 102 - QD1 ILE 32 far 0 41 0 - 9.7-18.8 HA LEU 122 - QD1 ILE 37 far 0 85 0 - 10.0-16.0 Violated in 11 structures by 0.46 A. Peak 1114 from aliabs.peaks (1.97, 0.77, 12.10 ppm; 3.17 A): 1 out of 8 assignments used, quality = 1.00: * HB ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-3.2 3.2=94, 2.1/1094=76...(30) HB2 GLN 27 - QD1 ILE 32 far 11 75 15 - 4.4-9.2 HB ILE 37 - QD1 ILE 32 far 0 76 0 - 5.5-10.8 HB2 PRO 58 - QD1 ILE 32 far 0 56 0 - 7.4-19.1 HB3 ARG 90 - QD1 ILE 32 far 0 60 0 - 8.0-19.7 HB3 LEU 53 - QD1 ILE 32 far 0 47 0 - 8.8-18.3 HB2 GLN 27 - QD1 ILE 37 far 0 100 0 - 9.5-15.5 HB3 PRO 81 - QD1 ILE 37 far 0 89 0 - 9.7-17.5 Violated in 9 structures by 0.02 A. Peak 1115 from aliabs.peaks (0.93, 0.77, 12.10 ppm; 2.70 A): 1 out of 24 assignments used, quality = 1.00: * QG2 ILE 37 + QD1 ILE 37 OK 100 100 100 100 1.8-3.2 1094=100, 1093/2.1=50...(32) QD1 LEU 48 - QD1 ILE 32 far 7 47 15 - 4.0-12.1 QD1 LEU 48 - QD1 ILE 37 far 4 71 5 - 3.7-11.5 QG2 ILE 37 - QD1 ILE 32 far 0 76 0 - 4.6-8.6 QG2 VAL 63 - QD1 ILE 32 far 0 49 0 - 5.3-11.3 QG1 VAL 20 - QD1 ILE 32 far 0 45 0 - 5.6-16.0 QG1 VAL 105 - QD1 ILE 32 far 0 58 0 - 5.9-16.0 QD1 LEU 49 - QD1 ILE 32 far 0 52 0 - 5.9-11.2 QG1 VAL 20 - QD1 ILE 37 far 0 68 0 - 5.9-21.9 QG2 VAL 126 - QD1 ILE 37 far 0 63 0 - 6.0-11.8 QG1 VAL 126 - QD1 ILE 37 far 0 78 0 - 6.0-10.9 QG1 VAL 57 - QD1 ILE 32 far 0 73 0 - 6.2-16.6 QD1 LEU 49 - QD1 ILE 37 far 0 78 0 - 6.3-11.8 QG2 VAL 126 - QD1 ILE 32 far 0 41 0 - 6.4-11.0 QD1 LEU 62 - QD1 ILE 32 far 0 54 0 - 6.6-11.7 QG1 VAL 126 - QD1 ILE 32 far 0 52 0 - 6.9-10.6 QD1 LEU 123 - QD1 ILE 37 far 0 98 0 - 7.4-14.5 QD1 LEU 123 - QD1 ILE 32 far 0 72 0 - 7.8-13.5 QG1 VAL 57 - QD1 ILE 37 far 0 99 0 - 8.0-18.1 QD1 LEU 62 - QD1 ILE 37 far 0 81 0 - 8.3-15.7 QG2 VAL 63 - QD1 ILE 37 far 0 73 0 - 8.7-14.5 QD1 LEU 119 - QD1 ILE 32 far 0 75 0 - 9.2-14.4 QG1 VAL 105 - QD1 ILE 37 far 0 85 0 - 9.8-17.4 QG2 VAL 112 - QD1 ILE 32 far 0 70 0 - 9.9-20.3 Violated in 3 structures by 0.05 A. Peak 1116 from aliabs.peaks (1.27, 0.77, 12.10 ppm; 2.90 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 37 - QD1 ILE 32 far 0 76 0 - 5.2-10.4 HB3 LEU 43 - QD1 ILE 37 far 0 95 0 - 6.6-11.9 HB3 LEU 43 - QD1 ILE 32 far 0 67 0 - 6.8-16.3 Violated in 0 structures by 0.00 A. Peak 1117 from aliabs.peaks (1.55, 0.77, 12.10 ppm; 2.93 A): 1 out of 13 assignments used, quality = 1.00: * HG13 ILE 37 + QD1 ILE 37 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 42 - QD1 ILE 37 poor 15 97 30 52 2.1-8.4 ~10826=11, ~10821=10...(9) HG13 ILE 37 - QD1 ILE 32 far 4 76 5 - 4.4-9.6 HG LEU 49 - QD1 ILE 32 far 0 60 0 - 5.3-12.4 HG2 ARG 23 - QD1 ILE 32 far 0 72 0 - 5.6-16.6 HB3 LEU 42 - QD1 ILE 32 far 0 71 0 - 6.1-13.4 HG LEU 49 - QD1 ILE 37 far 0 87 0 - 6.2-13.2 HG LEU 123 - QD1 ILE 32 far 0 69 0 - 8.3-16.2 HB2 LEU 22 - QD1 ILE 32 far 0 71 0 - 8.3-17.0 HG2 ARG 23 - QD1 ILE 37 far 0 98 0 - 8.3-23.4 HG LEU 103 - QD1 ILE 32 far 0 75 0 - 8.4-15.6 HG LEU 123 - QD1 ILE 37 far 0 96 0 - 8.5-17.6 HB2 LEU 103 - QD1 ILE 32 far 0 51 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 1118 from aliabs.peaks (0.77, 0.77, 12.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 37 + QD1 ILE 37 OK 100 100 - 100 QD1 ILE 32 + QD1 ILE 32 OK 76 76 - 100 Peak 1121 from aliabs.peaks (4.54, 4.54, 57.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + HA SER 38 OK 100 100 - 100 Peak 1122 from aliabs.peaks (4.00, 4.54, 57.72 ppm; 3.57 A): 2 out of 4 assignments used, quality = 1.00: * HB2 SER 38 + HA SER 38 OK 100 100 100 100 2.4-2.8 3.0=100 HA ILE 37 + HA SER 38 OK 68 89 80 96 4.8-5.3 3.2/10924=38...(21) HA GLN 68 - HA SER 38 far 0 100 0 - 6.0-14.5 HA VAL 20 - HA SER 38 far 0 95 0 - 7.9-30.7 Violated in 0 structures by 0.00 A. Peak 1123 from aliabs.peaks (4.21, 4.54, 57.72 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 38 + HA SER 38 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 34 - HA SER 38 far 5 100 5 - 4.6-8.9 Violated in 0 structures by 0.00 A. Peak 1126 from aliabs.peaks (4.54, 4.00, 64.46 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 38 + HB2 SER 38 OK 100 100 100 100 2.4-2.8 3.0=100 HA TYR 72 - HB2 SER 38 far 0 100 0 - 7.6-11.0 Violated in 0 structures by 0.00 A. Peak 1127 from aliabs.peaks (4.00, 4.00, 64.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 38 + HB2 SER 38 OK 100 100 - 100 Peak 1128 from aliabs.peaks (4.21, 4.00, 64.46 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 38 + HB2 SER 38 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 34 - HB2 SER 38 far 0 100 0 - 6.2-9.8 HB THR 25 - HB2 SER 38 far 0 68 0 - 9.4-28.2 Violated in 0 structures by 0.00 A. Peak 1131 from aliabs.peaks (4.54, 4.21, 64.46 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 38 + HB3 SER 38 OK 100 100 100 100 2.3-3.0 3.0=100 HA TYR 72 - HB3 SER 38 far 0 100 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 1132 from aliabs.peaks (4.00, 4.21, 64.46 ppm; 2.97 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 38 + HB3 SER 38 OK 100 100 100 100 1.8-1.8 1.8=100 HA ILE 37 - HB3 SER 38 poor 18 89 20 - 3.8-6.2 HA VAL 20 - HB3 SER 38 far 0 95 0 - 6.9-31.9 HA GLN 68 - HB3 SER 38 far 0 100 0 - 8.2-15.1 Violated in 0 structures by 0.00 A. Peak 1133 from aliabs.peaks (4.21, 4.21, 64.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 38 + HB3 SER 38 OK 100 100 - 100 Peak 1136 from aliabs.peaks (3.40, 3.40, 59.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 Peak 1137 from aliabs.peaks (1.76, 3.40, 59.63 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB ILE 80 - HA LYS 39 far 0 65 0 - 7.4-12.3 HB2 ARG 23 - HA LYS 39 far 0 97 0 - 8.8-31.4 HG13 ILE 129 - HA LYS 39 far 0 87 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 1138 from aliabs.peaks (2.08, 3.40, 59.63 ppm; 4.28 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 PRO 81 - HA LYS 39 poor 15 60 25 - 5.0-11.4 HB2 PRO 81 - HA LYS 39 far 4 89 5 - 5.7-11.5 HG3 GLN 134 - HA LYS 39 far 0 100 0 - 6.4-12.3 HB3 GLU 44 - HA LYS 39 far 0 99 0 - 8.4-10.0 HB3 GLN 27 - HA LYS 39 far 0 92 0 - 8.5-25.2 Violated in 0 structures by 0.00 A. Peak 1139 from aliabs.peaks (1.14, 3.40, 59.63 ppm; 4.48 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.8-4.2 4.0=100 HG3 LYS 39 + HA LYS 39 OK 68 68 100 100 2.9-3.9 4.0=100 QG2 VAL 132 - HA LYS 39 far 0 100 0 - 6.7-11.0 QG1 VAL 132 - HA LYS 39 far 0 99 0 - 8.4-12.2 Violated in 0 structures by 0.00 A. Peak 1140 from aliabs.peaks (1.16, 3.40, 59.63 ppm; 4.58 A): 3 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.9-3.9 4.0=100 QB ALA 41 + HA LYS 39 OK 81 92 100 88 4.5-5.3 3.7/6479=48, ~6466=28...(10) HG2 LYS 39 + HA LYS 39 OK 68 68 100 100 2.8-4.2 4.0=100 QG2 VAL 132 - HA LYS 39 far 0 81 0 - 6.7-11.0 QG2 THR 18 - HA LYS 39 far 0 100 0 - 6.9-32.9 QG2 THR 25 - HA LYS 39 far 0 90 0 - 7.8-24.7 QG2 VAL 77 - HA LYS 39 far 0 71 0 - 7.9-10.5 Violated in 0 structures by 0.00 A. Peak 1141 from aliabs.peaks (1.68, 3.40, 59.63 ppm; 4.91 A): 1 out of 7 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.9-5.2 5.3=80, 1.8/1205=73...(12) HB2 LEU 43 - HA LYS 39 poor 14 71 20 - 5.1-7.9 HD3 LYS 36 - HA LYS 39 far 4 87 5 - 6.1-14.2 HD2 LYS 36 - HA LYS 39 far 0 89 0 - 6.5-12.5 HB2 LEU 69 - HA LYS 39 far 0 60 0 - 8.6-13.4 HD3 LYS 24 - HA LYS 39 far 0 68 0 - 9.4-30.1 HG2 ARG 135 - HA LYS 39 far 0 76 0 - 9.7-14.7 Violated in 17 structures by 0.11 A. Peak 1142 from aliabs.peaks (1.71, 3.40, 59.63 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HA LYS 39 OK 100 100 100 100 3.8-4.9 1205=87, 1204/2.8=59...(13) HB2 LEU 43 - HA LYS 39 poor 19 97 20 - 5.1-7.9 HB ILE 80 - HA LYS 39 far 0 78 0 - 7.4-12.3 HG2 ARG 135 - HA LYS 39 far 0 96 0 - 9.7-14.7 Violated in 0 structures by 0.00 A. Peak 1143 from aliabs.peaks (2.93, 3.40, 59.63 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.7-5.8 5.9=100 HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 5.0-6.0 5.9=100 HB2 CYS 45 - HA LYS 39 far 5 99 5 - 7.4-10.3 HE2 LYS 31 - HA LYS 39 far 0 57 0 - 9.8-20.7 Violated in 0 structures by 0.00 A. Peak 1144 from aliabs.peaks (2.93, 3.40, 59.63 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.7-5.8 5.9=100 * HE3 LYS 39 + HA LYS 39 OK 100 100 100 100 5.0-6.0 5.9=100 HB2 CYS 45 - HA LYS 39 far 5 99 5 - 7.4-10.3 HE2 LYS 31 - HA LYS 39 far 0 57 0 - 9.8-20.7 Violated in 0 structures by 0.00 A. Peak 1145 from aliabs.peaks (8.29, 3.40, 59.63 ppm; 6.11 A): 2 out of 6 assignments used, quality = 1.00: H LEU 43 + HA LYS 39 OK 100 100 100 100 3.4-4.8 6494=100, 6504/10870=86...(20) * H GLU 40 + HA LYS 39 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 131 - HA LYS 39 far 0 92 0 - 7.7-12.0 H ALA 21 - HA LYS 39 far 0 71 0 - 8.5-33.4 H LEU 69 - HA LYS 39 far 0 97 0 - 8.6-14.0 H ARG 23 - HA LYS 39 far 0 68 0 - 9.9-29.4 Violated in 0 structures by 0.00 A. Peak 1146 from aliabs.peaks (7.49, 3.40, 59.63 ppm; 6.30 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LYS 39 OK 100 100 100 100 3.3-4.0 6479=100, 6490/10870=85...(14) H GLN 134 + HA LYS 39 OK 60 100 60 100 5.4-9.7 4250/10578=89...(14) Violated in 0 structures by 0.00 A. Peak 1147 from aliabs.peaks (1.37, 3.40, 59.63 ppm; 5.00 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 42 + HA LYS 39 OK 100 100 100 100 2.1-4.2 1.8/1148=85...(10) HG2 LYS 36 - HA LYS 39 far 0 99 0 - 7.9-13.2 QB ALA 21 - HA LYS 39 far 0 65 0 - 8.4-29.1 QB ALA 12 - HA LYS 39 far 0 93 0 - 8.8-33.2 QB ALA 16 - HA LYS 39 far 0 87 0 - 8.9-30.0 HG2 LYS 24 - HA LYS 39 far 0 100 0 - 9.3-30.2 QB ALA 29 - HA LYS 39 far 0 100 0 - 9.8-16.1 Violated in 0 structures by 0.00 A. Peak 1148 from aliabs.peaks (1.54, 3.40, 59.63 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HA LYS 39 OK 100 100 100 100 2.6-5.0 1.8/1147=74...(11) HG13 ILE 37 - HA LYS 39 far 5 97 5 - 4.7-9.4 HG LEU 69 - HA LYS 39 far 0 60 0 - 7.3-11.9 Violated in 3 structures by 0.02 A. Peak 1150 from aliabs.peaks (3.40, 1.76, 32.42 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 67 - HB2 LYS 24 far 0 54 0 - 6.6-24.6 HB3 HIS 67 - HB2 LYS 26 far 0 58 0 - 7.9-18.2 HB3 HIS 67 - HB2 LYS 31 far 0 47 0 - 8.7-18.6 Violated in 0 structures by 0.00 A. Peak 1151 from aliabs.peaks (1.76, 1.76, 32.42 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 HB2 LYS 26 + HB2 LYS 26 OK 49 49 - 100 HB2 LYS 24 + HB2 LYS 24 OK 44 44 - 100 HB2 LYS 19 + HB2 LYS 19 OK 41 41 - 100 HB2 LYS 31 + HB2 LYS 31 OK 37 37 - 100 Peak 1152 from aliabs.peaks (2.08, 1.76, 32.42 ppm; 3.58 A): 1 out of 36 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB2 LYS 26 poor 18 52 35 - 4.0-7.8 HB2 PRO 81 - HB2 LYS 39 far 13 89 15 - 4.2-12.0 HG3 PRO 81 - HB2 LYS 39 far 9 60 15 - 3.9-12.0 HB3 GLN 27 - HB2 LYS 24 far 2 48 5 - 3.9-13.2 HB3 GLN 27 - HB2 LYS 31 far 2 42 5 - 3.9-11.5 HG3 PRO 58 - HB2 LYS 19 far 0 46 0 - 5.4-35.4 HB2 GLN 61 - HB2 LYS 26 far 0 46 0 - 5.4-25.0 HB3 GLN 61 - HB2 LYS 26 far 0 41 0 - 5.6-24.8 HB3 GLN 27 - HB2 LYS 19 far 0 46 0 - 5.8-22.6 HG3 PRO 58 - HB2 LYS 26 far 0 52 0 - 5.8-25.1 HB3 GLU 44 - HB2 LYS 26 far 0 60 0 - 5.8-27.2 HB2 GLN 61 - HB2 LYS 24 far 0 43 0 - 6.0-25.6 HB3 GLU 44 - HB2 LYS 31 far 0 49 0 - 6.4-22.2 HB3 GLU 44 - HB2 LYS 24 far 0 56 0 - 6.4-29.1 HG3 GLN 134 - HB2 LYS 39 far 0 100 0 - 6.4-13.8 HB3 GLN 61 - HB2 LYS 24 far 0 38 0 - 6.5-25.2 HB2 GLU 102 - HB2 LYS 26 far 0 61 0 - 6.7-28.2 HB VAL 118 - HB2 LYS 24 far 0 50 0 - 6.8-31.1 HG3 PRO 58 - HB2 LYS 24 far 0 48 0 - 7.0-27.8 HB VAL 57 - HB2 LYS 19 far 0 50 0 - 7.1-36.1 HG2 PRO 117 - HB2 LYS 24 far 0 31 0 - 7.6-35.9 HB3 GLN 61 - HB2 LYS 31 far 0 33 0 - 7.9-25.3 HB3 GLN 61 - HB2 LYS 19 far 0 36 0 - 7.9-32.0 HB2 LEU 62 - HB2 LYS 26 far 0 43 0 - 8.3-21.6 HB3 GLU 44 - HB2 LYS 19 far 0 53 0 - 8.6-34.6 HB2 GLN 61 - HB2 LYS 31 far 0 37 0 - 8.6-24.8 HB VAL 57 - HB2 LYS 26 far 0 56 0 - 8.6-24.9 HG3 PRO 117 - HB2 LYS 24 far 0 31 0 - 8.9-37.5 HB VAL 57 - HB2 LYS 24 far 0 52 0 - 9.3-27.4 HB2 GLN 61 - HB2 LYS 19 far 0 41 0 - 9.4-31.4 HB3 GLU 44 - HB2 LYS 39 far 0 99 0 - 9.5-11.6 HG3 PRO 113 - HB2 LYS 19 far 0 38 0 - 9.6-44.0 HB2 GLN 127 - HB2 LYS 26 far 0 29 0 - 9.6-25.1 HB3 GLN 27 - HB2 LYS 39 far 0 92 0 - 9.7-27.2 HB2 GLU 102 - HB2 LYS 24 far 0 57 0 - 9.8-35.3 Violated in 0 structures by 0.00 A. Peak 1153 from aliabs.peaks (1.14, 1.76, 32.42 ppm; 4.36 A): 3 out of 11 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 68 68 100 100 2.4-3.0 2.9=100 HG12 ILE 32 + HB2 LYS 31 OK 26 37 75 93 3.3-7.3 6354/4.6=49...(39) HG12 ILE 32 - HB2 LYS 26 poor 17 46 50 73 2.8-12.7 10767/3.5=9, ~10704=9...(33) HG12 ILE 32 - HB2 LYS 24 far 4 43 10 - 4.9-17.9 HG12 ILE 32 - HB2 LYS 19 far 0 41 0 - 6.6-24.0 HB3 LEU 62 - HB2 LYS 26 far 0 59 0 - 7.2-20.7 QG2 VAL 132 - HB2 LYS 39 far 0 100 0 - 7.2-13.1 QG2 THR 115 - HB2 LYS 26 far 0 60 0 - 8.6-25.6 QG1 VAL 132 - HB2 LYS 39 far 0 99 0 - 8.8-14.0 HG3 LYS 39 - HB2 LYS 24 far 0 32 0 - 9.1-32.4 Violated in 0 structures by 0.00 A. Peak 1154 from aliabs.peaks (1.16, 1.76, 32.42 ppm; 4.11 A): 6 out of 25 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 39 + HB2 LYS 39 OK 68 68 100 100 2.6-3.0 2.9=100 QG2 THR 18 + HB2 LYS 19 OK 53 54 100 98 3.6-5.3 10697/1.8=62...(24) QG2 THR 25 + HB2 LYS 24 OK 33 47 75 94 2.8-7.0 6242/4.7=47...(33) QG2 THR 25 + HB2 LYS 26 OK 29 50 60 96 4.0-6.1 6248/6250=58...(28) HG12 ILE 32 + HB2 LYS 31 OK 27 49 60 92 3.3-7.3 6354/4.6=51...(38) QB ALA 41 - HB2 LYS 39 poor 18 92 20 - 5.3-6.5 HG12 ILE 32 - HB2 LYS 26 poor 18 60 40 76 2.8-12.7 10767/3.5=11...(33) QG2 THR 18 - HB2 LYS 24 poor 14 57 25 - 1.9-14.0 QG2 THR 25 - HB2 LYS 31 poor 10 41 25 - 2.3-12.4 QG2 THR 18 - HB2 LYS 31 far 5 50 10 - 5.0-23.5 HG12 ILE 32 - HB2 LYS 24 far 3 55 5 - 4.9-17.9 QG2 THR 25 - HB2 LYS 19 far 2 44 5 - 2.1-16.2 QB ALA 41 - HB2 LYS 24 far 0 48 0 - 5.8-22.7 QB ALA 41 - HB2 LYS 26 far 0 52 0 - 6.2-20.5 QG2 THR 18 - HB2 LYS 39 far 0 100 0 - 6.5-34.6 QB ALA 41 - HB2 LYS 31 far 0 42 0 - 6.5-14.8 HG12 ILE 32 - HB2 LYS 19 far 0 53 0 - 6.6-24.0 HB3 LEU 62 - HB2 LYS 26 far 0 48 0 - 7.2-20.7 QG2 VAL 132 - HB2 LYS 39 far 0 81 0 - 7.2-13.1 QG2 THR 18 - HB2 LYS 26 far 0 61 0 - 7.3-19.3 QG2 THR 25 - HB2 LYS 39 far 0 90 0 - 8.2-26.0 QB ALA 41 - HB2 LYS 19 far 0 46 0 - 8.6-27.7 QG2 VAL 77 - HB2 LYS 39 far 0 71 0 - 8.8-12.4 HG3 LYS 39 - HB2 LYS 24 far 0 58 0 - 9.1-32.4 Violated in 0 structures by 0.00 A. Peak 1155 from aliabs.peaks (1.68, 1.76, 32.42 ppm; 4.74 A): 9 out of 50 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.5 3.6=100 HD3 LYS 26 + HB2 LYS 26 OK 49 49 100 100 2.0-4.2 3.5=100 HD2 LYS 26 + HB2 LYS 26 OK 45 45 100 100 2.1-4.2 3.5=100 HD2 LYS 24 + HB2 LYS 24 OK 44 44 100 100 1.9-4.2 3.5=100 HD3 LYS 31 + HB2 LYS 31 OK 35 35 100 100 2.0-4.2 3.5=100 HD3 LYS 24 + HB2 LYS 24 OK 32 32 100 100 2.0-4.2 3.5=100 HD2 LYS 31 + HB2 LYS 31 OK 31 31 100 100 2.9-4.2 3.5=100 HD2 LYS 19 + HB2 LYS 19 OK 26 26 100 100 2.2-4.1 3.9=100 HD3 LYS 26 + HB2 LYS 31 OK 21 40 55 98 2.4-15.6 2.9/639=7, 2.9/628=6...(164) HD2 LYS 26 - HB2 LYS 31 poor 16 36 45 - 3.3-16.0 HD2 LYS 31 - HB2 LYS 26 poor 15 38 40 - 4.5-13.8 HD3 LYS 31 - HB2 LYS 26 poor 11 43 25 - 4.1-13.7 HD2 LYS 19 - HB2 LYS 24 poor 10 28 35 - 4.1-16.1 HD3 LYS 24 - HB2 LYS 19 poor 9 31 30 - 4.7-15.4 HB2 LEU 43 - HB2 LYS 39 far 7 71 10 - 6.2-9.6 HD2 LYS 24 - HB2 LYS 19 far 6 42 15 - 3.7-16.1 HD2 LYS 36 - HB2 LYS 26 far 5 49 10 - 5.6-20.8 HD2 LYS 24 - HB2 LYS 26 far 2 48 5 - 3.6-12.6 HD3 LYS 36 - HB2 LYS 26 far 2 48 5 - 6.1-21.8 HD2 LYS 36 - HB2 LYS 24 far 2 45 5 - 3.0-25.5 HD3 LYS 36 - HB2 LYS 24 far 2 44 5 - 4.2-25.9 HD3 LYS 26 - HB2 LYS 19 far 2 43 5 - 5.6-21.9 HD2 LYS 26 - HB2 LYS 24 far 2 41 5 - 6.1-12.1 HD3 LYS 31 - HB2 LYS 24 far 2 40 5 - 5.9-18.6 HD2 LYS 36 - HB2 LYS 31 far 2 40 5 - 5.5-12.6 HD2 LYS 26 - HB2 LYS 19 far 2 39 5 - 6.2-21.7 HD3 LYS 31 - HB2 LYS 19 far 2 38 5 - 4.6-23.5 HD3 LYS 24 - HB2 LYS 26 far 2 35 5 - 2.0-12.6 HD2 LYS 31 - HB2 LYS 24 far 2 35 5 - 4.7-17.2 HD2 LYS 31 - HB2 LYS 19 far 2 34 5 - 5.1-23.0 HD3 LYS 24 - HB2 LYS 31 far 1 28 5 - 6.2-19.4 HD2 LYS 19 - HB2 LYS 31 far 1 24 5 - 4.9-28.2 HD3 LYS 36 - HB2 LYS 31 far 0 38 0 - 6.5-12.1 HD2 LYS 24 - HB2 LYS 31 far 0 38 0 - 6.7-18.3 HD2 LYS 19 - HB2 LYS 26 far 0 30 0 - 7.2-22.8 HD3 LYS 26 - HB2 LYS 24 far 0 45 0 - 7.4-10.5 HD3 LYS 36 - HB2 LYS 39 far 0 87 0 - 7.5-15.4 HB2 LEU 43 - HB2 LYS 26 far 0 37 0 - 8.4-27.2 HD3 LYS 24 - HB2 LYS 39 far 0 68 0 - 8.5-31.4 HD2 LYS 36 - HB2 LYS 39 far 0 89 0 - 8.9-14.2 HB2 LEU 43 - HB2 LYS 24 far 0 34 0 - 9.0-31.3 HD3 LYS 95 - HB2 LYS 24 far 0 41 0 - 9.1-34.0 HD3 LYS 36 - HB2 LYS 19 far 0 42 0 - 9.2-30.9 HG2 ARG 135 - HB2 LYS 39 far 0 76 0 - 9.4-16.5 HD2 LYS 39 - HB2 LYS 24 far 0 58 0 - 9.5-33.8 HD2 LYS 95 - HB2 LYS 24 far 0 34 0 - 9.7-34.8 HB2 LEU 69 - HB2 LYS 24 far 0 28 0 - 9.7-22.4 HD2 LYS 19 - HB2 LYS 39 far 0 60 0 - 9.8-40.0 HD2 LYS 24 - HB2 LYS 39 far 0 87 0 - 9.9-31.8 HD2 LYS 86 - HB2 LYS 39 far 0 76 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 1156 from aliabs.peaks (1.71, 1.76, 32.42 ppm; 4.74 A): 1 out of 12 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-2.7 3.6=100 HB2 LEU 43 - HB2 LYS 39 far 10 97 10 - 6.2-9.6 HG LEU 48 - HB2 LYS 26 far 6 62 10 - 5.0-24.7 HG LEU 48 - HB2 LYS 24 far 3 58 5 - 5.0-27.0 HG LEU 48 - HB2 LYS 19 far 3 55 5 - 4.6-31.7 HG LEU 98 - HB2 LYS 24 far 0 57 0 - 6.4-33.0 HB ILE 80 - HB2 LYS 39 far 0 78 0 - 7.1-13.4 HG LEU 98 - HB2 LYS 26 far 0 61 0 - 7.3-29.2 HG LEU 48 - HB2 LYS 31 far 0 51 0 - 8.3-22.0 HB2 LEU 43 - HB2 LYS 26 far 0 57 0 - 8.4-27.2 HB2 LEU 43 - HB2 LYS 24 far 0 53 0 - 9.0-31.3 HG2 ARG 135 - HB2 LYS 39 far 0 96 0 - 9.4-16.5 Violated in 0 structures by 0.00 A. Peak 1157 from aliabs.peaks (2.93, 1.76, 32.42 ppm; 5.51 A): 9 out of 36 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.0-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.7-4.5 4.9=100 HE3 LYS 24 + HB2 LYS 24 OK 44 44 100 100 3.1-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 35 35 100 100 2.0-4.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 31 31 100 100 1.8-4.7 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 29 29 100 100 3.2-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 29 29 100 100 2.0-5.2 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 23 23 100 100 2.0-4.9 4.8=100 HE3 LYS 24 - HB2 LYS 19 poor 17 42 40 - 5.3-18.0 HE3 LYS 31 - HB2 LYS 26 poor 13 38 35 - 4.2-12.2 HE2 LYS 26 - HB2 LYS 31 poor 13 23 55 - 3.2-17.5 HE2 LYS 24 - HB2 LYS 19 poor 10 34 30 - 4.1-17.5 HE2 LYS 19 - HB2 LYS 24 poor 9 31 30 - 3.8-18.2 HE3 LYS 19 - HB2 LYS 24 poor 9 31 30 - 4.9-17.5 HE2 LYS 31 - HB2 LYS 26 poor 9 29 30 - 4.4-12.8 HE2 LYS 26 - HB2 LYS 24 poor 8 26 30 - 5.6-12.3 HE2 LYS 24 - HB2 LYS 26 far 4 38 10 - 4.0-13.1 HE3 LYS 31 - HB2 LYS 19 far 3 34 10 - 5.9-25.9 HE2 LYS 24 - HB2 LYS 31 far 3 31 10 - 4.9-20.2 HE2 LYS 31 - HB2 LYS 19 far 3 25 10 - 5.2-25.0 HE3 LYS 24 - HB2 LYS 26 far 2 48 5 - 4.4-13.6 HE3 LYS 24 - HB2 LYS 31 far 2 38 5 - 5.8-20.7 HE3 LYS 31 - HB2 LYS 24 far 2 35 5 - 6.7-18.7 HE2 LYS 31 - HB2 LYS 24 far 1 26 5 - 6.9-18.8 HE2 LYS 26 - HB2 LYS 19 far 1 25 5 - 6.8-24.3 HE3 LYS 19 - HB2 LYS 31 far 0 27 0 - 7.1-27.9 HB2 CYS 45 - HB2 LYS 26 far 0 60 0 - 7.3-23.2 HE2 LYS 19 - HB2 LYS 31 far 0 27 0 - 7.3-27.5 HB3 ASN 116 - HB2 LYS 24 far 0 57 0 - 7.9-33.7 HE3 LYS 19 - HB2 LYS 26 far 0 33 0 - 8.2-24.9 HE2 LYS 19 - HB2 LYS 26 far 0 33 0 - 8.6-23.4 HB2 CYS 45 - HB2 LYS 31 far 0 49 0 - 9.2-18.1 HB2 CYS 45 - HB2 LYS 39 far 0 99 0 - 9.6-12.2 HB2 CYS 45 - HB2 LYS 24 far 0 56 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 87 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 1158 from aliabs.peaks (2.93, 1.76, 32.42 ppm; 5.51 A): 9 out of 36 assignments used, quality = 1.00: HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.0-4.6 4.9=100 * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.7-4.5 4.9=100 HE3 LYS 24 + HB2 LYS 24 OK 44 44 100 100 3.1-5.1 5.1=100 HE2 LYS 24 + HB2 LYS 24 OK 35 35 100 100 2.0-4.5 5.1=100 HE3 LYS 31 + HB2 LYS 31 OK 31 31 100 100 1.8-4.7 4.8=100 HE3 LYS 19 + HB2 LYS 19 OK 29 29 100 100 2.8-5.0 5.1=100 HE2 LYS 19 + HB2 LYS 19 OK 29 29 100 100 3.2-5.1 5.1=100 HE2 LYS 26 + HB2 LYS 26 OK 29 29 100 100 2.0-5.2 4.8=100 HE2 LYS 31 + HB2 LYS 31 OK 23 23 100 100 2.0-4.9 4.8=100 HE3 LYS 24 - HB2 LYS 19 poor 17 42 40 - 5.3-18.0 HE3 LYS 31 - HB2 LYS 26 poor 13 38 35 - 4.2-12.2 HE2 LYS 26 - HB2 LYS 31 poor 13 23 55 - 3.2-17.5 HE2 LYS 24 - HB2 LYS 19 poor 10 34 30 - 4.1-17.5 HE2 LYS 19 - HB2 LYS 24 poor 9 31 30 - 3.8-18.2 HE3 LYS 19 - HB2 LYS 24 poor 9 31 30 - 4.9-17.5 HE2 LYS 31 - HB2 LYS 26 poor 9 29 30 - 4.4-12.8 HE2 LYS 26 - HB2 LYS 24 poor 8 26 30 - 5.6-12.3 HE2 LYS 24 - HB2 LYS 26 far 4 38 10 - 4.0-13.1 HE3 LYS 31 - HB2 LYS 19 far 3 34 10 - 5.9-25.9 HE2 LYS 24 - HB2 LYS 31 far 3 31 10 - 4.9-20.2 HE2 LYS 31 - HB2 LYS 19 far 3 25 10 - 5.2-25.0 HE3 LYS 24 - HB2 LYS 26 far 2 48 5 - 4.4-13.6 HE3 LYS 24 - HB2 LYS 31 far 2 38 5 - 5.8-20.7 HE3 LYS 31 - HB2 LYS 24 far 2 35 5 - 6.7-18.7 HE2 LYS 31 - HB2 LYS 24 far 1 26 5 - 6.9-18.8 HE2 LYS 26 - HB2 LYS 19 far 1 25 5 - 6.8-24.3 HE3 LYS 19 - HB2 LYS 31 far 0 27 0 - 7.1-27.9 HB2 CYS 45 - HB2 LYS 26 far 0 60 0 - 7.3-23.2 HE2 LYS 19 - HB2 LYS 31 far 0 27 0 - 7.3-27.5 HB3 ASN 116 - HB2 LYS 24 far 0 57 0 - 7.9-33.7 HE3 LYS 19 - HB2 LYS 26 far 0 33 0 - 8.2-24.9 HE2 LYS 19 - HB2 LYS 26 far 0 33 0 - 8.6-23.4 HB2 CYS 45 - HB2 LYS 31 far 0 49 0 - 9.2-18.1 HB2 CYS 45 - HB2 LYS 39 far 0 99 0 - 9.6-12.2 HB2 CYS 45 - HB2 LYS 24 far 0 56 0 - 9.8-25.0 HE3 LYS 24 - HB2 LYS 39 far 0 87 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 1161 from aliabs.peaks (3.40, 2.08, 32.42 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-2.9 3.0=100 HA LYS 39 - HB2 PRO 81 far 4 88 5 - 5.7-11.5 Violated in 0 structures by 0.00 A. Peak 1162 from aliabs.peaks (1.76, 2.08, 32.42 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 39 - HB2 PRO 81 far 13 88 15 - 4.2-12.0 HB ILE 80 - HB2 PRO 81 far 5 52 10 - 5.0-7.0 HB ILE 80 - HB3 LYS 39 far 0 65 0 - 6.8-12.0 HB2 ARG 23 - HB3 LYS 39 far 0 97 0 - 10.0-33.8 Violated in 0 structures by 0.00 A. Peak 1163 from aliabs.peaks (2.08, 2.08, 32.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 HB2 PRO 81 + HB2 PRO 81 OK 73 73 - 100 Peak 1164 from aliabs.peaks (1.14, 2.08, 32.42 ppm; 4.53 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 68 68 100 100 2.3-3.0 2.9=100 HG2 LYS 39 + HB2 PRO 81 OK 28 88 40 80 3.5-12.3 3.0/1167=16, 3.0/1196=16...(23) HG3 LYS 39 - HB2 PRO 81 far 8 54 15 - 4.9-12.3 QG2 VAL 132 - HB3 LYS 39 far 0 100 0 - 6.2-12.0 QG2 VAL 132 - HB2 PRO 81 far 0 87 0 - 6.5-10.7 QG1 VAL 132 - HB2 PRO 81 far 0 86 0 - 7.1-10.4 QG1 VAL 132 - HB3 LYS 39 far 0 99 0 - 8.1-12.8 Violated in 0 structures by 0.00 A. Peak 1165 from aliabs.peaks (1.16, 2.08, 32.42 ppm; 4.66 A): 2 out of 13 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 68 68 100 100 2.2-3.0 2.9=100 HG2 LYS 39 - HB2 PRO 81 poor 19 54 45 78 3.5-12.3 3.0/1167=17, 3.0/1166=16...(22) HG3 LYS 39 - HB2 PRO 81 poor 18 88 25 83 4.9-12.3 3.0/1167=17, 3.0/1166=16...(24) QB ALA 41 - HB3 LYS 39 poor 18 92 20 - 5.7-6.8 QG2 VAL 132 - HB3 LYS 39 far 0 81 0 - 6.2-12.0 QG2 VAL 132 - HB2 PRO 81 far 0 65 0 - 6.5-10.7 QG2 THR 18 - HB3 LYS 39 far 0 100 0 - 6.8-34.5 QG2 THR 18 - HB2 PRO 81 far 0 87 0 - 7.7-38.6 QG2 VAL 77 - HB3 LYS 39 far 0 71 0 - 7.8-11.6 QG2 VAL 77 - HB2 PRO 81 far 0 56 0 - 8.3-9.5 QG2 THR 25 - HB3 LYS 39 far 0 90 0 - 8.9-26.3 QB ALA 41 - HB2 PRO 81 far 0 76 0 - 9.3-14.0 Violated in 0 structures by 0.00 A. Peak 1166 from aliabs.peaks (1.68, 2.08, 32.42 ppm; 4.86 A): 2 out of 13 assignments used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.0-3.9 3.6=100 HD2 LYS 39 + HB2 PRO 81 OK 36 88 45 91 4.2-10.7 1196=23, 1.8/1207=18...(30) HB2 LEU 43 - HB3 LYS 39 far 11 71 15 - 5.9-9.7 HG2 ARG 135 - HB2 PRO 81 far 3 61 5 - 5.9-11.0 HD3 LYS 86 - HB2 PRO 81 far 0 54 0 - 6.9-10.8 HD2 LYS 86 - HB2 PRO 81 far 0 61 0 - 7.1-11.0 HD3 LYS 36 - HB3 LYS 39 far 0 87 0 - 8.3-15.6 HG2 ARG 135 - HB3 LYS 39 far 0 76 0 - 8.6-15.3 HD2 LYS 36 - HB3 LYS 39 far 0 89 0 - 8.7-14.0 HB2 LEU 43 - HB2 PRO 81 far 0 56 0 - 9.0-16.8 QB ALA 88 - HB2 PRO 81 far 0 75 0 - 9.0-11.2 HD2 LYS 86 - HB3 LYS 39 far 0 76 0 - 9.7-15.0 HD3 LYS 24 - HB3 LYS 39 far 0 68 0 - 9.8-32.1 Violated in 0 structures by 0.00 A. Peak 1167 from aliabs.peaks (1.71, 2.08, 32.42 ppm; 4.10 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.7 3.6=100 HD3 LYS 39 + HB2 PRO 81 OK 29 88 40 82 2.9-10.5 1207=19, 1.8/1196=16...(29) HB ILE 80 - HB2 PRO 81 poor 19 63 30 - 5.0-7.0 HG2 ARG 135 - HB2 PRO 81 far 0 81 0 - 5.9-11.0 HB2 LEU 43 - HB3 LYS 39 far 0 97 0 - 5.9-9.7 HB ILE 80 - HB3 LYS 39 far 0 78 0 - 6.8-12.0 HG2 ARG 135 - HB3 LYS 39 far 0 96 0 - 8.6-15.3 HB2 LEU 43 - HB2 PRO 81 far 0 83 0 - 9.0-16.8 Violated in 0 structures by 0.00 A. Peak 1168 from aliabs.peaks (2.93, 2.08, 32.42 ppm; 5.24 A): 4 out of 10 assignments used, quality = 1.00: HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.1-5.0 4.9=100 * HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.7-5.0 4.9=100 HE3 LYS 39 + HB2 PRO 81 OK 49 88 65 86 2.1-11.2 2.9/1166=20, 2.9/1167=20...(23) HE2 LYS 39 + HB2 PRO 81 OK 35 88 45 88 2.8-12.3 2.9/1166=20, 2.9/1167=20...(24) HD2 ARG 135 - HB2 PRO 81 far 4 88 5 - 5.8-11.6 HE3 LYS 86 - HB2 PRO 81 far 0 54 0 - 7.1-11.5 HD2 ARG 135 - HB3 LYS 39 far 0 100 0 - 9.2-16.2 HE3 LYS 86 - HB3 LYS 39 far 0 68 0 - 9.5-16.6 HB2 CYS 45 - HB3 LYS 39 far 0 99 0 - 9.6-12.4 HE3 LYS 24 - HB3 LYS 39 far 0 87 0 - 10.0-34.5 Violated in 0 structures by 0.00 A. Peak 1169 from aliabs.peaks (2.93, 2.08, 32.42 ppm; 5.24 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.1-5.0 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.7-5.0 4.9=100 HE3 LYS 39 + HB2 PRO 81 OK 49 88 65 86 2.1-11.2 2.9/1166=20, 2.9/1167=20...(23) HE2 LYS 39 + HB2 PRO 81 OK 35 88 45 88 2.8-12.3 2.9/1166=20, 2.9/1167=20...(24) HD2 ARG 135 - HB2 PRO 81 far 4 88 5 - 5.8-11.6 HE3 LYS 86 - HB2 PRO 81 far 0 54 0 - 7.1-11.5 HD2 ARG 135 - HB3 LYS 39 far 0 100 0 - 9.2-16.2 HE3 LYS 86 - HB3 LYS 39 far 0 68 0 - 9.5-16.6 HB2 CYS 45 - HB3 LYS 39 far 0 99 0 - 9.6-12.4 HE3 LYS 24 - HB3 LYS 39 far 0 87 0 - 10.0-34.5 Violated in 0 structures by 0.00 A. Peak 1172 from aliabs.peaks (3.40, 1.14, 24.15 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.8-4.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 1173 from aliabs.peaks (1.76, 1.14, 24.15 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.6-3.0 2.9=100 HB ILE 80 - HG2 LYS 39 far 0 65 0 - 7.3-12.0 Violated in 0 structures by 0.00 A. Peak 1174 from aliabs.peaks (2.08, 1.14, 24.15 ppm; 4.33 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 PRO 81 + HG2 LYS 39 OK 26 89 40 73 3.5-12.3 1167/3.0=15, 1196/3.0=15...(20) HG3 PRO 81 + HG2 LYS 39 OK 24 60 55 73 3.1-12.7 1207/3.0=11, 1196/3.0=11...(25) HG3 GLN 134 + HG2 LYS 39 OK 21 100 30 70 4.3-11.1 10600/11806=26...(12) HB3 GLN 82 - HG2 LYS 39 far 0 97 0 - 8.1-17.6 HB3 GLU 44 - HG2 LYS 39 far 0 99 0 - 9.0-11.4 HB3 GLN 27 - HG2 LYS 39 far 0 92 0 - 9.4-28.6 Violated in 0 structures by 0.00 A. Peak 1175 from aliabs.peaks (1.14, 1.14, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 Peak 1176 from aliabs.peaks (1.16, 1.14, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HG2 LYS 39 + HG2 LYS 39 OK 68 68 - 100 Reference assignment not found: HG3 LYS 39 - HG2 LYS 39 Peak 1177 from aliabs.peaks (1.68, 1.14, 24.15 ppm; 4.18 A): 1 out of 6 assignments used, quality = 1.00: * HD2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 43 - HG2 LYS 39 poor 18 71 25 - 4.1-8.0 HG2 ARG 135 - HG2 LYS 39 far 0 76 0 - 7.4-13.6 HD3 LYS 36 - HG2 LYS 39 far 0 87 0 - 8.7-17.4 HD3 LYS 24 - HG2 LYS 39 far 0 68 0 - 8.8-32.5 HD2 LYS 36 - HG2 LYS 39 far 0 89 0 - 8.9-15.8 Violated in 0 structures by 0.00 A. Peak 1178 from aliabs.peaks (1.71, 1.14, 24.15 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 43 + HG2 LYS 39 OK 23 97 25 96 4.1-8.0 ~11901=45, 3.2/11806=34...(27) HB ILE 80 - HG2 LYS 39 far 0 78 0 - 7.3-12.0 HG2 ARG 135 - HG2 LYS 39 far 0 96 0 - 7.4-13.6 Violated in 0 structures by 0.00 A. Peak 1179 from aliabs.peaks (2.93, 1.14, 24.15 ppm; 4.61 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-3.8 4.0=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.9 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 100 0 - 7.9-14.5 HE3 LYS 24 - HG2 LYS 39 far 0 87 0 - 9.3-34.8 HB2 CYS 45 - HG2 LYS 39 far 0 99 0 - 9.7-12.8 HE3 LYS 86 - HG2 LYS 39 far 0 68 0 - 10.0-18.4 Violated in 0 structures by 0.00 A. Peak 1180 from aliabs.peaks (2.93, 1.14, 24.15 ppm; 4.61 A): 2 out of 6 assignments used, quality = 1.00: HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-3.8 4.0=100 * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.9 4.0=100 HD2 ARG 135 - HG2 LYS 39 far 0 100 0 - 7.9-14.5 HE3 LYS 24 - HG2 LYS 39 far 0 87 0 - 9.3-34.8 HB2 CYS 45 - HG2 LYS 39 far 0 99 0 - 9.7-12.8 HE3 LYS 86 - HG2 LYS 39 far 0 68 0 - 10.0-18.4 Violated in 0 structures by 0.00 A. Peak 1181 from aliabs.peaks (8.29, 1.14, 24.15 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 40 + HG2 LYS 39 OK 100 100 100 100 1.8-4.1 1203/3.0=98, 6448/4.7=91...(19) H LEU 43 + HG2 LYS 39 OK 100 100 100 100 4.0-6.7 6494/4.0=82...(15) H ASP 131 - HG2 LYS 39 far 9 92 10 - 6.9-12.3 H ALA 21 - HG2 LYS 39 far 0 71 0 - 10.0-36.0 Violated in 0 structures by 0.00 A. Peak 1183 from aliabs.peaks (3.40, 1.16, 24.15 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.9-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 1184 from aliabs.peaks (1.76, 1.16, 24.15 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB ILE 80 - HG3 LYS 39 far 0 65 0 - 8.7-13.0 HB2 LYS 24 - HG3 LYS 39 far 0 87 0 - 9.1-32.4 HB2 ARG 23 - HG3 LYS 39 far 0 97 0 - 9.4-34.8 Violated in 0 structures by 0.00 A. Peak 1185 from aliabs.peaks (2.08, 1.16, 24.15 ppm; 4.73 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLN 134 + HG3 LYS 39 OK 33 100 35 95 5.3-11.3 10600/11901=62...(13) HB2 PRO 81 + HG3 LYS 39 OK 24 89 35 79 4.9-12.3 1167/3.0=17, 1166/3.0=17...(22) HG3 PRO 81 + HG3 LYS 39 OK 22 60 45 82 4.6-12.2 1207/3.0=13, 1196/3.0=12...(26) HB3 GLU 44 - HG3 LYS 39 far 0 99 0 - 8.6-10.1 HB3 GLN 27 - HG3 LYS 39 far 0 92 0 - 8.7-27.5 HB3 GLN 82 - HG3 LYS 39 far 0 97 0 - 9.6-17.1 Violated in 0 structures by 0.00 A. Peak 1186 from aliabs.peaks (1.14, 1.16, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HG3 LYS 39 + HG3 LYS 39 OK 68 68 - 100 Reference assignment not found: HG2 LYS 39 - HG3 LYS 39 Peak 1187 from aliabs.peaks (1.16, 1.16, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 Peak 1188 from aliabs.peaks (1.68, 1.16, 24.15 ppm; 4.30 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 43 + HG3 LYS 39 OK 24 71 35 98 3.5-7.7 3.2/11901=72...(30) HD3 LYS 24 - HG3 LYS 39 far 0 68 0 - 7.1-31.3 HD3 LYS 36 - HG3 LYS 39 far 0 87 0 - 7.5-16.7 HD2 LYS 36 - HG3 LYS 39 far 0 89 0 - 8.4-15.2 HD2 LYS 24 - HG3 LYS 39 far 0 87 0 - 8.6-32.3 HG2 ARG 135 - HG3 LYS 39 far 0 76 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 1189 from aliabs.peaks (1.71, 1.16, 24.15 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LEU 43 + HG3 LYS 39 OK 43 97 45 99 3.5-7.7 3.2/11901=79...(35) HB ILE 80 - HG3 LYS 39 far 0 78 0 - 8.7-13.0 HG2 ARG 135 - HG3 LYS 39 far 0 96 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 1190 from aliabs.peaks (2.93, 1.16, 24.15 ppm; 4.90 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-3.3 4.0=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-4.0 4.0=100 HE3 LYS 24 - HG3 LYS 39 far 0 87 0 - 8.8-33.6 HD2 ARG 135 - HG3 LYS 39 far 0 100 0 - 8.9-15.6 HB2 CYS 45 - HG3 LYS 39 far 0 99 0 - 9.1-11.4 HE2 LYS 31 - HG3 LYS 39 far 0 57 0 - 9.4-22.6 Violated in 0 structures by 0.00 A. Peak 1191 from aliabs.peaks (2.93, 1.16, 24.15 ppm; 4.90 A): 2 out of 6 assignments used, quality = 1.00: HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-3.3 4.0=100 * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-4.0 4.0=100 HE3 LYS 24 - HG3 LYS 39 far 0 87 0 - 8.8-33.6 HD2 ARG 135 - HG3 LYS 39 far 0 100 0 - 8.9-15.6 HB2 CYS 45 - HG3 LYS 39 far 0 99 0 - 9.1-11.4 HE2 LYS 31 - HG3 LYS 39 far 0 57 0 - 9.4-22.6 Violated in 0 structures by 0.00 A. Peak 1192 from aliabs.peaks (8.29, 1.16, 24.15 ppm; 6.04 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 40 + HG3 LYS 39 OK 100 100 100 100 1.8-2.9 1203/3.0=92, 6448/4.7=80...(24) H LEU 43 + HG3 LYS 39 OK 100 100 100 100 3.7-5.8 6509/11901=93...(20) H ASP 131 - HG3 LYS 39 far 0 92 0 - 7.9-12.7 H ALA 21 - HG3 LYS 39 far 0 71 0 - 8.9-36.6 H ARG 23 - HG3 LYS 39 far 0 68 0 - 9.8-32.8 Violated in 0 structures by 0.00 A. Peak 1194 from aliabs.peaks (3.40, 1.68, 29.61 ppm; 6.57 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.9-5.2 5.3=100 Violated in 0 structures by 0.00 A. Peak 1195 from aliabs.peaks (1.76, 1.68, 29.61 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.5 3.6=100 HB ILE 80 - HD2 LYS 39 far 0 65 0 - 8.0-13.7 HB2 LYS 24 - HD2 LYS 39 far 0 87 0 - 9.5-33.8 Violated in 0 structures by 0.00 A. Peak 1196 from aliabs.peaks (2.08, 1.68, 29.61 ppm; 4.23 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.0-3.9 3.6=100 HB2 PRO 81 + HD2 LYS 39 OK 29 89 40 82 4.2-10.7 1167/1.8=18, 1166=18...(29) HG3 PRO 81 - HD2 LYS 39 poor 15 60 25 - 3.6-11.1 HG3 GLN 134 - HD2 LYS 39 far 0 100 0 - 5.8-12.6 HB3 GLN 82 - HD2 LYS 39 far 0 97 0 - 9.2-16.5 Violated in 0 structures by 0.00 A. Peak 1197 from aliabs.peaks (1.14, 1.68, 29.61 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 39 + HD2 LYS 39 OK 68 68 100 100 2.2-3.0 3.0=100 QG2 VAL 132 - HD2 LYS 39 far 0 100 0 - 8.3-13.4 QG1 VAL 132 - HD2 LYS 39 far 0 99 0 - 8.4-14.1 Violated in 0 structures by 0.00 A. Peak 1198 from aliabs.peaks (1.16, 1.68, 29.61 ppm; 4.48 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 68 68 100 100 2.2-3.0 3.0=100 QB ALA 41 - HD2 LYS 39 far 5 92 5 - 5.5-7.9 QG2 THR 25 - HD2 LYS 39 far 0 90 0 - 7.9-27.6 QG2 VAL 132 - HD2 LYS 39 far 0 81 0 - 8.3-13.4 QG2 THR 18 - HD2 LYS 39 far 0 100 0 - 9.0-37.0 Violated in 0 structures by 0.00 A. Peak 1199 from aliabs.peaks (1.68, 1.68, 29.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 Peak 1200 from aliabs.peaks (1.71, 1.68, 29.61 ppm; 2.88 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 43 - HD2 LYS 39 far 0 97 0 - 5.3-9.7 HB ILE 80 - HD2 LYS 39 far 0 78 0 - 8.0-13.7 HG2 ARG 135 - HD2 LYS 39 far 0 96 0 - 8.5-15.7 Violated in 0 structures by 0.00 A. Peak 1201 from aliabs.peaks (2.93, 1.68, 29.61 ppm; 4.32 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD2 LYS 39 far 0 87 0 - 8.3-35.1 HD2 ARG 135 - HD2 LYS 39 far 0 100 0 - 9.0-16.8 HE2 LYS 24 - HD2 LYS 39 far 0 73 0 - 9.7-34.5 Violated in 0 structures by 0.00 A. Peak 1202 from aliabs.peaks (2.93, 1.68, 29.61 ppm; 4.32 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HE3 LYS 24 - HD2 LYS 39 far 0 87 0 - 8.3-35.1 HD2 ARG 135 - HD2 LYS 39 far 0 100 0 - 9.0-16.8 HE2 LYS 24 - HD2 LYS 39 far 0 73 0 - 9.7-34.5 Violated in 0 structures by 0.00 A. Peak 1205 from aliabs.peaks (3.40, 1.71, 29.61 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 3.8-4.9 1142=100, 1141/1.8=87...(14) Violated in 0 structures by 0.00 A. Peak 1206 from aliabs.peaks (1.76, 1.71, 29.61 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.0-2.7 3.6=100 HB ILE 80 - HD3 LYS 39 far 0 65 0 - 6.7-12.6 Violated in 0 structures by 0.00 A. Peak 1207 from aliabs.peaks (2.08, 1.71, 29.61 ppm; 4.11 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.7 3.6=100 HB2 PRO 81 + HD3 LYS 39 OK 29 89 40 80 2.9-10.5 1167=22, 1196/1.8=17...(28) HG3 PRO 81 - HD3 LYS 39 poor 18 60 40 76 2.1-10.9 2.3/1167=15, 1196/1.8=12...(27) HG3 GLN 134 - HD3 LYS 39 far 5 100 5 - 5.6-13.5 HB3 GLN 82 - HD3 LYS 39 far 0 97 0 - 8.0-16.8 HB3 GLU 44 - HD3 LYS 39 far 0 99 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1208 from aliabs.peaks (1.14, 1.71, 29.61 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 68 68 100 100 2.6-3.0 3.0=100 QG2 VAL 132 - HD3 LYS 39 far 0 100 0 - 6.8-13.4 QG1 VAL 132 - HD3 LYS 39 far 0 99 0 - 8.7-14.2 Violated in 0 structures by 0.00 A. Peak 1209 from aliabs.peaks (1.16, 1.71, 29.61 ppm; 4.23 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 LYS 39 + HD3 LYS 39 OK 68 68 100 100 2.3-3.0 3.0=100 QB ALA 41 - HD3 LYS 39 far 0 92 0 - 6.1-7.9 QG2 VAL 132 - HD3 LYS 39 far 0 81 0 - 6.8-13.4 QG2 THR 18 - HD3 LYS 39 far 0 100 0 - 7.8-36.3 QG2 THR 25 - HD3 LYS 39 far 0 90 0 - 9.0-27.6 QG2 VAL 77 - HD3 LYS 39 far 0 71 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 1210 from aliabs.peaks (1.68, 1.71, 29.61 ppm; 2.81 A): 1 out of 6 assignments used, quality = 1.00: * HD2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 43 - HD3 LYS 39 far 0 71 0 - 6.3-10.5 HG2 ARG 135 - HD3 LYS 39 far 0 76 0 - 8.0-16.0 HD3 LYS 24 - HD3 LYS 39 far 0 68 0 - 8.6-33.5 HD3 LYS 36 - HD3 LYS 39 far 0 87 0 - 9.4-17.0 HD2 LYS 86 - HD3 LYS 39 far 0 76 0 - 9.6-16.4 Violated in 0 structures by 0.00 A. Peak 1211 from aliabs.peaks (1.71, 1.71, 29.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 Peak 1212 from aliabs.peaks (2.93, 1.71, 29.61 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 * HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 100 0 - 9.4-16.9 HE3 LYS 24 - HD3 LYS 39 far 0 87 0 - 9.7-35.8 Violated in 0 structures by 0.00 A. Peak 1213 from aliabs.peaks (2.93, 1.71, 29.61 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 135 - HD3 LYS 39 far 0 100 0 - 9.4-16.9 HE3 LYS 24 - HD3 LYS 39 far 0 87 0 - 9.7-35.8 Violated in 0 structures by 0.00 A. Peak 1216 from aliabs.peaks (3.40, 2.93, 41.80 ppm; 4.56 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 39 + HE2 LYS 39 OK 99 100 100 99 4.7-5.8 1141/2.9=58, 1142/2.9=58...(15) HA LYS 39 + HE3 LYS 39 OK 98 100 100 98 5.0-6.0 1141/2.9=58, 1142/2.9=58...(13) HB3 HIS 67 - HE3 LYS 24 far 0 61 0 - 8.5-27.9 Violated in 17 structures by 0.17 A. Peak 1217 from aliabs.peaks (1.76, 2.93, 41.80 ppm; 6.80 A): 4 out of 13 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.0-4.6 4.9=100 HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.7-4.5 4.9=100 HB2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 3.1-5.1 5.1=100 HB2 LYS 19 + HE3 LYS 24 OK 24 49 50 97 5.3-18.0 ~2634=5, ~11770=4...(166) HB ILE 80 - HE3 LYS 39 poor 16 65 25 - 6.8-12.7 HB2 ARG 23 - HE3 LYS 24 poor 15 61 35 69 5.8-11.2 6213/7.4=31, 481/6.4=12...(37) HB2 LYS 26 - HE3 LYS 24 poor 10 52 20 - 4.4-13.6 HB ILE 80 - HE2 LYS 39 far 7 65 10 - 6.8-13.3 HB2 LYS 31 - HE3 LYS 24 far 5 49 10 - 5.8-20.7 HB2 LEU 48 - HE3 LYS 24 far 3 52 5 - 4.9-28.4 HB3 LEU 98 - HE3 LYS 24 far 2 46 5 - 6.5-36.2 HB3 LEU 122 - HE3 LYS 24 far 0 34 0 - 9.3-31.0 HB2 LYS 39 - HE3 LYS 24 far 0 65 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 1218 from aliabs.peaks (2.08, 2.93, 41.80 ppm; 6.80 A): 8 out of 21 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.1-5.0 4.9=100 * HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.7-5.0 4.9=100 HG3 GLN 134 + HE2 LYS 39 OK 80 100 80 100 3.5-11.2 10600/9120=50...(18) HG3 GLN 134 + HE3 LYS 39 OK 69 100 70 99 4.0-12.9 10601/9123=42...(15) HB2 PRO 81 + HE2 LYS 39 OK 67 89 80 94 2.8-12.3 1166/2.9=26, 1167/2.9=22...(20) HB2 PRO 81 + HE3 LYS 39 OK 66 89 80 93 2.1-11.2 1166/2.9=26, 1167/2.9=22...(19) HG3 PRO 81 + HE2 LYS 39 OK 46 60 80 96 2.3-12.0 ~1166=21, ~1167=19...(24) HG3 PRO 81 + HE3 LYS 39 OK 46 60 80 95 2.0-11.0 2.3/10239=22, ~1166=21...(23) HB3 GLN 82 - HE3 LYS 39 far 14 97 15 - 6.6-15.9 HB3 GLN 82 - HE2 LYS 39 far 14 97 15 - 6.8-16.9 HB3 GLN 27 - HE3 LYS 24 far 8 55 15 - 5.5-16.6 HB3 GLU 44 - HE3 LYS 24 far 6 64 10 - 7.4-28.2 HB2 GLN 61 - HE3 LYS 24 far 5 49 10 - 7.9-26.3 HB VAL 118 - HE3 LYS 24 far 3 57 5 - 6.3-34.3 HG2 PRO 117 - HE3 LYS 24 far 2 36 5 - 5.3-39.0 HG3 PRO 117 - HE3 LYS 24 far 2 36 5 - 6.6-40.6 HB3 GLN 61 - HE3 LYS 24 far 0 44 0 - 8.6-27.4 HB3 GLU 44 - HE2 LYS 39 far 0 99 0 - 8.7-12.0 HB3 GLU 44 - HE3 LYS 39 far 0 99 0 - 9.1-13.3 HB3 GLN 27 - HE2 LYS 39 far 0 92 0 - 9.4-29.1 HB3 LYS 39 - HE3 LYS 24 far 0 65 0 - 10.0-34.5 Violated in 0 structures by 0.00 A. Peak 1219 from aliabs.peaks (1.14, 2.93, 41.80 ppm; 6.41 A): 4 out of 11 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-3.8 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.9 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.2-3.3 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.2-4.0 4.0=100 QG2 VAL 132 - HE3 LYS 39 poor 20 100 20 - 6.8-12.0 QG2 VAL 132 - HE2 LYS 39 poor 20 100 20 - 7.1-12.0 QG1 VAL 132 - HE3 LYS 39 far 10 99 10 - 7.4-13.6 QG1 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.9-12.9 HG12 ILE 32 - HE3 LYS 24 far 0 49 0 - 8.0-19.0 HG3 LYS 39 - HE3 LYS 24 far 0 37 0 - 8.8-33.6 HG2 LYS 39 - HE3 LYS 24 far 0 65 0 - 9.3-34.8 Violated in 0 structures by 0.00 A. Peak 1220 from aliabs.peaks (1.16, 2.93, 41.80 ppm; 5.49 A): 5 out of 19 assignments used, quality = 1.00: * HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.3 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-4.0 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.0-3.8 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.2-3.9 4.0=100 QG2 THR 25 + HE3 LYS 24 OK 43 53 90 89 2.1-8.1 10740/7.4=25...(44) QB ALA 41 - HE2 LYS 39 poor 18 92 20 - 5.4-8.8 QG2 VAL 132 - HE3 LYS 39 far 8 81 10 - 6.8-12.0 QB ALA 41 - HE3 LYS 24 far 5 55 10 - 5.0-22.1 QB ALA 41 - HE3 LYS 39 far 5 92 5 - 6.5-9.0 QG2 THR 18 - HE3 LYS 24 lone 1 65 40 5 3.3-16.0 QG2 VAL 132 - HE2 LYS 39 far 0 81 0 - 7.1-12.0 HG12 ILE 32 - HE3 LYS 24 far 0 63 0 - 8.0-19.0 QG2 VAL 77 - HE3 LYS 39 far 0 71 0 - 8.4-13.0 HG3 LYS 39 - HE3 LYS 24 far 0 65 0 - 8.8-33.6 QG2 THR 25 - HE2 LYS 39 far 0 90 0 - 8.9-28.8 QG2 VAL 77 - HE2 LYS 39 far 0 71 0 - 9.1-13.4 QG2 THR 18 - HE3 LYS 39 far 0 100 0 - 9.2-37.0 HG2 LYS 39 - HE3 LYS 24 far 0 37 0 - 9.3-34.8 QG2 THR 25 - HE3 LYS 39 far 0 90 0 - 9.7-29.1 Violated in 0 structures by 0.00 A. Peak 1221 from aliabs.peaks (1.68, 2.93, 41.80 ppm; 6.80 A): 6 out of 26 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 60 71 85 100 3.9-8.9 3.2/9120=52, 3.2/9123=50...(19) HD2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 2.2-3.0 3.0=100 HB2 LEU 43 + HE3 LYS 39 OK 49 71 70 100 5.2-10.3 ~9120=52, 3.2/9123=47...(19) HD3 LYS 24 + HE3 LYS 24 OK 37 37 100 100 2.2-3.0 3.0=100 HG2 ARG 135 - HE2 LYS 39 poor 19 76 25 - 6.8-13.4 HD2 LYS 19 - HE3 LYS 24 poor 14 32 45 - 2.9-18.4 HG2 ARG 135 - HE3 LYS 39 lone 6 76 40 19 6.4-14.5 5.0/7985=10...(3) HD2 LYS 26 - HE3 LYS 24 far 5 47 10 - 7.6-12.5 HD2 LYS 31 - HE3 LYS 24 far 4 41 10 - 6.5-18.3 HD2 LYS 39 - HE3 LYS 24 far 3 65 5 - 8.3-35.1 HD2 LYS 36 - HE3 LYS 24 far 3 52 5 - 7.6-25.8 HD3 LYS 26 - HE3 LYS 24 far 3 52 5 - 7.8-13.8 HD3 LYS 95 - HE3 LYS 24 far 2 47 5 - 5.3-36.2 HD3 LYS 31 - HE3 LYS 24 far 2 46 5 - 5.0-18.2 HD2 LYS 95 - HE3 LYS 24 far 2 39 5 - 6.5-37.7 HD3 LYS 36 - HE3 LYS 24 far 0 50 0 - 8.4-26.0 HD3 LYS 24 - HE2 LYS 39 far 0 68 0 - 8.6-34.0 HD3 LYS 36 - HE2 LYS 39 far 0 87 0 - 8.7-18.2 HD2 LYS 86 - HE3 LYS 39 far 0 76 0 - 8.8-17.8 HD2 LYS 86 - HE2 LYS 39 far 0 76 0 - 9.4-18.7 HD2 LYS 36 - HE2 LYS 39 far 0 89 0 - 9.6-17.1 HB2 LEU 43 - HE3 LYS 24 far 0 39 0 - 9.7-31.8 QB ALA 88 - HE3 LYS 39 far 0 90 0 - 9.8-15.4 HD3 LYS 24 - HE3 LYS 39 far 0 68 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 1222 from aliabs.peaks (1.71, 2.93, 41.80 ppm; 6.80 A): 4 out of 12 assignments used, quality = 1.00: HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 83 97 85 100 3.9-8.9 3.2/9120=52, 3.2/9123=50...(20) HB2 LEU 43 + HE3 LYS 39 OK 68 97 70 100 5.2-10.3 ~9120=52, 3.2/9123=47...(19) HB ILE 80 - HE3 LYS 39 poor 20 78 25 - 6.8-12.7 HG LEU 48 - HE3 LYS 24 far 10 65 15 - 5.0-26.8 HB ILE 80 - HE2 LYS 39 far 8 78 10 - 6.8-13.3 HG2 ARG 135 - HE3 LYS 39 lone 7 96 40 18 6.4-14.5 7983/7985=11...(3) HG2 ARG 135 - HE2 LYS 39 poor 5 96 25 22 6.8-13.4 7983/7985=12...(3) HG LEU 98 - HE3 LYS 24 far 3 65 5 - 7.0-36.0 HD3 LYS 39 - HE3 LYS 24 far 0 65 0 - 9.7-35.8 HB2 LEU 43 - HE3 LYS 24 far 0 61 0 - 9.7-31.8 Violated in 0 structures by 0.00 A. Peak 1223 from aliabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 50 50 - 100 Peak 1224 from aliabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 50 50 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 1227 from aliabs.peaks (3.40, 2.93, 41.80 ppm; 4.56 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 39 + HE2 LYS 39 OK 99 100 100 99 4.7-5.8 1141/2.9=58, 1142/2.9=58...(15) * HA LYS 39 + HE3 LYS 39 OK 98 100 100 98 5.0-6.0 1141/2.9=58, 1142/2.9=58...(13) HB3 HIS 67 - HE3 LYS 24 far 0 61 0 - 8.5-27.9 Violated in 17 structures by 0.17 A. Peak 1228 from aliabs.peaks (1.76, 2.93, 41.80 ppm; 6.80 A): 4 out of 13 assignments used, quality = 1.00: HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.0-4.6 4.9=100 * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.7-4.5 4.9=100 HB2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 3.1-5.1 5.1=100 HB2 LYS 19 + HE3 LYS 24 OK 24 49 50 97 5.3-18.0 ~2634=5, ~11770=4...(166) HB ILE 80 - HE3 LYS 39 poor 16 65 25 - 6.8-12.7 HB2 ARG 23 - HE3 LYS 24 poor 15 61 35 69 5.8-11.2 6213/7.4=31, 481/6.4=12...(37) HB2 LYS 26 - HE3 LYS 24 poor 10 52 20 - 4.4-13.6 HB ILE 80 - HE2 LYS 39 far 7 65 10 - 6.8-13.3 HB2 LYS 31 - HE3 LYS 24 far 5 49 10 - 5.8-20.7 HB2 LEU 48 - HE3 LYS 24 far 3 52 5 - 4.9-28.4 HB3 LEU 98 - HE3 LYS 24 far 2 46 5 - 6.5-36.2 HB3 LEU 122 - HE3 LYS 24 far 0 34 0 - 9.3-31.0 HB2 LYS 39 - HE3 LYS 24 far 0 65 0 - 9.9-33.8 Violated in 0 structures by 0.00 A. Peak 1229 from aliabs.peaks (2.08, 2.93, 41.80 ppm; 6.80 A): 8 out of 21 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.1-5.0 4.9=100 HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.7-5.0 4.9=100 HG3 GLN 134 + HE2 LYS 39 OK 80 100 80 100 3.5-11.2 10600/9120=50...(18) HG3 GLN 134 + HE3 LYS 39 OK 69 100 70 99 4.0-12.9 10601/9123=42...(15) HB2 PRO 81 + HE2 LYS 39 OK 67 89 80 94 2.8-12.3 1166/2.9=26, 1167/2.9=22...(20) HB2 PRO 81 + HE3 LYS 39 OK 66 89 80 93 2.1-11.2 1166/2.9=26, 1167/2.9=22...(19) HG3 PRO 81 + HE2 LYS 39 OK 46 60 80 96 2.3-12.0 ~1166=21, ~1167=19...(24) HG3 PRO 81 + HE3 LYS 39 OK 46 60 80 95 2.0-11.0 2.3/10239=22, ~1166=21...(23) HB3 GLN 82 - HE3 LYS 39 far 14 97 15 - 6.6-15.9 HB3 GLN 82 - HE2 LYS 39 far 14 97 15 - 6.8-16.9 HB3 GLN 27 - HE3 LYS 24 far 8 55 15 - 5.5-16.6 HB3 GLU 44 - HE3 LYS 24 far 6 64 10 - 7.4-28.2 HB2 GLN 61 - HE3 LYS 24 far 5 49 10 - 7.9-26.3 HB VAL 118 - HE3 LYS 24 far 3 57 5 - 6.3-34.3 HG2 PRO 117 - HE3 LYS 24 far 2 36 5 - 5.3-39.0 HG3 PRO 117 - HE3 LYS 24 far 2 36 5 - 6.6-40.6 HB3 GLN 61 - HE3 LYS 24 far 0 44 0 - 8.6-27.4 HB3 GLU 44 - HE2 LYS 39 far 0 99 0 - 8.7-12.0 HB3 GLU 44 - HE3 LYS 39 far 0 99 0 - 9.1-13.3 HB3 GLN 27 - HE2 LYS 39 far 0 92 0 - 9.4-29.1 HB3 LYS 39 - HE3 LYS 24 far 0 65 0 - 10.0-34.5 Violated in 0 structures by 0.00 A. Peak 1230 from aliabs.peaks (1.14, 2.93, 41.80 ppm; 6.41 A): 4 out of 11 assignments used, quality = 1.00: HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-3.8 4.0=100 * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.9 4.0=100 HG3 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.2-3.3 4.0=100 HG3 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.2-4.0 4.0=100 QG2 VAL 132 - HE3 LYS 39 poor 20 100 20 - 6.8-12.0 QG2 VAL 132 - HE2 LYS 39 poor 20 100 20 - 7.1-12.0 QG1 VAL 132 - HE3 LYS 39 far 10 99 10 - 7.4-13.6 QG1 VAL 132 - HE2 LYS 39 far 0 99 0 - 7.9-12.9 HG12 ILE 32 - HE3 LYS 24 far 0 49 0 - 8.0-19.0 HG3 LYS 39 - HE3 LYS 24 far 0 37 0 - 8.8-33.6 HG2 LYS 39 - HE3 LYS 24 far 0 65 0 - 9.3-34.8 Violated in 0 structures by 0.00 A. Peak 1231 from aliabs.peaks (1.16, 2.93, 41.80 ppm; 5.49 A): 5 out of 19 assignments used, quality = 1.00: HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.3 4.0=100 * HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-4.0 4.0=100 HG2 LYS 39 + HE2 LYS 39 OK 68 68 100 100 2.0-3.8 4.0=100 HG2 LYS 39 + HE3 LYS 39 OK 68 68 100 100 2.2-3.9 4.0=100 QG2 THR 25 + HE3 LYS 24 OK 43 53 90 89 2.1-8.1 10740/7.4=25...(44) QB ALA 41 - HE2 LYS 39 poor 18 92 20 - 5.4-8.8 QG2 VAL 132 - HE3 LYS 39 far 8 81 10 - 6.8-12.0 QB ALA 41 - HE3 LYS 24 far 5 55 10 - 5.0-22.1 QB ALA 41 - HE3 LYS 39 far 5 92 5 - 6.5-9.0 QG2 THR 18 - HE3 LYS 24 lone 1 65 40 5 3.3-16.0 QG2 VAL 132 - HE2 LYS 39 far 0 81 0 - 7.1-12.0 HG12 ILE 32 - HE3 LYS 24 far 0 63 0 - 8.0-19.0 QG2 VAL 77 - HE3 LYS 39 far 0 71 0 - 8.4-13.0 HG3 LYS 39 - HE3 LYS 24 far 0 65 0 - 8.8-33.6 QG2 THR 25 - HE2 LYS 39 far 0 90 0 - 8.9-28.8 QG2 VAL 77 - HE2 LYS 39 far 0 71 0 - 9.1-13.4 QG2 THR 18 - HE3 LYS 39 far 0 100 0 - 9.2-37.0 HG2 LYS 39 - HE3 LYS 24 far 0 37 0 - 9.3-34.8 QG2 THR 25 - HE3 LYS 39 far 0 90 0 - 9.7-29.1 Violated in 0 structures by 0.00 A. Peak 1232 from aliabs.peaks (1.68, 2.93, 41.80 ppm; 6.80 A): 6 out of 26 assignments used, quality = 1.00: HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 60 71 85 100 3.9-8.9 3.2/9120=52, 3.2/9123=50...(19) HD2 LYS 24 + HE3 LYS 24 OK 50 50 100 100 2.2-3.0 3.0=100 HB2 LEU 43 + HE3 LYS 39 OK 49 71 70 100 5.2-10.3 ~9120=52, 3.2/9123=47...(19) HD3 LYS 24 + HE3 LYS 24 OK 37 37 100 100 2.2-3.0 3.0=100 HG2 ARG 135 - HE2 LYS 39 poor 19 76 25 - 6.8-13.4 HD2 LYS 19 - HE3 LYS 24 poor 14 32 45 - 2.9-18.4 HG2 ARG 135 - HE3 LYS 39 lone 6 76 40 19 6.4-14.5 5.0/7985=10...(3) HD2 LYS 26 - HE3 LYS 24 far 5 47 10 - 7.6-12.5 HD2 LYS 31 - HE3 LYS 24 far 4 41 10 - 6.5-18.3 HD2 LYS 39 - HE3 LYS 24 far 3 65 5 - 8.3-35.1 HD2 LYS 36 - HE3 LYS 24 far 3 52 5 - 7.6-25.8 HD3 LYS 26 - HE3 LYS 24 far 3 52 5 - 7.8-13.8 HD3 LYS 95 - HE3 LYS 24 far 2 47 5 - 5.3-36.2 HD3 LYS 31 - HE3 LYS 24 far 2 46 5 - 5.0-18.2 HD2 LYS 95 - HE3 LYS 24 far 2 39 5 - 6.5-37.7 HD3 LYS 36 - HE3 LYS 24 far 0 50 0 - 8.4-26.0 HD3 LYS 24 - HE2 LYS 39 far 0 68 0 - 8.6-34.0 HD3 LYS 36 - HE2 LYS 39 far 0 87 0 - 8.7-18.2 HD2 LYS 86 - HE3 LYS 39 far 0 76 0 - 8.8-17.8 HD2 LYS 86 - HE2 LYS 39 far 0 76 0 - 9.4-18.7 HD2 LYS 36 - HE2 LYS 39 far 0 89 0 - 9.6-17.1 HB2 LEU 43 - HE3 LYS 24 far 0 39 0 - 9.7-31.8 QB ALA 88 - HE3 LYS 39 far 0 90 0 - 9.8-15.4 HD3 LYS 24 - HE3 LYS 39 far 0 68 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 1233 from aliabs.peaks (1.71, 2.93, 41.80 ppm; 6.80 A): 4 out of 12 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 43 + HE2 LYS 39 OK 83 97 85 100 3.9-8.9 3.2/9120=52, 3.2/9123=50...(20) HB2 LEU 43 + HE3 LYS 39 OK 68 97 70 100 5.2-10.3 ~9120=52, 3.2/9123=47...(19) HB ILE 80 - HE3 LYS 39 poor 20 78 25 - 6.8-12.7 HG LEU 48 - HE3 LYS 24 far 10 65 15 - 5.0-26.8 HB ILE 80 - HE2 LYS 39 far 8 78 10 - 6.8-13.3 HG2 ARG 135 - HE3 LYS 39 lone 7 96 40 18 6.4-14.5 7983/7985=11...(3) HG2 ARG 135 - HE2 LYS 39 poor 5 96 25 22 6.8-13.4 7983/7985=12...(3) HG LEU 98 - HE3 LYS 24 far 3 65 5 - 7.0-36.0 HD3 LYS 39 - HE3 LYS 24 far 0 65 0 - 9.7-35.8 HB2 LEU 43 - HE3 LYS 24 far 0 61 0 - 9.7-31.8 Violated in 0 structures by 0.00 A. Peak 1234 from aliabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 50 50 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 1235 from aliabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 50 50 - 100 Peak 1237 from aliabs.peaks (8.29, 3.83, 59.43 ppm; 5.42 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 40 + HA GLU 40 OK 100 100 100 100 2.7-2.8 2.8=100 H LEU 43 + HA GLU 40 OK 100 100 100 100 3.5-4.1 6509/9055=75...(18) H ARG 23 - HA GLU 40 far 0 68 0 - 9.1-31.6 H ALA 21 - HA GLU 40 far 0 71 0 - 9.1-35.4 H ASP 131 - HA GLU 40 far 0 92 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 1238 from aliabs.peaks (3.83, 3.83, 59.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 40 + HA GLU 40 OK 100 100 - 100 Peak 1239 from aliabs.peaks (1.90, 3.83, 59.43 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 36 - HA GLU 40 far 0 92 0 - 7.5-14.3 Violated in 0 structures by 0.00 A. Peak 1240 from aliabs.peaks (2.02, 3.83, 59.43 ppm; 3.65 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 40 + HA GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 44 + HA GLU 40 OK 21 100 25 83 4.5-8.1 6526/6514=42...(8) HB2 GLN 134 - HA GLU 40 far 0 100 0 - 6.2-10.7 HG3 PRO 81 - HA GLU 40 far 0 63 0 - 7.1-15.0 HB2 PRO 81 - HA GLU 40 far 0 49 0 - 7.7-15.1 HG2 PRO 81 - HA GLU 40 far 0 92 0 - 8.8-13.8 HG3 ARG 135 - HA GLU 40 far 0 97 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 1241 from aliabs.peaks (2.29, 3.83, 59.43 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 40 + HA GLU 40 OK 100 100 100 100 2.6-4.0 3.9=100 HG2 GLU 44 - HA GLU 40 far 3 68 5 - 4.3-8.5 Violated in 0 structures by 0.00 A. Peak 1242 from aliabs.peaks (2.39, 3.83, 59.43 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + HA GLU 40 OK 100 100 100 100 2.6-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1244 from aliabs.peaks (8.29, 3.83, 59.43 ppm; 5.42 A): 2 out of 5 assignments used, quality = 1.00: H GLU 40 + HA GLU 40 OK 100 100 100 100 2.7-2.8 2.8=100 * H LEU 43 + HA GLU 40 OK 100 100 100 100 3.5-4.1 6509/9055=75...(18) H ARG 23 - HA GLU 40 far 0 68 0 - 9.1-31.6 H ALA 21 - HA GLU 40 far 0 71 0 - 9.1-35.4 H ASP 131 - HA GLU 40 far 0 92 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 1245 from aliabs.peaks (1.70, 3.83, 59.43 ppm; 4.21 A): 3 out of 4 assignments used, quality = 1.00: HD3 LYS 39 + HA GLU 40 OK 94 97 100 96 3.8-5.7 ~1203=38, 1142/4.9=31...(21) * HB2 LEU 43 + HA GLU 40 OK 90 100 90 100 3.0-6.0 3.2/9055=61, 3.2/9055=54...(26) HD2 LYS 39 + HA GLU 40 OK 65 71 100 92 3.6-5.4 1203/2.8=32, 3.0/9056=25...(19) HG2 ARG 135 - HA GLU 40 far 0 100 0 - 10.0-15.4 Violated in 1 structures by 0.00 A. Peak 1246 from aliabs.peaks (1.28, 3.83, 59.43 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HA GLU 40 OK 100 100 100 100 3.2-4.8 3.2/9055=100...(24) HG12 ILE 37 - HA GLU 40 far 0 95 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 1248 from aliabs.peaks (3.83, 1.90, 28.21 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 9 - HB2 GLU 40 far 0 87 0 - 7.7-50.3 HB3 SER 33 - HB2 GLU 40 far 0 99 0 - 9.6-18.8 Violated in 0 structures by 0.00 A. Peak 1249 from aliabs.peaks (1.90, 1.90, 28.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 40 + HB2 GLU 40 OK 100 100 - 100 Peak 1250 from aliabs.peaks (2.02, 1.90, 28.21 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 40 + HB2 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 44 - HB2 GLU 40 poor 20 100 20 - 4.2-8.1 HB2 GLN 134 - HB2 GLU 40 far 0 100 0 - 7.8-12.9 HG3 PRO 81 - HB2 GLU 40 far 0 63 0 - 9.1-16.6 HB2 PRO 81 - HB2 GLU 40 far 0 49 0 - 9.2-16.3 HB VAL 20 - HB2 GLU 40 far 0 81 0 - 9.6-34.2 Violated in 0 structures by 0.00 A. Peak 1251 from aliabs.peaks (2.29, 1.90, 28.21 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 44 - HB2 GLU 40 far 7 68 10 - 3.6-9.0 Violated in 0 structures by 0.00 A. Peak 1252 from aliabs.peaks (2.39, 1.90, 28.21 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + HB2 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1254 from aliabs.peaks (8.29, 2.02, 28.21 ppm; 4.19 A): 3 out of 12 assignments used, quality = 1.00: * H GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.2-3.6 4.0=100 H LEU 43 + HB2 GLU 44 OK 90 99 95 96 4.3-6.0 3.9/6526=62...(14) H LEU 43 + HB3 GLU 40 OK 25 100 30 83 5.4-6.4 6495/3.0=30, 6496/4.6=30...(14) H GLU 30 - HB2 GLU 44 far 0 79 0 - 6.2-21.2 H GLU 40 - HB2 GLU 44 far 0 99 0 - 6.4-9.3 H LEU 49 - HB2 GLU 44 far 0 91 0 - 6.9-9.1 H ARG 23 - HB3 GLU 40 far 0 68 0 - 7.5-33.0 H ALA 21 - HB3 GLU 40 far 0 71 0 - 7.7-36.6 H LEU 96 - HG2 ARG 90 far 0 77 0 - 9.0-11.1 H LEU 69 - HB2 GLU 44 far 0 94 0 - 9.3-12.0 H ALA 21 - HB2 GLU 44 far 0 67 0 - 9.8-32.1 H ARG 23 - HB2 GLU 44 far 0 65 0 - 9.9-29.4 Violated in 0 structures by 0.00 A. Peak 1256 from aliabs.peaks (1.90, 2.02, 28.21 ppm; 3.09 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 40 + HB3 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 + HG2 ARG 90 OK 74 74 100 100 2.2-3.0 2.9=100 HB2 GLU 40 - HB2 GLU 44 far 10 99 10 - 4.2-8.1 HB3 LYS 36 - HB3 GLU 40 far 5 92 5 - 4.5-14.7 HB3 LYS 36 - HB2 GLU 44 far 0 88 0 - 4.9-12.9 HB3 LEU 48 - HB2 GLU 44 far 0 98 0 - 6.1-9.2 HB3 ARG 84 - HG2 ARG 90 far 0 83 0 - 9.7-12.3 HB3 LEU 49 - HB2 GLU 44 far 0 87 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1257 from aliabs.peaks (2.02, 2.02, 28.21 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 40 + HB3 GLU 40 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 98 98 - 100 HG2 ARG 90 + HG2 ARG 90 OK 84 84 - 100 Peak 1258 from aliabs.peaks (2.29, 2.02, 28.21 ppm; 3.43 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 44 + HB2 GLU 44 OK 65 65 100 100 2.2-3.0 3.0=100 HG2 GLU 40 - HB2 GLU 44 far 15 99 15 - 4.3-8.6 HG2 GLU 44 - HB3 GLU 40 far 3 68 5 - 4.2-9.8 HB VAL 132 - HG2 ARG 90 far 0 80 0 - 7.7-11.2 HG3 GLN 68 - HB2 GLU 44 far 0 57 0 - 7.7-11.8 HG3 GLU 30 - HB2 GLU 44 far 0 83 0 - 7.9-23.5 HG2 GLU 30 - HG2 ARG 90 far 0 67 0 - 8.3-32.3 HG3 GLU 30 - HG2 ARG 90 far 0 67 0 - 8.6-30.7 HG2 GLU 30 - HB2 GLU 44 far 0 83 0 - 9.0-24.3 Violated in 0 structures by 0.00 A. Peak 1259 from aliabs.peaks (2.39, 2.02, 28.21 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 40 - HB2 GLU 44 far 15 99 15 - 4.7-7.7 HG3 GLU 97 - HG2 ARG 90 far 0 82 0 - 8.8-13.8 HG3 GLU 128 - HG2 ARG 90 far 0 46 0 - 9.2-14.9 Violated in 0 structures by 0.00 A. Peak 1261 from aliabs.peaks (8.29, 2.29, 35.43 ppm; 6.22 A): 4 out of 15 assignments used, quality = 1.00: * H GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.1-4.4 4.8=100 H LEU 43 + HG2 GLU 40 OK 96 100 100 96 4.7-7.2 6496/1267=57...(10) H GLU 30 + HG3 GLU 30 OK 47 47 100 100 2.0-3.3 5.1=100 H GLU 30 + HG2 GLU 30 OK 47 47 100 100 2.3-3.6 5.1=100 H ARG 23 - HG2 GLU 30 poor 7 37 20 - 5.7-17.9 H ARG 23 - HG3 GLU 30 far 6 37 15 - 5.8-16.5 H ALA 21 - HG2 GLU 40 far 4 71 5 - 6.2-34.2 H ARG 23 - HG2 GLU 40 far 3 68 5 - 5.2-31.1 H LEU 69 - HG3 GLU 30 far 3 59 5 - 7.1-15.1 H ALA 21 - HG2 GLU 30 far 2 39 5 - 4.6-19.7 H ALA 21 - HG3 GLU 30 far 2 39 5 - 6.4-19.0 H LEU 49 - HG3 GLU 30 far 0 57 0 - 7.8-21.3 H LEU 69 - HG2 GLU 30 far 0 59 0 - 8.8-15.9 H LEU 49 - HG2 GLU 30 far 0 57 0 - 8.8-22.0 H LEU 96 - HG2 GLU 30 far 0 58 0 - 8.9-24.2 Violated in 0 structures by 0.00 A. Peak 1262 from aliabs.peaks (3.83, 2.29, 35.43 ppm; 3.64 A): 1 out of 11 assignments used, quality = 1.00: * HA GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.6-4.0 3.9=84, 1269/1.8=75...(15) HD3 PRO 58 - HG3 GLU 30 far 0 59 0 - 5.7-28.6 HD3 PRO 58 - HG2 GLU 30 far 0 59 0 - 6.9-27.1 HA LEU 62 - HG3 GLU 30 far 0 64 0 - 7.4-21.0 HA LEU 62 - HG2 GLU 30 far 0 64 0 - 7.7-20.0 HB3 SER 33 - HG2 GLU 30 far 0 63 0 - 7.9-12.1 HB3 SER 33 - HG3 GLU 30 far 0 63 0 - 8.2-12.0 HB2 SER 9 - HG2 GLU 40 far 0 87 0 - 8.7-48.4 HB3 SER 33 - HG2 GLU 40 far 0 99 0 - 9.1-18.6 HD2 PRO 81 - HG2 GLU 40 far 0 78 0 - 9.2-15.1 HB2 SER 9 - HG2 GLU 30 far 0 50 0 - 9.6-36.9 Violated in 14 structures by 0.16 A. Peak 1263 from aliabs.peaks (1.90, 2.29, 35.43 ppm; 3.43 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 36 - HG2 GLU 40 far 5 92 5 - 4.8-15.6 HB2 MET 11 - HG2 GLU 30 far 0 49 0 - 5.4-33.6 HB3 LEU 48 - HG3 GLU 30 far 0 64 0 - 6.5-22.4 HB3 LEU 49 - HG3 GLU 30 far 0 53 0 - 6.6-20.6 HB2 MET 11 - HG3 GLU 30 far 0 49 0 - 6.7-32.8 HB2 ARG 90 - HG2 GLU 30 far 0 56 0 - 7.1-30.8 HB3 LEU 49 - HG2 GLU 30 far 0 53 0 - 7.7-21.0 HB2 ARG 90 - HG3 GLU 30 far 0 56 0 - 7.7-29.2 HB3 LYS 36 - HG3 GLU 30 far 0 54 0 - 7.9-17.0 HB3 LEU 48 - HG2 GLU 30 far 0 64 0 - 8.1-22.8 HB3 LYS 36 - HG2 GLU 30 far 0 54 0 - 8.9-16.2 Violated in 0 structures by 0.00 A. Peak 1264 from aliabs.peaks (2.02, 2.29, 35.43 ppm; 3.30 A): 3 out of 23 assignments used, quality = 1.00: * HB3 GLU 40 + HG2 GLU 40 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 30 + HG2 GLU 30 OK 59 59 100 100 2.4-2.9 3.0=100 HB3 GLU 30 + HG3 GLU 30 OK 59 59 100 100 2.8-3.0 3.0=100 HB2 GLU 44 - HG2 GLU 40 far 5 100 5 - 4.3-8.6 HG2 PRO 58 - HG3 GLU 30 far 3 64 5 - 4.4-28.2 HB VAL 20 - HG2 GLU 30 far 2 45 5 - 3.9-19.4 HB VAL 20 - HG3 GLU 30 far 0 45 0 - 5.1-19.0 HB3 MET 11 - HG2 GLU 30 far 0 61 0 - 5.2-32.0 QE MET 11 - HG2 GLU 30 far 0 63 0 - 5.3-27.0 HG2 PRO 58 - HG2 GLU 30 far 0 64 0 - 5.5-26.7 QE MET 11 - HG3 GLU 30 far 0 63 0 - 5.9-26.3 HB3 MET 11 - HG3 GLU 30 far 0 61 0 - 6.3-31.1 HB2 GLN 134 - HG2 GLU 40 far 0 100 0 - 6.5-14.5 HG3 PRO 81 - HG2 GLU 40 far 0 63 0 - 6.9-15.5 HB2 PRO 81 - HG2 GLU 40 far 0 49 0 - 6.9-15.5 HB VAL 20 - HG2 GLU 40 far 0 81 0 - 7.4-32.5 HB2 GLU 44 - HG3 GLU 30 far 0 65 0 - 7.9-23.5 HG2 ARG 90 - HG2 GLU 30 far 0 65 0 - 8.3-32.3 HG2 PRO 81 - HG2 GLU 40 far 0 92 0 - 8.6-16.4 HG2 ARG 90 - HG3 GLU 30 far 0 65 0 - 8.6-30.7 HB2 GLU 44 - HG2 GLU 30 far 0 65 0 - 9.0-24.3 HB VAL 63 - HG3 GLU 30 far 0 65 0 - 9.3-20.0 HB VAL 63 - HG2 GLU 30 far 0 65 0 - 9.3-18.7 Violated in 0 structures by 0.00 A. Peak 1265 from aliabs.peaks (2.29, 2.29, 35.43 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 40 + HG2 GLU 40 OK 100 100 - 100 HG2 GLU 30 + HG2 GLU 30 OK 50 50 - 100 HG3 GLU 30 + HG3 GLU 30 OK 50 50 - 100 Peak 1266 from aliabs.peaks (2.39, 2.29, 35.43 ppm; 2.73 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLU 40 + HG2 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 61 - HG3 GLU 30 far 0 57 0 - 6.1-24.2 HB3 PRO 58 - HG3 GLU 30 far 0 54 0 - 6.7-28.1 HG2 GLN 104 - HG3 GLU 30 far 0 56 0 - 6.7-23.1 HG2 GLN 104 - HG2 GLU 30 far 0 56 0 - 7.0-23.5 HG3 GLU 97 - HG2 GLU 30 far 0 63 0 - 7.2-25.9 HB3 PRO 58 - HG2 GLU 30 far 0 54 0 - 7.7-26.8 HG3 GLN 61 - HG2 GLU 30 far 0 57 0 - 7.9-22.7 HG3 GLU 97 - HG3 GLU 30 far 0 63 0 - 8.2-24.3 Violated in 0 structures by 0.00 A. Peak 1268 from aliabs.peaks (8.29, 2.39, 35.43 ppm; 4.85 A): 4 out of 10 assignments used, quality = 1.00: * H GLU 40 + HG3 GLU 40 OK 100 100 100 100 1.9-4.5 4.8=100 H LEU 96 + HG3 GLU 97 OK 74 75 100 98 3.3-6.1 7330/4.6=62...(15) H LEU 43 + HG3 GLU 40 OK 73 100 80 91 5.1-6.7 4.4/10929=47...(10) H SER 99 + HG3 GLU 97 OK 51 82 65 95 4.6-6.8 7375/3146=43...(21) H ALA 21 - HG3 GLU 40 far 4 71 5 - 5.6-34.7 H ARG 23 - HG3 GLU 40 far 3 68 5 - 5.7-31.4 H LEU 69 - HG3 GLU 97 far 0 77 0 - 7.5-12.5 H VAL 126 - HG3 GLU 97 far 0 80 0 - 7.5-10.0 H GLU 30 - HG3 GLU 97 far 0 62 0 - 7.9-23.6 H LEU 123 - HG3 GLU 97 far 0 62 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 1269 from aliabs.peaks (3.83, 2.39, 35.43 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.99: * HA GLU 40 + HG3 GLU 40 OK 99 100 100 99 2.6-3.8 3.9=78, 1262/1.8=70...(15) HB2 SER 9 - HG3 GLU 40 far 0 87 0 - 8.7-49.1 HA LEU 123 - HG3 GLU 97 far 0 60 0 - 8.9-12.7 HA VAL 118 - HG3 GLU 97 far 0 52 0 - 9.0-12.3 HD2 PRO 81 - HG3 GLU 40 far 0 78 0 - 9.1-14.4 HB3 SER 33 - HG3 GLU 40 far 0 99 0 - 9.8-18.0 Violated in 15 structures by 0.07 A. Peak 1270 from aliabs.peaks (1.90, 2.39, 35.43 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 36 - HG3 GLU 40 far 0 92 0 - 5.8-14.7 HB2 ARG 90 - HG3 GLU 97 far 0 73 0 - 8.4-12.5 Violated in 0 structures by 0.00 A. Peak 1271 from aliabs.peaks (2.02, 2.39, 35.43 ppm; 3.24 A): 1 out of 12 assignments used, quality = 1.00: * HB3 GLU 40 + HG3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 44 - HG3 GLU 40 far 5 100 5 - 4.7-7.7 HB2 PRO 81 - HG3 GLU 40 far 0 49 0 - 7.2-14.4 HB VAL 20 - HG3 GLU 40 far 0 81 0 - 7.6-33.2 HG3 PRO 81 - HG3 GLU 40 far 0 63 0 - 7.6-15.0 HB2 GLN 134 - HG3 GLU 40 far 0 100 0 - 7.7-13.9 HB3 GLU 30 - HG3 GLU 97 far 0 77 0 - 8.5-24.7 HG2 ARG 90 - HG3 GLU 97 far 0 83 0 - 8.8-13.8 HB ILE 129 - HG3 GLU 97 far 0 64 0 - 8.8-11.7 HB3 GLU 91 - HG3 GLU 97 far 0 77 0 - 9.1-13.2 HG2 PRO 81 - HG3 GLU 40 far 0 92 0 - 9.3-15.9 HB2 GLU 91 - HG3 GLU 97 far 0 48 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 1272 from aliabs.peaks (2.29, 2.39, 35.43 ppm; 2.55 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 40 + HG3 GLU 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 101 + HG3 GLU 97 OK 29 77 55 69 2.8-7.9 3300=16, 3298/2.9=15...(24) HG2 GLU 44 - HG3 GLU 40 far 0 68 0 - 4.4-10.6 HG2 GLU 30 - HG3 GLU 97 far 0 66 0 - 7.2-25.9 HG3 GLU 30 - HG3 GLU 97 far 0 66 0 - 8.2-24.3 HG3 GLN 68 - HG3 GLU 40 far 0 60 0 - 9.5-18.1 HG3 GLN 68 - HG3 GLU 97 far 0 43 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 1273 from aliabs.peaks (2.39, 2.39, 35.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 40 + HG3 GLU 40 OK 100 100 - 100 HG3 GLU 97 + HG3 GLU 97 OK 81 81 - 100 Peak 1276 from aliabs.peaks (3.91, 3.91, 54.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 41 + HA ALA 41 OK 100 100 - 100 Peak 1277 from aliabs.peaks (1.18, 3.91, 54.50 ppm; 2.97 A): 1 out of 5 assignments used, quality = 1.00: * QB ALA 41 + HA ALA 41 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 25 - HA ALA 41 far 5 100 5 - 2.6-23.6 HG12 ILE 32 - HA ALA 41 far 4 78 5 - 3.8-16.9 HG3 LYS 39 - HA ALA 41 far 0 92 0 - 6.6-7.1 QG2 THR 18 - HA ALA 41 far 0 97 0 - 9.1-31.5 Violated in 0 structures by 0.00 A. Peak 1278 from aliabs.peaks (7.49, 3.91, 54.50 ppm; 6.23 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + HA ALA 41 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1279 from aliabs.peaks (8.33, 3.91, 54.50 ppm; 6.11 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA ALA 41 OK 100 100 100 100 3.1-3.7 6515=100, 6527/1409=98...(13) H ALA 21 - HA ALA 41 far 0 83 0 - 9.1-31.8 H TYR 72 - HA ALA 41 far 0 97 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 1280 from aliabs.peaks (2.02, 3.91, 54.50 ppm; 4.07 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 44 + HA ALA 41 OK 100 100 100 100 2.2-4.1 1401=100, 1.8/1409=85...(18) HB3 GLU 40 + HA ALA 41 OK 55 100 55 100 4.0-5.6 ~6470=41, ~1253=37...(24) HB VAL 20 - HA ALA 41 far 0 76 0 - 8.0-29.9 Violated in 0 structures by 0.00 A. Peak 1281 from aliabs.peaks (2.07, 3.91, 54.50 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 44 + HA ALA 41 OK 100 100 100 100 2.6-4.2 1409=100, 1.8/1401=83...(22) HB3 GLN 27 - HA ALA 41 far 5 98 5 - 2.0-24.0 HB3 LYS 39 - HA ALA 41 far 0 99 0 - 7.7-8.4 HG3 GLN 134 - HA ALA 41 far 0 100 0 - 8.9-13.5 Violated in 2 structures by 0.00 A. Peak 1282 from aliabs.peaks (7.89, 1.18, 17.90 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 41 + QB ALA 41 OK 100 100 100 100 2.0-2.2 3.0=100 H GLN 68 - QB ALA 41 far 0 63 0 - 8.1-11.7 Violated in 0 structures by 0.00 A. Peak 1283 from aliabs.peaks (3.91, 1.18, 17.90 ppm; 2.84 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 41 + QB ALA 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 SER 33 - QB ALA 41 far 0 99 0 - 5.9-10.6 HA ALA 46 - QB ALA 41 far 0 78 0 - 7.5-8.8 HA2 GLY 2 - QB ALA 41 far 0 87 0 - 9.4-52.9 Violated in 0 structures by 0.00 A. Peak 1284 from aliabs.peaks (1.18, 1.18, 17.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 41 + QB ALA 41 OK 100 100 - 100 Peak 1285 from aliabs.peaks (7.49, 1.18, 17.90 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + QB ALA 41 OK 100 100 100 100 2.3-2.9 3.7=100 H GLN 134 - QB ALA 41 far 0 100 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 1286 from aliabs.peaks (7.49, 3.47, 59.85 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 100 100 2.7-2.8 2.8=100 H GLN 134 - HA LEU 42 far 0 100 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 1287 from aliabs.peaks (3.47, 3.47, 59.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HA LEU 42 OK 100 100 - 100 Peak 1288 from aliabs.peaks (1.37, 3.47, 59.85 ppm; 4.30 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 42 + HA LEU 42 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 36 - HA LEU 42 poor 10 99 25 39 4.5-11.0 10820/10826=25...(4) QB ALA 29 - HA LEU 42 far 0 100 0 - 6.1-13.6 QB ALA 16 - HA LEU 42 far 0 87 0 - 7.7-26.3 QB ALA 21 - HA LEU 42 far 0 65 0 - 8.2-25.8 HG3 LYS 26 - HA LEU 42 far 0 99 0 - 8.3-23.9 QB ALA 28 - HA LEU 42 far 0 97 0 - 8.9-16.3 QB ALA 15 - HA LEU 42 far 0 99 0 - 9.2-28.6 HB2 LEU 96 - HA LEU 42 far 0 99 0 - 9.7-12.3 HG3 LYS 31 - HA LEU 42 far 0 96 0 - 9.9-18.6 Violated in 0 structures by 0.00 A. Peak 1289 from aliabs.peaks (1.54, 3.47, 59.85 ppm; 4.38 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 69 + HA LEU 42 OK 33 60 60 90 4.3-7.5 2.1/9072=69...(16) HG13 ILE 37 + HA LEU 42 OK 28 97 30 95 4.7-9.8 3.2/10826=59...(13) HG LEU 49 - HA LEU 42 far 0 63 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 1290 from aliabs.peaks (1.49, 3.47, 59.85 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 42 + HA LEU 42 OK 100 100 100 100 2.1-3.7 3.7=100 HG LEU 69 + HA LEU 42 OK 26 60 50 87 4.3-7.5 2.1/9072=64, 1335/3.9=13...(15) HG3 LYS 36 - HA LEU 42 poor 13 63 20 - 4.7-11.6 HB2 LEU 49 - HA LEU 42 far 0 97 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 1291 from aliabs.peaks (0.63, 3.47, 59.85 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HA LEU 42 OK 100 100 100 100 2.4-3.8 4.1=100 QD1 ILE 129 - HA LEU 42 far 0 89 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 1292 from aliabs.peaks (0.56, 3.47, 59.85 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HA LEU 42 OK 100 100 100 100 3.0-4.1 3.9=100 Violated in 0 structures by 0.00 A. Peak 1293 from aliabs.peaks (8.29, 3.47, 59.85 ppm; 5.28 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 43 + HA LEU 42 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 69 + HA LEU 42 OK 24 97 30 84 6.0-8.4 4.3/9072=65...(7) H GLU 40 - HA LEU 42 far 10 100 10 - 6.7-7.4 H LEU 49 - HA LEU 42 far 0 95 0 - 8.2-9.4 H ASP 131 - HA LEU 42 far 0 92 0 - 8.3-10.6 H VAL 126 - HA LEU 42 far 0 99 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 1295 from aliabs.peaks (2.93, 3.47, 59.85 ppm; 4.74 A): 1 out of 11 assignments used, quality = 1.00: * HB2 CYS 45 + HA LEU 42 OK 100 100 100 100 2.4-4.8 1439=82, 1.8/1445=75...(11) HE3 LYS 36 - HA LEU 42 poor 14 71 20 - 2.5-11.5 HE2 LYS 36 - HA LEU 42 far 7 71 10 - 3.6-10.5 HE2 LYS 26 - HA LEU 42 far 0 73 0 - 7.4-26.2 HE2 LYS 31 - HA LEU 42 far 0 73 0 - 8.0-17.8 HE3 LYS 26 - HA LEU 42 far 0 65 0 - 8.0-26.3 HE2 LYS 39 - HA LEU 42 far 0 99 0 - 8.7-10.1 HE3 LYS 39 - HA LEU 42 far 0 99 0 - 9.1-11.4 HE2 LYS 24 - HA LEU 42 far 0 87 0 - 9.2-27.3 HE3 LYS 31 - HA LEU 42 far 0 87 0 - 9.5-19.1 HE3 LYS 24 - HA LEU 42 far 0 96 0 - 9.8-28.2 Violated in 1 structures by 0.00 A. Peak 1296 from aliabs.peaks (3.12, 3.47, 59.85 ppm; 4.89 A): 2 out of 4 assignments used, quality = 1.00: * HB3 CYS 45 + HA LEU 42 OK 100 100 100 100 3.2-5.1 1445=99, 1.8/1295=83...(8) HB3 TYR 76 + HA LEU 42 OK 42 90 50 93 5.8-9.0 9096/3.9=58...(8) HB3 HIS 7 - HA LEU 42 far 0 76 0 - 9.6-51.5 HB2 HIS 7 - HA LEU 42 far 0 96 0 - 9.9-50.7 Violated in 0 structures by 0.00 A. Peak 1297 from aliabs.peaks (3.40, 1.37, 42.33 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB2 LEU 42 OK 100 100 100 100 2.1-4.2 1147=100, 1148/1.8=100...(12) Violated in 0 structures by 0.00 A. Peak 1299 from aliabs.peaks (3.47, 1.37, 42.33 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.4-3.0 3.0=100 HA VAL 77 - HB2 LEU 42 far 0 85 0 - 7.8-10.9 HA ILE 129 - HB2 LEU 42 far 0 92 0 - 8.1-10.9 HA VAL 132 - HB2 LEU 42 far 0 60 0 - 9.3-13.1 Violated in 0 structures by 0.00 A. Peak 1300 from aliabs.peaks (1.37, 1.37, 42.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 Peak 1301 from aliabs.peaks (1.54, 1.37, 42.33 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + HB2 LEU 42 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 37 - HB2 LEU 42 far 10 97 10 - 3.3-10.0 HG LEU 69 - HB2 LEU 42 far 0 60 0 - 5.6-9.1 HG LEU 49 - HB2 LEU 42 far 0 63 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 1302 from aliabs.peaks (1.49, 1.37, 42.33 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 69 - HB2 LEU 42 far 3 60 5 - 5.6-9.1 HG3 LYS 36 - HB2 LEU 42 far 0 63 0 - 6.5-12.2 Violated in 0 structures by 0.00 A. Peak 1303 from aliabs.peaks (0.63, 1.37, 42.33 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 ILE 129 - HB2 LEU 42 far 0 89 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 1304 from aliabs.peaks (0.56, 1.37, 42.33 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.0-3.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 1306 from aliabs.peaks (3.40, 1.54, 42.33 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB3 LEU 42 OK 100 100 100 100 2.6-5.0 1148=100, 1147/1.8=91...(11) Violated in 0 structures by 0.00 A. Peak 1307 from aliabs.peaks (7.49, 1.54, 42.33 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.1-3.6 4.0=100 H GLN 134 + HB3 LEU 42 OK 47 100 55 86 5.3-10.1 1331/3.1=46, 4250/381=33...(7) Violated in 0 structures by 0.00 A. Peak 1308 from aliabs.peaks (3.47, 1.54, 42.33 ppm; 5.02 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.2-3.0 3.0=100 HA ILE 129 - HB3 LEU 42 far 0 92 0 - 7.1-10.4 HA VAL 77 - HB3 LEU 42 far 0 85 0 - 7.9-11.1 HA VAL 132 - HB3 LEU 42 far 0 60 0 - 8.8-12.9 Violated in 0 structures by 0.00 A. Peak 1309 from aliabs.peaks (1.37, 1.54, 42.33 ppm; 5.26 A): 3 out of 20 assignments used, quality = 1.00: * HB2 LEU 42 + HB3 LEU 42 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 21 + HB2 LEU 22 OK 42 43 100 97 4.8-6.0 3.7/6188=88...(13) HG2 LYS 24 + HB2 LEU 22 OK 21 76 50 56 2.2-7.7 10703/3.1=16...(17) HG2 LYS 19 - HB2 LEU 22 poor 19 76 25 - 5.0-13.8 HG2 LYS 36 - HB3 LEU 42 far 10 99 10 - 5.1-12.0 QB ALA 108 - HB2 LEU 22 far 7 75 10 - 5.2-34.4 QB ALA 15 - HB2 LEU 22 far 7 73 10 - 4.7-14.5 HG3 LYS 26 - HB2 LEU 22 far 7 73 10 - 6.1-12.8 QB ALA 110 - HB2 LEU 22 far 4 72 5 - 6.2-38.2 QB ALA 109 - HB2 LEU 22 far 3 66 5 - 4.9-35.7 QB ALA 12 - HB2 LEU 22 far 3 66 5 - 6.3-14.5 QB ALA 28 - HB2 LEU 22 lone 0 70 30 1 4.4-15.7 QB ALA 16 - HB2 LEU 22 far 0 60 0 - 7.3-15.0 HG3 LYS 31 - HB2 LEU 22 far 0 69 0 - 7.8-19.0 QB ALA 29 - HB3 LEU 42 far 0 100 0 - 8.1-15.3 QB ALA 29 - HB2 LEU 22 far 0 75 0 - 8.3-15.5 QB ALA 16 - HB3 LEU 42 far 0 87 0 - 8.4-27.2 HG2 LYS 36 - HB2 LEU 22 far 0 74 0 - 9.0-30.1 QB ALA 21 - HB3 LEU 42 far 0 65 0 - 9.9-26.0 HB2 LEU 96 - HB3 LEU 42 far 0 99 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1310 from aliabs.peaks (1.54, 1.54, 42.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 42 + HB3 LEU 42 OK 100 100 - 100 HB2 LEU 22 + HB2 LEU 22 OK 77 77 - 100 Peak 1311 from aliabs.peaks (1.49, 1.54, 42.33 ppm; 4.74 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.6-3.0 3.0=100 HG LEU 69 - HB3 LEU 42 poor 18 60 30 - 4.2-9.4 HG3 LYS 36 - HB3 LEU 42 far 3 63 5 - 5.9-12.8 HG3 LYS 36 - HB2 LEU 22 far 0 41 0 - 7.8-30.5 QB ALA 52 - HB2 LEU 22 far 0 74 0 - 9.1-24.9 HB2 LEU 49 - HB3 LEU 42 far 0 97 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 1312 from aliabs.peaks (0.63, 1.54, 42.33 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB3 LEU 42 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 ILE 129 - HB3 LEU 42 far 0 89 0 - 6.5-9.5 Violated in 0 structures by 0.00 A. Peak 1313 from aliabs.peaks (0.56, 1.54, 42.33 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HB3 LEU 42 OK 100 100 100 100 1.9-3.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 1314 from aliabs.peaks (8.29, 1.54, 42.33 ppm; 4.85 A): 4 out of 10 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 42 OK 100 100 100 100 2.2-4.1 4.6=100 H GLU 40 + HB3 LEU 42 OK 54 100 65 84 5.0-7.3 3.6/1148=61, 6491/4.0=29...(6) H ARG 23 + HB2 LEU 22 OK 45 45 100 100 1.9-4.0 4.6=100 H ALA 21 + HB2 LEU 22 OK 37 47 90 87 4.9-6.5 4.6/6188=66, ~11967=18...(12) H ASP 131 - HB3 LEU 42 far 9 92 10 - 6.0-10.5 H LEU 69 - HB3 LEU 42 far 5 97 5 - 5.8-10.2 H ALA 110 - HB2 LEU 22 far 0 41 0 - 6.6-44.6 H GLU 30 - HB2 LEU 22 far 0 56 0 - 8.3-17.6 H LEU 49 - HB3 LEU 42 far 0 95 0 - 9.7-11.8 H VAL 126 - HB3 LEU 42 far 0 99 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 1315 from aliabs.peaks (7.49, 1.49, 28.46 ppm; 5.69 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + HG LEU 42 OK 100 100 100 100 2.8-4.5 4.6=100 H GLN 134 + HG LEU 42 OK 29 100 30 97 6.2-9.3 7946/10568=76...(8) Violated in 0 structures by 0.00 A. Peak 1316 from aliabs.peaks (3.47, 1.49, 28.46 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-3.7 3.7=100 HA ILE 129 - HG LEU 42 far 0 92 0 - 7.3-9.8 HA VAL 77 - HG LEU 42 far 0 85 0 - 7.7-10.6 HA VAL 132 - HG LEU 42 far 0 60 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 1317 from aliabs.peaks (1.37, 1.49, 28.46 ppm; 4.33 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 36 - HG LEU 42 far 10 99 10 - 4.4-13.5 QB ALA 29 - HG LEU 42 far 0 100 0 - 7.3-15.0 HB2 LEU 96 - HG LEU 42 far 0 99 0 - 7.9-12.6 HG LEU 96 - HG LEU 42 far 0 73 0 - 8.6-12.8 QB ALA 21 - HG LEU 42 far 0 65 0 - 9.8-28.1 QB ALA 16 - HG LEU 42 far 0 87 0 - 9.9-29.2 Violated in 0 structures by 0.00 A. Peak 1318 from aliabs.peaks (1.54, 1.49, 28.46 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + HG LEU 42 OK 100 100 100 100 2.6-3.0 3.0=100 HG LEU 69 + HG LEU 42 OK 39 60 65 100 3.4-9.6 2.1/9078=81, ~11039=69...(32) HG13 ILE 37 - HG LEU 42 far 5 97 5 - 4.6-10.4 HG LEU 49 - HG LEU 42 far 0 63 0 - 7.6-10.4 Violated in 0 structures by 0.00 A. Peak 1319 from aliabs.peaks (1.49, 1.49, 28.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 42 + HG LEU 42 OK 100 100 - 100 Peak 1320 from aliabs.peaks (0.63, 1.49, 28.46 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 129 - HG LEU 42 far 4 89 5 - 5.2-9.1 Violated in 0 structures by 0.00 A. Peak 1321 from aliabs.peaks (0.56, 1.49, 28.46 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1322 from aliabs.peaks (8.29, 1.49, 28.46 ppm; 5.24 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 43 + HG LEU 42 OK 100 100 100 100 1.9-4.9 6502=100, 6504/2.1=94...(20) H GLU 40 - HG LEU 42 far 10 100 10 - 4.8-8.6 H LEU 69 - HG LEU 42 far 10 97 10 - 6.7-9.9 H ASP 131 - HG LEU 42 far 9 92 10 - 6.1-8.7 H VAL 126 - HG LEU 42 far 0 99 0 - 8.3-13.0 H LEU 49 - HG LEU 42 far 0 95 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 1323 from aliabs.peaks (7.49, 0.63, 27.44 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.8-4.3 6489=96, 6488/2.1=73...(13) H GLN 134 - QD1 LEU 42 far 5 100 5 - 5.1-8.2 Violated in 0 structures by 0.00 A. Peak 1324 from aliabs.peaks (3.47, 0.63, 27.44 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.4-3.8 4.1=86, 1332/2.1=59...(21) HA VAL 77 - QD1 LEU 42 poor 17 85 20 - 4.8-7.4 HA ILE 129 - QD1 LEU 42 far 0 92 0 - 5.7-8.1 HA VAL 132 - QD1 LEU 42 far 0 60 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 1325 from aliabs.peaks (1.37, 0.63, 27.44 ppm; 3.82 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.9-3.2 3.2=100 HG2 LYS 36 - QD1 LEU 42 poor 20 99 20 - 4.4-12.2 QB ALA 29 - QD1 LEU 42 far 0 100 0 - 6.5-12.7 QB ALA 12 - QD1 LEU 42 far 0 93 0 - 6.9-25.9 HG LEU 96 - QD1 LEU 42 far 0 73 0 - 7.3-11.0 HB2 LEU 96 - QD1 LEU 42 far 0 99 0 - 7.4-10.9 QB ALA 16 - QD1 LEU 42 far 0 87 0 - 7.7-23.8 QB ALA 21 - QD1 LEU 42 far 0 65 0 - 9.1-22.1 HG3 LYS 26 - QD1 LEU 42 far 0 99 0 - 9.4-22.5 HG3 LYS 31 - QD1 LEU 42 far 0 96 0 - 9.5-18.2 QB ALA 15 - QD1 LEU 42 far 0 99 0 - 9.8-26.4 HB3 LEU 100 - QD1 LEU 42 far 0 100 0 - 9.9-13.7 QB ALA 28 - QD1 LEU 42 far 0 97 0 - 10.0-15.7 Violated in 0 structures by 0.00 A. Peak 1326 from aliabs.peaks (1.54, 0.63, 27.44 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.9-3.2 3.2=100 HG LEU 69 + QD1 LEU 42 OK 30 60 50 100 2.5-8.2 ~11039=45, ~11066=44...(30) HG13 ILE 37 - QD1 LEU 42 poor 19 97 20 - 3.3-7.9 HG LEU 49 - QD1 LEU 42 far 0 63 0 - 6.6-9.8 Violated in 0 structures by 0.00 A. Peak 1327 from aliabs.peaks (1.49, 0.63, 27.44 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 69 + QD1 LEU 42 OK 27 60 45 99 2.5-8.2 ~11039=38, ~11066=37...(32) HG3 LYS 36 - QD1 LEU 42 far 6 63 10 - 4.5-12.2 HG3 LYS 86 - QD1 LEU 42 far 0 97 0 - 7.2-10.8 HB2 LEU 49 - QD1 LEU 42 far 0 97 0 - 7.9-11.4 Violated in 0 structures by 0.00 A. Peak 1328 from aliabs.peaks (0.63, 0.63, 27.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + QD1 LEU 42 OK 100 100 - 100 Peak 1329 from aliabs.peaks (0.56, 0.63, 27.44 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1330 from aliabs.peaks (8.29, 0.63, 27.44 ppm; 4.65 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 42 OK 100 100 100 100 2.5-5.0 6503=99, 6504/2.1=83...(24) H GLU 40 + QD1 LEU 42 OK 27 100 40 67 4.2-7.7 6491/1323=24...(8) H LEU 69 - QD1 LEU 42 far 14 97 15 - 5.3-8.8 H ASP 131 - QD1 LEU 42 far 14 92 15 - 5.5-8.8 H VAL 126 - QD1 LEU 42 far 0 99 0 - 6.9-11.1 H LEU 49 - QD1 LEU 42 far 0 95 0 - 7.7-10.8 H ALA 21 - QD1 LEU 42 far 0 71 0 - 8.8-25.4 H LEU 96 - QD1 LEU 42 far 0 96 0 - 9.1-12.4 H ARG 23 - QD1 LEU 42 far 0 68 0 - 9.7-22.4 Violated in 2 structures by 0.02 A. Peak 1331 from aliabs.peaks (7.49, 0.56, 24.08 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.3-4.5 6490=78, 1323/2.1=69...(11) H GLN 134 + QD2 LEU 42 OK 84 100 85 99 4.4-6.4 7946/10587=61...(18) Violated in 2 structures by 0.00 A. Peak 1332 from aliabs.peaks (3.47, 0.56, 24.08 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.0-4.1 3.9=77, 1324/2.1=61...(17) HA ILE 129 + QD2 LEU 42 OK 31 92 35 98 4.5-7.6 3.2/10486=58...(24) HA VAL 77 - QD2 LEU 42 far 13 85 15 - 4.8-7.9 HA VAL 132 - QD2 LEU 42 far 0 60 0 - 6.8-9.2 Violated in 11 structures by 0.11 A. Peak 1333 from aliabs.peaks (1.37, 0.56, 24.08 ppm; 3.39 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.0-3.1 3.1=100 HG2 LYS 36 - QD2 LEU 42 far 0 99 0 - 5.5-11.1 HB2 LEU 96 - QD2 LEU 42 far 0 99 0 - 6.8-10.9 HG LEU 96 - QD2 LEU 42 far 0 73 0 - 6.9-10.4 QB ALA 29 - QD2 LEU 42 far 0 100 0 - 7.2-14.0 QB ALA 12 - QD2 LEU 42 far 0 93 0 - 8.9-27.3 QB ALA 16 - QD2 LEU 42 far 0 87 0 - 8.9-24.8 QB ALA 21 - QD2 LEU 42 far 0 65 0 - 9.5-23.4 HG3 LYS 95 - QD2 LEU 42 far 0 96 0 - 9.6-16.3 HG2 LYS 95 - QD2 LEU 42 far 0 92 0 - 9.6-16.2 QB ALA 15 - QD2 LEU 42 far 0 99 0 - 9.7-26.6 Violated in 0 structures by 0.00 A. Peak 1334 from aliabs.peaks (1.54, 0.56, 24.08 ppm; 3.41 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-3.1 3.1=100 HG LEU 69 + QD2 LEU 42 OK 27 60 45 99 3.7-7.7 2.1/11039=61...(30) HG13 ILE 37 - QD2 LEU 42 far 0 97 0 - 5.5-9.4 HG LEU 49 - QD2 LEU 42 far 0 63 0 - 6.5-9.7 Violated in 0 structures by 0.00 A. Peak 1335 from aliabs.peaks (1.49, 0.56, 24.08 ppm; 3.25 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 69 + QD2 LEU 42 OK 21 60 35 98 3.7-7.7 2.1/11039=56...(29) HG3 LYS 36 - QD2 LEU 42 far 0 63 0 - 5.8-11.9 HG3 LYS 86 - QD2 LEU 42 far 0 97 0 - 7.1-10.0 HB2 LEU 49 - QD2 LEU 42 far 0 97 0 - 7.8-11.2 Violated in 0 structures by 0.00 A. Peak 1336 from aliabs.peaks (0.63, 0.56, 24.08 ppm; 2.64 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 129 - QD2 LEU 42 poor 18 89 20 - 3.7-6.9 Violated in 0 structures by 0.00 A. Peak 1337 from aliabs.peaks (0.56, 0.56, 24.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 Peak 1338 from aliabs.peaks (8.29, 0.56, 24.08 ppm; 3.81 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 42 OK 100 100 100 100 2.1-4.6 6504=72, 6508/9085=51...(25) H ASP 131 + QD2 LEU 42 OK 35 92 45 86 4.6-7.6 7925/11894=26...(15) H GLU 40 - QD2 LEU 42 far 15 100 15 - 4.6-7.3 H LEU 69 - QD2 LEU 42 far 0 97 0 - 6.6-8.9 H VAL 126 - QD2 LEU 42 far 0 99 0 - 7.0-10.7 H LEU 49 - QD2 LEU 42 far 0 95 0 - 7.3-10.4 H LEU 96 - QD2 LEU 42 far 0 96 0 - 8.2-12.4 Violated in 11 structures by 0.10 A. Peak 1339 from aliabs.peaks (8.29, 3.78, 57.62 ppm; 4.76 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-2.9 2.8=100 H ASP 131 + HA LEU 43 OK 53 92 75 77 5.3-6.8 1383/1345=26...(14) H GLU 40 - HA LEU 43 far 0 100 0 - 7.2-8.2 H LEU 49 - HA LEU 43 far 0 95 0 - 7.5-8.7 H LEU 69 - HA LEU 43 far 0 97 0 - 9.1-10.7 H VAL 126 - HA LEU 43 far 0 99 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1340 from aliabs.peaks (3.78, 3.78, 57.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HA LEU 43 OK 100 100 - 100 Peak 1341 from aliabs.peaks (1.70, 3.78, 57.62 ppm; 5.01 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 - HA LEU 43 far 0 71 0 - 7.3-9.9 HD3 LYS 39 - HA LEU 43 far 0 97 0 - 7.9-10.4 HG2 ARG 135 - HA LEU 43 far 0 100 0 - 9.5-11.8 HG LEU 48 - HA LEU 43 far 0 97 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 1342 from aliabs.peaks (1.28, 3.78, 57.62 ppm; 5.94 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 100 100 2.2-3.0 3.0=100 HG12 ILE 37 - HA LEU 43 far 0 95 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 1343 from aliabs.peaks (1.64, 3.78, 57.62 ppm; 4.44 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 100 100 2.9-3.6 3.7=100 HD3 LYS 36 - HA LEU 43 far 0 87 0 - 7.0-16.0 HB2 LEU 69 - HA LEU 43 far 0 99 0 - 7.1-9.3 HD2 LYS 36 - HA LEU 43 far 0 85 0 - 7.1-14.7 HD3 LYS 26 - HA LEU 43 far 0 85 0 - 9.1-27.8 HD2 LYS 26 - HA LEU 43 far 0 90 0 - 9.6-27.9 HD2 LYS 31 - HA LEU 43 far 0 96 0 - 9.7-22.4 Violated in 0 structures by 0.00 A. Peak 1344 from aliabs.peaks (0.68, 3.78, 57.62 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 100 100 3.7-4.1 4.1=87, 2.1/1345=77...(16) QD1 ILE 129 - HA LEU 43 far 0 65 0 - 6.8-8.4 Violated in 15 structures by 0.04 A. Peak 1345 from aliabs.peaks (0.74, 3.78, 57.62 ppm; 3.63 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 43 + HA LEU 43 OK 100 100 100 100 1.8-2.6 3.9=83, 2.1/1344=62...(22) QD1 ILE 37 - HA LEU 43 far 0 73 0 - 5.9-11.0 QD1 ILE 32 - HA LEU 43 far 0 73 0 - 6.2-15.0 QD1 LEU 96 - HA LEU 43 far 0 60 0 - 8.1-11.1 QD2 LEU 96 - HA LEU 43 far 0 100 0 - 8.2-12.1 HG12 ILE 129 - HA LEU 43 far 0 100 0 - 8.7-10.4 QG1 VAL 93 - HA LEU 43 far 0 99 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 1346 from aliabs.peaks (8.33, 3.78, 57.62 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + HA LEU 43 OK 100 100 100 100 3.5-3.6 3.6=100 H TYR 72 - HA LEU 43 far 0 97 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 1348 from aliabs.peaks (1.34, 3.78, 57.62 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.99: * QB ALA 46 + HA LEU 43 OK 99 100 100 99 2.1-3.3 9176/1345=63...(16) Violated in 0 structures by 0.00 A. Peak 1349 from aliabs.peaks (3.83, 1.70, 40.78 ppm; 4.98 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 40 + HB2 LEU 43 OK 100 100 100 100 3.0-6.0 9055/3.2=79, 1246/1.8=77...(26) HB2 SER 130 + HB2 LEU 43 OK 87 97 90 100 4.6-7.1 11720/3.2=79, ~10509=58...(22) HB2 SER 50 - HB2 LEU 43 far 0 99 0 - 7.7-10.9 HD2 PRO 81 - HB2 LEU 43 far 0 78 0 - 9.0-14.5 Violated in 1 structures by 0.00 A. Peak 1350 from aliabs.peaks (8.29, 1.70, 40.78 ppm; 4.73 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.1-3.6 3.9=100 H GLU 40 + HB2 LEU 43 OK 30 100 30 100 5.0-8.2 ~1246=44, ~11897=41...(22) H ASP 131 - HB2 LEU 43 far 14 92 15 - 5.9-8.7 H LEU 49 - HB2 LEU 43 far 0 95 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 1351 from aliabs.peaks (3.78, 1.70, 40.78 ppm; 4.78 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 130 + HB2 LEU 43 OK 95 100 95 100 3.5-6.8 11747/3.2=77...(39) HB3 SER 130 + HB2 LEU 43 OK 90 100 90 100 3.4-7.0 10509/3.2=78...(34) HA VAL 133 - HB2 LEU 43 far 0 98 0 - 6.3-10.4 Violated in 0 structures by 0.00 A. Peak 1352 from aliabs.peaks (1.70, 1.70, 40.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HB2 LEU 43 OK 100 100 - 100 Peak 1353 from aliabs.peaks (1.28, 1.70, 40.78 ppm; 6.65 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 37 - HB2 LEU 43 far 0 95 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 1354 from aliabs.peaks (1.64, 1.70, 40.78 ppm; 4.74 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 36 - HB2 LEU 43 far 0 87 0 - 7.0-17.8 HD3 LYS 24 - HB2 LEU 43 far 0 97 0 - 7.6-30.2 HD2 LYS 36 - HB2 LEU 43 far 0 85 0 - 7.7-16.6 HD2 LYS 24 - HB2 LEU 43 far 0 87 0 - 8.4-31.6 HD2 LYS 31 - HB2 LEU 43 far 0 96 0 - 8.6-24.3 HB2 LEU 69 - HB2 LEU 43 far 0 99 0 - 9.0-12.1 HD3 LYS 31 - HB2 LEU 43 far 0 92 0 - 9.5-22.7 HD3 LYS 26 - HB2 LEU 43 far 0 85 0 - 9.7-30.1 HD2 LYS 26 - HB2 LEU 43 far 0 90 0 - 9.9-30.2 Violated in 0 structures by 0.00 A. Peak 1355 from aliabs.peaks (0.68, 1.70, 40.78 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.0-2.6 3.2=100 QD1 ILE 129 - HB2 LEU 43 far 0 65 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 1356 from aliabs.peaks (0.74, 1.70, 40.78 ppm; 4.22 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.1-3.2 3.2=100 QD1 ILE 32 - HB2 LEU 43 far 0 73 0 - 6.1-16.8 QD1 ILE 37 - HB2 LEU 43 far 0 73 0 - 6.2-12.3 HG12 ILE 129 - HB2 LEU 43 far 0 100 0 - 9.8-12.6 QD1 LEU 96 - HB2 LEU 43 far 0 60 0 - 9.8-13.3 QD2 LEU 96 - HB2 LEU 43 far 0 100 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 1357 from aliabs.peaks (8.33, 1.70, 40.78 ppm; 6.45 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 44 + HB2 LEU 43 OK 100 100 100 100 2.6-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 1358 from aliabs.peaks (3.83, 1.28, 40.78 ppm; 5.32 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 40 + HB3 LEU 43 OK 100 100 100 100 3.2-4.8 1246=100, 9055/3.2=86...(24) HB2 SER 130 + HB3 LEU 43 OK 92 97 95 100 4.7-7.2 11720/3.2=85, ~10509=65...(19) HB2 SER 50 - HB3 LEU 43 far 0 99 0 - 7.7-12.0 HD2 PRO 81 - HB3 LEU 43 far 0 78 0 - 9.0-14.9 HB2 SER 9 - HB3 LEU 43 far 0 87 0 - 9.9-50.5 Violated in 0 structures by 0.00 A. Peak 1359 from aliabs.peaks (8.29, 1.28, 40.78 ppm; 5.22 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.3-3.6 3.9=100 H GLU 40 + HB3 LEU 43 OK 65 100 65 100 5.9-7.3 2.8/1246=72, ~11897=51...(16) H ASP 131 - HB3 LEU 43 far 9 92 10 - 5.3-9.3 H LEU 49 - HB3 LEU 43 far 0 95 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 1360 from aliabs.peaks (3.78, 1.28, 40.78 ppm; 4.83 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 130 + HB3 LEU 43 OK 90 100 90 100 3.2-7.0 10509/3.2=79, ~11720=56...(28) HA SER 130 + HB3 LEU 43 OK 80 100 80 100 4.1-6.7 11747/3.2=78, ~11720=40...(33) HA VAL 133 - HB3 LEU 43 far 0 98 0 - 7.0-10.6 Violated in 0 structures by 0.00 A. Peak 1361 from aliabs.peaks (1.70, 1.28, 40.78 ppm; 4.62 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 39 - HB3 LEU 43 far 4 71 5 - 6.0-8.8 HD3 LYS 39 - HB3 LEU 43 far 0 97 0 - 6.8-9.6 HG2 ARG 135 - HB3 LEU 43 far 0 100 0 - 7.7-12.3 HG LEU 48 - HB3 LEU 43 far 0 97 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1362 from aliabs.peaks (1.28, 1.28, 40.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB3 LEU 43 OK 100 100 - 100 Peak 1363 from aliabs.peaks (1.64, 1.28, 40.78 ppm; 5.50 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 36 - HB3 LEU 43 far 0 87 0 - 7.6-16.9 HD3 LYS 24 - HB3 LEU 43 far 0 97 0 - 7.8-30.3 HD3 LYS 26 - HB3 LEU 43 far 0 85 0 - 8.3-30.2 HD2 LYS 36 - HB3 LEU 43 far 0 85 0 - 8.3-15.8 HD2 LYS 26 - HB3 LEU 43 far 0 90 0 - 8.3-30.3 HD2 LYS 24 - HB3 LEU 43 far 0 87 0 - 8.4-31.7 HD2 LYS 31 - HB3 LEU 43 far 0 96 0 - 9.1-24.2 HB2 LEU 69 - HB3 LEU 43 far 0 99 0 - 9.3-11.5 HD2 LYS 19 - HB3 LEU 43 far 0 99 0 - 9.6-40.5 Violated in 0 structures by 0.00 A. Peak 1364 from aliabs.peaks (0.68, 1.28, 40.78 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.0-2.6 3.2=100 QD1 ILE 129 - HB3 LEU 43 far 0 65 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 1365 from aliabs.peaks (0.74, 1.28, 40.78 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.2-3.2 3.2=100 QD1 ILE 37 - HB3 LEU 43 far 0 73 0 - 6.6-11.9 QD1 ILE 32 - HB3 LEU 43 far 0 73 0 - 6.8-16.3 Violated in 0 structures by 0.00 A. Peak 1366 from aliabs.peaks (8.33, 1.28, 40.78 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 44 + HB3 LEU 43 OK 100 100 100 100 2.3-4.3 4.6=100 Violated in 0 structures by 0.00 A. Peak 1368 from aliabs.peaks (3.78, 1.64, 27.00 ppm; 5.46 A): 4 out of 6 assignments used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 100 100 2.9-3.6 3.7=100 HA SER 130 + HG LEU 43 OK 100 100 100 100 3.9-6.1 11747/2.1=98, ~11720=66...(33) HB3 SER 130 + HG LEU 43 OK 80 100 80 100 3.5-7.8 10509/2.1=99, ~11720=83...(31) HA VAL 133 + HG LEU 43 OK 29 98 30 100 6.1-8.4 3.2/10572=91, ~11679=74...(24) HA VAL 133 - HG2 ARG 84 far 0 82 0 - 7.0-11.7 HA VAL 133 - HG3 ARG 84 far 0 85 0 - 7.0-11.2 Violated in 0 structures by 0.00 A. Peak 1369 from aliabs.peaks (1.70, 1.64, 27.00 ppm; 4.74 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 + HG LEU 43 OK 53 71 75 99 4.1-7.0 ~11901=54, ~9120=30...(27) HD3 LYS 39 + HG LEU 43 OK 48 97 50 99 4.7-7.6 ~11901=54, ~9120=30...(26) HG2 ARG 135 - HG2 ARG 84 far 4 86 5 - 6.0-11.8 HG2 ARG 135 - HG3 ARG 84 lone 2 89 25 7 5.0-10.3 9800/11862=4 HG2 ARG 135 - HG LEU 43 far 0 100 0 - 7.1-12.0 Violated in 0 structures by 0.00 A. Peak 1370 from aliabs.peaks (1.28, 1.64, 27.00 ppm; 6.68 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 100 100 2.4-3.0 3.0=100 HG12 ILE 37 - HG LEU 43 far 5 95 5 - 7.9-13.2 Violated in 0 structures by 0.00 A. Peak 1371 from aliabs.peaks (1.64, 1.64, 27.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 43 + HG LEU 43 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 89 89 - 100 HG2 ARG 84 + HG2 ARG 84 OK 84 84 - 100 Peak 1372 from aliabs.peaks (0.68, 1.64, 27.00 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 129 - HG LEU 43 far 0 65 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 1373 from aliabs.peaks (0.74, 1.64, 27.00 ppm; 4.30 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 37 - HG LEU 43 far 7 73 10 - 5.7-11.1 QD1 ILE 32 - HG LEU 43 far 0 73 0 - 7.3-16.0 QD2 LEU 96 - HG LEU 43 far 0 100 0 - 9.2-13.7 QD1 LEU 96 - HG LEU 43 far 0 60 0 - 9.9-12.8 QD2 LEU 43 - HG3 ARG 84 far 0 89 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1375 from aliabs.peaks (8.29, 0.68, 25.73 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.2-4.2 6509=100, 6508/2.1=81...(28) H GLU 40 + QD1 LEU 43 OK 95 100 95 100 3.5-5.8 2.8/11896=60, ~11897=41...(30) H ASP 131 - QD1 LEU 43 far 0 92 0 - 5.6-7.6 H LEU 49 - QD1 LEU 43 far 0 95 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 1376 from aliabs.peaks (3.78, 0.68, 25.73 ppm; 3.75 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.7-4.1 1344=88, 1345/2.1=72...(16) HA SER 130 + QD1 LEU 43 OK 60 100 60 100 4.5-5.5 11747/2.1=64...(34) HB3 SER 130 + QD1 LEU 43 OK 30 100 30 100 4.3-6.7 10509/2.1=66, ~11720=45...(31) HA VAL 133 - QD1 LEU 43 far 10 98 10 - 4.8-7.2 HB3 SER 9 - QD1 LEU 43 far 0 76 0 - 9.4-43.8 Violated in 9 structures by 0.03 A. Peak 1377 from aliabs.peaks (1.70, 0.68, 25.73 ppm; 3.56 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.0-2.6 3.2=100 HD3 LYS 39 + QD1 LEU 43 OK 62 97 65 97 3.7-6.5 3.0/11901=55...(26) HD2 LYS 39 + QD1 LEU 43 OK 59 71 85 98 2.7-5.5 3.0/11901=55...(29) HG2 ARG 135 - QD1 LEU 43 far 0 100 0 - 6.0-8.7 Violated in 0 structures by 0.00 A. Peak 1378 from aliabs.peaks (1.28, 0.68, 25.73 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.0-2.6 3.2=100 HG12 ILE 37 - QD1 LEU 43 far 0 95 0 - 8.2-12.4 Violated in 0 structures by 0.00 A. Peak 1379 from aliabs.peaks (1.64, 0.68, 25.73 ppm; 3.42 A): 1 out of 10 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 24 - QD1 LEU 43 far 0 97 0 - 7.1-26.4 HD3 LYS 36 - QD1 LEU 43 far 0 87 0 - 7.5-14.9 HD2 LYS 24 - QD1 LEU 43 far 0 87 0 - 8.0-27.3 HD2 LYS 36 - QD1 LEU 43 far 0 85 0 - 8.0-14.2 HD2 LYS 26 - QD1 LEU 43 far 0 90 0 - 8.7-25.9 HD3 LYS 26 - QD1 LEU 43 far 0 85 0 - 8.8-26.3 HD2 LYS 31 - QD1 LEU 43 far 0 96 0 - 9.2-20.8 QB ALA 88 - QD1 LEU 43 far 0 83 0 - 9.2-11.0 HB2 LEU 69 - QD1 LEU 43 far 0 99 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 1380 from aliabs.peaks (0.68, 0.68, 25.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + QD1 LEU 43 OK 100 100 - 100 Peak 1381 from aliabs.peaks (0.74, 0.68, 25.73 ppm; 2.88 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 37 - QD1 LEU 43 far 0 73 0 - 6.3-10.6 QD1 ILE 32 - QD1 LEU 43 far 0 73 0 - 7.0-14.9 QD1 LEU 96 - QD1 LEU 43 far 0 60 0 - 9.2-12.0 QD2 LEU 96 - QD1 LEU 43 far 0 100 0 - 9.3-12.6 HG12 ILE 129 - QD1 LEU 43 far 0 100 0 - 9.6-10.8 QG1 VAL 93 - QD1 LEU 43 far 0 99 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 1382 from aliabs.peaks (8.33, 0.68, 25.73 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 44 + QD1 LEU 43 OK 100 100 100 100 3.9-4.8 6523=100, 6522/2.1=100...(18) Violated in 0 structures by 0.00 A. Peak 1383 from aliabs.peaks (8.29, 0.74, 22.24 ppm; 3.76 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 43 OK 100 100 100 100 1.9-3.9 6510=86, 6508/2.1=71...(30) H ASP 131 + QD2 LEU 43 OK 80 92 90 96 3.5-6.1 3.6/11747=47...(15) H GLU 40 + QD2 LEU 43 OK 45 100 45 99 4.2-7.3 2.8/11897=61, ~9055=31...(30) H LEU 49 - QD2 LEU 43 far 0 95 0 - 7.6-9.8 H VAL 126 - QD2 LEU 43 far 0 99 0 - 8.8-10.6 H LEU 69 - QD2 LEU 43 far 0 97 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 1384 from aliabs.peaks (3.78, 0.74, 22.24 ppm; 2.82 A): 4 out of 5 assignments used, quality = 1.00: HA SER 130 + QD2 LEU 43 OK 96 100 100 96 2.1-3.6 11747=36, 3.0/11720=28...(31) * HA LEU 43 + QD2 LEU 43 OK 96 100 100 96 1.8-2.6 1345=47, 1344/2.1=35...(20) HB3 SER 130 + QD2 LEU 43 OK 70 100 75 94 1.7-5.4 1.8/11720=37, 10509=36...(30) HA VAL 133 + QD2 LEU 43 OK 23 98 25 95 3.9-6.9 3.2/11777=37...(20) HA ARG 90 - QD2 LEU 43 far 0 78 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 1385 from aliabs.peaks (1.70, 0.74, 22.24 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-3.2 3.2=100 HD3 LYS 39 + QD2 LEU 43 OK 28 97 30 97 3.9-7.9 ~11901=31, 3.0/11073=25...(30) HD2 LYS 39 - QD2 LEU 43 poor 18 71 25 - 4.4-7.3 HG2 ARG 135 - QD2 LEU 43 far 0 100 0 - 6.3-8.5 HG LEU 48 - QD2 LEU 43 far 0 97 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 1386 from aliabs.peaks (1.28, 0.74, 22.24 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.2-3.2 3.2=100 HG12 ILE 37 - QD2 LEU 43 far 0 95 0 - 7.5-12.1 Violated in 0 structures by 0.00 A. Peak 1387 from aliabs.peaks (1.64, 0.74, 22.24 ppm; 3.39 A): 1 out of 12 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 36 - QD2 LEU 43 far 0 87 0 - 6.2-14.8 HD2 LYS 36 - QD2 LEU 43 far 0 85 0 - 6.2-13.3 HB2 LEU 69 - QD2 LEU 43 far 0 99 0 - 7.2-9.5 QB ALA 88 - QD2 LEU 43 far 0 83 0 - 8.0-9.6 HD3 LYS 24 - QD2 LEU 43 far 0 97 0 - 9.0-25.9 HD3 LYS 26 - QD2 LEU 43 far 0 85 0 - 9.1-25.3 HD2 LYS 26 - QD2 LEU 43 far 0 90 0 - 9.5-24.0 HD2 LYS 24 - QD2 LEU 43 far 0 87 0 - 9.6-26.4 HB2 LEU 123 - QD2 LEU 43 far 0 99 0 - 9.7-14.6 HD2 LYS 31 - QD2 LEU 43 far 0 96 0 - 9.8-19.8 HG3 ARG 84 - QD2 LEU 43 far 0 100 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1388 from aliabs.peaks (0.68, 0.74, 22.24 ppm; 2.79 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 43 + QD2 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 129 - QD2 LEU 43 far 0 65 0 - 6.2-7.4 QD2 LEU 62 - QD2 LEU 43 far 0 100 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 1389 from aliabs.peaks (0.74, 0.74, 22.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 Peak 1390 from aliabs.peaks (8.33, 0.74, 22.24 ppm; 6.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 44 + QD2 LEU 43 OK 100 100 100 100 4.1-4.9 6522/2.1=100...(19) H TYR 72 - QD2 LEU 43 far 0 97 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 1391 from aliabs.peaks (8.33, 4.04, 58.87 ppm; 5.02 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA GLU 44 OK 100 100 100 100 2.8-2.9 2.8=100 H ALA 110 - HA LEU 122 far 0 47 0 - 8.7-19.7 H TYR 72 - HA LEU 122 far 0 54 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 1392 from aliabs.peaks (4.04, 4.04, 58.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 44 + HA GLU 44 OK 100 100 - 100 HA LEU 96 + HA LEU 96 OK 64 64 - 100 HA LEU 122 + HA LEU 122 OK 60 60 - 100 Peak 1393 from aliabs.peaks (2.02, 4.04, 58.87 ppm; 3.91 A): 1 out of 16 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 GLU 40 - HA GLU 44 far 0 100 0 - 6.3-9.9 HB ILE 129 - HA LEU 96 far 0 50 0 - 6.9-9.4 HB2 GLN 127 - HA LEU 122 far 0 35 0 - 7.4-9.7 HB ILE 129 - HA LEU 122 far 0 41 0 - 7.7-9.7 HB2 GLN 127 - HA LEU 96 far 0 43 0 - 7.8-11.6 HB3 PRO 117 - HA LEU 122 far 0 47 0 - 8.1-10.8 HB3 PRO 117 - HA LEU 96 far 0 57 0 - 8.4-12.8 HG2 PRO 117 - HA LEU 122 far 0 30 0 - 8.5-11.3 HG2 PRO 117 - HA LEU 96 far 0 37 0 - 8.6-14.3 HB2 GLN 134 - HA GLU 44 far 0 100 0 - 8.7-12.1 HG3 PRO 117 - HA LEU 122 far 0 30 0 - 8.8-11.7 HB3 GLU 91 - HA LEU 96 far 0 67 0 - 9.2-11.5 HG3 PRO 117 - HA LEU 96 far 0 37 0 - 9.3-13.4 HB2 GLN 127 - HA GLU 44 far 0 71 0 - 9.5-12.9 HB2 GLU 91 - HA LEU 96 far 0 35 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1394 from aliabs.peaks (2.07, 4.04, 58.87 ppm; 3.90 A): 1 out of 22 assignments used, quality = 1.00: * HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLN 27 - HA GLU 44 far 10 98 10 - 2.0-26.5 HB VAL 118 - HA LEU 122 far 0 57 0 - 6.3-8.2 HB VAL 118 - HA LEU 96 far 0 68 0 - 6.6-9.3 HB2 GLU 128 - HA LEU 96 far 0 68 0 - 7.0-11.2 HB2 GLN 127 - HA LEU 122 far 0 37 0 - 7.4-9.7 HB2 GLU 128 - HA LEU 122 far 0 57 0 - 7.5-10.1 HG3 GLN 134 - HA GLU 44 far 0 100 0 - 7.5-10.7 HB2 GLN 127 - HA LEU 96 far 0 45 0 - 7.8-11.6 HB2 GLU 102 - HA LEU 96 far 0 67 0 - 7.9-11.8 HB3 GLN 27 - HA LEU 96 far 0 67 0 - 8.5-24.2 HG2 PRO 117 - HA LEU 122 far 0 41 0 - 8.5-11.3 HG2 PRO 117 - HA LEU 96 far 0 50 0 - 8.6-14.3 HG3 PRO 117 - HA LEU 122 far 0 41 0 - 8.8-11.7 HG3 GLU 91 - HA LEU 96 far 0 53 0 - 8.8-12.2 HB2 GLU 102 - HA LEU 122 far 0 56 0 - 8.9-11.8 HG3 GLU 91 - HA LEU 122 far 0 44 0 - 9.0-14.5 HB2 LEU 62 - HA LEU 122 far 0 50 0 - 9.1-13.0 HG3 PRO 117 - HA LEU 96 far 0 50 0 - 9.3-13.4 HB2 GLN 127 - HA GLU 44 far 0 73 0 - 9.5-12.9 HB3 GLN 27 - HA LEU 122 far 0 56 0 - 10.0-24.1 HB3 LYS 39 - HA GLU 44 far 0 99 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 1395 from aliabs.peaks (2.31, 4.04, 58.87 ppm; 4.04 A): 1 out of 18 assignments used, quality = 1.00: * HG2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.0-3.7 3.7=100 HG2 GLU 40 - HA GLU 44 far 3 68 5 - 5.4-9.6 HG2 GLN 27 - HA GLU 44 far 3 63 5 - 4.0-26.3 HG3 GLN 27 - HA GLU 44 far 3 57 5 - 3.2-25.3 HG2 GLN 127 - HA LEU 122 far 0 32 0 - 6.4-7.7 HG2 GLU 128 - HA LEU 96 far 0 43 0 - 6.4-11.6 HB3 GLN 101 - HA LEU 96 far 0 60 0 - 6.7-9.4 HG2 GLN 127 - HA LEU 96 far 0 39 0 - 7.1-9.7 HG2 GLU 128 - HA LEU 122 far 0 35 0 - 7.5-11.1 HB3 GLN 134 - HA GLU 44 far 0 95 0 - 7.7-10.5 HG2 GLN 27 - HA LEU 96 far 0 37 0 - 7.8-25.0 HB3 GLN 101 - HA LEU 122 far 0 50 0 - 7.8-10.6 HG3 GLU 30 - HA GLU 44 far 0 99 0 - 8.5-24.3 HG2 GLU 102 - HA LEU 96 far 0 64 0 - 8.6-12.0 HG3 GLN 68 - HA GLU 44 far 0 100 0 - 8.8-12.8 HG2 GLN 27 - HA LEU 122 far 0 30 0 - 9.0-25.1 HG2 GLU 102 - HA LEU 122 far 0 53 0 - 9.1-11.9 HG3 GLN 27 - HA LEU 96 far 0 34 0 - 9.6-23.5 Violated in 0 structures by 0.00 A. Peak 1396 from aliabs.peaks (2.48, 4.04, 58.87 ppm; 3.97 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.5-3.9 3.7=100 HG3 GLN 127 - HA LEU 122 far 0 59 0 - 6.8-9.3 HG3 GLN 127 - HA LEU 96 far 0 70 0 - 7.4-11.1 HG3 GLN 104 - HA LEU 122 far 0 54 0 - 8.4-15.1 HG3 GLU 102 - HA LEU 96 far 0 46 0 - 8.6-12.0 HG3 GLU 102 - HA LEU 122 far 0 38 0 - 8.6-12.4 HG3 GLN 104 - HA LEU 96 far 0 65 0 - 8.7-14.8 HG3 GLN 127 - HA GLU 44 far 0 100 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 1398 from aliabs.peaks (8.46, 4.04, 58.87 ppm; 6.20 A): 4 out of 7 assignments used, quality = 1.00: * H ASP 47 + HA GLU 44 OK 100 100 100 100 3.2-3.9 6563=100, 6571/1400=97...(12) H VAL 93 + HA LEU 96 OK 50 50 100 100 6.5-7.5 ~7311=68, ~3065=54...(20) H LEU 100 + HA LEU 96 OK 32 34 100 96 3.0-5.0 4.5/3214=36, 4.5/3208=34...(26) H LEU 100 + HA LEU 122 OK 27 27 100 99 3.9-5.2 4.5/3214=41, 4.5/3208=36...(31) H LEU 70 - HA LEU 96 poor 17 68 25 - 7.2-8.8 H LEU 70 - HA LEU 122 far 6 57 10 - 6.0-10.1 H VAL 93 - HA LEU 122 far 2 41 5 - 7.3-10.2 Violated in 0 structures by 0.00 A. Peak 1399 from aliabs.peaks (2.72, 4.04, 58.87 ppm; 4.24 A): 3 out of 6 assignments used, quality = 1.00: * HB2 ASP 47 + HA GLU 44 OK 100 100 100 100 2.8-3.9 1471=100, 1.8/1400=87...(8) HB2 CYS 125 + HA LEU 96 OK 60 61 100 99 1.9-4.2 1.8/3994=31, 3988=31...(30) HB2 CYS 125 + HA LEU 122 OK 49 51 100 96 2.2-4.7 11653/3.0=39...(24) HB2 CYS 73 - HA LEU 96 far 0 48 0 - 7.5-9.4 HB2 CYS 73 - HA LEU 122 far 0 40 0 - 8.2-11.6 HB3 ASP 35 - HA GLU 44 far 0 97 0 - 8.8-17.7 Violated in 0 structures by 0.00 A. Peak 1400 from aliabs.peaks (2.83, 4.04, 58.87 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HA GLU 44 OK 100 100 100 100 2.3-3.3 1477=93, 1.8/1471=71...(8) HB3 ASP 131 - HA GLU 44 far 0 65 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 1401 from aliabs.peaks (3.91, 2.02, 28.31 ppm; 3.80 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 41 + HB2 GLU 44 OK 100 100 100 100 2.2-4.1 1409/1.8=77, 1280=67...(18) HA ALA 41 - HB3 GLU 40 poor 20 99 20 - 4.0-5.6 HA LYS 86 - HG2 ARG 90 poor 20 36 55 - 3.6-6.8 HB2 SER 94 - HG2 ARG 90 far 8 55 15 - 4.4-8.0 HA ALA 46 - HB2 GLU 44 far 0 78 0 - 7.3-8.5 HB2 SER 33 - HB3 GLU 40 far 0 97 0 - 9.2-17.3 HB2 SER 33 - HB2 GLU 44 far 0 99 0 - 9.3-17.7 Violated in 1 structures by 0.01 A. Peak 1402 from aliabs.peaks (8.33, 2.02, 28.31 ppm; 4.77 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.1-3.4 3.9=100 H GLU 44 + HB3 GLU 40 OK 36 99 40 90 5.2-7.5 6514/3.0=73...(8) H ALA 21 - HB3 GLU 40 far 0 79 0 - 7.7-36.6 H ALA 21 - HB2 GLU 44 far 0 83 0 - 9.8-32.1 Violated in 0 structures by 0.00 A. Peak 1403 from aliabs.peaks (4.04, 2.02, 28.31 ppm; 3.58 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.7-3.0 3.0=100 HA ILE 37 - HB2 GLU 44 far 0 81 0 - 6.0-9.2 HA ILE 37 - HB3 GLU 40 far 0 77 0 - 6.0-10.4 HA GLU 44 - HB3 GLU 40 far 0 99 0 - 6.3-9.9 HA ALA 92 - HG2 ARG 90 far 0 58 0 - 7.3-9.1 HD3 PRO 81 - HB3 GLU 40 far 0 98 0 - 8.3-14.5 HD3 PRO 81 - HG2 ARG 90 far 0 65 0 - 8.7-13.9 HB2 SER 74 - HG2 ARG 90 far 0 56 0 - 8.7-10.9 HA LYS 95 - HG2 ARG 90 far 0 52 0 - 9.4-12.4 HB3 SER 74 - HG2 ARG 90 far 0 51 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1404 from aliabs.peaks (2.02, 2.02, 28.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HB3 GLU 40 + HB3 GLU 40 OK 98 98 - 100 HG2 ARG 90 + HG2 ARG 90 OK 66 66 - 100 Peak 1405 from aliabs.peaks (2.07, 2.02, 28.31 ppm; 2.70 A): 1 out of 13 assignments used, quality = 1.00: * HB3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB2 GLU 44 far 5 98 5 - 1.9-25.1 HG3 GLU 91 - HG2 ARG 90 far 5 49 10 - 3.9-7.9 HB3 LYS 39 - HB3 GLU 40 far 0 97 0 - 4.5-7.0 HB3 GLU 44 - HB3 GLU 40 far 0 99 0 - 5.4-8.5 HG3 GLN 134 - HB3 GLU 40 far 0 98 0 - 7.1-14.1 HB3 GLN 27 - HB3 GLU 40 far 0 95 0 - 7.3-28.5 HG3 PRO 81 - HB3 GLU 40 far 0 72 0 - 7.7-16.9 HG3 GLN 134 - HB2 GLU 44 far 0 100 0 - 8.2-12.0 HB2 PRO 81 - HB3 GLU 40 far 0 82 0 - 8.3-16.7 HB3 LYS 39 - HB2 GLU 44 far 0 99 0 - 9.0-11.8 HG3 PRO 81 - HG2 ARG 90 far 0 43 0 - 9.2-14.1 HB2 GLU 128 - HG2 ARG 90 far 0 63 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1406 from aliabs.peaks (2.31, 2.02, 28.31 ppm; 3.80 A): 2 out of 15 assignments used, quality = 1.00: * HG2 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 40 + HB3 GLU 40 OK 65 65 100 100 2.2-3.0 3.0=100 HG2 GLU 40 - HB2 GLU 44 poor 17 68 25 - 4.3-8.6 HG2 GLU 44 - HB3 GLU 40 far 5 99 5 - 4.2-9.8 HG2 GLN 27 - HB2 GLU 44 far 3 63 5 - 4.5-24.7 HG3 GLN 27 - HB2 GLU 44 far 3 57 5 - 4.1-24.4 HB VAL 77 - HG2 ARG 90 far 2 41 5 - 5.2-7.1 HB3 GLN 134 - HB3 GLU 40 far 0 91 0 - 6.2-11.5 HG3 GLN 27 - HB3 GLU 40 far 0 54 0 - 7.3-27.3 HG3 GLN 68 - HB2 GLU 44 far 0 100 0 - 7.7-11.8 HG3 GLU 30 - HB2 GLU 44 far 0 99 0 - 7.9-23.5 HG2 GLN 27 - HB3 GLU 40 far 0 60 0 - 7.9-28.0 HB3 GLN 134 - HB2 GLU 44 far 0 95 0 - 8.6-10.9 HG3 GLU 30 - HG2 ARG 90 far 0 63 0 - 8.6-30.7 HG2 GLU 128 - HG2 ARG 90 far 0 39 0 - 8.8-15.1 Violated in 0 structures by 0.00 A. Peak 1407 from aliabs.peaks (2.48, 2.02, 28.31 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 GLU 44 - HB3 GLU 40 far 10 99 10 - 4.3-9.1 HB2 ASP 78 - HG2 ARG 90 far 0 61 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 1409 from aliabs.peaks (3.91, 2.07, 28.31 ppm; 3.70 A): 1 out of 14 assignments used, quality = 1.00: * HA ALA 41 + HB3 GLU 44 OK 100 100 100 100 2.6-4.2 1281=75, 1401/1.8=71...(22) HB2 SER 107 - HB2 GLU 102 poor 16 65 25 - 4.7-14.7 HA LYS 86 - HB3 GLN 82 far 0 38 0 - 6.5-8.5 HA2 GLY 2 - HB3 GLN 82 far 0 54 0 - 6.8-79.8 HA2 GLY 111 - HB2 GLU 102 far 0 53 0 - 6.8-19.2 HA ALA 46 - HB3 GLU 44 far 0 78 0 - 7.2-8.7 HA3 GLY 2 - HB2 GLU 128 far 0 59 0 - 7.6-77.0 HA2 GLY 2 - HB2 GLU 128 far 0 58 0 - 8.3-76.6 HA3 GLY 2 - HB3 GLN 82 far 0 55 0 - 8.5-80.5 HD3 PRO 113 - HB2 GLU 102 far 0 45 0 - 9.0-20.4 HA ALA 46 - HB2 GLU 128 far 0 51 0 - 9.3-11.4 HA LYS 86 - HB2 GLU 128 far 0 41 0 - 9.5-12.8 HB2 SER 33 - HB3 GLU 44 far 0 99 0 - 9.7-18.5 HB2 SER 51 - HB3 GLU 44 far 0 63 0 - 9.7-13.2 Violated in 15 structures by 0.14 A. Peak 1410 from aliabs.peaks (8.33, 2.07, 28.31 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.1-3.6 3.9=100 H ALA 110 - HB2 GLU 102 far 0 53 0 - 7.3-17.6 H ALA 21 - HB2 GLU 102 far 0 48 0 - 7.6-42.8 Violated in 0 structures by 0.00 A. Peak 1411 from aliabs.peaks (4.04, 2.07, 28.31 ppm; 3.54 A): 3 out of 16 assignments used, quality = 1.00: * HA GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HA GLU 102 + HB2 GLU 102 OK 64 64 100 100 2.3-3.0 3.0=100 HA LEU 103 + HB2 GLU 102 OK 27 36 85 90 4.2-5.5 3.0/7468=34, ~7469=30...(22) HA ALA 92 - HB2 GLU 128 far 7 65 10 - 4.1-6.9 HA ARG 135 - HB3 GLN 82 far 0 43 0 - 5.4-13.2 HB3 SER 124 - HB2 GLU 128 far 0 37 0 - 5.7-8.6 HA ILE 37 - HB3 GLU 44 far 0 81 0 - 5.7-10.6 HD3 PRO 81 - HB3 GLN 82 far 0 68 0 - 6.2-8.3 HA LEU 96 - HB2 GLU 128 far 0 67 0 - 7.0-11.2 HA LEU 122 - HB2 GLU 128 far 0 74 0 - 7.5-10.1 HA LEU 96 - HB2 GLU 102 far 0 59 0 - 7.9-11.8 HA LYS 95 - HB2 GLU 102 far 0 53 0 - 8.2-10.7 HA LYS 95 - HB2 GLU 128 far 0 59 0 - 8.6-12.0 HA LEU 122 - HB2 GLU 102 far 0 66 0 - 8.9-11.8 HA LEU 119 - HB2 GLU 102 far 0 54 0 - 9.3-13.7 HB THR 65 - HB3 GLU 44 far 0 76 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 1412 from aliabs.peaks (2.02, 2.07, 28.31 ppm; 2.72 A): 1 out of 21 assignments used, quality = 1.00: * HB2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 81 - HB3 GLN 82 far 6 55 10 - 3.3-6.7 HB2 PRO 81 - HB3 GLN 82 far 1 29 5 - 3.5-6.9 HB2 GLN 127 - HB2 GLU 128 far 0 45 0 - 4.7-6.4 HG3 PRO 81 - HB3 GLN 82 far 0 40 0 - 4.8-7.3 HB VAL 20 - HB2 GLU 102 far 0 43 0 - 4.8-42.2 HB ILE 129 - HB2 GLU 128 far 0 53 0 - 5.0-6.7 HG3 ARG 135 - HB3 GLN 82 far 0 65 0 - 5.3-11.8 HB3 GLU 40 - HB3 GLU 44 far 0 100 0 - 5.4-8.5 HG2 PRO 117 - HB2 GLU 102 far 0 34 0 - 6.1-13.1 HB2 GLU 91 - HB2 GLU 128 far 0 37 0 - 6.2-10.0 HB3 GLU 91 - HB2 GLU 128 far 0 70 0 - 6.4-11.3 HG3 PRO 117 - HB2 GLU 102 far 0 34 0 - 7.1-14.7 QE MET 11 - HB2 GLU 102 far 0 65 0 - 7.5-46.1 HG3 ARG 135 - HB2 GLU 128 far 0 70 0 - 8.3-11.3 HB3 GLU 30 - HB3 GLU 44 far 0 95 0 - 8.6-24.0 HB2 GLN 134 - HB3 GLN 82 far 0 69 0 - 8.9-16.0 HB3 PRO 117 - HB2 GLU 102 far 0 53 0 - 8.9-14.6 HB VAL 20 - HB3 GLU 44 far 0 76 0 - 9.7-29.8 HG2 ARG 90 - HB2 GLU 128 far 0 74 0 - 9.7-12.8 HB2 GLN 134 - HB3 GLU 44 far 0 100 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 1413 from aliabs.peaks (2.07, 2.07, 28.31 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 HB2 GLU 128 + HB2 GLU 128 OK 71 71 - 100 HB2 GLU 102 + HB2 GLU 102 OK 62 62 - 100 HB3 GLN 82 + HB3 GLN 82 OK 55 55 - 100 Peak 1414 from aliabs.peaks (2.31, 2.07, 28.31 ppm; 3.40 A): 3 out of 14 assignments used, quality = 1.00: * HG2 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 59 59 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 45 45 100 100 2.4-3.0 3.0=100 HG2 GLU 40 - HB3 GLU 44 far 3 68 5 - 4.2-8.9 HG2 GLN 27 - HB3 GLU 44 far 3 63 5 - 4.7-24.4 HG3 GLN 27 - HB3 GLU 44 far 3 57 5 - 4.6-24.3 HB3 GLN 101 - HB2 GLU 102 far 0 55 0 - 5.5-7.1 HG2 GLN 127 - HB2 GLU 128 far 0 41 0 - 6.0-7.8 HG3 GLU 30 - HB3 GLU 44 far 0 99 0 - 6.5-24.0 HG2 GLN 27 - HB2 GLU 102 far 0 34 0 - 6.6-30.3 HG3 GLN 27 - HB2 GLU 102 far 0 31 0 - 6.7-28.8 HG3 GLN 68 - HB3 GLU 44 far 0 100 0 - 7.3-13.0 HB3 GLN 134 - HB3 GLU 44 far 0 95 0 - 8.6-12.2 HB3 GLN 134 - HB3 GLN 82 far 0 61 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 1415 from aliabs.peaks (2.48, 2.07, 28.31 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 102 + HB2 GLU 102 OK 43 43 100 100 2.2-3.0 3.0=100 HG3 GLN 127 - HB2 GLU 128 far 11 73 15 - 4.7-8.2 HG3 GLN 104 - HB2 GLU 102 far 0 60 0 - 5.5-9.5 Violated in 0 structures by 0.00 A. Peak 1417 from aliabs.peaks (8.33, 2.31, 34.64 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 44 OK 100 100 100 100 3.3-4.4 6528=100, 1424/1.8=96...(16) H ALA 110 - HG2 GLU 102 far 0 71 0 - 8.0-19.2 H ALA 21 - HG2 GLU 44 far 0 83 0 - 8.4-33.7 H ALA 21 - HG2 GLU 102 far 0 66 0 - 8.9-41.5 Violated in 0 structures by 0.00 A. Peak 1418 from aliabs.peaks (4.04, 2.31, 34.64 ppm; 3.63 A): 2 out of 9 assignments used, quality = 1.00: * HA GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.0-3.7 3.7=95, 1425/1.8=73...(13) HA GLU 102 + HG2 GLU 102 OK 84 84 100 99 2.1-3.5 3.7=92, 2.9/7457=50...(10) HA LEU 103 - HG2 GLU 102 far 8 50 15 - 3.2-6.7 HA ILE 37 - HG2 GLU 44 far 0 81 0 - 6.7-12.1 HA LYS 95 - HG2 GLU 102 far 0 71 0 - 7.3-11.0 HB THR 65 - HG2 GLU 44 far 0 76 0 - 7.7-14.8 HA LEU 96 - HG2 GLU 102 far 0 79 0 - 8.6-12.0 HA LEU 119 - HG2 GLU 102 far 0 73 0 - 9.0-14.7 HA LEU 122 - HG2 GLU 102 far 0 87 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. Peak 1419 from aliabs.peaks (2.02, 2.31, 34.64 ppm; 3.71 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 40 - HG2 GLU 44 far 5 100 5 - 4.2-9.8 HB VAL 20 - HG2 GLU 102 far 0 59 0 - 6.7-40.8 HG2 PRO 117 - HG2 GLU 102 far 0 48 0 - 7.5-12.7 HG3 PRO 117 - HG2 GLU 102 far 0 48 0 - 8.0-14.2 HB VAL 20 - HG2 GLU 44 far 0 76 0 - 8.6-31.7 QE MET 11 - HG2 GLU 102 far 0 86 0 - 9.0-44.9 HB2 GLN 134 - HG2 GLU 44 far 0 100 0 - 9.2-13.5 HB3 PRO 117 - HG2 GLU 102 far 0 71 0 - 9.5-14.1 HB3 GLU 30 - HG2 GLU 44 far 0 95 0 - 9.8-25.8 Violated in 0 structures by 0.00 A. Peak 1420 from aliabs.peaks (2.07, 2.31, 34.64 ppm; 3.50 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 102 + HG2 GLU 102 OK 83 83 100 100 2.2-3.0 3.0=100 HB3 GLN 27 - HG2 GLU 44 far 10 98 10 - 3.9-27.4 HB3 GLN 27 - HG2 GLU 102 far 4 83 5 - 4.3-30.3 HB VAL 118 - HG2 GLU 102 far 0 84 0 - 6.2-11.0 HG2 PRO 117 - HG2 GLU 102 far 0 64 0 - 7.5-12.7 HG3 PRO 117 - HG2 GLU 102 far 0 64 0 - 8.0-14.2 HG3 GLN 134 - HG2 GLU 44 far 0 100 0 - 8.6-13.6 HB3 LYS 39 - HG2 GLU 44 far 0 99 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 1421 from aliabs.peaks (2.31, 2.31, 34.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 44 + HG2 GLU 44 OK 100 100 - 100 HG2 GLU 102 + HG2 GLU 102 OK 79 79 - 100 Peak 1422 from aliabs.peaks (2.48, 2.31, 34.64 ppm; 2.63 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 102 + HG2 GLU 102 OK 59 59 100 100 1.8-1.8 1.8=100 HG3 GLN 104 - HG2 GLU 102 far 0 80 0 - 6.4-10.8 HG3 GLN 127 - HG2 GLU 44 far 0 100 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 1424 from aliabs.peaks (8.33, 2.48, 34.64 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.6-4.2 6529=100, 6528/1.8=95...(19) H ALA 110 - HG3 GLN 104 far 6 63 10 - 5.6-16.3 H ALA 21 - HG3 GLU 44 far 0 83 0 - 7.7-34.2 H TYR 72 - HG3 GLU 44 far 0 97 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1425 from aliabs.peaks (4.04, 2.48, 34.64 ppm; 3.65 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.5-3.9 3.7=96, 1418/1.8=76...(12) HA GLU 102 - HG3 GLN 104 poor 15 76 20 - 3.4-8.2 HA LEU 103 - HG3 GLN 104 poor 9 44 20 - 5.0-7.3 HA ILE 37 - HG3 GLU 44 far 0 81 0 - 5.3-11.1 HA LEU 119 - HG3 GLN 104 far 0 65 0 - 7.5-14.8 HB THR 65 - HG3 GLU 44 far 0 76 0 - 8.2-15.8 HA LEU 122 - HG3 GLN 104 far 0 78 0 - 8.4-15.1 HA LEU 96 - HG3 GLN 104 far 0 71 0 - 8.7-14.8 Violated in 8 structures by 0.05 A. Peak 1426 from aliabs.peaks (2.02, 2.48, 34.64 ppm; 3.74 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-2.9 3.0=100 HB VAL 63 + HG3 GLN 104 OK 23 78 30 100 3.5-7.7 2.1/11442=54, ~11521=47...(25) HB3 GLU 40 - HG3 GLU 44 far 10 100 10 - 4.3-9.1 QE MET 11 - HG3 GLN 104 far 4 78 5 - 3.2-40.8 HB3 GLU 30 - HG3 GLN 104 far 0 69 0 - 5.6-21.6 HB VAL 20 - HG3 GLU 44 far 0 76 0 - 7.3-32.6 HB3 MET 11 - HG3 GLN 104 far 0 72 0 - 8.3-48.5 HB2 GLN 134 - HG3 GLU 44 far 0 100 0 - 9.2-13.4 Violated in 0 structures by 0.00 A. Peak 1427 from aliabs.peaks (2.07, 2.48, 34.64 ppm; 3.52 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 27 - HG3 GLU 44 far 15 98 15 - 3.0-27.1 HB3 GLN 27 - HG3 GLN 104 far 4 74 5 - 2.2-23.4 HB2 GLU 102 - HG3 GLN 104 far 0 74 0 - 5.5-9.5 HB VAL 118 - HG3 GLN 104 far 0 76 0 - 6.0-14.5 HB2 LEU 62 - HG3 GLN 104 far 0 67 0 - 7.1-12.3 HG3 GLN 134 - HG3 GLU 44 far 0 100 0 - 8.7-13.3 HB3 LYS 39 - HG3 GLU 44 far 0 99 0 - 9.1-11.9 HG3 PRO 113 - HG3 GLN 104 far 0 67 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 1428 from aliabs.peaks (2.31, 2.48, 34.64 ppm; 2.61 A): 1 out of 13 assignments used, quality = 1.00: * HG2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 27 - HG3 GLU 44 far 3 63 5 - 4.0-26.7 HG2 GLN 27 - HG3 GLN 104 far 2 42 5 - 1.9-26.1 HG3 GLN 27 - HG3 GLN 104 far 2 38 5 - 3.3-24.6 HG3 GLN 27 - HG3 GLU 44 far 0 57 0 - 4.6-26.6 HB3 GLN 101 - HG3 GLN 104 far 0 67 0 - 4.6-10.6 HG2 GLU 40 - HG3 GLU 44 far 0 68 0 - 5.0-9.9 HG2 GLU 102 - HG3 GLN 104 far 0 71 0 - 6.4-10.8 HG3 GLN 68 - HG3 GLU 44 far 0 100 0 - 6.5-13.4 HG3 GLU 30 - HG3 GLN 104 far 0 75 0 - 7.2-23.1 HG3 GLU 30 - HG3 GLU 44 far 0 99 0 - 7.6-24.2 HB3 GLN 134 - HG3 GLU 44 far 0 95 0 - 8.0-12.1 HG3 GLN 68 - HG3 GLN 104 far 0 78 0 - 8.5-16.0 Violated in 0 structures by 0.00 A. Peak 1429 from aliabs.peaks (2.48, 2.48, 34.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 HG3 GLN 104 + HG3 GLN 104 OK 72 72 - 100 Peak 1431 from aliabs.peaks (7.69, 4.11, 62.25 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + HA CYS 45 OK 100 100 100 100 2.7-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 1432 from aliabs.peaks (4.11, 4.11, 62.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 45 + HA CYS 45 OK 100 100 - 100 Peak 1433 from aliabs.peaks (2.93, 4.11, 62.25 ppm; 4.04 A): 1 out of 10 assignments used, quality = 1.00: * HB2 CYS 45 + HA CYS 45 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 36 - HA CYS 45 poor 14 71 20 - 3.9-13.5 HE2 LYS 36 - HA CYS 45 poor 14 71 20 - 4.7-13.1 HE3 LYS 24 - HA CYS 45 far 5 96 5 - 5.1-25.4 HE2 LYS 24 - HA CYS 45 far 4 87 5 - 5.3-27.0 HE2 LYS 26 - HA CYS 45 far 4 73 5 - 4.8-28.2 HE3 LYS 26 - HA CYS 45 far 3 65 5 - 4.1-28.4 HE3 LYS 31 - HA CYS 45 far 0 87 0 - 6.1-22.9 HE2 LYS 31 - HA CYS 45 far 0 73 0 - 6.7-21.6 HE3 LYS 19 - HA CYS 45 far 0 81 0 - 9.7-35.4 Violated in 0 structures by 0.00 A. Peak 1434 from aliabs.peaks (3.12, 4.11, 62.25 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 45 + HA CYS 45 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 HIS 7 - HA CYS 45 far 0 76 0 - 8.0-50.6 HB2 HIS 7 - HA CYS 45 far 0 96 0 - 8.4-49.8 Violated in 0 structures by 0.00 A. Peak 1436 from aliabs.peaks (8.05, 4.11, 62.25 ppm; 5.65 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 48 + HA CYS 45 OK 100 100 100 100 3.2-3.9 6585/1438=88...(13) H ALA 52 - HA CYS 45 far 0 78 0 - 8.4-9.7 H SER 130 - HA CYS 45 far 0 95 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 1437 from aliabs.peaks (1.78, 4.11, 62.25 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 48 + HA CYS 45 OK 100 100 100 100 2.5-4.8 1.8/1438=79...(16) HB3 LYS 19 - HA CYS 45 far 0 63 0 - 7.1-32.1 Violated in 2 structures by 0.04 A. Peak 1438 from aliabs.peaks (1.89, 4.11, 62.25 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 48 + HA CYS 45 OK 100 100 100 100 2.3-5.5 1.8/1437=75...(17) HB3 LYS 36 - HA CYS 45 poor 19 97 20 - 4.5-13.0 HB3 LEU 49 - HA CYS 45 far 0 81 0 - 6.3-8.5 HB2 GLU 40 - HA CYS 45 far 0 100 0 - 8.8-10.9 Violated in 15 structures by 0.60 A. Peak 1439 from aliabs.peaks (3.47, 2.93, 26.00 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HB2 CYS 45 OK 100 100 100 100 2.4-4.8 1295=100, 1445/1.8=84...(11) Violated in 0 structures by 0.00 A. Peak 1440 from aliabs.peaks (7.69, 2.93, 26.00 ppm; 5.40 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + HB2 CYS 45 OK 100 100 100 100 2.1-2.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 1441 from aliabs.peaks (4.11, 2.93, 26.00 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 45 + HB2 CYS 45 OK 100 100 100 100 2.3-3.0 3.0=100 HA ILE 32 - HB2 CYS 45 far 0 99 0 - 5.8-14.4 HA LEU 48 - HB2 CYS 45 far 0 93 0 - 7.7-8.8 HA LEU 49 - HB2 CYS 45 far 0 99 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 1442 from aliabs.peaks (2.93, 2.93, 26.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 45 + HB2 CYS 45 OK 100 100 - 100 Peak 1443 from aliabs.peaks (3.12, 2.93, 26.00 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HB3 CYS 45 + HB2 CYS 45 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 76 - HB2 CYS 45 far 0 90 0 - 8.5-11.1 HB3 HIS 7 - HB2 CYS 45 far 0 76 0 - 9.0-49.8 HB2 HIS 7 - HB2 CYS 45 far 0 96 0 - 9.3-49.0 Violated in 0 structures by 0.00 A. Peak 1444 from aliabs.peaks (8.53, 2.93, 26.00 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HB2 CYS 45 OK 100 100 100 100 2.1-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 1445 from aliabs.peaks (3.47, 3.12, 26.00 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HB3 CYS 45 OK 100 100 100 100 3.2-5.1 1295/1.8=84, 1296=71...(8) Violated in 4 structures by 0.01 A. Peak 1446 from aliabs.peaks (7.69, 3.12, 26.00 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + HB3 CYS 45 OK 100 100 100 100 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 1447 from aliabs.peaks (4.11, 3.12, 26.00 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 45 + HB3 CYS 45 OK 100 100 100 100 2.3-3.0 3.0=100 HA ILE 32 - HB3 CYS 45 far 0 99 0 - 6.0-14.1 HA LEU 49 - HB3 CYS 45 far 0 99 0 - 6.9-9.0 HA LEU 48 - HB3 CYS 45 far 0 93 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 1448 from aliabs.peaks (2.93, 3.12, 26.00 ppm; 3.52 A): 1 out of 9 assignments used, quality = 1.00: * HB2 CYS 45 + HB3 CYS 45 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 36 - HB3 CYS 45 poor 18 71 25 - 2.0-11.8 HE2 LYS 36 - HB3 CYS 45 far 11 71 15 - 2.3-11.1 HE3 LYS 26 - HB3 CYS 45 far 3 65 5 - 4.3-26.1 HE2 LYS 26 - HB3 CYS 45 far 0 73 0 - 5.7-26.0 HE2 LYS 31 - HB3 CYS 45 far 0 73 0 - 6.1-19.1 HE2 LYS 24 - HB3 CYS 45 far 0 87 0 - 6.5-24.8 HE3 LYS 24 - HB3 CYS 45 far 0 96 0 - 6.6-24.0 HE3 LYS 31 - HB3 CYS 45 far 0 87 0 - 7.2-20.4 Violated in 0 structures by 0.00 A. Peak 1449 from aliabs.peaks (3.12, 3.12, 26.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 45 + HB3 CYS 45 OK 100 100 - 100 Peak 1450 from aliabs.peaks (8.53, 3.12, 26.00 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HB3 CYS 45 OK 100 100 100 100 1.9-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 1451 from aliabs.peaks (8.53, 3.89, 55.30 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HA ALA 46 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 1452 from aliabs.peaks (3.89, 3.89, 55.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 46 + HA ALA 46 OK 100 100 - 100 Peak 1453 from aliabs.peaks (1.34, 3.89, 55.30 ppm; 3.22 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 46 + HA ALA 46 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 21 - HA ALA 46 far 0 99 0 - 8.3-26.1 Violated in 0 structures by 0.00 A. Peak 1454 from aliabs.peaks (8.46, 3.89, 55.30 ppm; 5.49 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 47 + HA ALA 46 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 70 + HA ALA 46 OK 43 99 50 86 5.4-8.9 6945/9174=34...(7) H VAL 132 - HA ALA 46 far 0 92 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 1455 from aliabs.peaks (8.30, 3.89, 55.30 ppm; 4.92 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 49 + HA ALA 46 OK 100 100 100 100 3.5-4.1 6594/3.6=56...(19) H LEU 69 + HA ALA 46 OK 55 100 60 92 4.9-7.8 4.9/9174=49...(11) H VAL 126 - HA ALA 46 far 8 81 10 - 6.1-9.0 H LEU 43 - HA ALA 46 far 0 95 0 - 6.8-7.8 H ASP 131 - HA ALA 46 far 0 63 0 - 7.1-8.9 H TYR 72 - HA ALA 46 far 0 81 0 - 7.6-10.6 Violated in 0 structures by 0.00 A. Peak 1458 from aliabs.peaks (3.78, 1.34, 16.76 ppm; 3.09 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 43 + QB ALA 46 OK 95 100 100 95 2.1-3.3 1348=47, 1345/9176=39...(16) HB3 SER 130 + QB ALA 46 OK 90 100 100 91 1.7-3.5 10508=39, 10509/9176=35...(18) HA SER 130 + QB ALA 46 OK 77 100 85 91 3.0-5.3 11747/9176=34...(18) HA VAL 133 - QB ALA 46 far 0 98 0 - 7.3-9.8 HB3 SER 9 - QB ALA 46 far 0 76 0 - 9.1-39.8 HA ARG 90 - QB ALA 46 far 0 78 0 - 9.1-11.7 HA GLU 97 - QB ALA 46 far 0 92 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 1459 from aliabs.peaks (8.53, 1.34, 16.76 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + QB ALA 46 OK 100 100 100 100 2.0-2.3 3.1=100 H HIS 4 - QB ALA 46 far 0 83 0 - 9.1-53.7 Violated in 0 structures by 0.00 A. Peak 1460 from aliabs.peaks (3.89, 1.34, 16.76 ppm; 3.00 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 46 + QB ALA 46 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 SER 50 - QB ALA 46 poor 18 95 35 54 4.1-5.9 1.8/11718=14...(10) HA LEU 70 - QB ALA 46 far 0 97 0 - 5.3-8.0 HA ALA 41 - QB ALA 46 far 0 78 0 - 6.6-7.4 HA2 GLY 2 - QB ALA 46 far 0 100 0 - 8.2-57.6 HA3 GLY 2 - QB ALA 46 far 0 100 0 - 9.2-58.0 Violated in 0 structures by 0.00 A. Peak 1461 from aliabs.peaks (1.34, 1.34, 16.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 46 + QB ALA 46 OK 100 100 - 100 Peak 1462 from aliabs.peaks (8.46, 1.34, 16.76 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 47 + QB ALA 46 OK 100 100 100 100 2.7-3.1 3.7=100 H LEU 70 - QB ALA 46 far 5 99 5 - 5.4-7.6 H VAL 132 - QB ALA 46 far 0 92 0 - 6.1-7.4 H VAL 93 - QB ALA 46 far 0 81 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 1463 from aliabs.peaks (8.46, 4.34, 56.63 ppm; 4.79 A): 1 out of 7 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 100 100 2.8-2.9 2.9=100 H VAL 132 - HA GLN 134 far 0 61 0 - 6.6-6.9 H LEU 100 - HA LYS 24 far 0 42 0 - 8.3-30.3 H VAL 132 - HA ASP 47 far 0 92 0 - 8.9-12.0 H ALA 12 - HA LYS 24 far 0 81 0 - 9.1-19.8 H ASP 47 - HA GLN 134 far 0 73 0 - 9.4-13.0 H LEU 70 - HA LYS 24 far 0 81 0 - 9.6-22.3 Violated in 0 structures by 0.00 A. Peak 1464 from aliabs.peaks (4.34, 4.34, 56.63 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA ASP 47 + HA ASP 47 OK 100 100 - 100 HA LYS 24 + HA LYS 24 OK 81 81 - 100 HA ASN 59 + HA ASN 59 OK 60 60 - 100 HA GLN 134 + HA GLN 134 OK 60 60 - 100 Peak 1465 from aliabs.peaks (2.72, 4.34, 56.63 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 47 + HA ASP 47 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 35 - HA LYS 24 far 4 78 5 - 4.2-27.1 HB2 ASN 85 - HA GLN 134 far 0 40 0 - 6.6-9.1 HB2 ASP 47 - HA GLN 134 far 0 73 0 - 8.1-14.2 Violated in 0 structures by 0.00 A. Peak 1466 from aliabs.peaks (2.83, 4.34, 56.63 ppm; 3.60 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ASN 13 - HA LYS 24 far 7 70 10 - 4.5-24.7 HB2 ASN 116 - HA ASN 59 far 5 49 10 - 4.1-14.7 HB3 ASN 85 - HA GLN 134 far 0 63 0 - 6.8-10.0 HB3 ASP 131 - HA ASP 47 far 0 65 0 - 7.1-10.7 HB3 ASP 71 - HA LYS 24 far 0 51 0 - 7.7-23.4 HB3 ASP 131 - HA GLN 134 far 0 40 0 - 8.1-8.6 HB2 ASN 116 - HA LYS 24 far 0 70 0 - 9.3-33.6 HB3 ASP 47 - HA GLN 134 far 0 73 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 1467 from aliabs.peaks (8.05, 4.34, 56.63 ppm; 5.01 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 48 + HA ASP 47 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 52 - HA ASP 47 poor 20 78 25 - 6.3-6.9 H SER 130 - HA ASP 47 far 14 95 15 - 5.9-9.4 H ALA 52 - HA LYS 24 far 3 59 5 - 5.4-29.6 H SER 130 - HA GLN 134 far 0 64 0 - 8.3-9.3 H LEU 48 - HA LYS 24 far 0 84 0 - 9.5-29.5 Violated in 0 structures by 0.00 A. Peak 1468 from aliabs.peaks (8.66, 4.34, 56.63 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * H SER 50 + HA ASP 47 OK 100 100 100 100 3.1-3.9 6590/1467=75...(18) H SER 50 - HA LYS 24 far 0 84 0 - 8.9-28.7 Violated in 0 structures by 0.00 A. Peak 1469 from aliabs.peaks (3.82, 4.34, 56.63 ppm; 4.16 A): 3 out of 19 assignments used, quality = 0.99: * HB2 SER 50 + HA ASP 47 OK 96 100 100 96 2.6-4.2 1.8/1602=60, 1596=53...(10) HA LEU 62 + HA ASN 59 OK 54 55 100 99 4.8-5.4 2.9/6780=54, 4.1/9388=52...(18) HB2 SER 130 + HA ASP 47 OK 22 100 40 55 3.8-7.9 11718/10901=14, 1596=13...(8) HA GLU 40 - HA GLN 134 poor 12 71 30 55 4.8-9.5 9055/11899=27...(6) HA GLU 40 - HA LYS 24 far 4 82 5 - 5.2-32.6 HB3 SER 33 - HA LYS 24 far 4 76 5 - 2.5-22.2 HB2 SER 9 - HA LYS 24 far 4 76 5 - 3.9-27.7 HB3 SER 9 - HA LYS 24 far 3 53 5 - 3.3-26.3 HD2 PRO 81 - HA GLN 134 far 2 38 5 - 5.6-9.2 HB2 SER 9 - HA ASP 47 far 0 96 0 - 6.0-49.6 HD3 PRO 58 - HA ASN 59 far 0 59 0 - 6.9-6.9 HB3 SER 9 - HA ASP 47 far 0 71 0 - 7.4-49.8 HA VAL 118 - HA LYS 24 far 0 65 0 - 7.5-33.0 HA LEU 123 - HA ASP 47 far 0 65 0 - 7.7-9.9 HB2 SER 130 - HA GLN 134 far 0 71 0 - 7.8-9.2 HD3 PRO 58 - HA LYS 24 far 0 83 0 - 8.4-30.3 HA VAL 118 - HA ASN 59 far 0 45 0 - 8.5-15.6 HA LEU 123 - HA ASN 59 far 0 32 0 - 9.1-13.2 HA GLU 40 - HA ASP 47 far 0 99 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 1470 from aliabs.peaks (3.88, 4.34, 56.63 ppm; 4.71 A): 2 out of 18 assignments used, quality = 1.00: * HB3 SER 50 + HA ASP 47 OK 100 100 100 100 2.2-4.1 1602=94, 1.8/1596=58...(11) HA ALA 46 + HA ASP 47 OK 94 95 100 99 4.7-4.8 ~6568=54, ~1462=54...(18) HB3 SER 60 - HA ASN 59 poor 18 29 60 - 5.5-6.6 HB2 SER 60 - HA ASN 59 poor 8 29 75 36 5.4-6.6 4.6/6749=29...(5) HA2 GLY 2 - HA ASP 47 far 4 89 5 - 5.9-71.4 HB2 SER 33 - HA LYS 24 far 2 46 5 - 3.2-21.4 HA2 GLY 114 - HA ASN 59 lone 2 60 40 9 3.7-12.4 10162/1881=5...(3) HD2 PRO 81 - HA GLN 134 far 2 40 5 - 5.6-9.2 HB2 SER 60 - HA LYS 24 far 0 44 0 - 7.0-28.9 HA2 GLY 2 - HA GLN 134 far 0 58 0 - 7.4-75.8 HA3 GLY 2 - HA ASP 47 far 0 87 0 - 7.5-71.8 HA LEU 123 - HA ASP 47 far 0 63 0 - 7.7-9.9 HB3 SER 60 - HA LYS 24 far 0 44 0 - 8.0-27.3 HB2 SER 94 - HA LYS 24 far 0 63 0 - 8.3-34.6 HD2 PRO 117 - HA ASN 59 far 0 39 0 - 8.4-17.8 HA3 GLY 2 - HA GLN 134 far 0 56 0 - 8.7-76.4 HA LEU 123 - HA ASN 59 far 0 31 0 - 9.1-13.2 HD2 PRO 117 - HA LYS 24 far 0 57 0 - 9.4-37.7 Violated in 0 structures by 0.00 A. Peak 1471 from aliabs.peaks (4.04, 2.72, 39.77 ppm; 4.08 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 44 + HB2 ASP 47 OK 100 100 100 100 2.8-3.9 1400/1.8=83...(8) HB2 SER 74 - HB3 ASP 78 far 0 85 0 - 7.0-9.9 HB3 SER 74 - HB3 ASP 78 far 0 78 0 - 7.2-10.7 HA ILE 37 - HB3 ASP 78 far 0 72 0 - 8.6-17.8 HB THR 65 - HB2 ASP 47 far 0 76 0 - 8.7-12.0 HA ILE 37 - HB2 ASP 47 far 0 81 0 - 9.4-14.1 HD3 PRO 81 - HB3 ASP 78 far 0 94 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 1473 from aliabs.peaks (4.34, 2.72, 39.77 ppm; 3.66 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.4-3.0 3.0=100 HA2 GLY 75 - HB3 ASP 78 poor 16 88 40 46 4.4-7.2 3.5/2420=16...(6) HA ASP 131 - HB2 ASP 47 far 0 60 0 - 6.3-11.5 HA GLN 134 - HB2 ASP 47 far 0 90 0 - 8.1-14.2 HA LEU 69 - HB2 ASP 47 far 0 97 0 - 9.6-12.3 HA PRO 81 - HB3 ASP 78 far 0 90 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1474 from aliabs.peaks (2.72, 2.72, 39.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 47 + HB2 ASP 47 OK 100 100 - 100 HB3 ASP 78 + HB3 ASP 78 OK 92 92 - 100 Peak 1475 from aliabs.peaks (2.83, 2.72, 39.77 ppm; 2.81 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 131 - HB2 ASP 47 far 0 65 0 - 7.3-12.9 Violated in 0 structures by 0.00 A. Peak 1477 from aliabs.peaks (4.04, 2.83, 39.77 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 44 + HB3 ASP 47 OK 100 100 100 100 2.3-3.3 1400=100, 1471/1.8=75...(8) HB THR 65 - HB3 ASP 47 far 0 76 0 - 8.7-12.6 HA ILE 37 - HB3 ASP 47 far 0 81 0 - 9.0-14.0 Violated in 0 structures by 0.00 A. Peak 1478 from aliabs.peaks (8.46, 2.83, 39.77 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.1-2.7 4.0=100 H VAL 132 - HB3 ASP 47 far 0 92 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 1479 from aliabs.peaks (4.34, 2.83, 39.77 ppm; 3.58 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.5-3.0 3.0=100 HA ASP 131 - HB3 ASP 47 far 0 60 0 - 6.8-11.1 HA GLN 134 - HB3 ASP 47 far 0 90 0 - 9.4-13.2 HA LEU 69 - HB3 ASP 47 far 0 97 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 1480 from aliabs.peaks (2.72, 2.83, 39.77 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB3 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1481 from aliabs.peaks (2.83, 2.83, 39.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + HB3 ASP 47 OK 100 100 - 100 Peak 1482 from aliabs.peaks (8.05, 2.83, 39.77 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 48 + HB3 ASP 47 OK 100 100 100 100 2.6-4.0 4.7=100 H ALA 52 - HB3 ASP 47 far 0 78 0 - 7.7-8.9 H SER 130 - HB3 ASP 47 far 0 95 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 1483 from aliabs.peaks (8.05, 4.10, 58.01 ppm; 4.91 A): 4 out of 4 assignments used, quality = 1.00: * H LEU 48 + HA LEU 48 OK 100 100 100 100 2.8-2.9 2.9=100 H ALA 52 + HA LEU 48 OK 77 78 100 99 4.0-5.0 4.6/1492=60, 4.6/1493=40...(18) H LEU 48 + HA LEU 49 OK 57 57 100 100 5.2-5.5 6589/2.9=89, 6590/3.6=63...(18) H ALA 52 + HA LEU 49 OK 38 38 100 100 3.0-3.4 ~9247=41, ~6610=40...(33) Violated in 0 structures by 0.00 A. Peak 1484 from aliabs.peaks (4.10, 4.10, 58.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LEU 48 + HA LEU 48 OK 100 100 - 100 HA LEU 98 + HA LEU 98 OK 93 93 - 100 HA GLN 104 + HA GLN 104 OK 77 77 - 100 HA LEU 49 + HA LEU 49 OK 55 55 - 100 Peak 1485 from aliabs.peaks (1.78, 4.10, 58.01 ppm; 3.95 A): 4 out of 17 assignments used, quality = 1.00: * HB2 LEU 48 + HA LEU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 98 + HA LEU 98 OK 94 94 100 100 2.5-3.0 3.0=100 HB3 LEU 103 + HA GLN 104 OK 73 74 100 98 4.2-5.2 7488/3.0=49...(26) HB2 LEU 48 + HA LEU 49 OK 48 57 85 99 3.9-5.5 6598/2.9=56, ~6600=24...(39) HG LEU 100 - HA GLN 104 far 12 83 15 - 4.4-9.2 HB3 LYS 19 - HA LEU 48 far 3 63 5 - 3.8-36.0 HB2 ARG 23 - HA LEU 98 far 3 57 5 - 4.7-35.4 HB3 LEU 122 - HA LEU 98 far 0 89 0 - 6.5-10.4 HG LEU 100 - HA LEU 49 far 0 56 0 - 6.8-14.3 HB3 LEU 103 - HA LEU 98 far 0 85 0 - 7.1-8.5 HB2 ARG 23 - HA GLN 104 far 0 49 0 - 7.7-33.5 HG LEU 100 - HA LEU 98 far 0 93 0 - 7.7-9.1 HB3 LEU 122 - HA GLN 104 far 0 78 0 - 7.7-11.3 HB2 ARG 23 - HA LEU 48 far 0 65 0 - 8.5-29.5 HB3 LYS 19 - HA LEU 49 far 0 29 0 - 8.6-33.0 HB3 LEU 122 - HA LEU 49 far 0 52 0 - 9.1-12.6 HB2 ARG 23 - HA LEU 49 far 0 31 0 - 9.8-25.3 Violated in 0 structures by 0.00 A. Peak 1486 from aliabs.peaks (1.89, 4.10, 58.01 ppm; 3.90 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LEU 48 + HA LEU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 48 + HA LEU 49 OK 54 57 95 99 4.1-5.4 ~6598=36, 6599/2.9=30...(38) HB3 LEU 49 + HA LEU 49 OK 40 40 100 100 2.3-2.6 3.0=100 HB3 LEU 123 - HA LEU 49 far 0 49 0 - 6.3-10.1 HB3 LEU 49 - HA LEU 48 far 0 81 0 - 6.6-6.6 HB2 PRO 113 - HA GLN 104 far 0 71 0 - 7.5-17.1 HB3 LEU 119 - HA LEU 49 far 0 40 0 - 8.5-15.5 HB3 LYS 36 - HA LEU 48 far 0 97 0 - 9.4-18.6 HB3 LEU 123 - HA LEU 48 far 0 93 0 - 9.9-13.6 HB2 PRO 113 - HA LEU 49 far 0 46 0 - 9.9-19.0 Violated in 0 structures by 0.00 A. Peak 1487 from aliabs.peaks (1.71, 4.10, 58.01 ppm; 4.25 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 48 + HA LEU 48 OK 100 100 100 100 3.1-4.2 3.7=100 HG LEU 98 + HA LEU 98 OK 94 94 100 100 2.9-4.3 3.7=100 HG LEU 48 + HA LEU 49 OK 31 57 55 99 2.8-6.5 6600/2.9=53, ~6598=31...(33) HB2 LEU 70 - HA LEU 98 far 0 92 0 - 7.3-10.8 HB3 LEU 70 - HA GLN 104 far 0 85 0 - 7.8-13.5 HB3 LEU 70 - HA LEU 98 far 0 95 0 - 8.4-10.2 HB2 LEU 70 - HA GLN 104 far 0 81 0 - 8.4-13.1 HB2 LEU 43 - HA LEU 48 far 0 97 0 - 9.1-11.0 HB2 LEU 70 - HA LEU 49 far 0 54 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 1488 from aliabs.peaks (0.90, 4.10, 58.01 ppm; 3.75 A): 8 out of 34 assignments used, quality = 1.00: * QD2 LEU 48 + HA LEU 48 OK 100 100 100 100 2.7-3.9 3.8=95, 1527/3.6=33...(26) QD1 LEU 48 + HA LEU 48 OK 93 93 100 100 1.9-3.6 4.0=80, 1528/2.9=38...(31) QD2 LEU 98 + HA LEU 98 OK 86 86 100 100 1.8-3.4 4.0=84, 2.1/3185=79...(25) QG2 VAL 63 + HA GLN 104 OK 69 73 95 99 1.8-5.3 11523/3.9=45...(21) QD1 LEU 49 + HA LEU 49 OK 45 45 100 99 3.3-3.8 4.1=78, 2.1/1573=41...(21) QD2 LEU 123 + HA LEU 49 OK 39 50 85 92 2.9-6.6 3948/3.7=24...(33) QD2 LEU 48 + HA LEU 49 OK 37 57 65 99 2.0-5.5 1527/2.9=39, 9205/3.7=37...(43) QD1 LEU 48 + HA LEU 49 OK 27 49 55 99 2.6-5.8 1535/2.9=26, ~6600=26...(44) QD1 LEU 62 - HA GLN 104 poor 14 68 20 - 4.4-10.1 QG2 VAL 112 - HA GLN 104 poor 9 47 20 - 4.6-15.8 QG1 VAL 118 - HA GLN 104 far 8 85 10 - 4.5-10.0 QG2 VAL 20 - HA LEU 48 far 5 100 5 - 3.8-26.0 QG1 VAL 20 - HA LEU 48 far 5 95 5 - 1.9-25.9 QG1 VAL 118 - HA LEU 98 far 5 94 5 - 4.5-7.9 QD1 LEU 62 - HA LEU 49 far 4 44 10 - 4.2-8.7 QG2 VAL 20 - HA LEU 49 far 3 57 5 - 4.4-23.7 QG1 VAL 20 - HA LEU 49 far 2 50 5 - 3.8-26.0 QD2 LEU 69 - HA LEU 49 far 1 28 5 - 4.4-8.7 QD1 LEU 49 - HA LEU 48 far 0 89 0 - 5.6-6.1 QD2 LEU 69 - HA LEU 48 far 0 60 0 - 5.7-9.5 QD2 LEU 123 - HA LEU 48 far 0 95 0 - 6.5-9.7 QG2 VAL 20 - HA LEU 98 far 0 94 0 - 6.7-32.6 QD1 LEU 22 - HA LEU 48 far 0 99 0 - 7.0-27.6 QG1 VAL 118 - HA LEU 49 far 0 57 0 - 7.2-13.6 QG2 VAL 63 - HA LEU 49 far 0 48 0 - 7.6-11.2 QD1 LEU 62 - HA LEU 48 far 0 87 0 - 8.1-12.5 QD1 LEU 22 - HA GLN 104 far 0 81 0 - 8.7-30.2 QG1 VAL 20 - HA LEU 98 far 0 86 0 - 8.8-35.2 QD2 LEU 123 - HA GLN 104 far 0 76 0 - 9.0-13.4 QG2 VAL 63 - HA LEU 98 far 0 83 0 - 9.1-11.0 QD2 LEU 69 - HA GLN 104 far 0 44 0 - 9.4-16.1 QD2 LEU 98 - HA GLN 104 far 0 76 0 - 9.8-11.3 QD1 LEU 62 - HA LEU 98 far 0 78 0 - 9.8-13.1 QG2 VAL 20 - HA GLN 104 far 0 85 0 - 9.9-30.4 Violated in 0 structures by 0.00 A. Peak 1489 from aliabs.peaks (0.91, 4.10, 58.01 ppm; 3.69 A): 9 out of 39 assignments used, quality = 1.00: * QD1 LEU 48 + HA LEU 48 OK 100 100 100 100 1.9-3.6 4.0=76, 1528/2.9=41...(31) QD2 LEU 48 + HA LEU 48 OK 93 93 100 100 2.7-3.9 3.8=91, ~6586=32...(26) QG2 VAL 63 + HA GLN 104 OK 80 85 95 99 1.8-5.3 11521/3.9=45...(21) QD2 LEU 98 + HA LEU 98 OK 57 57 100 100 1.8-3.4 4.0=80, 2.1/3185=77...(25) QD1 LEU 49 + HA LEU 49 OK 56 57 100 99 3.3-3.8 4.1=74, 2.1/1573=39...(22) QD2 LEU 48 + HA LEU 49 OK 31 49 65 99 2.0-5.5 1527/2.9=34, 9205/3.7=32...(43) QD1 LEU 48 + HA LEU 49 OK 31 57 55 99 2.6-5.8 1535/2.9=28, ~6600=25...(44) QD2 LEU 123 + HA LEU 49 OK 23 31 85 86 2.9-6.6 3948/3.7=13, ~1560=11...(33) QD1 LEU 123 + HA LEU 49 OK 20 46 50 87 3.1-7.5 11874/4.8=21, 1581=14...(27) QD1 LEU 62 - HA GLN 104 poor 17 84 20 - 4.4-10.1 QG2 VAL 112 - HA GLN 104 far 11 74 15 - 4.6-15.8 QG1 VAL 118 - HA GLN 104 far 7 71 10 - 4.5-10.0 QD1 LEU 62 - HA LEU 49 far 6 57 10 - 4.2-8.7 QG1 VAL 20 - HA LEU 48 far 5 100 5 - 1.9-25.9 QG2 VAL 20 - HA LEU 48 far 5 90 5 - 3.8-26.0 QG1 VAL 118 - HA LEU 98 far 4 82 5 - 4.5-7.9 QG1 VAL 20 - HA LEU 49 far 3 57 5 - 3.8-26.0 QG2 VAL 20 - HA LEU 49 far 2 46 5 - 4.4-23.7 QD1 LEU 49 - HA LEU 48 far 0 100 0 - 5.6-6.1 QD2 LEU 123 - HA LEU 48 far 0 65 0 - 6.5-9.7 QD1 LEU 119 - HA LEU 98 far 0 52 0 - 6.6-14.0 QD1 LEU 123 - HA LEU 48 far 0 90 0 - 6.6-9.4 QG2 VAL 20 - HA LEU 98 far 0 82 0 - 6.7-32.6 QD1 LEU 22 - HA LEU 48 far 0 78 0 - 7.0-27.6 QD1 LEU 119 - HA LEU 49 far 0 28 0 - 7.1-13.1 QG1 VAL 118 - HA LEU 49 far 0 46 0 - 7.2-13.6 QG2 VAL 63 - HA LEU 49 far 0 57 0 - 7.6-11.2 QD1 LEU 119 - HA GLN 104 far 0 44 0 - 7.9-11.1 QG2 ILE 37 - HA LEU 49 far 0 34 0 - 8.0-15.8 QD1 LEU 62 - HA LEU 48 far 0 100 0 - 8.1-12.5 QD1 LEU 22 - HA GLN 104 far 0 60 0 - 8.7-30.2 QG1 VAL 20 - HA LEU 98 far 0 95 0 - 8.8-35.2 QD2 LEU 123 - HA GLN 104 far 0 49 0 - 9.0-13.4 QG2 VAL 63 - HA LEU 98 far 0 95 0 - 9.1-11.0 QG2 ILE 37 - HA LEU 48 far 0 71 0 - 9.3-15.7 QD2 LEU 98 - HA GLN 104 far 0 49 0 - 9.8-11.3 QD1 LEU 62 - HA LEU 98 far 0 94 0 - 9.8-13.1 QG2 ILE 37 - HA GLN 104 far 0 53 0 - 9.8-20.0 QG2 VAL 20 - HA GLN 104 far 0 71 0 - 9.9-30.4 Violated in 0 structures by 0.00 A. Peak 1490 from aliabs.peaks (8.30, 4.10, 58.01 ppm; 4.86 A): 3 out of 15 assignments used, quality = 1.00: * H LEU 49 + HA LEU 48 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 99 + HA LEU 98 OK 91 91 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 57 57 100 100 2.7-2.9 2.9=100 H ALA 21 - HA LEU 48 far 5 96 5 - 6.2-31.9 H ALA 110 - HA GLN 104 far 4 73 5 - 6.3-13.0 H LEU 96 - HA LEU 98 far 0 62 0 - 6.9-7.4 H LEU 69 - HA LEU 49 far 0 57 0 - 7.1-10.7 H ALA 110 - HA LEU 98 far 0 83 0 - 8.2-21.7 H VAL 126 - HA LEU 49 far 0 40 0 - 9.1-11.4 H LEU 69 - HA LEU 48 far 0 100 0 - 9.3-13.2 H ALA 21 - HA LEU 49 far 0 51 0 - 9.4-29.1 H LEU 69 - HA GLN 104 far 0 85 0 - 9.5-15.0 H ALA 21 - HA LEU 98 far 0 88 0 - 9.7-41.2 H SER 99 - HA GLN 104 far 0 80 0 - 9.9-11.3 H LEU 43 - HA LEU 48 far 0 95 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1491 from aliabs.peaks (7.99, 4.10, 58.01 ppm; 5.72 A): 2 out of 4 assignments used, quality = 1.00: * H SER 51 + HA LEU 48 OK 100 100 100 100 3.3-3.9 1616/1492=90...(21) H SER 51 + HA LEU 49 OK 57 57 100 100 3.8-4.5 6610/2.9=92, ~6619=38...(20) H SER 94 - HA LEU 98 far 0 92 0 - 8.1-9.3 H VAL 57 - HA LEU 49 far 0 40 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 1492 from aliabs.peaks (3.94, 4.10, 58.01 ppm; 4.14 A): 1 out of 26 assignments used, quality = 1.00: * HB2 SER 51 + HA LEU 48 OK 100 100 100 100 3.2-4.8 1615=100, 1.8/1621=35...(11) HB2 SER 106 - HA GLN 104 poor 19 55 35 - 4.5-9.2 HA LEU 100 - HA GLN 104 poor 18 60 30 - 4.8-6.9 HB2 SER 51 - HA LEU 49 poor 11 57 20 - 5.5-6.5 HB2 SER 107 - HA GLN 104 poor 11 55 20 - 4.6-10.6 HB3 SER 107 - HA GLN 104 far 10 69 15 - 3.1-10.9 HA THR 65 - HA LEU 49 far 4 29 15 - 5.1-8.3 HA2 GLY 17 - HA LEU 48 far 0 98 0 - 5.7-31.4 HD3 PRO 113 - HA GLN 104 far 0 83 0 - 5.7-17.4 HB3 SER 107 - HA LEU 98 far 0 80 0 - 6.4-16.2 HA LEU 100 - HA LEU 98 far 0 69 0 - 6.6-7.1 HB3 SER 94 - HA LEU 98 far 0 50 0 - 7.1-9.1 HA2 GLY 111 - HA GLN 104 far 0 78 0 - 7.1-14.9 HB2 SER 106 - HA LEU 98 far 0 65 0 - 7.2-14.6 HA2 GLY 17 - HA LEU 49 far 0 54 0 - 7.3-33.9 HA THR 65 - HA LEU 48 far 0 63 0 - 7.5-11.3 HA3 GLY 17 - HA LEU 48 far 0 92 0 - 7.5-31.1 HA GLN 127 - HA LEU 49 far 0 32 0 - 7.6-9.9 HA3 GLY 111 - HA GLN 104 far 0 84 0 - 7.7-15.3 HB2 SER 107 - HA LEU 98 far 0 65 0 - 7.8-16.1 HA GLN 127 - HA LEU 48 far 0 68 0 - 8.7-10.6 HD3 PRO 117 - HA GLN 104 far 0 79 0 - 8.7-17.5 HA3 GLY 17 - HA LEU 49 far 0 48 0 - 8.7-33.3 HA THR 65 - HA GLN 104 far 0 47 0 - 9.0-14.8 HA ALA 41 - HA LEU 48 far 0 63 0 - 9.2-11.5 HA LEU 100 - HA LEU 49 far 0 38 0 - 9.4-14.7 Violated in 14 structures by 0.16 A. Peak 1493 from aliabs.peaks (3.98, 4.10, 58.01 ppm; 3.99 A): 2 out of 32 assignments used, quality = 0.97: * HB3 SER 51 + HA LEU 48 OK 95 100 100 95 3.3-3.8 1.8/1615=73, 1621=43...(13) HA SER 50 + HA LEU 49 OK 45 48 100 95 4.7-4.9 4.8=56, 9218/3.9=20...(21) HB3 SER 106 - HA GLN 104 poor 12 85 35 39 4.7-9.0 11463/3.6=17...(5) HA LEU 100 - HA GLN 104 far 10 69 15 - 4.8-6.9 HB3 SER 107 - HA GLN 104 far 9 60 15 - 3.1-10.9 HB2 SER 106 - HA GLN 104 poor 8 73 35 31 4.5-9.2 11463/3.6=13...(5) HA THR 65 - HA LEU 49 far 8 52 15 - 5.1-8.3 HB3 SER 51 - HA LEU 49 far 6 57 10 - 5.3-6.1 HA VAL 20 - HA LEU 48 far 5 98 5 - 4.7-32.3 HB3 SER 99 - HA LEU 98 far 0 82 0 - 5.6-6.6 HA2 GLY 17 - HA LEU 48 far 0 57 0 - 5.7-31.4 HA SER 60 - HA GLN 104 far 0 47 0 - 6.2-9.1 HA SER 50 - HA LEU 48 far 0 92 0 - 6.4-6.8 HB3 SER 107 - HA LEU 98 far 0 69 0 - 6.4-16.2 HA LEU 100 - HA LEU 98 far 0 80 0 - 6.6-7.1 HB3 SER 94 - HA LEU 98 far 0 91 0 - 7.1-9.1 HB2 SER 106 - HA LEU 98 far 0 83 0 - 7.2-14.6 HA2 GLY 17 - HA LEU 49 far 0 26 0 - 7.3-33.9 HA VAL 20 - HA LEU 49 far 0 54 0 - 7.5-29.1 HA THR 65 - HA LEU 48 far 0 97 0 - 7.5-11.3 HA3 GLY 17 - HA LEU 48 far 0 73 0 - 7.5-31.1 HA GLN 127 - HA LEU 49 far 0 50 0 - 7.6-9.9 HB3 SER 106 - HA LEU 98 far 0 94 0 - 7.8-15.2 HA GLN 127 - HA LEU 48 far 0 95 0 - 8.7-10.6 HD3 PRO 117 - HA GLN 104 far 0 44 0 - 8.7-17.5 HA3 GLY 17 - HA LEU 49 far 0 35 0 - 8.7-33.3 HB3 SER 99 - HA GLN 104 far 0 71 0 - 8.8-11.1 HA VAL 20 - HA LEU 98 far 0 91 0 - 8.9-39.9 HA THR 65 - HA GLN 104 far 0 78 0 - 9.0-14.8 HA LEU 100 - HA LEU 49 far 0 45 0 - 9.4-14.7 HA GLN 68 - HA GLN 104 far 0 62 0 - 9.6-14.7 HA GLN 68 - HA LEU 49 far 0 40 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 1494 from aliabs.peaks (4.11, 1.78, 41.65 ppm; 4.10 A): 4 out of 11 assignments used, quality = 1.00: * HA CYS 45 + HB2 LEU 48 OK 100 100 100 100 2.5-4.8 1437=84, 1438/1.8=72...(14) HA LEU 49 + HB2 LEU 48 OK 99 99 100 100 3.9-5.5 2.9/6598=60...(39) HA LEU 48 + HB2 LEU 48 OK 93 93 100 100 2.2-3.0 3.0=100 HA LEU 98 + HB3 LEU 98 OK 85 85 100 100 2.5-3.0 3.0=100 HA LEU 98 - HB3 LEU 122 far 0 63 0 - 6.5-10.4 HA GLN 101 - HB3 LEU 122 far 0 63 0 - 6.6-8.3 HA ALA 52 - HB2 LEU 48 far 0 89 0 - 7.2-9.1 HA GLN 101 - HB3 LEU 98 far 0 85 0 - 7.7-8.2 HA GLN 104 - HB3 LEU 122 far 0 38 0 - 7.7-11.3 HA ILE 32 - HB2 LEU 48 far 0 99 0 - 7.8-20.3 HA LEU 49 - HB3 LEU 122 far 0 64 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 1495 from aliabs.peaks (8.05, 1.78, 41.65 ppm; 4.97 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.0-3.6 3.9=100 H CYS 125 + HB3 LEU 122 OK 64 64 100 100 5.2-5.8 7783/11653=51...(24) H ALA 52 + HB2 LEU 48 OK 46 78 60 98 5.4-7.0 1504/1.8=32...(26) H CYS 125 - HB3 LEU 98 far 0 86 0 - 8.1-11.7 H SER 130 - HB3 LEU 122 far 0 58 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 1496 from aliabs.peaks (4.10, 1.78, 41.65 ppm; 4.15 A): 4 out of 10 assignments used, quality = 1.00: * HA LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 49 + HB2 LEU 48 OK 99 99 100 100 3.9-5.5 2.9/6598=61...(39) HA CYS 45 + HB2 LEU 48 OK 93 93 100 100 2.5-4.8 1437=78, 1438/1.8=65...(15) HA LEU 98 + HB3 LEU 98 OK 87 87 100 100 2.5-3.0 3.0=100 HA LEU 98 - HB3 LEU 122 far 0 64 0 - 6.5-10.4 HA GLN 101 - HB3 LEU 122 far 0 64 0 - 6.6-8.3 HA GLN 101 - HB3 LEU 98 far 0 87 0 - 7.7-8.2 HA GLN 104 - HB3 LEU 122 far 0 59 0 - 7.7-11.3 HA ILE 32 - HB2 LEU 48 far 0 99 0 - 7.8-20.3 HA LEU 49 - HB3 LEU 122 far 0 64 0 - 9.1-12.6 Violated in 0 structures by 0.00 A. Peak 1497 from aliabs.peaks (1.78, 1.78, 41.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LEU 48 + HB2 LEU 48 OK 100 100 - 100 HB3 LEU 98 + HB3 LEU 98 OK 88 88 - 100 HB3 LEU 122 + HB3 LEU 122 OK 60 60 - 100 Peak 1498 from aliabs.peaks (1.89, 1.78, 41.65 ppm; 3.74 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 48 + HB2 LEU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 49 - HB2 LEU 48 far 4 81 5 - 5.1-7.2 HB3 LEU 123 - HB3 LEU 122 far 0 57 0 - 5.8-7.2 HB3 LYS 36 - HB2 LEU 48 far 0 97 0 - 6.8-16.3 HB3 LEU 49 - HB3 LEU 122 far 0 46 0 - 6.8-10.2 HB3 LEU 119 - HB3 LEU 122 far 0 46 0 - 7.4-9.2 HB3 LEU 119 - HB3 LEU 98 far 0 65 0 - 9.0-15.3 HB2 PRO 113 - HB3 LEU 122 far 0 54 0 - 9.4-17.4 Violated in 0 structures by 0.00 A. Peak 1499 from aliabs.peaks (1.71, 1.78, 41.65 ppm; 4.74 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.3-2.9 3.0=100 HG LEU 98 + HB3 LEU 98 OK 88 88 100 100 2.2-3.0 3.0=100 HB2 LEU 70 - HB3 LEU 122 poor 16 63 25 - 3.8-8.4 HB3 LEU 70 - HB3 LEU 122 far 10 66 15 - 4.3-8.6 HG LEU 98 - HB3 LEU 122 far 3 65 5 - 6.2-11.4 HB2 LEU 70 - HB3 LEU 98 far 0 85 0 - 8.3-10.9 HB3 LEU 70 - HB3 LEU 98 far 0 89 0 - 8.4-11.0 HB2 LEU 43 - HB2 LEU 48 far 0 97 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 1500 from aliabs.peaks (0.90, 1.78, 41.65 ppm; 3.92 A): 5 out of 26 assignments used, quality = 1.00: * QD2 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 48 + HB2 LEU 48 OK 93 93 100 100 2.0-3.2 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 80 80 100 100 2.4-3.1 3.1=100 QG1 VAL 118 + HB3 LEU 122 OK 65 66 100 98 1.8-4.7 390/1.8=36, 11612/3.1=25...(33) QD1 LEU 49 + HB2 LEU 48 OK 26 89 30 98 5.0-6.8 4.7/6598=36...(41) QD2 LEU 98 - HB3 LEU 122 poor 17 58 30 - 3.2-8.7 QD2 LEU 123 - HB3 LEU 122 poor 17 58 35 83 3.8-6.7 3944/4.3=37...(22) QD1 LEU 62 - HB3 LEU 122 poor 15 51 30 - 4.4-7.8 QG2 VAL 20 - HB2 LEU 48 far 5 100 5 - 3.2-24.3 QG1 VAL 20 - HB2 LEU 48 far 5 95 5 - 3.2-24.6 QG1 VAL 118 - HB3 LEU 98 far 4 88 5 - 2.3-8.4 QD2 LEU 69 - HB3 LEU 122 far 3 33 10 - 5.1-10.3 QD2 LEU 69 - HB2 LEU 48 far 3 60 5 - 5.4-9.3 QD1 LEU 49 - HB3 LEU 122 far 3 53 5 - 5.4-7.9 QG2 VAL 63 - HB3 LEU 122 far 0 55 0 - 5.8-8.4 QD2 LEU 123 - HB2 LEU 48 far 0 95 0 - 5.9-10.9 QD1 LEU 62 - HB2 LEU 48 far 0 87 0 - 7.4-12.5 QG2 VAL 20 - HB3 LEU 98 far 0 88 0 - 7.9-33.2 QD2 LEU 48 - HB3 LEU 122 far 0 66 0 - 8.1-13.3 QD1 LEU 22 - HB2 LEU 48 far 0 99 0 - 8.3-27.7 QD1 LEU 48 - HB3 LEU 122 far 0 57 0 - 9.0-14.7 QG2 VAL 63 - HB2 LEU 48 far 0 92 0 - 9.2-14.5 QG1 VAL 20 - HB3 LEU 98 far 0 80 0 - 9.7-35.8 QD2 LEU 123 - HB3 LEU 98 far 0 80 0 - 9.8-13.5 QD1 LEU 62 - HB3 LEU 98 far 0 71 0 - 9.8-13.2 QD2 LEU 69 - HB3 LEU 98 far 0 47 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 1501 from aliabs.peaks (0.91, 1.78, 41.65 ppm; 3.83 A): 5 out of 29 assignments used, quality = 1.00: * QD1 LEU 48 + HB2 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 48 + HB2 LEU 48 OK 93 93 100 100 2.0-3.2 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 52 52 100 100 2.4-3.1 3.1=100 QG1 VAL 118 + HB3 LEU 122 OK 52 54 100 96 1.8-4.7 390/1.8=22, 2.1/11916=21...(31) QD1 LEU 49 + HB2 LEU 48 OK 24 100 25 97 5.0-6.8 4.7/6598=34...(41) QD1 LEU 62 - HB3 LEU 122 poor 20 65 30 - 4.4-7.8 QD2 LEU 123 - HB3 LEU 122 poor 13 36 35 - 3.8-6.7 QD2 LEU 98 - HB3 LEU 122 poor 9 36 25 - 3.2-8.7 QG1 VAL 20 - HB2 LEU 48 far 5 100 5 - 3.2-24.6 QG2 VAL 20 - HB2 LEU 48 far 5 90 5 - 3.2-24.3 QG1 VAL 118 - HB3 LEU 98 far 4 75 5 - 2.3-8.4 QD1 LEU 119 - HB3 LEU 98 far 2 47 5 - 5.3-13.9 QD1 LEU 119 - HB3 LEU 122 far 2 33 5 - 5.3-9.2 QD1 LEU 49 - HB3 LEU 122 far 0 66 0 - 5.4-7.9 QG2 VAL 63 - HB3 LEU 122 far 0 66 0 - 5.8-8.4 QD2 LEU 123 - HB2 LEU 48 far 0 65 0 - 5.9-10.9 QD1 LEU 123 - HB3 LEU 122 far 0 54 0 - 6.4-7.5 QD1 LEU 123 - HB2 LEU 48 far 0 90 0 - 6.4-10.6 QG2 ILE 37 - HB2 LEU 48 far 0 71 0 - 6.9-13.8 QD1 LEU 62 - HB2 LEU 48 far 0 100 0 - 7.4-12.5 QG2 ILE 37 - HB3 LEU 122 far 0 39 0 - 7.4-16.1 QG2 VAL 20 - HB3 LEU 98 far 0 75 0 - 7.9-33.2 QD2 LEU 48 - HB3 LEU 122 far 0 57 0 - 8.1-13.3 QD1 LEU 22 - HB2 LEU 48 far 0 78 0 - 8.3-27.7 QD1 LEU 48 - HB3 LEU 122 far 0 66 0 - 9.0-14.7 QG2 VAL 63 - HB2 LEU 48 far 0 100 0 - 9.2-14.5 QG1 VAL 20 - HB3 LEU 98 far 0 89 0 - 9.7-35.8 QD2 LEU 123 - HB3 LEU 98 far 0 52 0 - 9.8-13.5 QD1 LEU 62 - HB3 LEU 98 far 0 88 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1502 from aliabs.peaks (8.30, 1.78, 41.65 ppm; 4.84 A): 6 out of 16 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 48 OK 100 100 100 100 2.1-4.1 4.6=100 H SER 99 + HB3 LEU 98 OK 84 84 100 100 2.2-3.8 4.6=100 H SER 99 + HB3 LEU 122 OK 51 62 85 97 3.1-7.8 7378=30, 11382/3.1=27...(34) H LEU 96 + HB3 LEU 98 OK 51 57 95 95 5.0-6.3 3.6/2963=72...(14) H VAL 126 + HB3 LEU 122 OK 44 46 100 96 4.2-5.5 4.0/11678=45...(18) H LEU 96 + HB3 LEU 122 OK 31 39 80 98 4.4-7.1 2.9/3858=20, 3.7/9998=20...(40) H LEU 69 - HB3 LEU 122 far 3 66 5 - 5.9-12.0 H LEU 69 - HB2 LEU 48 far 0 100 0 - 6.4-11.8 H ALA 110 - HB3 LEU 98 far 0 77 0 - 7.6-22.6 H ALA 21 - HB2 LEU 48 far 0 96 0 - 7.9-30.5 H ALA 110 - HB3 LEU 122 far 0 55 0 - 8.1-17.9 H VAL 126 - HB3 LEU 98 far 0 65 0 - 8.3-12.3 H LEU 43 - HB2 LEU 48 far 0 95 0 - 8.7-11.2 H TYR 72 - HB3 LEU 122 far 0 46 0 - 8.7-12.6 H LEU 49 - HB3 LEU 122 far 0 66 0 - 9.0-13.1 H ALA 21 - HB3 LEU 98 far 0 81 0 - 9.7-41.6 Violated in 0 structures by 0.00 A. Peak 1503 from aliabs.peaks (4.11, 1.89, 41.65 ppm; 4.69 A): 3 out of 5 assignments used, quality = 1.00: * HA CYS 45 + HB3 LEU 48 OK 100 100 100 100 2.3-5.5 1438=100, 1437/1.8=86...(17) HA LEU 49 + HB3 LEU 48 OK 99 99 100 100 4.1-5.4 ~6598=52, 2.9/6599=41...(39) HA LEU 48 + HB3 LEU 48 OK 93 93 100 100 2.2-3.0 3.0=100 HA ALA 52 - HB3 LEU 48 far 0 89 0 - 6.2-8.9 HA ILE 32 - HB3 LEU 48 far 0 99 0 - 8.4-18.8 Violated in 0 structures by 0.00 A. Peak 1504 from aliabs.peaks (8.05, 1.89, 41.65 ppm; 5.12 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.0-3.6 3.9=100 H ALA 52 + HB3 LEU 48 OK 72 78 95 97 4.9-6.7 6596/4.6=30, ~1491=25...(23) Violated in 0 structures by 0.00 A. Peak 1505 from aliabs.peaks (4.10, 1.89, 41.65 ppm; 4.69 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 49 + HB3 LEU 48 OK 99 99 100 100 4.1-5.4 ~6598=52, 2.9/6599=41...(39) HA CYS 45 + HB3 LEU 48 OK 93 93 100 100 2.3-5.5 1438=90, 1437/1.8=77...(17) HA ILE 32 - HB3 LEU 48 far 0 99 0 - 8.4-18.8 Violated in 0 structures by 0.00 A. Peak 1506 from aliabs.peaks (1.78, 1.89, 41.65 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 48 + HB3 LEU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 19 - HB3 LEU 48 far 3 63 5 - 4.8-34.3 HB2 ARG 23 - HB3 LEU 48 far 0 65 0 - 7.2-28.4 Violated in 0 structures by 0.00 A. Peak 1507 from aliabs.peaks (1.89, 1.89, 41.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 48 + HB3 LEU 48 OK 100 100 - 100 Peak 1508 from aliabs.peaks (1.71, 1.89, 41.65 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 LEU 43 - HB3 LEU 48 far 0 97 0 - 8.4-12.1 Violated in 0 structures by 0.00 A. Peak 1509 from aliabs.peaks (0.90, 1.89, 41.65 ppm; 4.33 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 48 + HB3 LEU 48 OK 93 93 100 100 2.0-3.2 3.1=100 QD1 LEU 49 - HB3 LEU 48 far 9 89 10 - 5.4-6.8 QD2 LEU 69 - HB3 LEU 48 far 6 60 10 - 4.1-8.4 QG2 VAL 20 - HB3 LEU 48 far 5 100 5 - 2.0-23.9 QG1 VAL 20 - HB3 LEU 48 far 5 95 5 - 1.9-24.5 QD2 LEU 123 - HB3 LEU 48 far 0 95 0 - 6.2-10.7 QD1 LEU 22 - HB3 LEU 48 far 0 99 0 - 7.2-26.8 QD1 LEU 62 - HB3 LEU 48 far 0 87 0 - 7.4-12.4 QG2 VAL 63 - HB3 LEU 48 far 0 92 0 - 9.4-14.5 Violated in 0 structures by 0.00 A. Peak 1510 from aliabs.peaks (0.91, 1.89, 41.65 ppm; 4.34 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 48 + HB3 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 48 + HB3 LEU 48 OK 93 93 100 100 2.1-3.2 3.1=100 QD1 LEU 49 - HB3 LEU 48 far 10 100 10 - 5.4-6.8 QG1 VAL 20 - HB3 LEU 48 far 5 100 5 - 1.9-24.5 QG2 VAL 20 - HB3 LEU 48 far 5 90 5 - 2.0-23.9 QD2 LEU 123 - HB3 LEU 48 far 0 65 0 - 6.2-10.7 QD1 LEU 123 - HB3 LEU 48 far 0 90 0 - 6.4-10.3 QG2 ILE 37 - HB3 LEU 48 far 0 71 0 - 7.0-15.2 QD1 LEU 22 - HB3 LEU 48 far 0 78 0 - 7.2-26.8 QD1 LEU 62 - HB3 LEU 48 far 0 100 0 - 7.4-12.4 QG2 VAL 63 - HB3 LEU 48 far 0 100 0 - 9.4-14.5 Violated in 0 structures by 0.00 A. Peak 1511 from aliabs.peaks (8.30, 1.89, 41.65 ppm; 5.19 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 49 + HB3 LEU 48 OK 100 100 100 100 2.1-4.1 4.6=100 H ALA 21 - HB3 LEU 48 far 5 96 5 - 6.2-30.5 H LEU 69 - HB3 LEU 48 far 0 100 0 - 7.2-12.8 H LEU 43 - HB3 LEU 48 far 0 95 0 - 8.2-11.9 Violated in 0 structures by 0.00 A. Peak 1512 from aliabs.peaks (8.05, 1.71, 26.79 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 48 + HG LEU 48 OK 100 100 100 100 3.5-4.3 6586=100, 6585/3.0=84...(23) H ALA 52 - HG LEU 48 far 8 78 10 - 4.3-8.0 H CYS 125 - HG LEU 98 far 0 96 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 1513 from aliabs.peaks (4.10, 1.71, 26.79 ppm; 3.88 A): 4 out of 6 assignments used, quality = 1.00: * HA LEU 48 + HG LEU 48 OK 100 100 100 100 3.1-4.2 3.7=100 HA LEU 98 + HG LEU 98 OK 97 97 100 100 2.9-4.3 3.7=100 HA CYS 45 + HG LEU 48 OK 92 93 100 99 3.3-4.9 10886=47, 1438/3.0=46...(14) HA LEU 49 + HG LEU 48 OK 54 99 55 99 2.8-6.5 2.9/6600=44...(33) HA ILE 32 - HG LEU 48 far 0 99 0 - 7.4-18.8 HA GLN 101 - HG LEU 98 far 0 97 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 1514 from aliabs.peaks (1.78, 1.71, 26.79 ppm; 4.74 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 48 + HG LEU 48 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 LEU 98 + HG LEU 98 OK 98 98 100 100 2.2-3.0 3.0=100 HB3 LEU 122 - HG LEU 98 far 5 93 5 - 6.2-11.4 HB3 LYS 19 - HG LEU 48 far 3 63 5 - 4.2-32.0 HB2 ARG 23 - HG LEU 98 far 0 62 0 - 6.4-35.8 HB2 ARG 23 - HG LEU 48 far 0 65 0 - 7.7-26.3 HB3 LEU 103 - HG LEU 98 far 0 89 0 - 9.5-11.1 HG LEU 100 - HG LEU 98 far 0 97 0 - 9.8-11.2 HG LEU 100 - HG LEU 48 far 0 99 0 - 9.8-19.3 Violated in 0 structures by 0.00 A. Peak 1515 from aliabs.peaks (1.89, 1.71, 26.79 ppm; 3.40 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 48 + HG LEU 48 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 LEU 49 - HG LEU 48 far 4 81 5 - 4.9-8.1 HB3 LYS 36 - HG LEU 48 far 0 97 0 - 6.0-16.0 HB3 LEU 123 - HG LEU 48 far 0 93 0 - 9.4-14.8 HB2 MET 11 - HG LEU 48 far 0 73 0 - 9.7-38.5 HB2 ARG 90 - HG LEU 98 far 0 81 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 1516 from aliabs.peaks (1.71, 1.71, 26.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 48 + HG LEU 48 OK 100 100 - 100 HG LEU 98 + HG LEU 98 OK 98 98 - 100 Peak 1517 from aliabs.peaks (0.90, 1.71, 26.79 ppm; 2.78 A): 3 out of 13 assignments used, quality = 1.00: * QD2 LEU 48 + HG LEU 48 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 48 + HG LEU 48 OK 93 93 100 100 2.1-2.1 2.1=100 QD2 LEU 98 + HG LEU 98 OK 91 91 100 100 2.1-2.1 2.1=100 QG2 VAL 20 - HG LEU 48 far 5 100 5 - 3.3-24.8 QG1 VAL 20 - HG LEU 48 far 5 95 5 - 3.3-23.9 QG1 VAL 118 - HG LEU 98 far 0 98 0 - 4.3-9.1 QD2 LEU 69 - HG LEU 48 far 0 60 0 - 4.3-9.4 QD1 LEU 49 - HG LEU 48 far 0 89 0 - 5.3-7.7 QD2 LEU 123 - HG LEU 48 far 0 95 0 - 6.2-10.6 QD1 LEU 22 - HG LEU 48 far 0 99 0 - 6.4-26.4 QD1 LEU 62 - HG LEU 48 far 0 87 0 - 7.8-13.8 QG2 VAL 20 - HG LEU 98 far 0 98 0 - 8.9-33.1 QG2 VAL 63 - HG LEU 48 far 0 92 0 - 9.4-15.5 Violated in 0 structures by 0.00 A. Peak 1518 from aliabs.peaks (0.91, 1.71, 26.79 ppm; 3.32 A): 3 out of 15 assignments used, quality = 1.00: * QD1 LEU 48 + HG LEU 48 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 48 + HG LEU 48 OK 93 93 100 100 2.1-2.1 2.1=100 QD2 LEU 98 + HG LEU 98 OK 62 62 100 100 2.1-2.1 2.1=100 QG1 VAL 20 - HG LEU 48 far 5 100 5 - 3.3-23.9 QG2 VAL 20 - HG LEU 48 far 5 90 5 - 3.3-24.8 QG1 VAL 118 - HG LEU 98 far 4 86 5 - 4.3-9.1 QD1 LEU 49 - HG LEU 48 far 0 100 0 - 5.3-7.7 QD1 LEU 123 - HG LEU 48 far 0 90 0 - 5.8-11.0 QD2 LEU 123 - HG LEU 48 far 0 65 0 - 6.2-10.6 QD1 LEU 22 - HG LEU 48 far 0 78 0 - 6.4-26.4 QG2 ILE 37 - HG LEU 48 far 0 71 0 - 7.0-14.1 QD1 LEU 119 - HG LEU 98 far 0 56 0 - 7.6-15.1 QD1 LEU 62 - HG LEU 48 far 0 100 0 - 7.8-13.8 QG2 VAL 20 - HG LEU 98 far 0 86 0 - 8.9-33.1 QG2 VAL 63 - HG LEU 48 far 0 100 0 - 9.4-15.5 Violated in 0 structures by 0.00 A. Peak 1519 from aliabs.peaks (8.30, 1.71, 26.79 ppm; 4.95 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 49 + HG LEU 48 OK 100 100 100 100 2.7-4.8 6600=100, 6589/6586=81...(42) H SER 99 + HG LEU 98 OK 95 95 100 100 3.6-4.9 3191/2.1=81, 3166/3.0=74...(17) H LEU 96 + HG LEU 98 OK 62 67 95 98 4.8-7.5 3.6/11468=73...(20) H ALA 21 - HG LEU 48 far 0 96 0 - 6.6-28.2 H LEU 69 - HG LEU 48 far 0 100 0 - 6.8-11.8 H VAL 126 - HG LEU 98 far 0 76 0 - 9.2-12.5 H ALA 110 - HG LEU 98 far 0 88 0 - 9.5-24.5 Violated in 0 structures by 0.00 A. Peak 1520 from aliabs.peaks (8.05, 0.90, 23.93 ppm; 5.05 A): 4 out of 8 assignments used, quality = 1.00: * H LEU 48 + QD2 LEU 48 OK 100 100 100 100 1.7-4.0 5.0=100 H LEU 48 + QD1 LEU 48 OK 66 66 100 100 1.9-4.4 4.8=100 H ALA 52 + QD2 LEU 48 OK 56 78 75 96 3.4-6.9 2.9/9231=37...(17) H ALA 52 + QD1 LEU 48 OK 41 45 100 92 4.8-6.3 1504/3.1=27, ~9231=27...(18) H CYS 125 - QD2 LEU 98 poor 18 73 25 - 5.8-10.5 H SER 130 - QD1 LEU 48 far 0 58 0 - 7.7-11.8 H SER 130 - QD2 LEU 48 far 0 95 0 - 8.8-11.6 H CYS 125 - QD1 LEU 48 far 0 64 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 1521 from aliabs.peaks (4.10, 0.90, 23.93 ppm; 3.61 A): 7 out of 12 assignments used, quality = 1.00: * HA LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.7-3.9 3.8=85, 3.6/1527=31...(26) HA CYS 45 + QD2 LEU 48 OK 78 93 85 98 1.7-5.4 1438/3.1=39, 1437/3.1=38...(19) HA LEU 98 + QD2 LEU 98 OK 73 73 100 100 1.8-3.4 4.0=75, ~3176=30...(25) HA LEU 48 + QD1 LEU 48 OK 66 66 100 99 1.9-3.6 4.0=71, ~6586=30...(31) HA LEU 49 + QD2 LEU 48 OK 59 99 60 99 2.0-5.5 2.9/1527=36, 3.7/9205=34...(43) HA CYS 45 + QD1 LEU 48 OK 55 57 100 97 1.8-4.3 1438/3.1=39, 1437/3.1=38...(19) HA LEU 49 + QD1 LEU 48 OK 34 64 55 98 2.6-5.8 ~6600=24, ~1527=20...(44) HA GLN 101 - QD2 LEU 98 far 0 73 0 - 5.8-6.8 HA ILE 32 - QD2 LEU 48 far 0 99 0 - 5.9-17.1 HA ILE 32 - QD1 LEU 48 far 0 64 0 - 7.7-15.2 HA GLN 104 - QD2 LEU 98 far 0 68 0 - 9.8-11.3 HA PHE 89 - QD2 LEU 98 far 0 64 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1522 from aliabs.peaks (1.78, 0.90, 23.93 ppm; 4.10 A): 3 out of 15 assignments used, quality = 1.00: * HB2 LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 98 + QD2 LEU 98 OK 75 75 100 100 2.4-3.1 3.1=100 HB2 LEU 48 + QD1 LEU 48 OK 66 66 100 100 2.0-3.2 3.1=100 HB3 LEU 122 - QD2 LEU 98 poor 5 69 30 23 3.2-8.7 11471/11478=6...(7) HB3 LYS 19 - QD2 LEU 48 far 3 63 5 - 4.4-26.9 HB3 LYS 19 - QD1 LEU 48 far 2 34 5 - 1.9-26.8 HB3 LEU 103 - QD2 LEU 98 far 0 65 0 - 6.4-9.0 HG LEU 100 - QD2 LEU 98 far 0 73 0 - 6.8-8.6 HB2 ARG 23 - QD2 LEU 98 far 0 42 0 - 6.8-29.4 HG LEU 100 - QD1 LEU 48 far 0 64 0 - 7.0-16.6 HB2 ARG 23 - QD1 LEU 48 far 0 36 0 - 7.0-22.0 HB3 LEU 122 - QD2 LEU 48 far 0 97 0 - 8.1-13.3 HG LEU 100 - QD2 LEU 48 far 0 99 0 - 8.2-14.9 HB2 ARG 23 - QD2 LEU 48 far 0 65 0 - 8.4-21.4 HB3 LEU 122 - QD1 LEU 48 far 0 60 0 - 9.0-14.7 Violated in 0 structures by 0.00 A. Peak 1523 from aliabs.peaks (1.89, 0.90, 23.93 ppm; 3.81 A): 4 out of 19 assignments used, quality = 1.00: * HB3 LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 48 + QD1 LEU 48 OK 66 66 100 100 2.0-3.2 3.1=100 HB3 LEU 49 + QD2 LEU 48 OK 44 81 55 99 3.5-6.3 3.0/9205=46, 3.9/1527=31...(81) HB3 LEU 49 + QD1 LEU 48 OK 21 46 45 99 3.2-7.2 ~9205=24, 3.0/9205=18...(83) HB3 LYS 36 - QD2 LEU 48 far 5 97 5 - 5.2-15.3 HB3 LYS 36 - QD1 LEU 48 far 3 61 5 - 5.3-13.7 HB2 GLU 40 - QD2 LEU 48 far 0 100 0 - 7.2-13.3 HB3 LEU 123 - QD2 LEU 48 far 0 93 0 - 7.6-11.4 HB3 LEU 123 - QD1 LEU 48 far 0 57 0 - 7.6-11.9 HB3 LEU 119 - QD2 LEU 98 far 0 54 0 - 8.0-13.9 HB2 MET 11 - QD1 LEU 48 far 0 41 0 - 8.3-32.3 HB3 LEU 123 - QD2 LEU 98 far 0 65 0 - 8.4-13.5 HB2 ARG 90 - QD2 LEU 98 far 0 57 0 - 8.5-12.4 HB2 GLU 40 - QD1 LEU 48 far 0 65 0 - 8.5-11.6 HB3 LEU 119 - QD2 LEU 48 far 0 81 0 - 9.1-15.2 HB3 LEU 119 - QD1 LEU 48 far 0 46 0 - 9.6-15.6 HB2 PRO 113 - QD2 LEU 48 far 0 90 0 - 9.8-19.8 HB2 MET 11 - QD2 LEU 48 far 0 73 0 - 9.8-32.0 HB3 LEU 49 - QD2 LEU 98 far 0 54 0 - 9.9-15.6 Violated in 0 structures by 0.00 A. Peak 1524 from aliabs.peaks (1.71, 0.90, 23.93 ppm; 2.93 A): 3 out of 12 assignments used, quality = 1.00: * HG LEU 48 + QD2 LEU 48 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 98 + QD2 LEU 98 OK 75 75 100 100 2.1-2.1 2.1=100 HG LEU 48 + QD1 LEU 48 OK 66 66 100 100 2.1-2.1 2.1=100 HB2 LEU 70 - QD2 LEU 98 far 0 72 0 - 5.8-9.1 HB2 LEU 43 - QD2 LEU 48 far 0 97 0 - 6.6-10.5 HB3 LEU 70 - QD2 LEU 98 far 0 75 0 - 6.9-8.9 HB2 LEU 43 - QD1 LEU 48 far 0 61 0 - 6.9-10.3 HB2 LEU 70 - QD1 LEU 48 far 0 63 0 - 7.3-14.3 HB3 LEU 70 - QD1 LEU 48 far 0 66 0 - 7.4-14.9 HG3 ARG 90 - QD2 LEU 98 far 0 48 0 - 7.9-12.3 HB2 LEU 70 - QD2 LEU 48 far 0 99 0 - 9.2-12.4 HB3 LEU 70 - QD2 LEU 48 far 0 100 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 1525 from aliabs.peaks (0.90, 0.90, 23.93 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 48 + QD2 LEU 48 OK 100 100 - 100 QD2 LEU 98 + QD2 LEU 98 OK 67 67 - 100 QD1 LEU 48 + QD1 LEU 48 OK 57 57 - 100 Peak 1526 from aliabs.peaks (0.91, 0.90, 23.93 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: QD2 LEU 48 + QD2 LEU 48 OK 93 93 - 100 QD1 LEU 48 + QD1 LEU 48 OK 66 66 - 100 QD2 LEU 98 + QD2 LEU 98 OK 42 42 - 100 Reference assignment not found: QD1 LEU 48 - QD2 LEU 48 Peak 1527 from aliabs.peaks (8.30, 0.90, 23.93 ppm; 4.85 A): 4 out of 19 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 48 OK 100 100 100 100 1.9-3.3 6600/2.1=77, 6598/3.1=76...(57) H SER 99 + QD2 LEU 98 OK 71 71 100 100 1.3-4.2 3166/3.1=70, 7375/4.8=57...(23) H LEU 49 + QD1 LEU 48 OK 66 66 100 100 1.5-4.3 6600/2.1=77, 6598/3.1=76...(60) H LEU 96 + QD2 LEU 98 OK 41 46 100 90 2.6-5.8 3.6/11470=35...(24) H LEU 69 - QD2 LEU 48 poor 15 100 25 58 5.5-9.2 11068/10957=34...(9) H VAL 126 - QD2 LEU 98 poor 13 54 25 - 6.1-10.3 H LEU 69 - QD1 LEU 48 poor 9 66 40 36 4.4-10.6 11068/10906=16...(7) H ALA 21 - QD1 LEU 48 far 3 59 5 - 5.1-23.5 H LEU 43 - QD2 LEU 48 far 0 95 0 - 6.5-10.6 H ALA 21 - QD2 LEU 48 far 0 96 0 - 7.0-23.4 H LEU 43 - QD1 LEU 48 far 0 58 0 - 7.4-9.7 H VAL 126 - QD1 LEU 48 far 0 46 0 - 7.7-12.7 H TYR 72 - QD1 LEU 48 far 0 46 0 - 8.2-12.9 H ALA 110 - QD2 LEU 98 far 0 64 0 - 8.4-20.2 H TYR 72 - QD2 LEU 48 far 0 81 0 - 8.7-12.7 H VAL 126 - QD2 LEU 48 far 0 81 0 - 8.8-11.5 H GLU 40 - QD2 LEU 48 far 0 95 0 - 9.0-14.3 H ASP 131 - QD1 LEU 48 far 0 34 0 - 9.4-12.6 H ASP 131 - QD2 LEU 48 far 0 63 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 1528 from aliabs.peaks (8.05, 0.91, 24.15 ppm; 3.84 A): 4 out of 11 assignments used, quality = 1.00: * H LEU 48 + QD1 LEU 48 OK 100 100 100 100 1.9-4.4 6586/2.1=75, 6585/3.1=66...(32) H LEU 48 + QD2 LEU 48 OK 66 66 100 100 1.7-4.0 6586/2.1=75, 6585/3.1=66...(28) H ALA 52 + QD1 LEU 48 OK 31 78 50 80 4.8-6.3 2.9/9231=17, 1504/3.1=15...(17) H CYS 125 + QD1 LEU 123 OK 21 50 45 94 4.6-6.6 3979/10372=38, ~7765=27...(13) H ALA 52 - QD2 LEU 48 poor 18 45 50 81 3.4-6.9 2.9/9231=29...(16) H ALA 52 - QD1 LEU 123 poor 15 34 45 - 3.7-7.3 H LEU 48 - QD1 LEU 123 far 0 52 0 - 6.4-9.5 H SER 130 - QD1 LEU 123 far 0 45 0 - 7.0-10.6 H SER 130 - QD1 LEU 48 far 0 95 0 - 7.7-11.8 H SER 130 - QD2 LEU 48 far 0 58 0 - 8.8-11.6 H CYS 125 - QD1 LEU 48 far 0 99 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 1529 from aliabs.peaks (4.10, 0.91, 24.15 ppm; 2.77 A): 6 out of 12 assignments used, quality = 1.00: * HA LEU 48 + QD1 LEU 48 OK 92 100 100 92 1.9-3.6 4.0=32, 2.9/1528=23...(28) HA CYS 45 + QD1 LEU 48 OK 77 93 100 83 1.8-4.3 1438/3.1=21, 9164=21...(16) HA LEU 48 + QD2 LEU 48 OK 60 66 100 91 2.7-3.9 3.8=39, ~6586=16...(25) HA LEU 49 + QD1 LEU 48 OK 44 99 50 89 2.6-5.8 2.9/1535=14, ~6600=12...(42) HA LEU 49 + QD2 LEU 48 OK 31 64 55 90 2.0-5.5 2.9/1527=13, 3.7/9205=13...(41) HA CYS 45 + QD2 LEU 48 OK 25 57 55 82 1.7-5.4 1438/3.1=21, 1437/3.1=20...(16) HA LEU 49 - QD1 LEU 123 poor 14 50 45 60 3.1-7.5 3153/2.1=9, 3.0/1562=7...(24) HA ILE 32 - QD2 LEU 48 far 0 64 0 - 5.9-17.1 HA LEU 48 - QD1 LEU 123 far 0 52 0 - 6.6-9.4 HA CYS 45 - QD1 LEU 123 far 0 44 0 - 7.6-11.4 HA ILE 32 - QD1 LEU 48 far 0 99 0 - 7.7-15.2 HA3 GLY 114 - QD1 LEU 123 far 0 33 0 - 7.8-16.1 Violated in 0 structures by 0.00 A. Peak 1530 from aliabs.peaks (1.78, 0.91, 24.15 ppm; 3.09 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 LEU 48 + QD2 LEU 48 OK 66 66 100 99 2.0-3.2 3.1=97, 6584/5.0=21...(23) HB3 LYS 19 - QD1 LEU 48 far 3 63 5 - 1.9-26.8 HB3 LYS 19 - QD2 LEU 48 far 2 34 5 - 4.4-26.9 HB3 LEU 122 - QD1 LEU 123 far 0 47 0 - 6.4-7.5 HB2 LEU 48 - QD1 LEU 123 far 0 52 0 - 6.4-10.6 HG LEU 100 - QD1 LEU 48 far 0 99 0 - 7.0-16.6 HG LEU 100 - QD1 LEU 123 far 0 51 0 - 7.0-10.7 HB2 ARG 23 - QD1 LEU 48 far 0 65 0 - 7.0-22.0 HB3 LEU 122 - QD2 LEU 48 far 0 60 0 - 8.1-13.3 HG LEU 100 - QD2 LEU 48 far 0 64 0 - 8.2-14.9 HB2 ARG 23 - QD2 LEU 48 far 0 36 0 - 8.4-21.4 HB3 LEU 122 - QD1 LEU 48 far 0 97 0 - 9.0-14.7 HB3 LEU 103 - QD1 LEU 123 far 0 44 0 - 9.2-11.3 HB2 ARG 23 - QD1 LEU 123 far 0 28 0 - 9.7-25.4 Violated in 0 structures by 0.00 A. Peak 1531 from aliabs.peaks (1.89, 0.91, 24.15 ppm; 2.99 A): 5 out of 20 assignments used, quality = 1.00: * HB3 LEU 48 + QD1 LEU 48 OK 98 100 100 98 2.0-3.2 3.1=91, 6585/1528=24...(23) HB3 LEU 48 + QD2 LEU 48 OK 64 66 100 97 2.1-3.2 3.1=88, 1.8/1530=26...(24) HB3 LEU 123 + QD1 LEU 123 OK 43 44 100 98 1.9-3.1 3.2=83, 3947/2.1=49...(15) HB3 LEU 49 + QD1 LEU 48 OK 33 81 45 91 3.2-7.2 3.9/1535=14, ~9205=13...(63) HB3 LEU 49 + QD2 LEU 48 OK 23 46 55 89 3.5-6.3 3.0/9205=19, 3.9/1527=12...(56) HB3 LEU 49 - QD1 LEU 123 poor 18 36 50 - 1.8-6.5 HB3 LEU 119 - QD1 LEU 123 far 2 36 5 - 4.4-7.9 HB3 LYS 36 - QD2 LEU 48 far 0 61 0 - 5.2-15.3 HB3 LYS 36 - QD1 LEU 48 far 0 97 0 - 5.3-13.7 HB3 LEU 48 - QD1 LEU 123 far 0 52 0 - 6.4-10.3 HB2 GLU 40 - QD2 LEU 48 far 0 65 0 - 7.2-13.3 HB3 LEU 123 - QD2 LEU 48 far 0 57 0 - 7.6-11.4 HB3 LEU 123 - QD1 LEU 48 far 0 93 0 - 7.6-11.9 HB2 PRO 113 - QD1 LEU 123 far 0 42 0 - 7.9-16.0 HB2 MET 11 - QD1 LEU 48 far 0 73 0 - 8.3-32.3 HB2 GLU 40 - QD1 LEU 48 far 0 100 0 - 8.5-11.6 HB3 LEU 119 - QD2 LEU 48 far 0 46 0 - 9.1-15.2 HB3 LEU 119 - QD1 LEU 48 far 0 81 0 - 9.6-15.6 HB2 PRO 113 - QD2 LEU 48 far 0 54 0 - 9.8-19.8 HB2 MET 11 - QD2 LEU 48 far 0 41 0 - 9.8-32.0 Violated in 0 structures by 0.00 A. Peak 1532 from aliabs.peaks (1.71, 0.91, 24.15 ppm; 2.79 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 48 + QD1 LEU 48 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 48 + QD2 LEU 48 OK 66 66 100 100 2.1-2.1 2.1=100 HG LEU 48 - QD1 LEU 123 far 0 52 0 - 5.8-11.0 HB2 LEU 43 - QD2 LEU 48 far 0 61 0 - 6.6-10.5 HB2 LEU 43 - QD1 LEU 48 far 0 97 0 - 6.9-10.3 HB2 LEU 70 - QD1 LEU 48 far 0 99 0 - 7.3-14.3 HB3 LEU 70 - QD1 LEU 48 far 0 100 0 - 7.4-14.9 HB2 LEU 70 - QD1 LEU 123 far 0 49 0 - 8.6-12.0 HB2 LEU 70 - QD2 LEU 48 far 0 63 0 - 9.2-12.4 HB3 LEU 70 - QD1 LEU 123 far 0 52 0 - 9.3-12.1 HB3 LEU 70 - QD2 LEU 48 far 0 66 0 - 9.5-12.8 HB2 LEU 43 - QD1 LEU 123 far 0 48 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 1533 from aliabs.peaks (0.90, 0.91, 24.15 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 48 + QD1 LEU 48 OK 93 93 - 100 QD2 LEU 48 + QD2 LEU 48 OK 66 66 - 100 Reference assignment not found: QD2 LEU 48 - QD1 LEU 48 Peak 1534 from aliabs.peaks (0.91, 0.91, 24.15 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 48 + QD1 LEU 48 OK 100 100 - 100 QD2 LEU 48 + QD2 LEU 48 OK 57 57 - 100 QD1 LEU 123 + QD1 LEU 123 OK 42 42 - 100 Peak 1535 from aliabs.peaks (8.30, 0.91, 24.15 ppm; 4.05 A): 2 out of 22 assignments used, quality = 1.00: * H LEU 49 + QD1 LEU 48 OK 100 100 100 100 1.5-4.3 6598/3.1=57, 6600/2.1=54...(60) H LEU 49 + QD2 LEU 48 OK 66 66 100 100 1.9-3.3 6598/3.1=56, 6600/2.1=54...(56) H VAL 126 - QD1 LEU 123 poor 20 36 55 - 4.7-6.9 H LEU 49 - QD1 LEU 123 poor 18 52 40 84 4.4-7.6 3.9/1562=12...(29) H LEU 69 - QD1 LEU 48 poor 8 100 25 30 4.4-10.6 11068/11848=17...(6) H ALA 21 - QD1 LEU 48 far 5 96 5 - 5.1-23.5 H LEU 69 - QD2 LEU 48 far 3 66 5 - 5.5-9.2 H LEU 43 - QD2 LEU 48 far 0 58 0 - 6.5-10.6 H ALA 21 - QD2 LEU 48 far 0 59 0 - 7.0-23.4 H LEU 43 - QD1 LEU 48 far 0 95 0 - 7.4-9.7 H ASP 131 - QD1 LEU 123 far 0 26 0 - 7.7-11.5 H VAL 126 - QD1 LEU 48 far 0 81 0 - 7.7-12.7 H LEU 69 - QD1 LEU 123 far 0 52 0 - 8.1-11.2 H TYR 72 - QD1 LEU 48 far 0 81 0 - 8.2-12.9 H LEU 96 - QD1 LEU 123 far 0 30 0 - 8.6-11.1 H TYR 72 - QD2 LEU 48 far 0 46 0 - 8.7-12.7 H VAL 126 - QD2 LEU 48 far 0 46 0 - 8.8-11.5 H GLU 40 - QD2 LEU 48 far 0 58 0 - 9.0-14.3 H LEU 43 - QD1 LEU 123 far 0 45 0 - 9.3-13.7 H ASP 131 - QD1 LEU 48 far 0 63 0 - 9.4-12.6 H ASP 131 - QD2 LEU 48 far 0 34 0 - 9.6-12.9 H SER 99 - QD1 LEU 123 far 0 49 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 1536 from aliabs.peaks (8.30, 4.11, 57.64 ppm; 4.44 A): 3 out of 12 assignments used, quality = 1.00: * H LEU 49 + HA LEU 49 OK 100 100 100 100 2.7-2.9 2.9=100 H SER 99 + HA LEU 98 OK 81 81 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 48 OK 57 57 100 100 3.5-3.6 3.6=100 H ALA 21 - HA LEU 48 far 0 51 0 - 6.2-31.9 H LEU 96 - HA LEU 98 far 0 54 0 - 6.9-7.4 H LEU 69 - HA LEU 49 far 0 100 0 - 7.1-10.7 H ALA 110 - HA LEU 98 far 0 73 0 - 8.2-21.7 H VAL 126 - HA LEU 49 far 0 81 0 - 9.1-11.4 H LEU 69 - HA LEU 48 far 0 57 0 - 9.3-13.2 H ALA 21 - HA LEU 49 far 0 96 0 - 9.4-29.1 H ALA 21 - HA LEU 98 far 0 78 0 - 9.7-41.2 H LEU 43 - HA LEU 48 far 0 50 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1537 from aliabs.peaks (4.11, 4.11, 57.64 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 49 + HA LEU 49 OK 100 100 - 100 HA LEU 98 + HA LEU 98 OK 85 85 - 100 HA LEU 48 + HA LEU 48 OK 55 55 - 100 Peak 1538 from aliabs.peaks (1.50, 4.11, 57.64 ppm; 4.01 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 49 + HA LEU 49 OK 100 100 100 100 2.3-2.6 3.0=100 QB ALA 52 + HA LEU 49 OK 85 89 100 96 2.2-2.7 9247/2.9=42, 1631=35...(21) QB ALA 52 + HA LEU 48 OK 40 45 100 88 4.2-5.3 9247/3.6=37, 1631=24...(14) HB2 LEU 53 - HA LEU 49 far 4 71 5 - 5.4-7.6 HB2 LEU 49 - HA LEU 48 far 0 57 0 - 5.7-6.0 HG LEU 69 - HA LEU 49 far 0 85 0 - 6.9-10.1 HG LEU 69 - HA LEU 48 far 0 42 0 - 8.1-11.9 HB2 LEU 53 - HA LEU 48 far 0 34 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 1539 from aliabs.peaks (1.91, 4.11, 57.64 ppm; 4.20 A): 4 out of 11 assignments used, quality = 1.00: * HB3 LEU 49 + HA LEU 49 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 LEU 48 + HA LEU 49 OK 80 81 100 99 4.1-5.4 ~6598=42, 6599/2.9=28...(39) HG LEU 53 + HA LEU 49 OK 55 81 70 98 2.6-6.9 2.1/1541=26, 1583/4.1=22...(34) HB3 LEU 48 + HA LEU 48 OK 40 40 100 100 2.2-3.0 3.0=100 HB3 LEU 49 - HA LEU 48 far 0 57 0 - 6.6-6.6 HB3 LYS 95 - HA LEU 98 far 0 54 0 - 6.7-8.2 HG LEU 53 - HA LEU 48 far 0 40 0 - 7.1-10.1 HB2 LYS 95 - HA LEU 98 far 0 60 0 - 7.7-8.8 HB2 GLU 30 - HA LEU 49 far 0 73 0 - 8.6-21.9 HB2 GLU 30 - HA LEU 48 far 0 35 0 - 8.8-24.4 HB2 PRO 113 - HA LEU 49 far 0 100 0 - 9.9-19.0 Violated in 0 structures by 0.00 A. Peak 1540 from aliabs.peaks (1.57, 4.11, 57.64 ppm; 4.18 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 49 + HA LEU 49 OK 100 100 100 100 3.6-3.8 3.7=100 HG LEU 49 + HA LEU 48 OK 53 57 95 96 5.1-5.9 6606/3.6=50, 9205/3.8=43...(25) HG LEU 123 + HA LEU 49 OK 34 99 40 86 4.9-8.9 1560/3.0=24, 1584/4.1=18...(23) HB2 LEU 119 - HA LEU 49 far 0 65 0 - 7.1-14.1 HB2 LEU 103 - HA LEU 98 far 0 84 0 - 7.3-8.9 HG2 ARG 23 - HA LEU 98 far 0 81 0 - 7.5-36.6 HG2 ARG 23 - HA LEU 48 far 0 54 0 - 8.3-31.3 HG LEU 123 - HA LEU 48 far 0 56 0 - 8.9-12.8 HB2 LEU 22 - HA LEU 48 far 0 29 0 - 9.1-30.8 HG LEU 103 - HA LEU 98 far 0 76 0 - 9.4-10.9 HG2 ARG 23 - HA LEU 49 far 0 98 0 - 9.9-27.3 Violated in 0 structures by 0.00 A. Peak 1541 from aliabs.peaks (0.80, 4.11, 57.64 ppm; 3.74 A): 2 out of 25 assignments used, quality = 1.00: * QD2 LEU 49 + HA LEU 49 OK 100 100 100 100 3.9-4.1 3.9=87, 2.1/1581=59...(21) QD1 LEU 53 + HA LEU 49 OK 46 100 50 93 3.7-6.8 1674/3.0=20, 6621/3.6=18...(29) QD2 LEU 119 - HA LEU 49 far 10 99 10 - 4.9-14.8 QD1 LEU 70 - HA LEU 98 far 4 73 5 - 5.0-7.9 QD2 LEU 122 - HA LEU 49 far 0 97 0 - 5.6-9.4 QD1 ILE 32 - HA LEU 49 far 0 60 0 - 5.6-14.3 QD1 LEU 122 - HA LEU 49 far 0 98 0 - 5.8-8.5 QD1 LEU 96 - HA LEU 98 far 0 56 0 - 5.9-8.4 QD2 LEU 49 - HA LEU 48 far 0 57 0 - 6.0-6.5 QD1 ILE 32 - HA LEU 48 far 0 28 0 - 6.4-15.4 QD1 LEU 53 - HA LEU 48 far 0 57 0 - 6.7-9.3 QD1 LEU 70 - HA LEU 49 far 0 92 0 - 6.9-13.6 QD2 LEU 122 - HA LEU 98 far 0 79 0 - 7.0-9.6 QD1 ILE 37 - HA LEU 49 far 0 60 0 - 7.0-15.6 QD1 LEU 122 - HA LEU 98 far 0 81 0 - 7.1-9.7 QD1 LEU 103 - HA LEU 98 far 0 72 0 - 7.9-9.6 QG1 VAL 63 - HA LEU 49 far 0 92 0 - 8.1-11.4 QD1 ILE 37 - HA LEU 48 far 0 28 0 - 8.2-14.9 QD1 LEU 96 - HA LEU 49 far 0 73 0 - 8.6-12.2 QD2 LEU 119 - HA LEU 48 far 0 54 0 - 8.6-18.4 QD2 LEU 119 - HA LEU 98 far 0 82 0 - 8.6-13.4 QG1 VAL 63 - HA LEU 98 far 0 73 0 - 8.8-11.1 QD1 LEU 122 - HA LEU 48 far 0 54 0 - 9.1-11.9 QD2 LEU 122 - HA LEU 48 far 0 52 0 - 9.1-13.2 QD1 LEU 103 - HA LEU 49 far 0 90 0 - 9.2-14.4 Violated in 14 structures by 0.14 A. Peak 1542 from aliabs.peaks (0.91, 4.11, 57.64 ppm; 3.42 A): 6 out of 28 assignments used, quality = 1.00: * QD1 LEU 49 + HA LEU 49 OK 98 100 100 98 3.3-3.8 1581=73, 2.1/1541=40...(22) QD1 LEU 48 + HA LEU 48 OK 56 57 100 99 1.9-3.6 4.0=61, 1528/2.9=36...(30) QD1 LEU 48 + HA LEU 49 OK 54 100 55 98 2.6-5.8 1535/2.9=24, ~6600=21...(45) QD2 LEU 48 + HA LEU 49 OK 48 89 55 98 2.0-5.5 1527/2.9=27, 9205/3.7=25...(43) QD2 LEU 48 + HA LEU 48 OK 45 45 100 99 2.7-3.9 3.8=72, ~6586=27...(26) QD1 LEU 123 + HA LEU 49 OK 40 95 50 84 3.1-7.5 11874/4.8=19, 1581=13...(28) QD1 LEU 62 - HA LEU 49 far 5 100 5 - 4.2-8.7 QG1 VAL 20 - HA LEU 49 far 5 100 5 - 3.8-26.0 QG2 VAL 20 - HA LEU 49 far 4 85 5 - 4.4-23.7 QG1 VAL 118 - HA LEU 98 far 3 66 5 - 4.5-7.9 QG1 VAL 20 - HA LEU 48 far 3 57 5 - 1.9-25.9 QG2 VAL 20 - HA LEU 48 far 2 42 5 - 3.8-26.0 QG1 VAL 57 - HA LEU 49 far 0 57 0 - 5.2-7.8 QD1 LEU 49 - HA LEU 48 far 0 57 0 - 5.6-6.1 QD1 LEU 119 - HA LEU 98 far 0 51 0 - 6.6-14.0 QD1 LEU 123 - HA LEU 48 far 0 50 0 - 6.6-9.4 QG2 VAL 20 - HA LEU 98 far 0 66 0 - 6.7-32.6 QD1 LEU 22 - HA LEU 48 far 0 34 0 - 7.0-27.6 QD1 LEU 119 - HA LEU 49 far 0 68 0 - 7.1-13.1 QG1 VAL 118 - HA LEU 49 far 0 85 0 - 7.2-13.6 QG2 VAL 63 - HA LEU 49 far 0 100 0 - 7.6-11.2 QG1 VAL 57 - HA LEU 48 far 0 26 0 - 7.7-9.7 QG2 ILE 37 - HA LEU 49 far 0 78 0 - 8.0-15.8 QD1 LEU 62 - HA LEU 48 far 0 57 0 - 8.1-12.5 QG1 VAL 20 - HA LEU 98 far 0 84 0 - 8.8-35.2 QG2 VAL 63 - HA LEU 98 far 0 85 0 - 9.1-11.0 QG2 ILE 37 - HA LEU 48 far 0 38 0 - 9.3-15.7 QD1 LEU 62 - HA LEU 98 far 0 85 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 1544 from aliabs.peaks (8.03, 4.11, 57.64 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: * H ALA 52 + HA LEU 49 OK 100 100 100 100 3.0-3.4 6645/3.6=91, ~9247=74...(35) H LEU 48 + HA LEU 49 OK 78 78 100 100 5.2-5.5 6589/2.9=68, 6590/3.6=65...(18) H ALA 52 + HA LEU 48 OK 57 57 100 100 4.0-5.0 1620/1615=96...(17) H LEU 48 + HA LEU 48 OK 38 38 100 100 2.8-2.9 2.9=100 H VAL 57 - HA LEU 49 far 4 85 5 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 1545 from aliabs.peaks (1.48, 4.11, 57.64 ppm; 3.99 A): 3 out of 4 assignments used, quality = 1.00: * QB ALA 52 + HA LEU 49 OK 97 100 100 97 2.2-2.7 9247/2.9=51, 1631=43...(21) HB2 LEU 49 + HA LEU 49 OK 89 89 100 100 2.3-2.6 3.0=100 QB ALA 52 + HA LEU 48 OK 52 57 100 91 4.2-5.3 9247/3.6=45, 1631=29...(14) HB2 LEU 49 - HA LEU 48 far 0 45 0 - 5.7-6.0 Violated in 0 structures by 0.00 A. Peak 1546 from aliabs.peaks (3.89, 1.50, 41.17 ppm; 5.09 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 46 + HB2 LEU 49 OK 100 100 100 100 3.8-4.8 10898/3.2=77, 10899=62...(21) HB3 SER 50 + HB2 LEU 49 OK 71 95 75 100 5.9-7.3 3.9/6618=39, 1555/1.8=37...(39) HA LEU 70 - HB2 LEU 49 far 0 97 0 - 7.8-11.6 HA ALA 41 - HB2 LEU 49 far 0 78 0 - 9.7-13.0 HA2 GLY 2 - HB2 LEU 49 far 0 100 0 - 9.8-65.8 Violated in 0 structures by 0.00 A. Peak 1547 from aliabs.peaks (8.30, 1.50, 41.17 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.2-3.0 3.9=100 H LEU 69 + HB2 LEU 49 OK 30 100 35 86 4.9-8.3 11056/3.2=37...(13) H VAL 126 - HB2 LEU 49 far 0 81 0 - 7.5-10.6 H TYR 72 - HB2 LEU 49 far 0 81 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 1548 from aliabs.peaks (4.11, 1.50, 41.17 ppm; 4.49 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 48 + HB2 LEU 49 OK 84 99 85 99 5.7-6.0 3.6/6604=36, 2.9/9198=24...(53) HA CYS 45 + HB2 LEU 49 OK 72 99 80 91 4.6-7.1 9155/10959=36...(15) HA ALA 52 - HB2 LEU 49 far 0 73 0 - 7.2-7.8 HA ILE 32 - HB2 LEU 49 far 0 100 0 - 9.2-17.9 Violated in 0 structures by 0.00 A. Peak 1549 from aliabs.peaks (1.50, 1.50, 41.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 49 + HB2 LEU 49 OK 100 100 - 100 Peak 1550 from aliabs.peaks (1.91, 1.50, 41.17 ppm; 4.65 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 49 + HB2 LEU 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 48 + HB2 LEU 49 OK 81 81 100 100 3.9-6.0 4.6/6604=30, ~9205=27...(78) HG LEU 53 + HB2 LEU 49 OK 52 81 65 100 3.1-8.5 1583/3.2=31, 2.1/1552=27...(40) HB2 GLU 30 - HB2 LEU 49 far 0 73 0 - 8.2-19.5 Violated in 0 structures by 0.00 A. Peak 1551 from aliabs.peaks (1.57, 1.50, 41.17 ppm; 4.74 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.5-2.7 3.0=100 HG LEU 123 + HB2 LEU 49 OK 45 99 45 100 4.7-9.3 1560/1.8=37, ~3948=26...(58) HB2 LEU 119 - HB2 LEU 49 far 0 65 0 - 7.8-13.8 HG13 ILE 37 - HB2 LEU 49 far 0 87 0 - 8.3-18.0 HB3 LEU 42 - HB2 LEU 49 far 0 63 0 - 9.8-13.5 HG LEU 103 - HB2 LEU 49 far 0 95 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 1552 from aliabs.peaks (0.80, 1.50, 41.17 ppm; 3.86 A): 2 out of 12 assignments used, quality = 1.00: * QD2 LEU 49 + HB2 LEU 49 OK 100 100 100 100 2.0-2.3 3.2=100 QD1 LEU 53 + HB2 LEU 49 OK 48 100 50 97 3.3-7.5 1674/1.8=28, 1541/3.0=19...(39) QD2 LEU 122 - HB2 LEU 49 far 14 97 15 - 4.6-8.6 QD1 LEU 122 - HB2 LEU 49 poor 10 98 30 35 4.3-8.2 11110/10959=13...(8) QD1 ILE 32 - HB2 LEU 49 far 6 60 10 - 4.5-12.2 QD2 LEU 119 - HB2 LEU 49 far 5 99 5 - 5.2-14.4 QD1 LEU 70 - HB2 LEU 49 far 5 92 5 - 5.2-11.9 QD1 ILE 37 - HB2 LEU 49 far 3 60 5 - 5.2-14.2 QD1 LEU 96 - HB2 LEU 49 far 0 73 0 - 6.8-10.5 QG1 VAL 63 - HB2 LEU 49 far 0 92 0 - 7.2-10.3 QG2 ILE 129 - HB2 LEU 49 far 0 65 0 - 8.8-11.4 QD1 LEU 103 - HB2 LEU 49 far 0 90 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. Peak 1553 from aliabs.peaks (0.91, 1.50, 41.17 ppm; 4.07 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 49 + HB2 LEU 49 OK 100 100 100 100 3.1-3.2 3.2=100 QD2 LEU 48 + HB2 LEU 49 OK 88 89 100 100 2.4-5.3 9205/3.0=42, 1527/3.9=30...(82) QD1 LEU 48 + HB2 LEU 49 OK 55 100 55 100 1.9-6.5 ~9205=28, 1535/3.9=28...(86) QD1 LEU 123 + HB2 LEU 49 OK 47 95 50 100 3.3-7.6 1562/1.8=20, ~3948=19...(61) QD1 LEU 62 - HB2 LEU 49 far 10 100 10 - 4.5-8.5 QG1 VAL 20 - HB2 LEU 49 far 5 100 5 - 5.3-25.7 QG2 VAL 20 - HB2 LEU 49 far 4 85 5 - 5.5-23.3 QG2 ILE 37 - HB2 LEU 49 far 0 78 0 - 5.9-14.1 QG1 VAL 57 - HB2 LEU 49 far 0 57 0 - 6.4-9.5 QG2 VAL 63 - HB2 LEU 49 far 0 100 0 - 6.7-10.4 QG1 VAL 118 - HB2 LEU 49 far 0 85 0 - 6.7-12.6 QD1 LEU 119 - HB2 LEU 49 far 0 68 0 - 7.6-12.5 Violated in 0 structures by 0.00 A. Peak 1555 from aliabs.peaks (3.89, 1.91, 41.17 ppm; 5.59 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 46 + HB3 LEU 49 OK 100 100 100 100 4.5-5.4 10898/3.2=87...(18) HB3 SER 50 + HB3 LEU 49 OK 94 95 100 100 5.3-6.8 3.9/6619=55...(40) HA LEU 70 - HB3 LEU 49 far 0 97 0 - 8.2-11.5 HA2 GLY 2 - HB3 LEU 49 far 0 100 0 - 9.0-66.6 Violated in 0 structures by 0.00 A. Peak 1556 from aliabs.peaks (8.30, 1.91, 41.17 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 49 + HB3 LEU 49 OK 100 100 100 100 3.5-3.6 3.9=100 H LEU 69 - HB3 LEU 49 far 10 100 10 - 6.1-8.9 H VAL 126 - HB3 LEU 49 far 0 81 0 - 6.5-9.6 Violated in 0 structures by 0.00 A. Peak 1557 from aliabs.peaks (4.11, 1.91, 41.17 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.3-2.6 3.0=100 HA CYS 45 - HB3 LEU 49 far 0 99 0 - 6.3-8.5 HA LEU 48 - HB3 LEU 49 far 0 99 0 - 6.6-6.6 HA ALA 52 - HB3 LEU 49 far 0 73 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 1558 from aliabs.peaks (1.50, 1.91, 41.17 ppm; 4.78 A): 4 out of 5 assignments used, quality = 1.00: * HB2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 52 + HB3 LEU 49 OK 87 89 100 98 3.6-4.7 9247/3.9=49, 1631/3.0=31...(25) HB2 LEU 53 + HB3 LEU 49 OK 49 71 70 99 4.3-7.7 3.1/1561=28, 1.8/1658=26...(44) HG LEU 69 + HB3 LEU 49 OK 29 85 35 99 4.9-8.3 2.1/11049=67, ~11061=39...(23) HG LEU 42 - HB3 LEU 49 far 0 97 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 1559 from aliabs.peaks (1.91, 1.91, 41.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 49 + HB3 LEU 49 OK 100 100 - 100 Peak 1560 from aliabs.peaks (1.57, 1.91, 41.17 ppm; 4.43 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 49 + HB3 LEU 49 OK 100 100 100 100 3.0-3.0 3.0=100 HG LEU 123 + HB3 LEU 49 OK 74 99 75 100 3.5-7.6 1584/3.2=24, ~3948=23...(58) HB2 LEU 119 - HB3 LEU 49 far 0 65 0 - 6.5-12.3 HG13 ILE 37 - HB3 LEU 49 far 0 87 0 - 9.4-18.8 HG LEU 103 - HB3 LEU 49 far 0 95 0 - 9.6-14.3 HB2 LEU 103 - HB3 LEU 49 far 0 100 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 1561 from aliabs.peaks (0.80, 1.91, 41.17 ppm; 3.98 A): 3 out of 12 assignments used, quality = 1.00: * QD2 LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.4-2.7 3.2=100 QD1 LEU 53 + HB3 LEU 49 OK 83 100 85 98 1.8-6.1 1552/1.8=24, 1674=24...(42) QD1 LEU 122 + HB3 LEU 49 OK 34 98 70 49 3.9-6.8 11110/10960=31...(9) QD2 LEU 119 - HB3 LEU 49 poor 20 99 20 - 4.4-13.2 QD2 LEU 122 - HB3 LEU 49 poor 12 97 45 27 3.7-7.6 ~1552=6, 1676/11679=5...(10) QD1 LEU 70 - HB3 LEU 49 far 5 92 5 - 5.2-11.7 QD1 ILE 32 - HB3 LEU 49 far 0 60 0 - 5.8-13.3 QD1 ILE 37 - HB3 LEU 49 far 0 60 0 - 6.3-15.1 QD1 LEU 96 - HB3 LEU 49 far 0 73 0 - 6.7-10.2 QG1 VAL 63 - HB3 LEU 49 far 0 92 0 - 7.4-9.9 QD1 LEU 103 - HB3 LEU 49 far 0 90 0 - 8.9-13.0 QG2 ILE 129 - HB3 LEU 49 far 0 65 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 1562 from aliabs.peaks (0.91, 1.91, 41.17 ppm; 3.78 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 49 + HB3 LEU 49 OK 100 100 100 100 2.0-2.3 3.2=100 QD1 LEU 123 + HB3 LEU 49 OK 60 95 65 98 1.8-6.5 2.1/1560=23, ~3948=16...(57) QD2 LEU 48 + HB3 LEU 49 OK 48 89 55 99 3.5-6.3 9205/3.0=37, 1527/3.9=26...(81) QD1 LEU 48 + HB3 LEU 49 OK 45 100 45 99 3.2-7.2 1535/3.9=24, ~9205=24...(83) QD1 LEU 62 - HB3 LEU 49 far 15 100 15 - 4.2-7.2 QG1 VAL 57 - HB3 LEU 49 far 0 57 0 - 5.8-9.4 QG1 VAL 20 - HB3 LEU 49 far 0 100 0 - 5.8-27.0 QG1 VAL 118 - HB3 LEU 49 far 0 85 0 - 5.9-11.7 QG2 VAL 20 - HB3 LEU 49 far 0 85 0 - 6.4-24.7 QG2 ILE 37 - HB3 LEU 49 far 0 78 0 - 6.8-14.7 QD1 LEU 119 - HB3 LEU 49 far 0 68 0 - 6.9-11.4 QG2 VAL 63 - HB3 LEU 49 far 0 100 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 1564 from aliabs.peaks (8.30, 1.57, 26.87 ppm; 4.65 A): 2 out of 17 assignments used, quality = 1.00: * H LEU 49 + HG LEU 49 OK 100 100 100 100 1.6-2.9 6606=100, 6607/2.1=69...(40) H ALA 21 + HG2 ARG 23 OK 36 83 80 55 4.4-8.1 4.3/10713=29...(9) H LEU 69 - HG LEU 49 far 15 100 15 - 5.7-8.6 H ALA 110 - HG LEU 103 far 7 71 10 - 5.3-12.3 H ALA 110 - HG2 ARG 23 far 4 79 5 - 5.6-44.5 H VAL 126 - HG LEU 123 far 4 76 5 - 5.9-7.6 H LEU 49 - HG LEU 123 far 0 98 0 - 6.5-10.5 H VAL 126 - HG LEU 49 far 0 81 0 - 6.8-9.6 H SER 99 - HG LEU 103 far 0 79 0 - 8.1-10.1 H ASP 131 - HG LEU 49 far 0 63 0 - 8.7-10.7 H LEU 43 - HG LEU 49 far 0 95 0 - 8.7-9.7 H GLU 40 - HG2 ARG 23 far 0 82 0 - 8.9-34.2 H SER 99 - HG LEU 123 far 0 95 0 - 9.3-13.2 H LEU 69 - HG LEU 123 far 0 98 0 - 9.3-13.8 H TYR 72 - HG LEU 49 far 0 81 0 - 9.4-11.9 H LEU 49 - HG2 ARG 23 far 0 91 0 - 9.8-28.6 H LEU 96 - HG LEU 123 far 0 67 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 1565 from aliabs.peaks (4.11, 1.57, 26.87 ppm; 4.32 A): 5 out of 19 assignments used, quality = 1.00: * HA LEU 49 + HG LEU 49 OK 100 100 100 100 3.6-3.8 3.7=100 HA LEU 48 + HG LEU 49 OK 92 99 95 98 5.1-5.9 3.6/6606=53, 3.8/9205=46...(26) HA CYS 45 + HG LEU 49 OK 74 99 85 87 4.6-6.1 9155/11025=39...(14) HA GLN 104 + HG LEU 103 OK 64 64 100 99 3.1-5.2 ~7491=40, 11433/2.1=33...(23) HA LEU 49 + HG LEU 123 OK 40 98 45 90 4.9-8.9 3.0/1560=26, 4.1/1584=19...(23) HA GLN 101 - HG LEU 103 far 0 83 0 - 6.3-7.9 HA ILE 32 - HG2 ARG 23 far 0 91 0 - 6.6-22.6 HA ALA 52 - HG LEU 123 far 0 69 0 - 6.7-10.0 HA ALA 52 - HG2 ARG 23 far 0 61 0 - 6.8-31.6 HA LEU 98 - HG2 ARG 23 far 0 91 0 - 7.5-36.6 HA ALA 52 - HG LEU 49 far 0 73 0 - 8.1-8.7 HA LEU 48 - HG2 ARG 23 far 0 88 0 - 8.3-31.3 HA3 GLY 114 - HG LEU 123 far 0 86 0 - 8.4-17.0 HA3 GLY 114 - HG LEU 103 far 0 70 0 - 8.8-13.7 HA GLN 104 - HG2 ARG 23 far 0 71 0 - 8.9-33.8 HA LEU 48 - HG LEU 123 far 0 96 0 - 8.9-12.8 HA LEU 98 - HG LEU 103 far 0 83 0 - 9.4-10.9 HA LEU 49 - HG2 ARG 23 far 0 91 0 - 9.9-27.3 HA CYS 45 - HG2 ARG 23 far 0 88 0 - 10.0-27.7 Violated in 0 structures by 0.00 A. Peak 1566 from aliabs.peaks (1.50, 1.57, 26.87 ppm; 4.74 A): 6 out of 13 assignments used, quality = 1.00: * HB2 LEU 49 + HG LEU 49 OK 100 100 100 100 2.5-2.7 3.0=100 QB ALA 52 + HG LEU 49 OK 83 89 100 94 5.3-5.9 9247/6606=39...(15) HG LEU 69 + HG LEU 49 OK 59 85 70 99 3.6-6.8 ~11061=50, 1574/2.1=44...(21) HB2 LEU 49 + HG LEU 123 OK 44 98 45 100 4.7-9.3 1.8/1560=37, 1551=31...(57) HB2 LEU 53 + HG LEU 123 OK 42 67 85 74 1.9-6.7 ~11846=14, ~11727=14...(18) QB ALA 52 + HG LEU 123 OK 37 84 60 74 4.0-8.6 9231/2.1=19...(16) HB2 LEU 53 - HG LEU 49 far 0 71 0 - 6.4-9.1 QB ALA 52 - HG2 ARG 23 far 0 75 0 - 7.0-24.6 HG LEU 69 - HG LEU 123 far 0 80 0 - 7.1-11.9 HG LEU 42 - HG LEU 49 far 0 97 0 - 7.6-10.4 QB ALA 52 - HG LEU 103 far 0 68 0 - 8.4-13.4 HB2 LEU 53 - HG LEU 103 far 0 52 0 - 9.3-16.7 HB2 LEU 49 - HG LEU 103 far 0 83 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 1567 from aliabs.peaks (1.91, 1.57, 26.87 ppm; 4.08 A): 5 out of 18 assignments used, quality = 1.00: * HB3 LEU 49 + HG LEU 49 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 49 + HG LEU 123 OK 63 98 65 99 3.5-7.6 1560=33, 3.2/1584=22...(57) HB3 LEU 48 + HG LEU 49 OK 43 81 55 97 4.4-6.4 3.1/9205=49, 4.6/6606=38...(32) HG LEU 53 + HG LEU 123 OK 36 76 75 64 1.7-6.9 ~11422=12, ~11639=11...(19) HG LEU 53 + HG LEU 49 OK 35 81 45 98 4.2-8.2 1583/2.1=32, 1575/2.1=22...(40) HB2 GLU 30 - HG2 ARG 23 far 3 61 5 - 5.2-17.3 HB2 PRO 113 - HG LEU 103 far 0 82 0 - 6.3-13.8 HB3 LEU 48 - HG2 ARG 23 far 0 67 0 - 6.5-30.2 HG2 PRO 113 - HG LEU 103 far 0 68 0 - 7.2-15.3 HB2 PRO 113 - HG LEU 123 far 0 97 0 - 7.8-17.0 HG LEU 53 - HG LEU 103 far 0 60 0 - 8.3-17.5 HB2 GLU 40 - HG2 ARG 23 far 0 77 0 - 8.8-35.2 HB2 MET 11 - HG2 ARG 23 far 0 90 0 - 8.9-21.4 HB3 LEU 48 - HG LEU 123 far 0 76 0 - 9.0-13.7 HB2 GLU 30 - HG LEU 103 far 0 54 0 - 9.5-21.9 HB3 LEU 49 - HG LEU 103 far 0 83 0 - 9.6-14.3 HG2 PRO 113 - HG LEU 123 far 0 84 0 - 9.7-18.4 HB2 GLU 30 - HG LEU 49 far 0 73 0 - 9.8-21.2 Violated in 0 structures by 0.00 A. Peak 1568 from aliabs.peaks (1.57, 1.57, 26.87 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 49 + HG LEU 49 OK 100 100 - 100 HG LEU 123 + HG LEU 123 OK 97 97 - 100 HG2 ARG 23 + HG2 ARG 23 OK 86 86 - 100 HG LEU 103 + HG LEU 103 OK 74 74 - 100 Peak 1569 from aliabs.peaks (0.80, 1.57, 26.87 ppm; 2.93 A): 6 out of 35 assignments used, quality = 1.00: * QD2 LEU 49 + HG LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 103 + HG LEU 103 OK 70 70 100 100 2.1-2.1 2.1=100 QG1 VAL 63 + HG LEU 103 OK 50 71 80 88 2.9-4.8 ~11832=15, ~11835=14...(28) QD1 LEU 122 + HG LEU 123 OK 46 95 75 64 2.5-6.3 11422/2.1=16...(21) QD1 LEU 53 + HG LEU 123 OK 38 97 75 52 1.9-5.2 11422/2.1=13...(18) QD2 LEU 119 + HG LEU 123 OK 32 96 55 61 2.3-8.4 3.1/3939=8, 3791=8...(22) QD1 LEU 53 - HG LEU 49 poor 20 100 20 - 3.7-7.3 QD2 LEU 122 - HG LEU 123 poor 17 93 30 62 2.0-6.8 11422/2.1=13...(22) QD2 LEU 122 - HG LEU 103 far 8 77 10 - 4.2-8.1 QD2 LEU 49 - HG LEU 123 far 5 98 5 - 4.4-7.0 QD1 LEU 122 - HG LEU 103 far 4 79 5 - 3.9-7.7 QD2 LEU 119 - HG LEU 103 far 0 80 0 - 4.7-8.7 QD1 LEU 122 - HG LEU 49 far 0 98 0 - 5.0-8.4 QD2 LEU 122 - HG LEU 49 far 0 97 0 - 5.3-9.2 QD1 ILE 32 - HG LEU 49 far 0 60 0 - 5.3-12.4 QD1 ILE 32 - HG2 ARG 23 far 0 49 0 - 5.6-16.6 QD1 LEU 70 - HG LEU 49 far 0 92 0 - 6.0-11.5 QD1 LEU 70 - HG LEU 123 far 0 88 0 - 6.1-12.2 QD1 ILE 37 - HG LEU 49 far 0 60 0 - 6.2-13.2 QD1 LEU 70 - HG LEU 103 far 0 71 0 - 6.3-10.7 QD1 LEU 53 - HG LEU 103 far 0 82 0 - 6.5-14.3 QD1 LEU 96 - HG LEU 49 far 0 73 0 - 6.7-10.0 QD2 LEU 119 - HG LEU 49 far 0 99 0 - 6.8-14.5 QD1 LEU 96 - HG LEU 103 far 0 54 0 - 7.3-11.9 QG2 ILE 129 - HG LEU 49 far 0 65 0 - 7.3-10.0 QG1 VAL 63 - HG LEU 123 far 0 88 0 - 7.6-12.6 QD1 LEU 96 - HG LEU 123 far 0 69 0 - 7.8-10.2 QD1 LEU 103 - HG LEU 123 far 0 86 0 - 7.9-10.5 QG1 VAL 63 - HG2 ARG 23 far 0 79 0 - 8.2-24.2 QD1 ILE 32 - HG LEU 123 far 0 56 0 - 8.3-16.2 QD1 ILE 37 - HG2 ARG 23 far 0 49 0 - 8.3-23.4 QD2 LEU 49 - HG LEU 103 far 0 83 0 - 8.3-12.1 QD1 ILE 32 - HG LEU 103 far 0 43 0 - 8.4-15.6 QD1 ILE 37 - HG LEU 123 far 0 56 0 - 8.5-17.6 QG1 VAL 63 - HG LEU 49 far 0 92 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 1570 from aliabs.peaks (0.91, 1.57, 26.87 ppm; 3.29 A): 11 out of 45 assignments used, quality = 1.00: * QD1 LEU 49 + HG LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 123 + HG LEU 123 OK 91 91 100 100 2.1-2.1 2.1=100 QD2 LEU 48 + HG LEU 49 OK 83 89 100 94 3.1-4.5 9205=56, 10957/11025=20...(34) QG2 VAL 63 + HG LEU 103 OK 80 83 100 97 1.9-3.2 11822/2.1=31...(32) QD1 LEU 49 + HG LEU 123 OK 80 98 85 95 3.1-5.5 1584=29, 3950/2.1=27...(37) QG1 VAL 118 + HG LEU 103 OK 48 64 75 99 3.3-8.1 ~10069=32, 10261=32...(26) QD1 LEU 62 + HG LEU 123 OK 45 98 50 91 2.4-7.9 ~10347=30, ~10347=19...(27) QD1 LEU 48 + HG LEU 49 OK 41 100 45 92 2.1-5.9 2.1/9205=44...(35) QD1 LEU 123 + HG LEU 49 OK 41 95 45 97 3.8-6.5 2.1/3948=33, 3956=20...(45) QG2 VAL 20 + HG2 ARG 23 OK 38 71 70 77 2.2-7.6 2.1/10713=29, ~10713=20...(17) QD1 LEU 62 + HG LEU 103 OK 36 83 60 73 2.6-7.5 11722/2.1=19, ~11823=18...(19) QG1 VAL 20 - HG2 ARG 23 poor 19 90 25 85 2.4-8.1 10713=43, 10713/1.8=35...(18) QD1 LEU 22 - HG2 ARG 23 poor 17 58 30 - 2.6-7.8 QG1 VAL 118 - HG LEU 123 far 4 80 5 - 4.2-8.7 QD1 LEU 119 - HG LEU 123 far 3 64 5 - 4.7-7.7 QG1 VAL 57 - HG LEU 123 far 0 54 0 - 5.4-10.5 QD1 LEU 119 - HG LEU 103 far 0 50 0 - 5.5-8.5 QG2 VAL 112 - HG LEU 103 far 0 77 0 - 5.5-13.6 QG1 VAL 20 - HG LEU 49 far 0 100 0 - 5.6-25.4 QG2 VAL 63 - HG LEU 123 far 0 98 0 - 6.0-11.5 QD2 LEU 48 - HG LEU 123 far 0 84 0 - 6.2-9.8 QG2 ILE 37 - HG LEU 49 far 0 78 0 - 6.2-13.0 QG2 ILE 37 - HG2 ARG 23 far 0 65 0 - 6.2-23.9 QG2 VAL 20 - HG LEU 49 far 0 85 0 - 6.3-24.0 QD1 LEU 48 - HG LEU 123 far 0 98 0 - 6.3-11.1 QD1 LEU 48 - HG2 ARG 23 far 0 90 0 - 6.5-23.4 QD1 LEU 62 - HG LEU 49 far 0 100 0 - 6.5-9.2 QD2 LEU 48 - HG2 ARG 23 far 0 75 0 - 7.2-23.0 QG1 VAL 57 - HG LEU 49 far 0 57 0 - 8.1-10.8 QG1 VAL 118 - HG LEU 49 far 0 85 0 - 8.1-12.4 QD1 LEU 123 - HG LEU 103 far 0 74 0 - 8.2-12.1 QG1 VAL 57 - HG2 ARG 23 far 0 46 0 - 8.3-25.7 QG1 VAL 20 - HG LEU 123 far 0 97 0 - 8.3-30.7 QG1 VAL 118 - HG2 ARG 23 far 0 71 0 - 8.6-27.9 QG2 ILE 37 - HG LEU 123 far 0 74 0 - 8.7-17.7 QG2 VAL 63 - HG LEU 49 far 0 100 0 - 8.8-11.6 QD1 LEU 22 - HG LEU 103 far 0 52 0 - 9.2-29.1 QD1 LEU 119 - HG LEU 49 far 0 68 0 - 9.4-12.8 QD1 LEU 49 - HG LEU 103 far 0 83 0 - 9.4-12.7 QG2 VAL 63 - HG2 ARG 23 far 0 90 0 - 9.6-25.5 QG2 VAL 20 - HG LEU 123 far 0 80 0 - 9.7-28.4 QD1 LEU 48 - HG LEU 103 far 0 83 0 - 9.8-18.7 QD2 LEU 48 - HG LEU 103 far 0 68 0 - 9.8-17.1 QD1 LEU 119 - HG2 ARG 23 far 0 56 0 - 9.9-29.3 QG1 VAL 57 - HG LEU 103 far 0 41 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1572 from aliabs.peaks (8.30, 0.80, 26.84 ppm; 4.11 A): 3 out of 11 assignments used, quality = 1.00: * H LEU 49 + QD2 LEU 49 OK 100 100 100 100 3.1-3.6 6607=78, 6606/2.1=64...(38) H LEU 69 + QD2 LEU 49 OK 94 100 100 94 3.0-5.4 11056=39, 4.9/11061=26...(24) H VAL 126 + QD2 LEU 49 OK 32 81 55 72 4.4-7.0 4.0/11681=22...(15) H TYR 72 - QD2 LEU 49 far 0 81 0 - 6.2-8.3 H LEU 43 - QD2 LEU 49 far 0 95 0 - 7.4-8.8 H ASP 131 - QD2 LEU 49 far 0 63 0 - 7.6-9.0 H LEU 96 - QD2 LEU 49 far 0 71 0 - 7.8-10.2 H GLU 40 - HG13 ILE 80 far 0 54 0 - 8.1-14.5 H LEU 43 - HG13 ILE 80 far 0 54 0 - 8.6-14.6 H ASP 131 - HG13 ILE 80 far 0 31 0 - 8.6-12.8 H SER 99 - QD2 LEU 49 far 0 98 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 1573 from aliabs.peaks (4.11, 0.80, 26.84 ppm; 3.68 A): 3 out of 11 assignments used, quality = 1.00: * HA LEU 49 + QD2 LEU 49 OK 99 100 100 99 3.9-4.1 3.9=83, 1581/2.1=58...(21) HA CYS 45 + QD2 LEU 49 OK 65 99 85 78 4.0-5.9 4.8/10951=22...(18) HA ILE 80 + HG13 ILE 80 OK 48 49 100 99 2.2-4.0 4.1=75, 2472/2.1=53...(21) HA CYS 79 - HG13 ILE 80 far 6 61 10 - 4.6-7.0 HA PHE 89 - HG13 ILE 80 far 0 41 0 - 5.7-8.5 HA LEU 48 - QD2 LEU 49 far 0 99 0 - 6.0-6.5 HA ILE 32 - QD2 LEU 49 far 0 100 0 - 7.9-13.7 HA ALA 52 - QD2 LEU 49 far 0 73 0 - 8.0-8.5 HA GLN 101 - QD2 LEU 49 far 0 100 0 - 8.3-12.3 HA GLN 104 - QD2 LEU 49 far 0 85 0 - 9.4-13.8 HA PHE 89 - QD2 LEU 49 far 0 78 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 1574 from aliabs.peaks (1.50, 0.80, 26.84 ppm; 3.50 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.0-2.3 3.2=100 HG LEU 69 + QD2 LEU 49 OK 81 85 100 95 1.7-4.3 2.1/11061=43, 11036=31...(28) HG3 LYS 86 + HG13 ILE 80 OK 38 43 90 100 1.7-5.9 11225/2.1=49, ~9720=37...(50) QB ALA 52 - QD2 LEU 49 far 0 89 0 - 5.2-5.7 HB2 LEU 53 - QD2 LEU 49 far 0 71 0 - 5.4-8.5 HG LEU 42 - QD2 LEU 49 far 0 97 0 - 5.7-8.6 HG LEU 42 - HG13 ILE 80 far 0 57 0 - 7.9-13.1 Violated in 0 structures by 0.00 A. Peak 1575 from aliabs.peaks (1.91, 0.80, 26.84 ppm; 3.78 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.4-2.7 3.2=100 HG LEU 53 + QD2 LEU 49 OK 38 81 50 95 3.7-8.0 1583/2.1=29, 1667=14...(39) HB3 LEU 48 - QD2 LEU 49 far 8 81 10 - 4.7-6.6 HB2 ARG 90 - HG13 ILE 80 far 0 61 0 - 6.9-9.8 HB2 ARG 135 - HG13 ILE 80 far 0 35 0 - 7.2-11.3 HB3 ARG 84 - HG13 ILE 80 far 0 56 0 - 7.2-11.0 HB2 GLU 30 - QD2 LEU 49 far 0 73 0 - 7.9-16.2 HB2 LYS 95 - QD2 LEU 49 far 0 78 0 - 9.3-12.2 HB2 MET 11 - HG13 ILE 80 far 0 61 0 - 9.7-47.8 HB3 LYS 95 - QD2 LEU 49 far 0 71 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 1576 from aliabs.peaks (1.57, 0.80, 26.84 ppm; 3.23 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 49 + QD2 LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 123 - QD2 LEU 49 far 15 99 15 - 4.4-7.0 HG13 ILE 37 - QD2 LEU 49 far 0 87 0 - 6.5-13.0 HB3 LEU 42 - QD2 LEU 49 far 0 63 0 - 6.5-9.5 HB3 LEU 42 - HG13 ILE 80 far 0 31 0 - 7.0-12.6 HB2 LEU 119 - QD2 LEU 49 far 0 65 0 - 7.3-10.3 HG LEU 103 - QD2 LEU 49 far 0 95 0 - 8.3-12.1 HG13 ILE 37 - HG13 ILE 80 far 0 47 0 - 8.6-18.7 HB2 LEU 103 - QD2 LEU 49 far 0 100 0 - 8.8-12.8 Violated in 0 structures by 0.00 A. Peak 1577 from aliabs.peaks (0.80, 0.80, 26.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 49 + QD2 LEU 49 OK 100 100 - 100 HG13 ILE 80 + HG13 ILE 80 OK 51 51 - 100 Peak 1578 from aliabs.peaks (0.91, 0.80, 26.84 ppm; 2.80 A): 4 out of 13 assignments used, quality = 1.00: * QD1 LEU 49 + QD2 LEU 49 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 48 + QD2 LEU 49 OK 45 89 70 73 3.0-4.6 9205/2.1=27...(29) QD1 LEU 123 + QD2 LEU 49 OK 39 95 45 91 3.4-5.7 2.1/11422=22...(45) QD1 LEU 48 + QD2 LEU 49 OK 34 100 45 75 2.4-6.1 ~9205=16, ~9205=10...(30) QG2 ILE 37 - QD2 LEU 49 far 4 78 5 - 4.0-10.0 QD1 LEU 62 - QD2 LEU 49 far 0 100 0 - 5.1-7.2 QG1 VAL 118 - QD2 LEU 49 far 0 85 0 - 5.5-8.9 QG1 VAL 20 - QD2 LEU 49 far 0 100 0 - 6.0-21.4 QG2 VAL 63 - QD2 LEU 49 far 0 100 0 - 6.1-8.3 QG2 VAL 20 - QD2 LEU 49 far 0 85 0 - 6.3-19.4 QG1 VAL 57 - QD2 LEU 49 far 0 57 0 - 6.8-9.8 QG2 ILE 37 - HG13 ILE 80 far 0 41 0 - 7.2-14.6 QD1 LEU 119 - QD2 LEU 49 far 0 68 0 - 7.6-9.9 Violated in 0 structures by 0.00 A. Peak 1579 from aliabs.peaks (8.66, 0.80, 26.84 ppm; 6.54 A): 1 out of 1 assignment used, quality = 1.00: * H SER 50 + QD2 LEU 49 OK 100 100 100 100 3.9-4.2 3.2/6607=81, ~6606=77...(46) Violated in 0 structures by 0.00 A. Peak 1581 from aliabs.peaks (4.11, 0.91, 23.35 ppm; 3.23 A): 2 out of 13 assignments used, quality = 0.97: * HA LEU 49 + QD1 LEU 49 OK 96 100 100 96 3.3-3.8 4.1=50, 1541/2.1=36...(22) HA GLN 104 + QG2 VAL 63 OK 35 43 85 96 1.8-5.3 3.9/11521=34...(21) HA GLN 101 - QG2 VAL 63 far 0 58 0 - 5.5-7.6 HA LEU 48 - QD1 LEU 49 far 0 99 0 - 5.6-6.1 HA CYS 45 - QD1 LEU 49 far 0 99 0 - 5.7-7.1 HA ALA 52 - QD1 LEU 49 far 0 73 0 - 6.0-7.3 HA3 GLY 114 - QG2 VAL 63 far 0 47 0 - 6.9-12.5 HA LEU 49 - QG2 VAL 63 far 0 58 0 - 7.6-11.2 HA LEU 98 - QG2 VAL 63 far 0 58 0 - 9.1-11.0 HA ALA 52 - QG2 VAL 63 far 0 36 0 - 9.5-13.0 HA PHE 89 - QD1 LEU 49 far 0 78 0 - 9.6-12.3 HA3 GLY 114 - QD1 LEU 49 far 0 90 0 - 9.6-17.0 HA ILE 32 - QG2 VAL 63 far 0 58 0 - 9.9-16.3 Violated in 6 structures by 0.08 A. Peak 1582 from aliabs.peaks (1.50, 0.91, 23.35 ppm; 3.14 A): 3 out of 9 assignments used, quality = 0.99: * HB2 LEU 49 + QD1 LEU 49 OK 99 100 100 99 3.1-3.2 3.2=95, 3.0/1581=35...(15) HG LEU 69 + QD1 LEU 49 OK 27 85 40 80 3.0-5.9 1574/2.1=25, ~11061=22...(23) HB2 LEU 53 + QD1 LEU 49 OK 26 71 45 80 3.5-6.4 3.0/1583=17, 3.1/1585=12...(30) QB ALA 52 - QD1 LEU 49 poor 20 89 30 74 3.9-5.2 9231=18, 9247/4.7=16...(15) QB ALA 52 - QG2 VAL 63 far 0 46 0 - 6.6-9.5 HB2 LEU 49 - QG2 VAL 63 far 0 58 0 - 6.7-10.4 HG LEU 42 - QD1 LEU 49 far 0 97 0 - 7.0-9.8 HB2 LEU 53 - QG2 VAL 63 far 0 34 0 - 7.4-12.7 HG LEU 69 - QG2 VAL 63 far 0 43 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 1583 from aliabs.peaks (1.91, 0.91, 23.35 ppm; 3.50 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 49 + QD1 LEU 49 OK 100 100 100 100 2.0-2.3 3.2=100 HG LEU 53 + QD1 LEU 49 OK 62 81 85 90 2.0-5.6 2.1/1585=18, 1575/2.1=17...(36) HB3 LEU 48 - QD1 LEU 49 far 0 81 0 - 5.4-6.8 HB2 PRO 113 - QG2 VAL 63 far 0 57 0 - 5.6-12.1 HG2 PRO 113 - QG2 VAL 63 far 0 46 0 - 6.5-13.3 HB2 GLU 30 - QG2 VAL 63 far 0 36 0 - 6.5-16.7 HB3 LEU 49 - QG2 VAL 63 far 0 58 0 - 7.3-9.7 HG LEU 53 - QG2 VAL 63 far 0 40 0 - 7.5-12.7 HB2 LYS 95 - QD1 LEU 49 far 0 78 0 - 9.4-11.6 HB3 LEU 48 - QG2 VAL 63 far 0 40 0 - 9.4-14.5 HB2 GLU 30 - QD1 LEU 49 far 0 73 0 - 9.8-18.6 HB3 LYS 95 - QD1 LEU 49 far 0 71 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1584 from aliabs.peaks (1.57, 0.91, 23.35 ppm; 3.00 A): 4 out of 13 assignments used, quality = 1.00: * HG LEU 49 + QD1 LEU 49 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 123 + QD1 LEU 49 OK 67 99 75 90 3.1-5.5 2.1/3950=25, 3.0/3934=15...(37) HG LEU 103 + QG2 VAL 63 OK 47 51 100 91 1.9-3.2 2.1/11822=28, ~11832=16...(31) HB2 LEU 103 + QG2 VAL 63 OK 21 57 40 92 4.0-5.3 3.1/11822=20...(34) HB2 LEU 119 - QG2 VAL 63 far 0 31 0 - 5.4-9.7 HB2 LEU 119 - QD1 LEU 49 far 0 65 0 - 5.9-9.9 HG LEU 123 - QG2 VAL 63 far 0 57 0 - 6.0-11.5 HB3 LEU 42 - QD1 LEU 49 far 0 63 0 - 7.3-10.2 HG LEU 49 - QG2 VAL 63 far 0 58 0 - 8.8-11.6 HG13 ILE 37 - QD1 LEU 49 far 0 87 0 - 9.1-15.1 HG LEU 103 - QD1 LEU 49 far 0 95 0 - 9.4-12.7 HB2 LEU 103 - QD1 LEU 49 far 0 100 0 - 9.4-13.2 HG2 ARG 23 - QG2 VAL 63 far 0 55 0 - 9.6-25.5 Violated in 0 structures by 0.00 A. Peak 1585 from aliabs.peaks (0.80, 0.91, 23.35 ppm; 2.55 A): 4 out of 23 assignments used, quality = 1.00: * QD2 LEU 49 + QD1 LEU 49 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 53 + QD1 LEU 49 OK 51 100 85 61 1.7-4.5 2.1/1583=13, 1674/3.2=9...(21) QG1 VAL 63 + QG2 VAL 63 OK 49 49 100 100 1.9-2.1 2.1=100 QD1 LEU 103 + QG2 VAL 63 OK 40 47 95 88 1.7-4.1 2.1/11822=21...(38) QD2 LEU 119 - QG2 VAL 63 poor 17 56 30 - 2.9-8.7 QD2 LEU 122 - QG2 VAL 63 poor 13 53 25 - 3.0-6.9 QD1 LEU 122 - QG2 VAL 63 poor 11 55 20 - 3.0-6.9 QD1 LEU 122 - QD1 LEU 49 lone 7 98 45 16 2.8-5.5 1561/3.2=3, 1552/3.2=2...(7) QD2 LEU 122 - QD1 LEU 49 lone 3 97 25 14 3.0-6.5 11571/3925=2, ~1561=2...(7) QD1 LEU 70 - QD1 LEU 49 far 0 92 0 - 4.8-9.1 QD2 LEU 119 - QD1 LEU 49 far 0 99 0 - 5.0-10.6 QD1 LEU 96 - QD1 LEU 49 far 0 73 0 - 5.2-7.7 QD1 ILE 32 - QG2 VAL 63 far 0 28 0 - 5.3-11.3 QD1 LEU 70 - QG2 VAL 63 far 0 49 0 - 5.4-8.1 QD1 LEU 53 - QG2 VAL 63 far 0 58 0 - 5.6-10.4 QG2 ILE 129 - QD1 LEU 49 far 0 65 0 - 5.9-8.2 QD1 ILE 32 - QD1 LEU 49 far 0 60 0 - 5.9-11.2 QD2 LEU 49 - QG2 VAL 63 far 0 58 0 - 6.1-8.3 QD1 ILE 37 - QD1 LEU 49 far 0 60 0 - 6.3-11.8 QD1 LEU 96 - QG2 VAL 63 far 0 36 0 - 6.4-9.3 QG1 VAL 63 - QD1 LEU 49 far 0 92 0 - 7.7-9.3 QD1 LEU 103 - QD1 LEU 49 far 0 90 0 - 8.5-11.4 QD1 ILE 37 - QG2 VAL 63 far 0 28 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 1586 from aliabs.peaks (0.91, 0.91, 23.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 49 + QD1 LEU 49 OK 100 100 - 100 QG2 VAL 63 + QG2 VAL 63 OK 58 58 - 100 Peak 1589 from aliabs.peaks (4.00, 4.00, 62.52 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HA SER 50 + HA SER 50 OK 100 100 - 100 HA VAL 20 + HA VAL 20 OK 93 93 - 100 HB2 SER 124 + HB2 SER 124 OK 83 83 - 100 HB3 SER 51 + HB3 SER 51 OK 60 60 - 100 HB3 SER 124 + HB3 SER 124 OK 50 50 - 100 Peak 1590 from aliabs.peaks (3.82, 4.00, 62.52 ppm; 3.39 A): 1 out of 23 assignments used, quality = 1.00: * HB2 SER 50 + HA SER 50 OK 100 100 100 100 2.2-2.6 3.0=100 HA LEU 123 - HA SER 50 far 7 65 10 - 4.6-6.4 HB2 SER 50 - HB3 SER 51 far 0 71 0 - 5.5-6.9 HA LEU 123 - HB3 SER 124 far 0 33 0 - 5.5-5.7 HB2 SER 9 - HB3 SER 51 far 0 64 0 - 5.9-48.5 HA LEU 123 - HB2 SER 124 far 0 49 0 - 6.0-6.4 HA VAL 118 - HB3 SER 124 far 0 45 0 - 6.6-8.1 HD3 PRO 58 - HA VAL 20 far 0 94 0 - 6.8-33.9 HB2 SER 130 - HA SER 50 far 0 100 0 - 6.9-10.1 HB3 SER 9 - HB3 SER 51 far 0 43 0 - 7.4-48.5 HB3 SER 33 - HA VAL 20 far 0 88 0 - 7.5-27.7 HA VAL 118 - HB2 SER 124 far 0 66 0 - 7.8-8.7 HA LEU 62 - HA SER 50 far 0 97 0 - 7.8-9.6 HB2 SER 50 - HB3 SER 124 far 0 61 0 - 8.0-11.0 HB3 SER 9 - HA VAL 20 far 0 62 0 - 8.1-24.7 HB2 SER 50 - HB2 SER 124 far 0 85 0 - 8.2-11.2 HA LEU 62 - HA VAL 20 far 0 89 0 - 8.7-30.3 HA LEU 62 - HB3 SER 51 far 0 65 0 - 8.9-12.4 HB2 SER 9 - HA VAL 20 far 0 88 0 - 9.0-26.3 HB2 SER 130 - HB3 SER 51 far 0 70 0 - 9.6-13.1 HA LEU 62 - HB3 SER 124 far 0 55 0 - 9.7-15.1 HB2 SER 9 - HA SER 50 far 0 96 0 - 9.8-48.5 HA LEU 123 - HB3 SER 51 far 0 39 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1591 from aliabs.peaks (3.88, 4.00, 62.52 ppm; 3.64 A): 2 out of 20 assignments used, quality = 1.00: * HB3 SER 50 + HA SER 50 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 SER 50 + HB3 SER 51 OK 40 71 75 74 3.9-6.2 1607/3.8=24, 1604=24...(14) HA LEU 123 - HA SER 50 poor 19 63 30 - 4.6-6.4 HA2 GLY 2 - HA SER 50 far 4 89 5 - 4.8-71.1 HA2 GLY 2 - HB3 SER 51 far 3 57 5 - 5.1-70.8 HA ALA 46 - HA SER 50 far 0 95 0 - 5.2-7.0 HA LEU 123 - HB3 SER 124 far 0 31 0 - 5.5-5.7 HA LEU 123 - HB2 SER 124 far 0 47 0 - 6.0-6.4 HA3 GLY 2 - HB3 SER 51 far 0 56 0 - 6.1-71.1 HA3 GLY 2 - HA SER 50 far 0 87 0 - 6.4-71.4 HB2 SER 33 - HA VAL 20 far 0 55 0 - 7.3-26.8 HB3 SER 60 - HA VAL 20 far 0 52 0 - 7.5-31.6 HB2 SER 60 - HA VAL 20 far 0 52 0 - 7.7-32.3 HA ALA 46 - HB3 SER 51 far 0 63 0 - 7.9-9.2 HA ALA 46 - HB3 SER 124 far 0 53 0 - 9.4-13.2 HB3 SER 50 - HB2 SER 124 far 0 85 0 - 9.4-12.3 HB3 SER 50 - HB3 SER 124 far 0 61 0 - 9.4-11.9 HA ALA 46 - HB2 SER 124 far 0 76 0 - 9.6-13.3 HB3 SER 50 - HA VAL 20 far 0 95 0 - 9.9-34.9 HA LEU 123 - HB3 SER 51 far 0 38 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1594 from aliabs.peaks (1.52, 4.00, 62.52 ppm; 6.80 A): 5 out of 14 assignments used, quality = 1.00: * HB2 LEU 53 + HA SER 50 OK 100 100 100 100 4.0-4.9 1.8/1653=77, 1644=75...(17) HB2 LEU 49 + HA SER 50 OK 71 71 100 100 5.5-5.7 ~6619=61, ~1579=54...(41) HB2 LEU 22 + HA VAL 20 OK 64 67 95 100 3.8-8.9 4.0/10724=91...(11) HB2 LEU 49 + HB3 SER 51 OK 29 43 100 67 7.3-8.0 4.6/1588=37, 3.9/341=20...(7) HB2 LEU 53 + HB2 SER 124 OK 22 85 40 64 5.4-11.5 ~10373=25, ~10373=13...(12) HB2 LEU 53 - HB3 SER 124 poor 19 61 65 48 5.4-9.9 3.1/10373=17...(10) HB2 LEU 53 - HB3 SER 51 poor 17 71 40 58 7.8-8.8 6664/6657=45, 1.8/1653=22 HB2 LEU 119 - HB3 SER 124 poor 15 38 40 - 7.1-9.2 HG LEU 69 - HA SER 50 poor 14 99 25 58 7.3-10.4 11036/9218=24...(8) HB2 LEU 119 - HA SER 50 poor 10 73 35 38 6.0-13.0 1656/1653=14...(5) HB2 LEU 119 - HB2 SER 124 far 0 56 0 - 8.3-10.7 HB2 LEU 49 - HA VAL 20 far 0 62 0 - 8.7-27.9 HB2 LEU 22 - HB3 SER 51 far 0 47 0 - 8.8-31.5 HB2 LEU 119 - HB3 SER 51 far 0 45 0 - 9.8-17.8 Violated in 0 structures by 0.00 A. Peak 1595 from aliabs.peaks (1.99, 4.00, 62.52 ppm; 3.89 A): 2 out of 23 assignments used, quality = 1.00: * HB3 LEU 53 + HA SER 50 OK 94 100 100 94 2.5-4.3 1.8/1644=46, 1653=39...(17) HB VAL 20 + HA VAL 20 OK 92 92 100 100 2.4-3.0 3.0=100 HB2 GLN 27 - HA VAL 20 far 3 52 5 - 5.0-18.7 HB2 GLU 55 - HA VAL 20 far 0 94 0 - 5.5-35.6 HB VAL 20 - HB3 SER 51 far 0 69 0 - 5.7-32.0 HB3 LEU 53 - HB2 SER 124 far 0 85 0 - 5.8-12.1 HB2 GLU 55 - HB3 SER 51 far 0 71 0 - 6.0-9.6 HB3 LEU 53 - HB3 SER 124 far 0 61 0 - 6.0-10.7 HB3 MET 11 - HA VAL 20 far 0 76 0 - 6.3-22.6 HB3 GLU 30 - HA VAL 20 far 0 80 0 - 6.4-20.7 HB3 LEU 53 - HB3 SER 51 far 0 71 0 - 6.4-7.8 HB2 GLN 27 - HB3 SER 51 far 0 36 0 - 6.6-29.1 HB2 GLU 55 - HA SER 50 far 0 100 0 - 7.7-10.6 HB3 PRO 117 - HB3 SER 124 far 0 53 0 - 7.9-10.3 HG2 PRO 56 - HA VAL 20 far 0 85 0 - 8.3-37.8 HB ILE 37 - HA VAL 20 far 0 62 0 - 8.5-28.9 HB ILE 129 - HB2 SER 124 far 0 81 0 - 8.6-10.8 HB3 PRO 117 - HB2 SER 124 far 0 76 0 - 8.6-11.0 HB ILE 129 - HA SER 50 far 0 98 0 - 8.9-11.8 HB2 GLN 27 - HA SER 50 far 0 60 0 - 8.9-27.4 HG3 PRO 56 - HA VAL 20 far 0 80 0 - 9.0-38.8 HB VAL 20 - HA SER 50 far 0 99 0 - 9.2-32.6 HB ILE 129 - HB3 SER 124 far 0 57 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 1596 from aliabs.peaks (4.34, 3.82, 62.30 ppm; 4.26 A): 3 out of 9 assignments used, quality = 0.99: * HA ASP 47 + HB2 SER 50 OK 97 100 100 97 2.6-4.2 1602/1.8=63, 1469=52...(11) HA ASP 131 + HB2 SER 130 OK 49 56 100 88 4.3-5.7 2.9/4180=50, ~7901=22...(13) HA ASP 47 + HB2 SER 130 OK 22 98 40 58 3.8-7.9 10901/11718=14...(8) HA LEU 69 - HB2 SER 130 far 0 93 0 - 6.6-9.7 HA ASP 131 - HB2 SER 50 far 0 60 0 - 7.5-10.9 HA GLN 134 - HB2 SER 130 far 0 86 0 - 7.8-9.2 HA CYS 125 - HB2 SER 130 far 0 80 0 - 8.0-9.1 HA CYS 125 - HB2 SER 50 far 0 85 0 - 8.5-10.7 HA LEU 69 - HB2 SER 50 far 0 97 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 1598 from aliabs.peaks (4.00, 3.82, 62.30 ppm; 3.33 A): 3 out of 12 assignments used, quality = 1.00: * HA SER 50 + HB2 SER 50 OK 100 100 100 100 2.2-2.6 3.0=100 HA GLN 127 + HB2 SER 130 OK 42 58 100 72 2.8-3.8 4181/1.8=27...(17) HA GLN 127 + HB2 SER 50 OK 29 63 75 62 2.7-6.4 3.0/1870=11...(16) HB3 SER 51 - HB2 SER 50 far 0 92 0 - 5.5-6.9 HA SER 50 - HB2 SER 130 far 0 98 0 - 6.9-10.1 HA LEU 119 - HB2 SER 50 far 0 60 0 - 7.8-14.0 HB3 SER 124 - HB2 SER 50 far 0 90 0 - 8.0-11.0 HB2 SER 124 - HB2 SER 50 far 0 99 0 - 8.2-11.2 HA ILE 37 - HB2 SER 130 far 0 69 0 - 8.5-14.6 HB3 SER 51 - HB2 SER 130 far 0 87 0 - 9.6-13.1 HA THR 65 - HB2 SER 50 far 0 68 0 - 9.7-13.1 HA ARG 135 - HB2 SER 130 far 0 76 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1599 from aliabs.peaks (3.82, 3.82, 62.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 50 + HB2 SER 50 OK 100 100 - 100 HB2 SER 130 + HB2 SER 130 OK 97 97 - 100 Peak 1600 from aliabs.peaks (3.88, 3.82, 62.30 ppm; 3.73 A): 3 out of 12 assignments used, quality = 1.00: * HB3 SER 50 + HB2 SER 50 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 46 + HB2 SER 130 OK 64 90 80 89 4.3-6.0 ~10508=39, 2.1/11718=30...(15) HA ALA 46 + HB2 SER 50 OK 39 95 60 68 4.3-7.0 2.1/11718=22, ~1460=12...(16) HB3 SER 50 - HB2 SER 130 far 5 98 5 - 4.9-8.8 HA2 GLY 2 - HB2 SER 50 far 4 89 5 - 3.8-72.2 HA LEU 123 - HB2 SER 50 far 3 63 5 - 5.2-7.8 HA3 GLY 2 - HB2 SER 50 far 0 87 0 - 5.5-72.5 HA LEU 70 - HB2 SER 130 far 0 98 0 - 7.4-10.1 HA LEU 123 - HB2 SER 130 far 0 58 0 - 7.5-10.2 HA3 GLY 2 - HB2 SER 130 far 0 82 0 - 9.0-71.9 HA2 GLY 2 - HB2 SER 130 far 0 84 0 - 9.3-71.4 HD2 PRO 81 - HB2 SER 130 far 0 61 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 1602 from aliabs.peaks (4.34, 3.88, 62.30 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.98: * HA ASP 47 + HB3 SER 50 OK 98 100 100 98 2.2-4.1 1596/1.8=60, 1470=49...(12) HA ASP 131 - HB3 SER 50 far 0 60 0 - 7.7-11.1 Violated in 0 structures by 0.00 A. Peak 1604 from aliabs.peaks (4.00, 3.88, 62.30 ppm; 3.20 A): 2 out of 7 assignments used, quality = 1.00: * HA SER 50 + HB3 SER 50 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 SER 51 + HB3 SER 50 OK 31 92 55 62 3.9-6.2 1591=19, 3.8/1607=18...(13) HA GLN 127 - HB3 SER 50 poor 13 63 20 - 4.0-6.7 HA LEU 119 - HB3 SER 50 far 0 60 0 - 8.7-15.2 HB2 SER 124 - HB3 SER 50 far 0 99 0 - 9.4-12.3 HB3 SER 124 - HB3 SER 50 far 0 90 0 - 9.4-11.9 HA VAL 20 - HB3 SER 50 far 0 99 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 1605 from aliabs.peaks (3.82, 3.88, 62.30 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * HB2 SER 50 + HB3 SER 50 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 130 - HB3 SER 50 far 5 100 5 - 4.9-8.8 HA LEU 123 - HB3 SER 50 far 0 65 0 - 5.8-8.8 HB2 SER 9 - HB3 SER 50 far 0 96 0 - 7.3-50.4 HB3 SER 9 - HB3 SER 50 far 0 71 0 - 8.8-50.6 HA LEU 62 - HB3 SER 50 far 0 97 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 1606 from aliabs.peaks (3.88, 3.88, 62.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 50 + HB3 SER 50 OK 100 100 - 100 Peak 1608 from aliabs.peaks (7.99, 4.22, 61.16 ppm; 6.30 A): 1 out of 1 assignment used, quality = 1.00: * H SER 51 + HA SER 51 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1609 from aliabs.peaks (4.22, 4.22, 61.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 51 + HA SER 51 OK 100 100 - 100 Peak 1610 from aliabs.peaks (3.94, 4.22, 61.16 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 51 + HA SER 51 OK 100 100 100 100 2.5-2.9 2.9=100 HA2 GLY 17 - HA SER 51 far 5 98 5 - 4.4-35.7 HA3 GLY 17 - HA SER 51 far 0 92 0 - 5.4-36.3 HA GLN 127 - HA SER 51 far 0 68 0 - 8.2-11.4 HA3 GLY 14 - HA SER 51 far 0 76 0 - 9.7-39.8 Violated in 0 structures by 0.00 A. Peak 1611 from aliabs.peaks (3.98, 4.22, 61.16 ppm; 3.77 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 51 + HA SER 51 OK 100 100 100 100 2.7-3.0 2.9=100 HA SER 50 + HA SER 51 OK 83 92 100 91 4.6-4.7 4.9=46, 6650/3.6=19...(18) HA2 GLY 17 - HA SER 51 far 3 57 5 - 4.4-35.7 HA3 GLY 17 - HA SER 51 far 0 73 0 - 5.4-36.3 HA GLN 127 - HA SER 51 far 0 95 0 - 8.2-11.4 HA VAL 20 - HA SER 51 far 0 98 0 - 8.3-35.2 HB2 SER 124 - HA SER 51 far 0 99 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 1612 from aliabs.peaks (8.03, 4.22, 61.16 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 52 + HA SER 51 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 48 + HA SER 51 OK 78 78 100 100 7.3-8.0 ~1492=80, ~1615=79...(16) Violated in 0 structures by 0.00 A. Peak 1613 from aliabs.peaks (7.55, 4.22, 61.16 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H THR 54 + HA SER 51 OK 100 100 100 100 3.5-4.5 6672=100, 4.0/1691=94...(5) Violated in 0 structures by 0.00 A. Peak 1614 from aliabs.peaks (4.46, 4.22, 61.16 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.95: * HB THR 54 + HA SER 51 OK 95 100 95 100 3.2-6.4 1691=100, 4.0/6672=43, ~9223=14 Violated in 13 structures by 0.56 A. Peak 1615 from aliabs.peaks (4.10, 3.94, 62.66 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 48 + HB2 SER 51 OK 100 100 100 100 3.2-4.8 1492=100, 1493/1.8=54...(11) HA LEU 49 - HB2 SER 51 far 15 99 15 - 5.5-6.5 HA CYS 45 - HB2 SER 51 far 0 93 0 - 8.6-10.5 Violated in 15 structures by 0.20 A. Peak 1616 from aliabs.peaks (7.99, 3.94, 62.66 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H SER 51 + HB2 SER 51 OK 100 100 100 100 2.2-3.2 3.8=100 H VAL 57 - HB2 SER 51 far 0 81 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 1617 from aliabs.peaks (4.22, 3.94, 62.66 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 51 + HB2 SER 51 OK 100 100 100 100 2.5-2.9 2.9=100 HB THR 25 - HB2 SER 51 far 3 63 5 - 4.9-29.4 HA ALA 28 - HB2 SER 51 far 0 65 0 - 7.5-26.6 Violated in 0 structures by 0.00 A. Peak 1618 from aliabs.peaks (3.94, 3.94, 62.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 51 + HB2 SER 51 OK 100 100 - 100 Peak 1619 from aliabs.peaks (3.98, 3.94, 62.66 ppm; 2.51 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 51 + HB2 SER 51 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 17 - HB2 SER 51 far 4 73 5 - 4.0-34.7 HA2 GLY 17 - HB2 SER 51 far 3 57 5 - 2.4-34.1 HA SER 50 - HB2 SER 51 far 0 92 0 - 5.6-6.4 HA VAL 20 - HB2 SER 51 far 0 98 0 - 6.0-35.2 HA GLN 127 - HB2 SER 51 far 0 95 0 - 8.5-12.6 HA THR 65 - HB2 SER 51 far 0 97 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1621 from aliabs.peaks (4.10, 3.98, 62.66 ppm; 5.24 A): 4 out of 11 assignments used, quality = 1.00: * HA LEU 48 + HB3 SER 51 OK 100 100 100 100 3.3-3.8 1492/1.8=99, 1493=64...(12) HA LEU 49 + HB3 SER 51 OK 82 99 100 83 5.3-6.1 4.9/1493=42, 1491/3.8=27...(9) HA LEU 49 + HA SER 50 OK 69 69 100 100 4.7-4.9 4.8=100 HA LEU 48 + HA SER 50 OK 51 71 75 96 6.4-6.8 ~6590=46, 1491/3.6=44...(13) HA ILE 32 - HA VAL 20 far 7 71 10 - 5.4-23.3 HA LEU 48 - HA VAL 20 far 4 74 5 - 4.7-32.3 HA LEU 49 - HA VAL 20 far 0 71 0 - 7.5-29.1 HA CYS 45 - HA VAL 20 far 0 64 0 - 7.9-28.3 HA CYS 45 - HA SER 50 far 0 62 0 - 8.6-10.1 HA CYS 45 - HB3 SER 51 far 0 93 0 - 8.7-9.5 HA LEU 98 - HA VAL 20 far 0 72 0 - 8.9-39.9 Violated in 0 structures by 0.00 A. Peak 1623 from aliabs.peaks (4.22, 3.98, 62.66 ppm; 4.75 A): 3 out of 19 assignments used, quality = 1.00: * HA SER 51 + HB3 SER 51 OK 100 100 100 100 2.7-3.0 2.9=100 HA SER 51 + HA SER 50 OK 71 71 100 100 4.6-4.7 4.9=91, 3.6/6650=30...(18) HA SER 124 + HB2 SER 124 OK 35 35 100 100 2.2-3.0 3.0=100 HA SER 124 - HA SER 50 poor 14 41 35 - 4.5-8.1 HB THR 25 - HB3 SER 51 far 3 63 5 - 4.7-29.5 HA ALA 28 - HA VAL 20 far 2 41 5 - 2.3-19.2 HB THR 25 - HA VAL 20 far 2 39 5 - 6.0-15.3 HA GLU 128 - HB2 SER 124 far 0 36 0 - 6.7-8.1 HB3 SER 38 - HA VAL 20 far 0 74 0 - 6.9-31.9 HA ALA 28 - HB3 SER 51 far 0 65 0 - 7.1-26.2 HA ALA 29 - HA VAL 20 far 0 69 0 - 7.3-18.3 HA GLU 128 - HA SER 50 far 0 43 0 - 7.5-11.1 HA SER 51 - HA VAL 20 far 0 74 0 - 8.3-35.2 HB THR 25 - HA SER 50 far 0 38 0 - 8.7-26.3 HA GLU 30 - HA VAL 20 far 0 74 0 - 8.7-20.5 HA ALA 28 - HA SER 50 far 0 39 0 - 9.1-24.6 HA ALA 29 - HB3 SER 51 far 0 97 0 - 9.3-24.5 HA ALA 29 - HA SER 50 far 0 66 0 - 9.7-21.5 HA SER 51 - HB2 SER 124 far 0 61 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 1624 from aliabs.peaks (3.94, 3.98, 62.66 ppm; 2.74 A): 1 out of 20 assignments used, quality = 1.00: * HB2 SER 51 + HB3 SER 51 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 17 - HB3 SER 51 far 5 98 5 - 4.1-33.0 HA GLN 127 - HA SER 50 far 0 41 0 - 4.3-7.5 HA2 GLY 17 - HA VAL 20 far 0 70 0 - 4.8-11.1 HA3 GLY 14 - HA VAL 20 far 0 49 0 - 5.1-17.5 HA3 GLY 17 - HA VAL 20 far 0 62 0 - 5.2-11.0 HB2 SER 51 - HA SER 50 far 0 71 0 - 5.6-6.4 HA3 GLY 17 - HB3 SER 51 far 0 92 0 - 5.6-33.7 HB2 SER 51 - HA VAL 20 far 0 74 0 - 6.0-35.2 HB2 SER 106 - HA VAL 20 far 0 47 0 - 6.0-44.0 HA2 GLY 14 - HA VAL 20 far 0 47 0 - 6.2-16.3 HA THR 65 - HA VAL 20 far 0 39 0 - 7.4-25.4 HA GLN 127 - HB2 SER 124 far 0 35 0 - 7.6-8.3 HA2 GLY 17 - HA SER 50 far 0 67 0 - 8.2-36.6 HA GLN 127 - HB3 SER 51 far 0 68 0 - 8.4-11.7 HA2 GLY 111 - HA VAL 20 far 0 68 0 - 8.8-43.4 HA3 GLY 111 - HA VAL 20 far 0 73 0 - 9.0-44.4 HA THR 65 - HA SER 50 far 0 38 0 - 9.2-12.0 HA3 GLY 17 - HA SER 50 far 0 60 0 - 9.4-35.2 HA THR 65 - HB3 SER 51 far 0 63 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 1625 from aliabs.peaks (3.98, 3.98, 62.66 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 SER 51 + HB3 SER 51 OK 100 100 - 100 HA VAL 20 + HA VAL 20 OK 70 70 - 100 HA SER 50 + HA SER 50 OK 60 60 - 100 HB2 SER 124 + HB2 SER 124 OK 58 58 - 100 Peak 1628 from aliabs.peaks (4.13, 4.13, 54.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 52 + HA ALA 52 OK 100 100 - 100 Peak 1629 from aliabs.peaks (1.48, 4.13, 54.29 ppm; 3.04 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 52 + HA ALA 52 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 49 - HA ALA 52 far 0 89 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 1631 from aliabs.peaks (4.11, 1.48, 18.03 ppm; 3.32 A): 3 out of 6 assignments used, quality = 0.98: * HA LEU 49 + QB ALA 52 OK 89 100 100 89 2.2-2.7 2.9/9247=34, 1545=24...(21) HA ALA 52 + QB ALA 52 OK 73 73 100 100 2.1-2.1 2.1=100 HA LEU 48 + QB ALA 52 OK 46 99 60 78 4.2-5.3 3.6/9247=30, 3.8/9231=17...(14) HA CYS 45 - QB ALA 52 far 0 99 0 - 7.3-8.6 HA3 GLY 114 - QB ALA 52 far 0 90 0 - 7.4-14.4 HA ILE 32 - QB ALA 52 far 0 100 0 - 9.6-19.3 Violated in 0 structures by 0.00 A. Peak 1632 from aliabs.peaks (8.03, 1.48, 18.03 ppm; 5.00 A): 3 out of 4 assignments used, quality = 1.00: * H ALA 52 + QB ALA 52 OK 100 100 100 100 2.1-2.3 2.9=100 H LEU 48 + QB ALA 52 OK 65 78 85 97 5.8-6.7 4.0/9247=63, 2.9/1631=28...(18) H VAL 57 + QB ALA 52 OK 59 85 70 99 4.6-7.3 4.1/9317=81, 4.1/9312=78...(6) H CYS 125 - QB ALA 52 far 0 92 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 1633 from aliabs.peaks (4.13, 1.48, 18.03 ppm; 2.80 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 52 + QB ALA 52 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 49 + QB ALA 52 OK 52 73 100 70 2.2-2.7 2.9/9247=22, 3.0/9240=15...(17) HA CYS 45 - QB ALA 52 far 0 89 0 - 7.3-8.6 HA3 GLY 114 - QB ALA 52 far 0 99 0 - 7.4-14.4 HA ILE 32 - QB ALA 52 far 0 73 0 - 9.6-19.3 Violated in 0 structures by 0.00 A. Peak 1634 from aliabs.peaks (1.48, 1.48, 18.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 52 + QB ALA 52 OK 100 100 - 100 Peak 1637 from aliabs.peaks (4.18, 4.18, 56.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 53 + HA LEU 53 OK 100 100 - 100 Peak 1638 from aliabs.peaks (1.52, 4.18, 56.53 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 53 + HA LEU 53 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 LEU 119 + HA LEU 53 OK 47 73 70 92 2.1-10.9 3.1/11621=51...(33) HB2 LEU 49 - HA LEU 53 far 0 71 0 - 6.4-8.1 Violated in 0 structures by 0.00 A. Peak 1639 from aliabs.peaks (1.99, 4.18, 56.53 ppm; 4.26 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 53 + HA LEU 53 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 55 - HA LEU 53 poor 18 100 35 51 5.2-7.1 6678/3.6=24...(5) HB2 GLN 27 - HA LEU 53 far 0 60 0 - 7.8-28.7 HB3 PRO 56 - HA LEU 53 far 0 99 0 - 8.3-10.1 HG2 PRO 56 - HA LEU 53 far 0 93 0 - 8.3-10.3 HB VAL 20 - HA LEU 53 far 0 99 0 - 8.7-35.1 HG3 PRO 56 - HA LEU 53 far 0 89 0 - 8.8-10.4 HB VAL 63 - HA LEU 53 far 0 63 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 1640 from aliabs.peaks (1.94, 4.18, 56.53 ppm; 4.01 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 53 + HA LEU 53 OK 100 100 100 100 2.5-3.8 2.1/1679=89, 4.3=83...(15) HB3 LEU 49 + HA LEU 53 OK 37 81 50 92 5.1-6.7 6666/3.0=27...(22) HB2 PRO 113 - HA LEU 53 far 3 68 5 - 5.3-14.9 HG2 PRO 113 - HA LEU 53 far 0 100 0 - 7.0-16.5 HB2 GLN 27 - HA LEU 53 far 0 60 0 - 7.8-28.7 HB2 PRO 58 - HA LEU 53 far 0 95 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 1641 from aliabs.peaks (0.79, 4.18, 56.53 ppm; 3.72 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 53 + HA LEU 53 OK 100 100 100 100 2.0-4.1 3.8=96, 2.1/1679=83...(17) QD2 LEU 119 + HA LEU 53 OK 52 100 55 96 1.9-12.1 11621=71, 3.1/1638=18...(28) QD2 LEU 122 - HA LEU 53 far 5 99 5 - 4.9-8.6 QD1 LEU 122 - HA LEU 53 far 0 95 0 - 5.6-8.3 QD2 LEU 49 - HA LEU 53 far 0 100 0 - 6.4-8.1 QD1 LEU 103 - HA LEU 53 far 0 96 0 - 6.9-12.5 QD1 ILE 32 - HA LEU 53 far 0 71 0 - 8.7-17.9 QD1 LEU 70 - HA LEU 53 far 0 85 0 - 8.8-14.0 QG1 VAL 63 - HA LEU 53 far 0 97 0 - 9.1-12.1 QD1 LEU 96 - HA LEU 53 far 0 83 0 - 9.7-12.9 Violated in 5 structures by 0.03 A. Peak 1642 from aliabs.peaks (0.97, 4.18, 56.53 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 53 + HA LEU 53 OK 100 100 100 100 1.8-3.8 1679=100, 2.1/1671=52...(15) QD1 LEU 119 - HA LEU 53 poor 19 63 40 77 2.7-11.0 2.1/11621=47...(15) QG1 VAL 57 - HA LEU 53 poor 15 73 20 - 4.1-7.7 QG2 VAL 126 - HA LEU 53 far 0 100 0 - 6.4-9.8 QG1 VAL 126 - HA LEU 53 far 0 97 0 - 6.4-9.6 QG1 VAL 112 - HA LEU 53 far 0 100 0 - 8.4-13.8 Violated in 3 structures by 0.05 A. Peak 1644 from aliabs.peaks (4.00, 1.52, 42.16 ppm; 4.41 A): 2 out of 8 assignments used, quality = 0.97: * HA SER 50 + HB2 LEU 53 OK 96 100 100 96 4.0-4.9 1653/1.8=51, 9218/3.1=32...(17) HA LEU 119 + HB2 LEU 53 OK 32 60 55 96 2.0-9.8 11001/11809=24...(36) HB3 SER 124 - HB2 LEU 53 poor 18 90 20 - 5.4-9.9 HB2 SER 124 - HB2 LEU 53 far 10 99 10 - 5.4-11.5 HA GLN 127 - HB2 LEU 53 far 0 63 0 - 7.4-11.2 HB3 SER 51 - HB2 LEU 53 far 0 92 0 - 7.8-8.8 HA THR 65 - HB2 LEU 53 far 0 68 0 - 8.1-14.9 HB3 SER 99 - HB2 LEU 53 far 0 100 0 - 8.1-14.0 Violated in 6 structures by 0.10 A. Peak 1646 from aliabs.peaks (4.18, 1.52, 42.16 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 128 - HB2 LEU 53 far 0 95 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 1647 from aliabs.peaks (1.52, 1.52, 42.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + HB2 LEU 53 OK 100 100 - 100 Peak 1648 from aliabs.peaks (1.99, 1.52, 42.16 ppm; 3.79 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 53 + HB2 LEU 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 LEU 53 far 0 100 0 - 6.4-8.8 HB3 PRO 117 - HB2 LEU 53 far 0 95 0 - 9.3-15.8 HB2 GLN 27 - HB2 LEU 53 far 0 60 0 - 9.4-30.6 HB VAL 63 - HB2 LEU 53 far 0 63 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 1649 from aliabs.peaks (1.94, 1.52, 42.16 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LEU 49 + HB2 LEU 53 OK 43 81 55 98 4.3-7.7 1658/1.8=27, 1674/3.1=23...(42) HB2 PRO 113 - HB2 LEU 53 far 0 68 0 - 7.0-16.7 HG2 PRO 113 - HB2 LEU 53 far 0 100 0 - 8.7-18.2 HB2 GLN 27 - HB2 LEU 53 far 0 60 0 - 9.4-30.6 Violated in 0 structures by 0.00 A. Peak 1650 from aliabs.peaks (0.79, 1.52, 42.16 ppm; 3.64 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 53 + HB2 LEU 53 OK 100 100 100 100 1.9-2.6 3.1=100 QD2 LEU 119 + HB2 LEU 53 OK 38 100 40 94 1.8-10.9 11621/3.0=48...(38) QD1 LEU 122 - HB2 LEU 53 poor 15 95 50 32 3.9-9.5 1659/1.8=5, 1667/3.0=5...(15) QD2 LEU 122 - HB2 LEU 53 far 10 99 10 - 4.3-9.8 QD2 LEU 49 - HB2 LEU 53 far 0 100 0 - 5.4-8.5 QD1 LEU 70 - HB2 LEU 53 far 0 85 0 - 7.4-14.8 QD1 LEU 103 - HB2 LEU 53 far 0 96 0 - 7.4-14.1 QD1 LEU 96 - HB2 LEU 53 far 0 83 0 - 8.2-13.0 QG1 VAL 63 - HB2 LEU 53 far 0 97 0 - 8.6-14.0 QD1 ILE 32 - HB2 LEU 53 far 0 71 0 - 9.2-19.3 Violated in 0 structures by 0.00 A. Peak 1651 from aliabs.peaks (0.97, 1.52, 42.16 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + HB2 LEU 53 OK 100 100 100 100 2.1-2.9 3.1=100 QD1 LEU 119 + HB2 LEU 53 OK 23 63 40 92 3.6-9.9 ~11621=28, 2.1/1650=17...(40) QG2 VAL 126 - HB2 LEU 53 far 10 100 10 - 4.8-9.6 QG1 VAL 126 - HB2 LEU 53 far 10 97 10 - 4.6-9.8 QG1 VAL 57 - HB2 LEU 53 far 0 73 0 - 6.3-9.3 Violated in 0 structures by 0.00 A. Peak 1653 from aliabs.peaks (4.00, 1.99, 42.16 ppm; 4.89 A): 2 out of 8 assignments used, quality = 0.99: * HA SER 50 + HB3 LEU 53 OK 99 100 100 99 2.5-4.3 1644/1.8=67, 1595=52...(19) HA LEU 119 + HB3 LEU 53 OK 29 60 50 97 3.7-11.2 11725/3.1=24...(33) HB3 SER 124 - HB3 LEU 53 far 9 90 10 - 6.0-10.7 HB2 SER 124 - HB3 LEU 53 far 5 99 5 - 5.8-12.1 HB3 SER 51 - HB3 LEU 53 far 0 92 0 - 6.4-7.8 HA GLN 127 - HB3 LEU 53 far 0 63 0 - 6.6-10.7 HA THR 65 - HB3 LEU 53 far 0 68 0 - 8.0-13.5 HB3 SER 99 - HB3 LEU 53 far 0 100 0 - 9.2-15.1 Violated in 0 structures by 0.00 A. Peak 1655 from aliabs.peaks (4.18, 1.99, 42.16 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 128 - HB3 LEU 53 far 0 95 0 - 9.4-14.5 HB THR 25 - HB3 LEU 53 far 0 97 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 1656 from aliabs.peaks (1.52, 1.99, 42.16 ppm; 4.08 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 53 + HB3 LEU 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 119 + HB3 LEU 53 OK 25 73 35 99 3.4-11.2 ~11621=26, 1638/3.0=23...(54) HB2 LEU 49 - HB3 LEU 53 poor 18 71 25 - 5.1-7.9 HG LEU 69 - HB3 LEU 53 far 0 99 0 - 8.4-12.5 Violated in 0 structures by 0.00 A. Peak 1657 from aliabs.peaks (1.99, 1.99, 42.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + HB3 LEU 53 OK 100 100 - 100 Peak 1658 from aliabs.peaks (1.94, 1.99, 42.16 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 LEU 49 + HB3 LEU 53 OK 72 81 90 99 3.5-6.5 1649/1.8=30, 6666/4.0=28...(41) HB2 PRO 113 - HB3 LEU 53 far 0 68 0 - 7.9-17.1 HB2 GLN 27 - HB3 LEU 53 far 0 60 0 - 8.3-29.6 HG2 PRO 113 - HB3 LEU 53 far 0 100 0 - 9.5-18.6 Violated in 0 structures by 0.00 A. Peak 1659 from aliabs.peaks (0.79, 1.99, 42.16 ppm; 3.85 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 119 + HB3 LEU 53 OK 34 100 35 97 2.9-12.3 11621/3.0=54...(41) QD2 LEU 49 + HB3 LEU 53 OK 24 100 25 95 4.8-7.8 3.2/1658=19, 1575/3.0=17...(43) QD2 LEU 122 - HB3 LEU 53 far 15 99 15 - 4.8-9.9 QD1 LEU 122 - HB3 LEU 53 poor 12 95 35 37 4.3-9.8 1650/1.8=8, 1667/3.0=5...(17) QD1 LEU 70 - HB3 LEU 53 far 0 85 0 - 7.7-14.9 QD1 LEU 103 - HB3 LEU 53 far 0 96 0 - 7.7-14.8 QG1 VAL 63 - HB3 LEU 53 far 0 97 0 - 8.2-13.6 QD1 LEU 96 - HB3 LEU 53 far 0 83 0 - 8.3-12.5 QD1 ILE 32 - HB3 LEU 53 far 0 71 0 - 8.8-18.3 Violated in 0 structures by 0.00 A. Peak 1660 from aliabs.peaks (0.97, 1.99, 42.16 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + HB3 LEU 53 OK 100 100 100 100 2.2-3.2 3.1=100 QD1 LEU 119 - HB3 LEU 53 poor 16 63 25 - 4.9-11.1 QG1 VAL 126 - HB3 LEU 53 poor 14 97 25 56 4.4-9.2 11691=13, 10394/1653=10...(15) QG2 VAL 126 - HB3 LEU 53 far 10 100 10 - 4.6-9.0 QG1 VAL 57 - HB3 LEU 53 far 0 73 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 1663 from aliabs.peaks (4.18, 1.94, 27.00 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 53 + HG LEU 53 OK 100 100 100 100 2.5-3.8 4.3=100 HA GLU 128 - HG LEU 53 far 0 95 0 - 8.5-13.2 HA HIS 67 - HG LEU 53 far 0 63 0 - 9.3-17.5 HB THR 25 - HG LEU 53 far 0 97 0 - 9.5-24.5 Violated in 0 structures by 0.00 A. Peak 1664 from aliabs.peaks (1.52, 1.94, 27.00 ppm; 4.88 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 53 + HG LEU 53 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 LEU 49 + HG LEU 53 OK 49 71 70 100 3.1-8.5 ~1561=25, ~1674=25...(38) HB2 LEU 119 + HG LEU 53 OK 40 73 55 99 4.4-11.4 ~11845=30, 1680/2.1=24...(50) HG LEU 69 - HG LEU 53 far 0 99 0 - 6.9-13.3 Violated in 0 structures by 0.00 A. Peak 1665 from aliabs.peaks (1.99, 1.94, 27.00 ppm; 4.74 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 53 + HG LEU 53 OK 100 100 100 100 2.2-2.6 3.0=100 HB2 GLU 55 - HG LEU 53 far 5 100 5 - 6.2-9.8 HB2 GLN 27 - HG LEU 53 far 0 60 0 - 7.0-27.6 HB VAL 20 - HG LEU 53 far 0 99 0 - 8.6-33.8 HB VAL 63 - HG LEU 53 far 0 63 0 - 9.5-15.4 Violated in 0 structures by 0.00 A. Peak 1666 from aliabs.peaks (1.94, 1.94, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + HG LEU 53 OK 100 100 - 100 Peak 1667 from aliabs.peaks (0.79, 1.94, 27.00 ppm; 4.20 A): 4 out of 10 assignments used, quality = 1.00: * QD1 LEU 53 + HG LEU 53 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 49 + HG LEU 53 OK 54 100 55 98 3.7-8.0 2.1/1583=24, 1575=21...(43) QD2 LEU 119 + HG LEU 53 OK 34 100 35 96 2.3-12.5 11621/4.3=47...(35) QD1 LEU 122 + HG LEU 53 OK 22 95 50 47 3.7-9.5 1650/3.0=7, 1659/3.0=6...(19) QD2 LEU 122 - HG LEU 53 poor 12 99 25 47 3.5-9.8 1676/11679=5, ~1650=4...(22) QD1 LEU 70 - HG LEU 53 far 0 85 0 - 6.6-14.6 QD1 ILE 32 - HG LEU 53 far 0 71 0 - 7.0-16.9 QD1 LEU 103 - HG LEU 53 far 0 96 0 - 7.2-15.1 QD1 LEU 96 - HG LEU 53 far 0 83 0 - 7.8-13.8 QG1 VAL 63 - HG LEU 53 far 0 97 0 - 8.5-14.2 Violated in 0 structures by 0.00 A. Peak 1668 from aliabs.peaks (0.97, 1.94, 27.00 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 53 + HG LEU 53 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 126 + HG LEU 53 OK 24 97 40 62 4.5-9.8 2.1/11679=21...(16) QG2 VAL 126 - HG LEU 53 poor 19 100 30 64 4.1-10.2 11679=29, ~1660=6...(18) QD1 LEU 119 - HG LEU 53 far 9 63 15 - 4.4-11.0 QG1 VAL 57 - HG LEU 53 far 0 73 0 - 6.1-8.9 Violated in 0 structures by 0.00 A. Peak 1671 from aliabs.peaks (4.18, 0.79, 26.16 ppm; 3.71 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.0-4.1 3.8=95, 1679/2.1=82...(17) HA HIS 67 - QD2 LEU 122 poor 14 46 45 65 4.3-7.1 3.0/9258=34...(19) HA LEU 53 - QD2 LEU 122 far 4 84 5 - 4.9-8.6 HA GLU 128 - QD1 LEU 53 far 0 95 0 - 5.9-10.6 HA HIS 67 - QD1 LEU 53 far 0 63 0 - 6.3-13.8 HA GLU 128 - QD2 LEU 122 far 0 75 0 - 8.3-12.1 HA VAL 105 - QD2 LEU 122 far 0 84 0 - 8.5-12.8 HB THR 25 - QD1 LEU 53 far 0 97 0 - 9.7-21.9 Violated in 11 structures by 0.12 A. Peak 1672 from aliabs.peaks (1.52, 0.79, 26.16 ppm; 3.32 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 53 + QD1 LEU 53 OK 100 100 100 100 1.9-2.6 3.1=100 HB2 LEU 49 + QD1 LEU 53 OK 29 71 45 90 3.3-7.5 1.8/1674=22, 3.0/1541=14...(31) HB2 LEU 119 + QD1 LEU 53 OK 28 73 45 84 2.9-8.0 1680/2.1=15, ~11845=13...(32) HB2 LEU 53 - QD2 LEU 122 far 8 84 10 - 4.3-9.8 HB2 LEU 119 - QD2 LEU 122 far 8 55 15 - 3.7-8.0 HG LEU 69 - QD2 LEU 122 far 8 82 10 - 4.5-8.9 HB2 LEU 49 - QD2 LEU 122 far 5 53 10 - 4.6-8.6 HG LEU 69 - QD1 LEU 53 far 0 99 0 - 5.6-10.1 HB3 LEU 42 - QD2 LEU 122 far 0 57 0 - 8.8-14.6 Violated in 0 structures by 0.00 A. Peak 1673 from aliabs.peaks (1.99, 0.79, 26.16 ppm; 3.56 A): 1 out of 16 assignments used, quality = 1.00: * HB3 LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 53 - QD2 LEU 122 far 4 84 5 - 4.8-9.9 HB VAL 63 - QD2 LEU 122 far 2 46 5 - 4.9-9.2 HB ILE 129 - QD2 LEU 122 far 0 80 0 - 6.1-10.2 HB3 PRO 117 - QD2 LEU 122 far 0 75 0 - 6.5-10.2 HB VAL 63 - QD1 LEU 53 far 0 63 0 - 6.9-13.1 HB2 GLU 55 - QD1 LEU 53 far 0 100 0 - 7.1-9.2 HB2 GLN 27 - QD1 LEU 53 far 0 60 0 - 7.8-24.3 HB ILE 129 - QD1 LEU 53 far 0 98 0 - 7.8-10.1 HB3 PRO 117 - QD1 LEU 53 far 0 95 0 - 8.0-13.1 HB2 GLN 27 - QD2 LEU 122 far 0 44 0 - 8.5-17.0 HB VAL 20 - QD1 LEU 53 far 0 99 0 - 8.8-29.9 HB3 GLU 30 - QD1 LEU 53 far 0 89 0 - 9.3-23.1 HB3 PRO 56 - QD1 LEU 53 far 0 99 0 - 9.7-11.9 HB ILE 37 - QD2 LEU 122 far 0 53 0 - 9.8-17.6 HB2 GLU 91 - QD2 LEU 122 far 0 84 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 1674 from aliabs.peaks (1.94, 0.79, 26.16 ppm; 3.19 A): 2 out of 17 assignments used, quality = 1.00: * HG LEU 53 + QD1 LEU 53 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 49 + QD1 LEU 53 OK 37 81 50 91 1.8-6.1 1682/2.1=16, 1.8/1552=15...(33) HB3 LEU 49 - QD2 LEU 122 far 9 61 15 - 3.7-7.6 HG LEU 53 - QD2 LEU 122 far 4 84 5 - 3.5-9.8 HB3 LYS 95 - QD2 LEU 122 far 0 83 0 - 5.3-9.6 HB2 LYS 95 - QD2 LEU 122 far 0 84 0 - 5.8-9.2 HB2 PRO 113 - QD1 LEU 53 far 0 68 0 - 7.4-15.7 HB2 GLN 27 - QD1 LEU 53 far 0 60 0 - 7.8-24.3 HB2 PRO 113 - QD2 LEU 122 far 0 50 0 - 8.0-14.4 HB2 GLN 27 - QD2 LEU 122 far 0 44 0 - 8.5-17.0 HB2 LYS 95 - QD1 LEU 53 far 0 100 0 - 8.8-12.1 HB3 LYS 95 - QD1 LEU 53 far 0 100 0 - 8.9-12.3 HB2 PRO 58 - QD1 LEU 53 far 0 95 0 - 9.0-13.8 HG2 PRO 113 - QD1 LEU 53 far 0 100 0 - 9.0-16.7 HB2 PRO 58 - QD2 LEU 122 far 0 75 0 - 9.1-13.4 HB2 GLU 30 - QD1 LEU 53 far 0 100 0 - 9.4-22.2 HG2 PRO 113 - QD2 LEU 122 far 0 83 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 1675 from aliabs.peaks (0.79, 0.79, 26.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 53 + QD1 LEU 53 OK 100 100 - 100 QD2 LEU 122 + QD2 LEU 122 OK 81 81 - 100 Peak 1676 from aliabs.peaks (0.97, 0.79, 26.16 ppm; 2.61 A): 3 out of 13 assignments used, quality = 1.00: * QD2 LEU 53 + QD1 LEU 53 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 126 + QD2 LEU 122 OK 47 83 70 81 1.7-5.6 11681=20, 11678/3.1=16...(25) QG1 VAL 126 + QD2 LEU 122 OK 47 79 80 75 1.5-4.8 11676/2.1=15, 11613=13...(24) QG2 VAL 126 - QD1 LEU 53 poor 12 100 35 33 3.1-7.3 11679/2.1=8, 11681=6...(12) QG1 VAL 126 - QD1 LEU 53 poor 7 97 25 28 2.5-7.0 11613=5, 1668/2.1=5...(11) QD2 LEU 53 - QD2 LEU 122 far 4 84 5 - 1.9-8.0 QD1 LEU 119 - QD1 LEU 53 far 3 63 5 - 4.1-8.4 QD1 LEU 119 - QD2 LEU 122 far 0 46 0 - 4.2-8.0 QG1 VAL 57 - QD1 LEU 53 far 0 73 0 - 6.2-8.9 QG1 VAL 105 - QD2 LEU 122 far 0 75 0 - 7.1-11.2 QG1 VAL 57 - QD2 LEU 122 far 0 55 0 - 7.3-10.8 QG1 VAL 112 - QD2 LEU 122 far 0 84 0 - 7.6-13.7 QG1 VAL 112 - QD1 LEU 53 far 0 100 0 - 9.2-13.8 Violated in 0 structures by 0.00 A. Peak 1679 from aliabs.peaks (4.18, 0.97, 25.20 ppm; 3.13 A): 1 out of 5 assignments used, quality = 0.99: * HA LEU 53 + QD2 LEU 53 OK 99 100 100 99 1.8-3.8 1642=65, 1671/2.1=43...(15) HA GLU 128 - QD2 LEU 53 far 0 95 0 - 5.6-12.3 HA HIS 67 - QD2 LEU 53 far 0 63 0 - 7.7-15.0 HB THR 25 - QD2 LEU 53 far 0 97 0 - 7.9-21.4 HB THR 18 - QD2 LEU 53 far 0 100 0 - 8.6-33.7 Violated in 7 structures by 0.11 A. Peak 1680 from aliabs.peaks (1.52, 0.97, 25.20 ppm; 3.28 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.1-2.9 3.1=100 HB2 LEU 119 + QD2 LEU 53 OK 36 73 60 83 1.9-8.1 2.9/11845=25...(28) HB2 LEU 49 + QD2 LEU 53 OK 22 71 35 90 3.5-8.5 1.8/1682=18, ~1674=12...(36) HG LEU 69 - QD2 LEU 53 far 0 99 0 - 7.2-11.9 Violated in 0 structures by 0.00 A. Peak 1681 from aliabs.peaks (1.99, 0.97, 25.20 ppm; 3.58 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.2-3.2 3.1=100 HB2 GLU 55 - QD2 LEU 53 far 0 100 0 - 6.0-8.8 HB2 GLN 27 - QD2 LEU 53 far 0 60 0 - 6.1-23.6 HB VAL 63 - QD2 LEU 53 far 0 63 0 - 6.4-13.0 HB3 PRO 117 - QD2 LEU 53 far 0 95 0 - 7.4-14.0 HB3 PRO 56 - QD2 LEU 53 far 0 99 0 - 7.6-12.0 HB VAL 20 - QD2 LEU 53 far 0 99 0 - 7.8-30.0 HG3 PRO 56 - QD2 LEU 53 far 0 89 0 - 8.2-12.0 HB ILE 129 - QD2 LEU 53 far 0 98 0 - 8.2-12.2 HG2 PRO 56 - QD2 LEU 53 far 0 93 0 - 8.2-11.6 HB3 GLU 30 - QD2 LEU 53 far 0 89 0 - 8.3-23.8 Violated in 0 structures by 0.00 A. Peak 1682 from aliabs.peaks (1.94, 0.97, 25.20 ppm; 3.25 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 53 + QD2 LEU 53 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 49 + QD2 LEU 53 OK 34 81 45 92 2.3-7.2 1674/2.1=20...(35) HB2 PRO 113 - QD2 LEU 53 far 0 68 0 - 4.8-15.7 HB2 GLN 27 - QD2 LEU 53 far 0 60 0 - 6.1-23.6 HG2 PRO 113 - QD2 LEU 53 far 0 100 0 - 6.6-16.8 HB2 PRO 58 - QD2 LEU 53 far 0 95 0 - 7.2-14.0 HB2 GLU 30 - QD2 LEU 53 far 0 100 0 - 7.6-22.8 HB3 LYS 95 - QD2 LEU 53 far 0 100 0 - 9.1-13.3 HB2 LYS 95 - QD2 LEU 53 far 0 100 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 1683 from aliabs.peaks (0.79, 0.97, 25.20 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * QD1 LEU 53 + QD2 LEU 53 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 119 - QD2 LEU 53 poor 19 100 35 54 1.9-9.1 11621/1679=18...(14) QD1 LEU 122 - QD2 LEU 53 poor 19 95 20 - 3.6-8.1 QD2 LEU 49 - QD2 LEU 53 far 5 100 5 - 3.9-7.7 QD2 LEU 122 - QD2 LEU 53 far 5 99 5 - 1.9-8.0 QD1 LEU 103 - QD2 LEU 53 far 0 96 0 - 4.8-12.2 QD1 ILE 32 - QD2 LEU 53 far 0 71 0 - 5.5-14.9 QD1 LEU 70 - QD2 LEU 53 far 0 85 0 - 5.7-12.3 QG1 VAL 63 - QD2 LEU 53 far 0 97 0 - 6.1-12.0 QD1 LEU 96 - QD2 LEU 53 far 0 83 0 - 6.5-11.5 QD1 ILE 37 - QD2 LEU 53 far 0 71 0 - 9.7-17.2 Violated in 0 structures by 0.00 A. Peak 1684 from aliabs.peaks (0.97, 0.97, 25.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 53 + QD2 LEU 53 OK 100 100 - 100 Peak 1687 from aliabs.peaks (4.42, 4.42, 61.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 54 + HA THR 54 OK 100 100 - 100 Peak 1688 from aliabs.peaks (4.46, 4.42, 61.58 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 54 + HA THR 54 OK 100 100 100 100 2.4-2.9 3.0=100 HA ASN 121 - HA THR 54 far 0 81 0 - 7.8-13.6 Violated in 0 structures by 0.00 A. Peak 1689 from aliabs.peaks (1.24, 4.42, 61.58 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 54 + HA THR 54 OK 100 100 100 100 1.9-3.2 3.2=100 QG2 THR 65 - HA THR 54 far 0 92 0 - 8.3-11.3 Violated in 0 structures by 0.00 A. Peak 1691 from aliabs.peaks (4.22, 4.46, 69.33 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 51 + HB THR 54 OK 100 100 100 100 3.2-6.4 1614=100, 6672/4.0=85, ~9223=33 HA SER 124 - HB THR 54 poor 14 68 20 - 5.9-12.7 HA GLU 128 - HB THR 54 far 0 71 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 1693 from aliabs.peaks (4.42, 4.46, 69.33 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 54 + HB THR 54 OK 100 100 100 100 2.4-2.9 3.0=100 HA ASN 120 - HB THR 54 far 5 100 5 - 5.7-11.3 HA HIS 5 - HB THR 54 far 0 95 0 - 7.0-65.2 Violated in 0 structures by 0.00 A. Peak 1694 from aliabs.peaks (4.46, 4.46, 69.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 54 + HB THR 54 OK 100 100 - 100 Peak 1695 from aliabs.peaks (1.24, 4.46, 69.33 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 54 + HB THR 54 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 65 - HB THR 54 far 0 92 0 - 8.2-12.4 Violated in 0 structures by 0.00 A. Peak 1698 from aliabs.peaks (4.42, 1.24, 21.56 ppm; 2.89 A): 1 out of 3 assignments used, quality = 0.93: * HA THR 54 + QG2 THR 54 OK 93 100 100 93 1.9-3.2 1689=82, 3.0/6684=39...(5) HA ASN 120 - QG2 THR 54 far 0 100 0 - 4.4-10.9 HA HIS 5 - QG2 THR 54 far 0 95 0 - 6.1-53.9 Violated in 9 structures by 0.13 A. Peak 1699 from aliabs.peaks (4.46, 1.24, 21.56 ppm; 2.77 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 54 + QG2 THR 54 OK 100 100 100 100 2.1-2.1 2.1=100 HA ASN 121 - QG2 THR 54 far 0 81 0 - 8.3-13.5 Violated in 0 structures by 0.00 A. Peak 1700 from aliabs.peaks (1.24, 1.24, 21.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 54 + QG2 THR 54 OK 100 100 - 100 Peak 1702 from aliabs.peaks (7.75, 4.76, 53.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HA GLU 55 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1703 from aliabs.peaks (4.76, 4.76, 53.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HA GLU 55 OK 100 100 - 100 Peak 1704 from aliabs.peaks (1.99, 4.76, 53.40 ppm; 6.80 A): 5 out of 6 assignments used, quality = 1.00: * HB2 GLU 55 + HA GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 PRO 56 + HA GLU 55 OK 97 97 100 100 5.5-5.8 3.0/1734=53, 3.0/1732=53...(27) HG2 PRO 56 + HA GLU 55 OK 89 89 100 100 4.2-4.8 2.3/1734=53, 2.3/1732=53...(21) HG3 PRO 56 + HA GLU 55 OK 83 83 100 100 4.3-4.7 2.3/1734=53, 2.3/1732=53...(24) HB3 LEU 53 + HA GLU 55 OK 79 100 100 79 7.3-8.2 ~9267=41, ~9264=34...(5) HB VAL 20 - HA GLU 55 far 5 97 5 - 7.0-38.3 Violated in 0 structures by 0.00 A. Peak 1705 from aliabs.peaks (2.04, 4.76, 53.40 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 55 + HA GLU 55 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 PRO 113 - HA GLU 55 far 9 90 10 - 4.8-18.5 HB2 LEU 62 - HA GLU 55 far 0 90 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 1706 from aliabs.peaks (2.45, 4.76, 53.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 55 + HA GLU 55 OK 100 100 100 100 2.1-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1707 from aliabs.peaks (2.37, 4.76, 53.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 55 + HA GLU 55 OK 100 100 100 100 2.1-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1709 from aliabs.peaks (4.76, 1.99, 30.10 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HB2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1710 from aliabs.peaks (1.99, 1.99, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 55 + HB2 GLU 55 OK 100 100 - 100 HB3 GLU 30 + HB3 GLU 30 OK 22 22 - 100 Peak 1711 from aliabs.peaks (2.04, 1.99, 30.10 ppm; 3.07 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLU 55 + HB2 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 58 - HB3 GLU 30 far 0 26 0 - 5.1-28.4 HG3 PRO 58 - HB3 GLU 30 far 0 20 0 - 5.4-26.7 HG3 PRO 113 - HB2 GLU 55 far 0 90 0 - 5.6-19.7 HB3 GLN 27 - HB3 GLU 30 far 0 20 0 - 6.1-10.9 HB VAL 63 - HB3 GLU 30 far 0 22 0 - 7.1-20.5 QE MET 11 - HB3 GLU 30 far 0 26 0 - 7.6-28.7 HB3 GLN 27 - HB2 GLU 55 far 0 78 0 - 7.9-32.2 HB2 LEU 62 - HB2 GLU 55 far 0 90 0 - 8.4-10.9 HG2 ARG 90 - HB3 GLU 30 far 0 23 0 - 9.0-31.6 HB2 LEU 62 - HB3 GLU 30 far 0 25 0 - 9.1-22.1 HG3 PRO 58 - HB2 GLU 55 far 0 78 0 - 9.2-11.5 HG2 PRO 58 - HB2 GLU 55 far 0 92 0 - 9.6-11.7 HB2 GLU 44 - HB3 GLU 30 far 0 23 0 - 9.7-23.4 Violated in 0 structures by 0.00 A. Peak 1712 from aliabs.peaks (2.45, 1.99, 30.10 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 55 + HB2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 101 - HB3 GLU 30 far 0 20 0 - 8.7-25.9 Violated in 0 structures by 0.00 A. Peak 1713 from aliabs.peaks (2.37, 1.99, 30.10 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 55 + HB2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 104 - HB3 GLU 30 far 1 30 5 - 4.8-21.5 HG3 GLN 27 - HB2 GLU 55 far 0 60 0 - 9.6-32.5 Violated in 0 structures by 0.00 A. Peak 1714 from aliabs.peaks (7.75, 2.04, 30.10 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.4-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 1715 from aliabs.peaks (4.76, 2.04, 30.10 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1716 from aliabs.peaks (1.99, 2.04, 30.10 ppm; 3.00 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 55 + HB3 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 56 + HB3 GLU 55 OK 63 89 80 89 3.5-6.2 2491=27, 2.3/9282=18...(31) HG3 PRO 56 - HB3 GLU 55 far 12 83 15 - 4.4-6.9 HB VAL 20 - HB3 GLU 55 far 0 97 0 - 4.8-36.6 HB3 PRO 56 - HB3 GLU 55 far 0 97 0 - 5.1-7.3 HB3 LEU 53 - HB3 GLU 55 far 0 100 0 - 5.8-8.6 HB2 GLN 27 - HB3 GLU 55 far 0 68 0 - 9.9-32.7 Violated in 0 structures by 0.00 A. Peak 1717 from aliabs.peaks (2.04, 2.04, 30.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 55 + HB3 GLU 55 OK 100 100 - 100 Peak 1718 from aliabs.peaks (2.45, 2.04, 30.10 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1719 from aliabs.peaks (2.37, 2.04, 30.10 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 55 + HB3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1720 from aliabs.peaks (7.75, 2.45, 33.76 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HG2 GLU 55 OK 100 100 100 100 1.9-4.1 4.9=100 Violated in 0 structures by 0.00 A. Peak 1721 from aliabs.peaks (4.76, 2.45, 33.76 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.1-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1722 from aliabs.peaks (1.99, 2.45, 33.76 ppm; 3.58 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 PRO 81 + HG3 GLN 82 OK 22 48 60 76 3.6-7.7 ~11247=22, 11914/5.1=21...(15) HG2 PRO 81 - HG2 GLN 82 poor 17 37 45 - 2.3-7.3 HG2 PRO 56 - HG2 GLU 55 far 4 89 5 - 4.6-6.8 HB VAL 20 - HG2 GLU 55 far 0 97 0 - 5.2-35.3 HB3 LEU 53 - HG2 GLU 55 far 0 100 0 - 5.5-8.7 HG3 PRO 56 - HG2 GLU 55 far 0 83 0 - 5.5-7.5 HB3 PRO 56 - HG2 GLU 55 far 0 97 0 - 5.7-8.2 HB2 GLN 27 - HG2 GLU 55 far 0 68 0 - 7.9-29.7 Violated in 0 structures by 0.00 A. Peak 1723 from aliabs.peaks (2.04, 2.45, 33.76 ppm; 3.80 A): 1 out of 15 assignments used, quality = 1.00: * HB3 GLU 55 + HG2 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 PRO 81 - HG2 GLN 82 poor 19 44 50 87 4.0-8.3 11247/3.5=38, ~11246=22...(15) HB2 PRO 81 - HG3 GLN 82 poor 19 31 60 - 3.7-6.7 HB2 PRO 81 - HG2 GLN 82 poor 14 24 60 - 4.0-7.4 HG3 PRO 81 - HG3 GLN 82 poor 11 56 20 - 4.4-7.9 HG3 ARG 135 - HG2 GLN 82 far 0 43 0 - 5.5-13.5 HG3 ARG 135 - HG3 GLN 82 far 0 55 0 - 6.3-14.1 HB2 LEU 62 - HG2 GLU 55 far 0 90 0 - 7.3-12.1 HG3 PRO 113 - HG2 GLU 55 far 0 90 0 - 7.3-21.5 HB3 GLN 27 - HG2 GLU 55 far 0 78 0 - 7.5-30.5 HB2 GLN 134 - HG2 GLN 82 far 0 31 0 - 7.8-17.3 HG3 PRO 58 - HG2 GLU 55 far 0 78 0 - 8.4-12.7 HG2 PRO 58 - HG2 GLU 55 far 0 92 0 - 8.9-12.9 HB2 GLN 134 - HG3 GLN 82 far 0 41 0 - 9.0-17.9 HG2 ARG 90 - HG3 GLN 82 far 0 44 0 - 9.5-15.4 Violated in 0 structures by 0.00 A. Peak 1724 from aliabs.peaks (2.45, 2.45, 33.76 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 55 + HG2 GLU 55 OK 100 100 - 100 HG3 GLN 82 + HG3 GLN 82 OK 50 50 - 100 HG2 GLN 82 + HG2 GLN 82 OK 35 35 - 100 Peak 1725 from aliabs.peaks (2.37, 2.45, 33.76 ppm; 2.51 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HG2 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 27 - HG2 GLU 55 far 0 60 0 - 9.3-30.6 Violated in 0 structures by 0.00 A. Peak 1726 from aliabs.peaks (7.75, 2.37, 33.76 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.5-4.1 4.9=100 Violated in 0 structures by 0.00 A. Peak 1727 from aliabs.peaks (4.76, 2.37, 33.76 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.1-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1728 from aliabs.peaks (1.99, 2.37, 33.76 ppm; 4.30 A): 3 out of 7 assignments used, quality = 1.00: * HB2 GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 PRO 56 + HG3 GLU 55 OK 35 89 40 98 2.9-7.2 2.3/9291=36, 2.3/9284=34...(26) HG3 PRO 56 + HG3 GLU 55 OK 24 83 30 98 4.2-7.7 2.3/9291=36, 2.3/9284=34...(27) HB3 PRO 56 - HG3 GLU 55 far 5 97 5 - 4.3-8.2 HB VAL 20 - HG3 GLU 55 far 5 97 5 - 4.4-35.3 HB3 LEU 53 - HG3 GLU 55 far 0 100 0 - 5.9-8.8 HB2 GLN 27 - HG3 GLU 55 far 0 68 0 - 9.2-31.0 Violated in 0 structures by 0.00 A. Peak 1729 from aliabs.peaks (2.04, 2.37, 33.76 ppm; 4.56 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 55 + HG3 GLU 55 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 PRO 113 - HG3 GLU 55 far 0 90 0 - 6.8-20.6 HB2 LEU 62 - HG3 GLU 55 far 0 90 0 - 7.5-12.1 HG3 PRO 58 - HG3 GLU 55 far 0 78 0 - 8.8-12.7 HG2 PRO 58 - HG3 GLU 55 far 0 92 0 - 8.9-12.7 HB3 GLN 27 - HG3 GLU 55 far 0 78 0 - 9.0-31.8 QE MET 11 - HG3 GLU 55 far 0 93 0 - 10.0-36.5 Violated in 0 structures by 0.00 A. Peak 1730 from aliabs.peaks (2.45, 2.37, 33.76 ppm; 2.55 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 55 + HG3 GLU 55 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1731 from aliabs.peaks (2.37, 2.37, 33.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 55 + HG3 GLU 55 OK 100 100 - 100 Peak 1732 from aliabs.peaks (4.76, 3.66, 49.73 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 55 + HD2 PRO 56 OK 99 100 100 99 2.1-2.7 3.8=84, 3.0/9282=23...(30) HA GLU 55 + HD3 PRO 56 OK 89 90 100 99 2.3-2.5 3.8=84, 3.0/9282=23...(30) Violated in 0 structures by 0.00 A. Peak 1733 from aliabs.peaks (3.66, 4.76, 53.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HA GLU 55 OK 100 100 100 100 2.1-2.7 3.8=100 HD3 PRO 56 + HA GLU 55 OK 97 97 100 100 2.3-2.5 3.8=100 Violated in 0 structures by 0.00 A. Peak 1734 from aliabs.peaks (4.76, 3.65, 49.73 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 55 + HD3 PRO 56 OK 99 100 100 99 2.3-2.5 3.8=84, 3.0/9282=22...(30) HA GLU 55 + HD2 PRO 56 OK 89 90 100 99 2.1-2.7 3.8=84, 3.0/9282=23...(30) Violated in 0 structures by 0.00 A. Peak 1735 from aliabs.peaks (3.65, 4.76, 53.40 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 56 + HA GLU 55 OK 100 100 100 100 2.3-2.5 3.8=100 HD2 PRO 56 + HA GLU 55 OK 97 97 100 100 2.1-2.7 3.8=100 HD2 PRO 58 - HA GLU 55 far 0 63 0 - 9.0-9.3 Violated in 0 structures by 0.00 A. Peak 1736 from aliabs.peaks (4.67, 3.66, 49.73 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 56 + HD2 PRO 56 OK 100 100 100 100 4.1-4.1 3.6=100 HA PRO 56 + HD3 PRO 56 OK 90 90 100 100 3.6-3.6 3.6=100 HA ASN 13 - HD2 PRO 56 far 0 81 0 - 7.5-45.7 HA ASN 13 - HD3 PRO 56 far 0 66 0 - 8.9-45.6 Violated in 0 structures by 0.00 A. Peak 1737 from aliabs.peaks (2.13, 3.66, 49.73 ppm; 4.41 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 PRO 56 + HD3 PRO 56 OK 90 90 100 100 3.0-3.0 3.0=100 HB VAL 112 - HD3 PRO 56 far 0 74 0 - 9.5-18.1 Violated in 0 structures by 0.00 A. Peak 1738 from aliabs.peaks (2.00, 3.66, 49.73 ppm; 4.00 A): 8 out of 12 assignments used, quality = 1.00: * HB3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 4.0-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 97 97 100 100 2.7-2.7 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 97 97 100 100 2.0-4.0 4.8=58, 1.8/9282=37...(31) HB3 PRO 56 + HD3 PRO 56 OK 90 90 100 100 3.9-3.9 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 87 87 100 100 3.0-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 84 84 100 100 2.3-2.3 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 84 84 100 100 3.1-4.9 4.8=58, 1.8/9282=36...(31) HB VAL 20 - HD2 PRO 56 far 0 100 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 90 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 87 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 99 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1739 from aliabs.peaks (2.01, 3.66, 49.73 ppm; 4.01 A): 8 out of 12 assignments used, quality = 1.00: * HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 99 99 100 100 4.0-4.0 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 90 90 100 100 3.0-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 89 89 100 100 2.3-2.3 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 89 89 100 100 2.0-4.0 4.8=58, 1.8/9282=37...(31) HB3 PRO 56 + HD3 PRO 56 OK 87 87 100 100 3.9-3.9 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 74 74 100 100 3.1-4.9 4.8=58, 1.8/9282=36...(31) HB VAL 20 - HD2 PRO 56 far 0 99 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 87 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 79 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 93 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1740 from aliabs.peaks (2.01, 3.66, 49.73 ppm; 3.96 A): 8 out of 12 assignments used, quality = 1.00: * HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 97 97 100 100 4.0-4.0 3.0=100 HG3 PRO 56 + HD3 PRO 56 OK 90 90 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 89 89 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 84 84 100 100 3.9-3.9 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 83 83 100 100 2.0-4.0 4.8=56, 1.8/9282=36...(31) HB2 GLU 55 + HD3 PRO 56 OK 68 68 100 100 3.1-4.9 4.8=56, 1.8/9282=36...(31) HB VAL 20 - HD2 PRO 56 far 0 97 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 84 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 74 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 89 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1741 from aliabs.peaks (3.66, 3.66, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 HD3 PRO 56 + HD3 PRO 56 OK 83 83 - 100 Peak 1742 from aliabs.peaks (3.65, 3.66, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HD2 PRO 56 OK 97 97 - 100 HD3 PRO 56 + HD3 PRO 56 OK 90 90 - 100 Reference assignment not found: HD3 PRO 56 - HD2 PRO 56 Peak 1744 from aliabs.peaks (4.67, 3.65, 49.73 ppm; 4.73 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.6-3.6 3.6=100 HA PRO 56 + HD2 PRO 56 OK 90 90 100 100 4.1-4.1 3.6=100 HA ASN 13 - HD2 PRO 56 far 0 66 0 - 7.5-45.7 HA ASN 13 - HD3 PRO 56 far 0 81 0 - 8.9-45.6 Violated in 0 structures by 0.00 A. Peak 1745 from aliabs.peaks (2.13, 3.65, 49.73 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PRO 56 + HD2 PRO 56 OK 90 90 100 100 3.9-3.9 3.0=100 HB VAL 112 - HD3 PRO 56 far 0 89 0 - 9.5-18.1 Violated in 0 structures by 0.00 A. Peak 1746 from aliabs.peaks (2.00, 3.65, 49.73 ppm; 3.98 A): 8 out of 12 assignments used, quality = 1.00: * HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.0-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 97 97 100 100 2.3-2.3 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 97 97 100 100 3.1-4.9 4.8=57, 1.8/9282=36...(31) HB3 PRO 56 + HD2 PRO 56 OK 90 90 100 100 4.0-4.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 87 87 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 84 84 100 100 2.7-2.7 2.3=100 HB2 GLU 55 + HD2 PRO 56 OK 84 84 100 100 2.0-4.0 4.8=57, 1.8/9282=36...(31) HB VAL 20 - HD2 PRO 56 far 0 90 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 100 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 99 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 87 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1747 from aliabs.peaks (2.01, 3.65, 49.73 ppm; 3.99 A): 8 out of 12 assignments used, quality = 1.00: * HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.9-3.9 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 90 90 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 89 89 100 100 2.7-2.7 2.3=100 HB2 GLU 55 + HD3 PRO 56 OK 89 89 100 100 3.1-4.9 4.8=57, 1.8/9282=36...(31) HB3 PRO 56 + HD2 PRO 56 OK 87 87 100 100 4.0-4.0 3.0=100 HB2 GLU 55 + HD2 PRO 56 OK 74 74 100 100 2.0-4.0 4.8=57, 1.8/9282=36...(31) HB VAL 20 - HD2 PRO 56 far 0 87 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 99 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 93 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 79 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1748 from aliabs.peaks (2.01, 3.65, 49.73 ppm; 3.96 A): 8 out of 12 assignments used, quality = 1.00: * HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 97 97 100 100 3.9-3.9 3.0=100 HG3 PRO 56 + HD2 PRO 56 OK 90 90 100 100 2.7-2.7 2.3=100 HG2 PRO 56 + HD2 PRO 56 OK 89 89 100 100 2.3-2.3 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 84 84 100 100 4.0-4.0 3.0=100 HB2 GLU 55 + HD3 PRO 56 OK 83 83 100 100 3.1-4.9 4.8=56, 1.8/9282=35...(31) HB2 GLU 55 + HD2 PRO 56 OK 68 68 100 100 2.0-4.0 4.8=56, 1.8/9282=35...(31) HB VAL 20 - HD2 PRO 56 far 0 84 0 - 6.1-38.5 HB VAL 20 - HD3 PRO 56 far 0 97 0 - 7.8-39.9 HB3 LEU 53 - HD3 PRO 56 far 0 89 0 - 9.0-10.2 HB3 LEU 53 - HD2 PRO 56 far 0 74 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 1749 from aliabs.peaks (3.66, 3.65, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HD3 PRO 56 OK 97 97 - 100 HD2 PRO 56 + HD2 PRO 56 OK 90 90 - 100 Reference assignment not found: HD2 PRO 56 - HD3 PRO 56 Peak 1750 from aliabs.peaks (3.65, 3.65, 49.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 HD2 PRO 56 + HD2 PRO 56 OK 83 83 - 100 Peak 1752 from aliabs.peaks (4.67, 4.67, 62.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 56 + HA PRO 56 OK 100 100 - 100 Peak 1753 from aliabs.peaks (2.13, 4.67, 62.91 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HA PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 112 - HA PRO 56 far 0 89 0 - 6.4-14.8 Violated in 0 structures by 0.00 A. Peak 1754 from aliabs.peaks (2.00, 4.67, 62.91 ppm; 3.99 A): 3 out of 8 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 56 + HA PRO 56 OK 99 99 100 100 3.9-3.9 3.8=100 HG3 PRO 56 + HA PRO 56 OK 97 97 100 100 4.0-4.0 3.8=100 HB2 GLU 55 - HA PRO 56 poor 19 97 20 - 4.8-6.0 HG2 PRO 58 - HA PRO 56 far 0 68 0 - 8.0-8.8 HB3 LEU 53 - HA PRO 56 far 0 99 0 - 8.3-9.8 HB3 PRO 117 - HA PRO 56 far 0 99 0 - 8.9-18.7 HB VAL 20 - HA PRO 56 far 0 100 0 - 9.3-39.3 Violated in 0 structures by 0.00 A. Peak 1755 from aliabs.peaks (2.01, 4.67, 62.91 ppm; 4.00 A): 3 out of 8 assignments used, quality = 1.00: * HG2 PRO 56 + HA PRO 56 OK 100 100 100 100 3.9-3.9 3.8=100 HG3 PRO 56 + HA PRO 56 OK 100 100 100 100 4.0-4.0 3.8=100 HB3 PRO 56 + HA PRO 56 OK 99 99 100 100 2.7-2.7 2.3=100 HB2 GLU 55 - HA PRO 56 poor 18 89 20 - 4.8-6.0 HG2 PRO 58 - HA PRO 56 far 0 85 0 - 8.0-8.8 HB3 LEU 53 - HA PRO 56 far 0 93 0 - 8.3-9.8 HB3 PRO 117 - HA PRO 56 far 0 100 0 - 8.9-18.7 HB VAL 20 - HA PRO 56 far 0 99 0 - 9.3-39.3 Violated in 0 structures by 0.00 A. Peak 1756 from aliabs.peaks (2.01, 4.67, 62.91 ppm; 4.10 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 56 + HA PRO 56 OK 100 100 100 100 4.0-4.0 3.8=100 HG2 PRO 56 + HA PRO 56 OK 100 100 100 100 3.9-3.9 3.8=100 HB3 PRO 56 + HA PRO 56 OK 97 97 100 100 2.7-2.7 2.3=100 HB2 GLU 55 - HA PRO 56 poor 14 83 30 55 4.8-6.0 9281/3.6=20, 9281/3.6=19...(7) HG2 PRO 58 - HA PRO 56 far 0 90 0 - 8.0-8.8 HB3 LEU 53 - HA PRO 56 far 0 89 0 - 8.3-9.8 HB3 PRO 117 - HA PRO 56 far 0 100 0 - 8.9-18.7 HB VAL 20 - HA PRO 56 far 0 97 0 - 9.3-39.3 Violated in 0 structures by 0.00 A. Peak 1757 from aliabs.peaks (3.66, 4.67, 62.91 ppm; 5.44 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HA PRO 56 OK 100 100 100 100 4.1-4.1 3.6=100 HD3 PRO 56 + HA PRO 56 OK 97 97 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1758 from aliabs.peaks (3.65, 4.67, 62.91 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 56 + HA PRO 56 OK 100 100 100 100 3.6-3.6 3.6=100 HD2 PRO 56 + HA PRO 56 OK 97 97 100 100 4.1-4.1 3.6=100 HD2 PRO 58 - HA PRO 56 far 3 63 5 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 1760 from aliabs.peaks (4.67, 2.13, 29.15 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HA ASN 13 - HB2 PRO 56 far 0 81 0 - 8.0-44.9 Violated in 0 structures by 0.00 A. Peak 1761 from aliabs.peaks (2.13, 2.13, 29.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 Peak 1762 from aliabs.peaks (2.00, 2.13, 29.15 ppm; 2.99 A): 3 out of 7 assignments used, quality = 1.00: * HB3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 56 + HB2 PRO 56 OK 99 99 100 100 3.0-3.0 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 97 97 100 100 2.3-2.3 2.3=100 HB2 GLU 55 - HB2 PRO 56 far 0 97 0 - 5.5-6.8 HG2 PRO 58 - HB2 PRO 56 far 0 68 0 - 8.7-10.1 HB VAL 20 - HB2 PRO 56 far 0 100 0 - 9.8-41.0 HB3 PRO 117 - HB2 PRO 56 far 0 99 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 1763 from aliabs.peaks (2.01, 2.13, 29.15 ppm; 3.60 A): 3 out of 7 assignments used, quality = 1.00: * HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 PRO 56 far 0 89 0 - 5.5-6.8 HG2 PRO 58 - HB2 PRO 56 far 0 85 0 - 8.7-10.1 HB VAL 20 - HB2 PRO 56 far 0 99 0 - 9.8-41.0 HB3 PRO 117 - HB2 PRO 56 far 0 100 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 1764 from aliabs.peaks (2.01, 2.13, 29.15 ppm; 3.62 A): 3 out of 7 assignments used, quality = 1.00: * HG3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 97 97 100 100 1.8-1.8 1.8=100 HB2 GLU 55 - HB2 PRO 56 far 0 83 0 - 5.5-6.8 HG2 PRO 58 - HB2 PRO 56 far 0 90 0 - 8.7-10.1 HB VAL 20 - HB2 PRO 56 far 0 97 0 - 9.8-41.0 HB3 PRO 117 - HB2 PRO 56 far 0 100 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 1765 from aliabs.peaks (3.66, 2.13, 29.15 ppm; 4.87 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HD3 PRO 56 + HB2 PRO 56 OK 97 97 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1766 from aliabs.peaks (3.65, 2.13, 29.15 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 PRO 56 + HB2 PRO 56 OK 97 97 100 100 3.9-3.9 3.0=100 HD2 PRO 58 - HB2 PRO 56 far 0 63 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 1768 from aliabs.peaks (4.67, 2.00, 29.15 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HA ASN 13 - HB3 PRO 56 far 0 81 0 - 6.4-44.7 Violated in 0 structures by 0.00 A. Peak 1769 from aliabs.peaks (2.13, 2.00, 29.15 ppm; 3.22 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 112 - HB3 PRO 56 far 0 89 0 - 6.3-16.3 Violated in 0 structures by 0.00 A. Peak 1770 from aliabs.peaks (2.00, 2.00, 29.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 56 + HB3 PRO 56 OK 100 100 - 100 HB2 GLU 91 + HB2 GLU 91 OK 69 69 - 100 Peak 1771 from aliabs.peaks (2.01, 2.00, 29.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 PRO 56 + HB3 PRO 56 OK 99 99 - 100 HB2 GLU 91 + HB2 GLU 91 OK 63 63 - 100 Reference assignment not found: HG2 PRO 56 - HB3 PRO 56 Peak 1772 from aliabs.peaks (2.01, 2.00, 29.15 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB3 PRO 56 + HB3 PRO 56 OK 97 97 - 100 HB2 GLU 91 + HB2 GLU 91 OK 58 58 - 100 Reference assignment not found: HG3 PRO 56 - HB3 PRO 56 Peak 1773 from aliabs.peaks (3.66, 2.00, 29.15 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 4.0-4.0 3.0=100 HD3 PRO 56 + HB3 PRO 56 OK 97 97 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1774 from aliabs.peaks (3.65, 2.00, 29.15 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HD2 PRO 56 + HB3 PRO 56 OK 97 97 100 100 4.0-4.0 3.0=100 HD2 PRO 58 - HB3 PRO 56 far 3 63 5 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 1776 from aliabs.peaks (4.67, 2.01, 27.39 ppm; 4.78 A): 2 out of 5 assignments used, quality = 1.00: * HA PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 56 + HG3 PRO 56 OK 100 100 100 100 4.0-4.0 3.8=100 HA ASN 13 - HG2 PRO 56 far 4 81 5 - 6.0-45.9 HA ASN 13 - HG3 PRO 56 far 0 80 0 - 7.2-46.7 HA PRO 56 - HG2 PRO 58 far 0 29 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 1777 from aliabs.peaks (2.13, 2.01, 27.39 ppm; 3.54 A): 3 out of 7 assignments used, quality = 1.00: * HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 81 + HG2 PRO 81 OK 99 99 100 100 2.3-3.0 2.3=100 HB VAL 112 - HG2 PRO 58 far 0 23 0 - 7.3-19.8 HB VAL 112 - HG3 PRO 56 far 0 88 0 - 8.2-18.0 HB VAL 112 - HG2 PRO 56 far 0 89 0 - 8.4-18.2 HB2 PRO 56 - HG2 PRO 58 far 0 29 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 1778 from aliabs.peaks (2.00, 2.01, 27.39 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 PRO 56 + HG2 PRO 56 OK 99 99 - 100 HG2 PRO 81 + HG2 PRO 81 OK 98 98 - 100 HG3 PRO 56 + HG3 PRO 56 OK 97 97 - 100 Reference assignment not found: HB3 PRO 56 - HG2 PRO 56 Peak 1779 from aliabs.peaks (2.01, 2.01, 27.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 99 99 - 100 HG2 PRO 58 + HG2 PRO 58 OK 21 21 - 100 Peak 1780 from aliabs.peaks (2.01, 2.01, 27.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 99 99 - 100 HG2 PRO 58 + HG2 PRO 58 OK 23 23 - 100 Reference assignment not found: HG3 PRO 56 - HG2 PRO 56 Peak 1781 from aliabs.peaks (3.66, 2.01, 27.39 ppm; 4.49 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 97 97 100 100 3.0-3.0 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 96 96 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 1782 from aliabs.peaks (3.65, 2.01, 27.39 ppm; 4.13 A): 4 out of 6 assignments used, quality = 1.00: * HD3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 97 97 100 100 2.3-2.3 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 96 96 100 100 2.7-2.7 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 0 63 0 - 6.8-7.5 HD2 PRO 58 - HG3 PRO 56 far 0 62 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1783 from aliabs.peaks (8.01, 2.01, 27.39 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(10) H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.7-5.8 6697/3.8=100...(7) H VAL 57 + HG2 PRO 58 OK 25 29 100 84 6.5-7.0 ~1794=43, ~1794=37...(4) H SER 130 - HG2 PRO 81 far 0 60 0 - 9.4-12.9 H ALA 52 - HG2 PRO 56 far 0 85 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1784 from aliabs.peaks (4.67, 2.01, 27.39 ppm; 4.78 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 56 + HG3 PRO 56 OK 100 100 100 100 4.0-4.0 3.8=100 HA PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.9-3.9 3.8=100 HA ASN 13 - HG2 PRO 56 far 4 80 5 - 6.0-45.9 HA ASN 13 - HG3 PRO 56 far 0 81 0 - 7.2-46.7 HA ASN 13 - HG2 PRO 58 far 0 24 0 - 7.6-40.7 HA PRO 56 - HG2 PRO 58 far 0 36 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 1785 from aliabs.peaks (2.13, 2.01, 27.39 ppm; 3.54 A): 3 out of 7 assignments used, quality = 1.00: * HB2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 81 + HG2 PRO 81 OK 98 98 100 100 2.3-3.0 2.3=100 HB VAL 112 - HG2 PRO 58 far 0 28 0 - 7.3-19.8 HB VAL 112 - HG3 PRO 56 far 0 89 0 - 8.2-18.0 HB VAL 112 - HG2 PRO 56 far 0 88 0 - 8.4-18.2 HB2 PRO 56 - HG2 PRO 58 far 0 36 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 1786 from aliabs.peaks (2.00, 2.01, 27.39 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 PRO 56 + HG2 PRO 56 OK 98 98 - 100 HG3 PRO 56 + HG3 PRO 56 OK 97 97 - 100 HG2 PRO 81 + HG2 PRO 81 OK 97 97 - 100 Reference assignment not found: HB3 PRO 56 - HG3 PRO 56 Peak 1787 from aliabs.peaks (2.01, 2.01, 27.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 98 98 - 100 HG2 PRO 58 + HG2 PRO 58 OK 26 26 - 100 Reference assignment not found: HG2 PRO 56 - HG3 PRO 56 Peak 1788 from aliabs.peaks (2.01, 2.01, 27.39 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 HG2 PRO 81 + HG2 PRO 81 OK 97 97 - 100 HG2 PRO 58 + HG2 PRO 58 OK 29 29 - 100 Peak 1789 from aliabs.peaks (3.66, 2.01, 27.39 ppm; 4.49 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 97 97 100 100 2.3-2.3 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 96 96 100 100 3.0-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 1790 from aliabs.peaks (3.65, 2.01, 27.39 ppm; 4.13 A): 4 out of 6 assignments used, quality = 1.00: * HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 97 97 100 100 2.7-2.7 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 96 96 100 100 2.3-2.3 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 0 62 0 - 6.8-7.5 HD2 PRO 58 - HG3 PRO 56 far 0 63 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1791 from aliabs.peaks (8.01, 2.01, 27.39 ppm; 6.80 A): 3 out of 5 assignments used, quality = 1.00: * H VAL 57 + HG3 PRO 56 OK 100 100 100 100 5.7-5.8 6697/3.8=100...(7) H VAL 57 + HG2 PRO 56 OK 100 100 100 100 5.0-5.0 6697/3.8=100...(10) H VAL 57 + HG2 PRO 58 OK 30 36 100 84 6.5-7.0 ~1794=43, ~1794=37...(4) H SER 130 - HG2 PRO 81 far 0 59 0 - 9.4-12.9 H ALA 52 - HG2 PRO 56 far 0 84 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1793 from aliabs.peaks (4.59, 4.59, 58.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HA VAL 57 OK 100 100 - 100 Peak 1794 from aliabs.peaks (2.09, 4.59, 58.62 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: * HB VAL 57 + HA VAL 57 OK 100 100 100 100 2.5-2.8 3.0=100 HG3 PRO 58 + HA VAL 57 OK 67 68 100 98 4.2-4.7 ~9309=29, ~9308=29...(26) HB3 GLN 61 - HA VAL 57 far 5 97 5 - 4.6-7.4 HB2 GLN 61 - HA VAL 57 far 0 99 0 - 5.4-7.9 HB VAL 112 - HA VAL 57 far 0 68 0 - 7.3-17.6 Violated in 0 structures by 0.00 A. Peak 1795 from aliabs.peaks (0.86, 4.59, 58.62 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 57 + HA VAL 57 OK 100 100 100 100 3.0-3.2 3.2=100 QD2 LEU 123 - HA VAL 57 far 0 71 0 - 7.9-12.0 QD2 LEU 22 - HA VAL 57 far 0 90 0 - 8.2-28.9 Violated in 0 structures by 0.00 A. Peak 1796 from aliabs.peaks (0.94, 4.59, 58.62 ppm; 3.58 A): 1 out of 8 assignments used, quality = 1.00: * QG1 VAL 57 + HA VAL 57 OK 100 100 100 100 1.9-2.3 3.2=100 QD1 LEU 119 - HA VAL 57 far 5 100 5 - 5.0-13.2 QG2 VAL 112 - HA VAL 57 far 4 85 5 - 4.8-15.5 QD1 LEU 62 - HA VAL 57 far 3 60 5 - 5.0-8.0 QD2 LEU 53 - HA VAL 57 far 0 73 0 - 6.1-11.6 QG1 VAL 112 - HA VAL 57 far 0 76 0 - 6.5-13.4 QD1 LEU 123 - HA VAL 57 far 0 89 0 - 6.9-13.3 QD1 LEU 49 - HA VAL 57 far 0 57 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 1798 from aliabs.peaks (4.59, 2.09, 32.84 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HB VAL 57 OK 100 100 100 100 2.5-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1799 from aliabs.peaks (2.09, 2.09, 32.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 57 + HB VAL 57 OK 100 100 - 100 Peak 1800 from aliabs.peaks (0.86, 2.09, 32.84 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 57 + HB VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 123 - HB VAL 57 far 0 71 0 - 5.8-10.4 QD2 LEU 22 - HB VAL 57 far 0 90 0 - 7.2-26.8 QG2 ILE 32 - HB VAL 57 far 0 87 0 - 9.4-18.8 QD2 LEU 69 - HB VAL 57 far 0 98 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 1801 from aliabs.peaks (0.94, 2.09, 32.84 ppm; 3.30 A): 1 out of 10 assignments used, quality = 1.00: * QG1 VAL 57 + HB VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 53 - HB VAL 57 poor 18 73 25 - 4.1-10.5 QD1 LEU 62 - HB VAL 57 poor 12 60 20 - 3.5-6.3 QD1 LEU 119 - HB VAL 57 far 5 100 5 - 4.7-12.3 QD1 LEU 123 - HB VAL 57 far 0 89 0 - 5.1-12.1 QG2 VAL 112 - HB VAL 57 far 0 85 0 - 6.4-15.5 QD1 LEU 49 - HB VAL 57 far 0 57 0 - 7.0-10.3 QG1 VAL 112 - HB VAL 57 far 0 76 0 - 7.5-13.5 QG2 VAL 126 - HB VAL 57 far 0 83 0 - 9.2-12.9 QG1 VAL 126 - HB VAL 57 far 0 93 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 1803 from aliabs.peaks (4.59, 0.86, 19.34 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + QG2 VAL 57 OK 100 100 100 100 3.0-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 1804 from aliabs.peaks (2.09, 0.86, 19.34 ppm; 2.78 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 57 + QG2 VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 61 - QG2 VAL 57 far 0 99 0 - 4.4-6.4 HB3 GLN 61 - QG2 VAL 57 far 0 97 0 - 4.8-6.4 HG3 PRO 58 - QG2 VAL 57 far 0 68 0 - 4.9-5.9 HB VAL 112 - QG2 VAL 57 far 0 68 0 - 7.0-13.8 HB3 GLN 27 - QG2 VAL 57 far 0 68 0 - 7.0-22.3 HB VAL 118 - QG2 VAL 57 far 0 73 0 - 7.6-14.2 HB VAL 126 - QG2 VAL 57 far 0 85 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1805 from aliabs.peaks (0.86, 0.86, 19.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 57 + QG2 VAL 57 OK 100 100 - 100 Peak 1806 from aliabs.peaks (0.94, 0.86, 19.34 ppm; 2.50 A): 2 out of 11 assignments used, quality = 1.00: * QG1 VAL 57 + QG2 VAL 57 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 + QG2 VAL 57 OK 22 60 45 80 2.1-5.6 2.1/9319=41, 2.1/9316=33...(9) QD2 LEU 53 - QG2 VAL 57 poor 9 73 40 29 2.6-7.2 10338/9319=16...(3) QD1 LEU 123 - QG2 VAL 57 poor 5 89 25 23 3.2-8.6 10347/9319=17...(3) QD1 LEU 119 - QG2 VAL 57 lone 3 100 30 11 2.7-9.7 6707/1802=6, 3801/9316=4 QD1 LEU 49 - QG2 VAL 57 far 0 57 0 - 5.1-7.5 QG2 VAL 112 - QG2 VAL 57 far 0 85 0 - 5.3-12.5 QG1 VAL 112 - QG2 VAL 57 far 0 76 0 - 5.8-10.8 QG1 VAL 126 - QG2 VAL 57 far 0 93 0 - 7.1-10.0 QG2 VAL 126 - QG2 VAL 57 far 0 83 0 - 7.1-10.3 QG2 ILE 37 - QG2 VAL 57 far 0 99 0 - 9.6-17.9 Violated in 0 structures by 0.00 A. Peak 1808 from aliabs.peaks (4.59, 0.94, 21.27 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.99: * HA VAL 57 + QG1 VAL 57 OK 99 100 100 99 1.9-2.3 3.2=89, 3.0/1807=35...(14) Violated in 0 structures by 0.00 A. Peak 1809 from aliabs.peaks (2.09, 0.94, 21.27 ppm; 2.76 A): 3 out of 11 assignments used, quality = 1.00: * HB VAL 57 + QG1 VAL 57 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 PRO 58 + QG1 VAL 57 OK 56 68 85 96 3.6-4.6 2.3/9309=41, 2.3/9308=40...(27) HB3 GLN 61 + QG1 VAL 57 OK 41 97 45 94 3.5-5.2 9378/2.1=33, 3.0/9377=26...(27) HB2 GLN 61 - QG1 VAL 57 poor 20 99 20 - 3.3-5.2 HB2 GLU 102 - QG1 VAL 105 far 6 64 10 - 4.1-8.0 HB3 GLN 27 - QG1 VAL 57 far 0 68 0 - 6.5-23.2 HB3 GLN 27 - QG1 VAL 105 far 0 38 0 - 6.6-22.9 HB VAL 112 - QG1 VAL 105 far 0 38 0 - 7.3-17.3 HB VAL 118 - QG1 VAL 105 far 0 42 0 - 7.9-12.1 HB VAL 112 - QG1 VAL 57 far 0 68 0 - 7.9-16.0 HB VAL 118 - QG1 VAL 57 far 0 73 0 - 10.0-16.7 Violated in 0 structures by 0.00 A. Peak 1810 from aliabs.peaks (0.86, 0.94, 21.27 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * QG2 VAL 57 + QG1 VAL 57 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 123 - QG1 VAL 57 far 0 71 0 - 5.1-9.2 QD2 LEU 22 - QG1 VAL 57 far 0 90 0 - 5.7-22.9 QD2 LEU 98 - QG1 VAL 105 far 0 40 0 - 5.8-10.6 QD2 LEU 70 - QG1 VAL 105 far 0 67 0 - 6.3-11.3 QD1 LEU 98 - QG1 VAL 105 far 0 67 0 - 7.1-11.5 QG2 ILE 32 - QG1 VAL 57 far 0 87 0 - 7.3-16.8 QG2 ILE 32 - QG1 VAL 105 far 0 52 0 - 7.5-18.1 QD2 LEU 69 - QG1 VAL 57 far 0 98 0 - 8.1-13.0 QD2 LEU 22 - QG1 VAL 105 far 0 55 0 - 9.6-28.7 Violated in 0 structures by 0.00 A. Peak 1811 from aliabs.peaks (0.94, 0.94, 21.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 57 + QG1 VAL 57 OK 100 100 - 100 QG1 VAL 105 + QG1 VAL 105 OK 61 61 - 100 Peak 1812 from aliabs.peaks (4.59, 3.62, 50.62 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HD2 PRO 58 OK 100 100 100 100 2.1-2.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1813 from aliabs.peaks (3.62, 4.59, 58.62 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HA VAL 57 OK 100 100 100 100 2.1-2.6 3.8=100 HD3 PRO 56 - HA VAL 57 far 0 63 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 1814 from aliabs.peaks (4.59, 3.82, 50.62 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HD3 PRO 58 OK 100 100 100 100 2.3-2.4 3.8=100 Violated in 0 structures by 0.00 A. Peak 1815 from aliabs.peaks (3.82, 4.59, 58.62 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 58 + HA VAL 57 OK 100 100 100 100 2.3-2.4 3.8=100 HA LEU 62 - HA VAL 57 far 0 90 0 - 7.0-8.6 HB2 SER 9 - HA VAL 57 far 0 99 0 - 9.4-53.4 HB3 SER 9 - HA VAL 57 far 0 83 0 - 9.4-51.8 Violated in 0 structures by 0.00 A. Peak 1816 from aliabs.peaks (4.45, 3.62, 50.62 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HD2 PRO 58 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 1817 from aliabs.peaks (1.95, 3.62, 50.62 ppm; 5.06 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HB2 GLU 30 - HD2 PRO 58 far 0 97 0 - 7.3-28.1 HG2 PRO 113 - HD2 PRO 58 far 0 89 0 - 7.6-16.7 HG LEU 53 - HD2 PRO 58 far 0 95 0 - 8.3-12.5 HB2 GLN 27 - HD2 PRO 58 far 0 90 0 - 9.3-25.7 Violated in 0 structures by 0.00 A. Peak 1818 from aliabs.peaks (2.41, 3.62, 50.62 ppm; 5.42 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HG3 GLN 61 + HD2 PRO 58 OK 100 100 100 100 2.7-5.0 10935=98, 1.8/10934=77...(25) Violated in 0 structures by 0.00 A. Peak 1819 from aliabs.peaks (2.03, 3.62, 50.62 ppm; 4.73 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 QE MET 11 - HD2 PRO 58 far 5 100 5 - 5.8-37.2 HB3 PRO 56 - HD2 PRO 58 far 3 68 5 - 6.0-6.9 HG2 PRO 56 - HD2 PRO 58 far 0 85 0 - 6.8-7.5 HB3 GLU 30 - HD2 PRO 58 far 0 90 0 - 6.9-27.4 HB VAL 20 - HD2 PRO 58 far 0 68 0 - 7.1-34.5 HB3 GLU 55 - HD2 PRO 58 far 0 92 0 - 7.2-9.1 HG3 PRO 56 - HD2 PRO 58 far 0 90 0 - 8.3-9.0 HB3 MET 11 - HD2 PRO 58 far 0 93 0 - 8.7-45.2 HB VAL 63 - HD2 PRO 58 far 0 100 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 1820 from aliabs.peaks (2.06, 3.62, 50.62 ppm; 4.37 A): 3 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB VAL 57 + HD2 PRO 58 OK 68 68 100 100 1.8-3.1 2.1/9309=92, 4.8=74...(26) HB2 LEU 62 + HD2 PRO 58 OK 48 99 75 64 4.5-7.2 1973/1.8=16, ~1983=15...(12) HG3 PRO 113 - HD2 PRO 58 far 0 99 0 - 6.3-16.7 HB3 GLU 55 - HD2 PRO 58 far 0 78 0 - 7.2-9.1 HB3 GLN 27 - HD2 PRO 58 far 0 100 0 - 9.4-26.3 Violated in 0 structures by 0.00 A. Peak 1821 from aliabs.peaks (3.62, 3.62, 50.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 58 + HD2 PRO 58 OK 100 100 - 100 Peak 1822 from aliabs.peaks (3.82, 3.62, 50.62 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 58 + HD2 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 62 - HD2 PRO 58 far 0 90 0 - 5.9-7.4 HB3 SER 9 - HD2 PRO 58 far 0 83 0 - 8.8-49.9 HB2 SER 9 - HD2 PRO 58 far 0 99 0 - 9.1-51.5 Violated in 0 structures by 0.00 A. Peak 1824 from aliabs.peaks (4.45, 3.82, 50.62 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1825 from aliabs.peaks (1.95, 3.82, 50.62 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HG2 PRO 113 - HD3 PRO 58 far 0 89 0 - 7.1-16.2 HB2 GLU 30 - HD3 PRO 58 far 0 97 0 - 8.1-29.5 HG LEU 53 - HD3 PRO 58 far 0 95 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1826 from aliabs.peaks (2.41, 3.82, 50.62 ppm; 4.77 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HG3 GLN 61 + HD3 PRO 58 OK 90 100 90 100 4.2-6.7 10935/1.8=75...(23) Violated in 0 structures by 0.00 A. Peak 1827 from aliabs.peaks (2.03, 3.82, 50.62 ppm; 3.92 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 QE MET 11 - HD3 PRO 58 far 5 100 5 - 5.0-38.4 HB3 PRO 56 - HD3 PRO 58 far 3 68 5 - 5.0-6.3 HG2 PRO 56 - HD3 PRO 58 far 0 85 0 - 6.3-7.2 HB3 GLU 30 - HD3 PRO 58 far 0 90 0 - 7.2-28.9 HG3 PRO 56 - HD3 PRO 58 far 0 90 0 - 7.5-8.6 HB3 GLU 55 - HD3 PRO 58 far 0 92 0 - 7.7-9.3 HB VAL 20 - HD3 PRO 58 far 0 68 0 - 8.0-35.9 HB3 MET 11 - HD3 PRO 58 far 0 93 0 - 8.4-46.6 HB VAL 63 - HD3 PRO 58 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1828 from aliabs.peaks (2.06, 3.82, 50.62 ppm; 4.09 A): 2 out of 5 assignments used, quality = 1.00: * HG3 PRO 58 + HD3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 57 + HD3 PRO 58 OK 68 68 100 100 3.3-4.3 2.1/9308=85, 4.8=61...(24) HG3 PRO 113 - HD3 PRO 58 far 5 99 5 - 5.5-16.4 HB2 LEU 62 - HD3 PRO 58 far 0 99 0 - 5.8-8.4 HB3 GLU 55 - HD3 PRO 58 far 0 78 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 1829 from aliabs.peaks (3.62, 3.82, 50.62 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HD3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 PRO 56 - HD3 PRO 58 far 0 63 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 1830 from aliabs.peaks (3.82, 3.82, 50.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 58 + HD3 PRO 58 OK 100 100 - 100 Peak 1832 from aliabs.peaks (4.45, 4.45, 62.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HA PRO 58 OK 100 100 - 100 Peak 1833 from aliabs.peaks (1.95, 4.45, 62.57 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 58 + HA PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 113 - HA PRO 58 far 9 89 10 - 3.9-13.0 HB2 GLU 30 - HA PRO 58 far 0 97 0 - 9.6-28.0 Violated in 0 structures by 0.00 A. Peak 1834 from aliabs.peaks (2.41, 4.45, 62.57 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HA PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HG3 GLN 61 - HA PRO 58 far 15 100 15 - 4.7-7.3 HG2 GLN 104 - HA PRO 58 far 0 60 0 - 9.6-14.8 Violated in 0 structures by 0.00 A. Peak 1835 from aliabs.peaks (2.03, 4.45, 62.57 ppm; 3.92 A): 1 out of 9 assignments used, quality = 1.00: * HG2 PRO 58 + HA PRO 58 OK 100 100 100 100 3.9-4.0 3.8=100 HB3 PRO 56 - HA PRO 58 far 0 68 0 - 6.5-7.4 QE MET 11 - HA PRO 58 far 0 100 0 - 6.6-40.3 HB VAL 63 - HA PRO 58 far 0 100 0 - 7.8-8.9 HG2 PRO 56 - HA PRO 58 far 0 85 0 - 8.1-9.0 HB VAL 20 - HA PRO 58 far 0 68 0 - 8.6-37.5 HB3 GLU 30 - HA PRO 58 far 0 90 0 - 8.8-27.5 HG3 PRO 56 - HA PRO 58 far 0 90 0 - 9.1-10.0 HB3 GLU 55 - HA PRO 58 far 0 92 0 - 9.6-11.5 Violated in 19 structures by 0.10 A. Peak 1836 from aliabs.peaks (2.06, 4.45, 62.57 ppm; 4.59 A): 3 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HA PRO 58 OK 100 100 100 100 3.9-4.0 3.8=100 HB VAL 57 + HA PRO 58 OK 65 68 100 95 4.6-4.9 ~10929=45, 2.1/10926=40...(12) HB2 LEU 62 + HA PRO 58 OK 50 99 85 59 4.8-6.6 6713/6709=20...(10) HG3 PRO 113 - HA PRO 58 lone 3 99 25 13 2.4-13.0 2.3/11566=6, 1864=4, 2.3/11508=2 HB VAL 118 - HA PRO 58 far 0 100 0 - 9.3-17.7 HB3 GLU 55 - HA PRO 58 far 0 78 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 1837 from aliabs.peaks (3.62, 4.45, 62.57 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HA PRO 58 OK 100 100 100 100 4.1-4.1 3.6=100 HD3 PRO 56 - HA PRO 58 far 0 63 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 1838 from aliabs.peaks (3.82, 4.45, 62.57 ppm; 6.13 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 58 + HA PRO 58 OK 100 100 100 100 3.6-3.6 3.6=100 HA LEU 62 + HA PRO 58 OK 36 90 45 90 7.2-8.3 ~9333=36, ~9331=33...(10) Violated in 0 structures by 0.00 A. Peak 1840 from aliabs.peaks (4.45, 1.95, 32.16 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HA SER 106 - HB2 PRO 58 far 0 100 0 - 9.1-17.9 HA ASP 64 - HB2 PRO 58 far 0 100 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 1841 from aliabs.peaks (1.95, 1.95, 32.16 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 PRO 58 + HB2 PRO 58 OK 100 100 - 100 HB3 LYS 95 + HB3 LYS 95 OK 89 89 - 100 HB3 PRO 81 + HB3 PRO 81 OK 84 84 - 100 HB2 LYS 95 + HB2 LYS 95 OK 78 78 - 100 HB3 LYS 86 + HB3 LYS 86 OK 62 62 - 100 Peak 1842 from aliabs.peaks (2.41, 1.95, 32.16 ppm; 3.16 A): 2 out of 14 assignments used, quality = 1.00: * HB3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 61 + HB2 PRO 58 OK 26 100 30 87 3.7-6.9 10935/3.0=24...(21) HG2 GLN 82 - HB3 PRO 81 poor 19 60 55 58 2.5-6.9 3.5/11248=22...(11) HG3 GLN 82 - HB3 PRO 81 poor 19 51 65 57 2.4-6.0 3.5/11248=22...(11) HG3 GLU 97 - HB2 LYS 95 far 0 83 0 - 5.8-8.8 HG3 GLU 97 - HB3 LYS 95 far 0 90 0 - 6.3-9.3 HG3 GLN 82 - HB3 LYS 86 far 0 37 0 - 6.5-10.1 HG2 GLN 82 - HB3 LYS 86 far 0 44 0 - 6.6-10.4 HG3 GLU 128 - HB2 LYS 95 far 0 77 0 - 7.0-10.8 HG3 GLU 128 - HB3 LYS 95 far 0 85 0 - 7.9-12.2 HG2 GLN 101 - HB3 LYS 95 far 0 76 0 - 8.2-10.4 HG2 GLN 104 - HB2 PRO 58 far 0 60 0 - 8.6-15.5 HG2 GLN 101 - HB2 LYS 95 far 0 69 0 - 8.6-11.0 HG3 GLU 40 - HB3 PRO 81 far 0 73 0 - 8.6-16.1 Violated in 0 structures by 0.00 A. Peak 1843 from aliabs.peaks (2.03, 1.95, 32.16 ppm; 4.74 A): 6 out of 32 assignments used, quality = 1.00: * HG2 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 81 + HB3 PRO 81 OK 64 64 100 100 2.3-3.0 2.3=100 HG3 PRO 81 + HB3 PRO 81 OK 58 58 100 100 2.3-2.7 2.3=100 HG2 ARG 90 + HB3 LYS 86 OK 41 64 65 97 3.5-8.2 1.8/2826=38, 2817=25...(22) HB2 PRO 81 + HB3 PRO 81 OK 39 39 100 100 1.8-1.8 1.8=100 HB3 GLU 91 + HB2 LYS 95 OK 23 84 35 78 5.4-7.4 11316/9948=38...(9) HG3 ARG 135 - HB3 PRO 81 far 12 83 15 - 5.6-9.9 HG2 PRO 81 - HB3 LYS 86 far 7 47 15 - 4.7-9.7 QE MET 11 - HB2 PRO 58 far 5 100 5 - 5.5-38.9 HB3 GLU 91 - HB3 LYS 95 far 5 92 5 - 5.5-8.8 HG3 PRO 81 - HB3 LYS 86 far 4 42 10 - 5.3-9.9 HB3 GLU 30 - HB2 PRO 58 far 0 90 0 - 6.4-27.0 HB2 PRO 81 - HB3 LYS 86 far 0 28 0 - 6.7-10.7 HB VAL 63 - HB2 PRO 58 far 0 100 0 - 6.9-8.8 HB3 PRO 56 - HB2 PRO 58 far 0 68 0 - 7.5-9.5 HB ILE 129 - HB2 LYS 95 far 0 57 0 - 7.6-10.1 HB2 GLN 134 - HB3 PRO 81 far 0 83 0 - 7.7-13.0 HB3 PRO 117 - HB3 LYS 95 far 0 72 0 - 7.7-12.9 HB VAL 20 - HB2 PRO 58 far 0 68 0 - 8.0-35.4 HG2 PRO 117 - HB3 LYS 95 far 0 61 0 - 8.2-14.1 HG2 ARG 90 - HB2 LYS 95 far 0 85 0 - 8.3-12.5 HB ILE 129 - HB3 LYS 95 far 0 63 0 - 8.6-11.2 HB3 MET 11 - HB2 PRO 58 far 0 93 0 - 9.0-47.0 HB3 GLU 91 - HB3 LYS 86 far 0 63 0 - 9.0-11.2 HG2 PRO 56 - HB2 PRO 58 far 0 85 0 - 9.1-10.7 HB3 PRO 117 - HB2 LYS 95 far 0 65 0 - 9.2-14.4 HG3 ARG 135 - HB3 LYS 86 far 0 63 0 - 9.2-12.8 HG3 PRO 117 - HB3 LYS 95 far 0 61 0 - 9.2-14.2 HB3 GLU 40 - HB3 PRO 81 far 0 83 0 - 9.2-18.1 HB2 GLN 127 - HB2 LYS 95 far 0 61 0 - 9.2-12.8 HG2 PRO 117 - HB2 LYS 95 far 0 54 0 - 9.7-15.7 HG2 ARG 90 - HB3 PRO 81 far 0 84 0 - 10.0-15.1 Violated in 0 structures by 0.00 A. Peak 1844 from aliabs.peaks (2.06, 1.95, 32.16 ppm; 3.83 A): 5 out of 28 assignments used, quality = 1.00: * HG3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 81 + HB3 PRO 81 OK 74 74 100 100 2.3-2.7 2.3=100 HB2 PRO 81 + HB3 PRO 81 OK 61 61 100 100 1.8-1.8 1.8=100 HB VAL 57 + HB2 PRO 58 OK 47 68 70 99 5.1-5.8 ~9309=35, ~9308=35...(28) HB3 GLN 82 + HB3 PRO 81 OK 39 51 95 80 4.0-6.7 3.0/11264=41...(14) HB3 LYS 39 - HB3 PRO 81 far 7 73 10 - 5.0-13.1 HG3 PRO 113 - HB2 PRO 58 far 5 99 5 - 4.1-14.8 HB2 LEU 62 - HB2 PRO 58 far 5 99 5 - 5.3-7.5 HG3 PRO 81 - HB3 LYS 86 far 3 56 5 - 5.3-9.9 HG3 GLU 91 - HB2 LYS 95 far 0 48 0 - 5.4-9.6 HB3 GLN 82 - HB3 LYS 86 far 0 37 0 - 5.7-8.8 HB2 GLU 128 - HB2 LYS 95 far 0 71 0 - 6.7-9.1 HB2 PRO 81 - HB3 LYS 86 far 0 45 0 - 6.7-10.7 HB VAL 118 - HB3 LYS 95 far 0 93 0 - 6.8-11.8 HG3 GLU 91 - HB3 LYS 95 far 0 54 0 - 6.9-10.3 HG3 GLN 134 - HB3 PRO 81 far 0 76 0 - 7.2-13.7 HB2 GLU 128 - HB3 LYS 95 far 0 78 0 - 7.2-10.1 HG3 GLU 91 - HB3 LYS 86 far 0 34 0 - 7.7-11.5 HG2 PRO 117 - HB3 LYS 95 far 0 86 0 - 8.2-14.1 HB VAL 118 - HB2 LYS 95 far 0 86 0 - 8.5-13.0 HB2 GLU 102 - HB3 LYS 95 far 0 76 0 - 8.9-12.5 HG3 PRO 117 - HB3 LYS 95 far 0 86 0 - 9.2-14.2 HB2 GLN 127 - HB2 LYS 95 far 0 74 0 - 9.2-12.8 HB3 GLN 27 - HB2 PRO 58 far 0 100 0 - 9.3-24.1 HB3 GLN 27 - HB3 LYS 95 far 0 93 0 - 9.5-29.1 HB3 GLN 27 - HB2 LYS 95 far 0 86 0 - 9.6-28.3 HG2 PRO 117 - HB2 LYS 95 far 0 78 0 - 9.7-15.7 HB3 LYS 39 - HB3 LYS 86 far 0 55 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 1845 from aliabs.peaks (3.62, 1.95, 32.16 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 58 + HB2 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 HA3 GLY 66 - HB3 LYS 95 far 0 82 0 - 9.8-13.1 HA2 GLY 66 - HB3 LYS 95 far 0 88 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 1846 from aliabs.peaks (3.82, 1.95, 32.16 ppm; 4.64 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 58 + HB2 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HA VAL 118 - HB3 LYS 95 far 4 83 5 - 4.6-10.0 HA VAL 118 - HB2 LYS 95 far 0 76 0 - 6.3-11.2 HA ARG 90 - HB3 LYS 86 far 0 46 0 - 6.6-8.1 HA LEU 62 - HB2 PRO 58 far 0 90 0 - 7.0-8.6 HA ARG 90 - HB2 LYS 95 far 0 63 0 - 8.0-9.7 HA ARG 90 - HB3 LYS 95 far 0 70 0 - 8.7-10.5 HA GLU 40 - HB3 PRO 81 far 0 78 0 - 9.0-16.3 Violated in 0 structures by 0.00 A. Peak 1848 from aliabs.peaks (4.45, 2.41, 32.16 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HB3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1849 from aliabs.peaks (1.95, 2.41, 32.16 ppm; 3.10 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 113 - HB3 PRO 58 far 0 89 0 - 5.9-14.8 HB2 GLU 30 - HB3 PRO 58 far 0 97 0 - 8.4-29.1 HB2 GLN 27 - HB3 PRO 58 far 0 90 0 - 9.1-25.4 Violated in 0 structures by 0.00 A. Peak 1850 from aliabs.peaks (2.41, 2.41, 32.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 58 + HB3 PRO 58 OK 100 100 - 100 Peak 1851 from aliabs.peaks (2.03, 2.41, 32.16 ppm; 3.38 A): 1 out of 9 assignments used, quality = 1.00: * HG2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 QE MET 11 - HB3 PRO 58 far 5 100 5 - 4.8-39.6 HB VAL 20 - HB3 PRO 58 far 0 68 0 - 6.7-36.6 HB3 GLU 30 - HB3 PRO 58 far 0 90 0 - 6.9-28.6 HB VAL 63 - HB3 PRO 58 far 0 100 0 - 7.1-9.4 HB3 PRO 56 - HB3 PRO 58 far 0 68 0 - 7.2-8.8 HB3 MET 11 - HB3 PRO 58 far 0 93 0 - 8.7-48.0 HG2 PRO 56 - HB3 PRO 58 far 0 85 0 - 8.8-10.2 HG3 PRO 56 - HB3 PRO 58 far 0 90 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 1852 from aliabs.peaks (2.06, 2.41, 32.16 ppm; 3.90 A): 2 out of 5 assignments used, quality = 1.00: * HG3 PRO 58 + HB3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 57 + HB3 PRO 58 OK 41 68 60 99 5.2-6.0 2.1/10929=50, ~9309=36...(26) HG3 PRO 113 - HB3 PRO 58 far 10 99 10 - 4.7-14.8 HB2 LEU 62 - HB3 PRO 58 far 0 99 0 - 6.1-8.1 HB3 GLN 27 - HB3 PRO 58 far 0 100 0 - 9.5-25.9 Violated in 0 structures by 0.00 A. Peak 1853 from aliabs.peaks (3.62, 2.41, 32.16 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 58 + HB3 PRO 58 OK 100 100 100 100 3.9-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1854 from aliabs.peaks (3.82, 2.41, 32.16 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 58 + HB3 PRO 58 OK 100 100 100 100 3.0-3.9 3.0=100 HA LEU 62 - HB3 PRO 58 far 0 90 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 1856 from aliabs.peaks (4.45, 2.03, 27.78 ppm; 4.98 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 58 + HG2 PRO 58 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 58 - HG2 PRO 56 far 0 29 0 - 8.1-9.0 HB THR 54 - HG3 PRO 56 far 0 33 0 - 8.5-10.6 HB THR 54 - HG2 PRO 56 far 0 27 0 - 8.8-10.3 HA PRO 58 - HG3 PRO 56 far 0 36 0 - 9.1-10.0 HA ASP 64 - HG2 PRO 58 far 0 100 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1857 from aliabs.peaks (1.95, 2.03, 27.78 ppm; 4.74 A): 3 out of 11 assignments used, quality = 1.00: * HB2 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 ARG 90 + HG2 ARG 90 OK 93 93 100 100 2.2-3.0 2.9=100 HB3 LYS 86 + HG2 ARG 90 OK 57 90 65 97 3.5-8.2 9823/9662=40...(22) HB2 GLU 30 - HG2 PRO 58 far 5 97 5 - 6.1-29.0 HG2 PRO 113 - HG3 PRO 56 far 3 28 10 - 5.1-16.6 HG2 PRO 113 - HG2 PRO 56 far 0 23 0 - 6.4-17.1 HG2 PRO 113 - HG2 PRO 58 far 0 89 0 - 7.8-17.0 HB2 LYS 95 - HG2 ARG 90 far 0 86 0 - 8.3-12.5 HB2 PRO 58 - HG2 PRO 56 far 0 29 0 - 9.1-10.7 HB2 GLU 30 - HG2 ARG 90 far 0 88 0 - 9.9-31.6 HB3 PRO 81 - HG2 ARG 90 far 0 93 0 - 10.0-15.1 Violated in 0 structures by 0.00 A. Peak 1858 from aliabs.peaks (2.41, 2.03, 27.78 ppm; 3.71 A): 2 out of 8 assignments used, quality = 1.00: * HB3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 GLN 61 + HG2 PRO 58 OK 46 100 50 93 3.5-6.6 10935/2.3=40, ~10934=29...(18) HB3 PRO 58 - HG2 PRO 56 far 0 29 0 - 8.8-10.2 HG3 GLU 97 - HG2 ARG 90 far 0 90 0 - 8.8-13.8 HG3 GLU 128 - HG2 ARG 90 far 0 85 0 - 9.2-14.9 HG3 GLN 61 - HG2 PRO 56 far 0 29 0 - 9.3-10.6 HG3 GLN 82 - HG2 ARG 90 far 0 58 0 - 9.5-15.4 HB3 PRO 58 - HG3 PRO 56 far 0 36 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 1859 from aliabs.peaks (2.03, 2.03, 27.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 PRO 58 + HG2 PRO 58 OK 100 100 - 100 HG2 ARG 90 + HG2 ARG 90 OK 92 92 - 100 HG3 PRO 56 + HG3 PRO 56 OK 29 29 - 100 HG2 PRO 56 + HG2 PRO 56 OK 21 21 - 100 Peak 1860 from aliabs.peaks (2.06, 2.03, 27.78 ppm; 2.75 A): 1 out of 13 assignments used, quality = 1.00: * HG3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 91 - HG2 ARG 90 far 5 54 10 - 3.9-7.9 HB VAL 57 - HG2 PRO 58 far 3 68 5 - 3.7-5.6 HG3 PRO 113 - HG3 PRO 56 far 2 35 5 - 3.4-17.6 HB3 GLU 55 - HG3 PRO 56 far 0 23 0 - 4.4-6.9 HG3 PRO 113 - HG2 PRO 56 far 0 28 0 - 4.8-18.0 HB2 LEU 62 - HG2 PRO 58 far 0 99 0 - 6.1-8.5 HG3 PRO 113 - HG2 PRO 58 far 0 99 0 - 6.2-16.9 HG3 PRO 58 - HG2 PRO 56 far 0 29 0 - 9.0-9.7 HG3 PRO 81 - HG2 ARG 90 far 0 83 0 - 9.2-14.1 HB2 LEU 62 - HG2 PRO 56 far 0 28 0 - 9.6-11.9 HB3 GLU 55 - HG2 PRO 58 far 0 78 0 - 9.7-11.4 HB2 GLU 128 - HG2 ARG 90 far 0 78 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1861 from aliabs.peaks (3.62, 2.03, 27.78 ppm; 5.71 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 58 - HG2 PRO 56 far 4 29 15 - 6.8-7.5 HD2 PRO 58 - HG3 PRO 56 far 0 36 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 1862 from aliabs.peaks (3.82, 2.03, 27.78 ppm; 3.96 A): 2 out of 8 assignments used, quality = 1.00: * HD3 PRO 58 + HG2 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 90 + HG2 ARG 90 OK 70 70 100 100 3.1-4.0 3.8=100 HD3 PRO 58 - HG2 PRO 56 far 0 29 0 - 6.3-7.2 HA LEU 62 - HG2 PRO 58 far 0 90 0 - 6.9-8.9 HD3 PRO 58 - HG3 PRO 56 far 0 36 0 - 7.5-8.6 HB3 SER 9 - HG2 PRO 58 far 0 83 0 - 8.8-50.3 HB2 SER 9 - HG2 PRO 58 far 0 99 0 - 9.6-51.8 HB2 SER 9 - HG2 PRO 56 far 0 28 0 - 9.9-55.4 Violated in 0 structures by 0.00 A. Peak 1864 from aliabs.peaks (4.45, 2.06, 27.78 ppm; 6.17 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 58 + HG3 PRO 58 OK 100 100 100 100 3.9-4.0 3.8=100 HA PRO 58 - HG3 PRO 113 lone 11 76 85 17 2.4-13.0 11566/2.3=8, 11508/2.3=4...(4) HA SER 106 - HG3 PRO 113 far 8 76 10 - 6.8-20.2 HB THR 54 - HB2 GLN 127 far 7 70 10 - 6.0-12.5 HB THR 54 - HG3 PRO 113 far 0 71 0 - 8.2-21.4 HA ASP 64 - HG3 PRO 58 far 0 100 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 1865 from aliabs.peaks (1.95, 2.06, 27.78 ppm; 4.77 A): 2 out of 10 assignments used, quality = 1.00: * HB2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 113 + HG3 PRO 113 OK 61 61 100 100 1.8-1.8 1.8=100 HG LEU 53 - HB2 GLN 127 poor 17 67 25 - 5.1-9.1 HB2 PRO 58 - HG3 PRO 113 far 11 76 15 - 4.1-14.8 HB2 GLU 30 - HG3 PRO 58 far 0 97 0 - 6.6-27.3 HG2 PRO 113 - HG3 PRO 58 far 0 89 0 - 7.6-16.6 HG LEU 53 - HG3 PRO 113 far 0 67 0 - 8.3-20.4 HG LEU 53 - HG3 PRO 58 far 0 95 0 - 9.1-14.2 HB2 LYS 95 - HB2 GLN 127 far 0 68 0 - 9.2-12.8 HB2 GLN 27 - HG3 PRO 58 far 0 90 0 - 9.5-24.0 Violated in 0 structures by 0.00 A. Peak 1866 from aliabs.peaks (2.41, 2.06, 27.78 ppm; 4.15 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 GLN 61 + HG3 PRO 58 OK 96 100 100 96 2.0-5.1 10935/2.3=52, ~10934=37...(21) HB3 PRO 58 - HG3 PRO 113 far 8 76 10 - 4.7-14.8 HG3 GLU 128 - HB2 GLN 127 far 7 67 10 - 4.6-7.3 HG3 GLN 61 - HG3 PRO 113 far 0 76 0 - 8.6-17.2 HG2 GLN 104 - HG3 PRO 58 far 0 60 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 1867 from aliabs.peaks (2.03, 2.06, 27.78 ppm; 2.74 A): 1 out of 19 assignments used, quality = 1.00: * HG2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 56 - HG3 PRO 113 far 3 63 5 - 3.4-17.6 HB3 PRO 56 - HG3 PRO 113 far 2 45 5 - 3.7-15.7 HG2 PRO 56 - HG3 PRO 113 far 0 58 0 - 4.8-18.0 QE MET 11 - HG3 PRO 58 far 0 100 0 - 5.3-37.2 HB3 GLU 30 - HG3 PRO 58 far 0 90 0 - 5.4-26.7 HB3 GLU 55 - HG3 PRO 113 far 0 65 0 - 5.5-19.4 HG2 PRO 58 - HG3 PRO 113 far 0 76 0 - 6.2-16.9 HB ILE 129 - HB2 GLN 127 far 0 48 0 - 6.3-7.0 HB VAL 63 - HG3 PRO 58 far 0 100 0 - 7.2-9.2 HG2 PRO 117 - HG3 PRO 113 far 0 47 0 - 7.4-15.2 HB VAL 63 - HG3 PRO 113 far 0 75 0 - 7.5-16.6 HB3 PRO 56 - HG3 PRO 58 far 0 68 0 - 7.9-8.9 HB3 MET 11 - HG3 PRO 58 far 0 93 0 - 8.0-45.1 QE MET 11 - HG3 PRO 113 far 0 76 0 - 8.2-44.5 HG3 PRO 117 - HG3 PRO 113 far 0 47 0 - 8.3-15.3 HB VAL 20 - HG3 PRO 58 far 0 68 0 - 8.5-33.8 HG2 PRO 56 - HG3 PRO 58 far 0 85 0 - 9.0-9.7 HB3 GLU 55 - HG3 PRO 58 far 0 92 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 1868 from aliabs.peaks (2.06, 2.06, 27.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 PRO 58 + HG3 PRO 58 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 74 74 - 100 HB2 GLN 127 + HB2 GLN 127 OK 64 64 - 100 Peak 1869 from aliabs.peaks (3.62, 2.06, 27.78 ppm; 4.71 A): 1 out of 5 assignments used, quality = 1.00: * HD2 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 PRO 56 - HG3 PRO 113 far 4 41 10 - 4.3-17.6 HD2 PRO 58 - HG3 PRO 113 far 0 76 0 - 6.3-16.7 HA2 GLY 66 - HB2 GLN 127 far 0 70 0 - 8.4-11.5 HA3 GLY 66 - HB2 GLN 127 far 0 64 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 1870 from aliabs.peaks (3.82, 2.06, 27.78 ppm; 4.58 A): 3 out of 7 assignments used, quality = 1.00: * HD3 PRO 58 + HG3 PRO 58 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 SER 50 + HB2 GLN 127 OK 70 74 100 94 2.2-6.0 11609/3.0=24...(21) HB2 SER 130 + HB2 GLN 127 OK 36 76 50 96 4.7-6.6 ~4181=54, ~4181=47...(14) HA LEU 62 - HG3 PRO 58 far 14 90 15 - 5.8-8.6 HD3 PRO 58 - HG3 PRO 113 far 4 76 5 - 5.5-16.4 HA LEU 62 - HG3 PRO 113 far 0 63 0 - 8.4-16.7 HB3 SER 9 - HG3 PRO 58 far 0 83 0 - 9.7-49.5 Violated in 0 structures by 0.00 A. Peak 1873 from aliabs.peaks (4.33, 4.33, 56.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ASN 59 + HA ASN 59 OK 100 100 - 100 HA LYS 24 + HA LYS 24 OK 90 90 - 100 HA ASP 47 + HA ASP 47 OK 60 60 - 100 Peak 1874 from aliabs.peaks (2.61, 4.33, 56.25 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 59 + HA ASN 59 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASP 71 - HA LYS 24 far 0 91 0 - 8.4-23.3 Violated in 0 structures by 0.00 A. Peak 1875 from aliabs.peaks (2.87, 4.33, 56.25 ppm; 4.27 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 59 + HA ASN 59 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ASN 116 - HA ASN 59 poor 18 73 25 - 4.1-14.7 HE2 LYS 95 - HA LYS 24 far 0 91 0 - 6.4-35.1 HB3 ASP 131 - HA ASP 47 far 0 53 0 - 7.1-10.7 HE3 LYS 95 - HA LYS 24 far 0 90 0 - 8.1-34.4 HB2 ASN 116 - HA LYS 24 far 0 61 0 - 9.3-33.6 Violated in 0 structures by 0.00 A. Peak 1880 from aliabs.peaks (2.06, 4.33, 56.25 ppm; 3.52 A): 1 out of 21 assignments used, quality = 0.98: * HB2 LEU 62 + HA ASN 59 OK 98 100 100 98 2.5-4.1 3.2/9388=48, 1.8/9360=35...(26) HG3 PRO 113 - HA ASN 59 far 5 100 5 - 3.6-12.6 HB2 GLN 127 - HA ASP 47 far 3 56 5 - 5.0-8.3 HG3 PRO 58 - HA ASN 59 far 0 99 0 - 5.3-6.7 HB3 GLN 27 - HA ASP 47 far 0 59 0 - 5.5-27.4 HB3 GLN 27 - HA LYS 24 far 0 90 0 - 6.0-12.9 HB VAL 118 - HA ASN 59 far 0 99 0 - 6.2-14.5 HB VAL 118 - HA LYS 24 far 0 88 0 - 6.7-31.9 HB3 GLU 44 - HA LYS 24 far 0 80 0 - 6.8-29.9 HB3 GLU 55 - HA LYS 24 far 0 78 0 - 7.0-31.7 HB3 GLU 44 - HA ASP 47 far 0 50 0 - 7.1-8.0 HB3 GLN 27 - HA ASN 59 far 0 99 0 - 7.3-22.1 HG3 GLN 134 - HA ASP 47 far 0 45 0 - 7.4-10.8 HG3 PRO 58 - HA LYS 24 far 0 90 0 - 7.4-28.3 HB2 GLU 102 - HA LYS 24 far 0 61 0 - 8.2-35.5 HG2 PRO 117 - HA LYS 24 far 0 90 0 - 8.8-36.7 HB3 LYS 39 - HA LYS 24 far 0 68 0 - 9.0-32.3 QE MET 11 - HA ASN 59 far 0 57 0 - 9.3-39.4 QE MET 11 - HA LYS 24 far 0 47 0 - 9.4-18.2 HG3 PRO 117 - HA ASN 59 far 0 99 0 - 9.5-19.9 HG2 PRO 117 - HA ASN 59 far 0 99 0 - 9.5-18.7 Violated in 8 structures by 0.11 A. Peak 1881 from aliabs.peaks (1.14, 4.33, 56.25 ppm; 5.94 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 62 + HA ASN 59 OK 100 100 100 100 1.8-3.1 1980=100, 1.8/1880=100...(27) QG2 THR 115 + HA ASN 59 OK 32 92 60 58 5.2-11.5 10195/11837=30...(3) QG2 THR 18 - HA LYS 24 poor 20 66 30 - 2.4-12.9 HG3 LYS 39 - HA LYS 24 far 4 74 5 - 7.0-33.4 HG12 ILE 32 - HA LYS 24 lone 0 85 25 2 4.5-15.8 QG2 THR 18 - HA ASN 59 far 0 78 0 - 7.7-33.1 QG2 VAL 132 - HA ASP 47 far 0 60 0 - 8.5-12.3 QG2 THR 18 - HA ASP 47 far 0 40 0 - 8.5-33.1 HG2 LYS 39 - HA LYS 24 far 0 88 0 - 8.8-32.5 QG1 VAL 132 - HA ASP 47 far 0 50 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 1883 from aliabs.peaks (4.33, 2.61, 38.13 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB2 ASN 59 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1884 from aliabs.peaks (2.61, 2.61, 38.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HB2 ASN 59 OK 100 100 - 100 Peak 1885 from aliabs.peaks (2.87, 2.61, 38.13 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 59 + HB2 ASN 59 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 116 - HB2 ASN 59 far 11 73 15 - 3.4-15.1 Violated in 0 structures by 0.00 A. Peak 1890 from aliabs.peaks (4.33, 2.87, 38.13 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB3 ASN 59 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1891 from aliabs.peaks (2.61, 2.87, 38.13 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HB3 ASN 59 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1892 from aliabs.peaks (2.87, 2.87, 38.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 59 + HB3 ASN 59 OK 100 100 - 100 Peak 1897 from aliabs.peaks (4.01, 4.01, 60.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 60 + HA SER 60 OK 100 100 - 100 HA ILE 37 + HA ILE 37 OK 65 65 - 100 Peak 1898 from aliabs.peaks (3.91, 4.01, 60.84 ppm; 3.81 A): 3 out of 13 assignments used, quality = 1.00: HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 41 + HA ILE 37 OK 20 69 30 96 4.3-7.5 2.1/10905=34, ~10819=33...(11) HA2 GLY 111 - HA SER 60 lone 0 76 35 1 2.1-19.2 HB2 SER 107 - HA SER 60 far 0 97 0 - 5.6-14.1 HA2 GLY 114 - HA SER 60 far 0 68 0 - 6.8-16.8 HD3 PRO 113 - HA SER 60 far 0 63 0 - 6.8-16.1 HB2 SER 33 - HA ILE 37 far 0 71 0 - 6.9-10.7 HA ALA 46 - HA ILE 37 far 0 58 0 - 7.0-13.2 HA3 GLY 75 - HA ILE 37 far 0 60 0 - 7.6-14.4 HA2 GLY 14 - HA SER 60 far 0 97 0 - 8.0-37.8 HA3 GLY 14 - HA SER 60 far 0 97 0 - 8.3-36.8 HA LEU 70 - HA ILE 37 far 0 39 0 - 8.5-13.8 Violated in 0 structures by 0.00 A. Peak 1899 from aliabs.peaks (3.91, 4.01, 60.84 ppm; 3.81 A): 3 out of 13 assignments used, quality = 1.00: * HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 41 + HA ILE 37 OK 20 69 30 96 4.3-7.5 2.1/10905=34, ~10819=33...(11) HA2 GLY 111 - HA SER 60 lone 0 76 35 1 2.1-19.2 HB2 SER 107 - HA SER 60 far 0 97 0 - 5.6-14.1 HA2 GLY 114 - HA SER 60 far 0 68 0 - 6.8-16.8 HD3 PRO 113 - HA SER 60 far 0 63 0 - 6.8-16.1 HB2 SER 33 - HA ILE 37 far 0 71 0 - 6.9-10.7 HA ALA 46 - HA ILE 37 far 0 58 0 - 7.0-13.2 HA3 GLY 75 - HA ILE 37 far 0 60 0 - 7.6-14.4 HA2 GLY 14 - HA SER 60 far 0 97 0 - 8.0-37.8 HA3 GLY 14 - HA SER 60 far 0 97 0 - 8.3-36.8 HA LEU 70 - HA ILE 37 far 0 39 0 - 8.5-13.8 Violated in 0 structures by 0.00 A. Peak 1902 from aliabs.peaks (2.02, 4.01, 60.84 ppm; 3.95 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 63 + HA SER 60 OK 100 100 100 100 3.1-4.0 2020=100, 2.1/10978=72...(13) HG2 PRO 58 - HA SER 60 far 5 100 5 - 5.3-7.0 HB3 GLU 30 - HA SER 60 far 5 97 5 - 4.7-23.4 HB VAL 20 - HA ILE 37 far 0 50 0 - 5.7-29.3 HB2 GLU 44 - HA ILE 37 far 0 71 0 - 6.0-9.2 HB3 GLU 40 - HA ILE 37 far 0 71 0 - 6.0-10.4 QE MET 11 - HA SER 60 far 0 99 0 - 8.0-38.0 HB ILE 129 - HA ILE 37 far 0 54 0 - 9.7-15.4 Violated in 1 structures by 0.00 A. Peak 1904 from aliabs.peaks (4.01, 3.91, 61.50 ppm; 4.44 A): 2 out of 5 assignments used, quality = 1.00: HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.2-3.0 3.0=100 * HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 20 - HB3 SER 60 far 0 85 0 - 7.5-31.6 HA VAL 20 - HB2 SER 60 far 0 85 0 - 7.7-32.3 HA LEU 119 - HB3 SER 60 far 0 90 0 - 10.0-16.8 Violated in 0 structures by 0.00 A. Peak 1905 from aliabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 * HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 1906 from aliabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB3 SER 60 - HB2 SER 60 Peak 1909 from aliabs.peaks (4.01, 3.91, 61.50 ppm; 4.44 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 20 - HB3 SER 60 far 0 85 0 - 7.5-31.6 HA VAL 20 - HB2 SER 60 far 0 85 0 - 7.7-32.3 HA LEU 119 - HB3 SER 60 far 0 90 0 - 10.0-16.8 Violated in 0 structures by 0.00 A. Peak 1910 from aliabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB2 SER 60 - HB3 SER 60 Peak 1911 from aliabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 1914 from aliabs.peaks (4.28, 4.28, 57.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 61 + HA GLN 61 OK 100 100 - 100 Peak 1915 from aliabs.peaks (2.10, 4.28, 57.75 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB VAL 57 - HA GLN 61 far 0 99 0 - 5.8-6.9 HB VAL 112 - HA GLN 61 far 0 87 0 - 9.0-21.1 Violated in 0 structures by 0.00 A. Peak 1916 from aliabs.peaks (2.10, 4.28, 57.75 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 57 - HA GLN 61 far 0 97 0 - 5.8-6.9 HB VAL 112 - HA GLN 61 far 0 92 0 - 9.0-21.1 Violated in 0 structures by 0.00 A. Peak 1917 from aliabs.peaks (2.28, 4.28, 57.75 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 100 100 3.0-4.2 3.8=100 HG3 GLU 30 - HA GLN 61 far 7 68 10 - 5.1-23.4 HG2 GLU 30 - HA GLN 61 far 5 97 5 - 5.3-21.8 HB3 PRO 113 - HA GLN 61 far 0 99 0 - 9.6-16.5 Violated in 2 structures by 0.02 A. Peak 1918 from aliabs.peaks (2.41, 4.28, 57.75 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.9-3.8 3.8=100 HB3 PRO 58 - HA GLN 61 far 0 100 0 - 6.1-8.4 HG2 GLN 104 - HA GLN 61 far 0 65 0 - 8.2-12.1 Violated in 0 structures by 0.00 A. Peak 1923 from aliabs.peaks (2.75, 4.28, 57.75 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 64 + HA GLN 61 OK 100 100 100 100 2.2-3.5 2047=100, 1.8/2053=90...(6) HB3 ASN 13 - HA GLN 61 far 0 89 0 - 7.8-35.0 Violated in 0 structures by 0.00 A. Peak 1924 from aliabs.peaks (2.80, 4.28, 57.75 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 64 + HA GLN 61 OK 100 100 100 100 2.7-4.5 2053=100, 1.8/2047=82...(7) HB2 ASN 13 - HA GLN 61 far 0 92 0 - 8.7-33.9 Violated in 1 structures by 0.01 A. Peak 1926 from aliabs.peaks (4.28, 2.10, 28.56 ppm; 4.11 A): 2 out of 37 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 108 - HB2 GLU 102 poor 14 72 20 - 4.6-15.8 HA THR 18 - HB3 GLN 61 far 5 100 5 - 5.0-33.4 HA ALA 12 - HB2 GLN 61 far 5 99 5 - 4.4-38.1 HA ALA 12 - HB3 GLN 61 far 5 99 5 - 3.6-39.0 HA ALA 21 - HB2 GLN 61 far 5 90 5 - 4.3-28.5 HA ALA 21 - HB3 GLN 61 far 4 89 5 - 5.5-29.4 HA THR 25 - HB3 GLN 61 far 0 96 0 - 5.7-26.2 HA THR 25 - HB2 GLN 61 far 0 97 0 - 5.7-26.3 HA THR 18 - HB2 GLN 61 far 0 100 0 - 5.9-32.6 HA ALA 21 - HB2 GLU 102 far 0 60 0 - 6.0-41.5 HA LYS 26 - HB3 GLN 61 far 0 96 0 - 6.1-26.8 HA LYS 19 - HB3 GLN 61 far 0 98 0 - 6.6-32.2 HA LYS 26 - HB2 GLN 61 far 0 97 0 - 6.6-26.9 HA LEU 22 - HB2 GLN 61 far 0 93 0 - 6.8-26.8 HA ALA 110 - HB3 GLN 61 far 0 99 0 - 7.0-23.1 HA LYS 31 - HB2 GLN 61 far 0 98 0 - 7.0-25.8 HA LYS 19 - HB2 GLN 61 far 0 99 0 - 7.0-30.9 HA LYS 31 - HB3 GLN 61 far 0 97 0 - 7.0-26.5 HA ALA 109 - HB3 GLN 61 far 0 100 0 - 7.0-21.7 HA ASP 131 - HB2 GLU 128 far 0 34 0 - 7.1-8.0 HA ALA 108 - HB3 GLN 61 far 0 100 0 - 7.3-21.3 HA LEU 22 - HB3 GLN 61 far 0 92 0 - 7.5-28.1 HA ALA 109 - HB2 GLU 102 far 0 72 0 - 7.9-15.8 HA ARG 23 - HB3 GLN 61 far 0 100 0 - 8.0-25.6 HA ALA 110 - HB2 GLN 61 far 0 100 0 - 8.2-24.2 HA LYS 26 - HB2 GLU 102 far 0 66 0 - 8.2-29.9 HA ALA 109 - HB2 GLN 61 far 0 100 0 - 8.3-22.0 HA ARG 23 - HB2 GLN 61 far 0 100 0 - 8.3-26.0 HA ALA 108 - HB2 GLN 61 far 0 100 0 - 8.5-21.4 HA ARG 23 - HB2 GLU 102 far 0 72 0 - 8.5-35.7 HA ALA 15 - HB2 GLU 102 far 0 72 0 - 8.6-48.6 HA PHE 87 - HB3 GLN 82 far 0 69 0 - 9.2-11.2 HA ALA 110 - HB2 GLU 102 far 0 71 0 - 9.4-19.8 HA LEU 22 - HB2 GLU 102 far 0 62 0 - 9.4-38.9 HA ALA 16 - HB3 GLN 61 far 0 100 0 - 9.6-34.8 Violated in 0 structures by 0.00 A. Peak 1927 from aliabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 70 70 - 100 HB2 GLU 102 + HB2 GLU 102 OK 60 60 - 100 HB2 GLU 128 + HB2 GLU 128 OK 55 55 - 100 Peak 1928 from aliabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 67 67 - 100 HB2 GLU 102 + HB2 GLU 102 OK 55 55 - 100 HB2 GLU 128 + HB2 GLU 128 OK 51 51 - 100 Reference assignment not found: HB3 GLN 61 - HB2 GLN 61 Peak 1929 from aliabs.peaks (2.28, 2.10, 28.56 ppm; 3.72 A): 2 out of 13 assignments used, quality = 1.00: * HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 105 - HB2 GLU 102 poor 18 61 30 - 4.5-9.8 HG3 GLU 30 - HB3 GLN 61 far 7 67 10 - 3.8-25.5 HG3 GLU 30 - HB2 GLN 61 far 3 68 5 - 4.2-25.0 HG2 GLU 30 - HB3 GLN 61 far 0 97 0 - 5.5-24.0 HB3 GLN 101 - HB2 GLU 102 far 0 55 0 - 5.5-7.1 HG2 GLU 30 - HB2 GLN 61 far 0 97 0 - 5.6-23.4 HB VAL 132 - HB2 GLU 128 far 0 69 0 - 6.2-8.5 HB VAL 132 - HB3 GLN 82 far 0 74 0 - 7.0-10.8 HB3 PRO 113 - HB3 GLN 61 far 0 98 0 - 8.1-15.0 HB3 PRO 113 - HB2 GLU 102 far 0 70 0 - 9.0-19.6 HB3 PRO 113 - HB2 GLN 61 far 0 99 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 1930 from aliabs.peaks (2.41, 2.10, 28.56 ppm; 3.79 A): 7 out of 11 assignments used, quality = 1.00: * HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 128 + HB2 GLU 128 OK 58 58 100 100 2.2-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 47 47 100 100 2.2-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 39 39 100 100 2.4-3.0 2.9=100 HB3 PRO 58 + HB3 GLN 61 OK 28 100 30 94 4.3-8.5 ~10935=20, ~10934=20...(31) HG2 GLN 101 + HB2 GLU 102 OK 23 53 55 80 3.1-6.2 7450/3.8=33, 4101/1.8=13...(17) HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 5.7-8.2 HG2 GLN 104 - HB2 GLU 102 far 0 40 0 - 7.0-10.2 HG3 GLU 97 - HB2 GLU 102 far 0 71 0 - 8.3-11.0 HG2 GLN 104 - HB3 GLN 61 far 0 64 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 1935 from aliabs.peaks (4.28, 2.10, 28.56 ppm; 4.10 A): 2 out of 36 assignments used, quality = 1.00: * HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.2-3.0 3.0=100 HA ALA 108 - HB2 GLU 102 poor 12 60 20 - 4.6-15.8 HA THR 18 - HB3 GLN 61 far 5 100 5 - 5.0-33.4 HA ALA 12 - HB3 GLN 61 far 5 99 5 - 3.6-39.0 HA ALA 12 - HB2 GLN 61 far 5 99 5 - 4.4-38.1 HA ALA 21 - HB3 GLN 61 far 5 90 5 - 5.5-29.4 HA ALA 21 - HB2 GLN 61 far 4 89 5 - 4.3-28.5 HA THR 25 - HB3 GLN 61 far 0 97 0 - 5.7-26.2 HA THR 25 - HB2 GLN 61 far 0 96 0 - 5.7-26.3 HA THR 18 - HB2 GLN 61 far 0 100 0 - 5.9-32.6 HA ALA 21 - HB2 GLU 102 far 0 49 0 - 6.0-41.5 HA LYS 26 - HB3 GLN 61 far 0 97 0 - 6.1-26.8 HA LYS 19 - HB3 GLN 61 far 0 99 0 - 6.6-32.2 HA LYS 26 - HB2 GLN 61 far 0 96 0 - 6.6-26.9 HA LEU 22 - HB2 GLN 61 far 0 92 0 - 6.8-26.8 HA ALA 110 - HB3 GLN 61 far 0 100 0 - 7.0-23.1 HA LYS 31 - HB2 GLN 61 far 0 97 0 - 7.0-25.8 HA LYS 19 - HB2 GLN 61 far 0 98 0 - 7.0-30.9 HA LYS 31 - HB3 GLN 61 far 0 98 0 - 7.0-26.5 HA ALA 109 - HB3 GLN 61 far 0 100 0 - 7.0-21.7 HA ALA 108 - HB3 GLN 61 far 0 100 0 - 7.3-21.3 HA LEU 22 - HB3 GLN 61 far 0 93 0 - 7.5-28.1 HA ALA 109 - HB2 GLU 102 far 0 60 0 - 7.9-15.8 HA ARG 23 - HB3 GLN 61 far 0 100 0 - 8.0-25.6 HA ALA 110 - HB2 GLN 61 far 0 99 0 - 8.2-24.2 HA LYS 26 - HB2 GLU 102 far 0 55 0 - 8.2-29.9 HA ALA 109 - HB2 GLN 61 far 0 100 0 - 8.3-22.0 HA ARG 23 - HB2 GLN 61 far 0 100 0 - 8.3-26.0 HA ALA 108 - HB2 GLN 61 far 0 100 0 - 8.5-21.4 HA ARG 23 - HB2 GLU 102 far 0 60 0 - 8.5-35.7 HA ALA 15 - HB2 GLU 102 far 0 61 0 - 8.6-48.6 HA PHE 87 - HB3 GLN 82 far 0 63 0 - 9.2-11.2 HA ALA 110 - HB2 GLU 102 far 0 59 0 - 9.4-19.8 HA LEU 22 - HB2 GLU 102 far 0 52 0 - 9.4-38.9 HA ALA 16 - HB3 GLN 61 far 0 100 0 - 9.6-34.8 Violated in 0 structures by 0.00 A. Peak 1936 from aliabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 64 64 - 100 HB2 GLU 102 + HB2 GLU 102 OK 49 49 - 100 Reference assignment not found: HB2 GLN 61 - HB3 GLN 61 Peak 1937 from aliabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 82 + HB3 GLN 82 OK 61 61 - 100 HB2 GLU 102 + HB2 GLU 102 OK 45 45 - 100 Peak 1938 from aliabs.peaks (2.28, 2.10, 28.56 ppm; 3.68 A): 2 out of 12 assignments used, quality = 1.00: * HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 105 - HB2 GLU 102 poor 15 50 30 - 4.5-9.8 HG3 GLU 30 - HB3 GLN 61 far 7 68 10 - 3.8-25.5 HG3 GLU 30 - HB2 GLN 61 far 3 67 5 - 4.2-25.0 HG2 GLU 30 - HB3 GLN 61 far 0 97 0 - 5.5-24.0 HB3 GLN 101 - HB2 GLU 102 far 0 45 0 - 5.5-7.1 HG2 GLU 30 - HB2 GLN 61 far 0 97 0 - 5.6-23.4 HB VAL 132 - HB3 GLN 82 far 0 67 0 - 7.0-10.8 HB3 PRO 113 - HB3 GLN 61 far 0 99 0 - 8.1-15.0 HB3 PRO 113 - HB2 GLU 102 far 0 58 0 - 9.0-19.6 HB3 PRO 113 - HB2 GLN 61 far 0 98 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 1939 from aliabs.peaks (2.41, 2.10, 28.56 ppm; 3.76 A): 5 out of 10 assignments used, quality = 1.00: * HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 42 42 100 100 2.2-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 35 35 100 100 2.4-3.0 2.9=100 HB3 PRO 58 + HB3 GLN 61 OK 28 100 30 93 4.3-8.5 ~10935=20, ~10934=19...(30) HG2 GLN 101 - HB2 GLU 102 poor 19 43 55 79 3.1-6.2 7450/3.8=33, 4101/1.8=13...(17) HB3 PRO 58 - HB2 GLN 61 far 0 100 0 - 5.7-8.2 HG2 GLN 104 - HB2 GLU 102 far 0 33 0 - 7.0-10.2 HG3 GLU 97 - HB2 GLU 102 far 0 59 0 - 8.3-11.0 HG2 GLN 104 - HB3 GLN 61 far 0 65 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 1944 from aliabs.peaks (4.28, 2.28, 33.67 ppm; 3.54 A): 1 out of 15 assignments used, quality = 0.97: * HA GLN 61 + HG2 GLN 61 OK 97 100 100 97 3.0-4.2 3.8=80, 1953/1.8=76...(6) HA THR 18 - HG2 GLN 61 far 5 100 5 - 5.0-34.6 HA ALA 109 - HG2 GLN 61 far 0 100 0 - 5.8-20.6 HA ALA 12 - HG2 GLN 61 far 0 99 0 - 6.3-39.1 HA ALA 21 - HG2 GLN 61 far 0 90 0 - 6.7-30.6 HA ALA 110 - HG2 GLN 61 far 0 100 0 - 7.0-23.1 HA THR 25 - HG2 GLN 61 far 0 97 0 - 7.7-24.7 HA LYS 19 - HG2 GLN 61 far 0 99 0 - 8.0-32.3 HA ALA 108 - HG2 GLN 61 far 0 100 0 - 8.4-20.3 HA ALA 16 - HG2 GLN 61 far 0 100 0 - 8.8-36.1 HA LYS 26 - HG2 GLN 61 far 0 97 0 - 8.9-25.7 HA ALA 15 - HG2 GLN 61 far 0 100 0 - 9.1-38.8 HA LYS 31 - HG2 GLN 61 far 0 98 0 - 9.2-25.1 HA ARG 23 - HG2 GLN 61 far 0 100 0 - 9.3-24.7 HA LEU 22 - HG2 GLN 61 far 0 93 0 - 9.5-27.2 Violated in 15 structures by 0.24 A. Peak 1945 from aliabs.peaks (2.10, 2.28, 33.67 ppm; 3.22 A): 3 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 57 + HG2 GLN 61 OK 91 99 95 98 2.4-4.8 2.1/10938=45...(23) HB VAL 112 - HG2 GLN 61 far 0 87 0 - 8.6-20.3 Violated in 0 structures by 0.00 A. Peak 1946 from aliabs.peaks (2.10, 2.28, 33.67 ppm; 3.22 A): 3 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 57 + HG2 GLN 61 OK 89 97 95 98 2.4-4.8 2.1/10938=45...(23) HB VAL 112 - HG2 GLN 61 far 0 92 0 - 8.6-20.3 Violated in 0 structures by 0.00 A. Peak 1947 from aliabs.peaks (2.28, 2.28, 33.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 61 + HG2 GLN 61 OK 100 100 - 100 Peak 1948 from aliabs.peaks (2.41, 2.28, 33.67 ppm; 2.60 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 58 - HG2 GLN 61 far 0 100 0 - 4.9-8.1 HG2 GLN 104 - HG2 GLN 61 far 0 65 0 - 9.3-15.0 Violated in 0 structures by 0.00 A. Peak 1953 from aliabs.peaks (4.28, 2.41, 33.67 ppm; 3.42 A): 1 out of 14 assignments used, quality = 0.94: * HA GLN 61 + HG3 GLN 61 OK 94 100 100 94 2.9-3.8 3.8=72, 1944/1.8=68...(5) HA ALA 110 - HG3 GLN 61 far 0 100 0 - 5.5-21.9 HA ALA 12 - HG3 GLN 61 far 0 99 0 - 5.8-40.1 HA ALA 21 - HG3 GLN 61 far 0 90 0 - 5.8-31.5 HA THR 18 - HG3 GLN 61 far 0 100 0 - 6.1-35.5 HA ALA 109 - HG3 GLN 61 far 0 100 0 - 6.4-19.6 HA THR 25 - HG3 GLN 61 far 0 97 0 - 7.7-24.6 HA LYS 26 - HG3 GLN 61 far 0 97 0 - 8.0-25.6 HA ALA 108 - HG3 GLN 61 far 0 100 0 - 8.0-19.4 HA LYS 19 - HG3 GLN 61 far 0 99 0 - 8.5-33.1 HA LEU 22 - HG3 GLN 61 far 0 93 0 - 9.1-27.8 HA LYS 31 - HG3 GLN 61 far 0 98 0 - 9.2-25.7 HA ALA 16 - HG3 GLN 61 far 0 100 0 - 9.4-37.0 HA ALA 15 - HG3 GLN 61 far 0 100 0 - 9.5-39.8 Violated in 19 structures by 0.23 A. Peak 1954 from aliabs.peaks (2.10, 2.41, 33.67 ppm; 3.28 A): 3 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 57 + HG3 GLN 61 OK 92 99 95 99 2.5-5.1 2.1/10936=50...(24) HB VAL 112 - HG3 GLN 61 far 0 87 0 - 7.7-18.7 Violated in 0 structures by 0.00 A. Peak 1955 from aliabs.peaks (2.10, 2.41, 33.67 ppm; 3.28 A): 3 out of 4 assignments used, quality = 1.00: * HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 57 + HG3 GLN 61 OK 91 97 95 99 2.5-5.1 2.1/10936=50...(24) HB VAL 112 - HG3 GLN 61 far 0 92 0 - 7.7-18.7 Violated in 0 structures by 0.00 A. Peak 1956 from aliabs.peaks (2.28, 2.41, 33.67 ppm; 2.53 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 30 - HG3 GLN 61 far 0 68 0 - 6.1-24.2 HG2 GLU 30 - HG3 GLN 61 far 0 97 0 - 7.9-22.7 HB3 PRO 113 - HG3 GLN 61 far 0 99 0 - 8.1-14.9 Violated in 0 structures by 0.00 A. Peak 1957 from aliabs.peaks (2.41, 2.41, 33.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HG3 GLN 61 OK 100 100 - 100 Peak 1962 from aliabs.peaks (3.83, 3.83, 57.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 62 + HA LEU 62 OK 100 100 - 100 HA LEU 123 + HA LEU 123 OK 48 48 - 100 Peak 1963 from aliabs.peaks (2.06, 3.83, 57.95 ppm; 4.84 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 PRO 58 + HA LEU 62 OK 47 99 55 86 5.8-8.6 6792/2.9=31, ~9333=24...(14) HB2 GLN 127 + HA LEU 123 OK 44 55 85 95 4.3-6.7 3966/4.9=52...(16) HB2 LEU 62 - HA LEU 123 far 0 59 0 - 6.4-11.5 HB VAL 118 - HA LEU 62 far 0 99 0 - 7.3-15.8 HB VAL 118 - HA LEU 123 far 0 56 0 - 7.3-10.4 HB2 GLU 128 - HA LEU 123 far 0 38 0 - 7.4-10.1 HB3 GLN 27 - HA LEU 62 far 0 99 0 - 7.8-22.4 HB3 GLU 55 - HA LEU 62 far 0 90 0 - 7.9-11.3 HG3 PRO 113 - HA LEU 62 far 0 100 0 - 8.4-16.7 Violated in 0 structures by 0.00 A. Peak 1964 from aliabs.peaks (1.14, 3.83, 57.95 ppm; 4.77 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LEU 62 - HA LEU 123 far 0 59 0 - 6.7-10.9 HG12 ILE 32 - HA LEU 62 far 0 97 0 - 7.2-18.3 QG2 THR 18 - HA LEU 62 far 0 78 0 - 7.4-29.7 QG2 THR 115 - HA LEU 62 far 0 92 0 - 8.7-14.3 QG2 VAL 132 - HA LEU 123 far 0 58 0 - 9.8-11.3 QG1 VAL 132 - HA LEU 123 far 0 49 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1965 from aliabs.peaks (1.64, 3.83, 57.95 ppm; 4.37 A): 2 out of 17 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 100 100 2.4-4.0 3.7=100 HB2 LEU 123 + HA LEU 123 OK 58 58 100 100 2.3-3.0 3.0=100 HB2 LEU 123 - HA LEU 62 far 10 100 10 - 4.8-9.7 HG LEU 62 - HA LEU 123 far 6 59 10 - 5.8-9.7 HG LEU 119 - HA LEU 62 far 4 76 5 - 5.4-13.0 HB2 LEU 69 - HA LEU 123 far 3 58 5 - 5.5-10.6 HG LEU 119 - HA LEU 123 far 0 38 0 - 7.1-9.7 HB2 LEU 69 - HA LEU 62 far 0 100 0 - 7.9-10.5 HD2 LYS 31 - HA LEU 62 far 0 97 0 - 8.2-24.2 HD3 LYS 31 - HA LEU 62 far 0 95 0 - 8.4-23.4 HD3 LYS 24 - HA LEU 62 far 0 99 0 - 8.5-26.7 HD2 LYS 26 - HA LEU 62 far 0 93 0 - 8.6-24.7 HD3 LYS 26 - HA LEU 62 far 0 89 0 - 9.0-24.2 HD2 LYS 24 - HA LEU 62 far 0 90 0 - 9.3-27.5 HG3 ARG 23 - HA LEU 62 far 0 71 0 - 9.4-28.4 HD2 LYS 36 - HA LEU 62 far 0 89 0 - 9.5-19.7 HD2 LYS 95 - HA LEU 123 far 0 55 0 - 9.8-14.8 Violated in 0 structures by 0.00 A. Peak 1966 from aliabs.peaks (0.68, 3.83, 57.95 ppm; 3.85 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 62 + HA LEU 62 OK 100 100 100 100 1.9-2.9 3.9=96, 6795/2.9=56...(23) QD2 LEU 62 + HA LEU 123 OK 45 59 80 96 3.2-6.6 10347/4.0=42, 1998=32...(24) QD2 LEU 100 + HA LEU 62 OK 33 100 40 83 4.5-9.2 1986/3.0=20, 2010/4.1=19...(14) QD2 LEU 100 - HA LEU 123 far 0 59 0 - 5.6-8.4 QD1 ILE 129 - HA LEU 123 far 0 33 0 - 6.1-7.0 Violated in 0 structures by 0.00 A. Peak 1967 from aliabs.peaks (0.91, 3.83, 57.95 ppm; 3.72 A): 5 out of 25 assignments used, quality = 1.00: * QD1 LEU 62 + HA LEU 62 OK 99 100 100 99 3.4-3.8 4.1=75, 2.1/1966=61...(21) QG2 VAL 63 + HA LEU 62 OK 63 100 65 97 4.9-5.5 11012/3.0=52...(21) QD1 LEU 123 + HA LEU 123 OK 52 52 100 100 2.6-3.8 4.0=78, 3954/3.0=45...(26) QD1 LEU 49 + HA LEU 123 OK 51 59 100 87 1.8-4.7 3934/3.0=23, 3950/3.9=19...(25) QD1 LEU 123 + HA LEU 62 OK 20 96 30 70 3.9-10.3 10347/3.9=40...(12) QG1 VAL 118 - HA LEU 123 poor 19 42 45 - 4.4-7.5 QG1 VAL 57 - HA LEU 62 poor 15 60 25 - 5.0-6.3 QD1 LEU 62 - HA LEU 123 poor 15 59 25 - 4.7-7.7 QD1 LEU 48 - HA LEU 62 far 10 100 10 - 4.1-11.4 QD2 LEU 48 - HA LEU 62 poor 10 87 25 46 3.5-10.1 10957/10993=23...(7) QD1 LEU 49 - HA LEU 62 far 5 100 5 - 4.8-7.3 QG2 VAL 20 - HA LEU 62 far 4 83 5 - 5.0-25.3 QG1 VAL 118 - HA LEU 62 far 0 83 0 - 5.3-12.1 QD1 LEU 119 - HA LEU 62 far 0 71 0 - 5.5-10.8 QG1 VAL 20 - HA LEU 62 far 0 100 0 - 5.8-27.7 QD1 LEU 48 - HA LEU 123 far 0 58 0 - 6.3-11.0 QD2 LEU 48 - HA LEU 123 far 0 45 0 - 6.6-10.1 QG2 VAL 63 - HA LEU 123 far 0 58 0 - 6.9-10.6 QD1 LEU 119 - HA LEU 123 far 0 35 0 - 6.9-8.7 QG2 ILE 37 - HA LEU 123 far 0 41 0 - 7.2-15.5 QG2 ILE 37 - HA LEU 62 far 0 81 0 - 7.8-17.6 QG1 VAL 57 - HA LEU 123 far 0 28 0 - 8.0-12.3 QG2 VAL 112 - HA LEU 62 far 0 97 0 - 8.5-15.8 QD1 LEU 22 - HA LEU 62 far 0 68 0 - 8.8-24.2 QG1 VAL 20 - HA LEU 123 far 0 58 0 - 9.3-30.4 Violated in 0 structures by 0.00 A. Peak 1970 from aliabs.peaks (4.06, 3.83, 57.95 ppm; 4.60 A): 2 out of 7 assignments used, quality = 0.99: * HB THR 65 + HA LEU 62 OK 99 100 100 99 2.6-4.7 2067=73, 2.1/10993=66...(14) HA LEU 122 + HA LEU 123 OK 33 35 100 95 4.7-4.9 4.9=85, 7760/3.6=22...(10) HA LEU 96 - HA LEU 123 poor 17 53 65 49 5.3-7.7 7742/2.9=15...(11) HB THR 65 - HA LEU 123 far 6 59 10 - 5.1-10.9 HA GLN 104 - HA LEU 62 far 0 73 0 - 8.1-12.9 HA LEU 122 - HA LEU 62 far 0 71 0 - 8.7-12.3 HA ALA 92 - HA LEU 123 far 0 54 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 1971 from aliabs.peaks (4.33, 2.06, 42.10 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB2 LEU 62 OK 100 100 100 100 2.5-4.1 1880=100, 9388/3.2=92...(27) Violated in 0 structures by 0.00 A. Peak 1973 from aliabs.peaks (3.83, 2.06, 42.10 ppm; 5.51 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.2-2.9 3.0=100 HD3 PRO 58 + HB2 LEU 62 OK 48 90 70 76 5.8-8.4 ~1983=22, 1.8/1820=22...(10) HA LEU 123 - HB2 LEU 62 far 9 90 10 - 6.4-11.5 HA VAL 118 - HB2 LEU 62 far 0 57 0 - 8.7-14.9 HD2 PRO 117 - HB2 LEU 62 far 0 81 0 - 9.4-18.0 Violated in 0 structures by 0.00 A. Peak 1974 from aliabs.peaks (2.06, 2.06, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + HB2 LEU 62 OK 100 100 - 100 Peak 1975 from aliabs.peaks (1.14, 2.06, 42.10 ppm; 4.81 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + HB2 LEU 62 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 115 - HB2 LEU 62 far 0 92 0 - 6.7-12.7 QG2 THR 18 - HB2 LEU 62 far 0 78 0 - 7.5-31.6 HG12 ILE 32 - HB2 LEU 62 far 0 97 0 - 9.1-19.6 Violated in 0 structures by 0.00 A. Peak 1976 from aliabs.peaks (1.64, 2.06, 42.10 ppm; 4.97 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 119 + HB2 LEU 62 OK 61 76 80 100 3.5-11.3 2.9/10951=46...(35) HB2 LEU 123 - HB2 LEU 62 poor 20 100 20 - 4.5-10.5 HD2 LYS 19 - HB2 LEU 62 far 0 100 0 - 9.5-37.1 HB2 LEU 69 - HB2 LEU 62 far 0 100 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 1977 from aliabs.peaks (0.68, 2.06, 42.10 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.4-3.2 3.1=100 QD2 LEU 100 + HB2 LEU 62 OK 62 100 65 95 4.3-9.7 1986/1.8=36, 2010/3.2=33...(17) Violated in 0 structures by 0.00 A. Peak 1978 from aliabs.peaks (0.91, 2.06, 42.10 ppm; 4.25 A): 5 out of 14 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 VAL 63 + HB2 LEU 62 OK 100 100 100 100 3.2-5.5 11012/1.8=84...(31) QG1 VAL 57 + HB2 LEU 62 OK 57 60 95 100 4.4-6.8 ~9319=44, ~9316=44...(24) QD1 LEU 119 + HB2 LEU 62 OK 49 71 70 99 3.9-9.6 2.1/9395=34...(42) QD1 LEU 123 + HB2 LEU 62 OK 28 96 30 98 3.7-11.3 10347/3.1=61, ~10348=25...(42) QG1 VAL 118 - HB2 LEU 62 far 8 83 10 - 5.0-11.4 QD1 LEU 49 - HB2 LEU 62 far 5 100 5 - 5.6-8.9 QD2 LEU 48 - HB2 LEU 62 far 4 87 5 - 5.3-11.5 QD1 LEU 48 - HB2 LEU 62 far 0 100 0 - 6.4-12.4 QG2 VAL 20 - HB2 LEU 62 far 0 83 0 - 6.8-27.2 QG2 VAL 112 - HB2 LEU 62 far 0 97 0 - 6.9-13.9 QG1 VAL 20 - HB2 LEU 62 far 0 100 0 - 7.7-29.5 QD1 LEU 22 - HB2 LEU 62 far 0 68 0 - 8.4-26.1 QG2 ILE 37 - HB2 LEU 62 far 0 81 0 - 9.9-19.5 Violated in 0 structures by 0.00 A. Peak 1980 from aliabs.peaks (4.33, 1.14, 42.10 ppm; 6.15 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB3 LEU 62 OK 100 100 100 100 1.8-3.1 1880/1.8=100...(27) Violated in 0 structures by 0.00 A. Peak 1982 from aliabs.peaks (3.83, 1.14, 42.10 ppm; 4.95 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 PRO 58 - HB3 LEU 62 far 0 90 0 - 6.6-9.0 HA LEU 123 - HB3 LEU 62 far 0 90 0 - 6.7-10.9 HA VAL 118 - HB3 LEU 62 far 0 57 0 - 8.0-15.5 HD2 PRO 117 - HB3 LEU 62 far 0 81 0 - 9.5-18.2 Violated in 0 structures by 0.00 A. Peak 1983 from aliabs.peaks (2.06, 1.14, 42.10 ppm; 4.63 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 58 + HB3 LEU 62 OK 45 99 65 70 5.1-7.3 6792/3.9=24...(10) HB VAL 118 - HB3 LEU 62 far 10 99 10 - 5.5-14.8 HG3 PRO 113 - HB3 LEU 62 far 5 100 5 - 5.8-13.9 HB3 GLN 27 - HB3 LEU 62 far 0 99 0 - 7.8-22.5 HB3 GLU 55 - HB3 LEU 62 far 0 90 0 - 8.5-12.0 HG2 PRO 117 - HB3 LEU 62 far 0 99 0 - 9.6-18.8 QE MET 11 - HB3 LEU 62 far 0 57 0 - 9.8-38.1 HG3 PRO 117 - HB3 LEU 62 far 0 99 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 1984 from aliabs.peaks (1.14, 1.14, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 62 + HB3 LEU 62 OK 100 100 - 100 Peak 1985 from aliabs.peaks (1.64, 1.14, 42.10 ppm; 4.92 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 119 + HB3 LEU 62 OK 61 76 80 100 3.5-11.2 ~10951=33, ~9395=32...(34) HB2 LEU 123 - HB3 LEU 62 far 15 100 15 - 5.0-10.1 HD3 LYS 26 - HB3 LEU 62 far 0 89 0 - 9.4-24.0 HD2 LYS 26 - HB3 LEU 62 far 0 93 0 - 9.5-24.4 HB2 LEU 69 - HB3 LEU 62 far 0 100 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 1986 from aliabs.peaks (0.68, 1.14, 42.10 ppm; 4.62 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.2-3.2 3.1=100 QD2 LEU 100 + HB3 LEU 62 OK 71 100 75 95 3.7-9.1 2010/3.2=32, 2000=28...(17) Violated in 0 structures by 0.00 A. Peak 1987 from aliabs.peaks (0.91, 1.14, 42.10 ppm; 4.27 A): 4 out of 14 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.0-2.6 3.2=100 QG2 VAL 63 + HB3 LEU 62 OK 100 100 100 100 2.7-4.2 11012=100, 2033/4.5=36...(26) QD1 LEU 119 + HB3 LEU 62 OK 42 71 60 99 4.4-9.6 ~9395=25, ~10951=24...(37) QG1 VAL 118 + HB3 LEU 62 OK 31 83 50 74 4.7-11.6 11722/11823=21, ~2007=14...(19) QG1 VAL 57 - HB3 LEU 62 poor 18 60 30 - 5.3-7.1 QD1 LEU 123 - HB3 LEU 62 far 14 96 15 - 4.9-11.1 QD2 LEU 48 - HB3 LEU 62 far 0 87 0 - 5.8-12.6 QD1 LEU 48 - HB3 LEU 62 far 0 100 0 - 6.3-13.7 QG2 VAL 112 - HB3 LEU 62 far 0 97 0 - 6.5-13.7 QD1 LEU 49 - HB3 LEU 62 far 0 100 0 - 6.7-8.5 QG2 VAL 20 - HB3 LEU 62 far 0 83 0 - 7.4-27.4 QG1 VAL 20 - HB3 LEU 62 far 0 100 0 - 8.3-29.8 QD1 LEU 22 - HB3 LEU 62 far 0 68 0 - 9.6-26.5 QG2 ILE 37 - HB3 LEU 62 far 0 81 0 - 9.8-18.8 Violated in 0 structures by 0.00 A. Peak 1990 from aliabs.peaks (3.83, 1.64, 26.16 ppm; 5.05 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 62 + HG LEU 62 OK 100 100 100 100 2.4-4.0 3.7=100 HA LEU 123 + HG LEU 62 OK 27 90 30 99 5.8-9.7 2.9/10956=62...(23) HA VAL 118 - HG LEU 62 far 0 57 0 - 6.6-13.0 HD3 PRO 58 - HG LEU 62 far 0 90 0 - 7.2-9.1 HD2 PRO 117 - HG LEU 62 far 0 81 0 - 7.5-15.8 HB2 SER 50 - HG LEU 62 far 0 97 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 1991 from aliabs.peaks (2.06, 1.64, 26.16 ppm; 4.86 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 62 + HG LEU 62 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 118 + HG LEU 62 OK 38 99 55 70 4.3-12.4 2007/2.1=33, 2.1/1995=11...(14) HB3 GLU 55 - HG LEU 62 far 0 90 0 - 6.4-11.1 HG3 PRO 58 - HG LEU 62 far 0 99 0 - 6.6-9.2 HG3 PRO 113 - HG LEU 62 far 0 100 0 - 6.7-14.8 HG2 PRO 117 - HG LEU 62 far 0 99 0 - 7.3-16.3 HG3 PRO 117 - HG LEU 62 far 0 99 0 - 8.6-17.6 HB3 GLN 27 - HG LEU 62 far 0 99 0 - 9.6-23.9 Violated in 0 structures by 0.00 A. Peak 1992 from aliabs.peaks (1.14, 1.64, 26.16 ppm; 6.07 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 62 + HG LEU 62 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 THR 115 - HG LEU 62 far 14 92 15 - 6.6-11.0 QG2 THR 18 - HG LEU 62 far 0 78 0 - 9.3-31.7 Violated in 0 structures by 0.00 A. Peak 1993 from aliabs.peaks (1.64, 1.64, 26.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 62 + HG LEU 62 OK 100 100 - 100 Peak 1994 from aliabs.peaks (0.68, 1.64, 26.16 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 100 + HG LEU 62 OK 38 100 45 84 4.2-9.7 2010/2.1=30, 1986/3.0=18...(16) Violated in 0 structures by 0.00 A. Peak 1995 from aliabs.peaks (0.91, 1.64, 26.16 ppm; 3.58 A): 5 out of 13 assignments used, quality = 1.00: * QD1 LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 + HG LEU 62 OK 51 71 75 96 3.7-7.7 2.1/10992=37, ~3795=14...(36) QG2 VAL 63 + HG LEU 62 OK 44 100 45 97 4.0-6.3 11012/3.0=48...(24) QG1 VAL 118 + HG LEU 62 OK 28 83 55 61 3.4-9.6 ~2007=13, ~2007=13...(16) QD1 LEU 123 + HG LEU 62 OK 28 96 30 96 3.0-9.5 10347/2.1=55...(33) QG1 VAL 57 - HG LEU 62 poor 15 60 25 - 4.6-7.1 QD2 LEU 48 - HG LEU 62 far 4 87 5 - 4.2-12.2 QD1 LEU 48 - HG LEU 62 far 0 100 0 - 5.3-13.1 QD1 LEU 49 - HG LEU 62 far 0 100 0 - 5.5-7.8 QG2 VAL 20 - HG LEU 62 far 0 83 0 - 6.6-27.6 QG1 VAL 20 - HG LEU 62 far 0 100 0 - 6.8-29.9 QG2 VAL 112 - HG LEU 62 far 0 97 0 - 8.5-13.8 QD1 LEU 22 - HG LEU 62 far 0 68 0 - 9.2-26.5 Violated in 0 structures by 0.00 A. Peak 1998 from aliabs.peaks (3.83, 0.68, 23.19 ppm; 3.42 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 62 + QD2 LEU 62 OK 99 100 100 99 1.9-2.9 1966=76, 2.9/6795=44...(23) HA LEU 123 + QD2 LEU 62 OK 53 90 65 90 3.2-6.6 4.0/10347=33...(23) HA LEU 62 - QD2 LEU 100 poor 16 83 25 76 4.5-9.2 3.0/1986=15, 4.1/2010=15...(14) HA VAL 118 - QD2 LEU 100 far 2 41 5 - 4.9-10.0 HA VAL 118 - QD2 LEU 62 far 0 57 0 - 5.2-10.5 HA LEU 123 - QD2 LEU 100 far 0 69 0 - 5.6-8.4 HB2 SER 50 - QD2 LEU 62 far 0 97 0 - 6.4-9.0 HD2 PRO 117 - QD2 LEU 62 far 0 81 0 - 7.6-13.5 HD3 PRO 58 - QD2 LEU 62 far 0 90 0 - 7.6-8.8 HD2 PRO 117 - QD2 LEU 100 far 0 60 0 - 7.7-12.9 HB2 SER 50 - QD2 LEU 100 far 0 76 0 - 8.6-13.2 HB2 SER 130 - QD2 LEU 62 far 0 90 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 1999 from aliabs.peaks (2.06, 0.68, 23.19 ppm; 3.60 A): 2 out of 22 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.4-3.2 3.1=100 HB VAL 118 + QD2 LEU 100 OK 56 79 75 94 3.5-9.4 10259/3.2=41...(17) HB VAL 118 - QD2 LEU 62 poor 13 99 25 55 3.6-10.3 2007/2.1=23...(10) HB2 LEU 62 - QD2 LEU 100 far 8 83 10 - 4.3-9.7 HB3 GLN 27 - QD2 LEU 100 far 8 81 10 - 3.2-17.7 HB2 GLU 102 - QD2 LEU 100 far 0 54 0 - 5.6-8.0 HB3 GLU 55 - QD2 LEU 62 far 0 90 0 - 6.3-9.5 HG3 PRO 58 - QD2 LEU 62 far 0 99 0 - 6.8-8.8 HG2 PRO 117 - QD2 LEU 62 far 0 99 0 - 6.8-13.7 HG3 PRO 113 - QD2 LEU 62 far 0 100 0 - 7.1-13.3 HG2 PRO 117 - QD2 LEU 100 far 0 81 0 - 7.2-13.1 HB2 GLN 127 - QD2 LEU 62 far 0 98 0 - 7.4-10.0 HG3 PRO 113 - QD2 LEU 100 far 0 83 0 - 7.4-16.2 HG3 PRO 117 - QD2 LEU 100 far 0 81 0 - 7.7-14.4 QE MET 11 - QD2 LEU 100 far 0 41 0 - 7.8-32.3 HB3 GLN 27 - QD2 LEU 62 far 0 99 0 - 8.0-19.0 HG3 PRO 117 - QD2 LEU 62 far 0 99 0 - 8.1-14.8 HG3 PRO 58 - QD2 LEU 100 far 0 81 0 - 9.0-13.2 HB2 GLU 102 - QD2 LEU 62 far 0 73 0 - 9.2-13.4 HB3 GLU 55 - QD2 LEU 100 far 0 69 0 - 9.4-16.8 HB2 GLN 127 - QD2 LEU 100 far 0 79 0 - 9.6-12.4 QE MET 11 - QD2 LEU 62 far 0 57 0 - 9.7-30.7 Violated in 0 structures by 0.00 A. Peak 2000 from aliabs.peaks (1.14, 0.68, 23.19 ppm; 3.76 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.2-3.2 3.1=100 HB3 LEU 62 + QD2 LEU 100 OK 40 83 55 87 3.7-9.1 1986=26, 3.2/2010=24...(16) QG2 THR 115 - QD2 LEU 100 far 0 71 0 - 6.9-11.1 QG2 THR 115 - QD2 LEU 62 far 0 92 0 - 7.2-10.3 HG12 ILE 32 - QD2 LEU 62 far 0 97 0 - 7.6-14.4 HG12 ILE 32 - QD2 LEU 100 far 0 76 0 - 8.0-14.5 QG2 THR 18 - QD2 LEU 62 far 0 78 0 - 8.1-25.8 Violated in 0 structures by 0.00 A. Peak 2001 from aliabs.peaks (1.64, 0.68, 23.19 ppm; 3.40 A): 3 out of 25 assignments used, quality = 1.00: * HG LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 123 + QD2 LEU 62 OK 68 100 75 91 1.8-5.9 3.2/10347=41...(28) HG LEU 119 + QD2 LEU 62 OK 53 76 75 93 3.7-8.4 2009/2.1=22, ~10992=18...(31) HG LEU 62 - QD2 LEU 100 far 12 83 15 - 4.2-9.7 HG LEU 119 - QD2 LEU 100 far 3 56 5 - 4.4-9.1 HB2 LEU 69 - QD2 LEU 100 far 0 82 0 - 5.5-8.2 HB2 LEU 69 - QD2 LEU 62 far 0 100 0 - 5.8-8.5 HB2 LEU 123 - QD2 LEU 100 far 0 82 0 - 5.9-9.7 HB2 LEU 98 - QD2 LEU 100 far 0 83 0 - 6.7-9.2 HD3 LYS 26 - QD2 LEU 100 far 0 68 0 - 7.9-20.3 HD3 LYS 95 - QD2 LEU 100 far 0 72 0 - 8.3-12.7 HD2 LYS 31 - QD2 LEU 62 far 0 97 0 - 8.3-19.9 HD2 LYS 31 - QD2 LEU 100 far 0 78 0 - 8.4-17.7 HD3 LYS 31 - QD2 LEU 100 far 0 74 0 - 8.4-17.8 HD3 LYS 31 - QD2 LEU 62 far 0 95 0 - 8.7-19.1 HD2 LYS 26 - QD2 LEU 100 far 0 72 0 - 8.8-19.1 HD3 LYS 24 - QD2 LEU 62 far 0 99 0 - 8.8-23.2 HD2 LYS 36 - QD2 LEU 62 far 0 89 0 - 8.9-16.3 HD2 LYS 26 - QD2 LEU 62 far 0 93 0 - 9.1-18.1 HG3 ARG 23 - QD2 LEU 100 far 0 52 0 - 9.2-26.0 HD2 LYS 95 - QD2 LEU 100 far 0 79 0 - 9.5-12.6 HD3 LYS 26 - QD2 LEU 62 far 0 89 0 - 9.6-17.8 HD3 LYS 36 - QD2 LEU 100 far 0 69 0 - 9.6-15.4 HD2 LYS 24 - QD2 LEU 62 far 0 90 0 - 9.6-23.8 HG3 ARG 23 - QD2 LEU 62 far 0 71 0 - 9.6-24.9 Violated in 0 structures by 0.00 A. Peak 2002 from aliabs.peaks (0.68, 0.68, 23.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + QD2 LEU 62 OK 100 100 - 100 QD2 LEU 100 + QD2 LEU 100 OK 83 83 - 100 Peak 2003 from aliabs.peaks (0.91, 0.68, 23.19 ppm; 2.68 A): 7 out of 27 assignments used, quality = 1.00: * QD1 LEU 62 + QD2 LEU 62 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 63 + QD2 LEU 100 OK 59 82 80 90 1.8-5.3 2.1/10974=28, ~10973=19...(31) QG2 VAL 63 + QD2 LEU 62 OK 44 100 55 81 3.2-4.7 11012/3.1=24...(22) QD1 LEU 123 + QD2 LEU 62 OK 39 96 50 82 2.0-7.0 10347=29, 2.1/10348=17...(28) QD1 LEU 62 + QD2 LEU 100 OK 37 83 65 68 2.4-7.8 2010=24, 2.1/1994=9...(17) QG1 VAL 118 + QD2 LEU 100 OK 35 62 80 71 1.8-6.8 10262/3.2=21, ~11494=13...(13) QG1 VAL 118 + QD2 LEU 62 OK 21 83 65 39 2.0-7.7 ~2007=7, ~2007=7...(10) QD1 LEU 49 - QD2 LEU 62 poor 18 100 30 60 3.2-5.1 3.2/10944=11, 10347=11...(16) QD2 LEU 48 - QD2 LEU 62 far 9 87 10 - 3.4-8.7 QD1 LEU 48 - QD2 LEU 62 far 5 100 5 - 3.6-9.8 QD1 LEU 119 - QD2 LEU 62 far 4 71 5 - 4.2-6.7 QG1 VAL 57 - QD2 LEU 62 far 0 60 0 - 4.9-6.5 QD1 LEU 119 - QD2 LEU 100 far 0 52 0 - 5.0-9.2 QD1 LEU 49 - QD2 LEU 100 far 0 83 0 - 5.1-8.6 QG2 VAL 20 - QD2 LEU 62 far 0 83 0 - 5.1-22.1 QG1 VAL 20 - QD2 LEU 62 far 0 100 0 - 5.2-24.1 QD1 LEU 123 - QD2 LEU 100 far 0 75 0 - 5.9-9.7 QD1 LEU 48 - QD2 LEU 100 far 0 82 0 - 6.3-14.2 QG2 ILE 37 - QD2 LEU 62 far 0 81 0 - 6.8-14.4 QD2 LEU 48 - QD2 LEU 100 far 0 66 0 - 6.9-12.6 QG2 VAL 112 - QD2 LEU 100 far 0 78 0 - 7.0-13.2 QG2 VAL 20 - QD2 LEU 100 far 0 62 0 - 7.3-23.1 QG2 ILE 37 - QD2 LEU 100 far 0 60 0 - 7.3-13.2 QG2 VAL 112 - QD2 LEU 62 far 0 97 0 - 7.5-12.2 QG1 VAL 20 - QD2 LEU 100 far 0 82 0 - 7.5-25.1 QG1 VAL 57 - QD2 LEU 100 far 0 43 0 - 8.1-12.0 QD1 LEU 22 - QD2 LEU 62 far 0 68 0 - 8.9-20.6 Violated in 0 structures by 0.00 A. Peak 2006 from aliabs.peaks (3.83, 0.91, 26.02 ppm; 4.29 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 62 + QD1 LEU 62 OK 100 100 100 100 3.4-3.8 4.1=100 HA LEU 123 + QD1 LEU 62 OK 28 90 35 89 4.7-7.7 ~10956=31, 1998/2.1=29...(16) HA VAL 118 - QD1 LEU 62 poor 18 57 40 79 4.4-11.3 4.9/10954=25...(20) HD3 PRO 58 - QD1 LEU 62 far 0 90 0 - 5.9-8.4 HD2 PRO 117 - QD1 LEU 62 far 0 81 0 - 6.7-13.6 HB2 SER 50 - QD1 LEU 62 far 0 97 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 2007 from aliabs.peaks (2.06, 0.91, 26.02 ppm; 3.66 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.2-3.2 3.2=100 HB VAL 118 + QD1 LEU 62 OK 53 99 80 67 2.6-10.5 3739=22, 1991/2.1=11...(17) HG3 PRO 113 - QD1 LEU 62 far 5 100 5 - 4.8-11.3 HG3 PRO 58 - QD1 LEU 62 far 0 99 0 - 5.6-7.7 HG2 PRO 117 - QD1 LEU 62 far 0 99 0 - 6.2-14.1 HB3 GLN 27 - QD1 LEU 62 far 0 99 0 - 6.2-18.0 HB3 GLU 55 - QD1 LEU 62 far 0 90 0 - 6.3-11.2 HG3 PRO 117 - QD1 LEU 62 far 0 99 0 - 6.3-15.2 HB2 GLU 102 - QD1 LEU 62 far 0 73 0 - 7.8-12.7 QE MET 11 - QD1 LEU 62 far 0 57 0 - 8.2-32.7 HB2 GLN 127 - QD1 LEU 62 far 0 98 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 2008 from aliabs.peaks (1.14, 0.91, 26.02 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.0-2.6 3.2=100 QG2 THR 115 - QD1 LEU 62 far 0 92 0 - 5.6-9.5 QG2 THR 18 - QD1 LEU 62 far 0 78 0 - 7.8-27.8 HG12 ILE 32 - QD1 LEU 62 far 0 97 0 - 9.2-15.3 Violated in 0 structures by 0.00 A. Peak 2009 from aliabs.peaks (1.64, 0.91, 26.02 ppm; 3.30 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 119 + QD1 LEU 62 OK 64 76 90 93 2.2-7.9 3.7/10954=19, ~10992=17...(34) HB2 LEU 123 + QD1 LEU 62 OK 31 100 35 89 2.5-7.4 2001/2.1=21, ~10347=21...(30) HB2 LEU 69 - QD1 LEU 62 far 0 100 0 - 7.2-10.3 HD3 LYS 26 - QD1 LEU 62 far 0 89 0 - 8.7-19.0 HD2 LYS 26 - QD1 LEU 62 far 0 93 0 - 8.8-19.3 HD2 LYS 19 - QD1 LEU 62 far 0 100 0 - 9.8-32.9 Violated in 0 structures by 0.00 A. Peak 2010 from aliabs.peaks (0.68, 0.91, 26.02 ppm; 3.11 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 100 + QD1 LEU 62 OK 57 100 75 76 2.4-7.8 1994/2.1=13, 1986/3.2=12...(19) QD1 ILE 129 - QD1 LEU 62 far 0 68 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 2011 from aliabs.peaks (0.91, 0.91, 26.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + QD1 LEU 62 OK 100 100 - 100 Peak 2014 from aliabs.peaks (3.36, 3.36, 66.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + HA VAL 63 OK 100 100 - 100 Peak 2015 from aliabs.peaks (2.02, 3.36, 66.55 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 63 + HA VAL 63 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 LEU 53 - HA VAL 63 far 0 63 0 - 6.9-13.3 HB3 GLU 30 - HA VAL 63 far 0 97 0 - 8.9-18.2 QE MET 11 - HA VAL 63 far 0 99 0 - 9.0-37.6 HG2 PRO 58 - HA VAL 63 far 0 100 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 2016 from aliabs.peaks (0.78, 3.36, 66.55 ppm; 3.29 A): 1 out of 10 assignments used, quality = 1.00: * QG1 VAL 63 + HA VAL 63 OK 100 100 100 100 2.4-2.8 3.2=100 QD2 LEU 122 - HA VAL 63 poor 18 100 40 45 2.5-6.7 11388/10958=11...(15) QD1 LEU 103 - HA VAL 63 far 10 100 10 - 2.9-7.0 QD2 LEU 119 - HA VAL 63 far 10 99 10 - 4.1-11.4 QD1 LEU 122 - HA VAL 63 poor 9 73 40 30 1.7-6.7 ~10972=5, 11492/10958=4...(12) QD1 LEU 53 - HA VAL 63 far 5 97 5 - 4.8-11.3 QD2 LEU 49 - HA VAL 63 far 0 92 0 - 5.1-7.8 QD1 ILE 32 - HA VAL 63 far 0 93 0 - 5.7-11.9 QD1 LEU 96 - HA VAL 63 far 0 98 0 - 6.3-9.3 QD1 ILE 37 - HA VAL 63 far 0 93 0 - 8.3-15.2 Violated in 0 structures by 0.00 A. Peak 2017 from aliabs.peaks (0.91, 3.36, 66.55 ppm; 3.30 A): 2 out of 14 assignments used, quality = 1.00: * QG2 VAL 63 + HA VAL 63 OK 100 100 100 100 2.0-2.5 3.2=100 QD1 LEU 62 + HA VAL 63 OK 71 100 75 95 2.0-5.3 2.1/9386=42, 6814/2.9=24...(30) QG1 VAL 118 - HA VAL 63 poor 18 89 20 - 3.9-10.1 QD2 LEU 123 - HA VAL 63 far 3 63 5 - 4.7-9.3 QD1 LEU 123 - HA VAL 63 far 0 92 0 - 6.5-11.6 QD1 LEU 119 - HA VAL 63 far 0 63 0 - 6.6-9.3 QD1 LEU 48 - HA VAL 63 far 0 100 0 - 6.9-14.5 QD1 LEU 49 - HA VAL 63 far 0 100 0 - 7.1-8.8 QD2 LEU 48 - HA VAL 63 far 0 92 0 - 7.1-12.8 QG2 VAL 112 - HA VAL 63 far 0 95 0 - 7.7-15.2 QG2 ILE 37 - HA VAL 63 far 0 73 0 - 8.0-15.9 QG2 VAL 20 - HA VAL 63 far 0 89 0 - 8.1-26.2 QG1 VAL 20 - HA VAL 63 far 0 100 0 - 9.2-28.7 QD2 LEU 98 - HA VAL 63 far 0 63 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2019 from aliabs.peaks (8.90, 3.36, 66.55 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 66 + HA VAL 63 OK 100 100 100 100 3.2-4.1 10045/11009=77, ~6835=70...(27) Violated in 0 structures by 0.00 A. Peak 2020 from aliabs.peaks (4.01, 2.02, 31.42 ppm; 3.88 A): 1 out of 11 assignments used, quality = 1.00: * HA SER 60 + HB VAL 63 OK 100 100 100 100 3.1-4.0 1902=95, 10978/2.1=69...(13) HB3 SER 99 - HB3 PRO 117 far 0 43 0 - 5.9-9.0 HA LEU 119 - HB VAL 63 far 0 90 0 - 6.6-12.2 HA LEU 103 - HB VAL 63 far 0 100 0 - 6.8-9.4 HA LEU 119 - HB3 PRO 117 far 0 39 0 - 7.4-8.2 HB3 SER 124 - HB3 PRO 117 far 0 49 0 - 7.9-10.3 HA LEU 122 - HB3 PRO 117 far 0 22 0 - 8.1-10.8 HA LEU 103 - HB3 PRO 117 far 0 48 0 - 8.2-13.4 HB2 SER 124 - HB3 PRO 117 far 0 35 0 - 8.6-11.0 HA LYS 95 - HB3 PRO 117 far 0 40 0 - 9.1-13.9 HA GLN 68 - HB VAL 63 far 0 99 0 - 9.4-10.6 Violated in 1 structures by 0.01 A. Peak 2022 from aliabs.peaks (3.36, 2.02, 31.42 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 63 + HB VAL 63 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 HIS 67 + HB VAL 63 OK 21 83 35 73 4.9-7.0 2028/2.1=35, ~9468=16...(9) Violated in 0 structures by 0.00 A. Peak 2023 from aliabs.peaks (2.02, 2.02, 31.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 63 + HB VAL 63 OK 100 100 - 100 HB3 PRO 117 + HB3 PRO 117 OK 40 40 - 100 Peak 2024 from aliabs.peaks (0.78, 2.02, 31.42 ppm; 3.17 A): 1 out of 15 assignments used, quality = 1.00: * QG1 VAL 63 + HB VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 103 - HB VAL 63 far 10 100 10 - 4.1-6.4 QD1 LEU 122 - HB VAL 63 far 4 73 5 - 4.3-9.3 QD2 LEU 119 - HB3 PRO 117 far 2 47 5 - 4.2-8.2 QD2 LEU 119 - HB VAL 63 far 0 99 0 - 4.7-12.5 QD2 LEU 122 - HB VAL 63 far 0 100 0 - 4.9-9.2 QD1 LEU 103 - HB3 PRO 117 far 0 49 0 - 5.3-12.1 QD1 ILE 32 - HB VAL 63 far 0 93 0 - 5.5-13.6 QD2 LEU 122 - HB3 PRO 117 far 0 48 0 - 6.5-10.2 QD1 LEU 122 - HB3 PRO 117 far 0 30 0 - 6.7-9.8 QD1 LEU 53 - HB VAL 63 far 0 97 0 - 6.9-13.1 QD2 LEU 49 - HB VAL 63 far 0 92 0 - 7.4-9.6 QD1 LEU 53 - HB3 PRO 117 far 0 44 0 - 8.0-13.1 QD1 LEU 96 - HB VAL 63 far 0 98 0 - 8.7-11.6 QD1 ILE 37 - HB VAL 63 far 0 93 0 - 9.1-16.5 Violated in 0 structures by 0.00 A. Peak 2025 from aliabs.peaks (0.91, 2.02, 31.42 ppm; 3.08 A): 2 out of 21 assignments used, quality = 1.00: * QG2 VAL 63 + HB VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 + HB VAL 63 OK 44 100 50 88 3.1-6.2 2031/2.1=20, 2017/3.0=18...(25) QD1 LEU 119 - HB3 PRO 117 far 2 24 10 - 3.9-7.5 QG1 VAL 118 - HB VAL 63 far 0 89 0 - 5.3-11.8 QG1 VAL 118 - HB3 PRO 117 far 0 38 0 - 5.7-6.7 QG2 VAL 112 - HB VAL 63 far 0 95 0 - 5.9-15.9 QD2 LEU 98 - HB3 PRO 117 far 0 24 0 - 6.8-12.7 QD1 LEU 119 - HB VAL 63 far 0 63 0 - 6.9-10.5 QD2 LEU 123 - HB VAL 63 far 0 63 0 - 7.0-11.6 QG2 VAL 112 - HB3 PRO 117 far 0 42 0 - 7.1-13.4 QD1 LEU 62 - HB3 PRO 117 far 0 49 0 - 7.2-14.2 QD2 LEU 123 - HB3 PRO 117 far 0 24 0 - 7.4-11.3 QD2 LEU 48 - HB VAL 63 far 0 92 0 - 7.9-13.8 QD1 LEU 123 - HB VAL 63 far 0 92 0 - 8.2-13.9 QD1 LEU 48 - HB VAL 63 far 0 100 0 - 8.3-15.5 QG2 VAL 20 - HB VAL 63 far 0 89 0 - 8.6-26.2 QD1 LEU 123 - HB3 PRO 117 far 0 40 0 - 8.7-11.3 QG2 VAL 63 - HB3 PRO 117 far 0 49 0 - 9.0-14.9 QD1 LEU 49 - HB VAL 63 far 0 100 0 - 9.1-10.6 QG2 ILE 37 - HB VAL 63 far 0 73 0 - 9.3-17.3 QD1 LEU 22 - HB VAL 63 far 0 76 0 - 9.4-25.9 Violated in 0 structures by 0.00 A. Peak 2028 from aliabs.peaks (3.36, 0.78, 21.57 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.4-2.8 3.2=91, 2034/2.1=63...(26) HB2 HIS 67 + QG1 VAL 63 OK 62 83 100 75 2.5-4.2 4.0/9406=31...(15) Violated in 0 structures by 0.00 A. Peak 2029 from aliabs.peaks (2.02, 0.78, 21.57 ppm; 2.91 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 63 + QG1 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 QE MET 11 - QG1 VAL 63 far 0 99 0 - 5.4-32.2 HB3 GLU 30 - QG1 VAL 63 far 0 97 0 - 6.0-15.3 HB3 LEU 53 - QG1 VAL 63 far 0 63 0 - 8.2-13.6 HG2 PRO 58 - QG1 VAL 63 far 0 100 0 - 8.4-10.1 HB3 MET 11 - QG1 VAL 63 far 0 98 0 - 9.8-38.1 Violated in 0 structures by 0.00 A. Peak 2030 from aliabs.peaks (0.78, 0.78, 21.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 63 + QG1 VAL 63 OK 100 100 - 100 Peak 2031 from aliabs.peaks (0.91, 0.78, 21.57 ppm; 2.61 A): 2 out of 15 assignments used, quality = 1.00: * QG2 VAL 63 + QG1 VAL 63 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 + QG1 VAL 63 OK 36 100 45 80 3.6-6.4 2025/2.1=14, 2017/3.2=12...(30) QG1 VAL 118 - QG1 VAL 63 far 0 89 0 - 4.5-9.3 QG2 VAL 112 - QG1 VAL 63 far 0 95 0 - 5.3-13.4 QD2 LEU 123 - QG1 VAL 63 far 0 63 0 - 5.8-9.8 QD1 LEU 119 - QG1 VAL 63 far 0 63 0 - 6.4-9.6 QG2 ILE 37 - QG1 VAL 63 far 0 73 0 - 7.2-13.5 QD1 LEU 48 - QG1 VAL 63 far 0 100 0 - 7.4-13.5 QD2 LEU 48 - QG1 VAL 63 far 0 92 0 - 7.4-12.0 QD1 LEU 123 - QG1 VAL 63 far 0 92 0 - 7.6-11.7 QD1 LEU 49 - QG1 VAL 63 far 0 100 0 - 7.7-9.3 QD1 LEU 22 - QG1 VAL 63 far 0 76 0 - 7.7-21.8 QG2 VAL 20 - QG1 VAL 63 far 0 89 0 - 8.0-22.1 QD2 LEU 98 - QG1 VAL 63 far 0 63 0 - 8.1-10.4 QG1 VAL 20 - QG1 VAL 63 far 0 100 0 - 9.3-24.2 Violated in 0 structures by 0.00 A. Peak 2034 from aliabs.peaks (3.36, 0.91, 22.96 ppm; 3.10 A): 1 out of 5 assignments used, quality = 0.99: * HA VAL 63 + QG2 VAL 63 OK 99 100 100 99 2.0-2.5 3.2=91, 2028/2.1=39...(21) HB2 HIS 67 - QG2 VAL 63 far 8 83 10 - 4.4-6.6 HA VAL 63 - QD1 LEU 49 far 0 58 0 - 7.1-8.8 HB3 TYR 72 - QD1 LEU 49 far 0 39 0 - 7.3-11.1 HB2 HIS 67 - QD1 LEU 49 far 0 42 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 2035 from aliabs.peaks (2.02, 0.91, 22.96 ppm; 3.00 A): 1 out of 14 assignments used, quality = 1.00: * HB VAL 63 + QG2 VAL 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 127 - QD1 LEU 49 poor 16 31 50 - 3.3-5.2 HB3 LEU 53 - QD1 LEU 49 poor 14 30 70 69 2.4-5.6 4.0/11726=10...(28) HB ILE 129 - QD1 LEU 49 far 0 43 0 - 5.5-7.9 QE MET 11 - QG2 VAL 63 far 0 99 0 - 6.2-33.0 HB3 LEU 53 - QG2 VAL 63 far 0 63 0 - 6.9-12.5 HG2 PRO 58 - QG2 VAL 63 far 0 100 0 - 7.1-9.3 HB3 GLU 55 - QD1 LEU 49 far 0 42 0 - 7.4-11.0 HB3 GLU 30 - QG2 VAL 63 far 0 97 0 - 7.6-16.5 HB VAL 20 - QD1 LEU 49 far 0 40 0 - 8.3-25.8 HB2 GLU 44 - QD1 LEU 49 far 0 58 0 - 8.4-10.1 HB3 PRO 117 - QG2 VAL 63 far 0 92 0 - 9.0-14.9 HB VAL 63 - QD1 LEU 49 far 0 58 0 - 9.1-10.6 HB3 GLU 30 - QD1 LEU 49 far 0 53 0 - 9.9-19.5 Violated in 0 structures by 0.00 A. Peak 2036 from aliabs.peaks (0.78, 0.91, 22.96 ppm; 2.50 A): 4 out of 20 assignments used, quality = 1.00: * QG1 VAL 63 + QG2 VAL 63 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 103 + QG2 VAL 63 OK 85 100 95 89 1.7-4.1 2.1/11822=21...(39) QD2 LEU 49 + QD1 LEU 49 OK 49 49 100 100 1.9-2.1 2.1=100 QD1 LEU 53 + QD1 LEU 49 OK 22 53 80 52 1.7-4.5 1674/3.2=8, 4.3/11726=6...(20) QD2 LEU 122 - QG2 VAL 63 poor 20 100 20 - 3.0-6.9 QD1 LEU 122 - QG2 VAL 63 poor 15 73 20 - 3.0-6.9 QD2 LEU 122 - QD1 LEU 49 poor 14 58 25 - 3.0-6.5 QD1 LEU 122 - QD1 LEU 49 poor 13 36 35 - 2.8-5.5 QD2 LEU 119 - QG2 VAL 63 poor 5 99 25 21 2.9-8.7 10940/11012=4...(7) QD2 LEU 119 - QD1 LEU 49 far 0 56 0 - 5.0-10.6 QD1 LEU 96 - QD1 LEU 49 far 0 55 0 - 5.2-7.7 QD1 ILE 32 - QG2 VAL 63 far 0 93 0 - 5.3-11.3 QD1 LEU 53 - QG2 VAL 63 far 0 97 0 - 5.6-10.4 QD1 ILE 32 - QD1 LEU 49 far 0 50 0 - 5.9-11.2 QD2 LEU 49 - QG2 VAL 63 far 0 92 0 - 6.1-8.3 QD1 ILE 37 - QD1 LEU 49 far 0 50 0 - 6.3-11.8 QD1 LEU 96 - QG2 VAL 63 far 0 98 0 - 6.4-9.3 QG1 VAL 63 - QD1 LEU 49 far 0 58 0 - 7.7-9.3 QD1 LEU 103 - QD1 LEU 49 far 0 58 0 - 8.5-11.4 QD1 ILE 37 - QG2 VAL 63 far 0 93 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 2037 from aliabs.peaks (0.91, 0.91, 22.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 63 + QG2 VAL 63 OK 100 100 - 100 QD1 LEU 49 + QD1 LEU 49 OK 58 58 - 100 Peak 2040 from aliabs.peaks (4.45, 4.45, 57.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 64 + HA ASP 64 OK 100 100 - 100 Peak 2041 from aliabs.peaks (2.75, 4.45, 57.70 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 64 + HA ASP 64 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2042 from aliabs.peaks (2.80, 4.45, 57.70 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 64 + HA ASP 64 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 ASP 71 - HA ASP 64 far 0 100 0 - 8.2-10.9 Violated in 0 structures by 0.00 A. Peak 2045 from aliabs.peaks (3.34, 4.45, 57.70 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 67 + HA ASP 64 OK 100 100 100 100 2.9-5.1 2102=87, 1.8/2046=76...(9) HA VAL 63 + HA ASP 64 OK 83 83 100 100 4.8-4.9 3.2/10980=58, 4.9=57...(27) Violated in 2 structures by 0.02 A. Peak 2046 from aliabs.peaks (3.41, 4.45, 57.70 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.99: * HB3 HIS 67 + HA ASP 64 OK 99 100 100 99 2.6-4.5 2110=80, 1.8/2102=71...(9) Violated in 8 structures by 0.09 A. Peak 2047 from aliabs.peaks (4.28, 2.75, 40.01 ppm; 4.08 A): 1 out of 12 assignments used, quality = 0.99: * HA GLN 61 + HB2 ASP 64 OK 99 100 100 99 2.2-3.5 1923=84, 2053/1.8=84...(6) HA THR 25 - HB2 ASP 64 far 5 97 5 - 3.3-23.3 HA LYS 26 - HB2 ASP 64 far 5 97 5 - 4.9-23.3 HA LYS 31 - HB2 ASP 64 far 0 98 0 - 5.8-21.6 HA ALA 108 - HB2 ASP 64 far 0 100 0 - 6.0-20.2 HA LEU 22 - HB2 ASP 64 far 0 93 0 - 6.9-25.1 HA ALA 21 - HB2 ASP 64 far 0 90 0 - 7.1-28.3 HA ALA 109 - HB2 ASP 64 far 0 100 0 - 7.8-20.6 HA ALA 16 - HB2 ASP 64 far 0 100 0 - 8.1-33.2 HA ALA 12 - HB2 ASP 64 far 0 99 0 - 8.2-37.4 HA ALA 110 - HB2 ASP 64 far 0 100 0 - 8.4-22.7 HA ARG 23 - HB2 ASP 64 far 0 100 0 - 8.9-22.8 Violated in 0 structures by 0.00 A. Peak 2049 from aliabs.peaks (4.45, 2.75, 40.01 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + HB2 ASP 64 OK 100 100 100 100 2.9-3.0 3.0=100 HA PRO 58 - HB2 ASP 64 far 0 100 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 2050 from aliabs.peaks (2.75, 2.75, 40.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 64 + HB2 ASP 64 OK 100 100 - 100 Peak 2051 from aliabs.peaks (2.80, 2.75, 40.01 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 64 + HB2 ASP 64 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2053 from aliabs.peaks (4.28, 2.80, 40.01 ppm; 3.75 A): 1 out of 13 assignments used, quality = 0.97: * HA GLN 61 + HB3 ASP 64 OK 97 100 100 97 2.7-4.5 1924=73, 2047/1.8=65...(7) HA ALA 108 - HB3 ASP 64 far 5 100 5 - 4.7-20.3 HA LYS 31 - HB3 ASP 64 far 5 98 5 - 5.2-20.7 HA THR 25 - HB3 ASP 64 far 5 97 5 - 3.8-23.4 HA LYS 26 - HB3 ASP 64 far 5 97 5 - 3.9-23.2 HA LEU 22 - HB3 ASP 64 far 0 93 0 - 5.4-25.0 HA ALA 109 - HB3 ASP 64 far 0 100 0 - 6.2-21.9 HA ALA 21 - HB3 ASP 64 far 0 90 0 - 6.2-26.8 HA ALA 110 - HB3 ASP 64 far 0 100 0 - 6.7-23.8 HA ALA 16 - HB3 ASP 64 far 0 100 0 - 7.5-31.5 HA ARG 23 - HB3 ASP 64 far 0 100 0 - 8.1-23.1 HA ALA 12 - HB3 ASP 64 far 0 99 0 - 8.4-36.0 HA THR 18 - HB3 ASP 64 far 0 100 0 - 9.2-31.2 Violated in 9 structures by 0.08 A. Peak 2055 from aliabs.peaks (4.45, 2.80, 40.01 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 64 + HB3 ASP 64 OK 100 100 100 100 2.4-2.7 3.0=100 HA PRO 58 - HB3 ASP 64 far 0 100 0 - 9.7-11.9 HA SER 106 - HB3 ASP 64 far 0 99 0 - 9.7-17.8 Violated in 0 structures by 0.00 A. Peak 2056 from aliabs.peaks (2.75, 2.80, 40.01 ppm; 2.72 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 64 + HB3 ASP 64 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 13 - HB3 ASP 64 far 0 89 0 - 9.2-33.4 Violated in 0 structures by 0.00 A. Peak 2057 from aliabs.peaks (2.80, 2.80, 40.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 64 + HB3 ASP 64 OK 100 100 - 100 Peak 2060 from aliabs.peaks (3.97, 3.97, 66.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 65 + HA THR 65 OK 100 100 - 100 Peak 2061 from aliabs.peaks (4.06, 3.97, 66.33 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 65 + HA THR 65 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 104 - HA THR 65 far 0 73 0 - 9.0-14.8 HA LEU 122 - HA THR 65 far 0 71 0 - 9.3-14.0 HA GLU 44 - HA THR 65 far 0 76 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 2062 from aliabs.peaks (1.23, 3.97, 66.33 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + HA THR 65 OK 100 100 100 100 2.1-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 2065 from aliabs.peaks (2.22, 3.97, 66.33 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 68 + HA THR 65 OK 99 100 100 99 2.7-4.3 1.8/2140=58...(20) HG2 GLN 68 + HA THR 65 OK 94 100 95 99 2.3-5.8 1.8/11023=55...(20) HB3 GLN 104 - HA THR 65 far 0 100 0 - 8.1-13.3 HB2 GLN 104 - HA THR 65 far 0 57 0 - 8.4-12.8 HB3 LEU 96 - HA THR 65 far 0 73 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 2066 from aliabs.peaks (2.18, 3.97, 66.33 ppm; 4.73 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 68 + HA THR 65 OK 100 100 100 100 4.1-5.3 2140=93, 3.0/11023=62...(20) HB3 LEU 69 + HA THR 65 OK 71 76 95 99 4.2-7.0 9443/2074=84, ~11055=35...(17) HB2 GLN 104 - HA THR 65 far 0 99 0 - 8.4-12.8 Violated in 1 structures by 0.02 A. Peak 2067 from aliabs.peaks (3.83, 4.06, 67.71 ppm; 5.10 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 62 + HB THR 65 OK 100 100 100 100 2.6-4.7 1970=100, 10997/2.1=79...(16) HA LEU 123 - HB THR 65 far 9 90 10 - 5.1-10.9 HB2 SER 50 - HB THR 65 far 0 97 0 - 7.7-11.8 HB2 SER 130 - HB THR 65 far 0 90 0 - 9.5-13.0 HD3 PRO 58 - HB THR 65 far 0 90 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2069 from aliabs.peaks (3.97, 4.06, 67.71 ppm; 4.74 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 65 + HB THR 65 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 50 - HB THR 65 far 0 68 0 - 6.7-10.7 HA VAL 20 - HB THR 65 far 0 83 0 - 7.5-27.5 HB3 SER 51 - HB THR 65 far 0 97 0 - 8.0-11.9 HB2 SER 51 - HB THR 65 far 0 63 0 - 8.2-12.2 HA GLN 127 - HB THR 65 far 0 100 0 - 8.5-12.4 HA LEU 100 - HB THR 65 far 0 99 0 - 8.7-12.6 HB3 SER 107 - HB THR 65 far 0 97 0 - 8.7-16.0 HA2 GLY 17 - HB THR 65 far 0 85 0 - 8.7-33.3 HA3 GLY 17 - HB THR 65 far 0 95 0 - 9.8-31.7 Violated in 0 structures by 0.00 A. Peak 2070 from aliabs.peaks (4.06, 4.06, 67.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 65 + HB THR 65 OK 100 100 - 100 Peak 2071 from aliabs.peaks (1.23, 4.06, 67.71 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 65 + HB THR 65 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 54 - HB THR 65 far 0 92 0 - 8.4-12.9 Violated in 0 structures by 0.00 A. Peak 2074 from aliabs.peaks (3.97, 1.23, 22.77 ppm; 3.13 A): 1 out of 14 assignments used, quality = 0.99: * HA THR 65 + QG2 THR 65 OK 99 100 100 99 2.1-3.2 3.2=96, ~6842=21...(16) HA VAL 20 - QG2 THR 65 far 0 83 0 - 5.0-21.7 HA SER 50 - QG2 THR 65 far 0 68 0 - 5.6-7.2 HB3 SER 51 - QG2 THR 65 far 0 97 0 - 5.8-9.0 HB2 SER 51 - QG2 THR 65 far 0 63 0 - 6.0-9.5 HA GLN 127 - QG2 THR 65 far 0 100 0 - 6.4-9.2 HA2 GLY 17 - QG2 THR 65 far 0 85 0 - 6.8-25.8 HA LEU 100 - QG2 THR 65 far 0 99 0 - 7.2-10.7 HA3 GLY 17 - QG2 THR 65 far 0 95 0 - 8.1-25.1 HB3 SER 107 - QG2 THR 65 far 0 97 0 - 8.3-13.1 HB3 SER 99 - QG2 THR 65 far 0 65 0 - 8.7-12.4 HB2 SER 124 - QG2 THR 65 far 0 85 0 - 8.8-13.5 HB2 SER 106 - QG2 THR 65 far 0 100 0 - 9.1-17.0 HB3 SER 106 - QG2 THR 65 far 0 98 0 - 9.8-17.4 Violated in 9 structures by 0.03 A. Peak 2075 from aliabs.peaks (4.06, 1.23, 22.77 ppm; 3.03 A): 1 out of 5 assignments used, quality = 1.00: * HB THR 65 + QG2 THR 65 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 122 - QG2 THR 65 far 0 71 0 - 6.4-11.5 HA GLU 44 - QG2 THR 65 far 0 76 0 - 7.2-9.6 HA GLN 104 - QG2 THR 65 far 0 73 0 - 7.8-13.0 HA LEU 96 - QG2 THR 65 far 0 97 0 - 8.3-11.7 Violated in 0 structures by 0.00 A. Peak 2076 from aliabs.peaks (1.23, 1.23, 22.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + QG2 THR 65 OK 100 100 - 100 Peak 2079 from aliabs.peaks (3.63, 3.63, 47.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + HA2 GLY 66 OK 100 100 - 100 HA3 GLY 66 + HA3 GLY 66 OK 98 98 - 100 Peak 2080 from aliabs.peaks (3.63, 3.63, 47.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA2 GLY 66 + HA2 GLY 66 OK 100 100 - 100 HA3 GLY 66 + HA3 GLY 66 OK 99 99 - 100 Reference assignment not found: HA3 GLY 66 - HA2 GLY 66 Peak 2083 from aliabs.peaks (1.65, 3.63, 47.54 ppm; 6.80 A): 6 out of 17 assignments used, quality = 1.00: * HB2 LEU 69 + HA2 GLY 66 OK 100 100 100 100 2.7-5.5 3.2/11058=63...(29) HG LEU 62 + HA2 GLY 66 OK 99 100 100 100 5.8-8.0 ~9384=58, ~10999=51...(19) HB2 LEU 69 + HA3 GLY 66 OK 99 99 100 100 2.6-7.1 ~11058=56, 2179=50...(28) HG LEU 62 + HA3 GLY 66 OK 98 98 100 100 5.1-7.5 3.0/10999=62, ~9384=58...(20) HB2 LEU 123 + HA3 GLY 66 OK 59 99 90 66 4.6-9.0 ~10351=19, ~9433=13...(13) HB2 LEU 123 + HA2 GLY 66 OK 58 100 90 65 5.4-9.6 ~10351=19, ~9433=13...(12) HD2 LYS 31 - HA2 GLY 66 far 10 100 10 - 7.0-19.7 HD2 LYS 31 - HA3 GLY 66 far 10 98 10 - 7.6-19.9 HG LEU 119 - HA3 GLY 66 poor 7 60 40 28 7.6-12.5 1976/10999=18...(3) HD3 LYS 31 - HA2 GLY 66 far 5 99 5 - 8.3-18.6 HD3 LYS 36 - HA2 GLY 66 far 5 97 5 - 7.6-14.6 HG LEU 119 - HA2 GLY 66 far 3 63 5 - 8.1-13.9 HD3 LYS 31 - HA3 GLY 66 far 0 97 0 - 8.3-18.9 HD2 LYS 36 - HA3 GLY 66 far 0 93 0 - 8.4-16.2 HD3 LYS 36 - HA3 GLY 66 far 0 94 0 - 8.7-15.8 HD2 LYS 36 - HA2 GLY 66 far 0 96 0 - 8.8-15.1 HD3 LYS 24 - HA2 GLY 66 far 0 100 0 - 9.7-24.7 Violated in 0 structures by 0.00 A. Peak 2084 from aliabs.peaks (2.16, 3.63, 47.54 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 69 + HA2 GLY 66 OK 100 100 100 100 2.4-6.0 3.2/11058=63...(23) HB3 LEU 69 + HA3 GLY 66 OK 99 99 100 100 4.1-6.9 ~11058=56, 2189=50...(22) HB3 GLN 68 + HA2 GLY 66 OK 66 76 100 87 6.3-7.8 2140/4.9=53, 3.7/6878=35...(6) HB3 GLN 68 + HA3 GLY 66 OK 60 73 95 87 7.0-8.3 2140/4.9=53, 3.7/6878=35...(6) HB2 GLU 97 - HA3 GLY 66 far 4 70 5 - 8.2-10.6 HB2 GLU 97 - HA2 GLY 66 far 0 73 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 2086 from aliabs.peaks (3.63, 3.63, 47.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 66 + HA3 GLY 66 OK 100 100 - 100 HA2 GLY 66 + HA2 GLY 66 OK 99 99 - 100 Reference assignment not found: HA2 GLY 66 - HA3 GLY 66 Peak 2087 from aliabs.peaks (3.63, 3.63, 47.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + HA3 GLY 66 OK 100 100 - 100 HA2 GLY 66 + HA2 GLY 66 OK 98 98 - 100 Peak 2090 from aliabs.peaks (1.65, 3.63, 47.54 ppm; 6.80 A): 6 out of 17 assignments used, quality = 1.00: * HB2 LEU 69 + HA3 GLY 66 OK 100 100 100 100 2.6-7.1 ~11058=56, 2180=50...(28) HG LEU 62 + HA3 GLY 66 OK 99 100 100 100 5.1-7.5 3.0/10999=61, ~9384=58...(20) HB2 LEU 69 + HA2 GLY 66 OK 99 99 100 100 2.7-5.5 11805/9991=72...(29) HG LEU 62 + HA2 GLY 66 OK 98 98 100 100 5.8-8.0 ~9384=58, ~10999=51...(19) HB2 LEU 123 + HA3 GLY 66 OK 60 100 90 67 4.6-9.0 ~10351=19, ~9433=13...(13) HB2 LEU 123 + HA2 GLY 66 OK 58 99 90 66 5.4-9.6 ~10351=19, ~9433=13...(12) HD2 LYS 31 - HA3 GLY 66 far 10 100 10 - 7.6-19.9 HD2 LYS 31 - HA2 GLY 66 far 10 98 10 - 7.0-19.7 HG LEU 119 - HA3 GLY 66 poor 7 63 40 28 7.6-12.5 1976/10999=17...(3) HD3 LYS 31 - HA2 GLY 66 far 5 97 5 - 8.3-18.6 HD3 LYS 36 - HA2 GLY 66 far 5 94 5 - 7.6-14.6 HG LEU 119 - HA2 GLY 66 far 3 60 5 - 8.1-13.9 HD3 LYS 31 - HA3 GLY 66 far 0 99 0 - 8.3-18.9 HD2 LYS 36 - HA3 GLY 66 far 0 96 0 - 8.4-16.2 HD3 LYS 36 - HA3 GLY 66 far 0 97 0 - 8.7-15.8 HD2 LYS 36 - HA2 GLY 66 far 0 93 0 - 8.8-15.1 HD3 LYS 24 - HA2 GLY 66 far 0 99 0 - 9.7-24.7 Violated in 0 structures by 0.00 A. Peak 2091 from aliabs.peaks (2.16, 3.63, 47.54 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 69 + HA3 GLY 66 OK 100 100 100 100 4.1-6.9 ~11058=56, 2190=50...(22) HB3 LEU 69 + HA2 GLY 66 OK 99 99 100 100 2.4-6.0 3.2/11058=66...(23) HB3 GLN 68 + HA2 GLY 66 OK 64 73 100 87 6.3-7.8 2140/4.9=53, 3.7/6879=35...(6) HB3 GLN 68 + HA3 GLY 66 OK 63 76 95 87 7.0-8.3 2140/4.9=53, 3.7/6879=35...(6) HB2 GLU 97 - HA3 GLY 66 far 4 73 5 - 8.2-10.6 HB2 GLU 97 - HA2 GLY 66 far 0 70 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 2093 from aliabs.peaks (4.21, 4.21, 58.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 67 + HA HIS 67 OK 100 100 - 100 HA GLU 128 + HA GLU 128 OK 38 38 - 100 Peak 2094 from aliabs.peaks (3.34, 4.21, 58.74 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HB2 HIS 67 + HA HIS 67 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 63 + HA HIS 67 OK 33 83 45 87 4.9-5.8 6860/2.9=26...(18) HB3 TYR 72 - HA HIS 67 far 0 100 0 - 7.9-10.4 HB3 PHE 89 - HA GLU 128 far 0 45 0 - 7.9-10.6 HB2 PHE 89 - HA GLU 128 far 0 26 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 2095 from aliabs.peaks (3.41, 4.21, 58.74 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 67 + HA HIS 67 OK 100 100 100 100 2.3-3.0 3.0=100 HA VAL 126 - HA GLU 128 far 0 23 0 - 6.6-6.9 HA VAL 126 - HA HIS 67 far 0 63 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 2096 from aliabs.peaks (7.16, 4.21, 58.74 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.99: * HD2 HIS 67 + HA HIS 67 OK 99 100 100 99 2.1-4.7 5501=70, 6870/2.9=48...(10) QD TYR 72 - HA HIS 67 far 0 68 0 - 7.4-8.1 Violated in 4 structures by 0.08 A. Peak 2099 from aliabs.peaks (8.46, 4.21, 58.74 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 70 + HA HIS 67 OK 100 100 100 100 3.4-4.1 6936=100, 3.6/6916=60...(20) H VAL 132 + HA GLU 128 OK 43 44 100 99 4.2-4.8 7908=59, 7914/4195=55...(13) H LEU 100 - HA HIS 67 far 0 76 0 - 6.4-8.0 H VAL 93 - HA GLU 128 far 0 23 0 - 8.5-10.6 H ASP 47 - HA GLU 128 far 0 44 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 2100 from aliabs.peaks (1.71, 4.21, 58.74 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 70 + HA HIS 67 OK 100 100 100 100 2.2-4.9 3.2/9462=64...(25) HB3 LEU 70 + HA HIS 67 OK 98 98 100 100 2.1-4.9 3.2/9462=64...(25) HG2 ARG 135 - HA GLU 128 far 0 45 0 - 7.9-9.5 HB2 LEU 43 - HA GLU 128 far 0 46 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2101 from aliabs.peaks (1.71, 4.21, 58.74 ppm; 4.10 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 70 + HA HIS 67 OK 100 100 100 100 2.1-4.9 3.2/9462=64...(25) HB2 LEU 70 + HA HIS 67 OK 98 98 100 100 2.2-4.9 3.2/9462=64...(25) HG2 ARG 135 - HA GLU 128 far 0 40 0 - 7.9-9.5 HB2 LEU 43 - HA GLU 128 far 0 41 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2102 from aliabs.peaks (4.45, 3.34, 27.59 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.99: * HA ASP 64 + HB2 HIS 67 OK 99 100 100 99 2.9-5.1 2046/1.8=82, 2045=55...(9) HA SER 106 - HB2 HIS 67 far 5 99 5 - 4.4-16.3 Violated in 2 structures by 0.05 A. Peak 2104 from aliabs.peaks (4.21, 3.34, 27.59 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * HA HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 29 - HB2 HIS 67 poor 17 83 20 - 4.1-12.0 HA GLU 30 - HB2 HIS 67 far 5 99 5 - 5.0-13.0 HA ALA 34 - HB2 HIS 67 far 0 99 0 - 7.4-16.7 HB THR 25 - HB2 HIS 67 far 0 87 0 - 9.7-20.3 Violated in 0 structures by 0.00 A. Peak 2105 from aliabs.peaks (3.34, 3.34, 27.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 67 + HB2 HIS 67 OK 100 100 - 100 Peak 2106 from aliabs.peaks (3.41, 3.34, 27.59 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HB2 HIS 67 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2107 from aliabs.peaks (7.16, 3.34, 27.59 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB2 HIS 67 OK 100 100 100 100 2.8-4.0 4.0=100 QD TYR 72 - HB2 HIS 67 far 0 68 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. Peak 2110 from aliabs.peaks (4.45, 3.41, 27.59 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 64 + HB3 HIS 67 OK 100 100 100 100 2.6-4.5 2046=100, 2102/1.8=81...(9) HA SER 106 - HB3 HIS 67 far 5 99 5 - 5.1-15.1 Violated in 2 structures by 0.01 A. Peak 2112 from aliabs.peaks (4.21, 3.41, 27.59 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * HA HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 29 - HB3 HIS 67 far 8 83 10 - 4.8-13.5 HA GLU 30 - HB3 HIS 67 far 5 99 5 - 5.3-13.9 HA ALA 34 - HB3 HIS 67 far 0 99 0 - 8.9-17.7 Violated in 0 structures by 0.00 A. Peak 2113 from aliabs.peaks (3.34, 3.41, 27.59 ppm; 3.29 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 67 + HB3 HIS 67 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 63 + HB3 HIS 67 OK 38 83 65 71 3.6-6.3 4.9/2046=23, 6860/3.8=16...(11) HB3 TYR 72 - HB3 HIS 67 far 0 100 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 2114 from aliabs.peaks (3.41, 3.41, 27.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HB3 HIS 67 OK 100 100 - 100 Peak 2115 from aliabs.peaks (7.16, 3.41, 27.59 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB3 HIS 67 OK 100 100 100 100 2.7-4.0 4.0=100 QD TYR 72 - HB3 HIS 67 far 0 68 0 - 7.6-9.6 Violated in 0 structures by 0.00 A. Peak 2118 from aliabs.peaks (7.86, 4.00, 58.83 ppm; 6.17 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 68 + HA GLN 68 OK 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 2119 from aliabs.peaks (4.00, 4.00, 58.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 68 + HA GLN 68 OK 100 100 - 100 HA ARG 135 + HA ARG 135 OK 64 64 - 100 Peak 2120 from aliabs.peaks (2.22, 4.00, 58.83 ppm; 3.60 A): 2 out of 11 assignments used, quality = 1.00: * HB2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.0-3.9 2151=99, 1.8/2123=74...(24) HB2 GLN 82 - HA ARG 135 far 3 69 5 - 4.2-12.5 HB2 PRO 81 - HA ARG 135 far 3 52 5 - 5.1-10.5 HB2 GLN 104 - HA GLN 68 far 0 57 0 - 7.9-12.6 HB VAL 133 - HA ARG 135 far 0 38 0 - 8.0-8.4 HB3 GLN 104 - HA GLN 68 far 0 100 0 - 8.2-13.4 HG2 GLU 97 - HA GLN 68 far 0 73 0 - 8.2-13.2 HB3 LEU 96 - HA GLN 68 far 0 73 0 - 9.3-12.4 HB2 GLN 101 - HA GLN 68 far 0 95 0 - 9.3-12.7 HB3 GLU 97 - HA GLN 68 far 0 100 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2121 from aliabs.peaks (2.18, 4.00, 58.83 ppm; 3.95 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 68 + HA GLN 68 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 PRO 81 - HA ARG 135 far 7 68 10 - 5.1-10.5 HB2 GLN 82 - HA ARG 135 far 2 42 5 - 4.2-12.5 HB3 LEU 69 - HA GLN 68 far 0 76 0 - 5.5-6.6 HB2 GLN 104 - HA GLN 68 far 0 99 0 - 7.9-12.6 HB VAL 133 - HA ARG 135 far 0 71 0 - 8.0-8.4 HB2 GLN 101 - HA GLN 68 far 0 71 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 2122 from aliabs.peaks (2.21, 4.00, 58.83 ppm; 3.61 A): 2 out of 11 assignments used, quality = 1.00: * HG2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.0-3.9 2151=100, 1.8/2123=74...(24) HB2 GLN 68 + HA GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 82 - HA ARG 135 far 4 72 5 - 4.2-12.5 HB2 PRO 81 - HA ARG 135 far 3 53 5 - 5.1-10.5 HB2 GLN 104 - HA GLN 68 far 0 65 0 - 7.9-12.6 HB VAL 133 - HA ARG 135 far 0 44 0 - 8.0-8.4 HB3 GLN 104 - HA GLN 68 far 0 99 0 - 8.2-13.4 HG2 GLU 97 - HA GLN 68 far 0 65 0 - 8.2-13.2 HB3 LEU 96 - HA GLN 68 far 0 65 0 - 9.3-12.4 HB2 GLN 101 - HA GLN 68 far 0 97 0 - 9.3-12.7 HB3 GLU 97 - HA GLN 68 far 0 100 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 2123 from aliabs.peaks (2.32, 4.00, 58.83 ppm; 3.56 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 68 + HA GLN 68 OK 100 100 100 100 2.7-4.1 2160=93, 1.8/2151=71...(20) HB3 GLN 134 - HA ARG 135 far 0 70 0 - 5.1-5.8 HG3 GLU 30 - HA GLN 68 far 0 97 0 - 7.9-15.7 HG2 GLN 27 - HA GLN 68 far 0 71 0 - 9.0-18.7 HB3 GLN 101 - HA GLN 68 far 0 87 0 - 9.2-13.5 HG2 GLU 40 - HA ARG 135 far 0 38 0 - 9.2-18.0 HG3 GLN 27 - HA GLN 68 far 0 65 0 - 9.8-17.1 Violated in 9 structures by 0.07 A. Peak 2124 from aliabs.peaks (6.82, 4.00, 58.83 ppm; 6.39 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HA GLN 68 OK 100 100 100 100 1.8-5.5 5.2=100 QE TYR 72 + HA GLN 68 OK 96 96 100 100 3.3-7.2 11830/2151=92...(14) Violated in 0 structures by 0.00 A. Peak 2125 from aliabs.peaks (7.77, 4.00, 58.83 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 68 + HA GLN 68 OK 100 100 100 100 3.5-6.4 5.2=100 H GLY 75 - HA GLN 68 far 0 93 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 2126 from aliabs.peaks (8.30, 4.00, 58.83 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 69 + HA GLN 68 OK 100 100 100 100 3.5-3.6 3.6=100 H TYR 72 + HA GLN 68 OK 75 76 100 99 4.4-4.9 3.4/6956=64, 4.6/2129=54...(17) H ASP 131 - HA ARG 135 far 0 44 0 - 7.2-9.4 H LEU 49 - HA GLN 68 far 0 100 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 2127 from aliabs.peaks (8.13, 4.00, 58.83 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 71 + HA GLN 68 OK 100 100 100 100 3.5-4.0 6956=100, 6968/2129=78...(21) H ILE 32 - HA GLN 68 poor 16 99 25 65 5.5-10.9 919/11015=39...(6) H VAL 133 - HA ARG 135 far 7 73 10 - 6.0-7.0 Violated in 0 structures by 0.00 A. Peak 2128 from aliabs.peaks (2.61, 4.00, 58.83 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HA GLN 68 OK 100 100 100 100 3.3-4.3 2284=82, 1.8/2129=79...(15) Violated in 6 structures by 0.04 A. Peak 2129 from aliabs.peaks (2.81, 4.00, 58.83 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.95: * HB3 ASP 71 + HA GLN 68 OK 95 100 95 100 2.5-5.4 2290=80, 1.8/2128=71...(14) HB3 ASN 85 - HA ARG 135 far 3 68 5 - 4.8-9.8 HB3 ASP 64 - HA GLN 68 far 0 100 0 - 6.9-9.1 HB2 ASN 13 - HA GLN 68 far 0 97 0 - 9.8-33.1 Violated in 2 structures by 0.08 A. Peak 2130 from aliabs.peaks (3.97, 2.22, 28.25 ppm; 5.08 A): 4 out of 21 assignments used, quality = 1.00: * HA THR 65 + HB2 GLN 68 OK 100 100 100 100 2.7-4.3 11023/3.0=70...(21) HA GLN 127 + HB3 GLU 128 OK 52 52 100 98 5.5-6.5 3.6/7852=38, 2.9/7814=38...(23) HA LEU 100 + HB3 GLU 102 OK 48 52 95 97 5.4-6.8 7445/3.8=56, 4.9/3207=54...(15) HB2 SER 124 + HB3 GLU 128 OK 24 39 90 69 4.6-7.2 4.5/10359=26...(6) HB3 SER 99 - HB3 GLU 102 poor 20 28 70 - 6.0-7.8 HB2 SER 106 - HB3 GLU 102 poor 18 53 35 - 3.9-11.3 HB3 SER 106 - HB3 GLU 102 poor 15 50 30 - 4.0-12.4 HB3 SER 107 - HB3 GLU 102 poor 14 48 30 - 3.5-14.6 HB3 SER 107 - HB2 GLN 68 far 5 97 5 - 5.1-15.7 HD3 PRO 117 - HB3 GLU 102 far 2 41 5 - 6.5-12.9 HB3 SER 106 - HB2 GLN 68 far 0 98 0 - 7.6-19.7 HA SER 50 - HB3 GLU 128 far 0 29 0 - 7.7-12.1 HA VAL 20 - HB3 GLU 102 far 0 38 0 - 7.9-40.6 HA3 GLY 17 - HB3 GLU 102 far 0 46 0 - 7.9-44.3 HA GLU 91 - HB3 GLU 128 far 0 52 0 - 8.0-12.2 HA2 GLY 17 - HB3 GLU 102 far 0 39 0 - 8.0-46.0 HA3 GLY 111 - HB3 GLU 102 far 0 31 0 - 8.6-19.5 HA2 GLY 17 - HB2 GLN 68 far 0 85 0 - 8.7-30.4 HB2 SER 106 - HB2 GLN 68 far 0 100 0 - 9.1-20.0 HB3 SER 94 - HB3 GLU 128 far 0 52 0 - 9.3-12.2 HA VAL 20 - HB2 GLN 68 far 0 83 0 - 9.3-25.0 Violated in 0 structures by 0.00 A. Peak 2131 from aliabs.peaks (7.86, 2.22, 28.25 ppm; 5.94 A): 3 out of 6 assignments used, quality = 1.00: * H GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.1-2.6 3.7=100 H GLU 102 + HB3 GLU 102 OK 52 52 100 100 2.2-3.6 3.8=100 H GLU 128 + HB3 GLU 128 OK 43 43 100 100 2.1-3.5 3.6=100 H ALA 88 - HB2 GLN 82 far 0 87 0 - 7.9-9.7 H ALA 88 - HB3 GLU 128 far 0 51 0 - 8.7-12.3 H ALA 41 - HB2 GLN 68 far 0 63 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 2132 from aliabs.peaks (4.00, 2.22, 28.25 ppm; 4.79 A): 3 out of 19 assignments used, quality = 1.00: * HA GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 103 + HB3 GLU 102 OK 47 47 100 100 4.1-5.4 3.0/7469=77, ~7468=42...(25) HB2 SER 124 + HB3 GLU 128 OK 22 46 80 59 4.6-7.2 3.0/2937=24...(6) HB3 SER 124 - HB3 GLU 128 poor 16 48 60 54 5.7-8.7 3979/10359=24...(4) HA ILE 37 - HB2 GLN 68 far 13 87 15 - 5.4-12.1 HA ARG 135 - HB2 GLN 82 far 12 77 15 - 4.2-12.5 HB3 SER 99 - HB3 GLU 102 poor 10 52 20 - 6.0-7.8 HB3 SER 106 - HB3 GLU 102 poor 10 34 30 - 4.0-12.4 HB3 SER 106 - HB2 GLN 68 far 0 76 0 - 7.6-19.7 HA SER 50 - HB3 GLU 128 far 0 51 0 - 7.7-12.1 HA LEU 119 - HB3 GLU 102 far 0 34 0 - 7.7-12.7 HA VAL 20 - HB3 GLU 102 far 0 47 0 - 7.9-40.6 HA LYS 95 - HB3 GLU 102 far 0 35 0 - 7.9-10.8 HA GLU 91 - HB3 GLU 128 far 0 25 0 - 8.0-12.2 HB2 SER 38 - HB2 GLN 68 far 0 100 0 - 9.1-16.1 HB3 SER 94 - HB3 GLU 128 far 0 24 0 - 9.3-12.2 HA LYS 95 - HB3 GLU 128 far 0 35 0 - 9.3-11.6 HA VAL 20 - HB2 GLN 68 far 0 96 0 - 9.3-25.0 HA SER 60 - HB2 GLN 68 far 0 99 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2133 from aliabs.peaks (2.22, 2.22, 28.25 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 68 + HB2 GLN 68 OK 100 100 - 100 HB2 GLN 82 + HB2 GLN 82 OK 83 83 - 100 HB3 GLU 102 + HB3 GLU 102 OK 49 49 - 100 HB3 GLU 128 + HB3 GLU 128 OK 46 46 - 100 Peak 2134 from aliabs.peaks (2.18, 2.22, 28.25 ppm; 3.05 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLN 68 + HB2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 69 - HB2 GLN 68 poor 15 76 20 - 4.2-7.0 HB2 PRO 81 - HB2 GLN 82 far 4 82 5 - 3.6-6.8 HB2 GLN 101 - HB3 GLU 102 far 0 31 0 - 5.1-7.1 HG2 GLU 91 - HB3 GLU 128 far 0 24 0 - 6.6-11.7 HB VAL 133 - HB2 GLN 82 far 0 85 0 - 6.7-11.4 HB2 GLN 104 - HB3 GLU 102 far 0 51 0 - 6.7-9.6 HB2 GLN 104 - HB2 GLN 68 far 0 99 0 - 8.2-12.8 HB3 LEU 69 - HB3 GLU 128 far 0 33 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 2135 from aliabs.peaks (2.21, 2.22, 28.25 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLN 68 + HB2 GLN 68 OK 100 100 - 100 HB2 GLN 82 + HB2 GLN 82 OK 86 86 - 100 HB3 GLU 102 + HB3 GLU 102 OK 46 46 - 100 HB3 GLU 128 + HB3 GLU 128 OK 42 42 - 100 Reference assignment not found: HG2 GLN 68 - HB2 GLN 68 Peak 2136 from aliabs.peaks (2.32, 2.22, 28.25 ppm; 4.74 A): 4 out of 12 assignments used, quality = 1.00: * HG3 GLN 68 + HB2 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 102 + HB3 GLU 102 OK 50 50 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB3 GLU 128 OK 35 35 100 100 2.3-3.0 3.0=100 HB3 GLN 101 + HB3 GLU 102 OK 30 41 75 97 5.2-7.1 7449/3.8=63, 2.9/3316=18...(31) HG2 GLN 127 - HB3 GLU 128 poor 19 32 60 - 4.5-7.6 HG3 GLU 30 - HB2 GLN 68 far 5 97 5 - 5.2-16.8 HG2 GLN 27 - HB3 GLU 102 far 2 31 5 - 5.6-29.6 HG3 GLN 27 - HB3 GLU 102 far 1 28 5 - 6.2-28.0 HB3 GLN 134 - HB2 GLN 82 far 0 84 0 - 8.2-15.4 HG2 GLU 44 - HB2 GLN 68 far 0 100 0 - 8.5-14.9 HG3 GLN 27 - HB2 GLN 68 far 0 65 0 - 8.8-17.0 HG2 GLN 27 - HB2 GLN 68 far 0 71 0 - 9.3-16.1 Violated in 0 structures by 0.00 A. Peak 2137 from aliabs.peaks (6.82, 2.22, 28.25 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: * HE21 GLN 68 + HB2 GLN 68 OK 100 100 100 100 1.8-3.8 4.6=100 QE TYR 72 + HB2 GLN 68 OK 96 96 100 100 3.8-7.5 11830/3.0=97...(22) HE21 GLN 101 + HB3 GLU 102 OK 21 35 100 61 4.5-7.7 3.5/3316=19, 3.5/4101=19...(9) HE21 GLN 127 - HB3 GLU 128 poor 13 51 40 64 5.1-10.0 4.5/4043=34, 6.8/7814=29...(4) QE TYR 72 - HB3 GLU 128 far 0 47 0 - 8.6-16.0 HE21 GLN 127 - HB2 GLN 68 far 0 99 0 - 10.0-18.3 Violated in 0 structures by 0.00 A. Peak 2138 from aliabs.peaks (7.77, 2.22, 28.25 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HE22 GLN 68 + HB2 GLN 68 OK 100 100 100 100 3.3-4.9 4.6=100 HD22 ASN 121 - HB3 GLU 102 poor 19 52 40 92 6.9-11.6 10332/11545=91...(3) H LEU 98 - HB3 GLU 102 poor 17 28 85 69 5.6-8.5 3.8/2139=18...(11) HD22 ASN 121 - HB3 GLU 128 far 0 51 0 - 9.1-13.6 Violated in 0 structures by 0.00 A. Peak 2139 from aliabs.peaks (8.30, 2.22, 28.25 ppm; 5.17 A): 5 out of 11 assignments used, quality = 1.00: * H LEU 69 + HB2 GLN 68 OK 100 100 100 100 2.4-4.0 4.4=100 H SER 99 + HB3 GLU 102 OK 41 51 80 100 5.1-7.3 2.9/3207=81, ~3332=66...(21) H TYR 72 + HB2 GLN 68 OK 38 76 50 99 6.2-6.9 ~6956=42, 2126/3.0=35...(19) H VAL 126 + HB3 GLU 128 OK 33 39 90 96 4.8-7.0 3.6/3987=49, 3.5/7814=35...(15) H ASP 131 + HB3 GLU 128 OK 29 29 100 98 5.2-5.9 4084/3.0=51, ~7908=38...(16) H ALA 110 - HB3 GLU 102 far 2 42 5 - 6.3-16.8 H LEU 49 - HB2 GLN 68 far 0 100 0 - 6.7-11.0 H LEU 96 - HB3 GLU 128 far 0 33 0 - 7.3-8.8 H ALA 21 - HB3 GLU 102 far 0 45 0 - 8.2-42.0 H ALA 21 - HB2 GLN 68 far 0 93 0 - 8.3-26.3 H LEU 96 - HB3 GLU 102 far 0 34 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 2140 from aliabs.peaks (3.97, 2.18, 28.25 ppm; 4.85 A): 1 out of 7 assignments used, quality = 1.00: * HA THR 65 + HB3 GLN 68 OK 100 100 100 100 4.1-5.3 11023/3.0=64, 2066=58...(20) HB3 SER 107 - HB3 GLN 68 far 5 97 5 - 6.3-17.1 HA2 GLY 17 - HB3 GLN 68 far 0 85 0 - 7.6-29.2 HB3 SER 106 - HB3 GLN 68 far 0 98 0 - 8.1-21.0 HA VAL 20 - HB3 GLN 68 far 0 83 0 - 8.5-24.0 HA3 GLY 17 - HB3 GLN 68 far 0 95 0 - 9.1-27.6 HB2 SER 106 - HB3 GLN 68 far 0 100 0 - 9.6-21.3 Violated in 5 structures by 0.04 A. Peak 2141 from aliabs.peaks (7.86, 2.18, 28.25 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB3 GLN 68 OK 100 100 100 100 3.3-3.6 3.7=100 H ALA 41 - HB3 GLN 68 far 0 63 0 - 8.4-13.8 Violated in 0 structures by 0.00 A. Peak 2142 from aliabs.peaks (4.00, 2.18, 28.25 ppm; 4.67 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.2-2.8 3.0=100 HA ILE 37 - HB3 GLN 68 far 13 87 15 - 4.3-10.4 HB2 SER 38 - HB3 GLN 68 far 0 100 0 - 7.4-14.8 HB3 SER 106 - HB3 GLN 68 far 0 76 0 - 8.1-21.0 HA VAL 20 - HB3 GLN 68 far 0 96 0 - 8.5-24.0 Violated in 0 structures by 0.00 A. Peak 2143 from aliabs.peaks (2.22, 2.18, 28.25 ppm; 2.90 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 68 + HB3 GLN 68 OK 99 100 100 99 2.4-3.0 3.0=91, 2151/3.0=35...(20) HB3 GLN 104 - HB3 GLN 68 far 0 100 0 - 9.2-14.6 HB2 GLN 104 - HB3 GLN 68 far 0 57 0 - 9.5-14.1 HB3 LEU 96 - HB3 GLN 68 far 0 73 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 2144 from aliabs.peaks (2.18, 2.18, 28.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 68 + HB3 GLN 68 OK 100 100 - 100 Peak 2145 from aliabs.peaks (2.21, 2.18, 28.25 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 104 - HB3 GLN 68 far 0 99 0 - 9.2-14.6 HB2 GLN 104 - HB3 GLN 68 far 0 65 0 - 9.5-14.1 HB3 LEU 96 - HB3 GLN 68 far 0 65 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 2146 from aliabs.peaks (2.32, 2.18, 28.25 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 68 + HB3 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 30 - HB3 GLN 68 far 0 97 0 - 6.1-16.3 HG2 GLU 44 - HB3 GLN 68 far 0 100 0 - 8.1-14.4 HG3 GLN 27 - HB3 GLN 68 far 0 65 0 - 8.2-17.5 HG2 GLN 27 - HB3 GLN 68 far 0 71 0 - 8.9-16.5 Violated in 0 structures by 0.00 A. Peak 2147 from aliabs.peaks (6.82, 2.18, 28.25 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HB3 GLN 68 OK 100 100 100 100 1.8-4.5 4.6=100 QE TYR 72 + HB3 GLN 68 OK 96 96 100 100 2.3-7.0 11830/3.0=97...(20) Violated in 0 structures by 0.00 A. Peak 2148 from aliabs.peaks (7.77, 2.18, 28.25 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 68 + HB3 GLN 68 OK 100 100 100 100 3.2-5.0 4.6=100 H GLY 75 - HB3 GLN 68 far 0 93 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2149 from aliabs.peaks (8.30, 2.18, 28.25 ppm; 5.75 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 69 + HB3 GLN 68 OK 100 100 100 100 2.4-4.1 4.4=100 H TYR 72 + HB3 GLN 68 OK 76 76 100 100 5.3-6.2 ~6956=52, 3.6/11111=48...(23) H LEU 49 - HB3 GLN 68 far 0 100 0 - 7.5-10.8 H ALA 21 - HB3 GLN 68 far 0 93 0 - 7.9-25.3 H LEU 43 - HB3 GLN 68 far 0 97 0 - 9.1-12.7 H GLU 40 - HB3 GLN 68 far 0 97 0 - 9.9-16.3 Violated in 0 structures by 0.00 A. Peak 2151 from aliabs.peaks (4.00, 2.21, 33.81 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.0-3.9 3.7=92, 2123/1.8=74...(25) HA ILE 37 - HG2 GLN 68 far 4 87 5 - 4.5-11.7 HB2 SER 38 - HG2 GLN 68 far 0 100 0 - 8.6-16.8 HA SER 50 - HG2 GLN 68 far 0 99 0 - 9.5-16.2 HB3 SER 106 - HG2 GLN 68 far 0 76 0 - 9.8-19.9 HA SER 60 - HG2 GLN 68 far 0 99 0 - 10.0-12.6 Violated in 11 structures by 0.08 A. Peak 2152 from aliabs.peaks (2.22, 2.21, 33.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG2 GLN 68 + HG2 GLN 68 OK 100 100 - 100 Reference assignment not found: HB2 GLN 68 - HG2 GLN 68 Peak 2153 from aliabs.peaks (2.18, 2.21, 33.81 ppm; 4.74 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 69 + HG2 GLN 68 OK 49 76 65 100 2.9-7.0 9443/9479=56...(36) HB2 GLN 104 - HG2 GLN 68 far 0 99 0 - 8.6-13.7 Violated in 0 structures by 0.00 A. Peak 2154 from aliabs.peaks (2.21, 2.21, 33.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 68 + HG2 GLN 68 OK 100 100 - 100 Peak 2155 from aliabs.peaks (2.32, 2.21, 33.81 ppm; 2.81 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 68 + HG2 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 30 - HG2 GLN 68 far 0 97 0 - 5.0-16.5 HG2 GLU 44 - HG2 GLN 68 far 0 100 0 - 8.0-15.3 HG3 GLN 27 - HG2 GLN 68 far 0 65 0 - 8.6-17.4 HG2 GLN 127 - HG2 GLN 68 far 0 73 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 2156 from aliabs.peaks (6.82, 2.21, 33.81 ppm; 4.47 A): 2 out of 3 assignments used, quality = 1.00: * HE21 GLN 68 + HG2 GLN 68 OK 100 100 100 100 2.1-3.6 3.5=100 QE TYR 72 + HG2 GLN 68 OK 95 96 100 100 3.7-5.1 2.2/9481=66, 9549/1.8=59...(18) HE21 GLN 127 - HG2 GLN 68 far 0 99 0 - 7.7-17.8 Violated in 0 structures by 0.00 A. Peak 2158 from aliabs.peaks (8.30, 2.21, 33.81 ppm; 5.26 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 69 + HG2 GLN 68 OK 100 100 100 100 1.7-4.8 6922/1.8=92, 3.6/2151=86...(24) H TYR 72 + HG2 GLN 68 OK 64 76 85 99 5.4-7.0 4.5/9481=60...(17) H LEU 49 - HG2 GLN 68 far 10 100 10 - 5.8-13.2 H ALA 21 - HG2 GLN 68 far 0 93 0 - 8.6-26.3 H VAL 126 - HG2 GLN 68 far 0 85 0 - 8.7-15.2 H LEU 43 - HG2 GLN 68 far 0 97 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 2159 from aliabs.peaks (7.86, 2.32, 33.81 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.2-4.4 5.1=100 H ALA 41 - HG3 GLN 68 far 3 63 5 - 8.0-14.2 Violated in 0 structures by 0.00 A. Peak 2160 from aliabs.peaks (4.00, 2.32, 33.81 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.7-4.1 2123=100, 2151/1.8=74...(20) HA ILE 37 - HG3 GLN 68 far 4 87 5 - 3.5-11.0 HB2 SER 38 - HG3 GLN 68 far 0 100 0 - 7.4-15.8 HA VAL 20 - HG3 GLN 68 far 0 96 0 - 9.2-23.9 HA SER 60 - HG3 GLN 68 far 0 99 0 - 9.5-13.7 Violated in 5 structures by 0.04 A. Peak 2161 from aliabs.peaks (2.22, 2.32, 33.81 ppm; 4.74 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 68 + HG3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 104 - HG3 GLN 68 far 0 57 0 - 8.1-14.8 HB3 GLN 104 - HG3 GLN 68 far 0 100 0 - 8.1-15.8 HG2 GLU 97 - HG3 GLN 68 far 0 73 0 - 9.4-16.3 HB3 LEU 96 - HG3 GLN 68 far 0 73 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2162 from aliabs.peaks (2.18, 2.32, 33.81 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 69 + HG3 GLN 68 OK 44 76 60 96 3.3-6.9 9443/11016=33...(31) HB2 GLN 104 - HG3 GLN 68 far 0 99 0 - 8.1-14.8 Violated in 0 structures by 0.00 A. Peak 2163 from aliabs.peaks (2.21, 2.32, 33.81 ppm; 2.59 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 68 + HG3 GLN 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 68 + HG3 GLN 68 OK 93 100 100 93 2.2-3.0 3.0=64, 3.0/2123=28...(15) HB2 GLN 104 - HG3 GLN 68 far 0 65 0 - 8.1-14.8 HB3 GLN 104 - HG3 GLN 68 far 0 99 0 - 8.1-15.8 HG2 GLU 97 - HG3 GLN 68 far 0 65 0 - 9.4-16.3 HB3 LEU 96 - HG3 GLN 68 far 0 65 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2164 from aliabs.peaks (2.32, 2.32, 33.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 68 + HG3 GLN 68 OK 100 100 - 100 Peak 2165 from aliabs.peaks (6.82, 2.32, 33.81 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * HE21 GLN 68 + HG3 GLN 68 OK 100 100 100 100 2.3-3.6 3.5=100 QE TYR 72 + HG3 GLN 68 OK 96 96 100 100 1.9-6.0 11830/1.8=85...(16) HE21 GLN 127 - HG3 GLN 68 far 0 99 0 - 8.2-17.4 Violated in 0 structures by 0.00 A. Peak 2167 from aliabs.peaks (8.30, 2.32, 33.81 ppm; 4.94 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 69 + HG3 GLN 68 OK 100 100 100 100 2.3-4.9 6922=100, 3.6/2123=81...(21) H TYR 72 + HG3 GLN 68 OK 40 76 55 97 4.8-7.9 4.5/9482=54...(13) H LEU 49 - HG3 GLN 68 far 0 100 0 - 6.8-12.2 H ALA 21 - HG3 GLN 68 far 0 93 0 - 8.0-24.9 H LEU 43 - HG3 GLN 68 far 0 97 0 - 8.8-13.4 H VAL 126 - HG3 GLN 68 far 0 85 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 2168 from aliabs.peaks (8.30, 4.35, 58.02 ppm; 5.64 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 69 + HA LEU 69 OK 100 100 100 100 2.8-2.9 2.9=100 H TYR 72 + HA LEU 69 OK 76 76 100 100 3.2-3.8 3.8/2178=75...(28) H LEU 43 - HA LEU 69 far 0 97 0 - 7.2-8.8 H LEU 49 - HA LEU 69 far 0 100 0 - 7.4-10.3 H VAL 126 - HA LEU 69 far 0 85 0 - 7.8-11.2 H GLU 40 - HA LEU 69 far 0 97 0 - 9.2-13.1 H ASP 131 - HA LEU 69 far 0 68 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 2169 from aliabs.peaks (4.35, 4.35, 58.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 69 + HA LEU 69 OK 100 100 - 100 Peak 2170 from aliabs.peaks (1.65, 4.35, 58.02 ppm; 4.84 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 69 + HA LEU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 36 - HA LEU 69 poor 19 97 20 - 3.7-10.4 HD2 LYS 36 - HA LEU 69 poor 8 96 35 25 4.0-9.1 10818/10919=8...(7) HD2 LYS 31 - HA LEU 69 far 0 100 0 - 6.8-16.3 HD3 LYS 31 - HA LEU 69 far 0 99 0 - 8.3-16.6 HG LEU 43 - HA LEU 69 far 0 99 0 - 8.3-10.5 HD3 LYS 26 - HA LEU 69 far 0 96 0 - 9.0-21.9 HD2 LYS 26 - HA LEU 69 far 0 98 0 - 9.8-22.4 HD3 LYS 24 - HA LEU 69 far 0 100 0 - 9.9-24.3 Violated in 0 structures by 0.00 A. Peak 2171 from aliabs.peaks (2.16, 4.35, 58.02 ppm; 5.17 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + HA LEU 69 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLN 68 + HA LEU 69 OK 76 76 100 100 3.8-5.2 ~6922=44, 6927/2.9=40...(27) HB2 GLU 97 - HA LEU 69 far 0 73 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 2172 from aliabs.peaks (1.51, 4.35, 58.02 ppm; 4.74 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 69 + HA LEU 69 OK 100 100 100 100 3.1-4.1 3.7=100 HG LEU 42 + HA LEU 69 OK 50 60 85 99 4.1-7.1 2.1/9100=85, 2.1/9102=44...(18) HB3 LEU 42 + HA LEU 69 OK 22 60 40 92 3.4-7.4 3.1/9100=72, 3.2/9102=38...(12) HB2 LEU 49 - HA LEU 69 far 0 85 0 - 6.7-9.2 Violated in 0 structures by 0.00 A. Peak 2173 from aliabs.peaks (1.01, 4.35, 58.02 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + HA LEU 69 OK 100 100 100 100 1.4-3.8 2208=100, 11066/9100=41...(25) Violated in 1 structures by 0.00 A. Peak 2174 from aliabs.peaks (0.87, 4.35, 58.02 ppm; 4.30 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 69 + HA LEU 69 OK 100 100 100 100 1.8-4.1 3.9=100 QD2 LEU 70 + HA LEU 69 OK 52 98 55 97 4.1-7.1 2268/3.6=50, 2269/4.9=49...(17) QG2 ILE 32 - HA LEU 69 poor 20 65 45 67 4.4-8.7 3.0/10827=43, ~11056=11...(10) QD2 LEU 48 - HA LEU 69 far 0 60 0 - 5.9-10.0 QD2 LEU 123 - HA LEU 69 far 0 90 0 - 7.0-11.4 QG1 VAL 133 - HA LEU 69 far 0 65 0 - 7.0-8.9 QG2 VAL 20 - HA LEU 69 far 0 65 0 - 9.0-21.9 QG1 VAL 118 - HA LEU 69 far 0 65 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 2175 from aliabs.peaks (8.46, 4.35, 58.02 ppm; 5.35 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 69 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 47 - HA LEU 69 far 0 99 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 2176 from aliabs.peaks (8.32, 4.35, 58.02 ppm; 6.28 A): 3 out of 4 assignments used, quality = 1.00: * H TYR 72 + HA LEU 69 OK 100 100 100 100 3.2-3.8 6973=100, 6974/3.6=90...(28) H LEU 69 + HA LEU 69 OK 76 76 100 100 2.8-2.9 2.9=100 H GLU 44 + HA LEU 69 OK 24 97 30 84 7.3-9.0 ~9149=57, 9132/10901=32...(7) H LEU 49 - HA LEU 69 poor 13 81 25 62 7.4-10.3 5.0/11033=19...(7) Violated in 0 structures by 0.00 A. Peak 2177 from aliabs.peaks (3.02, 4.35, 58.02 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HA LEU 69 OK 100 100 100 100 2.5-5.4 1.8/2178=95, 3.8/6973=93...(25) Violated in 0 structures by 0.00 A. Peak 2178 from aliabs.peaks (3.34, 4.35, 58.02 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + HA LEU 69 OK 100 100 100 100 2.5-5.2 3.8/6973=80...(25) HB2 HIS 67 - HA LEU 69 far 0 100 0 - 7.4-8.6 HA VAL 63 - HA LEU 69 far 0 78 0 - 9.7-10.6 Violated in 1 structures by 0.02 A. Peak 2179 from aliabs.peaks (3.63, 1.65, 40.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + HB2 LEU 69 OK 100 100 100 100 2.7-5.5 11058/3.2=62...(28) HA3 GLY 66 + HB2 LEU 69 OK 100 100 100 100 2.6-7.1 ~11058=56, ~11053=49...(28) Violated in 0 structures by 0.00 A. Peak 2180 from aliabs.peaks (3.63, 1.65, 40.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + HB2 LEU 69 OK 100 100 100 100 2.6-7.1 ~11058=56, ~11053=49...(28) HA2 GLY 66 + HB2 LEU 69 OK 100 100 100 100 2.7-5.5 11058/3.2=66...(29) Violated in 0 structures by 0.00 A. Peak 2181 from aliabs.peaks (8.30, 1.65, 40.44 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: * H LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.1-3.6 3.7=100 H LEU 49 + HB2 LEU 69 OK 87 100 95 92 5.8-9.3 5.0/11034=34...(12) H TYR 72 + HB2 LEU 69 OK 76 76 100 100 4.9-5.8 6973/3.0=65, 9522/3.2=63...(24) H VAL 126 + HB2 LEU 69 OK 75 85 90 98 5.2-9.2 ~11052=76, ~11077=52...(17) H LEU 43 - HB2 LEU 69 far 10 97 10 - 7.0-10.5 H LEU 96 - HB2 LEU 69 far 8 76 10 - 8.1-11.0 H ASP 131 - HB2 LEU 69 far 0 68 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 2182 from aliabs.peaks (4.35, 1.65, 40.44 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.2-3.0 3.0=100 HA CYS 73 + HB2 LEU 69 OK 54 60 90 100 5.9-8.4 ~11084=66, ~9563=66...(19) HA ASP 47 - HB2 LEU 69 poor 19 97 20 - 7.5-10.9 HA CYS 125 - HB2 LEU 69 far 0 99 0 - 8.4-11.5 Violated in 0 structures by 0.00 A. Peak 2183 from aliabs.peaks (1.65, 1.65, 40.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 69 + HB2 LEU 69 OK 100 100 - 100 Peak 2184 from aliabs.peaks (2.16, 1.65, 40.44 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + HB2 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 68 + HB2 LEU 69 OK 72 76 95 100 4.9-7.1 3.0/11022=49...(25) HB2 GLU 97 - HB2 LEU 69 far 0 73 0 - 7.9-11.8 Violated in 0 structures by 0.00 A. Peak 2185 from aliabs.peaks (1.51, 1.65, 40.44 ppm; 6.35 A): 4 out of 5 assignments used, quality = 1.00: * HG LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 49 + HB2 LEU 69 OK 81 85 95 100 4.4-7.9 ~11049=70, ~11048=66...(30) HG LEU 42 + HB2 LEU 69 OK 51 60 85 100 3.7-9.0 ~11039=85, ~11066=84...(36) HB3 LEU 42 + HB2 LEU 69 OK 30 60 50 100 5.6-9.1 ~11039=71, ~11066=70...(46) HB2 LEU 53 - HB2 LEU 69 far 0 99 0 - 8.2-14.1 Violated in 0 structures by 0.00 A. Peak 2186 from aliabs.peaks (1.01, 1.65, 40.44 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.0-3.2 3.2=100 QG2 VAL 118 - HB2 LEU 69 far 0 100 0 - 9.2-15.4 Violated in 0 structures by 0.00 A. Peak 2187 from aliabs.peaks (0.87, 1.65, 40.44 ppm; 4.74 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 69 + HB2 LEU 69 OK 100 100 100 100 2.0-3.2 3.0=100 QD2 LEU 70 + HB2 LEU 69 OK 87 98 90 99 2.1-6.6 11115/11493=67...(24) QD2 LEU 123 + HB2 LEU 69 OK 23 90 75 34 5.0-9.2 11422/11034=8...(10) QD2 LEU 48 - HB2 LEU 69 poor 12 60 20 - 5.3-9.3 QG2 ILE 32 - HB2 LEU 69 far 7 65 10 - 6.1-9.8 QG1 VAL 133 - HB2 LEU 69 far 0 65 0 - 6.4-9.5 QG1 VAL 118 - HB2 LEU 69 far 0 65 0 - 7.5-13.1 QG2 VAL 20 - HB2 LEU 69 far 0 65 0 - 8.3-23.3 QD2 LEU 98 - HB2 LEU 69 far 0 90 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 2188 from aliabs.peaks (8.46, 1.65, 40.44 ppm; 6.30 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 69 OK 100 100 100 100 2.3-3.9 4.4=100 H ASP 47 + HB2 LEU 69 OK 63 99 65 98 5.5-9.2 1462/9183=54...(11) H LEU 100 - HB2 LEU 69 far 0 76 0 - 8.8-11.5 H VAL 93 - HB2 LEU 69 far 0 63 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 2189 from aliabs.peaks (3.63, 2.16, 40.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + HB3 LEU 69 OK 100 100 100 100 2.4-6.0 11058/3.2=62...(23) HA3 GLY 66 + HB3 LEU 69 OK 100 100 100 100 4.1-6.9 ~11058=56, ~11053=49...(22) Violated in 0 structures by 0.00 A. Peak 2190 from aliabs.peaks (3.63, 2.16, 40.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + HB3 LEU 69 OK 100 100 100 100 4.1-6.9 ~11058=56, ~11053=49...(22) HA2 GLY 66 + HB3 LEU 69 OK 100 100 100 100 2.4-6.0 11058/3.2=66...(23) Violated in 0 structures by 0.00 A. Peak 2191 from aliabs.peaks (8.30, 2.16, 40.44 ppm; 6.28 A): 5 out of 7 assignments used, quality = 1.00: * H LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.0-3.6 3.7=100 H LEU 49 + HB3 LEU 69 OK 87 100 90 96 4.9-8.4 11703/9443=70...(14) H TYR 72 + HB3 LEU 69 OK 76 76 100 100 4.9-5.9 6973/3.0=65, 9522/3.2=59...(27) H LEU 43 + HB3 LEU 69 OK 32 97 35 94 7.1-10.0 6535/9149=71, ~10944=29...(12) H VAL 126 + HB3 LEU 69 OK 20 85 25 95 5.4-10.3 ~11052=67, ~11077=45...(13) H ASP 131 - HB3 LEU 69 far 0 68 0 - 8.7-11.3 H LEU 96 - HB3 LEU 69 far 0 76 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 2192 from aliabs.peaks (4.35, 2.16, 40.44 ppm; 5.42 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.2-2.9 3.0=100 HA CYS 73 - HB3 LEU 69 far 6 60 10 - 6.2-8.7 HA ASP 47 - HB3 LEU 69 far 0 97 0 - 7.0-10.5 HA CYS 125 - HB3 LEU 69 far 0 99 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 2193 from aliabs.peaks (1.65, 2.16, 40.44 ppm; 5.85 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 36 - HB3 LEU 69 poor 19 96 20 - 5.4-11.3 HD3 LYS 36 - HB3 LEU 69 poor 9 97 25 37 5.7-12.2 2170/3.0=7, ~2170=6...(13) HD2 LYS 31 - HB3 LEU 69 far 5 100 5 - 6.5-18.5 HD3 LYS 31 - HB3 LEU 69 far 0 99 0 - 8.0-17.2 HG LEU 43 - HB3 LEU 69 far 0 99 0 - 8.2-11.5 HD3 LYS 26 - HB3 LEU 69 far 0 96 0 - 8.5-23.2 HB2 LEU 123 - HB3 LEU 69 far 0 100 0 - 8.6-13.7 HG LEU 62 - HB3 LEU 69 far 0 100 0 - 9.5-12.2 HD3 LYS 24 - HB3 LEU 69 far 0 100 0 - 9.7-23.2 HD2 LYS 26 - HB3 LEU 69 far 0 98 0 - 9.8-23.6 Violated in 0 structures by 0.00 A. Peak 2194 from aliabs.peaks (2.16, 2.16, 40.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + HB3 LEU 69 OK 100 100 - 100 Peak 2195 from aliabs.peaks (1.51, 2.16, 40.44 ppm; 5.12 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LEU 49 + HB3 LEU 69 OK 76 85 90 100 4.2-7.2 ~11049=48, ~11048=46...(30) HG LEU 42 + HB3 LEU 69 OK 45 60 75 100 4.8-8.2 ~11039=61, ~11066=60...(40) HB3 LEU 42 - HB3 LEU 69 poor 15 60 25 - 4.9-9.6 HB2 LEU 53 - HB3 LEU 69 far 0 99 0 - 8.5-14.2 Violated in 0 structures by 0.00 A. Peak 2196 from aliabs.peaks (1.01, 2.16, 40.44 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + HB3 LEU 69 OK 100 100 100 100 2.1-3.2 3.2=100 QG2 VAL 118 - HB3 LEU 69 far 0 100 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 2197 from aliabs.peaks (0.87, 2.16, 40.44 ppm; 4.32 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 69 + HB3 LEU 69 OK 100 100 100 100 1.9-3.0 3.0=100 QD2 LEU 70 + HB3 LEU 69 OK 47 98 50 96 2.7-7.7 2268/4.4=41, 11099=30...(25) QD2 LEU 123 - HB3 LEU 69 far 14 90 15 - 5.0-9.8 QG2 ILE 32 - HB3 LEU 69 poor 13 65 20 - 5.0-9.4 QD2 LEU 48 - HB3 LEU 69 poor 9 60 35 44 4.5-8.3 10957/9443=19...(10) QG1 VAL 133 - HB3 LEU 69 far 0 65 0 - 6.8-9.8 QG2 VAL 20 - HB3 LEU 69 far 0 65 0 - 7.3-22.7 QG1 VAL 118 - HB3 LEU 69 far 0 65 0 - 7.7-13.9 Violated in 0 structures by 0.00 A. Peak 2198 from aliabs.peaks (8.46, 2.16, 40.44 ppm; 6.27 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 69 OK 100 100 100 100 2.8-4.3 4.4=100 H ASP 47 + HB3 LEU 69 OK 89 99 90 99 5.3-8.5 6547/9149=67...(15) H LEU 100 - HB3 LEU 69 far 0 76 0 - 9.3-12.5 H VAL 93 - HB3 LEU 69 far 0 63 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 2199 from aliabs.peaks (8.30, 1.51, 27.00 ppm; 6.80 A): 5 out of 7 assignments used, quality = 1.00: * H LEU 69 + HG LEU 69 OK 100 100 100 100 2.2-4.6 5.2=100 H LEU 49 + HG LEU 69 OK 79 100 85 93 5.1-8.7 5.0/11036=51...(12) H TYR 72 + HG LEU 69 OK 76 76 100 100 4.8-7.2 ~11084=72, ~9563=71...(24) H VAL 126 + HG LEU 69 OK 72 85 85 99 5.0-8.7 ~11052=86, ~11077=59...(14) H LEU 43 + HG LEU 69 OK 57 97 65 90 6.5-9.8 ~10944=39, ~10884=38...(13) H ASP 131 - HG LEU 69 poor 17 68 25 - 7.4-11.1 H LEU 96 - HG LEU 69 far 8 76 10 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 2200 from aliabs.peaks (4.35, 1.51, 27.00 ppm; 6.36 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 69 + HG LEU 69 OK 100 100 100 100 3.1-4.1 3.7=100 HA CYS 73 + HG LEU 69 OK 48 60 80 100 5.7-8.2 ~11084=70, ~9563=69...(19) HA ASP 47 + HG LEU 69 OK 38 97 40 98 6.5-9.6 ~2222=38, 2.9/2206=34...(16) HA CYS 125 - HG LEU 69 far 0 99 0 - 8.3-11.6 HA2 GLY 75 - HG LEU 69 far 0 76 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 2201 from aliabs.peaks (1.65, 1.51, 27.00 ppm; 4.09 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 69 + HG LEU 69 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 36 - HG LEU 69 far 0 96 0 - 6.4-12.5 HD3 LYS 36 - HG LEU 69 far 0 97 0 - 7.1-13.0 HG LEU 43 - HG LEU 69 far 0 99 0 - 7.6-11.8 HB2 LEU 123 - HG LEU 69 far 0 100 0 - 7.7-11.7 HD2 LYS 31 - HG LEU 69 far 0 100 0 - 8.9-19.5 HG LEU 62 - HG LEU 69 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 2202 from aliabs.peaks (2.16, 1.51, 27.00 ppm; 5.51 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + HG LEU 69 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLN 68 + HG LEU 69 OK 30 76 40 100 4.6-8.0 4.4/6928=46, ~11022=34...(22) HB2 GLU 97 - HG LEU 69 far 0 73 0 - 8.3-12.9 Violated in 0 structures by 0.00 A. Peak 2203 from aliabs.peaks (1.51, 1.51, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 69 + HG LEU 69 OK 100 100 - 100 Peak 2204 from aliabs.peaks (1.01, 1.51, 27.00 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + HG LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 118 - HG LEU 69 far 0 100 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 2205 from aliabs.peaks (0.87, 1.51, 27.00 ppm; 3.88 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 69 + HG LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 69 OK 47 98 55 87 1.6-7.9 2268/6943=31...(21) QD2 LEU 48 - HG LEU 69 far 6 60 10 - 4.6-9.2 QD2 LEU 123 - HG LEU 69 poor 6 90 25 26 4.0-9.2 11422/11036=10...(7) QG1 VAL 133 - HG LEU 69 far 0 65 0 - 5.7-8.9 QG2 ILE 32 - HG LEU 69 far 0 65 0 - 6.9-9.9 QG1 VAL 118 - HG LEU 69 far 0 65 0 - 7.8-11.8 QG2 VAL 20 - HG LEU 69 far 0 65 0 - 8.2-23.2 QD2 LEU 98 - HG LEU 69 far 0 90 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 2207 from aliabs.peaks (8.30, 1.01, 23.36 ppm; 4.10 A): 4 out of 9 assignments used, quality = 1.00: * H LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.9-4.3 4.3=87, 2.9/2208=71...(19) H TYR 72 + QD1 LEU 69 OK 75 76 100 99 4.0-5.0 6973/2208=44...(23) H LEU 43 + QD1 LEU 69 OK 42 97 45 96 4.2-9.1 6504/11039=48...(17) H VAL 126 + QD1 LEU 69 OK 35 85 45 91 4.2-7.4 3.7/11069=47, ~11052=36...(17) H LEU 49 - QD1 LEU 69 far 10 100 10 - 4.7-7.8 H ASP 131 - QD1 LEU 69 far 0 68 0 - 5.7-9.2 H LEU 96 - QD1 LEU 69 far 0 76 0 - 5.9-10.8 H GLU 40 - QD1 LEU 69 far 0 97 0 - 6.9-12.0 H SER 99 - QD1 LEU 69 far 0 99 0 - 7.3-12.9 Violated in 0 structures by 0.00 A. Peak 2208 from aliabs.peaks (4.35, 1.01, 23.36 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 69 + QD1 LEU 69 OK 100 100 100 100 1.4-3.8 2173=89, 9100/11066=38...(24) HA CYS 73 + QD1 LEU 69 OK 39 60 80 81 3.9-6.7 2.9/11084=32...(17) HA ASP 47 - QD1 LEU 69 far 0 97 0 - 5.8-9.2 HA CYS 125 - QD1 LEU 69 far 0 99 0 - 6.5-9.5 HA2 GLY 75 - QD1 LEU 69 far 0 76 0 - 8.0-9.5 HA GLN 134 - QD1 LEU 69 far 0 100 0 - 8.4-12.6 Violated in 1 structures by 0.01 A. Peak 2209 from aliabs.peaks (1.65, 1.01, 23.36 ppm; 3.81 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.0-3.2 3.2=100 HD3 LYS 36 - QD1 LEU 69 far 10 97 10 - 4.4-11.9 HD2 LYS 36 - QD1 LEU 69 far 10 96 10 - 3.4-11.0 HG LEU 43 - QD1 LEU 69 far 5 99 5 - 5.3-10.1 HB2 LEU 123 - QD1 LEU 69 far 0 100 0 - 6.3-10.2 HD3 LYS 26 - QD1 LEU 69 far 0 96 0 - 7.4-18.9 HD2 LYS 31 - QD1 LEU 69 far 0 100 0 - 7.9-15.6 HD3 LYS 31 - QD1 LEU 69 far 0 99 0 - 8.4-16.2 HG LEU 62 - QD1 LEU 69 far 0 100 0 - 8.6-11.6 HD2 LYS 26 - QD1 LEU 69 far 0 98 0 - 8.6-17.7 HD2 LYS 39 - QD1 LEU 69 far 0 60 0 - 8.7-13.7 QB ALA 88 - QD1 LEU 69 far 0 95 0 - 8.8-11.7 HD3 LYS 95 - QD1 LEU 69 far 0 98 0 - 9.0-14.5 HB2 LEU 98 - QD1 LEU 69 far 0 100 0 - 9.7-15.8 HG LEU 119 - QD1 LEU 69 far 0 63 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 2210 from aliabs.peaks (2.16, 1.01, 23.36 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.1-3.2 3.2=100 HB3 GLN 68 - QD1 LEU 69 far 11 76 15 - 3.9-7.4 HB2 GLU 97 - QD1 LEU 69 far 0 73 0 - 5.9-11.2 Violated in 0 structures by 0.00 A. Peak 2211 from aliabs.peaks (1.51, 1.01, 23.36 ppm; 3.27 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 42 + QD1 LEU 69 OK 50 60 85 98 1.8-6.8 2.1/11039=62...(32) HB3 LEU 42 + QD1 LEU 69 OK 28 60 50 95 1.9-7.0 3.1/11039=47...(27) HB2 LEU 49 - QD1 LEU 69 far 8 85 10 - 4.1-7.1 HB2 LEU 53 - QD1 LEU 69 far 0 99 0 - 7.7-12.4 Violated in 0 structures by 0.00 A. Peak 2212 from aliabs.peaks (1.01, 1.01, 23.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + QD1 LEU 69 OK 100 100 - 100 Peak 2213 from aliabs.peaks (0.87, 1.01, 23.36 ppm; 2.78 A): 2 out of 12 assignments used, quality = 1.00: * QD2 LEU 69 + QD1 LEU 69 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 70 + QD1 LEU 69 OK 30 98 50 62 1.6-7.2 2269/11057=14...(13) QG1 VAL 133 - QD1 LEU 69 far 7 65 10 - 4.1-7.2 QD2 LEU 123 - QD1 LEU 69 far 0 90 0 - 4.4-7.4 QG2 ILE 32 - QD1 LEU 69 far 0 65 0 - 4.6-9.3 QD2 LEU 48 - QD1 LEU 69 far 0 60 0 - 4.8-7.4 QG1 VAL 118 - QD1 LEU 69 far 0 65 0 - 6.0-9.8 QD2 LEU 98 - QD1 LEU 69 far 0 90 0 - 7.0-11.5 QG2 VAL 20 - QD1 LEU 69 far 0 65 0 - 8.0-20.4 QD1 LEU 98 - QD1 LEU 69 far 0 99 0 - 8.9-13.3 QG2 VAL 57 - QD1 LEU 69 far 0 98 0 - 9.0-11.6 QD2 LEU 22 - QD1 LEU 69 far 0 71 0 - 10.0-20.0 Violated in 0 structures by 0.00 A. Peak 2214 from aliabs.peaks (8.46, 1.01, 23.36 ppm; 4.32 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 69 OK 100 100 100 100 2.1-4.5 6944=72, 6941/3.2=69...(26) H ASP 47 + QD1 LEU 69 OK 68 99 70 98 4.7-8.0 3.7/11046=67...(17) H LEU 100 - QD1 LEU 69 far 0 76 0 - 5.9-11.4 H VAL 93 - QD1 LEU 69 far 0 63 0 - 6.4-10.5 H VAL 132 - QD1 LEU 69 far 0 99 0 - 6.8-10.1 Violated in 1 structures by 0.00 A. Peak 2215 from aliabs.peaks (8.30, 0.87, 27.95 ppm; 4.27 A): 5 out of 9 assignments used, quality = 1.00: * H LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.2-4.2 4.9=65, ~2208=45...(21) H LEU 49 + QD2 LEU 69 OK 65 100 70 93 3.0-7.1 11703/11044=43...(13) H VAL 126 + QD2 LEU 69 OK 44 85 60 87 4.4-8.0 2.9/11052=62, ~11059=16...(18) H LEU 43 + QD2 LEU 69 OK 42 97 50 87 4.5-8.4 6504/11042=44...(16) H TYR 72 + QD2 LEU 69 OK 30 76 40 99 3.5-6.3 6973/3.9=43, 9522/2.1=39...(24) H ASP 131 - QD2 LEU 69 far 3 68 5 - 5.3-9.0 H LEU 96 - QD2 LEU 69 far 0 76 0 - 6.8-10.0 H GLU 40 - QD2 LEU 69 far 0 97 0 - 7.9-12.3 H SER 99 - QD2 LEU 69 far 0 99 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 2216 from aliabs.peaks (4.35, 0.87, 27.95 ppm; 4.22 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 69 + QD2 LEU 69 OK 100 100 100 100 1.8-4.1 3.9=100 HA CYS 73 - QD2 LEU 69 poor 18 60 30 - 3.7-8.2 HA ASP 47 - QD2 LEU 69 far 14 97 15 - 5.1-7.5 HA CYS 125 - QD2 LEU 69 far 0 99 0 - 7.0-9.9 HA2 GLY 75 - QD2 LEU 69 far 0 76 0 - 7.5-11.2 HA GLN 134 - QD2 LEU 69 far 0 100 0 - 8.3-12.7 HA ASN 59 - QD2 LEU 69 far 0 93 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 2217 from aliabs.peaks (1.65, 0.87, 27.95 ppm; 3.91 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.0-3.2 3.0=100 HB2 LEU 123 - QD2 LEU 69 far 0 100 0 - 5.5-10.8 HD2 LYS 36 - QD2 LEU 69 far 0 96 0 - 5.7-11.5 HG LEU 43 - QD2 LEU 69 far 0 99 0 - 6.0-9.2 HD3 LYS 36 - QD2 LEU 69 far 0 97 0 - 6.2-11.8 HD2 LYS 31 - QD2 LEU 69 far 0 100 0 - 6.8-15.7 HG LEU 62 - QD2 LEU 69 far 0 100 0 - 7.1-12.1 HD3 LYS 26 - QD2 LEU 69 far 0 96 0 - 7.7-19.4 HD2 LYS 26 - QD2 LEU 69 far 0 98 0 - 7.9-19.7 HD3 LYS 31 - QD2 LEU 69 far 0 99 0 - 8.1-14.7 HG LEU 119 - QD2 LEU 69 far 0 63 0 - 8.5-15.1 QB ALA 88 - QD2 LEU 69 far 0 95 0 - 8.7-12.4 HD3 LYS 24 - QD2 LEU 69 far 0 100 0 - 8.8-20.1 HD2 LYS 95 - QD2 LEU 69 far 0 100 0 - 8.9-15.0 HD2 LYS 39 - QD2 LEU 69 far 0 60 0 - 9.1-14.4 HD3 LYS 95 - QD2 LEU 69 far 0 98 0 - 9.6-14.3 HD2 LYS 24 - QD2 LEU 69 far 0 97 0 - 10.0-21.0 Violated in 0 structures by 0.00 A. Peak 2218 from aliabs.peaks (2.16, 0.87, 27.95 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 69 + QD2 LEU 69 OK 100 100 100 100 1.9-3.0 3.0=100 HB3 GLN 68 + QD2 LEU 69 OK 28 76 40 92 4.2-7.2 4.4/6930=22...(25) HB2 GLU 97 - QD2 LEU 69 far 0 73 0 - 7.3-10.9 Violated in 0 structures by 0.00 A. Peak 2219 from aliabs.peaks (1.51, 0.87, 27.95 ppm; 3.36 A): 4 out of 5 assignments used, quality = 1.00: * HG LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 49 + QD2 LEU 69 OK 51 85 65 93 2.4-7.4 3.2/11061=37...(28) HG LEU 42 + QD2 LEU 69 OK 38 60 65 99 1.8-8.6 2.1/11042=43, ~11039=36...(32) HB3 LEU 42 + QD2 LEU 69 OK 21 60 35 99 3.4-7.9 3.1/11042=36, ~11039=24...(38) HB2 LEU 53 - QD2 LEU 69 far 0 99 0 - 6.0-13.0 Violated in 0 structures by 0.00 A. Peak 2220 from aliabs.peaks (1.01, 0.87, 27.95 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 69 + QD2 LEU 69 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 118 - QD2 LEU 69 far 0 100 0 - 7.3-12.6 Violated in 0 structures by 0.00 A. Peak 2221 from aliabs.peaks (0.87, 0.87, 27.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 69 + QD2 LEU 69 OK 100 100 - 100 Peak 2222 from aliabs.peaks (8.46, 0.87, 27.95 ppm; 4.52 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 69 OK 100 100 100 100 3.5-4.7 6941/3.0=77, 6943/2.1=72...(22) H ASP 47 + QD2 LEU 69 OK 98 99 100 98 4.1-6.0 6568/11060=64...(16) H VAL 93 - QD2 LEU 69 far 0 63 0 - 6.5-10.6 H VAL 132 - QD2 LEU 69 far 0 99 0 - 6.9-10.7 H LEU 100 - QD2 LEU 69 far 0 76 0 - 7.1-10.9 Violated in 0 structures by 0.00 A. Peak 2223 from aliabs.peaks (8.46, 3.88, 58.34 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 100 100 2.7-2.8 2.9=100 H VAL 93 - HA LEU 70 far 0 63 0 - 6.9-8.3 H LEU 100 - HA LEU 70 far 0 76 0 - 7.5-8.7 H ASP 47 - HA LEU 70 far 0 99 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 2224 from aliabs.peaks (3.88, 3.88, 58.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HA LEU 70 OK 100 100 - 100 Peak 2225 from aliabs.peaks (1.71, 3.88, 58.34 ppm; 4.16 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 70 + HA LEU 70 OK 98 98 100 100 2.3-3.0 3.0=100 HG LEU 98 - HA LEU 70 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 2226 from aliabs.peaks (1.71, 3.88, 58.34 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 70 + HA LEU 70 OK 98 98 100 100 2.2-3.0 3.0=100 HG LEU 98 - HA LEU 70 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 2227 from aliabs.peaks (1.61, 3.88, 58.34 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 70 + HA LEU 70 OK 100 100 100 100 2.3-3.9 3.7=100 HB2 LEU 122 - HA LEU 70 far 0 100 0 - 6.3-10.2 HG LEU 122 - HA LEU 70 far 0 99 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 2228 from aliabs.peaks (0.81, 3.88, 58.34 ppm; 3.86 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 70 + HA LEU 70 OK 100 100 100 100 1.9-3.9 3.8=100 QG2 ILE 129 + HA LEU 70 OK 33 96 40 85 4.9-6.5 3.0/11709=46...(15) QD2 LEU 49 - HA LEU 70 far 14 92 15 - 5.1-7.5 QD2 LEU 122 - HA LEU 70 poor 12 68 35 49 4.7-8.4 2273/2269=14, 2240/3.0=9...(14) QD1 LEU 122 - HA LEU 70 far 10 99 10 - 4.4-8.4 QG2 ILE 32 - HA LEU 70 far 0 65 0 - 6.0-11.9 QD1 LEU 53 - HA LEU 70 far 0 85 0 - 7.1-13.0 QG1 VAL 133 - HA LEU 70 far 0 65 0 - 7.5-9.0 QG2 ILE 80 - HA LEU 70 far 0 100 0 - 8.8-13.0 Violated in 0 structures by 0.00 A. Peak 2229 from aliabs.peaks (0.86, 3.88, 58.34 ppm; 3.47 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 100 100 100 100 1.8-3.9 2269=100, 2.1/2261=61...(20) QD2 LEU 69 + HA LEU 70 OK 66 98 70 96 3.3-5.8 11054=31, 2.1/11057=30...(24) QG2 ILE 32 - HA LEU 70 far 0 87 0 - 6.0-11.9 QD2 LEU 123 - HA LEU 70 far 0 71 0 - 6.8-10.2 QD2 LEU 98 - HA LEU 70 far 0 71 0 - 7.1-9.2 QG1 VAL 133 - HA LEU 70 far 0 87 0 - 7.5-9.0 QD1 LEU 98 - HA LEU 70 far 0 100 0 - 9.6-11.1 Violated in 6 structures by 0.04 A. Peak 2230 from aliabs.peaks (8.13, 3.88, 58.34 ppm; 6.42 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HA LEU 70 OK 100 100 100 100 3.4-3.6 3.6=100 H ILE 32 - HA LEU 70 far 0 99 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 2231 from aliabs.peaks (8.85, 3.88, 58.34 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HA LEU 70 OK 100 100 100 100 3.0-3.9 6989=100, 3.8/2233=97...(25) Violated in 0 structures by 0.00 A. Peak 2232 from aliabs.peaks (2.74, 3.88, 58.34 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 73 + HA LEU 70 OK 100 100 100 100 1.9-5.0 1.8/2233=81...(21) HB2 CYS 125 - HA LEU 70 far 5 99 5 - 5.8-9.1 HB2 TYR 76 - HA LEU 70 far 0 71 0 - 7.2-10.1 Violated in 8 structures by 0.13 A. Peak 2233 from aliabs.peaks (3.31, 3.88, 58.34 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 73 + HA LEU 70 OK 100 100 100 100 2.5-5.0 1.8/2232=73, 2330=56...(21) Violated in 8 structures by 0.18 A. Peak 2234 from aliabs.peaks (4.21, 1.71, 41.52 ppm; 4.77 A): 2 out of 10 assignments used, quality = 1.00: * HA HIS 67 + HB2 LEU 70 OK 100 100 100 100 2.2-4.9 9462/3.2=80...(26) HA HIS 67 + HB3 LEU 70 OK 94 94 100 100 2.1-4.9 9462/3.2=80...(26) HA ALA 29 - HB3 LEU 70 far 0 73 0 - 6.8-14.2 HA GLU 30 - HB2 LEU 70 far 0 99 0 - 6.9-16.3 HA ALA 34 - HB3 LEU 70 far 0 92 0 - 7.6-15.9 HA GLU 30 - HB3 LEU 70 far 0 91 0 - 7.7-17.9 HA ALA 29 - HB2 LEU 70 far 0 83 0 - 8.2-15.2 HA ALA 34 - HB2 LEU 70 far 0 99 0 - 8.3-16.0 HA SER 99 - HB2 LEU 70 far 0 89 0 - 9.1-11.8 HA SER 99 - HB3 LEU 70 far 0 79 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 2235 from aliabs.peaks (8.46, 1.71, 41.52 ppm; 4.64 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.6 3.2=100 H LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.1-3.6 3.2=100 H LEU 100 - HB2 LEU 70 far 8 76 10 - 5.6-8.2 H LEU 100 - HB3 LEU 70 far 0 66 0 - 6.5-7.8 H VAL 93 - HB3 LEU 70 far 0 54 0 - 7.2-10.4 H VAL 93 - HB2 LEU 70 far 0 63 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 2236 from aliabs.peaks (3.88, 1.71, 41.52 ppm; 4.72 A): 2 out of 11 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.3-3.0 3.0=100 HA ALA 46 - HB2 LEU 70 far 0 97 0 - 6.7-10.8 HA LEU 123 - HB2 LEU 70 far 0 57 0 - 7.0-11.2 HA ALA 46 - HB3 LEU 70 far 0 88 0 - 7.4-10.9 HA LEU 123 - HB3 LEU 70 far 0 49 0 - 7.5-11.2 HA3 GLY 75 - HB2 LEU 70 far 0 96 0 - 8.3-11.5 HB2 SER 94 - HB2 LEU 70 far 0 87 0 - 8.6-12.3 HA3 GLY 75 - HB3 LEU 70 far 0 87 0 - 8.8-11.5 HB2 SER 94 - HB3 LEU 70 far 0 77 0 - 8.9-12.1 HB2 SER 33 - HB2 LEU 70 far 0 68 0 - 9.4-17.3 Violated in 0 structures by 0.00 A. Peak 2237 from aliabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 HB3 LEU 70 + HB3 LEU 70 OK 90 90 - 100 Peak 2238 from aliabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 70 + HB2 LEU 70 OK 98 98 - 100 HB3 LEU 70 + HB3 LEU 70 OK 94 94 - 100 Reference assignment not found: HB3 LEU 70 - HB2 LEU 70 Peak 2239 from aliabs.peaks (1.61, 1.71, 41.52 ppm; 4.74 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 70 + HB3 LEU 70 OK 94 94 100 100 2.3-3.0 3.0=100 HB2 LEU 122 - HB2 LEU 70 far 10 100 10 - 4.3-9.8 HG LEU 122 - HB2 LEU 70 far 10 99 10 - 5.4-9.6 HG LEU 122 - HB3 LEU 70 far 9 92 10 - 5.9-9.6 HB2 LEU 122 - HB3 LEU 70 far 5 94 5 - 5.0-10.0 Violated in 0 structures by 0.00 A. Peak 2240 from aliabs.peaks (0.81, 1.71, 41.52 ppm; 3.92 A): 4 out of 17 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 QD1 LEU 70 + HB3 LEU 70 OK 94 94 100 100 1.9-3.2 3.2=100 QD2 LEU 122 + HB2 LEU 70 OK 40 68 65 91 3.5-7.5 2273/3.2=14, ~2272=11...(50) QD1 LEU 122 + HB2 LEU 70 OK 23 99 25 92 3.9-8.2 2273/3.2=15, ~2272=11...(51) QD1 LEU 122 - HB3 LEU 70 poor 18 92 20 - 4.2-8.3 QD2 LEU 49 - HB2 LEU 70 poor 18 92 20 - 4.5-8.5 QD2 LEU 122 - HB3 LEU 70 poor 18 59 30 - 4.5-7.4 QD2 LEU 49 - HB3 LEU 70 far 8 82 10 - 5.2-8.2 QG2 ILE 32 - HB2 LEU 70 far 3 65 5 - 5.1-12.8 QG2 ILE 32 - HB3 LEU 70 far 3 57 5 - 5.0-12.6 QD1 LEU 53 - HB2 LEU 70 far 0 85 0 - 6.0-14.3 QG2 ILE 129 - HB3 LEU 70 far 0 87 0 - 6.3-8.9 QG2 ILE 129 - HB2 LEU 70 far 0 96 0 - 6.3-8.9 QD1 LEU 53 - HB3 LEU 70 far 0 75 0 - 6.8-14.4 QG1 VAL 133 - HB2 LEU 70 far 0 65 0 - 9.1-11.3 QD2 LEU 119 - HB2 LEU 70 far 0 76 0 - 9.2-12.9 QG1 VAL 133 - HB3 LEU 70 far 0 57 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2241 from aliabs.peaks (0.86, 1.71, 41.52 ppm; 3.93 A): 3 out of 14 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 70 + HB3 LEU 70 OK 94 94 100 100 1.9-3.2 3.2=100 QD2 LEU 69 + HB2 LEU 70 OK 29 98 30 98 4.6-7.2 ~6943=28, ~6944=27...(30) QD2 LEU 69 - HB3 LEU 70 poor 18 90 20 - 5.2-7.0 QG2 ILE 32 - HB2 LEU 70 far 4 87 5 - 5.1-12.8 QG2 ILE 32 - HB3 LEU 70 far 4 77 5 - 5.0-12.6 QD2 LEU 98 - HB2 LEU 70 far 0 71 0 - 5.8-9.1 QD2 LEU 123 - HB2 LEU 70 far 0 71 0 - 6.1-10.4 QD2 LEU 98 - HB3 LEU 70 far 0 62 0 - 6.9-8.9 QD2 LEU 123 - HB3 LEU 70 far 0 62 0 - 7.1-10.9 QD1 LEU 98 - HB3 LEU 70 far 0 94 0 - 8.3-11.0 QD1 LEU 98 - HB2 LEU 70 far 0 100 0 - 8.4-11.3 QG1 VAL 133 - HB2 LEU 70 far 0 87 0 - 9.1-11.3 QG1 VAL 133 - HB3 LEU 70 far 0 77 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2242 from aliabs.peaks (8.13, 1.71, 41.52 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 71 + HB2 LEU 70 OK 100 100 100 100 2.4-4.3 4.3=100 H ASP 71 + HB3 LEU 70 OK 94 94 100 100 2.4-4.3 4.3=100 H ILE 32 - HB2 LEU 70 far 0 99 0 - 8.6-15.0 H ILE 32 - HB3 LEU 70 far 0 92 0 - 8.7-15.9 H ASN 121 - HB2 LEU 70 far 0 95 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 2243 from aliabs.peaks (4.21, 1.71, 41.52 ppm; 4.77 A): 2 out of 10 assignments used, quality = 1.00: * HA HIS 67 + HB3 LEU 70 OK 100 100 100 100 2.1-4.9 9462/3.2=80...(26) HA HIS 67 + HB2 LEU 70 OK 94 94 100 100 2.2-4.9 9462/3.2=80...(26) HA ALA 29 - HB3 LEU 70 far 0 83 0 - 6.8-14.2 HA GLU 30 - HB2 LEU 70 far 0 91 0 - 6.9-16.3 HA ALA 34 - HB3 LEU 70 far 0 99 0 - 7.6-15.9 HA GLU 30 - HB3 LEU 70 far 0 99 0 - 7.7-17.9 HA ALA 29 - HB2 LEU 70 far 0 73 0 - 8.2-15.2 HA ALA 34 - HB2 LEU 70 far 0 92 0 - 8.3-16.0 HA SER 99 - HB2 LEU 70 far 0 79 0 - 9.1-11.8 HA SER 99 - HB3 LEU 70 far 0 89 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 2244 from aliabs.peaks (8.46, 1.71, 41.52 ppm; 4.64 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.1-3.6 3.2=100 H LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.0-3.6 3.2=100 H LEU 100 - HB2 LEU 70 far 7 66 10 - 5.6-8.2 H LEU 100 - HB3 LEU 70 far 0 76 0 - 6.5-7.8 H VAL 93 - HB3 LEU 70 far 0 63 0 - 7.2-10.4 H VAL 93 - HB2 LEU 70 far 0 54 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 2245 from aliabs.peaks (3.88, 1.71, 41.52 ppm; 4.72 A): 2 out of 11 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.2-3.0 3.0=100 HA ALA 46 - HB2 LEU 70 far 0 88 0 - 6.7-10.8 HA LEU 123 - HB2 LEU 70 far 0 49 0 - 7.0-11.2 HA ALA 46 - HB3 LEU 70 far 0 97 0 - 7.4-10.9 HA LEU 123 - HB3 LEU 70 far 0 57 0 - 7.5-11.2 HA3 GLY 75 - HB2 LEU 70 far 0 87 0 - 8.3-11.5 HB2 SER 94 - HB2 LEU 70 far 0 77 0 - 8.6-12.3 HA3 GLY 75 - HB3 LEU 70 far 0 96 0 - 8.8-11.5 HB2 SER 94 - HB3 LEU 70 far 0 87 0 - 8.9-12.1 HB2 SER 33 - HB2 LEU 70 far 0 59 0 - 9.4-17.3 Violated in 0 structures by 0.00 A. Peak 2246 from aliabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 70 + HB3 LEU 70 OK 98 98 - 100 HB2 LEU 70 + HB2 LEU 70 OK 94 94 - 100 Reference assignment not found: HB2 LEU 70 - HB3 LEU 70 Peak 2247 from aliabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 HB2 LEU 70 + HB2 LEU 70 OK 90 90 - 100 Peak 2248 from aliabs.peaks (1.61, 1.71, 41.52 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.2-3.0 3.0=100 HB2 LEU 122 - HB2 LEU 70 far 9 94 10 - 4.3-9.8 HB2 LEU 122 - HB3 LEU 70 far 5 100 5 - 5.0-10.0 HG LEU 122 - HB2 LEU 70 far 5 92 5 - 5.4-9.6 HG LEU 122 - HB3 LEU 70 far 0 99 0 - 5.9-9.6 Violated in 0 structures by 0.00 A. Peak 2249 from aliabs.peaks (0.81, 1.71, 41.52 ppm; 3.92 A): 4 out of 17 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.0-3.2 3.2=100 QD2 LEU 122 + HB2 LEU 70 OK 35 59 65 90 3.5-7.5 2273/3.2=14, ~2272=11...(49) QD1 LEU 122 + HB2 LEU 70 OK 21 92 25 92 3.9-8.2 2273/3.2=15, ~2272=11...(50) QD1 LEU 122 - HB3 LEU 70 poor 20 99 20 - 4.2-8.3 QD2 LEU 122 - HB3 LEU 70 poor 18 68 30 90 4.5-7.4 2273/3.2=14, ~2272=11...(48) QD2 LEU 49 - HB2 LEU 70 poor 16 82 20 - 4.5-8.5 QD2 LEU 49 - HB3 LEU 70 far 9 92 10 - 5.2-8.2 QG2 ILE 32 - HB3 LEU 70 far 3 65 5 - 5.0-12.6 QG2 ILE 32 - HB2 LEU 70 far 3 57 5 - 5.1-12.8 QD1 LEU 53 - HB2 LEU 70 far 0 75 0 - 6.0-14.3 QG2 ILE 129 - HB3 LEU 70 far 0 96 0 - 6.3-8.9 QG2 ILE 129 - HB2 LEU 70 far 0 87 0 - 6.3-8.9 QD1 LEU 53 - HB3 LEU 70 far 0 85 0 - 6.8-14.4 QG1 VAL 133 - HB2 LEU 70 far 0 57 0 - 9.1-11.3 QD2 LEU 119 - HB2 LEU 70 far 0 66 0 - 9.2-12.9 QG1 VAL 133 - HB3 LEU 70 far 0 65 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2250 from aliabs.peaks (0.86, 1.71, 41.52 ppm; 3.93 A): 3 out of 14 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 QD2 LEU 70 + HB2 LEU 70 OK 94 94 100 100 2.0-3.2 3.2=100 QD2 LEU 69 + HB2 LEU 70 OK 26 90 30 98 4.6-7.2 ~6943=28, ~6944=27...(30) QD2 LEU 69 - HB3 LEU 70 poor 20 98 20 - 5.2-7.0 QG2 ILE 32 - HB3 LEU 70 far 4 87 5 - 5.0-12.6 QG2 ILE 32 - HB2 LEU 70 far 4 77 5 - 5.1-12.8 QD2 LEU 98 - HB2 LEU 70 far 0 62 0 - 5.8-9.1 QD2 LEU 123 - HB2 LEU 70 far 0 62 0 - 6.1-10.4 QD2 LEU 98 - HB3 LEU 70 far 0 71 0 - 6.9-8.9 QD2 LEU 123 - HB3 LEU 70 far 0 71 0 - 7.1-10.9 QD1 LEU 98 - HB3 LEU 70 far 0 100 0 - 8.3-11.0 QD1 LEU 98 - HB2 LEU 70 far 0 94 0 - 8.4-11.3 QG1 VAL 133 - HB2 LEU 70 far 0 77 0 - 9.1-11.3 QG1 VAL 133 - HB3 LEU 70 far 0 87 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2251 from aliabs.peaks (8.13, 1.71, 41.52 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 71 + HB3 LEU 70 OK 100 100 100 100 2.4-4.3 4.3=100 H ASP 71 + HB2 LEU 70 OK 94 94 100 100 2.4-4.3 4.3=100 H ILE 32 - HB2 LEU 70 far 0 92 0 - 8.6-15.0 H ILE 32 - HB3 LEU 70 far 0 99 0 - 8.7-15.9 H ASN 121 - HB2 LEU 70 far 0 85 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 2253 from aliabs.peaks (3.88, 1.61, 27.00 ppm; 5.14 A): 3 out of 23 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-3.9 3.7=100 HA2 GLY 114 + HG LEU 119 OK 63 92 70 98 3.9-10.1 ~10160=61, ~10165=54...(10) HA LEU 123 + HG LEU 122 OK 51 52 100 98 2.7-5.1 ~3899=41, ~3907=32...(24) HD2 PRO 117 - HG LEU 119 poor 18 60 30 - 5.8-7.6 HB2 SER 60 - HG LEU 22 far 0 50 0 - 6.7-31.8 HA LEU 70 - HG LEU 122 far 0 97 0 - 7.0-9.0 HA LEU 123 - HG LEU 119 far 0 48 0 - 7.1-9.7 HA LEU 123 - HG LEU 70 far 0 57 0 - 7.2-11.1 HB3 SER 60 - HG3 ARG 23 far 0 58 0 - 7.3-29.0 HB2 SER 33 - HG3 ARG 23 far 0 61 0 - 7.5-26.2 HA ALA 46 - HG LEU 122 far 0 92 0 - 7.5-10.6 HA ALA 46 - HG LEU 70 far 0 97 0 - 7.6-12.9 HB3 SER 60 - HG LEU 22 far 0 50 0 - 7.6-32.9 HB2 SER 60 - HG3 ARG 23 far 0 58 0 - 7.9-30.6 HB3 SER 50 - HG LEU 122 far 0 97 0 - 8.2-12.9 HB2 SER 94 - HG LEU 70 far 0 87 0 - 8.2-12.4 HA3 GLY 75 - HG LEU 70 far 0 96 0 - 8.4-12.4 HB2 SER 33 - HG LEU 22 far 0 52 0 - 8.4-28.3 HB2 SER 60 - HG LEU 119 far 0 55 0 - 8.8-16.5 HB3 SER 60 - HG LEU 119 far 0 55 0 - 8.9-16.6 HA2 GLY 114 - HG LEU 122 far 0 97 0 - 9.0-16.0 HD2 PRO 117 - HG LEU 122 far 0 65 0 - 9.3-11.8 HA3 GLY 2 - HG LEU 22 far 0 72 0 - 9.9-46.4 Violated in 0 structures by 0.00 A. Peak 2254 from aliabs.peaks (1.71, 1.61, 27.00 ppm; 4.74 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 70 + HG LEU 70 OK 98 98 100 100 2.3-3.0 3.0=100 HB2 LEU 70 - HG LEU 122 far 10 97 10 - 5.4-9.6 HB3 LEU 70 - HG LEU 122 far 9 94 10 - 5.9-9.6 HG LEU 48 - HG LEU 22 far 0 83 0 - 6.9-29.4 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.5-11.9 HG LEU 48 - HG3 ARG 23 far 0 93 0 - 7.5-28.2 HG LEU 98 - HG LEU 122 far 0 96 0 - 7.8-12.3 HG LEU 98 - HG3 ARG 23 far 0 95 0 - 8.5-37.8 HG LEU 48 - HG LEU 70 far 0 99 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 2255 from aliabs.peaks (1.71, 1.61, 27.00 ppm; 4.42 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 70 + HG LEU 70 OK 98 98 100 100 2.2-3.0 3.0=100 HB2 LYS 19 - HG LEU 22 poor 14 45 30 - 4.8-10.9 HB2 LEU 70 - HG LEU 122 far 9 94 10 - 5.4-9.6 HB2 LYS 19 - HG3 ARG 23 far 3 53 5 - 3.7-12.6 HB3 LEU 70 - HG LEU 122 far 0 97 0 - 5.9-9.6 HB2 LYS 31 - HG3 ARG 23 far 0 53 0 - 6.2-21.9 HG LEU 48 - HG LEU 22 far 0 86 0 - 6.9-29.4 HG LEU 98 - HG LEU 70 far 0 100 0 - 7.5-11.9 HG LEU 48 - HG3 ARG 23 far 0 95 0 - 7.5-28.2 HG LEU 98 - HG LEU 122 far 0 96 0 - 7.8-12.3 HB2 LYS 31 - HG LEU 22 far 0 45 0 - 8.0-23.5 HG LEU 98 - HG3 ARG 23 far 0 94 0 - 8.5-37.8 HG LEU 48 - HG LEU 70 far 0 100 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 2256 from aliabs.peaks (1.61, 1.61, 27.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG LEU 70 + HG LEU 70 OK 100 100 - 100 HG LEU 122 + HG LEU 122 OK 95 95 - 100 HG3 ARG 23 + HG3 ARG 23 OK 93 93 - 100 HG LEU 119 + HG LEU 119 OK 87 87 - 100 HG LEU 22 + HG LEU 22 OK 82 82 - 100 Peak 2257 from aliabs.peaks (0.81, 1.61, 27.00 ppm; 2.97 A): 7 out of 28 assignments used, quality = 1.00: * QD1 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 122 + HG LEU 122 OK 96 96 100 100 2.1-2.1 2.1=100 QD2 LEU 119 + HG LEU 119 OK 64 64 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 122 OK 63 63 100 100 2.1-2.1 2.1=100 QD2 LEU 22 + HG LEU 22 OK 45 45 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 122 OK 44 97 60 76 2.5-8.1 2.1/2272=17, 2264=16...(28) QD2 LEU 122 + HG LEU 70 OK 26 68 50 76 3.2-8.5 2273/2.1=13, ~2272=9...(35) QD1 LEU 122 - HG LEU 70 far 15 99 15 - 3.4-8.1 QD1 LEU 53 - HG LEU 119 poor 15 73 20 - 3.3-9.7 QD1 LEU 122 - HG LEU 119 poor 12 90 30 45 3.9-9.0 11702/3.7=14, 3770/2.9=8...(12) QD2 LEU 49 - HG LEU 122 far 9 86 10 - 3.9-7.2 QD2 LEU 122 - HG LEU 119 far 9 57 15 - 3.6-8.2 QD2 LEU 22 - HG3 ARG 23 far 5 53 10 - 2.0-7.9 QD1 LEU 53 - HG LEU 122 lone 4 79 30 18 2.0-9.1 ~1667=2, ~1667=2...(11) QG2 ILE 32 - HG3 ARG 23 far 0 58 0 - 4.6-18.9 QD2 LEU 49 - HG LEU 70 far 0 92 0 - 4.7-9.7 QD2 LEU 119 - HG LEU 122 far 0 70 0 - 5.1-7.5 QD1 LEU 53 - HG LEU 70 far 0 85 0 - 6.5-13.5 QG2 ILE 32 - HG LEU 70 far 0 65 0 - 6.5-12.8 QG2 ILE 129 - HG LEU 70 far 0 96 0 - 6.6-8.9 QD2 LEU 49 - HG LEU 119 far 0 80 0 - 7.7-11.8 QD1 LEU 70 - HG LEU 119 far 0 92 0 - 8.4-12.7 QG2 ILE 32 - HG LEU 22 far 0 50 0 - 8.7-21.1 QD2 LEU 119 - HG LEU 70 far 0 76 0 - 9.0-13.3 QG2 ILE 129 - HG LEU 122 far 0 90 0 - 9.3-10.9 QG2 ILE 32 - HG LEU 122 far 0 60 0 - 9.4-15.7 QG1 VAL 133 - HG LEU 70 far 0 65 0 - 9.6-11.6 QG2 ILE 80 - HG LEU 70 far 0 100 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 2258 from aliabs.peaks (0.86, 1.61, 27.00 ppm; 4.46 A): 7 out of 29 assignments used, quality = 1.00: * QD2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 22 + HG LEU 22 OK 72 72 100 100 2.1-2.1 2.1=100 QD2 LEU 70 + HG LEU 122 OK 66 97 70 97 3.2-7.7 2272=32, 3173/3.0=19...(37) QD2 LEU 123 + HG LEU 122 OK 49 65 95 80 1.9-6.0 2266/2.1=16, 4.8/7745=16...(22) QD2 LEU 69 + HG LEU 70 OK 46 98 50 94 3.6-8.1 2229/3.7=28...(21) QD2 LEU 22 + HG3 ARG 23 OK 21 83 35 73 2.0-7.9 6200/5.0=36, 3.1/3783=13...(16) QD2 LEU 123 + HG LEU 119 OK 20 60 35 97 4.7-7.9 11636/3.7=15, ~3791=15...(39) QD2 LEU 69 - HG LEU 122 poor 19 94 20 - 5.2-9.6 QG2 VAL 57 - HG LEU 119 lone 9 92 60 16 4.6-10.9 9319/2001=6, 1806/2.1=3...(5) QG2 ILE 32 - HG3 ARG 23 far 8 79 10 - 4.6-18.9 QD2 LEU 98 - HG LEU 122 far 7 65 10 - 4.6-10.3 QD2 LEU 98 - HG LEU 70 far 4 71 5 - 5.5-8.9 QD2 LEU 123 - HG LEU 70 far 0 71 0 - 6.0-10.1 QG2 ILE 32 - HG LEU 70 far 0 87 0 - 6.5-12.8 QD1 LEU 98 - HG LEU 122 far 0 97 0 - 6.7-11.8 QG2 VAL 57 - HG LEU 122 far 0 97 0 - 7.1-9.9 QD1 LEU 98 - HG3 ARG 23 far 0 95 0 - 7.3-33.3 QD1 LEU 98 - HG LEU 70 far 0 100 0 - 8.0-10.9 QD2 LEU 98 - HG LEU 119 far 0 60 0 - 8.3-13.7 QD2 LEU 98 - HG3 ARG 23 far 0 63 0 - 8.4-31.0 QD2 LEU 69 - HG LEU 119 far 0 88 0 - 8.5-15.1 QD2 LEU 70 - HG LEU 119 far 0 92 0 - 8.6-12.3 QG2 ILE 32 - HG LEU 22 far 0 69 0 - 8.7-21.1 QG2 VAL 57 - HG LEU 22 far 0 86 0 - 8.9-26.3 QD1 LEU 98 - HG LEU 119 far 0 92 0 - 8.9-14.0 QD1 LEU 98 - HG LEU 22 far 0 86 0 - 9.2-35.5 QG2 ILE 32 - HG LEU 122 far 0 81 0 - 9.4-15.7 QG2 VAL 57 - HG3 ARG 23 far 0 96 0 - 9.5-26.3 QG1 VAL 133 - HG LEU 70 far 0 87 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2260 from aliabs.peaks (8.46, 0.81, 25.48 ppm; 3.90 A): 3 out of 9 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.3-4.2 4.3=73, 2.9/2261=63...(29) H LEU 100 + QD1 LEU 70 OK 62 76 90 91 3.4-6.8 4.9/9487=32, 2268/2.1=26...(28) H LEU 100 + QD1 LEU 122 OK 55 67 85 97 3.4-5.9 4.5/11702=22, 10026=21...(42) H LEU 70 - QD1 LEU 122 poor 19 95 30 65 4.4-8.2 11094/9487=18, 6950=12...(19) H VAL 93 - QD1 LEU 70 far 0 63 0 - 6.0-8.6 H VAL 93 - QD1 LEU 122 far 0 55 0 - 7.5-11.5 H ASP 47 - QD1 LEU 122 far 0 92 0 - 7.9-11.3 H ASP 47 - QD1 LEU 70 far 0 99 0 - 8.7-13.0 H VAL 132 - QD1 LEU 70 far 0 99 0 - 9.9-13.8 Violated in 1 structures by 0.00 A. Peak 2261 from aliabs.peaks (3.88, 0.81, 25.48 ppm; 3.65 A): 2 out of 17 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-3.9 3.8=86, 2269/2.1=81...(20) HA LEU 123 + QD1 LEU 122 OK 45 50 100 91 2.0-4.2 2.9/3899=32, ~3907=16...(27) HA LEU 70 - QD1 LEU 122 far 9 95 10 - 4.4-8.4 HA LEU 123 - QD1 LEU 70 far 6 57 10 - 4.3-9.8 HA ALA 46 - QD1 LEU 122 far 0 89 0 - 5.2-8.8 HA ALA 46 - QD1 LEU 70 far 0 97 0 - 5.8-10.6 HB3 SER 50 - QD1 LEU 122 far 0 95 0 - 6.3-10.5 HA3 GLY 75 - QD1 LEU 70 far 0 96 0 - 6.5-10.6 HA2 GLY 114 - QD1 LEU 122 far 0 95 0 - 6.7-13.3 HB2 SER 94 - QD1 LEU 70 far 0 87 0 - 6.8-9.4 HD2 PRO 117 - QD1 LEU 122 far 0 62 0 - 7.2-10.9 HB2 SER 60 - QD1 LEU 122 far 0 58 0 - 8.5-13.4 HB3 SER 50 - QD1 LEU 70 far 0 100 0 - 8.7-14.3 HB3 SER 60 - QD1 LEU 122 far 0 58 0 - 8.7-13.5 HB2 SER 94 - QD1 LEU 122 far 0 78 0 - 8.9-12.6 HA2 GLY 2 - QD1 LEU 122 far 0 83 0 - 9.3-57.8 HB2 SER 33 - QD1 LEU 70 far 0 68 0 - 9.6-16.4 Violated in 0 structures by 0.00 A. Peak 2262 from aliabs.peaks (1.71, 0.81, 25.48 ppm; 3.63 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 HB3 LEU 70 + QD1 LEU 70 OK 98 98 100 100 1.9-3.2 3.2=100 HB3 LEU 70 - QD1 LEU 122 poor 18 91 20 - 4.2-8.3 HB2 LEU 70 - QD1 LEU 122 far 14 95 15 - 3.9-8.2 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.2-10.2 HG LEU 98 - QD1 LEU 122 far 0 94 0 - 7.5-10.8 HG LEU 48 - QD1 LEU 122 far 0 92 0 - 7.8-13.4 HG LEU 48 - QD1 LEU 70 far 0 99 0 - 9.8-15.0 Violated in 0 structures by 0.00 A. Peak 2263 from aliabs.peaks (1.71, 0.81, 25.48 ppm; 3.64 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 HB2 LEU 70 + QD1 LEU 70 OK 98 98 100 100 2.0-3.2 3.2=100 HB3 LEU 70 - QD1 LEU 122 poor 19 95 20 - 4.2-8.3 HB2 LEU 70 - QD1 LEU 122 far 14 91 15 - 3.9-8.2 HG LEU 98 - QD1 LEU 70 far 0 100 0 - 6.2-10.2 HG LEU 98 - QD1 LEU 122 far 0 94 0 - 7.5-10.8 HG LEU 48 - QD1 LEU 122 far 0 95 0 - 7.8-13.4 HB2 LYS 31 - QD1 LEU 70 far 0 60 0 - 8.6-17.7 HG3 ARG 90 - QD1 LEU 70 far 0 76 0 - 9.6-12.1 HG LEU 48 - QD1 LEU 70 far 0 100 0 - 9.8-15.0 Violated in 0 structures by 0.00 A. Peak 2264 from aliabs.peaks (1.61, 0.81, 25.48 ppm; 3.13 A): 4 out of 8 assignments used, quality = 1.00: * HG LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 122 + QD1 LEU 122 OK 94 94 100 100 2.1-3.2 3.1=98, 4.3/3899=16...(27) HG LEU 122 + QD1 LEU 122 OK 92 92 100 100 2.1-2.1 2.1=100 HG LEU 122 + QD1 LEU 70 OK 50 99 65 77 2.5-8.1 2272/2.1=19, 2257=11...(35) HG LEU 70 - QD1 LEU 122 poor 19 95 20 - 3.4-8.1 HG LEU 119 - QD1 LEU 122 poor 15 90 35 48 3.9-9.0 3.7/11702=15, 2.9/3770=9...(12) HB2 LEU 122 - QD1 LEU 70 far 15 100 15 - 4.3-8.8 HG LEU 119 - QD1 LEU 70 far 0 97 0 - 8.4-12.7 Violated in 0 structures by 0.00 A. Peak 2265 from aliabs.peaks (0.81, 0.81, 25.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + QD1 LEU 70 OK 100 100 - 100 QD1 LEU 122 + QD1 LEU 122 OK 93 93 - 100 Peak 2266 from aliabs.peaks (0.86, 0.81, 25.48 ppm; 2.50 A): 3 out of 16 assignments used, quality = 1.00: * QD2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 70 + QD1 LEU 122 OK 24 95 35 73 2.0-7.0 2273=18, 2272/2.1=11...(40) QD2 LEU 123 + QD1 LEU 122 OK 24 62 95 40 1.9-4.0 11422=9, 4.8/3899=8...(12) QD2 LEU 69 - QD1 LEU 70 far 15 98 15 - 3.3-6.8 QD2 LEU 69 - QD1 LEU 122 far 14 91 15 - 3.3-8.6 QD2 LEU 123 - QD1 LEU 70 far 4 71 5 - 3.9-8.7 QD2 LEU 98 - QD1 LEU 70 far 0 71 0 - 4.5-7.3 QD2 LEU 98 - QD1 LEU 122 far 0 62 0 - 4.5-9.2 QG2 ILE 32 - QD1 LEU 70 far 0 87 0 - 5.1-11.7 QG2 VAL 57 - QD1 LEU 122 far 0 95 0 - 5.6-9.1 QD1 LEU 98 - QD1 LEU 122 far 0 95 0 - 6.0-10.2 QD1 LEU 98 - QD1 LEU 70 far 0 100 0 - 6.2-8.7 QG2 ILE 32 - QD1 LEU 122 far 0 78 0 - 7.0-13.9 QG1 VAL 133 - QD1 LEU 70 far 0 87 0 - 7.7-10.4 QG1 VAL 133 - QD1 LEU 122 far 0 78 0 - 8.7-11.3 QG2 VAL 57 - QD1 LEU 70 far 0 100 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 2267 from aliabs.peaks (8.13, 0.81, 25.48 ppm; 6.02 A): 2 out of 7 assignments used, quality = 1.00: * H ASP 71 + QD1 LEU 70 OK 100 100 100 100 2.2-4.9 6964=100, 2275/2.1=97...(25) H ASN 121 + QD1 LEU 122 OK 86 86 100 100 3.3-6.5 3.8/11092=75...(27) H ASP 71 - QD1 LEU 122 poor 14 95 30 49 6.2-9.8 2275/2273=17...(8) H ILE 32 - QD1 LEU 70 far 5 99 5 - 6.7-14.7 H ASN 121 - QD1 LEU 70 far 0 95 0 - 7.7-12.3 H GLU 91 - QD1 LEU 70 far 0 96 0 - 9.0-11.6 H ILE 32 - QD1 LEU 122 far 0 92 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 2268 from aliabs.peaks (8.46, 0.86, 25.01 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.0-4.3 2.9/2269=64, 6949/2.1=43...(24) H LEU 100 + QD2 LEU 70 OK 28 76 45 83 3.4-6.1 4.9/11115=31...(27) H VAL 93 - QD2 LEU 70 far 0 63 0 - 5.5-9.0 H ASP 47 - QD2 LEU 70 far 0 99 0 - 7.8-13.7 H VAL 132 - QD2 LEU 70 far 0 99 0 - 9.4-13.4 Violated in 5 structures by 0.10 A. Peak 2269 from aliabs.peaks (3.88, 0.86, 25.01 ppm; 3.10 A): 1 out of 7 assignments used, quality = 0.97: * HA LEU 70 + QD2 LEU 70 OK 97 100 100 97 1.8-3.9 2261/2.1=48, 4.0=48...(19) HA LEU 123 - QD2 LEU 70 far 0 57 0 - 4.7-8.8 HA ALA 46 - QD2 LEU 70 far 0 97 0 - 5.0-11.1 HB2 SER 94 - QD2 LEU 70 far 0 87 0 - 6.5-9.9 HA3 GLY 75 - QD2 LEU 70 far 0 96 0 - 7.1-10.7 HB3 SER 50 - QD2 LEU 70 far 0 100 0 - 8.4-14.7 HB2 SER 33 - QD2 LEU 70 far 0 68 0 - 8.4-15.8 Violated in 8 structures by 0.23 A. Peak 2270 from aliabs.peaks (1.71, 0.86, 25.01 ppm; 3.32 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.0-3.2 3.2=100 HB3 LEU 70 + QD2 LEU 70 OK 98 98 100 100 1.9-3.2 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 5.9-9.9 HG LEU 48 - QD2 LEU 70 far 0 99 0 - 8.0-15.3 Violated in 0 structures by 0.00 A. Peak 2271 from aliabs.peaks (1.71, 0.86, 25.01 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-3.2 3.2=100 HB2 LEU 70 + QD2 LEU 70 OK 98 98 100 100 2.0-3.2 3.2=100 HG LEU 98 - QD2 LEU 70 far 0 100 0 - 5.9-9.9 HG LEU 48 - QD2 LEU 70 far 0 100 0 - 8.0-15.3 HG3 ARG 90 - QD2 LEU 70 far 0 76 0 - 9.3-12.5 HB2 LYS 31 - QD2 LEU 70 far 0 60 0 - 9.3-17.2 Violated in 0 structures by 0.00 A. Peak 2272 from aliabs.peaks (1.61, 0.86, 25.01 ppm; 3.12 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 122 + QD2 LEU 70 OK 37 99 45 83 3.2-7.7 2.1/2273=14, 2.1/2273=13...(40) HB2 LEU 122 - QD2 LEU 70 far 10 100 10 - 3.5-7.4 HG LEU 119 - QD2 LEU 70 far 0 97 0 - 8.6-12.3 Violated in 0 structures by 0.00 A. Peak 2273 from aliabs.peaks (0.81, 0.86, 25.01 ppm; 2.50 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 122 + QD2 LEU 70 OK 27 68 65 60 1.8-6.9 2.1/2272=11, 2.1/2266=9...(33) QD1 LEU 122 + QD2 LEU 70 OK 24 99 35 70 2.0-7.0 2266=16, 2.1/2272=11...(39) QD2 LEU 49 - QD2 LEU 70 lone 4 92 35 11 3.3-8.1 11700/4.9=5, 1574/2205=2...(5) QG2 ILE 129 - QD2 LEU 70 far 0 96 0 - 4.9-7.9 QD1 LEU 53 - QD2 LEU 70 far 0 85 0 - 4.9-10.9 QG2 ILE 32 - QD2 LEU 70 far 0 65 0 - 5.4-11.0 QG1 VAL 133 - QD2 LEU 70 far 0 65 0 - 7.1-10.2 QD2 LEU 119 - QD2 LEU 70 far 0 76 0 - 7.3-11.0 QG2 ILE 80 - QD2 LEU 70 far 0 100 0 - 8.7-13.4 Violated in 0 structures by 0.00 A. Peak 2274 from aliabs.peaks (0.86, 0.86, 25.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 Peak 2275 from aliabs.peaks (8.13, 0.86, 25.01 ppm; 4.90 A): 1 out of 5 assignments used, quality = 1.00: * H ASP 71 + QD2 LEU 70 OK 100 100 100 100 2.0-4.5 3.6/2269=86, 6964/2.1=72...(22) H ILE 32 - QD2 LEU 70 far 0 99 0 - 6.7-13.8 H ASN 121 - QD2 LEU 70 far 0 95 0 - 8.0-11.3 H GLU 91 - QD2 LEU 70 far 0 96 0 - 8.7-12.2 H VAL 133 - QD2 LEU 70 far 0 99 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 2276 from aliabs.peaks (8.13, 4.42, 57.33 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HA ASP 71 OK 100 100 100 100 2.8-2.9 2.8=100 H ILE 32 - HA ASP 71 far 10 99 10 - 5.8-16.6 Violated in 0 structures by 0.00 A. Peak 2277 from aliabs.peaks (4.42, 4.42, 57.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 71 + HA ASP 71 OK 100 100 - 100 Peak 2278 from aliabs.peaks (2.61, 4.42, 57.33 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HA ASP 71 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2279 from aliabs.peaks (2.81, 4.42, 57.33 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HA ASP 71 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2280 from aliabs.peaks (8.32, 4.42, 57.33 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 72 + HA ASP 71 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 69 - HA ASP 71 far 4 76 5 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 2282 from aliabs.peaks (4.05, 4.42, 57.33 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.97: HB3 SER 74 + HA ASP 71 OK 84 100 100 84 2.3-4.4 2341=51, 3.9/7004=44...(4) * HB2 SER 74 + HA ASP 71 OK 84 100 100 84 3.2-5.4 2341=49, 3.9/7004=44...(4) HA LEU 96 - HA ASP 71 far 0 100 0 - 9.6-11.5 HA LEU 122 - HA ASP 71 far 0 90 0 - 9.9-13.3 Violated in 1 structures by 0.01 A. Peak 2283 from aliabs.peaks (4.06, 4.42, 57.33 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.97: * HB3 SER 74 + HA ASP 71 OK 84 100 100 84 2.3-4.4 2341=51, 3.9/7004=44...(4) HB2 SER 74 + HA ASP 71 OK 84 100 100 84 3.2-5.4 2341=49, 3.9/7004=44...(4) HA LEU 96 - HA ASP 71 far 0 99 0 - 9.6-11.5 HA LEU 122 - HA ASP 71 far 0 83 0 - 9.9-13.3 Violated in 1 structures by 0.01 A. Peak 2284 from aliabs.peaks (4.00, 2.61, 39.26 ppm; 4.23 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 68 + HB2 ASP 71 OK 100 100 100 100 3.3-4.3 2128=100, 2129/1.8=86...(15) HA ILE 37 - HB2 ASP 71 far 0 87 0 - 6.1-11.4 HB3 SER 106 - HB2 ASP 71 far 0 76 0 - 8.2-20.0 HB2 SER 38 - HB2 ASP 71 far 0 100 0 - 8.8-15.7 HA VAL 20 - HB2 ASP 71 far 0 96 0 - 9.7-27.0 Violated in 1 structures by 0.00 A. Peak 2285 from aliabs.peaks (8.13, 2.61, 39.26 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HB2 ASP 71 OK 100 100 100 100 2.3-3.4 4.0=100 H ILE 32 - HB2 ASP 71 poor 20 99 20 - 4.7-14.6 Violated in 0 structures by 0.00 A. Peak 2286 from aliabs.peaks (4.42, 2.61, 39.26 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 71 + HB2 ASP 71 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 33 - HB2 ASP 71 poor 18 73 25 - 2.1-11.3 HA SER 107 - HB2 ASP 71 far 0 65 0 - 5.6-16.7 Violated in 0 structures by 0.00 A. Peak 2287 from aliabs.peaks (2.61, 2.61, 39.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HB2 ASP 71 OK 100 100 - 100 Peak 2288 from aliabs.peaks (2.81, 2.61, 39.26 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 71 + HB2 ASP 71 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 13 - HB2 ASP 71 far 0 97 0 - 9.9-34.9 Violated in 0 structures by 0.00 A. Peak 2289 from aliabs.peaks (8.32, 2.61, 39.26 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 72 + HB2 ASP 71 OK 100 100 100 100 2.8-4.1 4.6=100 H LEU 69 + HB2 ASP 71 OK 66 76 90 96 5.8-6.4 3.6/2128=71...(9) Violated in 0 structures by 0.00 A. Peak 2290 from aliabs.peaks (4.00, 2.81, 39.26 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 68 + HB3 ASP 71 OK 100 100 100 100 2.5-5.4 2129=100, 2128/1.8=80...(15) HB3 SER 106 - HB3 ASP 71 far 0 76 0 - 7.1-19.7 HA ILE 37 - HB3 ASP 71 far 0 87 0 - 7.4-11.9 Violated in 1 structures by 0.06 A. Peak 2291 from aliabs.peaks (8.13, 2.81, 39.26 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.1-3.6 4.0=100 H ILE 32 - HB3 ASP 71 poor 20 99 20 - 3.7-14.2 Violated in 0 structures by 0.00 A. Peak 2292 from aliabs.peaks (4.42, 2.81, 39.26 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 71 + HB3 ASP 71 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 33 - HB3 ASP 71 poor 18 73 25 - 3.2-11.3 HA SER 107 - HB3 ASP 71 far 0 65 0 - 6.6-16.2 Violated in 0 structures by 0.00 A. Peak 2293 from aliabs.peaks (2.61, 2.81, 39.26 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HB3 ASP 71 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2294 from aliabs.peaks (2.81, 2.81, 39.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HB3 ASP 71 OK 100 100 - 100 Peak 2295 from aliabs.peaks (8.32, 2.81, 39.26 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 72 + HB3 ASP 71 OK 100 100 100 100 2.7-4.1 4.6=100 H LEU 69 + HB3 ASP 71 OK 71 76 95 98 4.6-7.4 3.6/2129=76, 3.6/9499=39...(10) Violated in 0 structures by 0.00 A. Peak 2296 from aliabs.peaks (8.32, 4.54, 60.34 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HA TYR 72 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 69 - HA TYR 72 far 0 76 0 - 7.1-7.8 H GLU 44 - HA TYR 72 far 0 97 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 2297 from aliabs.peaks (4.54, 4.54, 60.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 72 + HA TYR 72 OK 100 100 - 100 Peak 2298 from aliabs.peaks (3.02, 4.54, 60.34 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HA TYR 72 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2299 from aliabs.peaks (3.34, 4.54, 60.34 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 72 + HA TYR 72 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 HIS 67 - HA TYR 72 far 0 100 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 2300 from aliabs.peaks (7.14, 4.54, 60.34 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HA TYR 72 OK 100 100 100 100 1.9-3.5 3.4=100 HD2 HIS 67 - HA TYR 72 far 0 68 0 - 8.3-13.5 Violated in 0 structures by 0.00 A. Peak 2301 from aliabs.peaks (6.80, 4.54, 60.34 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.99: * QE TYR 72 + HA TYR 72 OK 99 100 100 99 4.3-5.6 5.2=63, 6984/2.9=49...(14) HE21 GLN 68 - HA TYR 72 far 0 96 0 - 6.5-10.9 Violated in 11 structures by 0.28 A. Peak 2303 from aliabs.peaks (4.35, 3.02, 37.59 ppm; 5.95 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 69 + HB2 TYR 72 OK 100 100 100 100 2.5-5.4 2177=100, 2178/1.8=99...(25) HA2 GLY 75 + HB2 TYR 72 OK 61 76 100 80 5.6-7.1 9531/2.7=33, 6988/4.4=24...(8) HA CYS 73 + HB2 TYR 72 OK 57 60 100 96 4.1-5.7 ~6996=54, 9102/10874=42...(11) Violated in 0 structures by 0.00 A. Peak 2304 from aliabs.peaks (8.32, 3.02, 37.59 ppm; 6.47 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.3-3.7 3.8=100 H LEU 69 + HB2 TYR 72 OK 76 76 100 100 5.2-7.6 2.9/2177=89, ~2178=80...(20) H GLU 44 - HB2 TYR 72 poor 18 97 30 61 7.3-10.3 9504/2.7=34...(5) H LEU 49 - HB2 TYR 72 far 0 81 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 2305 from aliabs.peaks (4.54, 3.02, 37.59 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 38 - HB2 TYR 72 poor 19 100 30 64 4.9-9.5 10846/9010=40...(5) Violated in 0 structures by 0.00 A. Peak 2306 from aliabs.peaks (3.02, 3.02, 37.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HB2 TYR 72 OK 100 100 - 100 Peak 2307 from aliabs.peaks (3.34, 3.02, 37.59 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 72 + HB2 TYR 72 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 67 - HB2 TYR 72 far 0 100 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 2308 from aliabs.peaks (7.14, 3.02, 37.59 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HB2 TYR 72 OK 100 100 100 100 2.3-2.8 2.7=100 HD2 HIS 67 - HB2 TYR 72 far 0 68 0 - 8.4-13.7 Violated in 0 structures by 0.00 A. Peak 2309 from aliabs.peaks (6.80, 3.02, 37.59 ppm; 5.47 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 72 + HB2 TYR 72 OK 100 100 100 100 4.4-4.5 4.5=100 HE21 GLN 68 - HB2 TYR 72 far 5 96 5 - 4.5-9.7 HE21 GLN 127 - HB2 TYR 72 far 0 87 0 - 8.4-18.6 Violated in 0 structures by 0.00 A. Peak 2311 from aliabs.peaks (4.35, 3.34, 37.59 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HB3 TYR 72 OK 100 100 100 100 2.5-5.2 2178=100, 6973/3.8=100...(27) HA2 GLY 75 + HB3 TYR 72 OK 64 76 100 84 5.9-7.3 9531/2.7=35, 6988/4.4=29...(8) HA CYS 73 + HB3 TYR 72 OK 60 60 100 100 4.0-5.6 9529/1.8=74, ~6996=68...(15) HA LYS 24 - HB3 TYR 72 far 0 85 0 - 10.0-25.4 Violated in 0 structures by 0.00 A. Peak 2312 from aliabs.peaks (8.32, 3.34, 37.59 ppm; 6.66 A): 3 out of 4 assignments used, quality = 1.00: * H TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.4-3.6 3.8=100 H LEU 69 + HB3 TYR 72 OK 76 76 100 100 5.2-7.5 2.9/2178=98, 4.3/9514=78...(20) H GLU 44 + HB3 TYR 72 OK 36 97 50 74 6.9-9.7 9504/2.7=36...(6) H LEU 49 - HB3 TYR 72 far 0 81 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 2313 from aliabs.peaks (4.54, 3.34, 37.59 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 38 - HB3 TYR 72 poor 20 100 25 80 4.1-9.1 10846/10825=50...(5) Violated in 0 structures by 0.00 A. Peak 2314 from aliabs.peaks (3.02, 3.34, 37.59 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HB3 TYR 72 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2315 from aliabs.peaks (3.34, 3.34, 37.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 72 + HB3 TYR 72 OK 100 100 - 100 Peak 2316 from aliabs.peaks (7.14, 3.34, 37.59 ppm; 5.44 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HB3 TYR 72 OK 100 100 100 100 2.3-2.8 2.7=100 HD2 HIS 67 - HB3 TYR 72 far 0 68 0 - 8.3-13.9 Violated in 0 structures by 0.00 A. Peak 2320 from aliabs.peaks (4.38, 4.38, 64.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA CYS 73 + HA CYS 73 OK 100 100 - 100 HA PRO 113 + HA PRO 113 OK 48 48 - 100 Peak 2321 from aliabs.peaks (2.74, 4.38, 64.33 ppm; 4.23 A): 2 out of 5 assignments used, quality = 1.00: * HB2 CYS 73 + HA CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TYR 76 + HA CYS 73 OK 66 71 95 98 1.8-5.9 3.8/11789=47...(23) HB3 ASP 78 - HA CYS 73 far 0 92 0 - 7.8-9.7 HB2 CYS 125 - HA CYS 73 far 0 99 0 - 8.3-11.7 HB3 ASP 35 - HA CYS 73 far 0 97 0 - 9.5-16.9 Violated in 0 structures by 0.00 A. Peak 2322 from aliabs.peaks (3.31, 4.38, 64.33 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 73 + HA CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PHE 89 - HA CYS 73 far 0 99 0 - 6.6-7.7 HB3 PHE 89 - HA CYS 73 far 0 60 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. Peak 2324 from aliabs.peaks (3.88, 2.74, 27.42 ppm; 6.03 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 70 + HB2 CYS 73 OK 100 100 100 100 1.9-5.0 2232=100, 2233/1.8=100...(21) HA3 GLY 75 + HB2 CYS 73 OK 51 96 55 97 7.2-8.2 9608/9961=49, ~9539=49...(9) HA ALA 46 - HB2 CYS 73 poor 19 97 20 - 6.9-10.0 HB2 SER 94 - HB2 CYS 73 far 0 87 0 - 7.5-11.0 HA LYS 86 - HB2 CYS 73 far 0 99 0 - 7.9-11.2 HD2 PRO 81 - HB2 CYS 73 far 0 60 0 - 7.9-13.7 HA LEU 123 - HB2 CYS 73 far 0 57 0 - 9.3-11.3 HB2 SER 33 - HB2 CYS 73 far 0 68 0 - 9.8-18.3 Violated in 0 structures by 0.00 A. Peak 2325 from aliabs.peaks (8.85, 2.74, 27.42 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB2 CYS 73 OK 100 100 100 100 2.3-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2326 from aliabs.peaks (4.38, 2.74, 27.42 ppm; 5.73 A): 2 out of 5 assignments used, quality = 1.00: * HA CYS 73 + HB2 CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 69 + HB2 CYS 73 OK 49 60 90 91 4.2-7.3 4.9/2232=67, 2332/1.8=22...(11) HA CYS 125 - HB2 CYS 73 far 0 81 0 - 7.6-10.2 HA SER 33 - HB2 CYS 73 far 0 92 0 - 7.9-17.3 HA ASP 78 - HB2 CYS 73 far 0 99 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2327 from aliabs.peaks (2.74, 2.74, 27.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 73 + HB2 CYS 73 OK 100 100 - 100 Peak 2328 from aliabs.peaks (3.31, 2.74, 27.42 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 73 + HB2 CYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 89 - HB2 CYS 73 far 5 99 5 - 6.0-9.5 HB3 PHE 89 - HB2 CYS 73 far 0 60 0 - 6.3-9.8 Violated in 0 structures by 0.00 A. Peak 2330 from aliabs.peaks (3.88, 3.31, 27.42 ppm; 5.18 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 70 + HB3 CYS 73 OK 100 100 100 100 2.5-5.0 2233=100, 2232/1.8=94...(21) HA ALA 46 - HB3 CYS 73 far 5 97 5 - 6.6-10.1 HA3 GLY 75 - HB3 CYS 73 far 0 96 0 - 7.1-8.1 HB2 SER 94 - HB3 CYS 73 far 0 87 0 - 7.7-11.2 HA LYS 86 - HB3 CYS 73 far 0 99 0 - 7.9-10.7 HD2 PRO 81 - HB3 CYS 73 far 0 60 0 - 7.9-12.4 HB2 SER 33 - HB3 CYS 73 far 0 68 0 - 9.4-17.8 HA LEU 123 - HB3 CYS 73 far 0 57 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 2332 from aliabs.peaks (4.38, 3.31, 27.42 ppm; 5.02 A): 2 out of 6 assignments used, quality = 1.00: * HA CYS 73 + HB3 CYS 73 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 69 + HB3 CYS 73 OK 30 60 55 91 4.1-7.3 4.9/2233=55...(15) HA SER 33 - HB3 CYS 73 far 0 92 0 - 7.8-16.2 HA CYS 125 - HB3 CYS 73 far 0 81 0 - 8.1-10.5 HA ASP 78 - HB3 CYS 73 far 0 99 0 - 9.6-11.6 HA GLN 134 - HB3 CYS 73 far 0 73 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 2333 from aliabs.peaks (2.74, 3.31, 27.42 ppm; 4.73 A): 2 out of 5 assignments used, quality = 1.00: * HB2 CYS 73 + HB3 CYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TYR 76 + HB3 CYS 73 OK 52 71 75 98 3.9-8.3 ~11160=39, ~11137=39...(22) HB2 CYS 125 - HB3 CYS 73 far 5 99 5 - 6.2-9.3 HB3 ASP 78 - HB3 CYS 73 far 0 92 0 - 9.0-11.4 HB2 ASP 131 - HB3 CYS 73 far 0 60 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2334 from aliabs.peaks (3.31, 3.31, 27.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 73 + HB3 CYS 73 OK 100 100 - 100 Peak 2335 from aliabs.peaks (8.41, 3.31, 27.42 ppm; 6.63 A): 2 out of 2 assignments used, quality = 1.00: * H SER 74 + HB3 CYS 73 OK 100 100 100 100 2.4-4.1 4.4=100 H VAL 93 + HB3 CYS 73 OK 61 71 100 86 4.9-7.5 3.9/9581=76, 3.9/9579=23...(7) Violated in 0 structures by 0.00 A. Peak 2336 from aliabs.peaks (8.41, 4.29, 61.37 ppm; 5.50 A): 2 out of 5 assignments used, quality = 1.00: * H SER 74 + HA SER 74 OK 100 100 100 100 2.7-2.9 2.9=100 H VAL 93 + HA SER 74 OK 56 71 100 79 5.7-7.0 3.9/9591=34, 3.9/9590=32...(10) H MET 11 - HA THR 25 far 5 99 5 - 5.7-25.5 H VAL 93 - HA PHE 87 far 0 25 0 - 7.8-8.3 H MET 11 - HA THR 18 far 0 67 0 - 8.5-18.0 Violated in 0 structures by 0.00 A. Peak 2337 from aliabs.peaks (4.29, 4.29, 61.37 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA SER 74 + HA SER 74 OK 100 100 - 100 HA THR 25 + HA THR 25 OK 99 99 - 100 HA THR 18 + HA THR 18 OK 66 66 - 100 HA PHE 87 + HA PHE 87 OK 33 33 - 100 Peak 2338 from aliabs.peaks (4.05, 4.29, 61.37 ppm; 3.21 A): 2 out of 12 assignments used, quality = 1.00: * HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.6-3.0 3.0=100 HB THR 65 - HA THR 25 far 0 96 0 - 5.4-22.8 HA GLU 44 - HA THR 25 far 0 91 0 - 6.3-28.3 HB THR 65 - HA THR 18 far 0 64 0 - 8.1-31.9 HA GLU 44 - HA THR 18 far 0 58 0 - 8.4-36.0 HA GLU 102 - HA THR 25 far 0 98 0 - 8.5-30.2 HA ALA 92 - HA SER 74 far 0 100 0 - 9.0-10.3 HA ALA 92 - HA PHE 87 far 0 44 0 - 9.2-9.8 HA LEU 96 - HA SER 74 far 0 100 0 - 9.5-10.5 HD3 PRO 81 - HA THR 18 far 0 51 0 - 9.7-40.9 HD3 PRO 81 - HA PHE 87 far 0 32 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 2339 from aliabs.peaks (4.06, 4.29, 61.37 ppm; 3.21 A): 2 out of 14 assignments used, quality = 1.00: * HB3 SER 74 + HA SER 74 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 SER 74 + HA SER 74 OK 100 100 100 100 2.3-2.9 3.0=100 HB THR 65 - HA THR 25 far 0 98 0 - 5.4-22.8 HA GLU 44 - HA THR 25 far 0 85 0 - 6.3-28.3 HA PHE 89 - HA PHE 87 far 0 24 0 - 6.6-6.8 HA PHE 89 - HA SER 74 far 0 68 0 - 7.5-8.9 HB THR 65 - HA THR 18 far 0 67 0 - 8.1-31.9 HA GLU 44 - HA THR 18 far 0 53 0 - 8.4-36.0 HA GLU 102 - HA THR 25 far 0 95 0 - 8.5-30.2 HA ALA 92 - HA SER 74 far 0 100 0 - 9.0-10.3 HA ALA 92 - HA PHE 87 far 0 43 0 - 9.2-9.8 HA LEU 96 - HA SER 74 far 0 99 0 - 9.5-10.5 HD3 PRO 81 - HA THR 18 far 0 44 0 - 9.7-40.9 HD3 PRO 81 - HA PHE 87 far 0 27 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 2341 from aliabs.peaks (4.42, 4.05, 62.42 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.96: HA ASP 71 + HB3 SER 74 OK 81 99 100 81 2.3-4.4 2282=47, 7004/3.9=42...(4) * HA ASP 71 + HB2 SER 74 OK 77 100 95 81 3.2-5.4 2282=47, 7004/3.9=42...(4) HA SER 33 - HB3 SER 74 far 7 71 10 - 4.7-16.8 HA SER 33 - HB2 SER 74 far 0 73 0 - 6.4-17.2 HA SER 107 - HB3 SER 74 far 0 64 0 - 8.2-17.5 HA SER 107 - HB2 SER 74 far 0 65 0 - 9.1-18.7 Violated in 1 structures by 0.01 A. Peak 2342 from aliabs.peaks (8.41, 4.05, 62.42 ppm; 5.30 A): 2 out of 4 assignments used, quality = 1.00: * H SER 74 + HB2 SER 74 OK 100 100 100 100 2.1-3.6 3.9=100 H SER 74 + HB3 SER 74 OK 99 99 100 100 2.1-3.4 3.9=100 H VAL 93 - HB2 SER 74 far 11 71 15 - 6.6-8.3 H VAL 93 - HB3 SER 74 far 0 69 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 2343 from aliabs.peaks (4.29, 4.05, 62.42 ppm; 3.13 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 74 + HB2 SER 74 OK 100 100 100 100 2.3-2.9 3.0=100 HA SER 74 + HB3 SER 74 OK 99 99 100 100 2.6-3.0 3.0=100 HA LYS 31 - HB3 SER 74 far 0 85 0 - 6.5-20.5 HA TYR 76 - HB3 SER 74 far 0 83 0 - 7.5-8.7 HA LYS 31 - HB2 SER 74 far 0 87 0 - 7.9-21.4 HA TYR 76 - HB2 SER 74 far 0 85 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 2344 from aliabs.peaks (4.05, 4.05, 62.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 HB3 SER 74 + HB3 SER 74 OK 99 99 - 100 Peak 2345 from aliabs.peaks (4.06, 4.05, 62.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 HB3 SER 74 + HB3 SER 74 OK 99 99 - 100 Reference assignment not found: HB3 SER 74 - HB2 SER 74 Peak 2347 from aliabs.peaks (4.42, 4.06, 62.42 ppm; 4.15 A): 2 out of 6 assignments used, quality = 0.98: * HA ASP 71 + HB3 SER 74 OK 85 100 100 85 2.3-4.4 2283=50, 7004/3.9=47...(4) HA ASP 71 + HB2 SER 74 OK 85 99 100 85 3.2-5.4 2283=50, 7004/3.9=47...(4) HA SER 33 - HB3 SER 74 far 7 73 10 - 4.7-16.8 HA SER 33 - HB2 SER 74 far 0 71 0 - 6.4-17.2 HA SER 107 - HB3 SER 74 far 0 65 0 - 8.2-17.5 HA SER 107 - HB2 SER 74 far 0 64 0 - 9.1-18.7 Violated in 1 structures by 0.00 A. Peak 2349 from aliabs.peaks (4.29, 4.06, 62.42 ppm; 3.26 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 74 + HB3 SER 74 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 74 + HB2 SER 74 OK 99 99 100 100 2.3-2.9 3.0=100 HA LYS 31 - HB3 SER 74 far 0 87 0 - 6.5-20.5 HA TYR 76 - HB3 SER 74 far 0 85 0 - 7.5-8.7 HA LYS 31 - HB2 SER 74 far 0 85 0 - 7.9-21.4 HA TYR 76 - HB2 SER 74 far 0 83 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 2350 from aliabs.peaks (4.05, 4.06, 62.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 HB2 SER 74 + HB2 SER 74 OK 99 99 - 100 Reference assignment not found: HB2 SER 74 - HB3 SER 74 Peak 2351 from aliabs.peaks (4.06, 4.06, 62.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 HB2 SER 74 + HB2 SER 74 OK 99 99 - 100 Peak 2353 from aliabs.peaks (7.79, 4.32, 45.42 ppm; 5.99 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 75 + HA2 GLY 75 OK 100 100 100 100 2.3-2.5 2.9=100 HE22 GLN 68 - HA2 GLY 75 far 0 93 0 - 10.0-15.6 Violated in 0 structures by 0.00 A. Peak 2354 from aliabs.peaks (4.32, 4.32, 45.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 75 + HA2 GLY 75 OK 100 100 - 100 Peak 2355 from aliabs.peaks (3.89, 4.32, 45.42 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 75 + HA2 GLY 75 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 33 - HA2 GLY 75 far 9 93 10 - 2.8-17.9 HA LEU 70 - HA2 GLY 75 far 0 96 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 2358 from aliabs.peaks (4.32, 3.89, 45.42 ppm; 3.30 A): 2 out of 4 assignments used, quality = 1.00: * HA2 GLY 75 + HA3 GLY 75 OK 100 100 100 100 1.8-1.8 1.8=100 HA TYR 76 + HA3 GLY 75 OK 42 87 70 69 4.7-4.9 4.9=30, 7020/2.9=13...(12) HA ASN 59 - HA2 GLY 114 poor 14 69 20 - 3.7-12.4 HA LEU 69 - HA3 GLY 75 far 0 76 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 2359 from aliabs.peaks (3.89, 3.89, 45.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 75 + HA3 GLY 75 OK 100 100 - 100 HA2 GLY 114 + HA2 GLY 114 OK 67 67 - 100 Peak 2362 from aliabs.peaks (4.31, 4.31, 59.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 76 + HA TYR 76 OK 100 100 - 100 Peak 2363 from aliabs.peaks (2.76, 4.31, 59.75 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 76 + HA TYR 76 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 CYS 73 - HA TYR 76 far 0 71 0 - 6.7-8.6 Violated in 0 structures by 0.00 A. Peak 2364 from aliabs.peaks (3.13, 4.31, 59.75 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 76 + HA TYR 76 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 90 - HA TYR 76 far 0 57 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 2365 from aliabs.peaks (6.50, 4.31, 59.75 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 76 + HA TYR 76 OK 100 100 100 100 2.0-3.4 3.1=100 QE TYR 76 + HA TYR 76 OK 68 71 100 96 4.4-5.2 4.7=72, ~7030=36...(15) Violated in 0 structures by 0.00 A. Peak 2366 from aliabs.peaks (6.48, 4.31, 59.75 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.99: * QE TYR 76 + HA TYR 76 OK 97 100 100 97 4.4-5.2 4.7=62, ~7030=32...(17) QD TYR 76 + HA TYR 76 OK 71 71 100 100 2.0-3.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 2369 from aliabs.peaks (4.31, 2.76, 40.83 ppm; 3.69 A): 3 out of 8 assignments used, quality = 1.00: * HA TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.2-3.0 3.0=100 HA ASP 131 + HB2 ASP 131 OK 99 99 100 100 2.6-3.0 3.0=100 HA2 GLY 75 + HB2 TYR 76 OK 32 87 40 92 4.9-5.7 4.9=43, 3.5/7028=35...(18) HA SER 74 - HB2 TYR 76 far 0 85 0 - 5.6-8.0 HA THR 18 - HB2 TYR 76 far 0 68 0 - 6.9-34.3 HA LYS 36 - HB2 TYR 76 far 0 76 0 - 7.3-14.2 HA PRO 81 - HB2 TYR 76 far 0 83 0 - 9.3-11.4 HA ALA 12 - HB2 TYR 76 far 0 78 0 - 9.7-39.2 Violated in 0 structures by 0.00 A. Peak 2370 from aliabs.peaks (2.76, 2.76, 40.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 TYR 76 + HB2 TYR 76 OK 100 100 - 100 HB2 ASP 131 + HB2 ASP 131 OK 99 99 - 100 Peak 2371 from aliabs.peaks (3.13, 2.76, 40.83 ppm; 4.54 A): 1 out of 8 assignments used, quality = 1.00: * HB3 TYR 76 + HB2 TYR 76 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 90 - HB2 TYR 76 far 0 57 0 - 8.4-13.2 HB3 HIS 3 - HB2 ASP 131 far 0 60 0 - 8.5-72.1 HB3 CYS 45 - HB2 TYR 76 far 0 90 0 - 8.5-12.4 HB2 HIS 4 - HB2 ASP 131 far 0 68 0 - 8.8-70.9 HB3 HIS 6 - HB2 ASP 131 far 0 82 0 - 9.3-65.5 HB2 HIS 6 - HB2 ASP 131 far 0 71 0 - 9.7-63.9 HB2 HIS 7 - HB2 ASP 131 far 0 60 0 - 9.7-61.4 Violated in 0 structures by 0.00 A. Peak 2372 from aliabs.peaks (6.50, 2.76, 40.83 ppm; 5.64 A): 2 out of 3 assignments used, quality = 1.00: * QD TYR 76 + HB2 TYR 76 OK 100 100 100 100 2.3-2.8 2.6=100 QE TYR 76 + HB2 TYR 76 OK 71 71 100 100 4.4-4.5 4.5=100 QE TYR 76 - HB2 ASP 131 far 0 68 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 2373 from aliabs.peaks (6.48, 2.76, 40.83 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: * QE TYR 76 + HB2 TYR 76 OK 100 100 100 100 4.4-4.5 4.5=100 QD TYR 76 + HB2 TYR 76 OK 71 71 100 100 2.3-2.8 2.6=100 QE TYR 76 - HB2 ASP 131 far 0 99 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 2376 from aliabs.peaks (4.31, 3.13, 40.83 ppm; 4.32 A): 2 out of 6 assignments used, quality = 1.00: * HA TYR 76 + HB3 TYR 76 OK 100 100 100 100 2.4-3.0 3.0=100 HA2 GLY 75 + HB3 TYR 76 OK 85 87 100 98 4.6-5.4 4.9=68, 3.5/7029=64...(12) HA SER 74 - HB3 TYR 76 far 4 85 5 - 5.7-7.4 HA LYS 36 - HB3 TYR 76 far 0 76 0 - 8.0-14.5 HA THR 18 - HB3 TYR 76 far 0 68 0 - 8.5-34.2 HA PRO 81 - HB3 TYR 76 far 0 83 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 2377 from aliabs.peaks (2.76, 3.13, 40.83 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: * HB2 TYR 76 + HB3 TYR 76 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 CYS 73 + HB3 TYR 76 OK 41 71 60 96 4.2-7.4 3.0/11160=43, ~11126=25...(19) Violated in 0 structures by 0.00 A. Peak 2378 from aliabs.peaks (3.13, 3.13, 40.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + HB3 TYR 76 OK 100 100 - 100 Peak 2379 from aliabs.peaks (6.50, 3.13, 40.83 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 76 + HB3 TYR 76 OK 100 100 100 100 2.3-2.7 2.6=100 QE TYR 76 + HB3 TYR 76 OK 71 71 100 100 4.4-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 2380 from aliabs.peaks (6.48, 3.13, 40.83 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * QE TYR 76 + HB3 TYR 76 OK 100 100 100 100 4.4-4.5 4.5=98, 2366/3.0=41...(15) QD TYR 76 + HB3 TYR 76 OK 71 71 100 100 2.3-2.7 2.6=100 Violated in 0 structures by 0.00 A. Peak 2383 from aliabs.peaks (3.45, 3.45, 65.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA VAL 77 + HA VAL 77 OK 100 100 - 100 HA ILE 129 + HA ILE 129 OK 86 86 - 100 Peak 2384 from aliabs.peaks (2.34, 3.45, 65.83 ppm; 4.43 A): 2 out of 6 assignments used, quality = 1.00: * HB VAL 77 + HA VAL 77 OK 100 100 100 100 2.5-2.7 3.0=100 HG2 GLU 128 + HA ILE 129 OK 34 86 40 100 3.3-6.6 4109/2.9=60...(25) HB VAL 77 - HA ILE 129 far 0 86 0 - 7.0-9.4 HG2 GLN 127 - HA ILE 129 far 0 86 0 - 8.1-9.2 HB3 GLN 134 - HA ILE 129 far 0 80 0 - 8.3-10.2 HG2 GLU 128 - HA VAL 77 far 0 100 0 - 10.0-15.3 Violated in 0 structures by 0.00 A. Peak 2385 from aliabs.peaks (1.05, 3.45, 65.83 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 77 + HA VAL 77 OK 100 100 100 100 3.1-3.2 3.2=100 QG2 VAL 133 - HA ILE 129 poor 19 77 25 - 5.3-6.9 QG2 VAL 133 - HA VAL 77 far 5 95 5 - 5.8-8.2 QG1 VAL 77 - HA ILE 129 far 0 86 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 2386 from aliabs.peaks (1.19, 3.45, 65.83 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 77 + HA VAL 77 OK 100 100 100 100 1.9-2.1 3.2=100 HG12 ILE 80 + HA VAL 77 OK 71 71 100 100 1.9-4.0 2.1/9725=82, 4.4/9668=33...(38) QG2 VAL 77 - HA ILE 129 far 0 86 0 - 5.6-7.2 HG12 ILE 80 - HA ILE 129 far 0 55 0 - 6.8-10.3 QG2 THR 18 - HA VAL 77 far 0 81 0 - 8.4-32.9 QB ALA 41 - HA VAL 77 far 0 97 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 2389 from aliabs.peaks (3.45, 2.34, 31.42 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 77 + HB VAL 77 OK 100 100 100 100 2.5-2.7 3.0=100 HA ILE 129 - HB VAL 77 far 0 100 0 - 7.0-9.4 HA VAL 126 - HB VAL 77 far 0 92 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 2390 from aliabs.peaks (2.34, 2.34, 31.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 77 + HB VAL 77 OK 100 100 - 100 HB2 PRO 117 + HB2 PRO 117 OK 30 30 - 100 Peak 2391 from aliabs.peaks (1.05, 2.34, 31.42 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 77 + HB VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 133 - HB VAL 77 far 0 95 0 - 7.1-9.6 Violated in 0 structures by 0.00 A. Peak 2392 from aliabs.peaks (1.19, 2.34, 31.42 ppm; 3.12 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 77 + HB VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 80 + HB VAL 77 OK 35 71 50 98 4.1-6.4 ~9725=21, ~9719=21...(38) QG2 THR 18 - HB VAL 77 far 0 81 0 - 9.9-32.4 Violated in 0 structures by 0.00 A. Peak 2395 from aliabs.peaks (3.45, 1.05, 19.58 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 77 + QG1 VAL 77 OK 100 100 100 100 3.1-3.2 3.2=100 HA ILE 129 - QG1 VAL 77 far 0 100 0 - 7.7-9.4 HA VAL 126 - QG1 VAL 77 far 0 92 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2396 from aliabs.peaks (2.34, 1.05, 19.58 ppm; 2.84 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 77 + QG1 VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 128 - QG1 VAL 77 far 0 100 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 2397 from aliabs.peaks (1.05, 1.05, 19.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 77 + QG1 VAL 77 OK 100 100 - 100 Peak 2398 from aliabs.peaks (1.19, 1.05, 19.58 ppm; 2.52 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 77 + QG1 VAL 77 OK 100 100 100 100 2.0-2.1 2.1=100 HG12 ILE 80 - QG1 VAL 77 far 4 71 5 - 3.9-5.7 QG2 THR 18 - QG1 VAL 77 far 0 81 0 - 8.4-28.5 QB ALA 41 - QG1 VAL 77 far 0 97 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 2401 from aliabs.peaks (3.45, 1.19, 22.02 ppm; 3.02 A): 1 out of 4 assignments used, quality = 0.99: * HA VAL 77 + QG2 VAL 77 OK 99 100 100 99 1.9-2.1 3.2=84, 3.0/7044=41...(25) HA ILE 129 - QG2 VAL 77 far 0 100 0 - 5.6-7.2 HA VAL 126 - QG2 VAL 77 far 0 92 0 - 7.8-9.3 HA LEU 42 - QG2 VAL 77 far 0 85 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 2402 from aliabs.peaks (2.34, 1.19, 22.02 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 77 + QG2 VAL 77 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 128 - QG2 VAL 77 far 0 100 0 - 7.1-12.1 Violated in 0 structures by 0.00 A. Peak 2403 from aliabs.peaks (1.05, 1.19, 22.02 ppm; 2.52 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 77 + QG2 VAL 77 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 133 - QG2 VAL 77 far 0 95 0 - 6.1-7.6 Violated in 0 structures by 0.00 A. Peak 2404 from aliabs.peaks (1.19, 1.19, 22.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 77 + QG2 VAL 77 OK 100 100 - 100 Peak 2407 from aliabs.peaks (4.38, 4.38, 55.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 78 + HA ASP 78 OK 100 100 - 100 Peak 2408 from aliabs.peaks (2.50, 4.38, 55.71 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 78 + HA ASP 78 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 MET 11 - HA ASP 78 far 0 92 0 - 7.7-45.4 Violated in 0 structures by 0.00 A. Peak 2409 from aliabs.peaks (2.72, 4.38, 55.71 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 78 + HA ASP 78 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 CYS 73 - HA ASP 78 far 0 92 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 2412 from aliabs.peaks (4.38, 2.50, 39.87 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 78 + HB2 ASP 78 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 9 - HB2 ASP 78 far 5 100 5 - 3.3-48.9 HA SER 33 - HB2 ASP 78 far 0 99 0 - 5.1-22.6 HA CYS 73 - HB2 ASP 78 far 0 99 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 2413 from aliabs.peaks (2.50, 2.50, 39.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 78 + HB2 ASP 78 OK 100 100 - 100 Peak 2414 from aliabs.peaks (2.72, 2.50, 39.87 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 78 + HB2 ASP 78 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 35 - HB2 ASP 78 far 0 100 0 - 7.7-21.6 HB2 CYS 73 - HB2 ASP 78 far 0 92 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 2417 from aliabs.peaks (4.38, 2.72, 39.87 ppm; 3.43 A): 1 out of 8 assignments used, quality = 1.00: * HA ASP 78 + HB3 ASP 78 OK 100 100 100 100 2.5-3.0 3.0=100 HA SER 9 - HB3 ASP 78 far 5 100 5 - 3.8-48.8 HA SER 33 - HB3 ASP 35 far 0 54 0 - 5.3-7.4 HA SER 33 - HB3 ASP 78 far 0 99 0 - 5.4-22.6 HA SER 9 - HB2 ASP 47 far 0 94 0 - 6.7-50.2 HA HIS 5 - HB2 ASP 47 far 0 58 0 - 7.0-62.0 HA CYS 73 - HB3 ASP 78 far 0 99 0 - 7.8-9.7 HA CYS 73 - HB3 ASP 35 far 0 54 0 - 9.5-16.9 Violated in 0 structures by 0.00 A. Peak 2418 from aliabs.peaks (2.50, 2.72, 39.87 ppm; 2.98 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ASP 78 + HB3 ASP 78 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 44 - HB2 ASP 47 far 0 90 0 - 5.3-7.2 HG3 GLU 44 - HB3 ASP 35 far 0 52 0 - 6.1-17.1 HG3 MET 11 - HB3 ASP 78 far 0 92 0 - 6.3-44.7 HG3 GLN 127 - HB2 ASP 47 far 0 83 0 - 6.6-10.8 HB2 ASP 78 - HB3 ASP 35 far 0 57 0 - 7.7-21.6 HG3 MET 11 - HB3 ASP 35 far 0 47 0 - 9.2-35.2 Violated in 0 structures by 0.00 A. Peak 2419 from aliabs.peaks (2.72, 2.72, 39.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASP 78 + HB3 ASP 78 OK 100 100 - 100 HB2 ASP 47 + HB2 ASP 47 OK 92 92 - 100 HB3 ASP 35 + HB3 ASP 35 OK 56 56 - 100 Peak 2422 from aliabs.peaks (4.11, 4.11, 58.55 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA CYS 79 + HA CYS 79 OK 100 100 - 100 HA GLN 101 + HA GLN 101 OK 85 85 - 100 HA ILE 80 + HA ILE 80 OK 45 45 - 100 Peak 2423 from aliabs.peaks (1.83, 4.11, 58.55 ppm; 4.43 A): 3 out of 8 assignments used, quality = 1.00: * HB2 CYS 79 + HA CYS 79 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 LEU 100 + HA GLN 101 OK 81 82 100 99 4.0-5.1 1.8/10048=56...(24) HB2 CYS 79 + HA ILE 80 OK 59 60 100 99 4.2-5.4 11214/3.2=52, 2427=45...(20) HB3 LYS 26 - HA GLN 101 far 4 73 5 - 5.1-25.3 HB3 ARG 135 - HA ILE 80 far 0 53 0 - 6.2-11.8 HB ILE 32 - HA GLN 101 far 0 66 0 - 9.4-19.9 HB2 ARG 84 - HA ILE 80 far 0 42 0 - 9.7-12.1 HB VAL 93 - HA ILE 80 far 0 60 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 2424 from aliabs.peaks (2.60, 4.11, 58.55 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: * HB3 CYS 79 + HA CYS 79 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 CYS 79 + HA ILE 80 OK 47 60 80 99 4.4-5.8 11166/3.0=47...(20) HB2 ASP 71 - HA GLN 101 far 0 83 0 - 6.6-12.6 Violated in 0 structures by 0.00 A. Peak 2427 from aliabs.peaks (4.11, 1.83, 26.84 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * HA CYS 79 + HB2 CYS 79 OK 100 100 100 100 2.7-3.0 3.0=100 HA ILE 80 + HB2 CYS 79 OK 77 85 95 95 4.2-5.4 3.2/11214=38, ~11166=27...(20) Violated in 0 structures by 0.00 A. Peak 2428 from aliabs.peaks (1.83, 1.83, 26.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 79 + HB2 CYS 79 OK 100 100 - 100 Peak 2429 from aliabs.peaks (2.60, 1.83, 26.84 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 79 + HB2 CYS 79 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2432 from aliabs.peaks (4.11, 2.60, 26.84 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: * HA CYS 79 + HB3 CYS 79 OK 100 100 100 100 2.4-3.0 3.0=100 HA ILE 80 + HB3 CYS 79 OK 39 85 50 93 4.4-5.8 3.0/11166=31...(20) Violated in 0 structures by 0.00 A. Peak 2433 from aliabs.peaks (1.83, 2.60, 26.84 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 79 + HB3 CYS 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 32 - HB3 CYS 79 far 0 85 0 - 9.5-21.7 HB3 ARG 135 - HB3 CYS 79 far 0 96 0 - 9.9-17.3 Violated in 0 structures by 0.00 A. Peak 2434 from aliabs.peaks (2.60, 2.60, 26.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 79 + HB3 CYS 79 OK 100 100 - 100 Peak 2437 from aliabs.peaks (4.12, 4.12, 58.62 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ILE 80 + HA ILE 80 OK 100 100 - 100 HA CYS 79 + HA CYS 79 OK 45 45 - 100 HA GLN 101 + HA GLN 101 OK 43 43 - 100 Peak 2438 from aliabs.peaks (1.74, 4.12, 58.62 ppm; 4.74 A): 2 out of 13 assignments used, quality = 1.00: * HB ILE 80 + HA ILE 80 OK 100 100 100 100 2.4-2.9 3.0=100 HB ILE 80 + HA CYS 79 OK 51 60 85 100 4.9-6.5 7073/3.6=80, 9700/2.9=69...(29) HB3 LEU 70 - HA GLN 101 poor 18 39 45 - 5.1-7.5 HB2 LYS 39 - HA ILE 80 poor 16 65 25 - 4.6-11.1 HD3 LYS 39 - HA ILE 80 far 12 78 15 - 4.8-9.8 HB2 LYS 26 - HA GLN 101 far 3 52 5 - 4.6-24.8 HB2 LYS 39 - HA CYS 79 far 0 32 0 - 6.9-11.8 HG3 ARG 90 - HA ILE 80 far 0 100 0 - 7.1-12.4 HD3 LYS 39 - HA CYS 79 far 0 40 0 - 7.7-12.3 HG LEU 98 - HA GLN 101 far 0 32 0 - 8.2-9.7 HG13 ILE 129 - HA ILE 80 far 0 98 0 - 8.8-11.0 HG3 ARG 90 - HA CYS 79 far 0 60 0 - 9.0-12.8 HB2 ARG 23 - HA GLN 101 far 0 45 0 - 9.6-30.7 Violated in 0 structures by 0.00 A. Peak 2439 from aliabs.peaks (0.81, 4.12, 58.62 ppm; 3.96 A): 5 out of 15 assignments used, quality = 1.00: * QG2 ILE 80 + HA ILE 80 OK 100 100 100 100 2.2-3.0 3.2=100 HG13 ILE 80 + HA ILE 80 OK 100 100 100 100 2.2-4.0 4.1=93, 2.1/2472=77...(25) QG2 ILE 80 + HA CYS 79 OK 60 60 100 100 4.9-5.4 2451=45, 11212/3.0=38...(30) QD1 LEU 70 + HA GLN 101 OK 36 56 80 80 3.0-6.4 9489/3.8=19...(19) QG1 VAL 133 + HA ILE 80 OK 21 73 35 84 4.2-6.4 10586/2472=24...(21) HG13 ILE 80 - HA CYS 79 far 9 60 15 - 4.6-7.0 QD1 LEU 122 - HA GLN 101 far 0 53 0 - 5.9-8.5 QD2 LEU 122 - HA GLN 101 far 0 27 0 - 6.0-8.3 QG2 ILE 129 - HA ILE 80 far 0 98 0 - 6.0-7.4 QG1 VAL 133 - HA CYS 79 far 0 37 0 - 7.9-10.3 QG2 ILE 32 - HA GLN 101 far 0 35 0 - 8.1-17.9 QD2 LEU 49 - HA GLN 101 far 0 43 0 - 8.3-12.3 QD1 LEU 53 - HA GLN 101 far 0 38 0 - 8.8-15.4 QG2 ILE 129 - HA CYS 79 far 0 56 0 - 9.1-10.7 QD2 LEU 119 - HA GLN 101 far 0 32 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 2440 from aliabs.peaks (1.21, 4.12, 58.62 ppm; 4.71 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 80 + HA ILE 80 OK 100 100 100 100 2.4-4.3 4.1=100 QG2 VAL 77 + HA ILE 80 OK 67 71 95 100 4.8-6.3 2475/2472=34, ~9668=33...(28) HG12 ILE 80 - HA CYS 79 poor 18 60 30 - 4.2-7.4 QG2 VAL 77 - HA CYS 79 far 0 35 0 - 6.4-7.1 QG2 THR 83 - HA CYS 79 far 0 42 0 - 7.7-10.0 QG2 THR 83 - HA ILE 80 far 0 81 0 - 7.9-9.2 QG2 THR 65 - HA GLN 101 far 0 47 0 - 8.9-12.2 Violated in 0 structures by 0.00 A. Peak 2441 from aliabs.peaks (0.81, 4.12, 58.62 ppm; 3.99 A): 5 out of 15 assignments used, quality = 1.00: * HG13 ILE 80 + HA ILE 80 OK 100 100 100 100 2.2-4.0 4.1=95, 2.1/2472=78...(25) QG2 ILE 80 + HA ILE 80 OK 100 100 100 100 2.2-3.0 3.2=100 QG2 ILE 80 + HA CYS 79 OK 59 60 100 100 4.9-5.4 2451=46, 11212/3.0=39...(30) QD1 LEU 70 + HA GLN 101 OK 36 57 80 80 3.0-6.4 9489/3.8=19...(19) QG1 VAL 133 + HA ILE 80 OK 22 65 40 82 4.2-6.4 2.1/11758=23...(21) HG13 ILE 80 - HA CYS 79 far 9 60 15 - 4.6-7.0 QD1 LEU 122 - HA GLN 101 far 0 55 0 - 5.9-8.5 QD2 LEU 122 - HA GLN 101 far 0 32 0 - 6.0-8.3 QG2 ILE 129 - HA ILE 80 far 0 96 0 - 6.0-7.4 QG1 VAL 133 - HA CYS 79 far 0 32 0 - 7.9-10.3 QG2 ILE 32 - HA GLN 101 far 0 30 0 - 8.1-17.9 QD2 LEU 49 - HA GLN 101 far 0 47 0 - 8.3-12.3 QD1 LEU 53 - HA GLN 101 far 0 42 0 - 8.8-15.4 QG2 ILE 129 - HA CYS 79 far 0 53 0 - 9.1-10.7 QD2 LEU 119 - HA GLN 101 far 0 36 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 2442 from aliabs.peaks (0.27, 4.12, 58.62 ppm; 4.52 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 80 + HA ILE 80 OK 100 100 100 100 2.2-4.1 4.2=100 QD1 ILE 80 + HA CYS 79 OK 30 60 50 100 3.5-6.7 7077/3.6=69, 9699/2.9=53...(20) QG2 VAL 93 - HA ILE 80 far 0 76 0 - 7.2-9.0 QG2 VAL 93 - HA GLN 101 far 0 36 0 - 9.3-11.1 QG2 VAL 93 - HA CYS 79 far 0 39 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 2444 from aliabs.peaks (4.12, 1.74, 38.30 ppm; 5.20 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 80 + HB ILE 80 OK 100 100 100 100 2.4-2.9 3.0=100 HA CYS 79 + HB ILE 80 OK 85 85 100 100 4.9-6.5 3.6/7073=89, 2.9/9700=76...(29) HB THR 83 - HB ILE 80 far 0 65 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 2445 from aliabs.peaks (1.74, 1.74, 38.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HB ILE 80 OK 100 100 - 100 Peak 2446 from aliabs.peaks (0.81, 1.74, 38.30 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HB ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 80 + HB ILE 80 OK 100 100 100 100 2.3-3.0 3.0=100 QG1 VAL 133 - HB ILE 80 far 11 73 15 - 4.4-7.6 QG2 ILE 129 - HB ILE 80 far 0 98 0 - 5.6-7.4 Violated in 0 structures by 0.00 A. Peak 2447 from aliabs.peaks (1.21, 1.74, 38.30 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 80 + HB ILE 80 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 VAL 77 + HB ILE 80 OK 71 71 100 100 2.7-5.3 3.2/9730=40, 2.1/9651=34...(41) QG2 THR 83 - HB ILE 80 far 4 81 5 - 5.8-7.2 Violated in 0 structures by 0.00 A. Peak 2448 from aliabs.peaks (0.81, 1.74, 38.30 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 80 + HB ILE 80 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 ILE 80 + HB ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 133 - HB ILE 80 poor 16 65 25 - 4.4-7.6 QG2 ILE 129 - HB ILE 80 far 0 96 0 - 5.6-7.4 Violated in 0 structures by 0.00 A. Peak 2449 from aliabs.peaks (0.27, 1.74, 38.30 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 80 + HB ILE 80 OK 100 100 100 100 2.3-3.2 3.2=100 QG2 VAL 93 - HB ILE 80 far 0 76 0 - 6.7-8.0 Violated in 0 structures by 0.00 A. Peak 2450 from aliabs.peaks (6.95, 0.81, 17.00 ppm; 5.40 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + QG2 ILE 80 OK 100 100 100 100 1.8-3.5 4.0=100 H ILE 80 - QG2 ILE 129 far 4 88 5 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 2451 from aliabs.peaks (4.12, 0.81, 17.00 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.2-3.0 3.2=100 HA CYS 79 - QG2 ILE 80 far 4 85 5 - 4.9-5.4 HB THR 83 - QG2 ILE 80 far 0 65 0 - 5.1-9.2 HA ILE 80 - QG2 ILE 129 far 0 88 0 - 6.0-7.4 HA CYS 45 - QG2 ILE 129 far 0 82 0 - 8.5-11.0 HA CYS 79 - QG2 ILE 129 far 0 68 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 2452 from aliabs.peaks (1.74, 0.81, 17.00 ppm; 3.00 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 129 + QG2 ILE 129 OK 83 83 100 99 2.0-3.1 3.2=83, 2.1/4163=65...(22) HG3 ARG 90 - QG2 ILE 80 far 15 100 15 - 3.5-8.6 HG3 ARG 90 - QG2 ILE 129 far 0 87 0 - 5.4-7.7 HG13 ILE 129 - QG2 ILE 80 far 0 98 0 - 5.5-9.9 HB2 LYS 39 - QG2 ILE 80 far 0 65 0 - 5.6-12.1 HD3 LYS 39 - QG2 ILE 80 far 0 78 0 - 5.6-10.8 HB ILE 80 - QG2 ILE 129 far 0 88 0 - 5.6-7.4 HB3 LEU 70 - QG2 ILE 129 far 0 64 0 - 6.3-8.9 HB2 LYS 39 - QG2 ILE 129 far 0 51 0 - 7.4-10.4 HD3 LYS 39 - QG2 ILE 129 far 0 62 0 - 7.6-11.1 Violated in 0 structures by 0.00 A. Peak 2453 from aliabs.peaks (0.81, 0.81, 17.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 80 + QG2 ILE 80 OK 100 100 - 100 QG2 ILE 129 + QG2 ILE 129 OK 83 83 - 100 Peak 2454 from aliabs.peaks (1.21, 0.81, 17.00 ppm; 3.19 A): 4 out of 7 assignments used, quality = 1.00: * HG12 ILE 80 + QG2 ILE 80 OK 100 100 100 100 2.2-3.2 3.2=99, 2.1/2456=37...(19) QG2 VAL 77 + QG2 ILE 80 OK 66 71 95 99 2.0-4.9 2475/3.1=21, 9663/2.1=16...(52) QG2 VAL 77 + QG2 ILE 129 OK 29 56 85 60 3.8-4.9 2.1/11239=15...(15) QG2 THR 83 + QG2 ILE 80 OK 24 81 70 43 4.2-7.2 11241/9753=10...(9) HG12 ILE 80 - QG2 ILE 129 far 0 88 0 - 4.7-7.2 QG2 THR 65 - QG2 ILE 129 far 0 76 0 - 7.7-10.4 QG2 THR 83 - QG2 ILE 129 far 0 64 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 2455 from aliabs.peaks (0.81, 0.81, 17.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QG2 ILE 80 + QG2 ILE 80 OK 100 100 - 100 QG2 ILE 129 + QG2 ILE 129 OK 80 80 - 100 Reference assignment not found: HG13 ILE 80 - QG2 ILE 80 Peak 2456 from aliabs.peaks (0.27, 0.81, 17.00 ppm; 2.78 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 80 + QG2 ILE 80 OK 99 100 100 99 1.7-3.3 3.1=70, 2472/3.2=29...(43) QG2 VAL 93 + QG2 ILE 129 OK 53 60 95 93 1.9-4.9 10487/4163=22...(45) QD1 ILE 80 + QG2 ILE 129 OK 47 88 70 76 3.7-6.5 2474=17, 9749/10457=14...(28) QG2 VAL 93 - QG2 ILE 80 far 8 76 10 - 4.2-7.8 Violated in 0 structures by 0.00 A. Peak 2458 from aliabs.peaks (4.12, 1.21, 27.07 ppm; 4.64 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.4-4.3 4.1=100 HA CYS 79 + HG12 ILE 80 OK 21 85 25 100 4.2-7.4 3.6/7075=74, 2.9/9696=42...(20) HB THR 83 - HG12 ILE 80 far 0 65 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 2459 from aliabs.peaks (1.74, 1.21, 27.07 ppm; 4.55 A): 2 out of 5 assignments used, quality = 1.00: * HB ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 90 + HG12 ILE 80 OK 30 100 35 85 4.8-9.4 ~11244=32, 2473/2.1=29...(13) HG13 ILE 129 - HG12 ILE 80 far 0 98 0 - 6.5-11.3 HB2 LYS 39 - HG12 ILE 80 far 0 65 0 - 6.8-13.9 HD3 LYS 39 - HG12 ILE 80 far 0 78 0 - 7.0-12.7 Violated in 0 structures by 0.00 A. Peak 2460 from aliabs.peaks (0.81, 1.21, 27.07 ppm; 4.13 A): 4 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.2-3.2 3.2=100 HG13 ILE 80 + HG12 ILE 80 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 129 + HG12 ILE 80 OK 41 98 55 76 4.7-7.2 2456/2.1=23, 2454=18...(18) QG1 VAL 133 + HG12 ILE 80 OK 40 73 55 99 3.3-7.6 ~10588=50, ~10588=46...(29) Violated in 0 structures by 0.00 A. Peak 2461 from aliabs.peaks (1.21, 1.21, 27.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HG12 ILE 80 OK 100 100 - 100 Peak 2462 from aliabs.peaks (0.81, 1.21, 27.07 ppm; 3.64 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 80 + HG12 ILE 80 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 ILE 129 + HG12 ILE 80 OK 28 96 45 64 4.7-7.2 2456/2.1=20, 2454=15...(15) QG1 VAL 133 - HG12 ILE 80 poor 20 65 30 - 3.3-7.6 Violated in 0 structures by 0.00 A. Peak 2463 from aliabs.peaks (0.27, 1.21, 27.07 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 80 + HG12 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 93 - HG12 ILE 80 far 0 76 0 - 5.7-7.4 Violated in 0 structures by 0.00 A. Peak 2465 from aliabs.peaks (4.12, 0.81, 27.07 ppm; 4.73 A): 4 out of 9 assignments used, quality = 1.00: * HA ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.2-4.0 4.1=100 HA LEU 49 + QD2 LEU 49 OK 49 49 100 100 3.9-4.1 3.9=100 HA CYS 45 + QD2 LEU 49 OK 48 57 100 84 4.0-5.9 4.8/10951=32...(18) HA CYS 79 + HG13 ILE 80 OK 25 85 30 100 4.6-7.0 ~9699=43, ~9700=38...(21) HA LEU 48 - QD2 LEU 49 poor 15 38 40 - 6.0-6.5 HB THR 83 - HG13 ILE 80 far 0 65 0 - 7.0-9.9 HA ILE 32 - QD2 LEU 49 far 0 49 0 - 7.9-13.7 HA ALA 52 - QD2 LEU 49 far 0 59 0 - 8.0-8.5 HA GLN 101 - QD2 LEU 49 far 0 47 0 - 8.3-12.3 Violated in 0 structures by 0.00 A. Peak 2466 from aliabs.peaks (1.74, 0.81, 27.07 ppm; 4.22 A): 2 out of 12 assignments used, quality = 1.00: * HB ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 48 + QD2 LEU 49 OK 20 41 50 98 4.7-6.9 ~9205=39, 6600/5.0=27...(41) HG3 ARG 90 - HG13 ILE 80 far 10 100 10 - 5.1-10.4 HB3 LEU 70 - QD2 LEU 49 far 4 43 10 - 5.2-8.2 HD3 LYS 39 - HG13 ILE 80 far 0 78 0 - 5.8-13.2 HB2 LYS 39 - HG13 ILE 80 far 0 65 0 - 6.2-13.0 HG13 ILE 129 - HG13 ILE 80 far 0 98 0 - 7.0-11.6 HG13 ILE 129 - QD2 LEU 49 far 0 58 0 - 7.4-9.7 HB2 LYS 26 - QD2 LEU 49 far 0 57 0 - 8.0-15.8 HB2 LYS 24 - QD2 LEU 49 far 0 58 0 - 8.3-20.3 HB2 LYS 19 - QD2 LEU 49 far 0 58 0 - 8.4-26.9 HB2 LYS 31 - QD2 LEU 49 far 0 58 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 2467 from aliabs.peaks (0.81, 0.81, 27.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG13 ILE 80 + HG13 ILE 80 OK 100 100 - 100 QD2 LEU 49 + QD2 LEU 49 OK 47 47 - 100 Reference assignment not found: QG2 ILE 80 - HG13 ILE 80 Peak 2468 from aliabs.peaks (1.21, 0.81, 27.07 ppm; 3.66 A): 3 out of 5 assignments used, quality = 1.00: * HG12 ILE 80 + HG13 ILE 80 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 VAL 77 + HG13 ILE 80 OK 71 71 100 100 4.1-5.1 2475/2.1=34, ~9719=30...(54) QG2 THR 65 + QD2 LEU 49 OK 51 51 100 99 1.7-3.4 10966/2.1=69...(31) QG2 THR 83 - HG13 ILE 80 far 0 81 0 - 5.4-8.0 QG2 VAL 77 - QD2 LEU 49 far 0 36 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 2469 from aliabs.peaks (0.81, 0.81, 27.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 80 + HG13 ILE 80 OK 100 100 - 100 QD2 LEU 49 + QD2 LEU 49 OK 51 51 - 100 Peak 2470 from aliabs.peaks (0.27, 0.81, 27.07 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 80 + HG13 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 93 - QD2 LEU 49 far 0 39 0 - 6.1-8.6 QG2 VAL 93 - HG13 ILE 80 far 0 76 0 - 6.5-8.7 QD1 ILE 80 - QD2 LEU 49 far 0 61 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 2472 from aliabs.peaks (4.12, 0.27, 13.24 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.99: * HA ILE 80 + QD1 ILE 80 OK 99 100 100 99 2.2-4.1 4.2=68, 3.0/7077=55...(22) HA CYS 79 - QD1 ILE 80 poor 17 85 20 - 3.5-6.7 HB THR 83 - QD1 ILE 80 far 0 65 0 - 6.6-8.6 Violated in 13 structures by 0.11 A. Peak 2473 from aliabs.peaks (1.74, 0.27, 13.24 ppm; 3.28 A): 2 out of 5 assignments used, quality = 1.00: * HB ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.3-3.2 3.2=100 HG3 ARG 90 + QD1 ILE 80 OK 32 100 35 92 2.4-7.0 11932/9719=21...(21) HG13 ILE 129 - QD1 ILE 80 far 5 98 5 - 4.7-9.7 HD3 LYS 39 - QD1 ILE 80 far 0 78 0 - 6.7-11.4 HB2 LYS 39 - QD1 ILE 80 far 0 65 0 - 7.1-11.3 Violated in 0 structures by 0.00 A. Peak 2474 from aliabs.peaks (0.81, 0.27, 13.24 ppm; 2.92 A): 4 out of 6 assignments used, quality = 1.00: HG13 ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 * QG2 ILE 80 + QD1 ILE 80 OK 100 100 100 100 1.7-3.3 3.1=81, 3.2/2472=33...(43) QG2 ILE 129 + QD1 ILE 80 OK 62 98 75 84 3.7-6.5 2456=24, 10457/9749=18...(30) QG1 VAL 133 + QD1 ILE 80 OK 44 73 65 92 2.7-6.1 2.1/10588=40...(36) QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 8.0-12.4 QD2 LEU 49 - QD1 ILE 80 far 0 87 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 2475 from aliabs.peaks (1.21, 0.27, 13.24 ppm; 3.03 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 77 + QD1 ILE 80 OK 71 71 100 100 1.7-3.3 3.2/9725=41, 2.1/9719=38...(56) QG2 THR 83 - QD1 ILE 80 far 0 81 0 - 5.0-6.7 Violated in 0 structures by 0.00 A. Peak 2476 from aliabs.peaks (0.81, 0.27, 13.24 ppm; 3.03 A): 4 out of 6 assignments used, quality = 1.00: * HG13 ILE 80 + QD1 ILE 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 80 + QD1 ILE 80 OK 100 100 100 100 1.7-3.3 3.1=91, 3.2/2472=36...(46) QG2 ILE 129 + QD1 ILE 80 OK 65 96 80 85 3.7-6.5 2456=24, 10457/9749=19...(30) QG1 VAL 133 + QD1 ILE 80 OK 46 65 75 93 2.7-6.1 2.1/10588=44...(38) QD1 LEU 70 - QD1 ILE 80 far 0 100 0 - 8.0-12.4 QD2 LEU 49 - QD1 ILE 80 far 0 92 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 2477 from aliabs.peaks (0.27, 0.27, 13.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + QD1 ILE 80 OK 100 100 - 100 Peak 2478 from aliabs.peaks (4.12, 3.85, 50.95 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 80 + HD2 PRO 81 OK 100 100 100 100 2.3-2.7 3.8=100 HA3 GLY 114 - HD2 PRO 117 far 0 98 0 - 5.7-10.1 HA CYS 79 - HD2 PRO 81 far 0 85 0 - 6.4-7.2 HB THR 83 - HD2 PRO 81 far 0 65 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 2479 from aliabs.peaks (3.85, 4.12, 58.62 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 81 + HA ILE 80 OK 100 100 100 100 2.3-2.7 3.8=100 HD2 PRO 81 - HA CYS 79 far 0 60 0 - 6.4-7.2 HA LEU 70 - HA GLN 101 far 0 27 0 - 7.4-9.6 HA GLU 40 - HA ILE 80 far 0 78 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 2480 from aliabs.peaks (4.12, 4.04, 50.95 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 80 + HD3 PRO 81 OK 100 100 100 100 2.2-2.5 3.8=100 HA CYS 79 - HD3 PRO 81 far 0 85 0 - 6.5-7.0 HB THR 83 - HD3 PRO 81 far 0 65 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 2481 from aliabs.peaks (4.04, 4.12, 58.62 ppm; 4.74 A): 2 out of 12 assignments used, quality = 1.00: * HD3 PRO 81 + HA ILE 80 OK 100 100 100 100 2.2-2.5 3.8=100 HA GLU 102 + HA GLN 101 OK 50 50 100 100 4.6-4.7 4.8=97, ~7449=42...(14) HA LEU 103 - HA GLN 101 far 0 38 0 - 6.4-7.0 HD3 PRO 81 - HA CYS 79 far 0 60 0 - 6.5-7.0 HA ILE 37 - HA ILE 80 far 0 90 0 - 7.7-15.6 HA LEU 96 - HA GLN 101 far 0 45 0 - 7.8-9.0 HA LEU 122 - HA GLN 101 far 0 56 0 - 8.4-9.8 HB3 SER 74 - HA GLN 101 far 0 36 0 - 8.6-10.8 HB2 SER 74 - HA GLN 101 far 0 42 0 - 8.6-11.0 HA ARG 135 - HA ILE 80 far 0 85 0 - 8.6-12.0 HA ILE 37 - HA CYS 79 far 0 49 0 - 9.1-17.6 HA LYS 95 - HA GLN 101 far 0 50 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 2482 from aliabs.peaks (2.01, 3.85, 50.95 ppm; 4.30 A): 3 out of 8 assignments used, quality = 1.00: * HG2 PRO 81 + HD2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 117 + HD2 PRO 117 OK 98 98 100 100 3.0-4.0 3.0=100 HB2 PRO 81 + HD2 PRO 81 OK 38 38 100 100 3.0-4.0 3.0=100 HG3 ARG 135 - HD2 PRO 81 far 0 68 0 - 5.9-8.6 HG2 ARG 90 - HD2 PRO 81 far 0 90 0 - 7.0-12.3 HB2 GLN 134 - HD2 PRO 81 far 0 93 0 - 7.6-11.1 HB ILE 129 - HD2 PRO 81 far 0 100 0 - 8.3-11.4 HB3 GLU 40 - HD2 PRO 81 far 0 92 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 2483 from aliabs.peaks (2.05, 3.85, 50.95 ppm; 3.88 A): 5 out of 13 assignments used, quality = 1.00: * HG3 PRO 81 + HD2 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HG3 PRO 117 + HD2 PRO 117 OK 98 98 100 100 2.3-3.0 2.3=100 HG2 PRO 117 + HD2 PRO 117 OK 98 98 100 100 2.3-3.0 2.3=100 HB2 PRO 81 + HD2 PRO 81 OK 70 70 100 100 3.0-4.0 3.0=100 HB VAL 118 + HD2 PRO 117 OK 21 86 25 98 4.5-6.4 4.0/7637=35...(21) HB3 LYS 39 - HD2 PRO 81 poor 15 60 25 - 3.7-9.9 HG3 ARG 135 - HD2 PRO 81 far 0 89 0 - 5.9-8.6 HG3 GLN 134 - HD2 PRO 81 far 0 65 0 - 6.5-10.6 HG2 ARG 90 - HD2 PRO 81 far 0 65 0 - 7.0-12.3 HG3 PRO 113 - HD2 PRO 117 far 0 95 0 - 7.5-13.6 HB2 GLN 134 - HD2 PRO 81 far 0 60 0 - 7.6-11.1 HB2 LEU 62 - HD2 PRO 117 far 0 95 0 - 9.4-18.0 HB3 GLU 40 - HD2 PRO 81 far 0 63 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 2484 from aliabs.peaks (3.85, 3.85, 50.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 81 + HD2 PRO 81 OK 100 100 - 100 HD2 PRO 117 + HD2 PRO 117 OK 97 97 - 100 Peak 2485 from aliabs.peaks (4.04, 3.85, 50.95 ppm; 3.63 A): 1 out of 6 assignments used, quality = 1.00: * HD3 PRO 81 + HD2 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 103 - HD2 PRO 117 far 4 73 5 - 5.1-11.6 HA ARG 135 - HD2 PRO 81 far 0 85 0 - 6.5-9.6 HA LEU 119 - HD2 PRO 117 far 0 92 0 - 7.7-9.3 HA ILE 37 - HD2 PRO 81 far 0 90 0 - 9.4-16.1 HA GLU 102 - HD2 PRO 117 far 0 91 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 2486 from aliabs.peaks (2.01, 4.04, 50.95 ppm; 4.35 A): 2 out of 9 assignments used, quality = 1.00: * HG2 PRO 81 + HD3 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 81 + HD3 PRO 81 OK 38 38 100 100 3.0-3.9 3.0=100 HG3 ARG 135 - HD3 PRO 81 far 0 68 0 - 6.1-9.6 HB2 GLN 134 - HD3 PRO 81 far 0 93 0 - 7.6-10.6 HB3 GLU 40 - HD3 PRO 81 far 0 92 0 - 8.3-14.5 HG2 ARG 90 - HD3 PRO 81 far 0 90 0 - 8.7-13.9 HB ILE 129 - HD3 PRO 81 far 0 100 0 - 8.9-12.0 HB3 MET 11 - HD3 PRO 81 far 0 99 0 - 9.5-46.4 QE MET 11 - HD3 PRO 81 far 0 81 0 - 9.8-38.9 Violated in 0 structures by 0.00 A. Peak 2487 from aliabs.peaks (2.05, 4.04, 50.95 ppm; 4.24 A): 2 out of 9 assignments used, quality = 1.00: * HG3 PRO 81 + HD3 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 81 + HD3 PRO 81 OK 70 70 100 100 3.0-3.9 3.0=100 HB3 LYS 39 - HD3 PRO 81 poor 15 60 50 50 2.4-11.3 10871/10877=6, ~11591=6...(16) HG3 ARG 135 - HD3 PRO 81 far 0 89 0 - 6.1-9.6 HG3 GLN 134 - HD3 PRO 81 far 0 65 0 - 6.8-10.7 HB2 GLN 134 - HD3 PRO 81 far 0 60 0 - 7.6-10.6 HB3 GLU 40 - HD3 PRO 81 far 0 63 0 - 8.3-14.5 HG2 ARG 90 - HD3 PRO 81 far 0 65 0 - 8.7-13.9 QE MET 11 - HD3 PRO 81 far 0 78 0 - 9.8-38.9 Violated in 0 structures by 0.00 A. Peak 2488 from aliabs.peaks (3.85, 4.04, 50.95 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 81 + HD3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLU 40 - HD3 PRO 81 far 0 78 0 - 7.6-12.7 Violated in 0 structures by 0.00 A. Peak 2489 from aliabs.peaks (4.04, 4.04, 50.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 81 + HD3 PRO 81 OK 100 100 - 100 Peak 2490 from aliabs.peaks (2.01, 2.01, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 81 + HG2 PRO 81 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 99 99 - 100 HG3 PRO 56 + HG3 PRO 56 OK 97 97 - 100 Peak 2491 from aliabs.peaks (2.05, 2.01, 27.30 ppm; 2.50 A): 3 out of 17 assignments used, quality = 1.00: * HG3 PRO 81 + HG2 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 81 + HG2 PRO 81 OK 70 70 100 100 2.3-3.0 2.3=100 HB3 GLU 55 + HG2 PRO 56 OK 56 97 75 77 3.5-6.2 1716=28, 9282/2.3=11...(30) HG3 PRO 113 - HG3 PRO 56 far 5 96 5 - 3.4-17.6 HB3 GLU 55 - HG3 PRO 56 far 0 96 0 - 4.4-6.9 HB3 LYS 39 - HG2 PRO 81 far 0 60 0 - 4.4-12.7 HG3 ARG 135 - HG2 PRO 81 far 0 89 0 - 4.6-7.5 HG3 PRO 113 - HG2 PRO 56 far 0 97 0 - 4.8-18.0 HG3 GLN 134 - HG2 PRO 81 far 0 65 0 - 6.2-11.1 HB2 GLN 134 - HG2 PRO 81 far 0 60 0 - 6.8-10.3 HG2 ARG 90 - HG2 PRO 81 far 0 65 0 - 8.0-14.7 HG2 PRO 58 - HG2 PRO 56 far 0 73 0 - 8.4-9.7 HG3 PRO 58 - HG2 PRO 56 far 0 91 0 - 9.0-9.7 HB3 GLU 40 - HG2 PRO 81 far 0 63 0 - 9.4-15.6 HB2 LEU 62 - HG2 PRO 56 far 0 97 0 - 9.6-11.9 HG2 PRO 58 - HG3 PRO 56 far 0 72 0 - 9.7-11.1 QE MET 11 - HG2 PRO 56 far 0 76 0 - 9.8-39.6 Violated in 0 structures by 0.00 A. Peak 2492 from aliabs.peaks (3.85, 2.01, 27.30 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 81 + HG2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HA GLU 40 - HG2 PRO 81 far 0 78 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 2493 from aliabs.peaks (4.04, 2.01, 27.30 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 81 + HG2 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 135 - HG2 PRO 81 far 13 85 15 - 4.8-8.4 Violated in 0 structures by 0.00 A. Peak 2494 from aliabs.peaks (2.01, 2.05, 27.30 ppm; 2.50 A): 4 out of 21 assignments used, quality = 1.00: * HG2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 81 + HG3 PRO 81 OK 38 38 100 100 2.3-3.0 2.3=100 HB2 GLN 134 - HG3 ARG 135 far 6 60 10 - 3.5-7.3 HG3 PRO 56 - HG3 PRO 113 far 4 83 5 - 3.4-17.6 HB3 PRO 56 - HG3 PRO 113 far 4 82 5 - 3.7-15.7 HG3 ARG 135 - HG3 PRO 81 far 0 68 0 - 4.3-8.0 HG2 PRO 81 - HG3 ARG 135 far 0 70 0 - 4.6-7.5 HG2 PRO 56 - HG3 PRO 113 far 0 84 0 - 4.8-18.0 HB2 GLU 55 - HG3 PRO 113 far 0 71 0 - 5.6-19.7 HB2 PRO 81 - HG3 ARG 135 far 0 21 0 - 5.9-9.9 HB2 GLN 134 - HG3 PRO 81 far 0 93 0 - 6.1-11.4 HG2 PRO 58 - HG3 PRO 113 far 0 63 0 - 6.2-16.9 HB VAL 63 - HG3 PRO 113 far 0 72 0 - 7.5-16.6 HB3 GLU 40 - HG3 PRO 81 far 0 92 0 - 7.7-16.9 QE MET 11 - HG3 PRO 113 far 0 61 0 - 8.2-44.5 HB3 LEU 53 - HG3 PRO 113 far 0 75 0 - 8.4-19.5 HB ILE 129 - HG3 PRO 81 far 0 100 0 - 8.9-13.1 HB ILE 129 - HG3 ARG 135 far 0 69 0 - 9.2-12.4 HG2 ARG 90 - HG3 PRO 81 far 0 90 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 2495 from aliabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 81 81 - 100 HG3 ARG 135 + HG3 ARG 135 OK 55 55 - 100 Peak 2496 from aliabs.peaks (3.85, 2.05, 27.30 ppm; 3.84 A): 3 out of 8 assignments used, quality = 1.00: * HD2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 81 - HG3 ARG 135 far 0 70 0 - 5.9-8.6 HA GLU 40 - HG3 PRO 81 far 0 78 0 - 7.1-15.0 HD2 PRO 117 - HG3 PRO 113 far 0 83 0 - 7.5-13.6 HA LEU 62 - HG3 PRO 113 far 0 69 0 - 8.4-16.7 HA GLU 40 - HG3 ARG 135 far 0 47 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 2497 from aliabs.peaks (4.04, 2.05, 27.30 ppm; 3.76 A): 2 out of 20 assignments used, quality = 1.00: * HD3 PRO 81 + HG3 PRO 81 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 135 + HG3 ARG 135 OK 52 52 100 100 2.7-3.6 4.2=74, 4308/1.8=66...(15) HA ARG 135 - HG3 PRO 81 poor 17 85 20 - 4.3-9.3 HA LEU 103 - HG3 PRO 113 far 0 59 0 - 5.6-17.0 HA LEU 103 - HG2 PRO 117 far 0 78 0 - 6.1-12.5 HD3 PRO 81 - HG3 ARG 135 far 0 70 0 - 6.1-9.6 HA LEU 103 - HG3 PRO 117 far 0 78 0 - 6.5-13.9 HA SER 60 - HG3 PRO 113 far 0 48 0 - 7.2-16.4 HA LEU 119 - HG2 PRO 117 far 0 96 0 - 7.4-9.3 HA LEU 119 - HG3 PRO 113 far 0 78 0 - 7.5-14.9 HA LEU 119 - HG3 PRO 117 far 0 96 0 - 7.7-9.8 HA LEU 122 - HG2 PRO 117 far 0 100 0 - 8.5-11.3 HA GLU 102 - HG2 PRO 117 far 0 95 0 - 8.5-14.8 HA LEU 96 - HG2 PRO 117 far 0 88 0 - 8.6-14.3 HA LEU 122 - HG3 PRO 117 far 0 100 0 - 8.8-11.7 HA LYS 95 - HG2 PRO 117 far 0 95 0 - 8.9-14.9 HA LEU 96 - HG3 PRO 117 far 0 88 0 - 9.3-13.4 HA GLU 102 - HG3 PRO 117 far 0 95 0 - 9.4-16.4 HB3 SER 124 - HG2 PRO 117 far 0 73 0 - 9.6-11.8 HB3 SER 124 - HG3 PRO 117 far 0 73 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 2498 from aliabs.peaks (2.43, 2.43, 33.48 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLN 82 + HG2 GLN 82 OK 100 100 - 100 HG3 GLN 82 + HG3 GLN 82 OK 99 99 - 100 HG2 GLN 101 + HG2 GLN 101 OK 99 99 - 100 HG2 GLU 55 + HG2 GLU 55 OK 35 35 - 100 Peak 2499 from aliabs.peaks (2.44, 2.43, 33.48 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 GLN 82 + HG2 GLN 82 OK 100 100 - 100 HG3 GLN 82 + HG3 GLN 82 OK 99 99 - 100 HG2 GLN 101 + HG2 GLN 101 OK 97 97 - 100 HG2 GLU 55 + HG2 GLU 55 OK 39 39 - 100 Reference assignment not found: HG3 GLN 82 - HG2 GLN 82 Peak 2501 from aliabs.peaks (7.64, 2.43, 33.48 ppm; 5.38 A): 2 out of 3 assignments used, quality = 1.00: * HE22 GLN 82 + HG2 GLN 82 OK 100 100 100 100 2.1-3.5 3.5=100 HE22 GLN 82 + HG3 GLN 82 OK 99 99 100 100 2.1-3.6 3.5=100 H VAL 105 - HG2 GLN 101 poor 19 80 30 80 5.3-8.9 3.9/11503=72...(3) Violated in 0 structures by 0.00 A. Peak 2502 from aliabs.peaks (2.43, 2.44, 33.48 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 82 + HG3 GLN 82 OK 100 100 - 100 HG2 GLN 82 + HG2 GLN 82 OK 99 99 - 100 HG2 GLN 101 + HG2 GLN 101 OK 94 94 - 100 HG2 GLU 55 + HG2 GLU 55 OK 45 45 - 100 Reference assignment not found: HG2 GLN 82 - HG3 GLN 82 Peak 2503 from aliabs.peaks (2.44, 2.44, 33.48 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 82 + HG3 GLN 82 OK 100 100 - 100 HG2 GLN 82 + HG2 GLN 82 OK 99 99 - 100 HG2 GLN 101 + HG2 GLN 101 OK 92 92 - 100 HG2 GLU 55 + HG2 GLU 55 OK 50 50 - 100 Peak 2506 from aliabs.peaks (3.74, 3.74, 66.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 83 + HA THR 83 OK 100 100 - 100 Peak 2507 from aliabs.peaks (4.15, 3.74, 66.49 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 83 + HA THR 83 OK 100 100 100 100 3.0-3.0 3.0=100 HA ILE 80 - HA THR 83 far 0 65 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. Peak 2508 from aliabs.peaks (1.23, 3.74, 66.49 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 83 + HA THR 83 OK 100 100 100 100 2.1-2.4 3.2=100 HG12 ILE 80 - HA THR 83 far 12 81 15 - 4.2-7.5 Violated in 0 structures by 0.00 A. Peak 2511 from aliabs.peaks (1.79, 3.74, 66.49 ppm; 4.80 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HA THR 83 OK 100 100 100 100 1.8-2.5 2624=100, 11312/2517=81...(23) HB2 ARG 84 + HA THR 83 OK 60 92 65 100 5.5-6.6 2533/3.6=64...(24) HB3 ARG 135 - HA THR 83 far 0 73 0 - 7.1-12.2 Violated in 0 structures by 0.00 A. Peak 2512 from aliabs.peaks (1.96, 3.74, 66.49 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HA THR 83 OK 100 100 100 100 2.2-3.9 1.8/2624=93, 2636=74...(19) HB3 PRO 81 - HA THR 83 far 0 100 0 - 6.6-8.2 HB3 ARG 90 - HA THR 83 far 0 99 0 - 7.5-10.4 Violated in 0 structures by 0.00 A. Peak 2513 from aliabs.peaks (3.74, 4.15, 68.45 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 83 + HB THR 83 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2514 from aliabs.peaks (4.15, 4.15, 68.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 83 + HB THR 83 OK 100 100 - 100 Peak 2515 from aliabs.peaks (1.23, 4.15, 68.45 ppm; 2.82 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 83 + HB THR 83 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 80 - HB THR 83 far 0 81 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 2517 from aliabs.peaks (3.74, 1.23, 22.04 ppm; 2.97 A): 1 out of 2 assignments used, quality = 0.98: * HA THR 83 + QG2 THR 83 OK 98 100 100 98 2.1-2.4 3.2=80, 2.8/9775=35...(15) HA VAL 133 - QG2 THR 83 far 0 65 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 2518 from aliabs.peaks (4.15, 1.23, 22.04 ppm; 2.57 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 83 + QG2 THR 83 OK 100 100 100 100 2.1-2.1 2.1=100 HA ILE 80 - QG2 THR 83 far 0 65 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 2519 from aliabs.peaks (1.23, 1.23, 22.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 83 + QG2 THR 83 OK 100 100 - 100 Peak 2520 from aliabs.peaks (8.99, 1.23, 22.04 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 84 + QG2 THR 83 OK 100 100 100 100 3.4-3.8 4.3=100 Violated in 0 structures by 0.00 A. Peak 2522 from aliabs.peaks (4.25, 4.25, 58.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 84 + HA ARG 84 OK 100 100 - 100 Peak 2523 from aliabs.peaks (1.81, 4.25, 58.88 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 86 + HA ARG 84 OK 34 92 45 82 4.8-5.5 11312/9782=32...(11) HB3 ARG 135 - HA ARG 84 far 0 98 0 - 7.5-11.2 Violated in 0 structures by 0.00 A. Peak 2524 from aliabs.peaks (1.90, 4.25, 58.88 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 135 - HA ARG 84 far 0 92 0 - 7.4-12.0 HB2 ARG 90 - HA ARG 84 far 0 98 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 2525 from aliabs.peaks (1.64, 4.25, 58.88 ppm; 4.06 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.5-4.0 3.9=100 HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.7-4.2 3.9=100 QB ALA 88 + HA ARG 84 OK 33 68 70 69 5.1-5.8 3.0/7173=29, 2750/4.9=24...(9) HD2 LYS 86 - HA ARG 84 far 0 85 0 - 5.9-9.0 HD3 LYS 86 - HA ARG 84 far 0 90 0 - 6.3-9.0 Violated in 0 structures by 0.00 A. Peak 2526 from aliabs.peaks (1.64, 4.25, 58.88 ppm; 4.06 A): 3 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.7-4.2 3.9=100 HG2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.5-4.0 3.9=100 QB ALA 88 + HA ARG 84 OK 38 76 70 72 5.1-5.8 3.0/7173=29, 2750/4.9=29...(10) HD2 LYS 86 - HA ARG 84 far 0 90 0 - 5.9-9.0 HD3 LYS 86 - HA ARG 84 far 0 95 0 - 6.3-9.0 Violated in 0 structures by 0.00 A. Peak 2527 from aliabs.peaks (3.19, 4.25, 58.88 ppm; 4.50 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.0-5.1 5.0=74, 2.9/11859=54...(31) * HD2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.8-5.4 5.0=74, 2.9/11859=54...(31) HD3 ARG 90 - HA ARG 84 far 0 68 0 - 7.4-11.2 HB3 HIS 3 - HA ARG 84 far 0 63 0 - 7.8-75.9 HD2 ARG 90 - HA ARG 84 far 0 76 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 2528 from aliabs.peaks (3.19, 4.25, 58.88 ppm; 4.50 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.0-5.1 5.0=74, 2.9/11859=54...(31) HD2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.8-5.4 5.0=74, 2.9/11859=54...(31) HD3 ARG 90 - HA ARG 84 far 0 68 0 - 7.4-11.2 HB3 HIS 3 - HA ARG 84 far 0 63 0 - 7.8-75.9 HD2 ARG 90 - HA ARG 84 far 0 76 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 2529 from aliabs.peaks (7.28, 4.25, 58.88 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 85 + HA ARG 84 OK 100 100 100 100 3.5-3.6 3.6=100 QE PHE 87 - HA ARG 84 far 15 98 15 - 3.7-7.6 Violated in 0 structures by 0.00 A. Peak 2531 from aliabs.peaks (3.23, 4.25, 58.88 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: HB3 PHE 87 + HA ARG 84 OK 96 99 100 97 3.4-4.6 4.0/2530=57...(17) * HB2 PHE 87 + HA ARG 84 OK 96 100 100 96 3.6-5.2 4.0/2530=57, 2725=28...(18) HD3 ARG 135 - HA ARG 84 far 0 99 0 - 6.6-10.9 Violated in 0 structures by 0.00 A. Peak 2532 from aliabs.peaks (3.23, 4.25, 58.88 ppm; 4.54 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 87 + HA ARG 84 OK 96 100 100 96 3.4-4.6 4.0/2530=55, 2734=29...(17) HB2 PHE 87 + HA ARG 84 OK 94 99 100 95 3.6-5.2 4.0/2530=55, 2725=28...(17) HD3 ARG 135 - HA ARG 84 far 0 100 0 - 6.6-10.9 Violated in 0 structures by 0.00 A. Peak 2534 from aliabs.peaks (4.25, 1.81, 29.11 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HA PHE 87 - HB2 ARG 84 far 0 73 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 2535 from aliabs.peaks (1.81, 1.81, 29.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 Peak 2536 from aliabs.peaks (1.90, 1.81, 29.11 ppm; 2.82 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 135 - HB2 ARG 84 far 0 92 0 - 4.9-11.3 Violated in 0 structures by 0.00 A. Peak 2537 from aliabs.peaks (1.64, 1.81, 29.11 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 68 0 - 5.1-6.8 HD3 LYS 86 - HB2 ARG 84 far 0 90 0 - 7.1-10.8 HD2 LYS 86 - HB2 ARG 84 far 0 85 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 2538 from aliabs.peaks (1.64, 1.81, 29.11 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HB2 ARG 84 far 0 76 0 - 5.1-6.8 HD3 LYS 86 - HB2 ARG 84 far 0 95 0 - 7.1-10.8 HD2 LYS 86 - HB2 ARG 84 far 0 90 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 2539 from aliabs.peaks (3.19, 1.81, 29.11 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=90, 1.8/2580=40...(25) * HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.5-4.0 4.0=90, 1.8/2580=40...(25) HB3 HIS 3 - HB2 ARG 84 far 0 63 0 - 6.1-76.3 HD3 ARG 90 - HB2 ARG 84 far 0 68 0 - 9.4-13.2 HD2 ARG 90 - HB2 ARG 84 far 0 76 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2540 from aliabs.peaks (3.19, 1.81, 29.11 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=90, 1.8/2580=40...(25) HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.5-4.0 4.0=90, 1.8/2580=40...(25) HB3 HIS 3 - HB2 ARG 84 far 0 63 0 - 6.1-76.3 HD3 ARG 90 - HB2 ARG 84 far 0 68 0 - 9.4-13.2 HD2 ARG 90 - HB2 ARG 84 far 0 76 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2543 from aliabs.peaks (4.25, 1.90, 29.11 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HA PHE 87 - HB3 ARG 84 far 0 73 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 2544 from aliabs.peaks (1.81, 1.90, 29.11 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 135 - HB3 ARG 84 far 0 98 0 - 5.3-9.7 HB2 LYS 86 - HB3 ARG 84 far 0 92 0 - 5.8-7.0 Violated in 0 structures by 0.00 A. Peak 2545 from aliabs.peaks (1.90, 1.90, 29.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 Peak 2546 from aliabs.peaks (1.64, 1.90, 29.11 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 88 - HB3 ARG 84 far 0 68 0 - 6.1-7.1 HD3 LYS 86 - HB3 ARG 84 far 0 90 0 - 6.5-10.4 HD2 LYS 86 - HB3 ARG 84 far 0 85 0 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 2547 from aliabs.peaks (1.64, 1.90, 29.11 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 88 - HB3 ARG 84 far 0 76 0 - 6.1-7.1 HD3 LYS 86 - HB3 ARG 84 far 0 95 0 - 6.5-10.4 HD2 LYS 86 - HB3 ARG 84 far 0 90 0 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 2548 from aliabs.peaks (3.19, 1.90, 29.11 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-4.2 4.0=87, 2580/1.8=39...(25) HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.8 4.0=87, 2580/1.8=39...(25) HB3 HIS 3 - HB3 ARG 84 far 0 63 0 - 5.5-77.5 HD3 ARG 90 - HB3 ARG 84 far 0 68 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 2549 from aliabs.peaks (3.19, 1.90, 29.11 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.2-4.2 4.0=87, 2580/1.8=39...(25) * HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.8 4.0=87, 2580/1.8=39...(25) HB3 HIS 3 - HB3 ARG 84 far 0 63 0 - 5.5-77.5 HD3 ARG 90 - HB3 ARG 84 far 0 68 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 2552 from aliabs.peaks (4.25, 1.64, 26.79 ppm; 3.83 A): 3 out of 24 assignments used, quality = 1.00: * HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-4.0 3.9=96, 11859/3.6=34...(34) HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.7-4.2 3.9=96, 11859/3.6=34...(33) HA LEU 22 + HG LEU 22 OK 55 55 100 100 2.2-4.1 4.3=72, 373/2.1=66...(21) HA LEU 22 - HG3 ARG 23 poor 13 44 30 - 3.9-7.1 HA ALA 28 - HG3 ARG 23 poor 12 59 20 - 3.4-15.3 HA LYS 19 - HG LEU 22 poor 10 44 60 36 2.6-10.7 409/2.1=10, ~10720=6...(12) HA GLN 27 - HG3 ARG 23 far 3 59 5 - 5.2-13.7 HA LYS 19 - HG3 ARG 23 far 2 35 5 - 5.1-11.2 HA SER 99 - HG LEU 119 far 0 43 0 - 5.7-10.9 HB THR 115 - HG LEU 119 far 0 36 0 - 5.7-9.3 HA ALA 28 - HG LEU 22 far 0 73 0 - 5.8-19.0 HA LYS 26 - HG3 ARG 23 far 0 39 0 - 5.9-12.3 HA SER 51 - HG3 ARG 23 far 0 29 0 - 6.7-33.0 HA ALA 29 - HG3 ARG 23 far 0 44 0 - 7.4-17.7 HA PHE 87 - HG2 ARG 84 far 0 73 0 - 7.7-9.7 HA LYS 31 - HG LEU 22 far 0 46 0 - 7.8-23.7 HA LYS 31 - HG3 ARG 23 far 0 36 0 - 7.8-22.1 HA PHE 87 - HG3 ARG 84 far 0 72 0 - 7.9-9.7 HA GLN 27 - HG LEU 22 far 0 73 0 - 8.3-16.7 HA GLN 27 - HG LEU 43 far 0 86 0 - 8.4-24.5 HA SER 99 - HG3 ARG 23 far 0 39 0 - 9.0-37.8 HA LYS 26 - HG LEU 22 far 0 50 0 - 9.3-13.8 HA ALA 28 - HG LEU 43 far 0 86 0 - 9.8-25.0 HA SER 51 - HG LEU 119 far 0 31 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 2553 from aliabs.peaks (1.81, 1.64, 26.79 ppm; 3.00 A): 3 out of 28 assignments used, quality = 1.00: * HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 55 55 100 100 2.2-3.0 3.0=100 HB3 LYS 19 - HG LEU 22 far 11 73 15 - 3.5-10.7 HB3 LYS 19 - HG3 ARG 23 far 3 59 5 - 3.4-12.2 HB3 ARG 135 - HG3 ARG 84 far 0 97 0 - 4.6-8.6 HB3 ARG 135 - HG2 ARG 84 far 0 98 0 - 4.7-10.1 HB3 LYS 26 - HG3 ARG 23 far 0 57 0 - 4.8-14.3 HB3 LYS 24 - HG LEU 22 far 0 71 0 - 4.9-9.8 HB2 LYS 86 - HG3 ARG 84 far 0 91 0 - 5.4-8.3 HB3 LYS 31 - HG3 ARG 23 far 0 59 0 - 5.5-21.5 HB2 LYS 36 - HG3 ARG 23 far 0 56 0 - 5.5-28.1 HB2 LYS 86 - HG2 ARG 84 far 0 92 0 - 5.5-8.0 HB3 LEU 103 - HG LEU 119 far 0 52 0 - 5.8-10.5 HB3 ARG 23 - HG LEU 22 far 0 69 0 - 6.2-8.2 HB3 LYS 24 - HG3 ARG 23 far 0 58 0 - 6.4-8.9 HB3 LYS 31 - HG LEU 22 far 0 72 0 - 6.9-22.8 HB ILE 32 - HG3 ARG 23 far 0 59 0 - 7.2-21.7 HB3 LEU 122 - HG LEU 119 far 0 48 0 - 7.2-9.8 HB3 LEU 98 - HG3 ARG 23 far 0 33 0 - 7.5-37.9 HB3 LYS 26 - HG LEU 22 far 0 71 0 - 7.9-15.3 HB2 LEU 100 - HG LEU 119 far 0 56 0 - 8.2-11.9 HB2 LYS 36 - HG LEU 43 far 0 83 0 - 8.3-14.1 HB3 ARG 135 - HG LEU 43 far 0 82 0 - 8.4-12.8 HB3 LEU 98 - HG LEU 119 far 0 36 0 - 8.8-15.8 HB2 LYS 36 - HG LEU 22 far 0 69 0 - 9.1-33.5 HB2 CYS 79 - HG LEU 43 far 0 63 0 - 9.8-13.0 HB3 LYS 26 - HG LEU 119 far 0 62 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 2554 from aliabs.peaks (1.90, 1.64, 26.79 ppm; 3.54 A): 3 out of 18 assignments used, quality = 1.00: * HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 40 + HG LEU 43 OK 40 85 50 95 4.2-7.4 ~11897=27, ~9055=25...(21) HB2 ARG 135 - HG3 ARG 84 far 14 91 15 - 4.3-8.9 HB2 PRO 113 - HG LEU 119 far 6 62 10 - 3.5-11.0 HB2 ARG 135 - HG2 ARG 84 far 5 92 5 - 4.9-10.5 HB2 MET 11 - HG LEU 22 far 3 63 5 - 4.5-22.8 HB3 LYS 36 - HG3 ARG 23 far 2 42 5 - 5.0-27.0 HG2 PRO 113 - HG LEU 119 far 0 33 0 - 5.2-12.5 HB3 LEU 123 - HG LEU 119 far 0 40 0 - 6.4-9.2 HB3 LEU 49 - HG LEU 119 far 0 58 0 - 7.1-14.0 HB3 LEU 48 - HG LEU 22 far 0 68 0 - 7.4-30.1 HB3 LEU 48 - HG3 ARG 23 far 0 55 0 - 7.7-30.4 HB3 LYS 36 - HG LEU 43 far 0 65 0 - 7.7-14.2 HB3 LYS 36 - HG LEU 22 far 0 53 0 - 8.0-32.5 HB2 MET 11 - HG3 ARG 23 far 0 50 0 - 8.6-21.3 HB2 ARG 135 - HG LEU 43 far 0 74 0 - 9.0-12.8 HB2 GLU 40 - HG3 ARG 23 far 0 58 0 - 9.2-36.0 Violated in 0 structures by 0.00 A. Peak 2555 from aliabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 84 84 - 100 HG LEU 22 + HG LEU 22 OK 60 60 - 100 HG LEU 119 + HG LEU 119 OK 53 53 - 100 HG3 ARG 23 + HG3 ARG 23 OK 47 47 - 100 Peak 2556 from aliabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 86 86 - 100 HG LEU 22 + HG LEU 22 OK 55 55 - 100 HG LEU 119 + HG LEU 119 OK 49 49 - 100 HG3 ARG 23 + HG3 ARG 23 OK 42 42 - 100 Reference assignment not found: HG3 ARG 84 - HG2 ARG 84 Peak 2557 from aliabs.peaks (3.19, 1.64, 26.79 ppm; 3.43 A): 5 out of 16 assignments used, quality = 1.00: HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 32 32 100 100 2.3-3.0 3.0=100 HB2 HIS 10 - HG3 ARG 23 far 0 45 0 - 5.4-21.0 HD2 ARG 23 - HG LEU 22 far 0 40 0 - 5.5-9.5 HB2 HIS 10 - HG LEU 22 far 0 57 0 - 6.6-23.6 HB3 HIS 3 - HG2 ARG 84 far 0 63 0 - 6.8-76.3 HB3 HIS 3 - HG3 ARG 84 far 0 62 0 - 7.5-77.5 HB3 HIS 8 - HG LEU 22 far 0 46 0 - 8.5-30.3 HD3 ARG 90 - HG2 ARG 84 far 0 68 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 76 0 - 9.7-13.5 HD3 ARG 90 - HG3 ARG 84 far 0 67 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 75 0 - 9.9-13.8 HB3 HIS 8 - HG3 ARG 23 far 0 36 0 - 10.0-27.6 Violated in 0 structures by 0.00 A. Peak 2558 from aliabs.peaks (3.19, 1.64, 26.79 ppm; 3.43 A): 5 out of 16 assignments used, quality = 1.00: * HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 ARG 23 + HG3 ARG 23 OK 32 32 100 100 2.3-3.0 3.0=100 HB2 HIS 10 - HG3 ARG 23 far 0 45 0 - 5.4-21.0 HD2 ARG 23 - HG LEU 22 far 0 40 0 - 5.5-9.5 HB2 HIS 10 - HG LEU 22 far 0 57 0 - 6.6-23.6 HB3 HIS 3 - HG2 ARG 84 far 0 63 0 - 6.8-76.3 HB3 HIS 3 - HG3 ARG 84 far 0 62 0 - 7.5-77.5 HB3 HIS 8 - HG LEU 22 far 0 46 0 - 8.5-30.3 HD3 ARG 90 - HG2 ARG 84 far 0 68 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 76 0 - 9.7-13.5 HD3 ARG 90 - HG3 ARG 84 far 0 67 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 75 0 - 9.9-13.8 HB3 HIS 8 - HG3 ARG 23 far 0 36 0 - 10.0-27.6 Violated in 0 structures by 0.00 A. Peak 2561 from aliabs.peaks (4.25, 1.64, 26.79 ppm; 3.81 A): 3 out of 15 assignments used, quality = 1.00: * HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.7-4.2 3.9=95, 11859/3.6=34...(33) HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-4.0 3.9=95, 11859/3.6=34...(34) HA LEU 22 + HG LEU 22 OK 45 45 100 100 2.2-4.1 4.3=71, 373/2.1=65...(21) HA LYS 19 - HG LEU 22 poor 8 36 60 35 2.6-10.7 409/2.1=9, ~10720=6...(10) HA SER 99 - HG LEU 119 far 0 35 0 - 5.7-10.9 HB THR 115 - HG LEU 119 far 0 30 0 - 5.7-9.3 HA ALA 28 - HG LEU 22 far 0 61 0 - 5.8-19.0 HA PHE 87 - HG2 ARG 84 far 0 72 0 - 7.7-9.7 HA LYS 31 - HG LEU 22 far 0 37 0 - 7.8-23.7 HA PHE 87 - HG3 ARG 84 far 0 73 0 - 7.9-9.7 HA GLN 27 - HG LEU 22 far 0 61 0 - 8.3-16.7 HA GLN 27 - HG LEU 43 far 0 89 0 - 8.4-24.5 HA LYS 26 - HG LEU 22 far 0 41 0 - 9.3-13.8 HA ALA 28 - HG LEU 43 far 0 89 0 - 9.8-25.0 HA SER 51 - HG LEU 119 far 0 26 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 2562 from aliabs.peaks (1.81, 1.64, 26.79 ppm; 2.99 A): 2 out of 20 assignments used, quality = 1.00: * HB2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 19 - HG LEU 22 far 9 61 15 - 3.5-10.7 HB3 ARG 135 - HG3 ARG 84 far 0 98 0 - 4.6-8.6 HB3 ARG 135 - HG2 ARG 84 far 0 97 0 - 4.7-10.1 HB3 LYS 24 - HG LEU 22 far 0 60 0 - 4.9-9.8 HB2 LYS 86 - HG3 ARG 84 far 0 92 0 - 5.4-8.3 HB2 LYS 86 - HG2 ARG 84 far 0 91 0 - 5.5-8.0 HB3 LEU 103 - HG LEU 119 far 0 43 0 - 5.8-10.5 HB3 ARG 23 - HG LEU 22 far 0 57 0 - 6.2-8.2 HB3 LYS 31 - HG LEU 22 far 0 60 0 - 6.9-22.8 HB3 LEU 122 - HG LEU 119 far 0 39 0 - 7.2-9.8 HB3 LYS 26 - HG LEU 22 far 0 59 0 - 7.9-15.3 HB2 LEU 100 - HG LEU 119 far 0 47 0 - 8.2-11.9 HB2 LYS 36 - HG LEU 43 far 0 86 0 - 8.3-14.1 HB3 ARG 135 - HG LEU 43 far 0 85 0 - 8.4-12.8 HB3 LEU 98 - HG LEU 119 far 0 30 0 - 8.8-15.8 HB2 LYS 36 - HG LEU 22 far 0 58 0 - 9.1-33.5 HB2 CYS 79 - HG LEU 43 far 0 66 0 - 9.8-13.0 HB3 LYS 26 - HG LEU 119 far 0 52 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 2563 from aliabs.peaks (1.90, 1.64, 26.79 ppm; 3.53 A): 3 out of 14 assignments used, quality = 1.00: * HB3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 40 + HG LEU 43 OK 42 88 50 95 4.2-7.4 ~11897=27, ~9055=25...(21) HB2 ARG 135 - HG3 ARG 84 far 14 92 15 - 4.3-8.9 HB2 PRO 113 - HG LEU 119 far 5 52 10 - 3.5-11.0 HB2 ARG 135 - HG2 ARG 84 far 5 91 5 - 4.9-10.5 HB2 MET 11 - HG LEU 22 far 3 52 5 - 4.5-22.8 HG2 PRO 113 - HG LEU 119 far 0 27 0 - 5.2-12.5 HB3 LEU 123 - HG LEU 119 far 0 33 0 - 6.4-9.2 HB3 LEU 49 - HG LEU 119 far 0 48 0 - 7.1-14.0 HB3 LEU 48 - HG LEU 22 far 0 56 0 - 7.4-30.1 HB3 LYS 36 - HG LEU 43 far 0 68 0 - 7.7-14.2 HB3 LYS 36 - HG LEU 22 far 0 44 0 - 8.0-32.5 HB2 ARG 135 - HG LEU 43 far 0 78 0 - 9.0-12.8 Violated in 0 structures by 0.00 A. Peak 2564 from aliabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 88 88 - 100 HG LEU 22 + HG LEU 22 OK 49 49 - 100 HG LEU 119 + HG LEU 119 OK 44 44 - 100 Reference assignment not found: HG2 ARG 84 - HG3 ARG 84 Peak 2565 from aliabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 89 89 - 100 HG LEU 22 + HG LEU 22 OK 45 45 - 100 HG LEU 119 + HG LEU 119 OK 41 41 - 100 Peak 2566 from aliabs.peaks (3.19, 1.64, 26.79 ppm; 3.43 A): 4 out of 13 assignments used, quality = 1.00: * HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 ARG 23 - HG LEU 22 far 0 33 0 - 5.5-9.5 HB2 HIS 10 - HG LEU 22 far 0 47 0 - 6.6-23.6 HB3 HIS 3 - HG2 ARG 84 far 0 62 0 - 6.8-76.3 HB3 HIS 3 - HG3 ARG 84 far 0 63 0 - 7.5-77.5 HB3 HIS 8 - HG LEU 22 far 0 37 0 - 8.5-30.3 HD3 ARG 90 - HG2 ARG 84 far 0 67 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 75 0 - 9.7-13.5 HD3 ARG 90 - HG3 ARG 84 far 0 68 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 76 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 2567 from aliabs.peaks (3.19, 1.64, 26.79 ppm; 3.43 A): 4 out of 13 assignments used, quality = 1.00: HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 ARG 23 - HG LEU 22 far 0 33 0 - 5.5-9.5 HB2 HIS 10 - HG LEU 22 far 0 47 0 - 6.6-23.6 HB3 HIS 3 - HG2 ARG 84 far 0 62 0 - 6.8-76.3 HB3 HIS 3 - HG3 ARG 84 far 0 63 0 - 7.5-77.5 HB3 HIS 8 - HG LEU 22 far 0 37 0 - 8.5-30.3 HD3 ARG 90 - HG2 ARG 84 far 0 67 0 - 9.6-14.5 HD2 ARG 90 - HG2 ARG 84 far 0 75 0 - 9.7-13.5 HD3 ARG 90 - HG3 ARG 84 far 0 68 0 - 9.9-14.4 HD2 ARG 90 - HG3 ARG 84 far 0 76 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 2570 from aliabs.peaks (4.25, 3.19, 42.91 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: HA ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.0-5.1 5.0=55, 11859/2.9=44...(31) * HA ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.8-5.4 5.0=55, 11859/2.9=44...(31) HA PHE 87 - HD2 ARG 84 far 0 73 0 - 6.5-10.6 HA PHE 87 - HD3 ARG 84 far 0 73 0 - 6.7-10.5 Violated in 2 structures by 0.01 A. Peak 2571 from aliabs.peaks (1.81, 3.19, 42.91 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=78, 1.8/2572=36...(25) * HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-4.0 4.0=78, 1.8/2572=36...(25) HB3 ARG 135 - HD3 ARG 84 far 10 98 10 - 4.0-10.5 HB3 ARG 135 - HD2 ARG 84 far 5 98 5 - 4.7-9.3 HB2 LYS 86 - HD2 ARG 84 far 0 92 0 - 6.4-8.4 HB2 LYS 86 - HD3 ARG 84 far 0 92 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 2572 from aliabs.peaks (1.90, 3.19, 42.91 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-4.2 4.0=80, 1.8/2571=37...(25) HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-3.8 4.0=80, 1.8/2571=37...(25) HB2 ARG 135 - HD3 ARG 84 far 9 92 10 - 4.5-11.0 HB2 ARG 135 - HD2 ARG 84 far 0 92 0 - 5.2-9.6 HB2 ARG 90 - HD2 ARG 84 far 0 98 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 2573 from aliabs.peaks (1.64, 3.19, 42.91 ppm; 3.20 A): 4 out of 10 assignments used, quality = 1.00: HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HD3 ARG 84 far 10 68 15 - 3.7-8.5 QB ALA 88 - HD2 ARG 84 lone 4 68 60 10 3.1-8.5 2525/5.0=4, 9847/2586=1 HD3 LYS 86 - HD2 ARG 84 far 0 90 0 - 7.1-11.5 HD3 LYS 86 - HD3 ARG 84 far 0 90 0 - 7.6-11.5 HD2 LYS 86 - HD2 ARG 84 far 0 85 0 - 7.9-11.8 HD2 LYS 86 - HD3 ARG 84 far 0 85 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 2574 from aliabs.peaks (1.64, 3.19, 42.91 ppm; 3.20 A): 4 out of 10 assignments used, quality = 1.00: * HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HD3 ARG 84 far 11 76 15 - 3.7-8.5 QB ALA 88 - HD2 ARG 84 lone 5 76 60 11 3.1-8.5 2525/5.0=4, 9847/2586=1 HD3 LYS 86 - HD2 ARG 84 far 0 95 0 - 7.1-11.5 HD3 LYS 86 - HD3 ARG 84 far 0 95 0 - 7.6-11.5 HD2 LYS 86 - HD2 ARG 84 far 0 90 0 - 7.9-11.8 HD2 LYS 86 - HD3 ARG 84 far 0 90 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 2575 from aliabs.peaks (3.19, 3.19, 42.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 * HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Peak 2576 from aliabs.peaks (3.19, 3.19, 42.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Reference assignment not found: HD3 ARG 84 - HD2 ARG 84 Peak 2579 from aliabs.peaks (4.25, 3.19, 42.91 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.0-5.1 5.0=55, 11859/2.9=44...(31) HA ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.8-5.4 5.0=55, 11859/2.9=44...(31) HA PHE 87 - HD2 ARG 84 far 0 73 0 - 6.5-10.6 HA PHE 87 - HD3 ARG 84 far 0 73 0 - 6.7-10.5 Violated in 2 structures by 0.01 A. Peak 2580 from aliabs.peaks (1.81, 3.19, 42.91 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.1-4.2 4.0=78, 1.8/2572=36...(25) HB2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-4.0 4.0=78, 1.8/2572=36...(25) HB3 ARG 135 - HD3 ARG 84 far 10 98 10 - 4.0-10.5 HB3 ARG 135 - HD2 ARG 84 far 5 98 5 - 4.7-9.3 HB2 LYS 86 - HD2 ARG 84 far 0 92 0 - 6.4-8.4 HB2 LYS 86 - HD3 ARG 84 far 0 92 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 2581 from aliabs.peaks (1.90, 3.19, 42.91 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: HB3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-4.2 4.0=80, 1.8/2571=37...(25) * HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.4-3.8 4.0=80, 1.8/2571=37...(25) HB2 ARG 135 - HD3 ARG 84 far 9 92 10 - 4.5-11.0 HB2 ARG 135 - HD2 ARG 84 far 0 92 0 - 5.2-9.6 HB2 ARG 90 - HD2 ARG 84 far 0 98 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 2582 from aliabs.peaks (1.64, 3.19, 42.91 ppm; 3.20 A): 4 out of 10 assignments used, quality = 1.00: * HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HD3 ARG 84 far 10 68 15 - 3.7-8.5 QB ALA 88 - HD2 ARG 84 lone 4 68 60 10 3.1-8.5 2525/5.0=4, 9847/2586=1 HD3 LYS 86 - HD2 ARG 84 far 0 90 0 - 7.1-11.5 HD3 LYS 86 - HD3 ARG 84 far 0 90 0 - 7.6-11.5 HD2 LYS 86 - HD2 ARG 84 far 0 85 0 - 7.9-11.8 HD2 LYS 86 - HD3 ARG 84 far 0 85 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 2583 from aliabs.peaks (1.64, 3.19, 42.91 ppm; 3.20 A): 4 out of 10 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 88 - HD3 ARG 84 far 11 76 15 - 3.7-8.5 QB ALA 88 - HD2 ARG 84 lone 5 76 60 11 3.1-8.5 2525/5.0=4, 9847/2586=1 HD3 LYS 86 - HD2 ARG 84 far 0 95 0 - 7.1-11.5 HD3 LYS 86 - HD3 ARG 84 far 0 95 0 - 7.6-11.5 HD2 LYS 86 - HD2 ARG 84 far 0 90 0 - 7.9-11.8 HD2 LYS 86 - HD3 ARG 84 far 0 90 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 2584 from aliabs.peaks (3.19, 3.19, 42.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Reference assignment not found: HD2 ARG 84 - HD3 ARG 84 Peak 2585 from aliabs.peaks (3.19, 3.19, 42.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Peak 2588 from aliabs.peaks (4.81, 4.81, 54.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HA ASN 85 OK 100 100 - 100 Peak 2589 from aliabs.peaks (2.69, 4.81, 54.84 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HA ASN 85 OK 100 100 100 100 2.2-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2590 from aliabs.peaks (2.82, 4.81, 54.84 ppm; 6.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HA ASN 85 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2595 from aliabs.peaks (1.66, 4.81, 54.84 ppm; 4.64 A): 3 out of 5 assignments used, quality = 1.00: * QB ALA 88 + HA ASN 85 OK 100 100 100 100 2.7-3.3 2750=100, 7185/7174=78...(16) HG3 ARG 84 + HA ASN 85 OK 71 76 100 94 2.9-5.5 3.0/11320=31...(28) HG2 ARG 84 + HA ASN 85 OK 64 68 100 94 2.9-6.0 3.0/11320=31...(27) HD3 LYS 86 - HA ASN 85 far 0 97 0 - 6.9-9.1 HD2 LYS 86 - HA ASN 85 far 0 99 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 2597 from aliabs.peaks (4.81, 2.69, 37.45 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HB2 ASN 85 OK 100 100 100 100 2.2-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2598 from aliabs.peaks (2.69, 2.69, 37.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HB2 ASN 85 OK 100 100 - 100 Peak 2599 from aliabs.peaks (2.82, 2.69, 37.45 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HB2 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2604 from aliabs.peaks (4.81, 2.82, 37.45 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HB3 ASN 85 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2605 from aliabs.peaks (2.69, 2.82, 37.45 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HB3 ASN 85 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2606 from aliabs.peaks (2.82, 2.82, 37.45 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + HB3 ASN 85 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 60 60 - 100 HB3 ASN 120 + HB3 ASN 120 OK 50 50 - 100 Peak 2611 from aliabs.peaks (3.89, 3.89, 60.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HA LYS 86 OK 100 100 - 100 Peak 2612 from aliabs.peaks (1.79, 3.89, 60.61 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ARG 135 - HA LYS 86 far 0 73 0 - 6.6-11.9 HB2 ARG 84 - HA LYS 86 far 0 92 0 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 2613 from aliabs.peaks (1.96, 3.89, 60.61 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HA LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 90 - HA LYS 86 poor 20 99 20 - 4.4-6.6 HB3 PRO 81 - HA LYS 86 far 0 100 0 - 6.2-8.9 Violated in 0 structures by 0.00 A. Peak 2614 from aliabs.peaks (1.41, 3.89, 60.61 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 86 + HA LYS 86 OK 100 100 100 100 2.0-3.2 3.7=100 QB ALA 92 - HA LYS 86 far 0 90 0 - 7.1-7.5 QB ALA 34 - HA LYS 86 far 0 100 0 - 8.9-17.9 Violated in 0 structures by 0.00 A. Peak 2615 from aliabs.peaks (1.48, 3.89, 60.61 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HA LYS 86 OK 100 100 100 100 2.0-3.5 3.7=100 Violated in 0 structures by 0.00 A. Peak 2616 from aliabs.peaks (1.66, 3.89, 60.61 ppm; 4.94 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 3.9-4.9 3.0/2704=86, 5.5=73...(35) HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.0-5.2 3.0/2704=86, 5.5=73...(35) QB ALA 88 + HA LYS 86 OK 99 99 100 100 5.2-5.5 2750/4.9=64...(20) HG3 ARG 84 - HA LYS 86 far 0 90 0 - 6.6-9.2 HG2 ARG 84 - HA LYS 86 far 0 85 0 - 6.7-9.0 Violated in 0 structures by 0.00 A. Peak 2617 from aliabs.peaks (1.65, 3.89, 60.61 ppm; 4.94 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 86 + HA LYS 86 OK 100 100 100 100 4.0-5.2 3.0/2704=86, 5.5=73...(35) HD2 LYS 86 + HA LYS 86 OK 100 100 100 100 3.9-4.9 3.0/2704=86, 5.5=73...(35) QB ALA 88 + HA LYS 86 OK 97 97 100 100 5.2-5.5 2750/4.9=62...(20) HG3 ARG 84 - HA LYS 86 far 0 95 0 - 6.6-9.2 HG2 ARG 84 - HA LYS 86 far 0 90 0 - 6.7-9.0 Violated in 0 structures by 0.00 A. Peak 2622 from aliabs.peaks (3.32, 3.89, 60.61 ppm; 4.95 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 89 + HA LYS 86 OK 100 100 100 100 1.9-3.5 2765=86, 2.7/11327=62...(19) HB3 PHE 89 + HA LYS 86 OK 80 81 100 100 2.1-3.5 1.8/2765=74...(15) HB3 CYS 73 - HA LYS 86 far 0 99 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 2623 from aliabs.peaks (3.34, 3.89, 60.61 ppm; 4.87 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + HA LYS 86 OK 100 100 100 100 2.1-3.5 1.8/2765=72...(16) HB2 PHE 89 + HA LYS 86 OK 80 81 100 100 1.9-3.5 2.7/11327=60...(18) HB3 CYS 73 - HA LYS 86 far 0 60 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 2624 from aliabs.peaks (3.74, 1.79, 32.49 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 83 + HB2 LYS 86 OK 100 100 100 100 1.8-2.5 2517/11312=70...(23) HA VAL 133 - HB2 LYS 86 far 0 65 0 - 6.9-9.6 Violated in 0 structures by 0.00 A. Peak 2626 from aliabs.peaks (3.89, 1.79, 32.49 ppm; 4.00 A): 1 out of 14 assignments used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 SER 33 - HB3 LYS 31 far 0 43 0 - 6.3-9.0 HB2 SER 60 - HB3 LYS 19 far 0 59 0 - 6.7-34.6 HB3 SER 60 - HB3 LYS 19 far 0 59 0 - 7.5-33.9 HB2 SER 60 - HB3 LYS 31 far 0 42 0 - 7.6-25.8 HA3 GLY 75 - HB3 LYS 31 far 0 59 0 - 7.9-25.6 HB3 SER 50 - HB3 LYS 19 far 0 78 0 - 8.2-38.9 HA2 GLY 2 - HB3 LYS 31 far 0 57 0 - 8.3-50.9 HA ALA 41 - HB3 LYS 31 far 0 32 0 - 8.4-21.2 HB3 SER 60 - HB3 LYS 31 far 0 42 0 - 8.6-24.8 HA ALA 46 - HB3 LYS 19 far 0 80 0 - 9.3-33.9 HA2 GLY 2 - HB2 LYS 86 far 0 98 0 - 9.5-76.2 HA ALA 41 - HB3 LYS 19 far 0 46 0 - 9.6-35.2 HA3 GLY 2 - HB3 LYS 31 far 0 56 0 - 9.6-51.7 Violated in 0 structures by 0.00 A. Peak 2627 from aliabs.peaks (1.79, 1.79, 32.49 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 73 73 - 100 HB3 LYS 31 + HB3 LYS 31 OK 46 46 - 100 Peak 2628 from aliabs.peaks (1.96, 1.79, 32.49 ppm; 3.07 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 27 - HB3 LYS 31 far 9 57 15 - 3.5-11.7 HB2 GLU 30 - HB3 LYS 31 far 7 46 15 - 3.3-7.0 HB2 PRO 58 - HB3 LYS 19 far 4 78 5 - 4.6-35.8 HB2 GLU 30 - HB3 LYS 19 far 0 65 0 - 4.6-24.4 HB2 GLN 27 - HB3 LYS 19 far 0 78 0 - 4.8-22.5 HB3 ARG 90 - HB2 LYS 86 far 0 99 0 - 5.3-8.3 HB3 PRO 81 - HB2 LYS 86 far 0 100 0 - 6.1-9.1 HB ILE 37 - HB3 LYS 19 far 0 74 0 - 8.9-31.8 Violated in 0 structures by 0.00 A. Peak 2629 from aliabs.peaks (1.41, 1.79, 32.49 ppm; 3.52 A): 3 out of 17 assignments used, quality = 1.00: * HG2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 19 + HB3 LYS 19 OK 53 53 100 100 2.2-3.0 3.0=100 HG3 LYS 31 + HB3 LYS 31 OK 31 31 100 100 2.2-3.0 3.0=100 HG2 LYS 26 - HB3 LYS 31 poor 17 48 35 - 2.5-17.3 HG13 ILE 32 - HB3 LYS 31 far 8 50 15 - 3.7-7.2 QB ALA 28 - HB3 LYS 31 far 4 29 15 - 4.8-8.0 QB ALA 16 - HB3 LYS 19 far 3 57 5 - 4.9-10.4 HG3 LYS 31 - HB3 LYS 19 far 2 44 5 - 3.7-24.3 QB ALA 16 - HB3 LYS 31 far 2 40 5 - 3.6-22.8 HG3 LYS 19 - HB3 LYS 31 far 2 37 5 - 4.5-27.7 QB ALA 28 - HB3 LYS 19 far 0 42 0 - 5.1-20.6 QB ALA 109 - HB3 LYS 19 far 0 49 0 - 6.3-40.7 HG2 LYS 26 - HB3 LYS 19 far 0 66 0 - 6.8-23.3 HG13 ILE 32 - HB3 LYS 19 far 0 70 0 - 8.3-24.4 QB ALA 34 - HB3 LYS 31 far 0 60 0 - 9.1-11.7 QB ALA 92 - HB2 LYS 86 far 0 90 0 - 9.1-9.7 QB ALA 109 - HB3 LYS 31 far 0 34 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 2630 from aliabs.peaks (1.48, 1.79, 32.49 ppm; 4.91 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 31 + HB3 LYS 31 OK 45 45 100 100 2.2-3.0 3.0=100 HG3 LYS 24 - HB3 LYS 19 poor 16 44 35 - 2.0-15.5 HG3 LYS 36 - HB3 LYS 31 far 5 48 10 - 6.0-13.7 HG2 LYS 31 - HB3 LYS 19 far 3 63 5 - 4.2-25.3 HG3 LYS 24 - HB3 LYS 31 far 2 31 5 - 5.0-17.6 QB ALA 52 - HB3 LYS 19 far 0 81 0 - 7.2-28.5 HG3 LYS 36 - HB3 LYS 19 far 0 66 0 - 8.3-32.7 HB2 LEU 49 - HB3 LYS 19 far 0 59 0 - 9.5-31.7 Violated in 0 structures by 0.00 A. Peak 2631 from aliabs.peaks (1.66, 1.79, 32.49 ppm; 4.19 A): 10 out of 24 assignments used, quality = 1.00: * HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.3-4.0 3.5=100 HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.0-4.1 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 80 80 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 78 78 100 100 2.1-3.7 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 19 OK 26 80 35 91 2.0-16.0 3.0/284=3, ~823=3, 295=3...(117) HD3 LYS 24 + HB3 LYS 19 OK 24 81 35 86 3.5-15.3 3.0/284=3, ~823=3...(84) HD2 LYS 26 + HB3 LYS 31 OK 23 60 40 97 2.9-17.3 2.9/2629=6, ~639=4...(144) HD3 LYS 26 + HB3 LYS 31 OK 22 59 40 95 3.4-17.4 2.9/2629=6, 6336/4.0=5...(112) HG2 ARG 84 - HB2 LYS 86 far 8 85 10 - 5.5-8.0 HG3 ARG 84 - HB2 LYS 86 far 5 90 5 - 5.4-8.3 HD2 LYS 19 - HB3 LYS 31 far 3 59 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 3 57 5 - 4.1-28.8 HD3 LYS 31 - HB3 LYS 19 far 0 81 0 - 5.9-24.7 HD2 LYS 31 - HB3 LYS 19 far 0 82 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 99 0 - 6.1-6.7 HD2 LYS 26 - HB3 LYS 19 far 0 81 0 - 6.5-21.2 HD3 LYS 26 - HB3 LYS 19 far 0 80 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 59 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 60 0 - 6.8-18.8 HD3 LYS 36 - HB3 LYS 31 far 0 59 0 - 7.1-13.3 HD2 LYS 24 - HB3 LYS 31 far 0 59 0 - 7.6-17.9 HB2 LEU 69 - HB3 LYS 31 far 0 59 0 - 9.8-17.4 Violated in 0 structures by 0.00 A. Peak 2632 from aliabs.peaks (1.65, 1.79, 32.49 ppm; 4.18 A): 10 out of 24 assignments used, quality = 1.00: * HD3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.0-4.1 3.5=100 HD2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.3-4.0 3.5=100 HD2 LYS 19 + HB3 LYS 19 OK 81 81 100 100 2.2-3.7 3.9=100 HD3 LYS 19 + HB3 LYS 19 OK 80 80 100 100 2.1-3.7 3.9=100 HD2 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.5-4.2 3.5=100 HD3 LYS 31 + HB3 LYS 31 OK 59 59 100 100 2.1-3.8 3.5=100 HD2 LYS 24 + HB3 LYS 19 OK 25 78 35 91 2.0-16.0 3.0/284=3, ~823=3, 295=3...(117) HD3 LYS 24 + HB3 LYS 19 OK 25 82 35 86 3.5-15.3 3.0/284=3, ~823=3...(84) HD2 LYS 26 + HB3 LYS 31 OK 23 59 40 96 2.9-17.3 2.9/2629=6, ~639=4...(142) HD3 LYS 26 + HB3 LYS 31 OK 21 57 40 95 3.4-17.4 2.9/2629=6, 6336/4.0=4...(111) HG2 ARG 84 - HB2 LYS 86 far 9 90 10 - 5.5-8.0 HG3 ARG 84 - HB2 LYS 86 far 5 95 5 - 5.4-8.3 HD2 LYS 19 - HB3 LYS 31 far 3 60 5 - 3.6-27.6 HD3 LYS 19 - HB3 LYS 31 far 3 59 5 - 4.1-28.8 HD3 LYS 31 - HB3 LYS 19 far 0 80 0 - 5.9-24.7 HD2 LYS 31 - HB3 LYS 19 far 0 81 0 - 6.0-24.2 QB ALA 88 - HB2 LYS 86 far 0 97 0 - 6.1-6.7 HD2 LYS 26 - HB3 LYS 19 far 0 80 0 - 6.5-21.2 HD3 LYS 26 - HB3 LYS 19 far 0 77 0 - 6.5-21.5 HD2 LYS 36 - HB3 LYS 31 far 0 57 0 - 6.7-11.9 HD3 LYS 24 - HB3 LYS 31 far 0 60 0 - 6.8-18.8 HD3 LYS 36 - HB3 LYS 31 far 0 57 0 - 7.1-13.3 HD2 LYS 24 - HB3 LYS 31 far 0 57 0 - 7.6-17.9 HB2 LEU 69 - HB3 LYS 31 far 0 60 0 - 9.8-17.4 Violated in 0 structures by 0.00 A. Peak 2633 from aliabs.peaks (3.06, 1.79, 32.49 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 86 + HB2 LYS 86 OK 100 100 100 100 2.4-4.5 4.9=100 HB3 HIS 5 - HB3 LYS 31 far 0 59 0 - 7.8-45.2 Violated in 0 structures by 0.00 A. Peak 2634 from aliabs.peaks (2.95, 1.79, 32.49 ppm; 5.04 A): 9 out of 24 assignments used, quality = 1.00: * HE3 LYS 86 + HB2 LYS 86 OK 100 100 100 100 3.0-3.5 4.9=100 HE2 LYS 19 + HB3 LYS 19 OK 81 82 100 100 2.1-4.9 5.1=98, 7.3/6150=17...(56) HE3 LYS 19 + HB3 LYS 19 OK 81 82 100 100 2.3-4.8 5.1=98, 7.3/6150=17...(56) HE3 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.0-5.0 4.8=100 HE2 LYS 31 + HB3 LYS 31 OK 60 60 100 100 2.0-5.2 4.8=100 HE2 LYS 26 + HB3 LYS 31 OK 28 60 50 95 2.2-19.2 3.6/2629=7, 6337/4.0=5...(134) HE2 LYS 24 + HB3 LYS 19 OK 25 81 35 89 2.6-16.3 3.0/2631=4, 11770/3.0=4...(123) HE3 LYS 26 + HB3 LYS 31 OK 25 58 45 94 3.3-19.0 3.6/2629=7, 6337/4.0=5...(130) HE3 LYS 24 + HB3 LYS 19 OK 24 78 35 88 3.9-16.9 3.0/2631=4, 11770/3.0=4...(109) HE2 LYS 36 - HB3 LYS 31 far 9 59 15 - 5.3-14.3 HE2 LYS 26 - HB3 LYS 19 far 4 81 5 - 6.1-23.7 HE2 LYS 31 - HB3 LYS 19 far 4 81 5 - 6.5-26.1 HE2 LYS 19 - HB3 LYS 31 far 3 60 5 - 5.8-26.9 HE3 LYS 19 - HB3 LYS 31 far 3 60 5 - 6.2-27.1 HE2 LYS 24 - HB3 LYS 31 far 3 60 5 - 6.0-19.3 HE3 LYS 36 - HB3 LYS 31 far 3 59 5 - 4.9-14.1 HE3 LYS 24 - HB3 LYS 31 far 0 57 0 - 6.7-20.0 HE3 LYS 31 - HB3 LYS 19 far 0 81 0 - 7.4-27.0 HE3 LYS 26 - HB3 LYS 19 far 0 79 0 - 7.6-23.7 HD2 ARG 135 - HB2 LYS 86 far 0 60 0 - 7.9-12.6 HE3 LYS 39 - HB2 LYS 86 far 0 68 0 - 9.1-16.1 HB2 CYS 45 - HB3 LYS 31 far 0 43 0 - 9.1-19.2 HE3 LYS 36 - HB3 LYS 19 far 0 80 0 - 9.8-32.0 HB2 CYS 45 - HB3 LYS 19 far 0 61 0 - 10.0-31.6 Violated in 0 structures by 0.00 A. Peak 2636 from aliabs.peaks (3.74, 1.96, 32.49 ppm; 4.21 A): 2 out of 6 assignments used, quality = 1.00: * HA THR 83 + HB3 LYS 86 OK 100 100 100 100 2.2-3.9 2624/1.8=75, 2512=64...(18) HA VAL 133 + HB3 PRO 81 OK 34 61 65 87 3.9-7.9 ~11757=27, 4234/1.8=13...(23) HB2 SER 99 - HB3 LYS 95 poor 19 25 75 - 4.0-6.6 HA VAL 133 - HB3 LYS 86 far 0 65 0 - 6.5-10.4 HA THR 83 - HB3 PRO 81 far 0 98 0 - 6.6-8.2 HA GLU 97 - HB3 LYS 95 far 0 24 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 2638 from aliabs.peaks (3.89, 1.96, 32.49 ppm; 4.43 A): 3 out of 8 assignments used, quality = 1.00: * HA LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 60 + HB2 PRO 58 OK 33 46 100 72 2.8-4.8 4.6/10981=34...(8) HB2 SER 60 + HB2 PRO 58 OK 31 46 95 72 2.6-6.4 4.6/10981=34...(8) HA2 GLY 114 - HB2 PRO 58 poor 13 64 20 - 4.2-14.7 HB2 SER 94 - HB3 LYS 95 far 0 32 0 - 6.1-7.4 HA LYS 86 - HB3 PRO 81 far 0 98 0 - 6.2-8.9 HA LEU 70 - HB3 LYS 95 far 0 35 0 - 9.2-11.1 HA2 GLY 2 - HB3 LYS 86 far 0 98 0 - 10.0-74.4 Violated in 0 structures by 0.00 A. Peak 2639 from aliabs.peaks (1.79, 1.96, 32.49 ppm; 3.06 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 135 - HB3 PRO 81 poor 17 69 25 - 3.0-10.1 HB3 LEU 98 - HB3 LYS 95 poor 16 32 50 - 3.7-6.3 HB3 LYS 19 - HB2 PRO 58 far 3 57 5 - 4.6-35.8 HB3 LEU 122 - HB3 LYS 95 far 0 36 0 - 4.8-9.0 HB2 LYS 86 - HB3 PRO 81 far 0 98 0 - 6.1-9.1 HB3 ARG 23 - HB2 PRO 58 far 0 41 0 - 6.3-29.5 HB2 ARG 84 - HB3 PRO 81 far 0 87 0 - 6.4-11.0 HB2 ARG 84 - HB3 LYS 86 far 0 92 0 - 6.5-8.5 HB3 LYS 26 - HB2 PRO 58 far 0 46 0 - 6.9-25.9 HB3 LYS 24 - HB3 LYS 95 far 0 25 0 - 7.9-31.2 HB3 ARG 135 - HB3 LYS 86 far 0 73 0 - 8.2-13.5 HG LEU 100 - HB3 LYS 95 far 0 24 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 2640 from aliabs.peaks (1.96, 1.96, 32.49 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 HB3 PRO 81 + HB3 PRO 81 OK 97 97 - 100 HB2 PRO 58 + HB2 PRO 58 OK 62 62 - 100 HB3 LYS 95 + HB3 LYS 95 OK 28 28 - 100 Peak 2641 from aliabs.peaks (1.41, 1.96, 32.49 ppm; 4.22 A): 3 out of 13 assignments used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 92 + HB3 LYS 95 OK 26 29 90 99 4.7-6.1 9948/1.8=59, 9948=39...(24) HG2 LYS 95 + HB3 LYS 95 OK 20 20 100 100 2.2-3.0 3.0=100 QB ALA 109 - HB2 PRO 58 poor 13 37 35 - 2.4-15.7 HG LEU 96 - HB3 LYS 95 poor 6 29 20 - 4.9-8.2 QB ALA 16 - HB2 PRO 58 far 2 44 5 - 5.1-32.3 HG2 LYS 86 - HB3 PRO 81 far 0 98 0 - 6.1-10.1 HG3 LYS 19 - HB2 PRO 58 far 0 41 0 - 7.1-38.1 QB ALA 28 - HB2 PRO 58 far 0 32 0 - 7.3-22.0 HG2 LYS 26 - HB2 PRO 58 far 0 52 0 - 7.4-25.8 QB ALA 92 - HB3 LYS 86 far 0 90 0 - 8.8-9.3 QB ALA 34 - HB3 PRO 81 far 0 98 0 - 9.2-18.6 HG13 ILE 32 - HB2 PRO 58 far 0 55 0 - 9.5-22.0 Violated in 0 structures by 0.00 A. Peak 2642 from aliabs.peaks (1.48, 1.96, 32.49 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 LYS 86 - HB3 PRO 81 far 10 98 10 - 5.4-10.4 QB ALA 52 - HB2 PRO 58 far 0 64 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 2643 from aliabs.peaks (1.66, 1.96, 32.49 ppm; 4.35 A): 4 out of 25 assignments used, quality = 1.00: * HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HD2 LYS 95 + HB3 LYS 95 OK 36 36 100 100 3.3-4.2 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 36 36 100 100 2.8-3.8 3.7=100 HD2 LYS 39 - HB3 PRO 81 poor 14 71 20 - 5.2-12.1 HB2 LEU 98 - HB3 LYS 95 poor 12 33 35 - 5.1-7.4 HD3 LYS 86 - HB3 PRO 81 far 5 97 5 - 5.8-10.6 HG2 ARG 84 - HB3 LYS 86 far 4 85 5 - 5.5-9.6 HD2 LYS 19 - HB2 PRO 58 far 3 63 5 - 5.6-37.7 HD3 LYS 24 - HB3 LYS 95 far 2 36 5 - 5.1-34.1 HD2 LYS 24 - HB3 LYS 95 far 2 35 5 - 5.6-35.2 HD3 LYS 26 - HB2 PRO 58 far 0 63 0 - 5.9-27.5 HG3 ARG 84 - HB3 LYS 86 far 0 90 0 - 6.1-9.4 QB ALA 88 - HB3 LYS 86 far 0 99 0 - 6.3-6.9 HD2 LYS 86 - HB3 PRO 81 far 0 98 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 86 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 80 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 65 0 - 7.0-28.1 HD3 LYS 19 - HB2 PRO 58 far 0 62 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 59 0 - 7.4-9.0 QB ALA 88 - HB3 PRO 81 far 0 96 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 90 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 35 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 35 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 64 0 - 9.1-32.1 Violated in 0 structures by 0.00 A. Peak 2644 from aliabs.peaks (1.65, 1.96, 32.49 ppm; 4.35 A): 4 out of 25 assignments used, quality = 1.00: * HD3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.0-4.0 3.5=100 HD2 LYS 95 + HB3 LYS 95 OK 36 36 100 100 3.3-4.2 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 35 35 100 100 2.8-3.8 3.7=100 HD2 LYS 39 - HB3 PRO 81 poor 13 64 20 - 5.2-12.1 HB2 LEU 98 - HB3 LYS 95 poor 12 35 35 - 5.1-7.4 HD3 LYS 86 - HB3 PRO 81 far 5 98 5 - 5.8-10.6 HG2 ARG 84 - HB3 LYS 86 far 5 90 5 - 5.5-9.6 HD2 LYS 19 - HB2 PRO 58 far 3 65 5 - 5.6-37.7 HD3 LYS 24 - HB3 LYS 95 far 2 36 5 - 5.1-34.1 HD2 LYS 24 - HB3 LYS 95 far 2 34 5 - 5.6-35.2 HD3 LYS 26 - HB2 PRO 58 far 0 61 0 - 5.9-27.5 HG3 ARG 84 - HB3 LYS 86 far 0 95 0 - 6.1-9.4 QB ALA 88 - HB3 LYS 86 far 0 97 0 - 6.3-6.9 HD2 LYS 86 - HB3 PRO 81 far 0 97 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 90 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 86 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 63 0 - 7.0-28.1 HD3 LYS 19 - HB2 PRO 58 far 0 64 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 62 0 - 7.4-9.0 QB ALA 88 - HB3 PRO 81 far 0 94 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 94 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 36 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 33 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 62 0 - 9.1-32.1 Violated in 0 structures by 0.00 A. Peak 2645 from aliabs.peaks (3.06, 1.96, 32.49 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: * HE2 LYS 86 + HB3 LYS 86 OK 100 100 100 100 2.1-4.3 2695=100, 1.8/2706=100...(21) HB3 HIS 5 - HB3 PRO 81 far 5 97 5 - 5.7-67.4 HE2 LYS 86 - HB3 PRO 81 far 0 98 0 - 6.9-11.2 Violated in 0 structures by 0.00 A. Peak 2646 from aliabs.peaks (2.95, 1.96, 32.49 ppm; 4.63 A): 1 out of 17 assignments used, quality = 1.00: * HE3 LYS 86 + HB3 LYS 86 OK 100 100 100 100 1.8-4.0 2706=100, 1.8/2695=91...(20) HE3 LYS 39 - HB3 PRO 81 poor 17 64 35 74 2.7-12.3 ~1166=12, ~1167=12...(19) HE2 LYS 39 - HB3 PRO 81 poor 16 64 25 - 3.7-13.4 HE3 LYS 19 - HB2 PRO 58 far 3 65 5 - 5.8-38.7 HB3 ASN 121 - HB3 LYS 95 far 2 23 10 - 3.7-8.4 HE3 LYS 24 - HB3 LYS 95 far 2 34 5 - 6.0-34.3 HD2 ARG 135 - HB3 PRO 81 far 0 56 0 - 6.4-11.0 HE2 LYS 19 - HB2 PRO 58 far 0 65 0 - 7.0-38.8 HE3 LYS 86 - HB3 PRO 81 far 0 98 0 - 7.0-11.2 HE2 LYS 24 - HB3 LYS 95 far 0 36 0 - 7.4-32.8 HE3 LYS 26 - HB2 PRO 58 far 0 63 0 - 7.6-27.3 HE2 LYS 26 - HB2 PRO 58 far 0 64 0 - 8.5-27.1 HD2 ARG 135 - HB3 LYS 86 far 0 60 0 - 9.0-13.5 HE3 LYS 39 - HB3 LYS 86 far 0 68 0 - 9.2-17.1 HB3 ASN 116 - HB2 PRO 58 far 0 44 0 - 9.2-20.4 HB3 ASN 116 - HB3 LYS 95 far 0 23 0 - 9.4-16.0 HE2 LYS 39 - HB3 LYS 86 far 0 68 0 - 9.7-17.3 Violated in 0 structures by 0.00 A. Peak 2649 from aliabs.peaks (3.89, 1.41, 25.19 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.0-3.2 3.7=100 HA3 GLY 75 - HG2 LYS 86 far 0 99 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. Peak 2650 from aliabs.peaks (1.79, 1.41, 25.19 ppm; 5.35 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 84 - HG2 LYS 86 far 0 92 0 - 8.5-9.6 HB3 ARG 135 - HG2 LYS 86 far 0 73 0 - 9.0-14.4 Violated in 0 structures by 0.00 A. Peak 2651 from aliabs.peaks (1.96, 1.41, 25.19 ppm; 4.20 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 90 + HG2 LYS 86 OK 26 99 30 89 4.8-8.0 11152/9650=21...(22) HB3 PRO 81 - HG2 LYS 86 far 0 100 0 - 6.1-10.1 Violated in 0 structures by 0.00 A. Peak 2652 from aliabs.peaks (1.41, 1.41, 25.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 Peak 2653 from aliabs.peaks (1.48, 1.41, 25.19 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2654 from aliabs.peaks (1.66, 1.41, 25.19 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 99 0 - 6.8-7.9 HG3 ARG 84 - HG2 LYS 86 far 0 90 0 - 7.6-10.8 HG2 ARG 84 - HG2 LYS 86 far 0 85 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2655 from aliabs.peaks (1.65, 1.41, 25.19 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 88 - HG2 LYS 86 far 0 97 0 - 6.8-7.9 HG3 ARG 84 - HG2 LYS 86 far 0 95 0 - 7.6-10.8 HG2 ARG 84 - HG2 LYS 86 far 0 90 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 2656 from aliabs.peaks (3.06, 1.41, 25.19 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.6-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 2657 from aliabs.peaks (2.95, 1.41, 25.19 ppm; 6.45 A): 1 out of 4 assignments used, quality = 1.00: * HE3 LYS 86 + HG2 LYS 86 OK 100 100 100 100 2.0-2.9 3.7=100 HE3 LYS 39 - HG2 LYS 86 far 0 68 0 - 8.4-15.8 HE2 LYS 39 - HG2 LYS 86 far 0 68 0 - 8.6-16.0 HD2 ARG 135 - HG2 LYS 86 far 0 60 0 - 8.6-14.6 Violated in 0 structures by 0.00 A. Peak 2660 from aliabs.peaks (3.89, 1.48, 25.19 ppm; 4.86 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.0-3.5 3.7=100 HB2 SER 33 - HG3 LYS 36 poor 18 36 50 - 3.3-8.6 HA ALA 41 - HG3 LYS 36 far 4 26 15 - 4.9-12.4 HA ALA 46 - HG3 LYS 36 far 0 49 0 - 8.0-16.1 HA3 GLY 75 - HG3 LYS 86 far 0 99 0 - 8.7-13.1 HA LEU 70 - HG3 LYS 36 far 0 49 0 - 8.9-14.5 HA2 GLY 2 - HG3 LYS 36 far 0 47 0 - 8.9-57.1 HA3 GLY 75 - HG3 LYS 36 far 0 49 0 - 9.2-19.1 Violated in 0 structures by 0.00 A. Peak 2661 from aliabs.peaks (1.79, 1.48, 25.19 ppm; 4.81 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 36 + HG3 LYS 36 OK 32 32 100 100 2.2-3.0 3.0=100 HB ILE 32 + HG3 LYS 36 OK 25 39 65 100 1.9-8.0 ~10810=47, ~10899=47...(51) HB3 LYS 31 - HG3 LYS 36 far 4 38 10 - 6.0-13.7 HB3 LYS 24 - HG3 LYS 36 far 2 36 5 - 3.5-27.2 HB3 LYS 26 - HG3 LYS 36 far 2 34 5 - 5.1-23.3 HB3 ARG 23 - HG3 LYS 36 far 2 30 5 - 5.8-24.6 HB2 ARG 84 - HG3 LYS 86 far 0 92 0 - 7.0-9.6 HB3 ARG 135 - HG3 LYS 86 far 0 73 0 - 7.5-13.0 HB2 LEU 48 - HG3 LYS 36 far 0 42 0 - 7.8-18.3 HB3 LYS 19 - HG3 LYS 36 far 0 44 0 - 8.3-32.7 Violated in 0 structures by 0.00 A. Peak 2662 from aliabs.peaks (1.96, 1.48, 25.19 ppm; 4.28 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 90 + HG3 LYS 86 OK 23 99 25 91 3.6-8.6 2651/1.8=24...(23) HB ILE 37 - HG3 LYS 36 poor 13 45 30 - 4.9-8.3 HB3 PRO 81 - HG3 LYS 86 far 10 100 10 - 5.4-10.4 HB2 GLN 27 - HG3 LYS 36 far 0 48 0 - 7.6-19.6 HB2 GLU 30 - HG3 LYS 36 far 0 38 0 - 9.0-14.3 Violated in 0 structures by 0.00 A. Peak 2663 from aliabs.peaks (1.41, 1.48, 25.19 ppm; 3.36 A): 1 out of 10 assignments used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 32 - HG3 LYS 36 far 4 42 10 - 3.9-10.0 HG3 LYS 31 - HG3 LYS 36 far 1 25 5 - 4.1-14.2 QB ALA 34 - HG3 LYS 36 far 0 50 0 - 5.3-7.2 HG2 LYS 26 - HG3 LYS 36 far 0 39 0 - 5.7-25.4 QB ALA 16 - HG3 LYS 36 far 0 33 0 - 6.7-26.7 QB ALA 34 - HG3 LYS 86 far 0 100 0 - 8.1-18.3 QB ALA 92 - HG3 LYS 86 far 0 90 0 - 8.1-9.9 QB ALA 28 - HG3 LYS 36 far 0 24 0 - 8.1-15.6 HG3 LYS 19 - HG3 LYS 36 far 0 30 0 - 8.8-34.2 Violated in 0 structures by 0.00 A. Peak 2664 from aliabs.peaks (1.48, 1.48, 25.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 HG3 LYS 36 + HG3 LYS 36 OK 39 39 - 100 Peak 2665 from aliabs.peaks (1.66, 1.48, 25.19 ppm; 4.96 A): 4 out of 18 assignments used, quality = 1.00: * HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.3-2.8 3.0=100 HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.2-2.7 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.5-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 36 poor 10 49 20 - 3.6-25.1 HD2 LYS 26 - HG3 LYS 36 far 7 50 15 - 5.1-26.0 HD2 LYS 31 - HG3 LYS 36 far 5 50 10 - 5.8-13.8 QB ALA 88 - HG3 LYS 86 far 5 99 5 - 6.2-7.8 HD3 LYS 31 - HG3 LYS 36 far 3 50 5 - 5.6-12.6 HD2 LYS 24 - HG3 LYS 36 far 2 49 5 - 5.5-26.2 HD3 LYS 24 - HG3 LYS 36 far 0 50 0 - 6.5-26.8 HG2 ARG 84 - HG3 LYS 86 far 0 85 0 - 7.1-10.3 HB2 LEU 69 - HG3 LYS 36 far 0 49 0 - 7.2-13.2 HG3 ARG 84 - HG3 LYS 86 far 0 90 0 - 7.2-10.6 HG LEU 43 - HG3 LYS 36 far 0 44 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 49 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 48 0 - 9.7-35.0 HD2 LYS 39 - HG3 LYS 86 far 0 76 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2666 from aliabs.peaks (1.65, 1.48, 25.19 ppm; 4.96 A): 4 out of 18 assignments used, quality = 1.00: * HD3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.2-2.7 3.0=100 HD2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 2.3-2.8 3.0=100 HD3 LYS 36 + HG3 LYS 36 OK 48 48 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HG3 LYS 36 OK 47 47 100 100 2.5-3.0 3.0=100 HD3 LYS 26 - HG3 LYS 36 poor 9 47 20 - 3.6-25.1 HD2 LYS 26 - HG3 LYS 36 far 7 49 15 - 5.1-26.0 HD2 LYS 31 - HG3 LYS 36 far 5 50 10 - 5.8-13.8 QB ALA 88 - HG3 LYS 86 far 5 97 5 - 6.2-7.8 HD3 LYS 31 - HG3 LYS 36 far 2 49 5 - 5.6-12.6 HD2 LYS 24 - HG3 LYS 36 far 2 48 5 - 5.5-26.2 HD3 LYS 24 - HG3 LYS 36 far 0 50 0 - 6.5-26.8 HG2 ARG 84 - HG3 LYS 86 far 0 90 0 - 7.1-10.3 HB2 LEU 69 - HG3 LYS 36 far 0 50 0 - 7.2-13.2 HG3 ARG 84 - HG3 LYS 86 far 0 95 0 - 7.2-10.6 HG LEU 43 - HG3 LYS 36 far 0 46 0 - 9.4-15.3 HD2 LYS 19 - HG3 LYS 36 far 0 50 0 - 9.7-35.2 HD3 LYS 19 - HG3 LYS 36 far 0 49 0 - 9.7-35.0 HD2 LYS 39 - HG3 LYS 86 far 0 68 0 - 9.9-16.2 Violated in 0 structures by 0.00 A. Peak 2667 from aliabs.peaks (3.06, 1.48, 25.19 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HG3 LYS 86 OK 100 100 100 100 3.5-4.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 2668 from aliabs.peaks (2.95, 1.48, 25.19 ppm; 5.86 A): 3 out of 14 assignments used, quality = 1.00: * HE3 LYS 86 + HG3 LYS 86 OK 100 100 100 100 3.3-3.7 3.7=100 HE2 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.0-4.1 4.0=100 HE3 LYS 36 + HG3 LYS 36 OK 49 49 100 100 2.2-3.5 4.0=100 HB2 CYS 45 - HG3 LYS 36 poor 20 36 55 - 4.0-12.1 HE3 LYS 26 - HG3 LYS 36 poor 19 48 40 - 4.4-26.9 HE2 LYS 26 - HG3 LYS 36 poor 17 50 35 - 4.5-27.4 HE2 LYS 31 - HG3 LYS 36 poor 12 50 25 - 4.4-14.3 HE3 LYS 31 - HG3 LYS 36 poor 10 50 20 - 3.7-15.5 HE2 LYS 24 - HG3 LYS 36 far 3 50 5 - 4.6-28.4 HE3 LYS 24 - HG3 LYS 36 far 2 48 5 - 6.2-28.3 HD2 ARG 135 - HG3 LYS 86 far 0 60 0 - 7.9-14.0 HE3 LYS 39 - HG3 LYS 86 far 0 68 0 - 8.6-16.4 HE2 LYS 39 - HG3 LYS 86 far 0 68 0 - 8.8-17.3 HE2 LYS 19 - HG3 LYS 36 far 0 50 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 2671 from aliabs.peaks (3.89, 1.66, 29.78 ppm; 5.44 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.9-4.9 5.5=98, 2704/3.0=94...(35) HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.0-5.2 5.5=98, 2704/3.0=94...(35) HA3 GLY 75 - HD3 LYS 86 far 0 99 0 - 8.0-13.6 HA3 GLY 75 - HD2 LYS 86 far 0 99 0 - 8.5-13.8 Violated in 0 structures by 0.00 A. Peak 2672 from aliabs.peaks (1.79, 1.66, 29.78 ppm; 3.81 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-4.0 3.5=100 HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.0-4.1 3.5=100 HB2 ARG 84 - HD3 LYS 86 far 0 91 0 - 7.1-10.8 HB2 ARG 84 - HD2 LYS 86 far 0 92 0 - 7.3-10.7 HB3 ARG 135 - HD3 LYS 86 far 0 72 0 - 7.7-14.5 HB3 ARG 135 - HD2 LYS 86 far 0 73 0 - 8.7-13.8 Violated in 0 structures by 0.00 A. Peak 2673 from aliabs.peaks (1.96, 1.66, 29.78 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.0-4.0 3.5=100 HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HB3 ARG 90 - HD3 LYS 86 far 15 99 15 - 4.9-9.2 HB3 ARG 90 - HD2 LYS 86 far 10 99 10 - 4.5-9.3 HB3 PRO 81 - HD3 LYS 86 far 0 99 0 - 5.8-10.6 HB3 PRO 81 - HD2 LYS 86 far 0 100 0 - 6.4-10.7 Violated in 0 structures by 0.00 A. Peak 2674 from aliabs.peaks (1.41, 1.66, 29.78 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 8.2-19.0 QB ALA 92 - HD3 LYS 86 far 0 89 0 - 9.2-11.2 QB ALA 92 - HD2 LYS 86 far 0 90 0 - 9.3-11.5 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 2675 from aliabs.peaks (1.48, 1.66, 29.78 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-2.8 3.0=100 HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2676 from aliabs.peaks (1.66, 1.66, 29.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 Peak 2677 from aliabs.peaks (1.65, 1.66, 29.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 Reference assignment not found: HD3 LYS 86 - HD2 LYS 86 Peak 2678 from aliabs.peaks (3.06, 1.66, 29.78 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2679 from aliabs.peaks (2.95, 1.66, 29.78 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 39 - HD2 LYS 86 far 0 68 0 - 8.8-17.8 HD2 ARG 135 - HD3 LYS 86 far 0 59 0 - 9.0-15.8 HE2 LYS 39 - HD2 LYS 86 far 0 68 0 - 9.4-18.7 Violated in 0 structures by 0.00 A. Peak 2682 from aliabs.peaks (3.89, 1.65, 29.78 ppm; 5.44 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 86 + HD3 LYS 86 OK 100 100 100 100 4.0-5.2 5.5=98, 2704/3.0=94...(35) HA LYS 86 + HD2 LYS 86 OK 100 100 100 100 3.9-4.9 5.5=98, 2704/3.0=94...(35) HA3 GLY 75 - HD3 LYS 86 far 0 99 0 - 8.0-13.6 HA3 GLY 75 - HD2 LYS 86 far 0 99 0 - 8.5-13.8 Violated in 0 structures by 0.00 A. Peak 2683 from aliabs.peaks (1.79, 1.65, 29.78 ppm; 3.80 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.0-4.1 3.5=100 HB2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-4.0 3.5=100 HB2 ARG 84 - HD3 LYS 86 far 0 92 0 - 7.1-10.8 HB2 ARG 84 - HD2 LYS 86 far 0 91 0 - 7.3-10.7 HB3 ARG 135 - HD3 LYS 86 far 0 73 0 - 7.7-14.5 HB3 ARG 135 - HD2 LYS 86 far 0 72 0 - 8.7-13.8 Violated in 0 structures by 0.00 A. Peak 2684 from aliabs.peaks (1.96, 1.65, 29.78 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-4.0 3.5=100 HB3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.0-4.0 3.5=100 HB3 ARG 90 - HD3 LYS 86 far 15 99 15 - 4.9-9.2 HB3 ARG 90 - HD2 LYS 86 far 10 99 10 - 4.5-9.3 HB3 PRO 81 - HD3 LYS 86 far 0 100 0 - 5.8-10.6 HB3 PRO 81 - HD2 LYS 86 far 0 99 0 - 6.4-10.7 Violated in 0 structures by 0.00 A. Peak 2685 from aliabs.peaks (1.41, 1.65, 29.78 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.4-3.0 3.0=100 QB ALA 34 - HD2 LYS 86 far 0 100 0 - 8.2-19.0 QB ALA 92 - HD3 LYS 86 far 0 90 0 - 9.2-11.2 QB ALA 92 - HD2 LYS 86 far 0 89 0 - 9.3-11.5 QB ALA 34 - HD3 LYS 86 far 0 100 0 - 9.5-19.2 Violated in 0 structures by 0.00 A. Peak 2686 from aliabs.peaks (1.48, 1.65, 29.78 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-2.7 3.0=100 HG3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.3-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2687 from aliabs.peaks (1.66, 1.65, 29.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Reference assignment not found: HD2 LYS 86 - HD3 LYS 86 Peak 2688 from aliabs.peaks (1.65, 1.65, 29.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Peak 2689 from aliabs.peaks (3.06, 1.65, 29.78 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2690 from aliabs.peaks (2.95, 1.65, 29.78 ppm; 3.66 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HE3 LYS 39 - HD2 LYS 86 far 0 67 0 - 8.8-17.8 HD2 ARG 135 - HD3 LYS 86 far 0 60 0 - 9.0-15.8 HE2 LYS 39 - HD2 LYS 86 far 0 67 0 - 9.4-18.7 Violated in 0 structures by 0.00 A. Peak 2693 from aliabs.peaks (3.89, 3.06, 41.48 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.7-5.5 2704/1.8=96, 3.0/2694=77...(21) HA3 GLY 75 - HE2 LYS 86 far 0 99 0 - 8.3-13.9 HB2 SER 94 - HE2 LYS 86 far 0 96 0 - 9.9-15.2 Violated in 19 structures by 0.45 A. Peak 2694 from aliabs.peaks (1.79, 3.06, 41.48 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.4-4.5 1.8/2695=73, ~2706=62...(21) HB2 ARG 84 - HE2 LYS 86 far 0 92 0 - 7.5-11.0 Violated in 8 structures by 0.14 A. Peak 2695 from aliabs.peaks (1.96, 3.06, 41.48 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.1-4.3 2706/1.8=91, 1.8/2694=78...(21) HB3 ARG 90 - HE2 LYS 86 far 5 99 5 - 4.9-9.2 HB3 PRO 81 - HE2 LYS 86 far 0 100 0 - 6.9-11.2 Violated in 4 structures by 0.02 A. Peak 2696 from aliabs.peaks (1.41, 3.06, 41.48 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.6-3.7 3.7=100 QB ALA 92 - HE2 LYS 86 far 0 90 0 - 8.8-11.9 QB ALA 34 - HE2 LYS 86 far 0 100 0 - 9.4-19.1 Violated in 0 structures by 0.00 A. Peak 2697 from aliabs.peaks (1.48, 3.06, 41.48 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 3.5-4.1 3.7=100 Violated in 12 structures by 0.07 A. Peak 2698 from aliabs.peaks (1.66, 3.06, 41.48 ppm; 3.55 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 - HE2 LYS 86 far 0 85 0 - 7.0-12.2 HG3 ARG 84 - HE2 LYS 86 far 0 90 0 - 7.9-12.2 QB ALA 88 - HE2 LYS 86 far 0 99 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 2699 from aliabs.peaks (1.65, 3.06, 41.48 ppm; 3.55 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 86 + HE2 LYS 86 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 84 - HE2 LYS 86 far 0 90 0 - 7.0-12.2 HG3 ARG 84 - HE2 LYS 86 far 0 95 0 - 7.9-12.2 QB ALA 88 - HE2 LYS 86 far 0 97 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 2700 from aliabs.peaks (3.06, 3.06, 41.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 Peak 2701 from aliabs.peaks (2.95, 3.06, 41.48 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 86 + HE2 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2704 from aliabs.peaks (3.89, 2.95, 41.48 ppm; 3.76 A): 1 out of 61 assignments used, quality = 1.00: * HA LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.5-5.0 3.0/2706=63, 2693/1.8=50...(22) HB2 SER 33 - HE2 LYS 26 poor 16 52 30 - 3.0-22.8 HB2 SER 33 - HE3 LYS 26 poor 15 49 30 - 2.4-22.2 HB2 SER 33 - HE2 LYS 36 poor 10 51 20 - 3.0-8.8 HB2 SER 33 - HE3 LYS 36 poor 10 51 20 - 4.7-9.1 HA ALA 41 - HE3 LYS 36 poor 8 39 20 - 4.1-13.4 HB2 SER 33 - HE2 LYS 31 far 5 52 10 - 4.4-10.6 HA ALA 41 - HE2 LYS 36 far 4 39 10 - 3.3-12.6 HB3 SER 50 - HE2 LYS 26 far 3 68 5 - 5.1-28.0 HB2 SER 33 - HE3 LYS 31 far 3 53 5 - 4.5-10.4 HB3 SER 60 - HE3 LYS 19 far 3 52 5 - 4.3-36.3 HB2 SER 60 - HE3 LYS 19 far 3 52 5 - 4.3-36.6 HA ALA 41 - HE3 LYS 31 far 2 40 5 - 4.9-22.8 HA ALA 41 - HE2 LYS 31 far 2 39 5 - 3.5-21.3 HA ALA 41 - HE3 LYS 26 far 2 37 5 - 5.2-30.5 HA ALA 41 - HE2 LYS 26 far 0 39 0 - 5.3-30.5 HB3 SER 60 - HE2 LYS 19 far 0 52 0 - 5.6-36.4 HB2 SER 60 - HE3 LYS 31 far 0 51 0 - 5.9-26.8 HB2 SER 60 - HE2 LYS 26 far 0 50 0 - 5.9-26.8 HA ALA 41 - HE3 LYS 24 far 0 36 0 - 5.9-27.3 HB2 SER 60 - HE2 LYS 19 far 0 52 0 - 6.0-37.9 HB2 SER 60 - HE2 LYS 31 far 0 50 0 - 6.3-26.4 HB3 SER 50 - HE3 LYS 26 far 0 64 0 - 6.5-28.6 HB3 SER 60 - HE2 LYS 26 far 0 50 0 - 6.5-25.9 HA2 GLY 2 - HE3 LYS 31 far 0 68 0 - 6.7-54.0 HA ALA 41 - HE2 LYS 24 far 0 40 0 - 6.8-28.7 HA LEU 70 - HE2 LYS 36 far 0 68 0 - 6.8-15.3 HA ALA 46 - HE3 LYS 36 far 0 69 0 - 6.8-15.7 HB2 SER 60 - HE3 LYS 26 far 0 47 0 - 6.9-26.8 HA3 GLY 75 - HE2 LYS 31 far 0 69 0 - 6.9-24.4 HB2 SER 60 - HE2 LYS 24 far 0 51 0 - 7.1-30.7 HA LEU 70 - HE3 LYS 36 far 0 68 0 - 7.2-15.6 HB3 SER 60 - HE3 LYS 26 far 0 47 0 - 7.3-25.8 HA ALA 46 - HE2 LYS 36 far 0 69 0 - 7.3-14.1 HA3 GLY 2 - HE3 LYS 31 far 0 67 0 - 7.4-54.3 HB3 SER 60 - HE3 LYS 31 far 0 51 0 - 7.4-26.9 HA2 GLY 2 - HE2 LYS 31 far 0 67 0 - 7.6-53.5 HB3 SER 60 - HE2 LYS 24 far 0 51 0 - 7.7-29.8 HA2 GLY 2 - HE2 LYS 26 far 0 67 0 - 7.9-59.0 HB3 SER 60 - HE2 LYS 31 far 0 50 0 - 7.9-26.4 HA3 GLY 2 - HE2 LYS 31 far 0 66 0 - 8.0-54.2 HB2 SER 33 - HE2 LYS 24 far 0 53 0 - 8.3-24.6 HB2 SER 33 - HE3 LYS 24 far 0 47 0 - 8.3-24.8 HA3 GLY 75 - HE3 LYS 31 far 0 71 0 - 8.4-24.0 HB3 SER 50 - HE3 LYS 19 far 0 70 0 - 8.4-42.4 HA ALA 46 - HE3 LYS 26 far 0 66 0 - 8.4-25.0 HA2 GLY 2 - HE2 LYS 36 far 0 66 0 - 8.6-57.5 HA2 GLY 2 - HE3 LYS 26 far 0 63 0 - 8.7-59.2 HB2 SER 60 - HE3 LYS 24 far 0 46 0 - 8.7-31.9 HA2 GLY 2 - HE3 LYS 36 far 0 66 0 - 8.7-56.5 HA3 GLY 75 - HE2 LYS 36 far 0 68 0 - 8.8-20.7 HB3 SER 60 - HE3 LYS 24 far 0 46 0 - 8.8-30.5 HA ALA 46 - HE2 LYS 26 far 0 70 0 - 9.0-24.6 HA3 GLY 2 - HE3 LYS 24 far 0 61 0 - 9.1-51.1 HA ALA 46 - HE3 LYS 24 far 0 64 0 - 9.2-26.0 HA3 GLY 75 - HE3 LYS 86 far 0 99 0 - 9.3-12.3 HB2 SER 94 - HE3 LYS 24 far 0 59 0 - 9.3-36.5 HA3 GLY 2 - HE2 LYS 26 far 0 66 0 - 9.4-59.1 HB2 SER 94 - HE2 LYS 24 far 0 65 0 - 9.5-35.3 HA ALA 46 - HE2 LYS 24 far 0 71 0 - 9.6-26.8 HB2 SER 94 - HE3 LYS 86 far 0 96 0 - 9.9-15.0 Violated in 18 structures by 0.75 A. Peak 2705 from aliabs.peaks (1.79, 2.95, 41.48 ppm; 3.78 A): 13 out of 84 assignments used, quality = 1.00: * HB2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.0-3.5 1.8/2706=85, 2694/1.8=69...(19) HB3 LYS 19 + HE2 LYS 19 OK 56 64 100 87 2.1-4.9 5.1=41, 6150/7.3=8...(52) HB3 LYS 19 + HE3 LYS 19 OK 56 64 100 87 2.3-4.8 5.1=41, 3.0/11873=8...(52) HB3 LYS 31 + HE3 LYS 31 OK 49 56 100 87 2.0-5.0 4.8=48, 6332/7.1=12...(53) HB3 LYS 31 + HE2 LYS 31 OK 48 55 100 87 2.0-5.2 4.8=48, 6332/7.1=12...(53) HB3 LYS 24 + HE2 LYS 24 OK 47 53 100 89 2.0-5.1 5.1=42, 482/6.4=17...(27) HB3 LYS 26 + HE2 LYS 26 OK 44 50 100 88 3.3-5.0 4.8=49, 6251/7.1=12...(53) HB2 LYS 36 + HE3 LYS 36 OK 43 46 100 94 2.0-4.5 4.9=45, ~1042=19...(65) HB2 LYS 36 + HE2 LYS 36 OK 43 46 100 94 3.3-4.7 4.9=45, ~1042=19...(65) HB3 LYS 24 + HE3 LYS 24 OK 42 47 100 90 2.8-5.3 5.1=42, 482/6.4=17...(27) HB3 LYS 26 + HE3 LYS 26 OK 39 47 95 88 2.0-5.4 4.8=49, 6251/7.1=12...(53) HB ILE 32 + HE2 LYS 36 OK 28 56 55 91 3.4-7.6 2.1/10766=17, ~10757=13...(41) HB ILE 32 + HE3 LYS 36 OK 23 56 45 91 2.0-7.9 2.1/10766=19, ~10837=12...(43) HB3 LYS 19 - HE2 LYS 24 poor 19 64 30 - 2.6-16.3 HB ILE 32 - HE3 LYS 26 poor 19 54 35 - 4.6-19.4 HB ILE 32 - HE3 LYS 31 poor 17 58 30 - 4.6-10.3 HB ILE 32 - HE2 LYS 31 poor 15 57 40 66 4.3-9.5 3.2/9008=6, 2.1/10766=6...(25) HB3 LYS 19 - HE3 LYS 24 poor 14 57 25 - 3.9-16.9 HB2 LYS 36 - HE3 LYS 26 poor 13 44 30 - 2.6-28.9 HB ILE 32 - HE2 LYS 26 far 9 57 15 - 4.8-19.8 HB3 ARG 23 - HE3 LYS 26 poor 8 42 20 - 2.6-15.2 HB3 LYS 31 - HE2 LYS 26 far 8 55 15 - 2.2-19.2 HB3 LYS 31 - HE3 LYS 26 far 8 52 15 - 3.3-19.0 HB2 LYS 36 - HE2 LYS 26 far 7 47 15 - 2.4-29.4 HB3 ARG 23 - HE2 LYS 26 poor 7 45 45 33 3.0-13.9 3.0/11618=5, ~11618=3...(5) HB3 LYS 26 - HE3 LYS 31 far 5 51 10 - 4.4-13.0 HB3 LYS 26 - HE2 LYS 31 far 5 50 10 - 3.9-12.8 HB3 LYS 26 - HE2 LYS 36 far 5 49 10 - 4.2-22.7 HB2 LEU 48 - HE2 LYS 26 far 3 60 5 - 4.7-30.3 HB2 LEU 48 - HE3 LYS 36 far 3 59 5 - 4.9-16.7 HB2 LEU 48 - HE3 LYS 26 far 3 56 5 - 5.2-30.6 HB2 LEU 48 - HE3 LYS 24 far 3 55 5 - 4.9-28.4 HB3 LYS 31 - HE3 LYS 36 far 3 54 5 - 4.9-14.1 HB3 LYS 31 - HE2 LYS 36 far 3 54 5 - 5.3-14.3 HB3 LYS 24 - HE2 LYS 19 far 3 53 5 - 3.5-17.2 HB3 LYS 24 - HE3 LYS 19 far 3 53 5 - 4.6-17.1 HB3 LYS 24 - HE2 LYS 36 far 3 51 5 - 3.5-25.9 HB3 LYS 26 - HE2 LYS 24 far 3 51 5 - 5.2-13.2 HB3 LYS 24 - HE3 LYS 36 far 3 51 5 - 5.2-26.7 HB3 LYS 26 - HE3 LYS 36 far 2 49 5 - 5.3-23.0 HB3 LYS 24 - HE3 LYS 26 far 2 49 5 - 4.8-12.9 HB3 ARG 23 - HE2 LYS 36 far 2 44 5 - 3.5-23.5 HB3 ARG 23 - HE3 LYS 36 far 2 44 5 - 4.4-24.0 HB3 ARG 23 - HE3 LYS 31 far 0 46 0 - 5.4-20.0 HB3 LYS 24 - HE2 LYS 26 far 0 52 0 - 5.5-13.1 HB2 LYS 36 - HE3 LYS 31 far 0 48 0 - 5.6-14.2 HB3 LYS 31 - HE2 LYS 19 far 0 57 0 - 5.8-26.9 HB2 LEU 48 - HE2 LYS 24 far 0 61 0 - 5.9-30.0 HB3 LYS 26 - HE3 LYS 24 far 0 46 0 - 6.0-13.6 HB3 LYS 31 - HE2 LYS 24 far 0 56 0 - 6.0-19.3 HB2 LYS 36 - HE2 LYS 24 far 0 48 0 - 6.1-29.9 HB3 LYS 19 - HE2 LYS 26 far 0 63 0 - 6.1-23.7 HB3 LYS 31 - HE3 LYS 19 far 0 57 0 - 6.2-27.1 HB2 LYS 36 - HE2 LYS 31 far 0 47 0 - 6.2-12.8 HB3 ARG 23 - HE2 LYS 31 far 0 45 0 - 6.3-18.9 HB3 LYS 19 - HE2 LYS 31 far 0 63 0 - 6.5-26.1 HB2 LEU 48 - HE2 LYS 36 far 0 59 0 - 6.5-15.4 HB3 LEU 98 - HE3 LYS 24 far 0 60 0 - 6.5-36.2 HB3 LEU 98 - HE2 LYS 24 far 0 66 0 - 6.6-34.7 HB2 LEU 48 - HE3 LYS 31 far 0 61 0 - 6.7-25.2 HB3 LYS 31 - HE3 LYS 24 far 0 51 0 - 6.7-20.0 HB3 ARG 23 - HE3 LYS 24 far 0 41 0 - 7.0-10.6 HB3 ARG 23 - HE2 LYS 24 far 0 46 0 - 7.2-10.3 HB ILE 32 - HE2 LYS 24 far 0 58 0 - 7.3-20.7 HB3 LYS 19 - HE3 LYS 31 far 0 64 0 - 7.4-27.0 HB2 LYS 36 - HE3 LYS 24 far 0 42 0 - 7.5-29.6 HB3 LYS 24 - HE3 LYS 31 far 0 53 0 - 7.6-18.3 HB3 LYS 19 - HE3 LYS 26 far 0 59 0 - 7.6-23.7 HB3 LYS 24 - HE2 LYS 31 far 0 52 0 - 7.8-18.3 HB3 LYS 26 - HE3 LYS 19 far 0 52 0 - 8.0-25.2 HB2 ARG 84 - HE3 LYS 86 far 0 92 0 - 8.0-9.9 HB3 ARG 23 - HE3 LYS 19 far 0 46 0 - 8.2-16.9 HB2 LEU 48 - HE2 LYS 31 far 0 60 0 - 8.3-23.9 HB ILE 32 - HE3 LYS 24 far 0 52 0 - 8.3-20.7 HB3 LEU 103 - HE3 LYS 26 far 0 67 0 - 8.5-25.1 HB3 LYS 26 - HE2 LYS 19 far 0 52 0 - 8.7-23.7 HB2 LEU 48 - HE3 LYS 19 far 0 61 0 - 8.9-37.7 HB3 LEU 122 - HE3 LYS 24 far 0 65 0 - 9.3-31.0 HB3 ARG 23 - HE2 LYS 19 far 0 46 0 - 9.5-15.7 HG LEU 100 - HE3 LYS 31 far 0 51 0 - 9.8-22.1 HB3 ARG 135 - HE3 LYS 86 far 0 73 0 - 9.8-15.2 HB3 LYS 19 - HE3 LYS 36 far 0 62 0 - 9.8-32.0 HB3 LEU 103 - HE2 LYS 26 far 0 71 0 - 9.8-24.8 HB2 LEU 48 - HE2 LYS 19 far 0 61 0 - 9.9-36.4 Violated in 0 structures by 0.00 A. Peak 2706 from aliabs.peaks (1.96, 2.95, 41.48 ppm; 3.36 A): 1 out of 40 assignments used, quality = 0.99: * HB3 LYS 86 + HE3 LYS 86 OK 99 100 100 99 1.8-4.0 2695/1.8=52, 3.0/2704=45...(18) HB3 ARG 90 - HE3 LYS 86 far 5 99 5 - 4.4-9.0 HB2 GLN 27 - HE2 LYS 26 far 3 68 5 - 4.7-9.6 HB2 GLN 27 - HE3 LYS 26 far 3 64 5 - 3.3-9.7 HB ILE 37 - HE2 LYS 36 far 3 63 5 - 4.3-9.3 HB2 GLN 27 - HE3 LYS 24 far 3 62 5 - 4.0-16.4 HB2 GLU 30 - HE3 LYS 19 far 3 57 5 - 4.0-27.0 HB2 GLU 30 - HE2 LYS 19 far 3 57 5 - 4.9-27.5 HB2 GLU 30 - HE2 LYS 31 far 3 55 5 - 4.1-9.8 HB2 GLU 30 - HE2 LYS 24 far 0 56 0 - 5.1-17.6 HB2 GLN 27 - HE2 LYS 24 far 0 69 0 - 5.3-15.5 HB2 GLN 27 - HE3 LYS 36 far 0 67 0 - 5.3-19.1 HB2 GLU 30 - HE3 LYS 31 far 0 56 0 - 5.5-9.8 HB2 GLN 27 - HE2 LYS 31 far 0 68 0 - 5.8-12.2 HB2 PRO 58 - HE3 LYS 19 far 0 70 0 - 5.8-38.7 HB ILE 37 - HE3 LYS 36 far 0 63 0 - 6.0-9.5 HB3 LYS 95 - HE3 LYS 24 far 0 52 0 - 6.0-34.3 HB2 GLU 30 - HE3 LYS 26 far 0 52 0 - 6.5-15.3 HB2 GLN 27 - HE3 LYS 31 far 0 69 0 - 6.5-12.3 HB2 GLN 27 - HE2 LYS 36 far 0 67 0 - 6.7-18.4 HB2 GLU 30 - HE3 LYS 24 far 0 51 0 - 6.8-18.6 HB2 LYS 95 - HE3 LYS 24 far 0 47 0 - 6.8-34.1 HB2 GLU 30 - HE2 LYS 26 far 0 55 0 - 7.0-15.3 HB2 PRO 58 - HE2 LYS 19 far 0 70 0 - 7.0-38.8 HB3 PRO 81 - HE3 LYS 86 far 0 100 0 - 7.0-11.2 HB3 LYS 95 - HE2 LYS 24 far 0 58 0 - 7.4-32.8 HB2 GLU 30 - HE3 LYS 36 far 0 54 0 - 7.5-14.8 HB2 PRO 58 - HE3 LYS 26 far 0 64 0 - 7.6-27.3 HB ILE 37 - HE2 LYS 26 far 0 64 0 - 7.6-26.7 HB2 LYS 95 - HE2 LYS 24 far 0 53 0 - 8.0-32.6 HB2 GLN 27 - HE2 LYS 19 far 0 70 0 - 8.2-25.8 HB ILE 37 - HE3 LYS 26 far 0 60 0 - 8.4-26.6 HB2 GLN 27 - HE3 LYS 19 far 0 70 0 - 8.5-24.9 HB2 PRO 58 - HE2 LYS 26 far 0 68 0 - 8.5-27.1 HB ILE 37 - HE2 LYS 24 far 0 65 0 - 8.7-28.3 HG LEU 53 - HE2 LYS 26 far 0 50 0 - 9.0-26.0 HB2 GLU 30 - HE2 LYS 36 far 0 54 0 - 9.1-14.4 HB ILE 37 - HE2 LYS 31 far 0 64 0 - 9.1-17.8 HB ILE 37 - HE3 LYS 24 far 0 59 0 - 9.6-28.8 HB ILE 37 - HE3 LYS 31 far 0 65 0 - 9.6-18.7 Violated in 2 structures by 0.05 A. Peak 2707 from aliabs.peaks (1.41, 2.95, 41.48 ppm; 3.58 A): 7 out of 80 assignments used, quality = 1.00: * HG2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.0-2.9 3.7=88, 3.0/2706=59...(15) HG2 LYS 26 + HE2 LYS 26 OK 56 57 100 98 2.0-3.9 3.6=97, 6252/7.1=12...(17) HG2 LYS 26 + HE3 LYS 26 OK 52 54 100 98 2.0-4.0 3.6=97, 6252/7.1=12...(17) HG3 LYS 19 + HE3 LYS 19 OK 42 46 100 92 2.3-3.8 3.8=83, 6152/7.3=6...(26) HG3 LYS 19 + HE2 LYS 19 OK 42 46 100 92 2.3-4.0 3.8=83, 6152/7.3=6...(26) HG3 LYS 31 + HE3 LYS 31 OK 36 38 100 95 2.0-4.2 3.7=92, 3.8/11873=5...(19) HG3 LYS 31 + HE2 LYS 31 OK 36 37 100 95 2.4-4.2 3.7=92, 3.8/11873=5...(19) HG13 ILE 32 - HE2 LYS 36 poor 18 59 30 - 2.8-9.0 HG13 ILE 32 - HE3 LYS 36 poor 17 59 35 84 3.2-9.5 3.2/10766=14...(33) HG13 ILE 32 - HE3 LYS 31 poor 15 61 40 61 2.0-9.6 2.1/9008=6, 10757/6.5=6...(23) HG13 ILE 32 - HE2 LYS 31 poor 14 60 40 59 2.3-9.1 2.1/9008=7, 10757/6.5=6...(23) HG13 ILE 32 - HE3 LYS 26 poor 14 56 40 62 2.0-17.3 3.2/10766=7, ~10767=6...(23) HG13 ILE 32 - HE2 LYS 26 poor 13 60 35 63 2.1-17.7 3.2/10766=7, 2.1/9008=7...(23) QB ALA 28 - HE2 LYS 31 poor 7 36 20 - 4.7-10.1 HG3 LYS 19 - HE2 LYS 24 far 7 46 15 - 3.4-18.5 QB ALA 16 - HE2 LYS 19 far 5 50 10 - 4.4-10.6 HG3 LYS 19 - HE3 LYS 24 far 4 41 10 - 4.8-19.1 QB ALA 28 - HE3 LYS 31 far 4 36 10 - 4.1-9.8 QB ALA 28 - HE2 LYS 24 far 4 36 10 - 4.5-13.8 HG2 LYS 26 - HE3 LYS 36 far 3 56 5 - 3.8-24.9 HG2 LYS 26 - HE2 LYS 36 far 3 56 5 - 4.1-24.5 QB ALA 16 - HE3 LYS 19 far 2 50 5 - 3.5-9.7 QB ALA 16 - HE2 LYS 24 far 2 50 5 - 3.4-18.8 QB ALA 16 - HE3 LYS 31 far 2 50 5 - 5.0-24.1 QB ALA 16 - HE3 LYS 24 far 2 44 5 - 4.4-18.8 QB ALA 109 - HE3 LYS 19 far 2 42 5 - 4.7-41.8 HG2 LYS 95 - HE3 LYS 24 far 2 39 5 - 4.3-36.3 HG3 LYS 31 - HE2 LYS 24 far 2 38 5 - 4.1-18.0 HG3 LYS 31 - HE2 LYS 26 far 2 37 5 - 4.3-18.5 HG3 LYS 31 - HE2 LYS 36 far 2 37 5 - 4.3-14.3 HG3 LYS 31 - HE3 LYS 36 far 2 37 5 - 4.5-14.3 HG3 LYS 31 - HE3 LYS 26 far 2 35 5 - 4.8-18.3 HG3 LYS 95 - HE3 LYS 24 far 2 34 5 - 4.2-36.6 QB ALA 109 - HE2 LYS 19 far 0 42 0 - 5.1-43.2 QB ALA 34 - HE2 LYS 36 far 0 70 0 - 5.1-8.4 HG3 LYS 95 - HE2 LYS 24 far 0 38 0 - 5.2-35.1 HG3 LYS 31 - HE3 LYS 24 far 0 34 0 - 5.2-18.7 QB ALA 109 - HE3 LYS 26 far 0 39 0 - 5.3-26.1 QB ALA 28 - HE3 LYS 24 far 0 32 0 - 5.3-13.7 QB ALA 34 - HE3 LYS 36 far 0 70 0 - 5.3-9.2 HG2 LYS 26 - HE2 LYS 31 far 0 57 0 - 5.4-15.0 QB ALA 28 - HE3 LYS 26 far 0 33 0 - 5.4-9.7 QB ALA 16 - HE3 LYS 36 far 0 48 0 - 5.5-25.6 QB ALA 34 - HE2 LYS 26 far 0 71 0 - 5.7-20.7 HG2 LYS 95 - HE2 LYS 24 far 0 44 0 - 5.7-34.8 QB ALA 28 - HE3 LYS 19 far 0 37 0 - 5.7-22.4 QB ALA 16 - HE2 LYS 31 far 0 48 0 - 5.8-23.5 QB ALA 28 - HE2 LYS 26 far 0 36 0 - 5.9-10.2 HG2 LYS 26 - HE2 LYS 24 far 0 58 0 - 5.9-13.2 HG2 LYS 26 - HE3 LYS 24 far 0 52 0 - 6.0-13.5 HG2 LYS 26 - HE3 LYS 31 far 0 58 0 - 6.0-14.4 QB ALA 34 - HE3 LYS 24 far 0 66 0 - 6.1-23.8 QB ALA 34 - HE3 LYS 26 far 0 67 0 - 6.1-21.1 HG3 LYS 31 - HE3 LYS 19 far 0 39 0 - 6.4-26.3 QB ALA 28 - HE2 LYS 36 far 0 35 0 - 6.6-15.3 QB ALA 109 - HE2 LYS 26 far 0 41 0 - 6.6-27.0 QB ALA 34 - HE2 LYS 24 far 0 72 0 - 6.7-22.8 HG3 LYS 31 - HE2 LYS 19 far 0 39 0 - 6.7-25.4 QB ALA 16 - HE2 LYS 36 far 0 48 0 - 6.8-25.2 QB ALA 28 - HE2 LYS 19 far 0 37 0 - 6.8-23.2 QB ALA 28 - HE3 LYS 36 far 0 35 0 - 7.0-15.7 QB ALA 34 - HE2 LYS 31 far 0 71 0 - 7.0-12.5 HG3 LYS 19 - HE3 LYS 31 far 0 46 0 - 7.1-28.4 QB ALA 34 - HE3 LYS 31 far 0 72 0 - 7.1-12.4 QB ALA 109 - HE2 LYS 24 far 0 42 0 - 7.4-34.3 HG3 LYS 19 - HE2 LYS 31 far 0 45 0 - 7.5-27.6 HG13 ILE 32 - HE2 LYS 24 far 0 61 0 - 7.8-19.0 HG3 LYS 19 - HE2 LYS 26 far 0 45 0 - 8.0-25.3 HG13 ILE 32 - HE3 LYS 19 far 0 61 0 - 8.4-27.1 HG13 ILE 32 - HE2 LYS 19 far 0 61 0 - 8.6-27.3 QB ALA 92 - HE3 LYS 86 far 0 90 0 - 8.8-11.2 QB ALA 109 - HE3 LYS 24 far 0 37 0 - 8.9-35.4 HG13 ILE 32 - HE3 LYS 24 far 0 55 0 - 8.9-19.1 QB ALA 109 - HE3 LYS 31 far 0 42 0 - 9.0-28.2 HG3 LYS 19 - HE3 LYS 26 far 0 42 0 - 9.3-25.2 QB ALA 109 - HE2 LYS 31 far 0 41 0 - 9.4-28.8 HG3 LYS 19 - HE3 LYS 36 far 0 44 0 - 9.6-33.4 QB ALA 16 - HE3 LYS 26 far 0 45 0 - 9.8-22.1 QB ALA 16 - HE2 LYS 26 far 0 48 0 - 9.9-22.6 QB ALA 92 - HE3 LYS 24 far 0 53 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 2708 from aliabs.peaks (1.48, 2.95, 41.48 ppm; 4.88 A): 7 out of 49 assignments used, quality = 1.00: * HG3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 3.3-3.7 3.7=100 HG3 LYS 36 + HE2 LYS 36 OK 56 56 100 100 2.0-4.1 4.0=100 HG3 LYS 36 + HE3 LYS 36 OK 56 56 100 100 2.2-3.5 4.0=100 HG2 LYS 31 + HE3 LYS 31 OK 55 55 100 100 2.1-4.2 3.7=100 HG2 LYS 31 + HE2 LYS 31 OK 54 54 100 100 2.3-4.1 3.7=100 HG3 LYS 24 + HE2 LYS 24 OK 38 38 100 100 2.0-3.9 4.0=100 HG3 LYS 24 + HE3 LYS 24 OK 34 34 100 100 2.2-4.2 4.0=100 HG3 LYS 36 - HE2 LYS 26 poor 20 57 35 - 4.5-27.4 HG3 LYS 36 - HE3 LYS 26 poor 16 54 30 - 4.4-26.9 HG2 LYS 31 - HE2 LYS 26 poor 11 54 20 - 3.8-19.7 HG2 LYS 31 - HE3 LYS 26 poor 10 50 20 - 5.3-19.4 HG3 LYS 24 - HE2 LYS 19 poor 10 39 25 - 3.7-17.8 HG3 LYS 24 - HE3 LYS 19 poor 10 39 25 - 4.5-18.1 HG LEU 42 - HE3 LYS 36 far 10 64 15 - 4.4-13.5 HG LEU 42 - HE2 LYS 36 far 10 64 15 - 4.8-12.8 HG3 LYS 36 - HE2 LYS 31 far 9 57 15 - 4.4-14.3 HG2 LYS 31 - HE2 LYS 36 far 8 53 15 - 4.9-14.4 HG2 LYS 31 - HE3 LYS 36 far 8 53 15 - 5.4-14.2 HG3 LYS 36 - HE3 LYS 31 far 6 58 10 - 3.7-15.5 HG3 LYS 36 - HE2 LYS 24 far 3 58 5 - 4.6-28.4 HG2 LYS 31 - HE2 LYS 24 far 3 55 5 - 3.3-18.4 HG3 LYS 36 - HE3 LYS 24 far 3 52 5 - 6.2-28.3 HG2 LYS 31 - HE3 LYS 24 far 2 49 5 - 4.0-19.0 HG3 LYS 24 - HE2 LYS 36 far 2 37 5 - 3.2-24.6 HG3 LYS 24 - HE3 LYS 36 far 2 37 5 - 4.8-25.5 HG3 LYS 24 - HE3 LYS 26 far 0 35 0 - 6.5-13.4 HG3 LYS 24 - HE2 LYS 26 far 0 37 0 - 6.7-12.9 QB ALA 52 - HE3 LYS 19 far 0 72 0 - 6.9-30.9 QB ALA 52 - HE3 LYS 24 far 0 65 0 - 7.0-24.3 QB ALA 52 - HE2 LYS 24 far 0 72 0 - 7.1-25.0 HB2 LEU 49 - HE3 LYS 36 far 0 49 0 - 7.2-16.7 HG2 LYS 31 - HE3 LYS 19 far 0 55 0 - 7.3-26.2 QB ALA 52 - HE2 LYS 26 far 0 70 0 - 7.4-24.3 HB2 LEU 49 - HE3 LYS 24 far 0 46 0 - 7.5-25.3 HB2 LEU 49 - HE2 LYS 26 far 0 50 0 - 7.5-24.9 HB2 LEU 49 - HE3 LYS 26 far 0 47 0 - 7.6-25.3 HB2 LEU 49 - HE2 LYS 36 far 0 49 0 - 7.8-15.5 HG2 LYS 31 - HE2 LYS 19 far 0 55 0 - 7.9-25.9 QB ALA 52 - HE2 LYS 19 far 0 72 0 - 8.1-30.6 HG3 LYS 24 - HE3 LYS 31 far 0 38 0 - 8.2-17.8 QB ALA 52 - HE3 LYS 26 far 0 66 0 - 8.2-24.6 HB2 LEU 49 - HE2 LYS 24 far 0 51 0 - 8.4-26.2 QB ALA 52 - HE3 LYS 36 far 0 69 0 - 8.5-17.5 HG3 LYS 24 - HE2 LYS 31 far 0 37 0 - 8.5-17.7 HB2 LEU 49 - HE3 LYS 31 far 0 51 0 - 8.8-24.0 QB ALA 52 - HE2 LYS 36 far 0 69 0 - 9.0-16.4 HG LEU 42 - HE2 LYS 26 far 0 65 0 - 9.1-27.6 QB ALA 52 - HE3 LYS 31 far 0 72 0 - 9.4-24.2 HG3 LYS 36 - HE2 LYS 19 far 0 58 0 - 9.7-36.8 Violated in 0 structures by 0.00 A. Peak 2709 from aliabs.peaks (1.66, 2.95, 41.48 ppm; 3.29 A): 22 out of 119 assignments used, quality = 1.00: * HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 31 + HE3 LYS 31 OK 72 72 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE3 LYS 31 OK 72 72 100 100 2.4-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 72 72 100 100 2.3-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 71 71 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 71 71 100 100 2.4-3.0 2.9=100 HD3 LYS 31 + HE2 LYS 31 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 71 71 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 70 70 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 70 70 100 100 2.3-3.0 2.9=100 HD3 LYS 26 + HE2 LYS 26 OK 69 69 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 69 69 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 68 68 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 68 68 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 67 67 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 65 65 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 65 65 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 64 64 100 100 2.2-3.0 3.0=100 HD3 LYS 19 - HE2 LYS 24 poor 14 69 20 - 2.7-18.2 HD3 LYS 26 - HE3 LYS 36 poor 14 68 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 13 65 20 - 2.5-24.7 HD2 LYS 19 - HE2 LYS 24 far 11 71 15 - 2.6-17.0 HD2 LYS 26 - HE3 LYS 36 far 10 70 15 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 far 10 68 15 - 2.9-24.6 HD3 LYS 24 - HE2 LYS 19 far 7 72 10 - 4.2-18.5 HD2 LYS 24 - HE3 LYS 19 far 7 72 10 - 3.9-18.3 HD2 LYS 26 - HE2 LYS 36 far 7 70 10 - 1.9-25.5 HD3 LYS 36 - HE2 LYS 31 far 7 70 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 7 69 10 - 3.1-14.2 HD3 LYS 36 - HE3 LYS 26 far 7 66 10 - 3.6-25.8 HD2 LYS 19 - HE3 LYS 24 far 6 64 10 - 2.9-18.4 HD3 LYS 19 - HE3 LYS 24 far 6 62 10 - 2.2-19.0 HD3 LYS 24 - HE3 LYS 19 far 4 72 5 - 3.7-17.8 HD3 LYS 31 - HE2 LYS 24 far 4 72 5 - 4.7-18.8 HD3 LYS 31 - HE2 LYS 26 far 4 71 5 - 4.6-18.1 HD2 LYS 26 - HE2 LYS 31 far 4 71 5 - 3.3-15.6 HD2 LYS 36 - HE3 LYS 31 far 4 71 5 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 4 71 5 - 4.6-14.9 HD2 LYS 31 - HE2 LYS 36 far 4 70 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 36 far 3 70 5 - 4.3-12.0 HD3 LYS 36 - HE2 LYS 26 far 3 70 5 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 26 far 3 69 5 - 3.3-25.2 HD3 LYS 26 - HE2 LYS 31 far 3 69 5 - 4.2-14.6 HD3 LYS 31 - HE3 LYS 26 far 3 67 5 - 3.6-17.7 HD3 LYS 36 - HE3 LYS 31 far 0 71 0 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 0 72 0 - 4.9-15.3 HD3 LYS 31 - HE3 LYS 24 far 0 65 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 67 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 69 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 72 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 70 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 65 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 70 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 70 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 68 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 67 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 72 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 71 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 71 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 69 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 68 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 65 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 66 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 71 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 72 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 67 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 68 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 70 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 61 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 72 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 69 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 66 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 62 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 71 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 99 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 71 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 71 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 70 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 85 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 69 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 72 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 64 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 72 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 71 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 65 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 73 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 68 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 64 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 67 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 73 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 90 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 62 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 42 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 71 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 64 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 73 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 46 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 70 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 66 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 71 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 73 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 68 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 68 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 69 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 69 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 67 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 67 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 71 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 63 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 65 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 48 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 46 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 62 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 64 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 59 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 2710 from aliabs.peaks (1.65, 2.95, 41.48 ppm; 3.29 A): 22 out of 119 assignments used, quality = 1.00: * HD3 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 73 73 100 100 2.3-3.0 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 72 72 100 100 2.2-3.0 2.9=100 HD2 LYS 19 + HE3 LYS 19 OK 72 72 100 100 2.4-3.0 2.9=100 HD2 LYS 31 + HE3 LYS 31 OK 72 72 100 100 2.2-3.0 3.0=100 HD3 LYS 19 + HE2 LYS 19 OK 72 72 100 100 2.2-3.0 2.9=100 HD3 LYS 19 + HE3 LYS 19 OK 72 72 100 100 2.3-3.0 2.9=100 HD3 LYS 31 + HE3 LYS 31 OK 71 71 100 100 2.4-3.0 3.0=100 HD2 LYS 31 + HE2 LYS 31 OK 71 71 100 100 2.2-3.0 3.0=100 HD3 LYS 31 + HE2 LYS 31 OK 70 70 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE2 LYS 26 OK 69 69 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE2 LYS 26 OK 67 67 100 100 2.4-3.0 3.0=100 HD3 LYS 36 + HE2 LYS 36 OK 67 67 100 100 2.2-3.0 3.0=100 HD3 LYS 36 + HE3 LYS 36 OK 67 67 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE2 LYS 36 OK 66 66 100 100 2.2-3.0 3.0=100 HD2 LYS 36 + HE3 LYS 36 OK 66 66 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 66 66 100 100 2.2-3.0 3.0=100 HD2 LYS 26 + HE3 LYS 26 OK 65 65 100 100 2.2-3.0 3.0=100 HD3 LYS 26 + HE3 LYS 26 OK 63 63 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 62 62 100 100 2.2-3.0 3.0=100 HD3 LYS 19 - HE2 LYS 24 poor 14 71 20 - 2.7-18.2 HD3 LYS 26 - HE3 LYS 36 poor 13 66 20 - 3.8-24.9 HD2 LYS 36 - HE3 LYS 26 poor 13 63 20 - 2.5-24.7 HD2 LYS 19 - HE2 LYS 24 far 11 72 15 - 2.6-17.0 HD2 LYS 26 - HE3 LYS 36 far 10 68 15 - 3.3-25.8 HD3 LYS 26 - HE2 LYS 36 far 10 66 15 - 2.9-24.6 HD3 LYS 24 - HE2 LYS 19 far 7 73 10 - 4.2-18.5 HD2 LYS 24 - HE3 LYS 19 far 7 70 10 - 3.9-18.3 HD2 LYS 26 - HE2 LYS 36 far 7 68 10 - 1.9-25.5 HD3 LYS 36 - HE2 LYS 31 far 7 68 10 - 4.3-13.8 HD2 LYS 36 - HE2 LYS 31 far 7 67 10 - 3.1-14.2 HD2 LYS 19 - HE3 LYS 24 far 7 65 10 - 2.9-18.4 HD3 LYS 19 - HE3 LYS 24 far 6 64 10 - 2.2-19.0 HD3 LYS 36 - HE3 LYS 26 far 6 64 10 - 3.6-25.8 HD3 LYS 24 - HE3 LYS 19 far 4 73 5 - 3.7-17.8 HD3 LYS 31 - HE2 LYS 24 far 4 71 5 - 4.7-18.8 HD2 LYS 31 - HE2 LYS 36 far 3 70 5 - 4.6-13.1 HD3 LYS 31 - HE2 LYS 26 far 3 70 5 - 4.6-18.1 HD2 LYS 26 - HE2 LYS 31 far 3 69 5 - 3.3-15.6 HD3 LYS 31 - HE2 LYS 36 far 3 69 5 - 4.3-12.0 HD2 LYS 36 - HE3 LYS 31 far 3 68 5 - 3.6-14.4 HD3 LYS 26 - HE3 LYS 31 far 3 68 5 - 4.6-14.9 HD3 LYS 36 - HE2 LYS 26 far 3 68 5 - 4.7-26.1 HD2 LYS 36 - HE2 LYS 26 far 3 67 5 - 3.3-25.2 HD3 LYS 26 - HE2 LYS 31 far 3 67 5 - 4.2-14.6 HD3 LYS 31 - HE3 LYS 26 far 3 66 5 - 3.6-17.7 HD3 LYS 36 - HE3 LYS 31 far 0 69 0 - 4.8-13.8 HD2 LYS 26 - HE3 LYS 31 far 0 71 0 - 4.9-15.3 HD3 LYS 31 - HE3 LYS 24 far 0 64 0 - 5.0-18.2 HD2 LYS 31 - HE3 LYS 26 far 0 67 0 - 5.2-17.8 HD2 LYS 24 - HE2 LYS 36 far 0 67 0 - 5.2-24.7 HD2 LYS 24 - HE2 LYS 19 far 0 70 0 - 5.2-19.0 HD3 LYS 31 - HE3 LYS 36 far 0 69 0 - 5.3-12.3 HD3 LYS 95 - HE3 LYS 24 far 0 64 0 - 5.3-36.2 HD2 LYS 31 - HE3 LYS 36 far 0 70 0 - 5.7-13.3 HD3 LYS 24 - HE2 LYS 36 far 0 70 0 - 5.7-25.1 HB2 LEU 69 - HE2 LYS 36 far 0 70 0 - 5.7-13.2 HD3 LYS 24 - HE3 LYS 26 far 0 67 0 - 5.7-13.3 HD2 LYS 31 - HE2 LYS 24 far 0 72 0 - 5.9-17.4 HD2 LYS 31 - HE2 LYS 26 far 0 71 0 - 6.0-18.3 HD2 LYS 36 - HE2 LYS 24 far 0 68 0 - 6.3-25.9 HD2 LYS 19 - HE2 LYS 31 far 0 71 0 - 6.4-27.0 HB2 LEU 69 - HE3 LYS 36 far 0 70 0 - 6.4-14.0 HD2 LYS 95 - HE3 LYS 24 far 0 66 0 - 6.5-37.7 HD2 LYS 31 - HE3 LYS 24 far 0 65 0 - 6.5-18.3 HD3 LYS 24 - HE2 LYS 26 far 0 71 0 - 6.6-12.2 HD3 LYS 95 - HE2 LYS 24 far 0 71 0 - 6.6-34.7 HB2 LEU 98 - HE2 LYS 24 far 0 70 0 - 6.6-36.1 HD3 LYS 19 - HE2 LYS 31 far 0 70 0 - 6.7-28.5 HD2 LYS 24 - HE2 LYS 26 far 0 68 0 - 6.9-13.2 HB2 LEU 98 - HE3 LYS 24 far 0 63 0 - 7.0-37.6 HD2 LYS 26 - HE2 LYS 24 far 0 71 0 - 7.0-12.4 HD2 LYS 24 - HE3 LYS 36 far 0 67 0 - 7.0-25.6 HD2 LYS 24 - HE3 LYS 26 far 0 64 0 - 7.0-13.6 HG LEU 43 - HE3 LYS 36 far 0 65 0 - 7.0-16.3 HD3 LYS 36 - HE2 LYS 24 far 0 69 0 - 7.0-26.2 QB ALA 88 - HE3 LYS 86 far 0 97 0 - 7.2-9.2 HD3 LYS 26 - HE2 LYS 24 far 0 68 0 - 7.2-13.0 HD2 LYS 24 - HE3 LYS 31 far 0 69 0 - 7.4-18.2 HD3 LYS 24 - HE3 LYS 36 far 0 70 0 - 7.4-26.2 HG2 ARG 84 - HE3 LYS 86 far 0 90 0 - 7.5-11.1 HD3 LYS 19 - HE3 LYS 31 far 0 71 0 - 7.5-29.3 HD3 LYS 24 - HE3 LYS 31 far 0 73 0 - 7.5-19.1 HD2 LYS 36 - HE3 LYS 24 far 0 62 0 - 7.6-25.8 HD2 LYS 95 - HE2 LYS 24 far 0 72 0 - 7.6-36.1 HD2 LYS 19 - HE3 LYS 31 far 0 72 0 - 7.6-27.9 HD2 LYS 26 - HE3 LYS 24 far 0 64 0 - 7.6-12.5 HD3 LYS 31 - HE3 LYS 19 far 0 72 0 - 7.7-25.4 HD2 LYS 19 - HE3 LYS 36 far 0 70 0 - 7.8-34.4 HD3 LYS 26 - HE3 LYS 24 far 0 62 0 - 7.8-13.8 HD3 LYS 19 - HE3 LYS 36 far 0 69 0 - 7.9-34.2 HD3 LYS 31 - HE2 LYS 19 far 0 72 0 - 7.9-25.4 HG3 ARG 84 - HE3 LYS 86 far 0 95 0 - 8.0-11.1 HG LEU 43 - HE2 LYS 36 far 0 65 0 - 8.2-15.3 HD2 LYS 39 - HE3 LYS 24 far 0 37 0 - 8.3-35.1 HB2 LEU 69 - HE3 LYS 31 far 0 72 0 - 8.3-18.6 HD3 LYS 36 - HE3 LYS 24 far 0 62 0 - 8.4-26.0 HD2 LYS 31 - HE3 LYS 19 far 0 73 0 - 8.6-25.1 HD2 LYS 39 - HE3 LYS 36 far 0 40 0 - 8.7-18.7 HD2 LYS 24 - HE2 LYS 31 far 0 68 0 - 8.7-18.2 HB2 LEU 98 - HE2 LYS 26 far 0 69 0 - 8.8-31.0 HD3 LYS 24 - HE2 LYS 31 far 0 71 0 - 8.9-18.8 HD2 LYS 31 - HE2 LYS 19 far 0 73 0 - 9.0-24.6 HD3 LYS 19 - HE2 LYS 26 far 0 70 0 - 9.0-25.6 HD2 LYS 19 - HE2 LYS 36 far 0 70 0 - 9.2-34.1 HD2 LYS 19 - HE2 LYS 26 far 0 71 0 - 9.2-23.9 HB2 LEU 69 - HE2 LYS 31 far 0 71 0 - 9.4-18.0 HG LEU 62 - HE3 LYS 19 far 0 70 0 - 9.4-36.8 HD3 LYS 19 - HE2 LYS 36 far 0 69 0 - 9.4-33.8 HD3 LYS 26 - HE3 LYS 19 far 0 69 0 - 9.7-24.1 HG LEU 43 - HE2 LYS 31 far 0 66 0 - 9.7-22.1 HB2 LEU 69 - HE3 LYS 26 far 0 67 0 - 9.7-23.5 HD2 LYS 39 - HE2 LYS 24 far 0 42 0 - 9.7-34.5 HD2 LYS 39 - HE2 LYS 36 far 0 40 0 - 9.7-18.2 HB2 LEU 98 - HE3 LYS 26 far 0 65 0 - 9.7-31.1 HD3 LYS 19 - HE3 LYS 26 far 0 66 0 - 9.8-25.6 HG LEU 43 - HE3 LYS 26 far 0 62 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 2711 from aliabs.peaks (3.06, 2.95, 41.48 ppm; 2.92 A): 1 out of 5 assignments used, quality = 1.00: * HE2 LYS 86 + HE3 LYS 86 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 5 - HE2 LYS 31 far 0 70 0 - 4.6-47.9 HB3 HIS 5 - HE3 LYS 31 far 0 71 0 - 6.0-46.7 HB3 HIS 5 - HE3 LYS 24 far 0 64 0 - 9.5-41.5 HB3 HIS 5 - HE2 LYS 26 far 0 70 0 - 9.9-49.2 Violated in 0 structures by 0.00 A. Peak 2712 from aliabs.peaks (2.95, 2.95, 41.48 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 73 73 - 100 HE2 LYS 19 + HE2 LYS 19 OK 73 73 - 100 HE3 LYS 31 + HE3 LYS 31 OK 72 72 - 100 HE2 LYS 24 + HE2 LYS 24 OK 72 72 - 100 HE2 LYS 31 + HE2 LYS 31 OK 70 70 - 100 HE2 LYS 26 + HE2 LYS 26 OK 70 70 - 100 HE2 LYS 36 + HE2 LYS 36 OK 69 69 - 100 HE3 LYS 36 + HE3 LYS 36 OK 69 69 - 100 HE3 LYS 26 + HE3 LYS 26 OK 65 65 - 100 HE3 LYS 24 + HE3 LYS 24 OK 62 62 - 100 Peak 2715 from aliabs.peaks (4.27, 4.27, 61.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA PHE 87 + HA PHE 87 OK 100 100 - 100 HA SER 74 + HA SER 74 OK 33 33 - 100 HA THR 25 + HA THR 25 OK 20 20 - 100 Peak 2716 from aliabs.peaks (3.23, 4.27, 61.07 ppm; 3.64 A): 2 out of 8 assignments used, quality = 1.00: * HB2 PHE 87 + HA PHE 87 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 87 + HA PHE 87 OK 99 99 100 100 2.3-3.0 3.0=100 HA VAL 93 - HA SER 74 far 2 22 10 - 5.1-6.0 HB3 HIS 10 - HA THR 25 far 0 22 0 - 5.5-27.6 HB2 HIS 5 - HA THR 25 far 0 28 0 - 6.7-42.3 HB3 CYS 125 - HA SER 74 far 0 23 0 - 8.8-12.1 HB3 HIS 4 - HA THR 25 far 0 28 0 - 9.4-46.6 HD3 ARG 135 - HA PHE 87 far 0 99 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 2717 from aliabs.peaks (3.23, 4.27, 61.07 ppm; 3.64 A): 2 out of 7 assignments used, quality = 1.00: * HB3 PHE 87 + HA PHE 87 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PHE 87 + HA PHE 87 OK 99 99 100 100 2.4-3.0 3.0=100 HA VAL 93 - HA SER 74 far 3 30 10 - 5.1-6.0 HB3 HIS 10 - HA THR 25 far 0 26 0 - 5.5-27.6 HB2 HIS 5 - HA THR 25 far 0 29 0 - 6.7-42.3 HB3 HIS 4 - HA THR 25 far 0 29 0 - 9.4-46.6 HD3 ARG 135 - HA PHE 87 far 0 100 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 2718 from aliabs.peaks (7.32, 4.27, 61.07 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 87 + HA PHE 87 OK 100 100 100 100 2.3-3.0 3.7=100 HE ARG 90 + HA PHE 87 OK 46 81 65 88 2.2-6.9 4.8/2723=35, 4.8/2804=21...(14) HZ PHE 89 - HA SER 74 poor 10 39 25 - 4.9-6.9 HE ARG 90 - HA SER 74 poor 7 30 25 - 4.9-10.0 Violated in 0 structures by 0.00 A. Peak 2719 from aliabs.peaks (7.27, 4.27, 61.07 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.85: * QE PHE 87 + HA PHE 87 OK 85 100 100 85 4.3-4.6 5.6=68, 7168/2.9=25...(5) HD2 HIS 10 - HA THR 25 far 0 26 0 - 6.6-30.3 H ASN 85 - HA PHE 87 far 0 98 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 2722 from aliabs.peaks (8.57, 4.27, 61.07 ppm; 5.42 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 90 + HA PHE 87 OK 100 100 100 100 3.7-4.2 7206=100, 3.8/2723=75...(17) H ARG 90 - HA SER 74 far 2 44 5 - 6.7-8.2 Violated in 0 structures by 0.00 A. Peak 2723 from aliabs.peaks (1.91, 4.27, 61.07 ppm; 4.43 A): 1 out of 9 assignments used, quality = 0.99: * HB2 ARG 90 + HA PHE 87 OK 99 100 100 99 3.7-5.5 3.8/7206=53...(18) HB2 ARG 90 - HA SER 74 poor 18 44 40 - 5.4-8.3 HB2 MET 11 - HA THR 25 far 1 28 5 - 5.3-25.0 HB2 GLU 40 - HA THR 25 far 1 24 5 - 5.5-30.9 HB2 GLU 30 - HA SER 74 far 1 24 5 - 5.8-25.2 HB3 LEU 48 - HA THR 25 far 1 21 5 - 4.9-27.4 HB3 LEU 49 - HA THR 25 far 0 29 0 - 7.7-22.2 HB3 ARG 84 - HA PHE 87 far 0 98 0 - 8.1-8.9 HB2 LYS 95 - HA SER 74 far 0 26 0 - 9.7-11.7 Violated in 16 structures by 0.48 A. Peak 2724 from aliabs.peaks (1.95, 4.27, 61.07 ppm; 4.18 A): 2 out of 14 assignments used, quality = 1.00: HB3 LYS 86 + HA PHE 87 OK 99 99 100 99 3.7-5.5 7157/2.9=68, ~7156=45...(26) * HB3 ARG 90 + HA PHE 87 OK 98 100 100 98 3.2-5.6 3.8/7206=47...(19) HB2 GLN 27 - HA THR 25 poor 5 24 20 - 4.1-8.6 HB2 GLU 30 - HA THR 25 far 4 26 15 - 4.9-11.1 HB3 ARG 90 - HA SER 74 far 2 44 5 - 5.7-8.5 HB2 GLU 30 - HA SER 74 far 0 39 0 - 5.8-25.2 HB2 GLN 27 - HA SER 74 far 0 37 0 - 8.1-27.0 HG LEU 53 - HA THR 25 far 0 24 0 - 8.2-23.9 HB2 LYS 95 - HA THR 25 far 0 24 0 - 9.0-28.0 HB3 LYS 95 - HA THR 25 far 0 26 0 - 9.2-28.0 HB2 PRO 58 - HA THR 25 far 0 29 0 - 9.5-26.2 HB2 LYS 95 - HA SER 74 far 0 37 0 - 9.7-11.7 HB3 LYS 86 - HA SER 74 far 0 43 0 - 9.8-11.7 HB ILE 37 - HA SER 74 far 0 33 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 2725 from aliabs.peaks (4.25, 3.23, 38.11 ppm; 3.81 A): 4 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HB2 PHE 87 OK 89 100 100 89 3.6-5.2 2530/4.0=39, 2532=29...(17) HA ARG 84 + HB3 PHE 87 OK 89 97 100 91 3.4-4.6 2530/4.0=39, 2532=29...(16) HA PHE 87 + HB2 PHE 87 OK 73 73 100 100 2.4-3.0 3.0=100 HA PHE 87 + HB3 PHE 87 OK 68 68 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2727 from aliabs.peaks (4.27, 3.23, 38.11 ppm; 3.93 A): 4 out of 4 assignments used, quality = 1.00: * HA PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.4-3.0 3.0=100 HA PHE 87 + HB3 PHE 87 OK 97 97 100 100 2.3-3.0 3.0=100 HA ARG 84 + HB2 PHE 87 OK 61 73 100 83 3.6-5.2 2530/4.0=26, 5522/2.5=22...(17) HA ARG 84 + HB3 PHE 87 OK 59 68 100 87 3.4-4.6 2530/4.0=26, 5522/2.5=22...(17) Violated in 0 structures by 0.00 A. Peak 2728 from aliabs.peaks (3.23, 3.23, 38.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 87 + HB2 PHE 87 OK 100 100 - 100 HB3 PHE 87 + HB3 PHE 87 OK 95 95 - 100 Peak 2729 from aliabs.peaks (3.23, 3.23, 38.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 PHE 87 + HB2 PHE 87 OK 99 99 - 100 HB3 PHE 87 + HB3 PHE 87 OK 97 97 - 100 Reference assignment not found: HB3 PHE 87 - HB2 PHE 87 Peak 2730 from aliabs.peaks (7.32, 3.23, 38.11 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 87 + HB2 PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 QD PHE 87 + HB3 PHE 87 OK 97 97 100 100 2.3-2.7 2.5=100 HE ARG 90 - HB2 PHE 87 poor 16 81 20 - 4.5-9.5 HE ARG 90 - HB3 PHE 87 poor 15 75 20 - 4.3-9.9 Violated in 0 structures by 0.00 A. Peak 2731 from aliabs.peaks (7.27, 3.23, 38.11 ppm; 4.84 A): 4 out of 4 assignments used, quality = 1.00: * QE PHE 87 + HB2 PHE 87 OK 100 100 100 100 4.4-4.5 4.4=100 QE PHE 87 + HB3 PHE 87 OK 97 97 100 100 4.4-4.5 4.4=100 H ASN 85 + HB3 PHE 87 OK 71 94 95 80 5.5-6.8 3.6/2532=32, 7115/4.0=28...(8) H ASN 85 + HB2 PHE 87 OK 46 98 60 77 5.6-7.3 3.6/2531=31, 7115/4.0=28...(9) Violated in 0 structures by 0.00 A. Peak 2734 from aliabs.peaks (4.25, 3.23, 38.11 ppm; 3.81 A): 4 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HB3 PHE 87 OK 91 100 100 91 3.4-4.6 2530/4.0=39, 2532=30...(16) HA ARG 84 + HB2 PHE 87 OK 86 97 100 89 3.6-5.2 2530/4.0=39, 2532=29...(16) HA PHE 87 + HB3 PHE 87 OK 73 73 100 100 2.3-3.0 3.0=100 HA PHE 87 + HB2 PHE 87 OK 68 68 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2736 from aliabs.peaks (4.27, 3.23, 38.11 ppm; 3.93 A): 4 out of 4 assignments used, quality = 1.00: * HA PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.3-3.0 3.0=100 HA PHE 87 + HB2 PHE 87 OK 97 97 100 100 2.4-3.0 3.0=100 HA ARG 84 + HB3 PHE 87 OK 63 73 100 86 3.4-4.6 2530/4.0=26, 5522/2.5=22...(17) HA ARG 84 + HB2 PHE 87 OK 56 68 100 83 3.6-5.2 2530/4.0=26, 5522/2.5=22...(17) Violated in 0 structures by 0.00 A. Peak 2737 from aliabs.peaks (3.23, 3.23, 38.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 87 + HB3 PHE 87 OK 99 99 - 100 HB2 PHE 87 + HB2 PHE 87 OK 97 97 - 100 Reference assignment not found: HB2 PHE 87 - HB3 PHE 87 Peak 2738 from aliabs.peaks (3.23, 3.23, 38.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 87 + HB3 PHE 87 OK 100 100 - 100 HB2 PHE 87 + HB2 PHE 87 OK 95 95 - 100 Peak 2739 from aliabs.peaks (7.32, 3.23, 38.11 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 87 + HB3 PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 QD PHE 87 + HB2 PHE 87 OK 97 97 100 100 2.3-2.7 2.5=100 HE ARG 90 - HB3 PHE 87 poor 16 81 20 - 4.3-9.9 HE ARG 90 - HB2 PHE 87 poor 15 75 20 - 4.5-9.5 Violated in 0 structures by 0.00 A. Peak 2740 from aliabs.peaks (7.27, 3.23, 38.11 ppm; 4.84 A): 4 out of 4 assignments used, quality = 1.00: * QE PHE 87 + HB3 PHE 87 OK 100 100 100 100 4.4-4.5 4.4=100 QE PHE 87 + HB2 PHE 87 OK 97 97 100 100 4.4-4.5 4.4=100 H ASN 85 + HB3 PHE 87 OK 74 98 95 80 5.5-6.8 3.6/2532=32, 7115/4.0=28...(8) H ASN 85 + HB2 PHE 87 OK 43 94 60 76 5.6-7.3 3.6/2532=32, 7115/4.0=28...(8) Violated in 0 structures by 0.00 A. Peak 2743 from aliabs.peaks (7.86, 4.20, 54.66 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 88 + HA ALA 88 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 128 - HA ALA 88 far 0 81 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 2744 from aliabs.peaks (4.20, 4.20, 54.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 88 + HA ALA 88 OK 100 100 - 100 Peak 2745 from aliabs.peaks (1.66, 4.20, 54.66 ppm; 2.94 A): 1 out of 7 assignments used, quality = 1.00: * QB ALA 88 + HA ALA 88 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 95 - HA ALA 88 far 0 100 0 - 6.9-10.4 HG2 ARG 84 - HA ALA 88 far 0 68 0 - 7.1-10.7 HD2 LYS 95 - HA ALA 88 far 0 98 0 - 7.3-10.9 HG3 ARG 84 - HA ALA 88 far 0 76 0 - 7.4-10.4 HD2 LYS 86 - HA ALA 88 far 0 99 0 - 8.2-11.0 HD3 LYS 86 - HA ALA 88 far 0 97 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 2748 from aliabs.peaks (1.99, 4.20, 54.66 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 91 + HA ALA 88 OK 100 100 100 100 2.4-2.8 2860=100, 1.8/2868=82...(19) HG2 ARG 90 - HA ALA 88 poor 16 63 45 56 5.0-6.6 4.6/7208=20...(10) HB ILE 129 - HA ALA 88 far 0 99 0 - 8.4-9.9 HG2 PRO 81 - HA ALA 88 far 0 96 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2749 from aliabs.peaks (2.03, 4.20, 54.66 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 91 + HA ALA 88 OK 100 100 100 100 3.4-4.4 2868=100, 1.8/2860=82...(16) HG2 ARG 90 + HA ALA 88 OK 51 97 75 69 5.0-6.6 2822/7227=29...(9) HG3 ARG 135 - HA ALA 88 far 0 100 0 - 9.1-11.6 HG2 PRO 81 - HA ALA 88 far 0 68 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2750 from aliabs.peaks (4.81, 1.66, 18.14 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.91: * HA ASN 85 + QB ALA 88 OK 91 100 100 91 2.7-3.3 7174/7185=40...(15) Violated in 4 structures by 0.01 A. Peak 2751 from aliabs.peaks (7.86, 1.66, 18.14 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 88 + QB ALA 88 OK 100 100 100 100 2.1-2.2 3.0=100 H GLU 128 - QB ALA 88 far 0 81 0 - 6.8-9.3 Violated in 0 structures by 0.00 A. Peak 2752 from aliabs.peaks (4.20, 1.66, 18.14 ppm; 2.88 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 88 + QB ALA 88 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 128 - QB ALA 88 far 0 95 0 - 5.6-8.5 Violated in 0 structures by 0.00 A. Peak 2753 from aliabs.peaks (1.66, 1.66, 18.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 88 + QB ALA 88 OK 100 100 - 100 Peak 2756 from aliabs.peaks (4.08, 4.08, 62.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 89 + HA PHE 89 OK 100 100 - 100 Peak 2757 from aliabs.peaks (3.32, 4.08, 62.01 ppm; 5.02 A): 3 out of 3 assignments used, quality = 1.00: * HB2 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PHE 89 + HA PHE 89 OK 81 81 100 100 2.4-3.0 3.0=100 HB3 CYS 73 + HA PHE 89 OK 30 99 45 67 5.4-8.1 11148/6.0=27...(10) Violated in 0 structures by 0.00 A. Peak 2758 from aliabs.peaks (3.34, 4.08, 62.01 ppm; 5.06 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + HA PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 89 + HA PHE 89 OK 81 81 100 100 2.4-3.0 3.0=100 HB3 CYS 73 - HA PHE 89 poor 13 60 45 48 5.4-8.1 5536/3.1=13...(9) Violated in 0 structures by 0.00 A. Peak 2759 from aliabs.peaks (7.07, 4.08, 62.01 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + HA PHE 89 OK 100 100 100 100 2.9-3.3 3.1=100 Violated in 0 structures by 0.00 A. Peak 2763 from aliabs.peaks (7.82, 4.08, 62.01 ppm; 6.07 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HA PHE 89 OK 100 100 100 100 3.6-4.0 7247=100, 7257/2897=100...(16) Violated in 0 structures by 0.00 A. Peak 2764 from aliabs.peaks (1.43, 4.08, 62.01 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 92 + HA PHE 89 OK 100 100 100 100 2.8-3.4 2897=100, 7257/7247=69...(19) HG2 LYS 86 - HA PHE 89 far 0 90 0 - 6.5-8.3 QB ALA 34 - HA PHE 89 far 0 92 0 - 9.5-17.4 Violated in 0 structures by 0.00 A. Peak 2765 from aliabs.peaks (3.89, 3.32, 39.57 ppm; 5.21 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 86 + HB2 PHE 89 OK 100 100 100 100 1.9-3.5 11327/2.7=68...(19) HB2 SER 94 - HB2 PHE 89 far 0 96 0 - 8.2-10.8 HA3 GLY 75 - HB2 PHE 89 far 0 99 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 2767 from aliabs.peaks (4.08, 3.32, 39.57 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 74 - HB2 PHE 89 far 0 68 0 - 8.8-12.1 HA CYS 79 - HB2 PHE 89 far 0 83 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 2768 from aliabs.peaks (3.32, 3.32, 39.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 89 + HB2 PHE 89 OK 100 100 - 100 Peak 2769 from aliabs.peaks (3.34, 3.32, 39.57 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HB2 PHE 89 + HB2 PHE 89 OK 81 81 - 100 Reference assignment not found: HB3 PHE 89 - HB2 PHE 89 Peak 2770 from aliabs.peaks (7.07, 3.32, 39.57 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + HB2 PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 Violated in 0 structures by 0.00 A. Peak 2774 from aliabs.peaks (3.89, 3.34, 39.57 ppm; 6.22 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 86 + HB3 PHE 89 OK 100 100 100 100 2.1-3.5 11327/2.7=89...(16) HB2 SER 94 - HB3 PHE 89 far 0 96 0 - 9.2-11.4 HA3 GLY 75 - HB3 PHE 89 far 0 99 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 2776 from aliabs.peaks (4.08, 3.34, 39.57 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + HB3 PHE 89 OK 100 100 100 100 2.4-3.0 3.0=100 HA CYS 79 - HB3 PHE 89 far 0 83 0 - 9.5-10.7 HB3 SER 74 - HB3 PHE 89 far 0 68 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 2777 from aliabs.peaks (3.32, 3.34, 39.57 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HB3 PHE 89 + HB3 PHE 89 OK 81 81 - 100 Reference assignment not found: HB2 PHE 89 - HB3 PHE 89 Peak 2778 from aliabs.peaks (3.34, 3.34, 39.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 89 + HB3 PHE 89 OK 100 100 - 100 Peak 2779 from aliabs.peaks (7.07, 3.34, 39.57 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + HB3 PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 Violated in 0 structures by 0.00 A. Peak 2783 from aliabs.peaks (8.57, 3.80, 59.97 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HA ARG 90 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2784 from aliabs.peaks (3.80, 3.80, 59.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 90 + HA ARG 90 OK 100 100 - 100 Peak 2785 from aliabs.peaks (1.91, 3.80, 59.97 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 90 + HA ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 - HA ARG 90 far 0 73 0 - 8.0-9.7 HB2 GLU 30 - HA ARG 90 far 0 68 0 - 8.5-27.8 HB3 LYS 95 - HA ARG 90 far 0 65 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 2786 from aliabs.peaks (1.95, 3.80, 59.97 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 86 - HA ARG 90 far 0 99 0 - 6.6-8.1 HB2 LYS 95 - HA ARG 90 far 0 93 0 - 8.0-9.7 HB2 GLU 30 - HA ARG 90 far 0 96 0 - 8.5-27.8 HB3 LYS 95 - HA ARG 90 far 0 97 0 - 8.7-10.5 HB2 GLN 27 - HA ARG 90 far 0 93 0 - 10.0-28.9 Violated in 0 structures by 0.00 A. Peak 2787 from aliabs.peaks (2.02, 3.80, 59.97 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * HG2 ARG 90 + HA ARG 90 OK 100 100 100 100 3.1-4.0 3.8=98, 1.8/2824=74...(24) HB2 GLU 91 - HA ARG 90 far 0 63 0 - 5.5-5.8 HB3 GLU 91 - HA ARG 90 far 0 97 0 - 6.2-6.6 HB ILE 129 - HA ARG 90 far 0 83 0 - 7.1-8.4 HB3 GLU 30 - HA ARG 90 far 0 96 0 - 7.2-27.8 HG2 PRO 81 - HA ARG 90 far 0 90 0 - 9.8-12.9 Violated in 7 structures by 0.04 A. Peak 2788 from aliabs.peaks (1.74, 3.80, 59.97 ppm; 3.70 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 90 + HA ARG 90 OK 100 100 100 100 2.6-3.7 2824=91, 1.8/2787=71...(26) HG13 ILE 129 + HA ARG 90 OK 37 99 55 69 4.6-6.9 2.1/10467=19...(10) HB ILE 80 - HA ARG 90 far 0 100 0 - 7.1-8.8 HB3 LEU 70 - HA ARG 90 far 0 76 0 - 8.6-11.9 HG LEU 98 - HA ARG 90 far 0 63 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 2789 from aliabs.peaks (3.17, 3.80, 59.97 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 4.0-5.4 3.0/2787=79, 3.0/2824=79...(30) HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 3.8-5.5 3.0/2787=79, 3.0/2824=79...(30) Violated in 0 structures by 0.00 A. Peak 2790 from aliabs.peaks (3.16, 3.80, 59.97 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 90 + HA ARG 90 OK 100 100 100 100 3.8-5.5 3.0/2787=79, 3.0/2824=79...(30) HD2 ARG 90 + HA ARG 90 OK 100 100 100 100 4.0-5.4 3.0/2787=79, 3.0/2824=79...(30) HB3 TYR 76 - HA ARG 90 far 0 57 0 - 6.7-10.5 Violated in 0 structures by 0.00 A. Peak 2791 from aliabs.peaks (8.12, 3.80, 59.97 ppm; 6.77 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 91 + HA ARG 90 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 133 - HA ARG 90 far 0 85 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 2792 from aliabs.peaks (8.44, 3.80, 59.97 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 93 + HA ARG 90 OK 100 100 100 100 3.2-3.6 7262=86, 7270/9953=71...(14) H SER 74 - HA ARG 90 far 0 71 0 - 6.5-7.6 Violated in 0 structures by 0.00 A. Peak 2793 from aliabs.peaks (1.83, 3.80, 59.97 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 93 + HA ARG 90 OK 100 100 100 100 2.1-4.2 2.1/9953=73, 2.1/9962=69...(15) Violated in 1 structures by 0.02 A. Peak 2794 from aliabs.peaks (4.27, 1.91, 29.98 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA PHE 87 + HB2 ARG 90 OK 100 100 100 100 3.7-5.5 2723=100, 7206/3.8=95...(18) HA SER 74 + HB2 ARG 90 OK 63 87 100 72 5.4-8.3 11835/11839=24...(6) HA ALA 28 - HB2 ARG 90 far 0 68 0 - 8.9-29.1 HA ARG 84 - HB2 ARG 90 far 0 73 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 2796 from aliabs.peaks (3.80, 1.91, 29.98 ppm; 5.80 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2797 from aliabs.peaks (1.91, 1.91, 29.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 90 + HB2 ARG 90 OK 100 100 - 100 Peak 2798 from aliabs.peaks (1.95, 1.91, 29.98 ppm; 3.14 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 86 - HB2 ARG 90 far 0 99 0 - 4.9-7.9 HB2 GLU 30 - HB2 ARG 90 far 0 96 0 - 8.4-30.0 HB2 LYS 95 - HB2 ARG 90 far 0 93 0 - 8.7-11.6 HB3 LYS 95 - HB2 ARG 90 far 0 97 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 2799 from aliabs.peaks (2.02, 1.91, 29.98 ppm; 5.10 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 91 + HB2 ARG 90 OK 56 63 100 89 4.8-6.5 2861/4.4=34, 7219/3.8=27...(18) HB3 GLU 91 + HB2 ARG 90 OK 36 97 40 93 5.5-7.4 2869/4.4=66, ~2886=13...(17) HB3 GLU 30 - HB2 ARG 90 far 0 96 0 - 7.1-30.0 HB ILE 129 - HB2 ARG 90 far 0 83 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 2800 from aliabs.peaks (1.74, 1.91, 29.98 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.4-3.0 2.9=100 HB ILE 80 - HB2 ARG 90 far 0 100 0 - 6.0-9.9 HG13 ILE 129 - HB2 ARG 90 far 0 99 0 - 6.7-9.1 HG LEU 98 - HB2 ARG 90 far 0 63 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 2801 from aliabs.peaks (3.17, 1.91, 29.98 ppm; 5.64 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-4.0 3.8=100 HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.0-3.9 3.8=100 HD2 ARG 84 - HB2 ARG 90 far 0 76 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 2802 from aliabs.peaks (3.16, 1.91, 29.98 ppm; 5.64 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.0-3.9 3.8=100 HD2 ARG 90 + HB2 ARG 90 OK 100 100 100 100 2.2-4.0 3.8=100 HB3 TYR 76 - HB2 ARG 90 far 0 57 0 - 7.6-12.3 HD2 ARG 84 - HB2 ARG 90 far 0 68 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 2804 from aliabs.peaks (4.27, 1.95, 29.98 ppm; 6.80 A): 4 out of 22 assignments used, quality = 1.00: * HA PHE 87 + HB3 ARG 90 OK 100 100 100 100 3.2-5.6 2723/1.8=100...(22) HA SER 74 + HB3 ARG 90 OK 74 87 95 90 5.7-8.5 9592/11152=37...(10) HA LYS 31 + HB2 GLU 30 OK 70 70 100 100 4.0-5.8 ~6327=96, 3.0/6326=61...(22) HA ALA 28 + HB2 GLU 30 OK 41 41 100 100 4.4-6.3 ~10792=62, ~10743=47...(23) HA GLN 61 - HB2 GLU 30 poor 20 66 30 - 2.9-23.9 HA LYS 19 - HB2 GLU 30 poor 14 70 20 - 6.2-23.1 HA GLN 27 - HB2 GLU 30 poor 14 46 60 51 6.5-9.5 3.6/6297=23...(10) HA ARG 23 - HB2 GLU 30 poor 13 67 20 - 4.2-15.0 HA LYS 26 - HB2 GLU 30 poor 10 70 35 41 2.7-11.7 10816/10843=11...(9) HA ALA 15 - HB2 GLU 30 far 10 66 15 - 3.7-28.6 HA THR 18 - HB2 GLU 30 far 10 64 15 - 3.5-25.2 HA LEU 22 - HB2 GLU 30 far 3 69 5 - 6.4-19.3 HA ALA 28 - HB3 ARG 90 far 3 68 5 - 7.5-29.2 HA ALA 108 - HB2 GLU 30 far 3 68 5 - 7.9-29.4 HA SER 74 - HB2 GLU 30 far 3 55 5 - 5.8-25.2 HA ALA 21 - HB2 GLU 30 far 2 42 5 - 6.5-20.6 HA THR 25 - HB2 GLU 30 lone 2 51 40 9 4.9-11.1 11150/10791=3, 3.2/10766=2 HA ALA 109 - HB2 GLU 30 far 0 68 0 - 8.4-30.0 HA ALA 12 - HB2 GLU 30 far 0 59 0 - 8.4-29.7 HA ALA 16 - HB2 GLU 30 far 0 69 0 - 8.4-26.5 HA ARG 84 - HB3 ARG 90 far 0 73 0 - 8.6-11.1 HA ALA 110 - HB2 GLU 30 far 0 61 0 - 9.1-30.1 Violated in 0 structures by 0.00 A. Peak 2806 from aliabs.peaks (3.80, 1.95, 29.98 ppm; 5.55 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 PRO 58 - HB2 GLU 30 far 0 50 0 - 8.1-29.5 HA ARG 90 - HB2 GLU 30 far 0 70 0 - 8.5-27.8 HB3 SER 9 - HB2 GLU 30 far 0 70 0 - 9.5-37.3 HB3 SER 9 - HB3 ARG 90 far 0 100 0 - 9.5-52.3 Violated in 0 structures by 0.00 A. Peak 2807 from aliabs.peaks (1.91, 1.95, 29.98 ppm; 3.07 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 48 - HB2 GLU 30 far 0 53 0 - 6.5-23.1 HB2 MET 11 - HB2 GLU 30 far 0 69 0 - 7.2-35.0 HB2 GLU 30 - HB3 ARG 90 far 0 68 0 - 7.7-30.0 HB2 ARG 90 - HB2 GLU 30 far 0 70 0 - 8.4-30.0 HB2 LYS 95 - HB3 ARG 90 far 0 73 0 - 8.8-10.7 HB3 LEU 49 - HB2 GLU 30 far 0 70 0 - 9.1-20.4 HB3 LYS 36 - HB2 GLU 30 far 0 35 0 - 9.2-15.5 HB3 LYS 95 - HB3 ARG 90 far 0 65 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 2808 from aliabs.peaks (1.95, 1.95, 29.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 90 + HB3 ARG 90 OK 100 100 - 100 HB2 GLU 30 + HB2 GLU 30 OK 63 63 - 100 Peak 2809 from aliabs.peaks (2.02, 1.95, 29.98 ppm; 4.74 A): 4 out of 14 assignments used, quality = 1.00: * HG2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLU 91 + HB3 ARG 90 OK 71 97 80 91 4.7-6.8 4.0/7233=67, ~2886=11...(17) HB3 GLU 30 + HB2 GLU 30 OK 63 63 100 100 1.8-1.8 1.8=100 HB2 GLU 91 + HB3 ARG 90 OK 56 63 95 94 4.2-6.3 4.0/7233=67, 7219/3.8=24...(20) HG2 PRO 58 - HB2 GLU 30 far 3 70 5 - 6.1-29.0 HB VAL 20 - HB2 GLU 30 far 2 48 5 - 4.1-21.5 HB3 GLU 30 - HB3 ARG 90 far 0 96 0 - 6.8-29.9 HB3 MET 11 - HB2 GLU 30 far 0 65 0 - 7.1-33.4 QE MET 11 - HB2 GLU 30 far 0 69 0 - 7.1-28.1 HB VAL 63 - HB2 GLU 30 far 0 70 0 - 7.9-20.8 HB2 GLU 44 - HB2 GLU 30 far 0 70 0 - 8.9-22.8 HB ILE 129 - HB3 ARG 90 far 0 83 0 - 9.4-10.8 HG2 ARG 90 - HB2 GLU 30 far 0 70 0 - 9.9-31.6 HG2 PRO 81 - HB3 ARG 90 far 0 90 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 2810 from aliabs.peaks (1.74, 1.95, 29.98 ppm; 4.36 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LYS 31 + HB2 GLU 30 OK 32 69 55 85 3.5-7.1 6331/4.6=54...(18) HB2 LYS 24 - HB2 GLU 30 far 10 68 15 - 5.4-16.1 HB2 LYS 26 - HB2 GLU 30 far 10 67 15 - 5.5-11.7 HB2 LYS 19 - HB2 GLU 30 far 7 69 10 - 3.6-24.1 HB2 ARG 23 - HB2 GLU 30 far 6 59 10 - 3.7-16.7 HG LEU 48 - HB2 GLU 30 far 2 44 5 - 5.6-22.6 HB ILE 80 - HB3 ARG 90 far 0 100 0 - 6.4-9.7 HG13 ILE 129 - HB3 ARG 90 far 0 99 0 - 6.7-8.7 HB3 LEU 70 - HB2 GLU 30 far 0 46 0 - 9.8-18.1 HG LEU 98 - HB3 ARG 90 far 0 63 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 2811 from aliabs.peaks (3.17, 1.95, 29.98 ppm; 6.00 A): 2 out of 11 assignments used, quality = 1.00: * HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-4.0 3.8=100 HD3 ARG 23 - HB2 GLU 30 far 7 68 10 - 3.4-18.8 HD2 ARG 23 - HB2 GLU 30 far 3 70 5 - 3.9-18.6 HB2 HIS 6 - HB2 GLU 30 far 0 66 0 - 8.6-49.1 HD2 ARG 84 - HB3 ARG 90 far 0 76 0 - 9.1-14.2 HB3 HIS 3 - HB2 GLU 30 far 0 69 0 - 9.2-56.6 HB3 HIS 7 - HB2 GLU 30 far 0 41 0 - 9.5-43.3 HD2 ARG 90 - HB2 GLU 30 far 0 70 0 - 9.6-32.9 HB2 HIS 8 - HB2 GLU 30 far 0 59 0 - 9.7-41.3 HD3 ARG 84 - HB3 ARG 90 far 0 76 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 2812 from aliabs.peaks (3.16, 1.95, 29.98 ppm; 6.00 A): 2 out of 12 assignments used, quality = 1.00: * HD3 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.1-4.0 3.8=100 HD2 ARG 90 + HB3 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=100 HD3 ARG 23 - HB2 GLU 30 far 7 70 10 - 3.4-18.8 HD2 ARG 23 - HB2 GLU 30 far 4 70 5 - 3.9-18.6 HB3 TYR 76 - HB3 ARG 90 far 0 57 0 - 8.4-12.9 HB2 HIS 6 - HB2 GLU 30 far 0 69 0 - 8.6-49.1 HD2 ARG 84 - HB3 ARG 90 far 0 68 0 - 9.1-14.2 HB3 HIS 3 - HB2 GLU 30 far 0 70 0 - 9.2-56.6 HB3 HIS 7 - HB2 GLU 30 far 0 46 0 - 9.5-43.3 HD2 ARG 90 - HB2 GLU 30 far 0 70 0 - 9.6-32.9 HB2 HIS 8 - HB2 GLU 30 far 0 63 0 - 9.7-41.3 HD3 ARG 84 - HB3 ARG 90 far 0 68 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 2814 from aliabs.peaks (8.57, 2.02, 27.95 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.0-4.0 4.6=100 Violated in 0 structures by 0.00 A. Peak 2815 from aliabs.peaks (3.80, 2.02, 27.95 ppm; 3.92 A): 2 out of 17 assignments used, quality = 1.00: * HA ARG 90 + HG2 ARG 90 OK 100 100 100 100 3.1-4.0 3.8=100 HD3 PRO 58 + HG2 PRO 58 OK 70 70 100 100 2.3-3.0 2.3=100 HA LEU 43 - HB2 GLU 44 far 0 44 0 - 5.5-6.5 HB2 SER 9 - HB3 GLU 40 far 0 74 0 - 7.2-51.2 HA LEU 43 - HB3 GLU 40 far 0 59 0 - 7.3-8.9 HB3 SER 130 - HB2 GLU 44 far 0 36 0 - 7.5-9.4 HB3 SER 9 - HB3 GLU 40 far 0 84 0 - 7.7-51.4 HB2 SER 130 - HB2 GLU 44 far 0 46 0 - 8.0-9.1 HB3 SER 9 - HB2 GLU 44 far 0 66 0 - 8.3-46.7 HB2 SER 9 - HB2 GLU 44 far 0 56 0 - 8.4-46.5 HA SER 130 - HB2 GLU 44 far 0 38 0 - 8.5-9.6 HB3 SER 9 - HG2 PRO 58 far 0 93 0 - 8.8-50.3 HA SER 130 - HB3 GLU 40 far 0 51 0 - 9.2-12.0 HB3 SER 130 - HB3 GLU 40 far 0 49 0 - 9.2-13.0 HB2 SER 9 - HG2 PRO 58 far 0 83 0 - 9.6-51.8 HB2 SER 130 - HB3 GLU 40 far 0 61 0 - 10.0-12.9 HB2 SER 50 - HB2 GLU 44 far 0 38 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 2816 from aliabs.peaks (1.91, 2.02, 27.95 ppm; 3.61 A): 2 out of 15 assignments used, quality = 1.00: * HB2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 40 + HB3 GLU 40 OK 74 74 100 100 1.8-1.8 1.8=100 HB2 GLU 40 - HB2 GLU 44 poor 8 56 40 37 4.2-8.1 6470/6471=16...(4) HB3 LYS 36 - HB2 GLU 44 far 3 32 10 - 4.9-12.9 HB3 LYS 36 - HB3 GLU 40 far 2 44 5 - 4.5-14.7 HB2 GLU 30 - HG2 PRO 58 far 0 58 0 - 6.1-29.0 HB3 LEU 48 - HB2 GLU 44 far 0 49 0 - 6.1-9.2 HB2 PRO 113 - HG2 PRO 58 far 0 93 0 - 6.6-14.7 HG2 PRO 113 - HG2 PRO 58 far 0 74 0 - 7.8-17.0 HB2 MET 11 - HG2 PRO 58 far 0 92 0 - 8.0-47.6 HB2 LYS 95 - HG2 ARG 90 far 0 73 0 - 8.3-12.5 HB2 GLU 30 - HB2 GLU 44 far 0 38 0 - 8.9-22.8 HB3 ARG 84 - HG2 ARG 90 far 0 98 0 - 9.7-12.3 HB2 GLU 30 - HG2 ARG 90 far 0 68 0 - 9.9-31.6 HB3 LEU 49 - HB2 GLU 44 far 0 66 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 2817 from aliabs.peaks (1.95, 2.02, 27.95 ppm; 4.74 A): 3 out of 14 assignments used, quality = 1.00: * HB3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 PRO 58 + HG2 PRO 58 OK 93 93 100 100 2.3-2.7 2.3=100 HB3 LYS 86 + HG2 ARG 90 OK 63 99 65 98 3.5-8.2 9823/9662=44...(22) HB ILE 37 - HB2 GLU 44 far 8 51 15 - 6.2-10.9 HB2 GLN 27 - HB2 GLU 44 far 6 56 10 - 2.5-24.3 HB2 GLU 30 - HG2 PRO 58 far 4 86 5 - 6.1-29.0 HB ILE 37 - HB3 GLU 40 far 0 67 0 - 7.6-10.7 HB2 GLN 27 - HB3 GLU 40 far 0 74 0 - 7.7-27.6 HG2 PRO 113 - HG2 PRO 58 far 0 74 0 - 7.8-17.0 HB2 LYS 95 - HG2 ARG 90 far 0 93 0 - 8.3-12.5 HB2 GLU 30 - HB2 GLU 44 far 0 59 0 - 8.9-22.8 HB3 PRO 81 - HB3 GLU 40 far 0 84 0 - 9.2-18.1 HB2 GLU 30 - HG2 ARG 90 far 0 96 0 - 9.9-31.6 HB3 PRO 81 - HG2 ARG 90 far 0 100 0 - 10.0-15.1 Violated in 0 structures by 0.00 A. Peak 2818 from aliabs.peaks (2.02, 2.02, 27.95 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 ARG 90 + HG2 ARG 90 OK 100 100 - 100 HG2 PRO 58 + HG2 PRO 58 OK 92 92 - 100 HB3 GLU 40 + HB3 GLU 40 OK 84 84 - 100 HB2 GLU 44 + HB2 GLU 44 OK 66 66 - 100 Peak 2819 from aliabs.peaks (1.74, 2.02, 27.95 ppm; 3.26 A): 1 out of 21 assignments used, quality = 1.00: * HG3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 39 - HB3 GLU 40 poor 13 53 40 62 4.1-6.9 4.7/6460=27, 2.9/11935=9...(12) HD3 LYS 39 - HB3 GLU 40 far 8 55 15 - 2.9-7.0 HB2 LYS 19 - HG2 PRO 58 far 5 91 5 - 3.7-36.1 HB2 LYS 24 - HB3 GLU 40 far 0 82 0 - 5.6-33.1 HB2 ARG 23 - HG2 PRO 58 far 0 82 0 - 5.7-30.4 HB ILE 80 - HG2 ARG 90 far 0 100 0 - 5.8-10.8 HG LEU 48 - HB2 GLU 44 far 0 41 0 - 6.0-9.1 HB2 LYS 24 - HB2 GLU 44 far 0 63 0 - 6.7-29.0 HB2 LYS 26 - HG2 PRO 58 far 0 90 0 - 6.9-26.6 HG13 ILE 129 - HG2 ARG 90 far 0 99 0 - 6.9-9.0 HB2 LYS 31 - HB2 GLU 44 far 0 64 0 - 6.9-21.6 HB2 LYS 26 - HB2 GLU 44 far 0 63 0 - 7.1-27.2 HB2 LYS 24 - HG2 PRO 58 far 0 91 0 - 7.3-28.9 HB2 ARG 23 - HB3 GLU 40 far 0 72 0 - 7.6-35.0 HB2 LYS 31 - HB3 GLU 40 far 0 82 0 - 8.0-24.0 HB2 ARG 23 - HB2 GLU 44 far 0 55 0 - 8.2-29.9 HB2 LYS 39 - HB2 GLU 44 far 0 39 0 - 8.5-11.0 HD3 LYS 39 - HB2 GLU 44 far 0 41 0 - 8.7-13.1 HB2 LYS 19 - HB2 GLU 44 far 0 64 0 - 9.7-35.1 HG LEU 98 - HG2 ARG 90 far 0 63 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 2820 from aliabs.peaks (3.17, 2.02, 27.95 ppm; 3.86 A): 2 out of 14 assignments used, quality = 1.00: * HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 7 - HB3 GLU 40 far 3 51 5 - 4.7-56.9 HB3 HIS 7 - HB2 GLU 44 far 2 38 5 - 4.3-52.8 HB2 HIS 6 - HB3 GLU 40 far 0 80 0 - 5.8-58.6 HB2 HIS 8 - HB3 GLU 40 far 0 72 0 - 8.0-53.0 HB2 HIS 6 - HB2 GLU 44 far 0 62 0 - 8.0-54.7 HB2 HIS 8 - HB2 GLU 44 far 0 55 0 - 8.2-49.0 HD3 ARG 23 - HB2 GLU 44 far 0 63 0 - 8.3-32.2 HD2 ARG 84 - HG2 ARG 90 far 0 76 0 - 8.3-14.3 HD2 ARG 23 - HB2 GLU 44 far 0 65 0 - 8.8-32.6 HD3 ARG 84 - HG2 ARG 90 far 0 76 0 - 8.9-13.8 HD3 ARG 23 - HG2 PRO 58 far 0 91 0 - 9.0-30.3 HD2 ARG 23 - HG2 PRO 58 far 0 92 0 - 9.6-30.9 Violated in 0 structures by 0.00 A. Peak 2821 from aliabs.peaks (3.16, 2.02, 27.95 ppm; 3.86 A): 2 out of 16 assignments used, quality = 1.00: * HD3 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 90 + HG2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 7 - HB3 GLU 40 far 3 57 5 - 4.7-56.9 HB3 HIS 7 - HB2 GLU 44 far 2 43 5 - 4.3-52.8 HB2 HIS 6 - HB3 GLU 40 far 0 82 0 - 5.8-58.6 HB2 HIS 8 - HB3 GLU 40 far 0 77 0 - 8.0-53.0 HB2 HIS 6 - HB2 GLU 44 far 0 64 0 - 8.0-54.7 HB2 HIS 8 - HB2 GLU 44 far 0 59 0 - 8.2-49.0 HD3 ARG 23 - HB2 GLU 44 far 0 65 0 - 8.3-32.2 HD2 ARG 84 - HG2 ARG 90 far 0 68 0 - 8.3-14.3 HD2 ARG 23 - HB2 GLU 44 far 0 66 0 - 8.8-32.6 HD3 ARG 84 - HG2 ARG 90 far 0 68 0 - 8.9-13.8 HD3 ARG 23 - HG2 PRO 58 far 0 92 0 - 9.0-30.3 HD2 ARG 23 - HG2 PRO 58 far 0 93 0 - 9.6-30.9 HB3 TYR 76 - HG2 ARG 90 far 0 57 0 - 9.7-12.8 HB3 TYR 76 - HB3 GLU 40 far 0 42 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 2823 from aliabs.peaks (8.57, 1.74, 27.95 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + HG3 ARG 90 OK 100 100 100 100 1.9-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 2824 from aliabs.peaks (3.80, 1.74, 27.95 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.6-3.7 3.8=99, 2787/1.8=75...(26) HB3 SER 9 - HG3 ARG 90 far 0 100 0 - 9.3-51.9 Violated in 0 structures by 0.00 A. Peak 2825 from aliabs.peaks (1.91, 1.74, 27.95 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 95 - HG3 ARG 90 far 0 73 0 - 7.8-12.2 HB3 LYS 95 - HG3 ARG 90 far 0 65 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 2826 from aliabs.peaks (1.95, 1.74, 27.95 ppm; 3.95 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 LYS 86 + HG3 ARG 90 OK 67 99 75 90 4.0-9.1 9823/11303=29...(23) HB2 LYS 95 - HG3 ARG 90 far 0 93 0 - 7.8-12.2 HB3 LYS 95 - HG3 ARG 90 far 0 97 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 2827 from aliabs.peaks (2.02, 1.74, 27.95 ppm; 3.22 A): 1 out of 7 assignments used, quality = 1.00: * HG2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 91 - HG3 ARG 90 poor 20 63 50 62 3.2-7.0 4.0/7235=12...(17) HB3 GLU 91 - HG3 ARG 90 poor 19 97 20 - 4.2-8.0 HG2 PRO 81 - HG3 ARG 90 far 0 90 0 - 8.1-15.0 HB ILE 129 - HG3 ARG 90 far 0 83 0 - 8.7-10.4 HG3 PRO 81 - HG3 ARG 90 far 0 65 0 - 9.2-14.2 HB3 GLU 30 - HG3 ARG 90 far 0 96 0 - 9.5-30.8 Violated in 0 structures by 0.00 A. Peak 2828 from aliabs.peaks (1.74, 1.74, 27.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 90 + HG3 ARG 90 OK 100 100 - 100 Peak 2829 from aliabs.peaks (3.17, 1.74, 27.95 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 - HG3 ARG 90 far 0 76 0 - 7.9-15.8 HD3 ARG 84 - HG3 ARG 90 far 0 76 0 - 8.3-14.5 Violated in 0 structures by 0.00 A. Peak 2830 from aliabs.peaks (3.16, 1.74, 27.95 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 84 - HG3 ARG 90 far 0 68 0 - 7.9-15.8 HB3 TYR 76 - HG3 ARG 90 far 0 57 0 - 8.1-12.0 HD3 ARG 84 - HG3 ARG 90 far 0 68 0 - 8.3-14.5 Violated in 0 structures by 0.00 A. Peak 2832 from aliabs.peaks (8.57, 3.17, 43.17 ppm; 5.27 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.0-4.8 2823/3.0=87, 5.9=72...(27) H ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.7-5.7 2823/3.0=87, 5.9=72...(27) Violated in 0 structures by 0.00 A. Peak 2833 from aliabs.peaks (3.80, 3.17, 43.17 ppm; 4.06 A): 2 out of 9 assignments used, quality = 1.00: * HA ARG 90 + HD2 ARG 90 OK 100 100 100 100 4.0-5.4 2787/3.0=65, 2824/3.0=65...(30) HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.8-5.5 2787/3.0=65, 2824/3.0=65...(30) HB3 SER 9 - HD2 ARG 90 far 0 100 0 - 8.3-53.7 HB3 SER 9 - HD3 ARG 90 far 0 100 0 - 8.9-52.2 HB2 SER 9 - HD3 ARG 23 far 0 78 0 - 9.2-26.0 HB3 SER 9 - HD3 ARG 23 far 0 89 0 - 9.5-24.7 HB3 SER 9 - HD2 ARG 23 far 0 92 0 - 9.5-24.0 HB2 SER 9 - HD2 ARG 90 far 0 93 0 - 9.6-52.9 HB2 SER 9 - HD2 ARG 23 far 0 82 0 - 9.8-25.1 Violated in 13 structures by 0.13 A. Peak 2834 from aliabs.peaks (1.91, 3.17, 43.17 ppm; 3.82 A): 2 out of 15 assignments used, quality = 1.00: * HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-4.0 3.8=100 HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.0-3.9 3.8=100 HB2 GLU 30 - HD2 ARG 23 far 3 58 5 - 3.9-18.6 HB2 GLU 30 - HD3 ARG 23 far 3 54 5 - 3.4-18.8 HB3 LYS 36 - HD2 ARG 23 far 3 50 5 - 4.9-26.7 HB3 LYS 36 - HD3 ARG 23 far 2 47 5 - 4.8-26.7 HB2 MET 11 - HD2 ARG 23 far 0 91 0 - 7.9-22.1 HB3 LEU 48 - HD2 ARG 23 far 0 74 0 - 8.0-31.8 HB3 LEU 48 - HD3 ARG 23 far 0 70 0 - 9.1-31.0 HB2 MET 11 - HD3 ARG 23 far 0 88 0 - 9.1-23.0 HB2 LYS 95 - HD3 ARG 90 far 0 72 0 - 9.3-13.1 HB2 GLU 30 - HD2 ARG 90 far 0 68 0 - 9.6-32.9 HB3 ARG 84 - HD3 ARG 90 far 0 97 0 - 9.7-13.5 HB2 LYS 95 - HD2 ARG 90 far 0 73 0 - 9.8-14.0 HB2 GLU 40 - HD3 ARG 23 far 0 78 0 - 10.0-36.3 Violated in 0 structures by 0.00 A. Peak 2835 from aliabs.peaks (1.95, 3.17, 43.17 ppm; 3.75 A): 4 out of 15 assignments used, quality = 1.00: * HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=96, 11838/2.9=35...(27) HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-4.0 3.8=96, 11838/2.9=35...(26) HB3 LYS 86 + HD3 ARG 90 OK 44 99 60 73 3.6-8.8 2826/3.0=22...(12) HB3 LYS 86 + HD2 ARG 90 OK 39 99 50 79 3.2-7.4 2826/3.0=22...(14) HB2 GLU 30 - HD2 ARG 23 far 4 85 5 - 3.9-18.6 HB2 GLN 27 - HD2 ARG 23 far 4 82 5 - 3.3-16.9 HB2 GLU 30 - HD3 ARG 23 far 4 81 5 - 3.4-18.8 HB2 GLN 27 - HD3 ARG 23 far 4 78 5 - 5.0-16.3 HB2 PRO 58 - HD3 ARG 23 far 0 89 0 - 8.2-31.0 HB ILE 37 - HD3 ARG 23 far 0 72 0 - 8.7-29.5 HB ILE 37 - HD2 ARG 23 far 0 76 0 - 8.8-29.9 HB2 PRO 58 - HD2 ARG 23 far 0 92 0 - 9.3-29.8 HB2 LYS 95 - HD3 ARG 90 far 0 92 0 - 9.3-13.1 HB2 GLU 30 - HD2 ARG 90 far 0 96 0 - 9.6-32.9 HB2 LYS 95 - HD2 ARG 90 far 0 93 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 2836 from aliabs.peaks (2.02, 3.17, 43.17 ppm; 3.30 A): 2 out of 27 assignments used, quality = 1.00: * HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 91 - HD2 ARG 90 far 9 63 15 - 4.4-8.6 HB VAL 20 - HD2 ARG 23 far 7 67 10 - 3.2-10.4 HB VAL 20 - HD3 ARG 23 far 6 63 10 - 4.3-10.0 HB3 GLU 30 - HD2 ARG 23 far 4 85 5 - 4.2-20.3 HB3 GLU 30 - HD3 ARG 23 far 4 81 5 - 4.2-20.5 HB2 GLU 91 - HD3 ARG 90 far 3 62 5 - 4.8-8.4 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 5.0-9.5 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 5.1-9.3 HB3 GLU 55 - HD2 ARG 23 far 0 74 0 - 5.9-36.7 HB3 MET 11 - HD2 ARG 23 far 0 87 0 - 6.3-21.8 HB3 MET 11 - HD3 ARG 23 far 0 84 0 - 7.5-22.3 HB3 GLU 55 - HD3 ARG 23 far 0 70 0 - 7.6-35.8 QE MET 11 - HD2 ARG 23 far 0 91 0 - 8.2-20.8 HB2 GLU 44 - HD3 ARG 23 far 0 89 0 - 8.3-32.2 HB3 GLU 30 - HD2 ARG 90 far 0 96 0 - 8.5-32.7 HG2 PRO 56 - HD2 ARG 23 far 0 81 0 - 8.7-37.8 HB2 GLU 44 - HD2 ARG 23 far 0 92 0 - 8.8-32.6 HG2 PRO 58 - HD3 ARG 23 far 0 88 0 - 9.0-30.3 HG3 PRO 56 - HD2 ARG 23 far 0 85 0 - 9.0-38.9 HG2 PRO 81 - HD2 ARG 90 far 0 90 0 - 9.3-14.0 QE MET 11 - HD3 ARG 23 far 0 88 0 - 9.4-20.6 HB3 LEU 53 - HD2 ARG 23 far 0 50 0 - 9.6-33.5 HG2 PRO 58 - HD2 ARG 23 far 0 92 0 - 9.6-30.9 HB3 GLU 30 - HD3 ARG 90 far 0 95 0 - 9.8-31.6 HG2 PRO 81 - HD3 ARG 90 far 0 89 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 2837 from aliabs.peaks (1.74, 3.17, 43.17 ppm; 3.63 A): 4 out of 20 assignments used, quality = 1.00: * HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 23 + HD2 ARG 23 OK 81 81 100 100 2.0-4.1 3.7=98, 430/3.0=61...(16) HB2 ARG 23 + HD3 ARG 23 OK 77 77 100 100 2.0-4.1 3.7=98, 430/3.0=61...(16) HB2 LYS 26 - HD2 ARG 23 poor 18 89 20 - 3.8-13.2 HB2 LYS 31 - HD2 ARG 23 far 5 91 5 - 3.8-23.2 HB2 LYS 31 - HD3 ARG 23 far 4 87 5 - 4.4-22.9 HB2 LYS 26 - HD3 ARG 23 far 4 85 5 - 3.2-13.6 HB2 LYS 19 - HD3 ARG 23 far 0 87 0 - 5.2-15.1 HB2 LYS 24 - HD2 ARG 23 far 0 90 0 - 5.8-10.0 HB ILE 80 - HD2 ARG 90 far 0 100 0 - 5.9-10.0 HB2 LYS 19 - HD2 ARG 23 far 0 91 0 - 6.2-14.8 HB ILE 80 - HD3 ARG 90 far 0 100 0 - 6.4-11.6 HB2 LYS 24 - HD3 ARG 23 far 0 86 0 - 6.7-10.2 HG LEU 48 - HD2 ARG 23 far 0 63 0 - 7.7-29.6 HG13 ILE 129 - HD2 ARG 90 far 0 99 0 - 8.1-10.9 HG LEU 48 - HD3 ARG 23 far 0 59 0 - 8.3-28.9 HG13 ILE 129 - HD3 ARG 90 far 0 98 0 - 8.6-10.9 HG LEU 98 - HD2 ARG 23 far 0 53 0 - 9.1-36.3 HG LEU 98 - HD3 ARG 23 far 0 50 0 - 9.3-37.9 Violated in 0 structures by 0.00 A. Peak 2838 from aliabs.peaks (3.17, 3.17, 43.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 92 92 - 100 HD3 ARG 23 + HD3 ARG 23 OK 86 86 - 100 Peak 2839 from aliabs.peaks (3.16, 3.17, 43.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 92 92 - 100 HD3 ARG 23 + HD3 ARG 23 OK 88 88 - 100 Reference assignment not found: HD3 ARG 90 - HD2 ARG 90 Peak 2841 from aliabs.peaks (8.57, 3.16, 43.17 ppm; 5.27 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.7-5.7 2823/3.0=87, 5.9=72...(27) H ARG 90 + HD2 ARG 90 OK 100 100 100 100 3.0-4.8 2823/3.0=87, 5.9=72...(27) Violated in 0 structures by 0.00 A. Peak 2842 from aliabs.peaks (3.80, 3.16, 43.17 ppm; 4.06 A): 2 out of 9 assignments used, quality = 1.00: * HA ARG 90 + HD3 ARG 90 OK 100 100 100 100 3.8-5.5 2787/3.0=65, 2824/3.0=65...(30) HA ARG 90 + HD2 ARG 90 OK 100 100 100 100 4.0-5.4 2787/3.0=65, 2824/3.0=65...(30) HB3 SER 9 - HD2 ARG 90 far 0 100 0 - 8.3-53.7 HB3 SER 9 - HD3 ARG 90 far 0 100 0 - 8.9-52.2 HB2 SER 9 - HD3 ARG 23 far 0 82 0 - 9.2-26.0 HB3 SER 9 - HD3 ARG 23 far 0 92 0 - 9.5-24.7 HB3 SER 9 - HD2 ARG 23 far 0 94 0 - 9.5-24.0 HB2 SER 9 - HD2 ARG 90 far 0 92 0 - 9.6-52.9 HB2 SER 9 - HD2 ARG 23 far 0 84 0 - 9.8-25.1 Violated in 13 structures by 0.13 A. Peak 2843 from aliabs.peaks (1.91, 3.16, 43.17 ppm; 3.80 A): 2 out of 15 assignments used, quality = 1.00: * HB2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.0-3.9 3.8=100 HB2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-4.0 3.8=100 HB2 GLU 30 - HD2 ARG 23 far 3 59 5 - 3.9-18.6 HB2 GLU 30 - HD3 ARG 23 far 3 58 5 - 3.4-18.8 HB3 LYS 36 - HD2 ARG 23 far 3 52 5 - 4.9-26.7 HB3 LYS 36 - HD3 ARG 23 far 3 50 5 - 4.8-26.7 HB2 MET 11 - HD2 ARG 23 far 0 93 0 - 7.9-22.1 HB3 LEU 48 - HD2 ARG 23 far 0 75 0 - 8.0-31.8 HB3 LEU 48 - HD3 ARG 23 far 0 74 0 - 9.1-31.0 HB2 MET 11 - HD3 ARG 23 far 0 91 0 - 9.1-23.0 HB2 LYS 95 - HD3 ARG 90 far 0 73 0 - 9.3-13.1 HB2 GLU 30 - HD2 ARG 90 far 0 67 0 - 9.6-32.9 HB3 ARG 84 - HD3 ARG 90 far 0 98 0 - 9.7-13.5 HB2 LYS 95 - HD2 ARG 90 far 0 72 0 - 9.8-14.0 HB2 GLU 40 - HD3 ARG 23 far 0 82 0 - 10.0-36.3 Violated in 0 structures by 0.00 A. Peak 2844 from aliabs.peaks (1.95, 3.16, 43.17 ppm; 3.74 A): 4 out of 15 assignments used, quality = 1.00: * HB3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.1-4.0 3.8=96, 11838/2.9=35...(26) HB3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.0-3.8 3.8=96, 11838/2.9=35...(27) HB3 LYS 86 + HD3 ARG 90 OK 44 99 60 73 3.6-8.8 2826/3.0=21...(12) HB3 LYS 86 + HD2 ARG 90 OK 39 99 50 78 3.2-7.4 2826/3.0=21...(14) HB2 GLU 30 - HD2 ARG 23 far 4 87 5 - 3.9-18.6 HB2 GLU 30 - HD3 ARG 23 far 4 85 5 - 3.4-18.8 HB2 GLN 27 - HD2 ARG 23 far 4 84 5 - 3.3-16.9 HB2 GLN 27 - HD3 ARG 23 far 4 82 5 - 5.0-16.3 HB2 PRO 58 - HD3 ARG 23 far 0 92 0 - 8.2-31.0 HB ILE 37 - HD3 ARG 23 far 0 76 0 - 8.7-29.5 HB ILE 37 - HD2 ARG 23 far 0 77 0 - 8.8-29.9 HB2 PRO 58 - HD2 ARG 23 far 0 94 0 - 9.3-29.8 HB2 LYS 95 - HD3 ARG 90 far 0 93 0 - 9.3-13.1 HB2 GLU 30 - HD2 ARG 90 far 0 95 0 - 9.6-32.9 HB2 LYS 95 - HD2 ARG 90 far 0 92 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 2845 from aliabs.peaks (2.02, 3.16, 43.17 ppm; 3.30 A): 2 out of 27 assignments used, quality = 1.00: * HG2 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 91 - HD2 ARG 90 far 9 62 15 - 4.4-8.6 HB VAL 20 - HD2 ARG 23 far 7 69 10 - 3.2-10.4 HB VAL 20 - HD3 ARG 23 far 7 67 10 - 4.3-10.0 HB3 GLU 30 - HD2 ARG 23 far 4 87 5 - 4.2-20.3 HB3 GLU 30 - HD3 ARG 23 far 4 85 5 - 4.2-20.5 HB2 GLU 91 - HD3 ARG 90 far 3 63 5 - 4.8-8.4 HB3 GLU 91 - HD2 ARG 90 far 0 97 0 - 5.0-9.5 HB3 GLU 91 - HD3 ARG 90 far 0 97 0 - 5.1-9.3 HB3 GLU 55 - HD2 ARG 23 far 0 75 0 - 5.9-36.7 HB3 MET 11 - HD2 ARG 23 far 0 89 0 - 6.3-21.8 HB3 MET 11 - HD3 ARG 23 far 0 87 0 - 7.5-22.3 HB3 GLU 55 - HD3 ARG 23 far 0 74 0 - 7.6-35.8 QE MET 11 - HD2 ARG 23 far 0 93 0 - 8.2-20.8 HB2 GLU 44 - HD3 ARG 23 far 0 92 0 - 8.3-32.2 HB3 GLU 30 - HD2 ARG 90 far 0 95 0 - 8.5-32.7 HG2 PRO 56 - HD2 ARG 23 far 0 83 0 - 8.7-37.8 HB2 GLU 44 - HD2 ARG 23 far 0 94 0 - 8.8-32.6 HG2 PRO 58 - HD3 ARG 23 far 0 92 0 - 9.0-30.3 HG3 PRO 56 - HD2 ARG 23 far 0 87 0 - 9.0-38.9 HG2 PRO 81 - HD2 ARG 90 far 0 89 0 - 9.3-14.0 QE MET 11 - HD3 ARG 23 far 0 91 0 - 9.4-20.6 HB3 LEU 53 - HD2 ARG 23 far 0 52 0 - 9.6-33.5 HG2 PRO 58 - HD2 ARG 23 far 0 93 0 - 9.6-30.9 HB3 GLU 30 - HD3 ARG 90 far 0 96 0 - 9.8-31.6 HG2 PRO 81 - HD3 ARG 90 far 0 90 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 2846 from aliabs.peaks (1.74, 3.16, 43.17 ppm; 3.64 A): 4 out of 20 assignments used, quality = 1.00: * HG3 ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 23 + HD2 ARG 23 OK 83 83 100 100 2.0-4.1 3.7=98, 430/3.0=61...(16) HB2 ARG 23 + HD3 ARG 23 OK 81 81 100 100 2.0-4.1 3.7=98, 430/3.0=61...(16) HB2 LYS 26 - HD2 ARG 23 poor 18 91 20 - 3.8-13.2 HB2 LYS 31 - HD2 ARG 23 far 5 92 5 - 3.8-23.2 HB2 LYS 31 - HD3 ARG 23 far 5 91 5 - 4.4-22.9 HB2 LYS 26 - HD3 ARG 23 far 4 89 5 - 3.2-13.6 HB2 LYS 19 - HD3 ARG 23 far 0 91 0 - 5.2-15.1 HB2 LYS 24 - HD2 ARG 23 far 0 92 0 - 5.8-10.0 HB ILE 80 - HD2 ARG 90 far 0 100 0 - 5.9-10.0 HB2 LYS 19 - HD2 ARG 23 far 0 92 0 - 6.2-14.8 HB ILE 80 - HD3 ARG 90 far 0 100 0 - 6.4-11.6 HB2 LYS 24 - HD3 ARG 23 far 0 90 0 - 6.7-10.2 HG LEU 48 - HD2 ARG 23 far 0 64 0 - 7.7-29.6 HG13 ILE 129 - HD2 ARG 90 far 0 98 0 - 8.1-10.9 HG LEU 48 - HD3 ARG 23 far 0 63 0 - 8.3-28.9 HG13 ILE 129 - HD3 ARG 90 far 0 99 0 - 8.6-10.9 HG LEU 98 - HD2 ARG 23 far 0 54 0 - 9.1-36.3 HG LEU 98 - HD3 ARG 23 far 0 53 0 - 9.3-37.9 Violated in 0 structures by 0.00 A. Peak 2847 from aliabs.peaks (3.17, 3.16, 43.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 93 93 - 100 HD3 ARG 23 + HD3 ARG 23 OK 90 90 - 100 Reference assignment not found: HD2 ARG 90 - HD3 ARG 90 Peak 2848 from aliabs.peaks (3.16, 3.16, 43.17 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 94 94 - 100 HD3 ARG 23 + HD3 ARG 23 OK 92 92 - 100 Peak 2850 from aliabs.peaks (8.12, 3.97, 58.93 ppm; 5.71 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 91 + HA GLU 91 OK 100 100 100 100 2.7-2.8 2.9=100 H VAL 133 - HA GLN 127 far 0 68 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 2851 from aliabs.peaks (3.97, 3.97, 58.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HA GLU 91 OK 100 100 - 100 HA GLN 127 + HA GLN 127 OK 86 86 - 100 Peak 2852 from aliabs.peaks (1.99, 3.97, 58.93 ppm; 3.81 A): 3 out of 7 assignments used, quality = 1.00: * HB2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.7-3.0 3.0=100 HB ILE 129 + HA GLN 127 OK 71 84 100 84 4.7-5.1 11618/10394=41...(9) HG2 ARG 90 + HA GLU 91 OK 28 63 55 81 3.2-6.4 ~7233=25, 7239/2.9=22...(18) HB3 LEU 53 - HA GLN 127 far 0 87 0 - 6.6-10.7 HB ILE 129 - HA GLU 91 far 0 99 0 - 9.6-10.4 HB2 GLU 44 - HA GLN 127 far 0 46 0 - 9.9-11.9 HB2 GLN 134 - HA GLN 127 far 0 53 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 2853 from aliabs.peaks (2.03, 3.97, 58.93 ppm; 4.07 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLU 91 + HA GLU 91 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLN 127 + HA GLN 127 OK 74 74 100 100 2.4-3.0 3.0=100 HG2 ARG 90 + HA GLU 91 OK 59 97 65 93 3.2-6.4 2787/4.8=38, 2822/2.9=36...(18) HB2 GLU 44 - HA GLN 127 far 0 83 0 - 9.9-11.9 HB2 GLN 134 - HA GLN 127 far 0 80 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 2854 from aliabs.peaks (2.21, 3.97, 58.93 ppm; 4.67 A): 3 out of 7 assignments used, quality = 1.00: * HG2 GLU 91 + HA GLU 91 OK 100 100 100 100 2.0-3.4 3.9=100 HB3 GLN 127 + HA GLN 127 OK 80 80 100 100 2.3-3.0 3.0=100 HB3 GLU 128 + HA GLN 127 OK 56 64 90 97 5.5-6.5 7814/2.9=30, 7852/3.6=30...(22) HB3 GLU 128 - HA GLU 91 far 0 81 0 - 8.0-12.2 HG2 GLN 68 - HA GLN 127 far 0 86 0 - 9.3-14.9 HB VAL 133 - HA GLN 127 far 0 64 0 - 9.3-10.4 HB3 GLU 97 - HA GLU 91 far 0 98 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 2855 from aliabs.peaks (2.09, 3.97, 58.93 ppm; 4.16 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 91 + HA GLU 91 OK 100 100 100 100 3.2-4.0 3.9=100 HB VAL 126 + HA GLN 127 OK 72 72 100 99 4.1-5.6 2.1/10394=81...(17) HB2 GLU 128 - HA GLN 127 far 8 81 10 - 5.5-6.5 HG3 GLN 134 - HA GLN 127 far 0 75 0 - 7.4-9.4 HB2 GLU 128 - HA GLU 91 far 0 97 0 - 8.2-11.2 HB3 GLU 44 - HA GLN 127 far 0 68 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 2856 from aliabs.peaks (7.82, 3.97, 58.93 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 92 + HA GLU 91 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 92 - HA GLN 127 far 0 88 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 2857 from aliabs.peaks (7.99, 3.97, 58.93 ppm; 5.42 A): 2 out of 4 assignments used, quality = 1.00: * H SER 94 + HA GLU 91 OK 100 100 100 100 3.4-3.8 7259/3.6=80, 7275/4.8=62...(11) H ILE 129 + HA GLN 127 OK 82 82 100 100 4.0-4.4 7855/3.6=84, 7820/2.9=81...(17) H SER 51 - HA GLN 127 far 8 85 10 - 6.6-9.5 H ILE 129 - HA GLU 91 far 0 97 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 2858 from aliabs.peaks (3.90, 3.97, 58.93 ppm; 4.74 A): 3 out of 7 assignments used, quality = 0.96: * HB2 SER 94 + HA GLU 91 OK 87 100 100 87 3.1-4.5 2938=47, 3.6/2857=38...(8) HB3 SER 50 + HA GLN 127 OK 48 66 90 81 4.0-6.7 1.8/4175=24, ~10503=17...(13) HA ALA 46 + HA GLN 127 OK 45 85 100 53 3.1-5.4 9173/10394=32...(5) HA2 GLY 2 - HA GLN 127 far 0 87 0 - 7.7-72.3 HA LEU 70 - HA GLN 127 far 0 70 0 - 7.8-11.3 HA LYS 86 - HA GLU 91 far 0 96 0 - 8.5-9.3 HA3 GLY 2 - HA GLN 127 far 0 87 0 - 9.2-72.7 Violated in 0 structures by 0.00 A. Peak 2859 from aliabs.peaks (3.97, 3.97, 58.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA GLU 91 + HA GLU 91 OK 100 100 - 100 HA GLN 127 + HA GLN 127 OK 87 87 - 100 Reference assignment not found: HB3 SER 94 - HA GLU 91 Peak 2860 from aliabs.peaks (4.20, 1.99, 28.84 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 88 + HB2 GLU 91 OK 100 100 100 100 2.4-2.8 2748=85, 2868/1.8=82...(20) HB THR 18 - HB3 PRO 56 far 0 45 0 - 7.8-44.1 HA LEU 53 - HB3 PRO 56 far 0 41 0 - 8.3-10.1 HA GLU 128 - HB2 GLU 91 far 0 95 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 2861 from aliabs.peaks (8.12, 1.99, 28.84 ppm; 5.50 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.1-2.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2862 from aliabs.peaks (3.97, 1.99, 28.84 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.7-3.0 3.0=100 HA3 GLY 17 - HB3 PRO 56 far 3 58 5 - 4.8-42.9 HB3 SER 94 - HB2 GLU 91 far 0 100 0 - 5.4-6.9 HA2 GLY 17 - HB3 PRO 56 far 0 48 0 - 6.6-44.3 HA3 GLY 111 - HB3 PRO 56 far 0 37 0 - 7.7-19.6 Violated in 0 structures by 0.00 A. Peak 2863 from aliabs.peaks (1.99, 1.99, 28.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 91 + HB2 GLU 91 OK 100 100 - 100 HB3 PRO 56 + HB3 PRO 56 OK 69 69 - 100 Peak 2864 from aliabs.peaks (2.03, 1.99, 28.84 ppm; 2.77 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 56 + HB3 PRO 56 OK 48 48 100 100 2.7-2.7 2.3=100 HG2 PRO 56 + HB3 PRO 56 OK 43 43 100 100 2.3-2.3 2.3=100 HG2 ARG 90 - HB2 GLU 91 poor 15 97 35 43 3.5-6.3 2822/2861=12, 2853/3.0=7...(11) HG3 PRO 113 - HB3 PRO 56 far 2 43 5 - 3.7-15.7 HB3 GLU 55 - HB3 PRO 56 far 0 67 0 - 5.1-7.3 HG2 PRO 58 - HB3 PRO 56 far 0 69 0 - 7.2-8.8 HB2 LEU 62 - HB3 PRO 56 far 0 43 0 - 8.2-11.0 QE MET 11 - HB3 PRO 56 far 0 70 0 - 9.3-40.8 Violated in 0 structures by 0.00 A. Peak 2865 from aliabs.peaks (2.21, 1.99, 28.84 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 GLU 128 - HB2 GLU 91 far 0 81 0 - 6.0-11.3 Violated in 0 structures by 0.00 A. Peak 2866 from aliabs.peaks (2.09, 1.99, 28.84 ppm; 4.74 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 91 + HB2 GLU 91 OK 100 100 100 100 2.2-2.3 3.0=100 HB2 GLU 128 - HB2 GLU 91 far 5 97 5 - 6.2-10.0 HB VAL 112 - HB3 PRO 56 far 0 45 0 - 6.3-16.3 HB VAL 57 - HB3 PRO 56 far 0 71 0 - 6.5-6.6 HG3 PRO 58 - HB3 PRO 56 far 0 37 0 - 7.9-8.9 HB3 GLN 61 - HB3 PRO 56 far 0 67 0 - 8.8-11.6 HB2 GLN 61 - HB3 PRO 56 far 0 69 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 2867 from aliabs.peaks (7.82, 1.99, 28.84 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HB2 GLU 91 OK 100 100 100 100 2.3-3.4 7252=100, 2875/1.8=78...(26) Violated in 0 structures by 0.00 A. Peak 2868 from aliabs.peaks (4.20, 2.03, 28.84 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 88 + HB3 GLU 91 OK 100 100 100 100 3.4-4.4 2860/1.8=68...(16) HA GLU 128 - HB3 GLU 91 far 0 95 0 - 9.3-14.0 Violated in 18 structures by 0.26 A. Peak 2869 from aliabs.peaks (8.12, 2.03, 28.84 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HB3 GLU 91 OK 100 100 100 100 3.0-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2870 from aliabs.peaks (3.97, 2.03, 28.84 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 SER 94 + HB3 GLU 91 OK 31 100 50 63 4.6-6.1 ~2858=14, 2877/3.0=13...(11) Violated in 0 structures by 0.00 A. Peak 2871 from aliabs.peaks (1.99, 2.03, 28.84 ppm; 2.75 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HB3 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 90 - HB3 GLU 91 far 9 63 15 - 3.7-7.3 HB ILE 129 - HB3 GLU 91 far 0 99 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 2872 from aliabs.peaks (2.03, 2.03, 28.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 91 + HB3 GLU 91 OK 100 100 - 100 Peak 2873 from aliabs.peaks (2.21, 2.03, 28.84 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.5-2.9 3.0=100 HB3 GLU 128 - HB3 GLU 91 far 0 81 0 - 6.8-12.5 Violated in 0 structures by 0.00 A. Peak 2874 from aliabs.peaks (2.09, 2.03, 28.84 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 91 + HB3 GLU 91 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 GLU 128 - HB3 GLU 91 far 0 97 0 - 6.4-11.3 Violated in 0 structures by 0.00 A. Peak 2875 from aliabs.peaks (7.82, 2.03, 28.84 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HB3 GLU 91 OK 100 100 100 100 2.5-4.1 7252/1.8=91, 4.6=82...(21) Violated in 0 structures by 0.00 A. Peak 2876 from aliabs.peaks (8.12, 2.21, 35.29 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.4-4.3 4.7=100 Violated in 0 structures by 0.00 A. Peak 2877 from aliabs.peaks (3.97, 2.21, 35.29 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.0-3.4 3.9=77, 2884/1.8=72...(18) HB3 SER 94 + HG2 GLU 91 OK 20 100 45 46 4.3-5.5 2870/3.0=17, 3.6/9226=16...(5) HB2 SER 124 - HG2 GLU 91 far 0 90 0 - 8.3-16.0 Violated in 0 structures by 0.00 A. Peak 2878 from aliabs.peaks (1.99, 2.21, 35.29 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 ARG 90 - HG2 GLU 91 far 6 63 10 - 2.7-8.4 HB ILE 129 - HG2 GLU 91 far 0 99 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 2879 from aliabs.peaks (2.03, 2.21, 35.29 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 2.5-2.9 3.0=100 HG2 ARG 90 - HG2 GLU 91 far 10 97 10 - 2.7-8.4 Violated in 0 structures by 0.00 A. Peak 2880 from aliabs.peaks (2.21, 2.21, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HG2 GLU 91 OK 100 100 - 100 Peak 2881 from aliabs.peaks (2.09, 2.21, 35.29 ppm; 2.59 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 91 + HG2 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 128 - HG2 GLU 91 far 0 97 0 - 6.3-11.3 HB VAL 126 - HG2 GLU 91 far 0 89 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 2882 from aliabs.peaks (7.82, 2.21, 35.29 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HG2 GLU 91 OK 100 100 100 100 2.5-4.7 7254=100, 7252/3.0=82...(24) Violated in 0 structures by 0.00 A. Peak 2883 from aliabs.peaks (8.12, 2.09, 35.29 ppm; 5.22 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.7-4.0 4.7=100 H VAL 133 - HG3 GLU 91 far 0 85 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 2884 from aliabs.peaks (3.97, 2.09, 35.29 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 91 + HG3 GLU 91 OK 100 100 100 100 3.2-4.0 3.9=79, 2877/1.8=61...(16) HB3 SER 94 - HG3 GLU 91 far 0 100 0 - 5.8-7.0 HB2 SER 124 - HG3 GLU 91 far 0 90 0 - 8.3-15.6 Violated in 19 structures by 0.28 A. Peak 2885 from aliabs.peaks (1.99, 2.09, 35.29 ppm; 4.74 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.2-2.3 3.0=100 HG2 ARG 90 + HG3 GLU 91 OK 24 63 55 70 3.9-7.9 7239/7242=26...(12) HB ILE 129 - HG3 GLU 91 far 0 99 0 - 8.0-11.8 Violated in 0 structures by 0.00 A. Peak 2886 from aliabs.peaks (2.03, 2.09, 35.29 ppm; 4.74 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 91 + HG3 GLU 91 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 ARG 90 + HG3 GLU 91 OK 43 97 55 80 3.9-7.9 2822/7242=39...(11) Violated in 0 structures by 0.00 A. Peak 2887 from aliabs.peaks (2.21, 2.09, 35.29 ppm; 2.67 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 91 + HG3 GLU 91 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 128 - HG3 GLU 91 far 0 81 0 - 6.1-11.0 Violated in 0 structures by 0.00 A. Peak 2888 from aliabs.peaks (2.09, 2.09, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 91 + HG3 GLU 91 OK 100 100 - 100 Peak 2889 from aliabs.peaks (7.82, 2.09, 35.29 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HG3 GLU 91 OK 100 100 100 100 2.0-4.9 7254/1.8=92, 7252/3.0=85...(25) Violated in 1 structures by 0.01 A. Peak 2890 from aliabs.peaks (7.82, 4.05, 54.95 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HA ALA 92 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 2891 from aliabs.peaks (4.05, 4.05, 54.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 92 + HA ALA 92 OK 100 100 - 100 Peak 2892 from aliabs.peaks (1.43, 4.05, 54.95 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 92 + HA ALA 92 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2893 from aliabs.peaks (8.44, 4.05, 54.95 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 93 + HA ALA 92 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 74 - HA ALA 92 far 0 71 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 2894 from aliabs.peaks (7.70, 4.05, 54.95 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 95 + HA ALA 92 OK 100 100 100 100 3.2-3.8 7273/3.6=87, ~9220=76...(27) Violated in 0 structures by 0.00 A. Peak 2895 from aliabs.peaks (1.94, 4.05, 54.95 ppm; 4.34 A): 2 out of 4 assignments used, quality = 1.00: HB3 LYS 95 + HA ALA 92 OK 98 100 100 99 3.8-5.2 4.0/2894=48, ~9948=47...(20) * HB2 LYS 95 + HA ALA 92 OK 98 100 100 98 2.5-4.4 4.0/2894=48, 9948/2.1=35...(23) HB2 ARG 90 - HA ALA 92 far 0 73 0 - 7.4-8.5 HB3 ARG 90 - HA ALA 92 far 0 93 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 2896 from aliabs.peaks (1.94, 4.05, 54.95 ppm; 4.34 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 95 + HA ALA 92 OK 99 100 100 99 3.8-5.2 4.0/2894=48, ~9948=47...(20) HB2 LYS 95 + HA ALA 92 OK 98 100 100 98 2.5-4.4 4.0/2894=48, 9948/2.1=42...(23) HB2 ARG 90 - HA ALA 92 far 0 65 0 - 7.4-8.5 HB3 ARG 90 - HA ALA 92 far 0 97 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 2897 from aliabs.peaks (4.08, 1.43, 18.11 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.97: * HA PHE 89 + QB ALA 92 OK 97 100 100 97 2.8-3.4 2764=54, 7247/7257=47...(19) HB3 SER 74 - QB ALA 92 far 0 68 0 - 7.8-9.8 HA LEU 98 - QB ALA 92 far 0 81 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 2898 from aliabs.peaks (7.82, 1.43, 18.11 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + QB ALA 92 OK 100 100 100 100 2.0-2.2 3.0=100 Violated in 0 structures by 0.00 A. Peak 2899 from aliabs.peaks (4.05, 1.43, 18.11 ppm; 3.08 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 92 + QB ALA 92 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 96 - QB ALA 92 far 0 100 0 - 4.7-6.4 HA LEU 122 - QB ALA 92 far 0 92 0 - 5.2-7.8 HB2 SER 74 - QB ALA 92 far 0 100 0 - 7.6-9.3 HB3 SER 74 - QB ALA 92 far 0 100 0 - 7.8-9.8 HD3 PRO 81 - QB ALA 92 far 0 87 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 2900 from aliabs.peaks (1.43, 1.43, 18.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 92 + QB ALA 92 OK 100 100 - 100 Peak 2901 from aliabs.peaks (8.44, 1.43, 18.11 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 93 + QB ALA 92 OK 100 100 100 100 2.5-2.9 3.7=100 H SER 74 - QB ALA 92 far 0 71 0 - 7.2-8.3 H LEU 70 - QB ALA 92 far 0 63 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 2902 from aliabs.peaks (8.44, 3.25, 66.70 ppm; 4.47 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 93 + HA VAL 93 OK 100 100 100 100 2.8-2.9 2.9=100 H SER 74 + HA VAL 93 OK 60 71 95 88 5.0-6.1 2918/2919=32...(17) H LEU 70 - HA VAL 93 far 0 63 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 2903 from aliabs.peaks (3.25, 3.25, 66.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + HA VAL 93 OK 100 100 - 100 Peak 2904 from aliabs.peaks (1.83, 3.25, 66.70 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 93 + HA VAL 93 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 100 - HA VAL 93 far 0 99 0 - 6.9-8.7 Violated in 0 structures by 0.00 A. Peak 2905 from aliabs.peaks (0.29, 3.25, 66.70 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 93 + HA VAL 93 OK 100 100 100 100 2.1-3.1 3.2=100 QD1 ILE 80 - HA VAL 93 far 0 76 0 - 7.3-10.3 Violated in 0 structures by 0.00 A. Peak 2906 from aliabs.peaks (0.75, 3.25, 66.70 ppm; 3.38 A): 4 out of 7 assignments used, quality = 1.00: * QG1 VAL 93 + HA VAL 93 OK 100 100 100 100 2.2-2.7 3.2=100 QD2 LEU 96 + HA VAL 93 OK 99 100 100 99 1.5-2.9 11806=48, 5.1/7311=23...(51) QD1 LEU 96 + HA VAL 93 OK 75 76 100 98 1.8-4.0 2.1/11806=44...(50) HG12 ILE 129 + HA VAL 93 OK 74 100 75 99 3.3-5.3 2.1/10461=57, ~10487=24...(39) QD1 ILE 32 - HA VAL 93 far 0 87 0 - 7.3-14.9 QD1 ILE 37 - HA VAL 93 far 0 87 0 - 9.1-12.2 QD2 LEU 43 - HA VAL 93 far 0 99 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 2907 from aliabs.peaks (7.99, 3.25, 66.70 ppm; 4.96 A): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + HA VAL 93 OK 100 100 100 100 3.5-3.6 3.6=100 H ILE 129 + HA VAL 93 OK 48 97 50 98 5.8-7.2 7873/10461=71...(13) Violated in 0 structures by 0.00 A. Peak 2908 from aliabs.peaks (8.28, 3.25, 66.70 ppm; 4.89 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 96 + HA VAL 93 OK 100 100 100 100 2.9-3.6 7311=100, 11425/2919=69...(33) H VAL 126 + HA VAL 93 OK 81 100 90 90 5.5-6.9 10400/10461=47...(15) H SER 99 - HA VAL 93 far 0 90 0 - 7.4-8.5 H ALA 29 - HA VAL 93 far 0 65 0 - 7.7-20.9 H ASP 131 - HA VAL 93 far 0 100 0 - 9.2-10.8 H LEU 123 - HA VAL 93 far 0 99 0 - 9.2-11.0 H GLU 30 - HA VAL 93 far 0 99 0 - 9.4-21.4 H LEU 69 - HA VAL 93 far 0 76 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 2909 from aliabs.peaks (1.38, 3.25, 66.70 ppm; 4.23 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 96 + HA VAL 93 OK 100 100 100 100 2.1-4.3 3.2/11806=57...(47) HG LEU 96 + HA VAL 93 OK 88 89 100 100 1.7-4.7 2.1/11806=69...(39) HG2 LYS 95 - HA VAL 93 far 10 99 10 - 4.4-8.3 HG3 LYS 95 - HA VAL 93 far 5 100 5 - 5.1-8.4 QB ALA 29 - HA VAL 93 far 0 100 0 - 7.1-15.8 HB3 LEU 100 - HA VAL 93 far 0 99 0 - 7.6-10.3 QB ALA 28 - HA VAL 93 far 0 100 0 - 8.7-19.9 Violated in 0 structures by 0.00 A. Peak 2910 from aliabs.peaks (2.24, 3.25, 66.70 ppm; 4.59 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 96 + HA VAL 93 OK 100 100 100 100 1.9-4.5 3.2/11806=66...(46) HG2 GLU 97 + HA VAL 93 OK 90 100 90 100 4.5-6.5 11457/4.9=50, ~9972=47...(26) HB3 GLU 97 - HA VAL 93 far 0 76 0 - 6.2-8.2 HB3 GLU 128 - HA VAL 93 far 0 97 0 - 7.1-9.0 HG2 GLU 30 - HA VAL 93 far 0 63 0 - 7.7-23.9 HB3 GLN 127 - HA VAL 93 far 0 83 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 2911 from aliabs.peaks (3.80, 1.83, 31.24 ppm; 4.46 A): 1 out of 6 assignments used, quality = 1.00: * HA ARG 90 + HB VAL 93 OK 100 100 100 100 2.1-4.2 2793=100, 9953/2.1=88...(16) HA SER 130 - HB3 ARG 135 far 0 30 0 - 8.5-10.4 HA SER 130 - HB VAL 93 far 0 68 0 - 9.3-11.2 HB3 SER 130 - HB3 ARG 135 far 0 28 0 - 9.5-11.5 HB2 SER 130 - HB VAL 93 far 0 81 0 - 9.5-11.8 HB3 SER 9 - HB VAL 93 far 0 100 0 - 9.9-47.9 Violated in 0 structures by 0.00 A. Peak 2912 from aliabs.peaks (8.44, 1.83, 31.24 ppm; 4.14 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 93 + HB VAL 93 OK 100 100 100 100 2.2-3.5 4.0=100 H SER 74 + HB VAL 93 OK 39 71 65 86 3.3-6.4 2918/2.1=36, 2924/2.1=34...(13) H LEU 70 - HB VAL 93 far 0 63 0 - 7.2-10.3 Violated in 0 structures by 0.00 A. Peak 2913 from aliabs.peaks (3.25, 1.83, 31.24 ppm; 5.42 A): 2 out of 7 assignments used, quality = 1.00: * HA VAL 93 + HB VAL 93 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 135 + HB3 ARG 135 OK 36 36 100 100 2.0-4.1 3.7=100 HB3 HIS 4 - HB3 ARG 135 far 2 34 5 - 4.8-76.0 HB2 HIS 5 - HB3 ARG 135 far 0 34 0 - 8.0-70.3 HB2 PHE 87 - HB3 ARG 135 far 0 27 0 - 9.4-13.6 HB3 PHE 87 - HB3 ARG 135 far 0 36 0 - 9.6-13.0 HB2 PHE 87 - HB VAL 93 far 0 63 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 2914 from aliabs.peaks (1.83, 1.83, 31.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 93 + HB VAL 93 OK 100 100 - 100 HB3 ARG 135 + HB3 ARG 135 OK 49 49 - 100 Peak 2915 from aliabs.peaks (0.29, 1.83, 31.24 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 93 + HB VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 80 - HB3 ARG 135 far 3 34 10 - 4.8-10.0 QD1 ILE 80 - HB VAL 93 far 0 76 0 - 5.7-8.3 Violated in 0 structures by 0.00 A. Peak 2916 from aliabs.peaks (0.75, 1.83, 31.24 ppm; 3.62 A): 3 out of 8 assignments used, quality = 1.00: * QG1 VAL 93 + HB VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 96 + HB VAL 93 OK 99 100 100 99 2.4-4.3 11806/3.0=44...(44) QD1 LEU 96 + HB VAL 93 OK 68 76 90 99 3.8-6.3 ~11806=26, ~11691=24...(46) HG12 ILE 129 - HB VAL 93 poor 20 100 20 - 3.9-6.6 QD2 LEU 43 - HB3 ARG 135 far 0 52 0 - 6.2-9.0 QD1 ILE 32 - HB VAL 93 far 0 87 0 - 6.5-16.5 QD1 ILE 37 - HB VAL 93 far 0 87 0 - 9.1-13.7 QD2 LEU 43 - HB VAL 93 far 0 99 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2917 from aliabs.peaks (7.99, 1.83, 31.24 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + HB VAL 93 OK 100 100 100 100 2.4-4.1 4.7=100 H ILE 129 - HB VAL 93 far 0 97 0 - 7.5-9.4 Violated in 0 structures by 0.00 A. Peak 2918 from aliabs.peaks (8.44, 0.29, 23.10 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.9 7270=88, 7269/2.1=54...(18) H SER 74 + QG2 VAL 93 OK 65 71 100 92 3.2-3.9 3.6/9955=30, 2924/2.1=22...(21) H LEU 70 - QG2 VAL 93 far 0 63 0 - 6.2-7.5 H ASP 47 - QG2 VAL 93 far 0 81 0 - 9.1-13.3 Violated in 0 structures by 0.00 A. Peak 2919 from aliabs.peaks (3.25, 0.29, 23.10 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-3.1 3.2=98, 2.9/7270=49...(27) HB2 PHE 87 - QG2 VAL 93 far 0 63 0 - 8.6-9.7 HB3 PHE 87 - QG2 VAL 93 far 0 81 0 - 8.8-9.8 HD3 ARG 135 - QG2 VAL 93 far 0 81 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 2920 from aliabs.peaks (1.83, 0.29, 23.10 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 93 + QG2 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 100 - QG2 VAL 93 far 0 99 0 - 7.5-9.4 HB2 CYS 79 - QG2 VAL 93 far 0 100 0 - 7.9-10.2 HB ILE 32 - QG2 VAL 93 far 0 89 0 - 8.0-15.2 Violated in 0 structures by 0.00 A. Peak 2921 from aliabs.peaks (0.29, 0.29, 23.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 93 + QG2 VAL 93 OK 100 100 - 100 Peak 2922 from aliabs.peaks (0.75, 0.29, 23.10 ppm; 2.62 A): 4 out of 7 assignments used, quality = 1.00: * QG1 VAL 93 + QG2 VAL 93 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 96 + QG2 VAL 93 OK 95 100 100 95 2.1-3.6 11806/3.2=20...(60) HG12 ILE 129 + QG2 VAL 93 OK 89 100 95 94 1.9-6.1 2.1/10487=40...(32) QD1 LEU 96 + QG2 VAL 93 OK 63 76 90 93 1.8-4.6 3.2/9971=13...(55) QD1 ILE 32 - QG2 VAL 93 far 0 87 0 - 5.3-12.8 QD1 ILE 37 - QG2 VAL 93 far 0 87 0 - 6.1-10.3 QD2 LEU 43 - QG2 VAL 93 far 0 99 0 - 6.6-9.6 Violated in 0 structures by 0.00 A. Peak 2923 from aliabs.peaks (7.99, 0.29, 23.10 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * H SER 94 + QG2 VAL 93 OK 100 100 100 100 2.1-4.2 7282=100, 7281/2.1=82...(34) H ILE 129 + QG2 VAL 93 OK 76 97 80 97 4.9-8.0 7873/10487=55...(19) Violated in 1 structures by 0.00 A. Peak 2924 from aliabs.peaks (8.44, 0.75, 21.32 ppm; 3.53 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 93 + QG1 VAL 93 OK 100 100 100 100 1.6-3.8 7270/2.1=73, 3.9=72...(15) H SER 74 + QG1 VAL 93 OK 67 71 100 95 2.3-4.4 3.6/11422=34...(21) H LEU 70 - QG1 VAL 93 far 0 63 0 - 5.6-7.7 Violated in 0 structures by 0.00 A. Peak 2925 from aliabs.peaks (3.25, 0.75, 21.32 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 93 + QG1 VAL 93 OK 100 100 100 100 2.2-2.7 3.2=100 HB2 PHE 87 - QG1 VAL 93 far 0 63 0 - 8.2-11.1 HB3 PHE 87 - QG1 VAL 93 far 0 81 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 2926 from aliabs.peaks (1.83, 0.75, 21.32 ppm; 3.20 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 93 + QG1 VAL 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 100 - QG1 VAL 93 far 0 99 0 - 6.5-9.4 HB ILE 32 - QG1 VAL 93 far 0 89 0 - 6.9-14.5 HB2 CYS 79 - QG1 VAL 93 far 0 100 0 - 9.1-11.3 HB3 LYS 31 - QG1 VAL 93 far 0 90 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 2927 from aliabs.peaks (0.29, 0.75, 21.32 ppm; 2.74 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 93 + QG1 VAL 93 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 80 - QG1 VAL 93 far 4 76 5 - 3.8-7.7 Violated in 0 structures by 0.00 A. Peak 2928 from aliabs.peaks (0.75, 0.75, 21.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 93 + QG1 VAL 93 OK 100 100 - 100 Peak 2929 from aliabs.peaks (7.99, 0.75, 21.32 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H SER 94 + QG1 VAL 93 OK 100 100 100 100 2.8-4.0 7281/2.1=83, 4.3=82...(24) H ILE 129 - QG1 VAL 93 far 0 97 0 - 5.6-8.0 Violated in 0 structures by 0.00 A. Peak 2930 from aliabs.peaks (7.99, 4.24, 61.49 ppm; 4.54 A): 1 out of 3 assignments used, quality = 1.00: * H SER 94 + HA SER 94 OK 100 100 100 100 2.7-2.9 2.9=100 H ILE 129 - HA SER 124 far 0 89 0 - 6.1-7.1 H SER 51 - HA SER 124 far 0 91 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 2931 from aliabs.peaks (4.24, 4.24, 61.49 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 94 + HA SER 94 OK 100 100 - 100 HA SER 124 + HA SER 124 OK 92 92 - 100 Peak 2932 from aliabs.peaks (3.90, 4.24, 61.49 ppm; 3.99 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 94 + HA SER 94 OK 100 100 100 100 2.3-2.7 3.0=100 HA ALA 46 - HA SER 124 far 0 91 0 - 7.0-11.1 HB3 SER 50 - HA SER 124 far 0 73 0 - 7.0-9.4 HA LEU 70 - HA SER 94 far 0 87 0 - 7.2-9.0 HA2 GLY 2 - HA SER 124 far 0 93 0 - 8.1-73.5 HA3 GLY 2 - HA SER 124 far 0 93 0 - 9.0-73.8 HA3 GLY 75 - HA SER 94 far 0 99 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2933 from aliabs.peaks (3.97, 4.24, 61.49 ppm; 3.97 A): 2 out of 7 assignments used, quality = 1.00: * HB3 SER 94 + HA SER 94 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 124 + HA SER 124 OK 78 78 100 100 2.2-3.0 3.0=100 HA GLN 127 - HA SER 124 far 14 93 15 - 5.4-6.0 HA SER 50 - HA SER 124 poor 13 64 20 - 4.5-8.1 HA GLU 91 - HA SER 94 far 10 100 10 - 5.4-6.1 HB3 SER 99 - HA SER 94 far 0 71 0 - 7.9-10.5 HB3 SER 99 - HA SER 124 far 0 61 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 2934 from aliabs.peaks (7.70, 4.24, 61.49 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HA SER 94 OK 100 100 100 100 3.4-3.5 3.6=100 H GLN 101 - HA SER 94 far 0 93 0 - 7.3-8.8 Violated in 0 structures by 0.00 A. Peak 2935 from aliabs.peaks (8.50, 4.24, 61.49 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 97 + HA SER 94 OK 100 100 100 100 3.6-4.4 7334=100, 7345/3117=72...(17) H LEU 100 - HA SER 94 far 0 98 0 - 7.7-8.7 H HIS 4 - HA SER 124 far 0 80 0 - 8.7-68.3 H VAL 132 - HA SER 124 far 0 64 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 2936 from aliabs.peaks (2.13, 4.24, 61.49 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 97 + HA SER 94 OK 100 100 100 100 3.4-5.0 3117=100, 2.9/11457=70...(12) HB VAL 126 - HA SER 124 far 3 61 5 - 5.7-7.6 HB VAL 126 - HA SER 94 far 0 71 0 - 8.6-12.5 HB3 LEU 69 - HA SER 124 far 0 64 0 - 9.1-13.4 Violated in 7 structures by 0.09 A. Peak 2937 from aliabs.peaks (2.22, 4.24, 61.49 ppm; 4.36 A): 4 out of 9 assignments used, quality = 1.00: HB3 GLN 127 + HA SER 124 OK 93 93 100 100 3.0-4.7 4049=99, 1.8/4039=84...(15) * HB3 GLU 97 + HA SER 94 OK 85 100 85 100 4.5-6.3 1.8/3117=89...(14) HB3 GLU 128 + HA SER 124 OK 73 86 95 89 4.1-7.2 3.6/7838=39, 3125=31...(11) HG2 GLU 97 + HA SER 94 OK 64 76 85 99 2.4-6.4 2.9/3117=73, 11457=65...(14) HB3 LEU 96 - HA SER 94 poor 15 76 20 - 5.6-7.3 HB2 GLN 101 - HA SER 94 far 0 93 0 - 7.0-8.9 HG2 GLU 91 - HA SER 94 far 0 98 0 - 7.0-7.9 HB3 LEU 96 - HA SER 124 far 0 66 0 - 7.7-9.0 HB3 GLU 102 - HA SER 94 far 0 98 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 2938 from aliabs.peaks (3.97, 3.90, 63.10 ppm; 4.74 A): 2 out of 8 assignments used, quality = 1.00: HB3 SER 94 + HB2 SER 94 OK 100 100 100 100 1.8-1.8 1.8=100 * HA GLU 91 + HB2 SER 94 OK 89 100 100 89 3.1-4.5 2858=52, 2857/3.6=38...(7) HA3 GLY 17 - HB2 SER 33 far 6 61 10 - 6.1-29.2 HA GLN 68 - HB2 SER 33 far 2 37 5 - 5.7-12.9 HA2 GLY 17 - HB2 SER 33 far 0 50 0 - 6.7-28.5 HA VAL 20 - HB2 SER 33 far 0 59 0 - 7.3-26.8 HA THR 65 - HB2 SER 33 far 0 73 0 - 9.3-18.1 HB3 SER 99 - HB2 SER 94 far 0 73 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 2940 from aliabs.peaks (4.24, 3.90, 63.10 ppm; 4.22 A): 2 out of 12 assignments used, quality = 1.00: * HA SER 94 + HB2 SER 94 OK 100 100 100 100 2.3-2.7 3.0=100 HA ALA 34 + HB2 SER 33 OK 33 47 70 100 4.5-6.1 3.0/6373=72, ~949=48...(15) HA ALA 28 - HB2 SER 94 far 5 99 5 - 4.8-28.3 HA GLU 30 - HB2 SER 33 far 0 48 0 - 5.9-11.4 HA ALA 29 - HB2 SER 33 far 0 67 0 - 6.2-10.5 HA LEU 22 - HB2 SER 33 far 0 41 0 - 7.0-26.2 HB3 SER 38 - HB2 SER 33 far 0 48 0 - 7.5-12.7 HA GLN 27 - HB2 SER 33 far 0 69 0 - 8.1-15.8 HA GLU 30 - HB2 SER 94 far 0 76 0 - 8.3-26.5 HA GLN 27 - HB2 SER 94 far 0 98 0 - 8.8-29.6 HA ALA 29 - HB2 SER 94 far 0 97 0 - 9.1-24.6 HA ALA 28 - HB2 SER 33 far 0 72 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 2941 from aliabs.peaks (3.90, 3.90, 63.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 94 + HB2 SER 94 OK 100 100 - 100 HB2 SER 33 + HB2 SER 33 OK 70 70 - 100 Peak 2942 from aliabs.peaks (3.97, 3.90, 63.10 ppm; 2.53 A): 2 out of 8 assignments used, quality = 1.00: * HB3 SER 94 + HB2 SER 94 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLU 91 + HB2 SER 94 OK 24 100 70 34 3.1-4.5 2858=10, 2857/3.6=10...(6) HA GLN 68 - HB2 SER 33 far 0 35 0 - 5.7-12.9 HA3 GLY 17 - HB2 SER 33 far 0 62 0 - 6.1-29.2 HA2 GLY 17 - HB2 SER 33 far 0 52 0 - 6.7-28.5 HA VAL 20 - HB2 SER 33 far 0 57 0 - 7.3-26.8 HA THR 65 - HB2 SER 33 far 0 73 0 - 9.3-18.1 HB3 SER 99 - HB2 SER 94 far 0 71 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 2944 from aliabs.peaks (3.97, 3.97, 63.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB3 SER 94 + HB3 SER 94 OK 100 100 - 100 Reference assignment not found: HA GLU 91 - HB3 SER 94 Peak 2946 from aliabs.peaks (4.24, 3.97, 63.10 ppm; 5.15 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 94 + HB3 SER 94 OK 100 100 100 100 3.0-3.0 3.0=100 HA ALA 28 - HB3 SER 94 far 5 99 5 - 6.4-27.5 HA GLN 27 - HB3 SER 94 far 0 98 0 - 9.8-30.1 HA GLU 30 - HB3 SER 94 far 0 76 0 - 9.8-27.0 Violated in 0 structures by 0.00 A. Peak 2947 from aliabs.peaks (3.90, 3.97, 63.10 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 94 + HB3 SER 94 OK 100 100 100 100 1.8-1.8 1.8=100 HA LEU 70 - HB3 SER 94 far 0 87 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2948 from aliabs.peaks (3.97, 3.97, 63.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 94 + HB3 SER 94 OK 100 100 - 100 Peak 2949 from aliabs.peaks (7.70, 3.97, 63.10 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HB3 SER 94 OK 100 100 100 100 2.8-3.3 4.4=100 H GLN 101 - HB3 SER 94 far 0 93 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2950 from aliabs.peaks (7.70, 4.02, 59.53 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HA LYS 95 OK 100 100 100 100 2.9-2.9 2.9=100 H GLN 101 - HA LYS 95 far 0 93 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 2951 from aliabs.peaks (4.02, 4.02, 59.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 95 + HA LYS 95 OK 100 100 - 100 Peak 2952 from aliabs.peaks (1.94, 4.02, 59.53 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 GLN 27 - HA LYS 95 far 0 63 0 - 6.4-27.9 HB3 ARG 90 - HA LYS 95 far 0 93 0 - 9.5-11.7 HB2 ARG 90 - HA LYS 95 far 0 73 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 2953 from aliabs.peaks (1.94, 4.02, 59.53 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLN 27 - HA LYS 95 far 0 71 0 - 6.4-27.9 HB3 ARG 90 - HA LYS 95 far 0 97 0 - 9.5-11.7 HB2 ARG 90 - HA LYS 95 far 0 65 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 2954 from aliabs.peaks (1.39, 4.02, 59.53 ppm; 4.39 A): 3 out of 11 assignments used, quality = 1.00: * HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.2-3.6 3.9=100 HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.1-4.1 3.9=100 HG LEU 96 + HA LYS 95 OK 37 98 40 93 4.9-7.1 2.1/11441=31...(32) HB2 LEU 96 - HA LYS 95 far 15 99 15 - 5.5-6.6 QB ALA 108 - HA LYS 95 far 0 98 0 - 6.1-18.7 HG2 LYS 24 - HA LYS 95 far 0 96 0 - 6.3-34.2 QB ALA 110 - HA LYS 95 far 0 99 0 - 6.9-22.2 HB3 LEU 100 - HA LYS 95 far 0 92 0 - 7.7-9.6 QB ALA 28 - HA LYS 95 far 0 100 0 - 8.2-21.8 QB ALA 29 - HA LYS 95 far 0 97 0 - 8.8-18.6 QB ALA 109 - HA LYS 95 far 0 100 0 - 9.9-20.0 Violated in 0 structures by 0.00 A. Peak 2955 from aliabs.peaks (1.39, 4.02, 59.53 ppm; 4.39 A): 3 out of 11 assignments used, quality = 1.00: * HG3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.1-4.1 3.9=100 HG2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.2-3.6 3.9=100 HG LEU 96 + HA LYS 95 OK 36 96 40 93 4.9-7.1 2.1/11441=31...(32) HB2 LEU 96 - HA LYS 95 far 15 100 15 - 5.5-6.6 QB ALA 108 - HA LYS 95 far 0 99 0 - 6.1-18.7 HG2 LYS 24 - HA LYS 95 far 0 98 0 - 6.3-34.2 QB ALA 110 - HA LYS 95 far 0 100 0 - 6.9-22.2 HB3 LEU 100 - HA LYS 95 far 0 96 0 - 7.7-9.6 QB ALA 28 - HA LYS 95 far 0 100 0 - 8.2-21.8 QB ALA 29 - HA LYS 95 far 0 99 0 - 8.8-18.6 QB ALA 109 - HA LYS 95 far 0 100 0 - 9.9-20.0 Violated in 0 structures by 0.00 A. Peak 2956 from aliabs.peaks (1.65, 4.02, 59.53 ppm; 4.48 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 95 + HA LYS 95 OK 100 100 100 100 3.1-5.5 5.0=71, 7303/2.9=36...(30) HD3 LYS 95 + HA LYS 95 OK 99 100 100 100 1.9-4.9 5.0=71, 7304/2.9=36...(33) HB2 LEU 98 + HA LYS 95 OK 99 99 100 100 3.7-5.1 3158=98, 1.8/2963=89...(15) HD3 LYS 24 - HA LYS 95 far 5 100 5 - 4.2-34.8 HD2 LYS 24 - HA LYS 95 far 5 99 5 - 4.1-35.8 Violated in 0 structures by 0.00 A. Peak 2957 from aliabs.peaks (1.66, 4.02, 59.53 ppm; 4.47 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 95 + HA LYS 95 OK 100 100 100 100 1.9-4.9 5.0=71, 7304/2.9=36...(33) HD2 LYS 95 + HA LYS 95 OK 99 100 100 100 3.1-5.5 5.0=71, 7303/2.9=36...(30) HB2 LEU 98 + HA LYS 95 OK 95 95 100 100 3.7-5.1 3158=91, 1.8/2963=88...(15) HD2 LYS 24 - HA LYS 95 far 5 100 5 - 4.1-35.8 HD3 LYS 24 - HA LYS 95 far 5 99 5 - 4.2-34.8 Violated in 0 structures by 0.00 A. Peak 2958 from aliabs.peaks (2.87, 4.02, 59.53 ppm; 5.36 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.8-4.5 6.4=58, 1.8/3044=47...(24) HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.4-5.0 6.4=58, 1.8/3033=47...(24) Violated in 0 structures by 0.00 A. Peak 2959 from aliabs.peaks (2.87, 4.02, 59.53 ppm; 5.38 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 95 + HA LYS 95 OK 100 100 100 100 2.4-5.0 6.4=59, 1.8/3033=47...(24) HE2 LYS 95 + HA LYS 95 OK 100 100 100 100 2.8-4.5 6.4=59, 1.8/3044=47...(24) Violated in 0 structures by 0.00 A. Peak 2960 from aliabs.peaks (8.28, 4.02, 59.53 ppm; 4.53 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 96 + HA LYS 95 OK 100 100 100 100 3.3-3.6 3.6=100 H SER 99 + HA LYS 95 OK 89 90 100 99 3.6-4.5 4.6/3158=53, 4.6/2963=51...(23) H VAL 126 - HA LYS 95 far 0 100 0 - 7.2-9.8 H LEU 123 - HA LYS 95 far 0 99 0 - 8.2-10.5 H ALA 29 - HA LYS 95 far 0 65 0 - 8.8-24.6 Violated in 0 structures by 0.00 A. Peak 2961 from aliabs.peaks (7.75, 4.02, 59.53 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HA LYS 95 OK 100 100 100 100 3.2-4.3 7364/2963=77...(19) Violated in 0 structures by 0.00 A. Peak 2962 from aliabs.peaks (1.65, 4.02, 59.53 ppm; 4.13 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 98 + HA LYS 95 OK 100 100 100 100 3.7-5.1 3158=100, 1.8/2963=80...(15) HD2 LYS 95 + HA LYS 95 OK 98 99 100 99 3.1-5.5 5.0=56, 7303/2.9=31...(30) HD3 LYS 95 + HA LYS 95 OK 94 95 100 99 1.9-4.9 5.0=56, 7303/2.9=31...(33) HD3 LYS 24 - HA LYS 95 far 5 99 5 - 4.2-34.8 HD2 LYS 24 - HA LYS 95 far 5 92 5 - 4.1-35.8 Violated in 1 structures by 0.00 A. Peak 2963 from aliabs.peaks (1.78, 4.02, 59.53 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 98 + HA LYS 95 OK 100 100 100 100 2.2-4.3 1.8/3158=86...(25) HB3 LEU 122 - HA LYS 95 far 5 99 5 - 5.1-9.6 HG LEU 100 - HA LYS 95 far 0 97 0 - 9.8-10.6 Violated in 1 structures by 0.00 A. Peak 2964 from aliabs.peaks (4.05, 1.94, 32.11 ppm; 4.40 A): 6 out of 14 assignments used, quality = 1.00: * HA ALA 92 + HB2 LYS 95 OK 99 100 100 99 2.5-4.4 2895=50, 2894/4.0=49...(23) HA ALA 92 + HB3 LYS 95 OK 99 100 100 99 3.8-5.2 2895=50, 2894/4.0=49...(19) HA LEU 96 + HB2 LYS 95 OK 95 100 100 95 4.0-4.9 2.9/7316=32, ~7317=22...(35) HA LEU 96 + HB3 LYS 95 OK 95 100 100 95 3.9-5.7 2.9/7316=32, ~7316=22...(35) HD3 PRO 81 + HB3 PRO 81 OK 40 40 100 100 3.0-4.0 3.0=100 HA LEU 122 + HB3 LYS 95 OK 27 91 80 38 3.8-7.2 3862/4.6=10...(10) HA LEU 122 - HB2 LYS 95 poor 17 92 50 38 4.6-7.1 3862/4.6=10...(10) HA LEU 119 - HB3 LYS 95 far 0 59 0 - 7.5-13.2 HA LEU 119 - HB2 PRO 58 far 0 45 0 - 8.9-15.3 HB2 SER 74 - HB2 LYS 95 far 0 100 0 - 9.1-12.2 HA LEU 119 - HB2 LYS 95 far 0 60 0 - 9.1-13.5 HB THR 65 - HB2 PRO 58 far 0 81 0 - 9.2-11.1 HB3 SER 74 - HB2 LYS 95 far 0 100 0 - 9.7-12.2 HB2 SER 74 - HB3 LYS 95 far 0 100 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2965 from aliabs.peaks (7.70, 1.94, 32.11 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.6 4.0=100 H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.0-3.7 4.0=100 H GLN 101 - HB3 LYS 95 far 0 92 0 - 8.1-9.5 H GLN 101 - HB2 LYS 95 far 0 93 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 2966 from aliabs.peaks (4.02, 1.94, 32.11 ppm; 4.16 A): 7 out of 17 assignments used, quality = 1.00: * HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-2.8 3.0=100 HA SER 60 + HB2 PRO 58 OK 67 74 95 95 4.7-6.7 2.8/9332=42, ~9330=34...(15) HA LEU 96 + HB2 LYS 95 OK 55 60 100 91 4.0-4.9 2.9/7316=29, ~7317=20...(35) HA LEU 96 + HB3 LYS 95 OK 51 59 95 91 3.9-5.7 2.9/7316=29, ~7316=20...(35) HD3 PRO 81 + HB3 PRO 81 OK 47 47 100 100 3.0-4.0 3.0=100 HA LEU 122 + HB3 LYS 95 OK 21 91 65 36 3.8-7.2 7310/4.6=10...(9) HB3 SER 99 - HB3 LYS 95 poor 16 64 25 - 4.4-7.5 HA LEU 122 - HB2 LYS 95 poor 13 92 40 36 4.6-7.1 7310/4.6=10...(9) HA ARG 135 - HB3 PRO 81 far 8 50 15 - 4.6-10.8 HB3 SER 99 - HB2 LYS 95 far 0 65 0 - 5.8-8.2 HB3 SER 124 - HB2 LYS 95 far 0 96 0 - 6.5-9.1 HB3 SER 124 - HB3 LYS 95 far 0 95 0 - 6.8-9.5 HA LEU 119 - HB3 LYS 95 far 0 100 0 - 7.5-13.2 HB2 SER 38 - HB3 PRO 81 far 0 36 0 - 8.1-16.8 HA LEU 119 - HB2 PRO 58 far 0 86 0 - 8.9-15.3 HA LEU 119 - HB2 LYS 95 far 0 100 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 2967 from aliabs.peaks (1.94, 1.94, 32.11 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 HB3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 HB2 PRO 58 + HB2 PRO 58 OK 78 78 - 100 HB3 PRO 81 + HB3 PRO 81 OK 43 43 - 100 Peak 2968 from aliabs.peaks (1.94, 1.94, 32.11 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 HB3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 HB2 PRO 58 + HB2 PRO 58 OK 82 82 - 100 HB3 PRO 81 + HB3 PRO 81 OK 47 47 - 100 Reference assignment not found: HB3 LYS 95 - HB2 LYS 95 Peak 2969 from aliabs.peaks (1.39, 1.94, 32.11 ppm; 4.54 A): 9 out of 30 assignments used, quality = 1.00: * HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 88 99 95 94 4.3-6.1 3.8/7316=28, 3248/4.0=16...(40) HB2 LEU 96 + HB3 LYS 95 OK 55 98 60 94 4.8-7.1 3.8/7316=28, 3248/4.0=16...(41) HG LEU 96 + HB2 LYS 95 OK 33 98 40 85 4.0-7.3 5.0/7316=22...(25) QB ALA 109 + HB2 PRO 58 OK 31 86 40 90 2.4-15.7 10925/2.3=54...(5) HG LEU 96 + HB3 LYS 95 OK 29 97 35 84 4.9-8.2 5.0/7316=22...(24) QB ALA 110 - HB2 PRO 58 poor 17 84 20 - 2.1-17.2 QB ALA 108 - HB2 PRO 58 far 12 82 15 - 5.0-16.0 QB ALA 16 - HB2 PRO 58 far 4 86 5 - 5.1-32.3 HG2 LYS 19 - HB2 PRO 58 far 3 69 5 - 5.7-38.6 QB ALA 12 - HB2 PRO 58 far 2 45 5 - 4.6-36.0 HG2 LYS 86 - HB3 PRO 81 far 0 31 0 - 6.1-10.1 QB ALA 110 - HB3 LYS 95 far 0 99 0 - 6.4-21.9 QB ALA 29 - HB2 PRO 58 far 0 81 0 - 6.7-17.5 QB ALA 108 - HB3 LYS 95 far 0 97 0 - 7.2-19.3 HB3 LEU 100 - HB3 LYS 95 far 0 91 0 - 7.2-9.9 QB ALA 28 - HB2 PRO 58 far 0 85 0 - 7.3-22.0 HG2 LYS 24 - HB3 LYS 95 far 0 95 0 - 7.5-33.5 QB ALA 110 - HB2 LYS 95 far 0 99 0 - 7.7-22.5 QB ALA 15 - HB2 PRO 58 far 0 83 0 - 8.0-35.9 HB3 LEU 100 - HB2 LYS 95 far 0 92 0 - 8.0-10.6 QB ALA 108 - HB2 LYS 95 far 0 98 0 - 8.3-19.9 HG2 LYS 24 - HB2 LYS 95 far 0 96 0 - 8.6-33.5 HG3 LYS 26 - HB2 PRO 58 far 0 83 0 - 8.8-26.1 QB ALA 34 - HB3 PRO 81 far 0 29 0 - 9.2-18.6 HB2 LEU 42 - HB3 PRO 81 far 0 43 0 - 9.5-14.8 QB ALA 28 - HB2 LYS 95 far 0 100 0 - 9.6-21.0 Violated in 0 structures by 0.00 A. Peak 2970 from aliabs.peaks (1.39, 1.94, 32.11 ppm; 4.54 A): 9 out of 30 assignments used, quality = 1.00: * HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 89 100 95 94 4.3-6.1 3.8/7316=28, 3248/4.0=16...(40) HB2 LEU 96 + HB3 LYS 95 OK 56 99 60 94 4.8-7.1 3.8/7316=28, 3248/4.0=16...(41) HG LEU 96 + HB2 LYS 95 OK 32 96 40 85 4.0-7.3 5.0/7316=22, ~11441=19...(25) QB ALA 109 + HB2 PRO 58 OK 31 86 40 90 2.4-15.7 10925/2.3=55...(5) HG LEU 96 + HB3 LYS 95 OK 28 95 35 84 4.9-8.2 5.0/7316=22...(24) QB ALA 110 - HB2 PRO 58 poor 17 86 20 - 2.1-17.2 QB ALA 108 - HB2 PRO 58 far 13 84 15 - 5.0-16.0 QB ALA 16 - HB2 PRO 58 far 4 84 5 - 5.1-32.3 HG2 LYS 19 - HB2 PRO 58 far 4 74 5 - 5.7-38.6 QB ALA 12 - HB2 PRO 58 far 3 52 5 - 4.6-36.0 HG2 LYS 86 - HB3 PRO 81 far 0 26 0 - 6.1-10.1 QB ALA 110 - HB3 LYS 95 far 0 100 0 - 6.4-21.9 QB ALA 29 - HB2 PRO 58 far 0 83 0 - 6.7-17.5 QB ALA 108 - HB3 LYS 95 far 0 99 0 - 7.2-19.3 HB3 LEU 100 - HB3 LYS 95 far 0 95 0 - 7.2-9.9 QB ALA 28 - HB2 PRO 58 far 0 86 0 - 7.3-22.0 HG2 LYS 24 - HB3 LYS 95 far 0 97 0 - 7.5-33.5 QB ALA 110 - HB2 LYS 95 far 0 100 0 - 7.7-22.5 QB ALA 15 - HB2 PRO 58 far 0 85 0 - 8.0-35.9 HB3 LEU 100 - HB2 LYS 95 far 0 96 0 - 8.0-10.6 QB ALA 108 - HB2 LYS 95 far 0 99 0 - 8.3-19.9 HG2 LYS 24 - HB2 LYS 95 far 0 98 0 - 8.6-33.5 HG3 LYS 26 - HB2 PRO 58 far 0 85 0 - 8.8-26.1 QB ALA 34 - HB3 PRO 81 far 0 25 0 - 9.2-18.6 HB2 LEU 42 - HB3 PRO 81 far 0 47 0 - 9.5-14.8 QB ALA 28 - HB2 LYS 95 far 0 100 0 - 9.6-21.0 Violated in 0 structures by 0.00 A. Peak 2971 from aliabs.peaks (1.65, 1.94, 32.11 ppm; 4.22 A): 5 out of 27 assignments used, quality = 1.00: * HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 99 99 100 100 2.8-3.8 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 29 98 30 99 5.1-7.4 3158/3.0=66, ~2963=43...(25) HD2 LYS 39 - HB3 PRO 81 poor 6 31 20 - 5.2-12.1 HD3 LYS 24 - HB3 LYS 95 far 5 100 5 - 5.1-34.1 HD2 LYS 24 - HB3 LYS 95 far 5 98 5 - 5.6-35.2 HD2 LYS 19 - HB2 PRO 58 far 4 85 5 - 5.6-37.7 HD3 LYS 86 - HB3 PRO 81 far 0 52 0 - 5.8-10.6 HD3 LYS 26 - HB2 PRO 58 far 0 83 0 - 5.9-27.5 HD3 LYS 24 - HB2 LYS 95 far 0 100 0 - 6.2-33.9 HD2 LYS 24 - HB2 LYS 95 far 0 99 0 - 6.2-35.0 HB2 LEU 98 - HB2 LYS 95 far 0 99 0 - 6.4-8.0 HD2 LYS 86 - HB3 PRO 81 far 0 52 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 45 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 41 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 85 0 - 7.0-28.1 HD3 LYS 19 - HB2 PRO 58 far 0 84 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 82 0 - 7.4-9.0 QB ALA 88 - HB2 LYS 95 far 0 98 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 49 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 47 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 99 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 97 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 83 0 - 9.1-32.1 HB2 LEU 123 - HB2 LYS 95 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2972 from aliabs.peaks (1.66, 1.94, 32.11 ppm; 4.22 A): 5 out of 27 assignments used, quality = 1.00: * HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 99 99 100 100 3.3-4.2 3.7=100 HB2 LEU 98 + HB3 LYS 95 OK 28 94 30 99 5.1-7.4 3158/3.0=62, ~2963=43...(25) HD2 LYS 39 - HB3 PRO 81 poor 7 37 20 - 5.2-12.1 HD2 LYS 24 - HB3 LYS 95 far 5 100 5 - 5.6-35.2 HD3 LYS 24 - HB3 LYS 95 far 5 99 5 - 5.1-34.1 HD2 LYS 19 - HB2 PRO 58 far 4 82 5 - 5.6-37.7 HD3 LYS 86 - HB3 PRO 81 far 0 51 0 - 5.8-10.6 HD3 LYS 26 - HB2 PRO 58 far 0 86 0 - 5.9-27.5 HD3 LYS 24 - HB2 LYS 95 far 0 99 0 - 6.2-33.9 HD2 LYS 24 - HB2 LYS 95 far 0 100 0 - 6.2-35.0 HB2 LEU 98 - HB2 LYS 95 far 0 95 0 - 6.4-8.0 HD2 LYS 86 - HB3 PRO 81 far 0 52 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 39 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 35 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 86 0 - 7.0-28.1 HD3 LYS 19 - HB2 PRO 58 far 0 80 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 76 0 - 7.4-9.0 QB ALA 88 - HB2 LYS 95 far 0 100 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 52 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 42 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 97 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 99 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 86 0 - 9.1-32.1 HB2 LEU 123 - HB2 LYS 95 far 0 97 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2973 from aliabs.peaks (2.87, 1.94, 32.11 ppm; 5.33 A): 5 out of 6 assignments used, quality = 1.00: * HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 77 85 95 96 4.8-6.9 6718/4.3=78, 4.5/9332=50...(8) HB2 ASN 116 - HB2 PRO 58 far 0 65 0 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 2974 from aliabs.peaks (2.87, 1.94, 32.11 ppm; 5.33 A): 5 out of 6 assignments used, quality = 1.00: * HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 76 84 95 96 4.8-6.9 6718/4.3=78, 4.5/9332=50...(8) HB2 ASN 116 - HB2 PRO 58 far 0 69 0 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 2975 from aliabs.peaks (8.28, 1.94, 32.11 ppm; 4.78 A): 5 out of 13 assignments used, quality = 1.00: * H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.5-4.0 4.6=100 H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.1-4.4 4.6=100 H SER 99 + HB3 LYS 95 OK 73 89 100 82 4.4-6.2 2960/3.0=34...(19) H SER 99 + HB2 LYS 95 OK 53 90 75 78 5.5-6.7 2960/3.0=34, ~11341=14...(18) H VAL 126 + HB2 LYS 95 OK 21 100 30 69 5.2-8.2 3.6/11650=27...(10) H VAL 126 - HB3 LYS 95 poor 20 99 30 66 6.0-8.3 4.7/11652=26...(10) H ARG 23 - HB2 PRO 58 far 0 76 0 - 6.5-31.3 H LEU 123 - HB3 LYS 95 far 0 98 0 - 6.6-10.3 H LEU 123 - HB2 LYS 95 far 0 99 0 - 7.8-9.9 H GLU 30 - HB2 PRO 58 far 0 83 0 - 7.9-25.1 H GLU 40 - HB3 PRO 81 far 0 47 0 - 8.0-14.9 H LEU 43 - HB3 PRO 81 far 0 47 0 - 9.8-16.6 H ALA 29 - HB2 PRO 58 far 0 50 0 - 9.9-22.5 Violated in 0 structures by 0.00 A. Peak 2976 from aliabs.peaks (4.05, 1.94, 32.11 ppm; 4.41 A): 6 out of 15 assignments used, quality = 1.00: * HA ALA 92 + HB3 LYS 95 OK 99 100 100 99 3.8-5.2 2896=50, 2894/4.0=49...(19) HA ALA 92 + HB2 LYS 95 OK 99 100 100 99 2.5-4.4 2896=50, 2894/4.0=49...(23) HA LEU 96 + HB3 LYS 95 OK 95 100 100 95 3.9-5.7 2.9/7317=32, ~7316=22...(35) HA LEU 96 + HB2 LYS 95 OK 95 100 100 95 4.0-4.9 2.9/7317=32, ~7317=22...(35) HD3 PRO 81 + HB3 PRO 81 OK 47 47 100 100 3.0-4.0 3.0=100 HA LEU 122 + HB3 LYS 95 OK 28 92 80 39 3.8-7.2 3862/4.6=10...(10) HA LEU 122 - HB2 LYS 95 poor 17 91 50 38 4.6-7.1 3862/4.6=10...(11) HD3 PRO 81 - HB3 LYS 86 far 1 27 5 - 5.7-9.1 HA LEU 119 - HB3 LYS 95 far 0 60 0 - 7.5-13.2 HA LEU 119 - HB2 PRO 58 far 0 51 0 - 8.9-15.3 HB2 SER 74 - HB2 LYS 95 far 0 100 0 - 9.1-12.2 HA LEU 119 - HB2 LYS 95 far 0 59 0 - 9.1-13.5 HB THR 65 - HB2 PRO 58 far 0 88 0 - 9.2-11.1 HB3 SER 74 - HB2 LYS 95 far 0 99 0 - 9.7-12.2 HB2 SER 74 - HB3 LYS 95 far 0 100 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2977 from aliabs.peaks (7.70, 1.94, 32.11 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.0-3.7 4.0=100 H LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-3.6 4.0=100 H GLN 101 - HB3 LYS 95 far 0 93 0 - 8.1-9.5 H GLN 101 - HB2 LYS 95 far 0 92 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 2978 from aliabs.peaks (4.02, 1.94, 32.11 ppm; 4.17 A): 7 out of 18 assignments used, quality = 1.00: * HA LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-2.8 3.0=100 HA LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HA SER 60 + HB2 PRO 58 OK 74 82 95 95 4.7-6.7 2.8/9332=45, ~9330=34...(15) HD3 PRO 81 + HB3 PRO 81 OK 54 54 100 100 3.0-4.0 3.0=100 HA LEU 96 + HB2 LYS 95 OK 54 59 100 91 4.0-4.9 2.9/7317=29, ~7317=20...(34) HA LEU 96 + HB3 LYS 95 OK 52 60 95 91 3.9-5.7 2.9/7317=29, ~7316=20...(35) HA LEU 122 + HB3 LYS 95 OK 22 92 65 37 3.8-7.2 7310/4.6=10...(9) HB3 SER 99 - HB3 LYS 95 poor 16 65 25 - 4.4-7.5 HA LEU 122 - HB2 LYS 95 poor 13 91 40 36 4.6-7.1 7310/4.6=10...(9) HA ARG 135 - HB3 PRO 81 far 9 59 15 - 4.6-10.8 HD3 PRO 81 - HB3 LYS 86 far 0 32 0 - 5.7-9.1 HB3 SER 99 - HB2 LYS 95 far 0 64 0 - 5.8-8.2 HB3 SER 124 - HB2 LYS 95 far 0 95 0 - 6.5-9.1 HB3 SER 124 - HB3 LYS 95 far 0 96 0 - 6.8-9.5 HA LEU 119 - HB3 LYS 95 far 0 100 0 - 7.5-13.2 HB2 SER 38 - HB3 PRO 81 far 0 42 0 - 8.1-16.8 HA LEU 119 - HB2 PRO 58 far 0 93 0 - 8.9-15.3 HA LEU 119 - HB2 LYS 95 far 0 100 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 2979 from aliabs.peaks (1.94, 1.94, 32.11 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 HB2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 HB2 PRO 58 + HB2 PRO 58 OK 86 86 - 100 HB3 PRO 81 + HB3 PRO 81 OK 51 51 - 100 HB3 LYS 86 + HB3 LYS 86 OK 25 25 - 100 Reference assignment not found: HB2 LYS 95 - HB3 LYS 95 Peak 2980 from aliabs.peaks (1.94, 1.94, 32.11 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 HB2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 HB2 PRO 58 + HB2 PRO 58 OK 89 89 - 100 HB3 PRO 81 + HB3 PRO 81 OK 54 54 - 100 HB3 LYS 86 + HB3 LYS 86 OK 28 28 - 100 Peak 2981 from aliabs.peaks (1.39, 1.94, 32.11 ppm; 4.55 A): 10 out of 31 assignments used, quality = 1.00: * HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 88 98 95 94 4.3-6.1 3.8/7317=29, 3248/4.0=16...(40) HB2 LEU 96 + HB3 LYS 95 OK 56 99 60 94 4.8-7.1 3.8/7317=29, 3248/4.0=16...(41) QB ALA 109 + HB2 PRO 58 OK 34 93 40 90 2.4-15.7 10925/2.3=55...(5) HG LEU 96 + HB2 LYS 95 OK 33 97 40 85 4.0-7.3 5.0/7317=22...(25) HG LEU 96 + HB3 LYS 95 OK 29 98 35 84 4.9-8.2 5.0/7317=22...(24) HG2 LYS 86 + HB3 LYS 86 OK 20 20 100 100 2.2-3.0 3.0=100 QB ALA 110 - HB2 PRO 58 poor 18 92 20 - 2.1-17.2 QB ALA 108 - HB2 PRO 58 far 13 89 15 - 5.0-16.0 QB ALA 16 - HB2 PRO 58 far 5 93 5 - 5.1-32.3 HG2 LYS 19 - HB2 PRO 58 far 4 76 5 - 5.7-38.6 QB ALA 12 - HB2 PRO 58 far 3 51 5 - 4.6-36.0 HG2 LYS 86 - HB3 PRO 81 far 0 36 0 - 6.1-10.1 QB ALA 110 - HB3 LYS 95 far 0 99 0 - 6.4-21.9 QB ALA 29 - HB2 PRO 58 far 0 88 0 - 6.7-17.5 QB ALA 108 - HB3 LYS 95 far 0 98 0 - 7.2-19.3 HB3 LEU 100 - HB3 LYS 95 far 0 92 0 - 7.2-9.9 QB ALA 28 - HB2 PRO 58 far 0 92 0 - 7.3-22.0 HG2 LYS 24 - HB3 LYS 95 far 0 96 0 - 7.5-33.5 QB ALA 110 - HB2 LYS 95 far 0 99 0 - 7.7-22.5 QB ALA 15 - HB2 PRO 58 far 0 91 0 - 8.0-35.9 HB3 LEU 100 - HB2 LYS 95 far 0 91 0 - 8.0-10.6 QB ALA 108 - HB2 LYS 95 far 0 97 0 - 8.3-19.9 HG2 LYS 24 - HB2 LYS 95 far 0 95 0 - 8.6-33.5 HG3 LYS 26 - HB2 PRO 58 far 0 91 0 - 8.8-26.1 QB ALA 34 - HB3 PRO 81 far 0 34 0 - 9.2-18.6 HB2 LEU 42 - HB3 PRO 81 far 0 51 0 - 9.5-14.8 QB ALA 28 - HB2 LYS 95 far 0 99 0 - 9.6-21.0 Violated in 0 structures by 0.00 A. Peak 2982 from aliabs.peaks (1.39, 1.94, 32.11 ppm; 4.54 A): 9 out of 30 assignments used, quality = 1.00: * HG3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 96 + HB2 LYS 95 OK 89 99 95 94 4.3-6.1 3.8/7317=28, 3248/4.0=16...(40) HB2 LEU 96 + HB3 LYS 95 OK 56 100 60 94 4.8-7.1 3.8/7317=28, 3248/4.0=16...(41) QB ALA 109 + HB2 PRO 58 OK 34 93 40 90 2.4-15.7 10925/2.3=55...(5) HG LEU 96 + HB2 LYS 95 OK 32 95 40 85 4.0-7.3 5.0/7317=22...(25) HG LEU 96 + HB3 LYS 95 OK 28 96 35 84 4.9-8.2 5.0/7317=22...(24) QB ALA 110 - HB2 PRO 58 poor 19 93 20 - 2.1-17.2 QB ALA 108 - HB2 PRO 58 far 14 92 15 - 5.0-16.0 QB ALA 16 - HB2 PRO 58 far 5 92 5 - 5.1-32.3 HG2 LYS 19 - HB2 PRO 58 far 4 82 5 - 5.7-38.6 QB ALA 12 - HB2 PRO 58 far 3 59 5 - 4.6-36.0 HG2 LYS 86 - HB3 PRO 81 far 0 31 0 - 6.1-10.1 QB ALA 110 - HB3 LYS 95 far 0 100 0 - 6.4-21.9 QB ALA 29 - HB2 PRO 58 far 0 91 0 - 6.7-17.5 QB ALA 108 - HB3 LYS 95 far 0 99 0 - 7.2-19.3 HB3 LEU 100 - HB3 LYS 95 far 0 96 0 - 7.2-9.9 QB ALA 28 - HB2 PRO 58 far 0 93 0 - 7.3-22.0 HG2 LYS 24 - HB3 LYS 95 far 0 98 0 - 7.5-33.5 QB ALA 110 - HB2 LYS 95 far 0 100 0 - 7.7-22.5 QB ALA 15 - HB2 PRO 58 far 0 92 0 - 8.0-35.9 HB3 LEU 100 - HB2 LYS 95 far 0 95 0 - 8.0-10.6 QB ALA 108 - HB2 LYS 95 far 0 99 0 - 8.3-19.9 HG2 LYS 24 - HB2 LYS 95 far 0 97 0 - 8.6-33.5 HG3 LYS 26 - HB2 PRO 58 far 0 92 0 - 8.8-26.1 QB ALA 34 - HB3 PRO 81 far 0 30 0 - 9.2-18.6 HB2 LEU 42 - HB3 PRO 81 far 0 54 0 - 9.5-14.8 QB ALA 28 - HB2 LYS 95 far 0 100 0 - 9.6-21.0 Violated in 0 structures by 0.00 A. Peak 2983 from aliabs.peaks (1.65, 1.94, 32.11 ppm; 4.23 A): 7 out of 32 assignments used, quality = 1.00: * HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 99 99 100 100 1.9-3.7 3.7=100 HD3 LYS 86 + HB3 LYS 86 OK 36 36 100 100 2.5-4.0 3.5=100 HD2 LYS 86 + HB3 LYS 86 OK 36 36 100 100 2.0-4.0 3.5=100 HB2 LEU 98 + HB3 LYS 95 OK 29 99 30 100 5.1-7.4 3158/3.0=67, ~2963=43...(25) HD2 LYS 39 - HB3 PRO 81 poor 7 36 20 - 5.2-12.1 HD3 LYS 24 - HB3 LYS 95 far 5 100 5 - 5.1-34.1 HD2 LYS 24 - HB3 LYS 95 far 5 99 5 - 5.6-35.2 HD2 LYS 19 - HB2 PRO 58 far 5 92 5 - 5.6-37.7 HG2 ARG 84 - HB3 LYS 86 far 1 28 5 - 5.5-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 61 0 - 5.8-10.6 HD3 LYS 26 - HB2 PRO 58 far 0 90 0 - 5.9-27.5 HG3 ARG 84 - HB3 LYS 86 far 0 30 0 - 6.1-9.4 HD3 LYS 24 - HB2 LYS 95 far 0 100 0 - 6.2-33.9 HD2 LYS 24 - HB2 LYS 95 far 0 98 0 - 6.2-35.0 QB ALA 88 - HB3 LYS 86 far 0 34 0 - 6.3-6.9 HB2 LEU 98 - HB2 LYS 95 far 0 98 0 - 6.4-8.0 HD2 LYS 86 - HB3 PRO 81 far 0 61 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 52 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 48 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 92 0 - 7.0-28.1 HD3 LYS 19 - HB2 PRO 58 far 0 92 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 89 0 - 7.4-9.0 QB ALA 88 - HB2 LYS 95 far 0 97 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 57 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 55 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 100 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 98 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 91 0 - 9.1-32.1 HB2 LEU 123 - HB2 LYS 95 far 0 99 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2984 from aliabs.peaks (1.66, 1.94, 32.11 ppm; 4.23 A): 7 out of 32 assignments used, quality = 1.00: * HD3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 99 99 100 100 2.0-4.2 3.7=100 HD2 LYS 86 + HB3 LYS 86 OK 36 36 100 100 2.0-4.0 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 35 35 100 100 2.5-4.0 3.5=100 HB2 LEU 98 + HB3 LYS 95 OK 28 95 30 99 5.1-7.4 3158/3.0=62, ~2963=43...(25) HD2 LYS 39 - HB3 PRO 81 poor 9 44 20 - 5.2-12.1 HD2 LYS 24 - HB3 LYS 95 far 5 100 5 - 5.6-35.2 HD3 LYS 24 - HB3 LYS 95 far 5 99 5 - 5.1-34.1 HD2 LYS 19 - HB2 PRO 58 far 4 89 5 - 5.6-37.7 HG2 ARG 84 - HB3 LYS 86 far 1 23 5 - 5.5-9.6 HD3 LYS 86 - HB3 PRO 81 far 0 59 0 - 5.8-10.6 HD3 LYS 26 - HB2 PRO 58 far 0 93 0 - 5.9-27.5 HG3 ARG 84 - HB3 LYS 86 far 0 26 0 - 6.1-9.4 HD3 LYS 24 - HB2 LYS 95 far 0 99 0 - 6.2-33.9 HD2 LYS 24 - HB2 LYS 95 far 0 100 0 - 6.2-35.0 QB ALA 88 - HB3 LYS 86 far 0 36 0 - 6.3-6.9 HB2 LEU 98 - HB2 LYS 95 far 0 94 0 - 6.4-8.0 HD2 LYS 86 - HB3 PRO 81 far 0 60 0 - 6.4-10.7 HG3 ARG 84 - HB3 PRO 81 far 0 45 0 - 6.5-12.4 HG2 ARG 84 - HB3 PRO 81 far 0 41 0 - 6.7-12.8 HD2 LYS 26 - HB2 PRO 58 far 0 93 0 - 7.0-28.1 HD3 LYS 19 - HB2 PRO 58 far 0 87 0 - 7.2-37.4 HG LEU 62 - HB2 PRO 58 far 0 83 0 - 7.4-9.0 QB ALA 88 - HB2 LYS 95 far 0 99 0 - 8.0-9.9 QB ALA 88 - HB3 PRO 81 far 0 60 0 - 8.2-11.0 HG LEU 43 - HB3 PRO 81 far 0 49 0 - 8.3-15.5 HB2 LEU 123 - HB3 LYS 95 far 0 97 0 - 8.7-12.5 QB ALA 88 - HB3 LYS 95 far 0 100 0 - 8.9-10.4 HD2 LYS 24 - HB2 PRO 58 far 0 93 0 - 9.1-32.1 HB2 LEU 123 - HB2 LYS 95 far 0 97 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2985 from aliabs.peaks (2.87, 1.94, 32.11 ppm; 5.33 A): 5 out of 6 assignments used, quality = 1.00: * HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 84 92 95 96 4.8-6.9 6718/4.3=78, 4.5/9332=54...(8) HB2 ASN 116 - HB2 PRO 58 far 0 72 0 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 2986 from aliabs.peaks (2.87, 1.94, 32.11 ppm; 5.33 A): 5 out of 6 assignments used, quality = 1.00: * HE3 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=100 HB3 ASN 59 + HB2 PRO 58 OK 84 92 95 96 4.8-6.9 6718/4.3=78, 4.5/9332=54...(8) HB2 ASN 116 - HB2 PRO 58 far 0 76 0 - 7.6-18.9 Violated in 0 structures by 0.00 A. Peak 2987 from aliabs.peaks (8.28, 1.94, 32.11 ppm; 4.78 A): 6 out of 13 assignments used, quality = 1.00: * H LEU 96 + HB3 LYS 95 OK 100 100 100 100 3.1-4.4 4.6=100 H LEU 96 + HB2 LYS 95 OK 100 100 100 100 2.5-4.0 4.6=100 H SER 99 + HB3 LYS 95 OK 75 90 100 83 4.4-6.2 2960/3.0=34...(20) H SER 99 + HB2 LYS 95 OK 53 89 75 78 5.5-6.7 2960/3.0=34, ~11341=14...(18) H VAL 126 + HB2 LYS 95 OK 21 99 30 70 5.2-8.2 3.6/11650=29...(10) H VAL 126 + HB3 LYS 95 OK 20 100 30 67 6.0-8.3 4.7/11652=26...(10) H ARG 23 - HB2 PRO 58 far 0 83 0 - 6.5-31.3 H LEU 123 - HB3 LYS 95 far 0 99 0 - 6.6-10.3 H LEU 123 - HB2 LYS 95 far 0 98 0 - 7.8-9.9 H GLU 30 - HB2 PRO 58 far 0 90 0 - 7.9-25.1 H GLU 40 - HB3 PRO 81 far 0 54 0 - 8.0-14.9 H LEU 43 - HB3 PRO 81 far 0 54 0 - 9.8-16.6 H ALA 29 - HB2 PRO 58 far 0 56 0 - 9.9-22.5 Violated in 0 structures by 0.00 A. Peak 2989 from aliabs.peaks (4.02, 1.39, 25.38 ppm; 4.42 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.2-3.6 3.9=100 HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.1 3.9=100 HA LEU 96 - HG2 LYS 95 far 6 60 10 - 4.9-6.7 HA LEU 96 - HG3 LYS 95 far 6 59 10 - 3.9-6.6 HA LEU 122 - HG3 LYS 95 far 5 91 5 - 5.3-9.0 HB3 SER 99 - HG3 LYS 95 far 3 64 5 - 5.4-9.1 HA LEU 122 - HG2 LYS 95 far 0 92 0 - 6.0-9.0 HB3 SER 99 - HG2 LYS 95 far 0 65 0 - 6.5-9.5 HB3 SER 124 - HG3 LYS 95 far 0 95 0 - 7.7-10.9 HB3 SER 124 - HG2 LYS 95 far 0 96 0 - 8.0-10.3 HA LEU 119 - HG2 LYS 95 far 0 100 0 - 8.8-14.6 HA LEU 119 - HG3 LYS 95 far 0 100 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 2990 from aliabs.peaks (1.94, 1.39, 25.38 ppm; 4.59 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 - HG3 LYS 95 far 0 62 0 - 7.8-30.0 HB2 ARG 90 - HG2 LYS 95 far 0 73 0 - 7.8-12.1 HB3 ARG 90 - HG2 LYS 95 far 0 93 0 - 8.0-11.6 HB3 ARG 90 - HG3 LYS 95 far 0 92 0 - 9.4-12.2 HB2 GLN 27 - HG2 LYS 95 far 0 63 0 - 9.4-28.8 HB2 ARG 90 - HG3 LYS 95 far 0 72 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 2991 from aliabs.peaks (1.94, 1.39, 25.38 ppm; 4.59 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 - HG3 LYS 95 far 0 70 0 - 7.8-30.0 HB2 ARG 90 - HG2 LYS 95 far 0 65 0 - 7.8-12.1 HB3 ARG 90 - HG2 LYS 95 far 0 97 0 - 8.0-11.6 HB3 ARG 90 - HG3 LYS 95 far 0 96 0 - 9.4-12.2 HB2 GLN 27 - HG2 LYS 95 far 0 71 0 - 9.4-28.8 HB2 ARG 90 - HG3 LYS 95 far 0 64 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 2992 from aliabs.peaks (1.39, 1.39, 25.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 HG3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 Peak 2993 from aliabs.peaks (1.39, 1.39, 25.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 HG3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 Reference assignment not found: HG3 LYS 95 - HG2 LYS 95 Peak 2994 from aliabs.peaks (1.65, 1.39, 25.38 ppm; 3.99 A): 5 out of 12 assignments used, quality = 1.00: * HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 39 98 50 79 4.6-8.6 3158/3.9=49, ~11442=8...(17) HD3 LYS 24 - HG2 LYS 95 far 5 100 5 - 4.1-36.2 HD3 LYS 24 - HG3 LYS 95 far 5 100 5 - 3.7-36.4 HD2 LYS 24 - HG2 LYS 95 far 5 99 5 - 4.4-37.2 HD2 LYS 24 - HG3 LYS 95 far 5 98 5 - 3.4-37.4 HB2 LEU 98 - HG2 LYS 95 far 0 99 0 - 6.1-8.3 QB ALA 88 - HG2 LYS 95 far 0 98 0 - 7.7-9.9 QB ALA 88 - HG3 LYS 95 far 0 97 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 2995 from aliabs.peaks (1.66, 1.39, 25.38 ppm; 4.00 A): 5 out of 12 assignments used, quality = 1.00: * HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 99 99 100 100 2.3-2.9 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 40 94 55 78 4.6-8.6 3158/3.9=45, ~11442=8...(17) HD2 LYS 24 - HG2 LYS 95 far 5 100 5 - 4.4-37.2 HD2 LYS 24 - HG3 LYS 95 far 5 100 5 - 3.4-37.4 HD3 LYS 24 - HG2 LYS 95 far 5 99 5 - 4.1-36.2 HD3 LYS 24 - HG3 LYS 95 far 5 99 5 - 3.7-36.4 HB2 LEU 98 - HG2 LYS 95 far 0 95 0 - 6.1-8.3 QB ALA 88 - HG2 LYS 95 far 0 100 0 - 7.7-9.9 QB ALA 88 - HG3 LYS 95 far 0 99 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 2996 from aliabs.peaks (2.87, 1.39, 25.38 ppm; 5.08 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 2997 from aliabs.peaks (2.87, 1.39, 25.38 ppm; 5.08 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 3000 from aliabs.peaks (4.02, 1.39, 25.38 ppm; 4.16 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.1 3.9=100 HA LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.2-3.6 3.9=100 HA LEU 96 - HG2 LYS 95 far 6 59 10 - 4.9-6.7 HA LEU 122 - HG3 LYS 95 far 5 92 5 - 5.3-9.0 HB3 SER 99 - HG3 LYS 95 far 3 65 5 - 5.4-9.1 HA LEU 96 - HG3 LYS 95 far 3 60 5 - 3.9-6.6 HA LEU 122 - HG2 LYS 95 far 0 91 0 - 6.0-9.0 HB3 SER 99 - HG2 LYS 95 far 0 64 0 - 6.5-9.5 HB3 SER 124 - HG3 LYS 95 far 0 96 0 - 7.7-10.9 HB3 SER 124 - HG2 LYS 95 far 0 95 0 - 8.0-10.3 HA LEU 119 - HG2 LYS 95 far 0 100 0 - 8.8-14.6 HA LEU 119 - HG3 LYS 95 far 0 100 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 3001 from aliabs.peaks (1.94, 1.39, 25.38 ppm; 4.45 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 27 - HG3 LYS 95 far 0 63 0 - 7.8-30.0 HB2 ARG 90 - HG2 LYS 95 far 0 72 0 - 7.8-12.1 HB3 ARG 90 - HG2 LYS 95 far 0 92 0 - 8.0-11.6 HB3 ARG 90 - HG3 LYS 95 far 0 93 0 - 9.4-12.2 HB2 GLN 27 - HG2 LYS 95 far 0 62 0 - 9.4-28.8 HB2 ARG 90 - HG3 LYS 95 far 0 73 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3002 from aliabs.peaks (1.94, 1.39, 25.38 ppm; 4.45 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 27 - HG3 LYS 95 far 0 71 0 - 7.8-30.0 HB2 ARG 90 - HG2 LYS 95 far 0 64 0 - 7.8-12.1 HB3 ARG 90 - HG2 LYS 95 far 0 96 0 - 8.0-11.6 HB3 ARG 90 - HG3 LYS 95 far 0 97 0 - 9.4-12.2 HB2 GLN 27 - HG2 LYS 95 far 0 70 0 - 9.4-28.8 HB2 ARG 90 - HG3 LYS 95 far 0 65 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3003 from aliabs.peaks (1.39, 1.39, 25.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 HG2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 Reference assignment not found: HG2 LYS 95 - HG3 LYS 95 Peak 3004 from aliabs.peaks (1.39, 1.39, 25.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 HG2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 Peak 3005 from aliabs.peaks (1.65, 1.39, 25.38 ppm; 3.94 A): 5 out of 12 assignments used, quality = 1.00: * HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 35 99 45 78 4.6-8.6 3158/3.9=47, ~11442=8...(17) HD3 LYS 24 - HG3 LYS 95 far 5 100 5 - 3.7-36.4 HD3 LYS 24 - HG2 LYS 95 far 5 100 5 - 4.1-36.2 HD2 LYS 24 - HG3 LYS 95 far 5 99 5 - 3.4-37.4 HD2 LYS 24 - HG2 LYS 95 far 5 98 5 - 4.4-37.2 HB2 LEU 98 - HG2 LYS 95 far 0 98 0 - 6.1-8.3 QB ALA 88 - HG2 LYS 95 far 0 97 0 - 7.7-9.9 QB ALA 88 - HG3 LYS 95 far 0 98 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 3006 from aliabs.peaks (1.66, 1.39, 25.38 ppm; 3.94 A): 5 out of 12 assignments used, quality = 1.00: * HD3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HD2 LYS 95 + HG2 LYS 95 OK 99 99 100 100 2.2-2.9 2.9=100 HB2 LEU 98 + HG3 LYS 95 OK 33 95 45 77 4.6-8.6 3158/3.9=44, ~11442=8...(17) HD2 LYS 24 - HG3 LYS 95 far 5 100 5 - 3.4-37.4 HD2 LYS 24 - HG2 LYS 95 far 5 100 5 - 4.4-37.2 HD3 LYS 24 - HG3 LYS 95 far 5 99 5 - 3.7-36.4 HD3 LYS 24 - HG2 LYS 95 far 5 99 5 - 4.1-36.2 HB2 LEU 98 - HG2 LYS 95 far 0 94 0 - 6.1-8.3 QB ALA 88 - HG2 LYS 95 far 0 99 0 - 7.7-9.9 QB ALA 88 - HG3 LYS 95 far 0 100 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 3007 from aliabs.peaks (2.87, 1.39, 25.38 ppm; 4.80 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 3008 from aliabs.peaks (2.87, 1.39, 25.38 ppm; 4.80 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 3011 from aliabs.peaks (4.02, 1.65, 28.97 ppm; 4.03 A): 4 out of 67 assignments used, quality = 1.00: * HA LYS 95 + HD2 LYS 95 OK 99 100 100 99 3.1-5.5 5.0=52, 2.9/7303=30...(30) HA LYS 95 + HD3 LYS 95 OK 98 99 100 99 1.9-4.9 5.0=52, 2.9/7303=30...(33) HA ILE 37 + HD3 LYS 36 OK 40 82 50 98 2.4-7.8 1113/10918=32...(27) HA ILE 37 + HD2 LYS 36 OK 31 80 40 98 3.1-7.6 1089/10818=32, ~6406=27...(27) HA GLN 68 - HD3 LYS 36 poor 12 58 20 - 3.3-11.9 HA GLN 68 - HD2 LYS 36 far 8 56 15 - 4.1-10.9 HA LYS 95 - HD3 LYS 24 far 4 88 5 - 4.2-34.8 HA GLU 44 - HD2 LYS 31 far 4 87 5 - 5.3-24.8 HA GLU 44 - HD2 LYS 26 far 4 84 5 - 5.3-30.8 HA SER 60 - HD3 LYS 26 far 4 83 5 - 5.5-23.9 HA LYS 95 - HD2 LYS 24 far 4 83 5 - 4.1-35.8 HA GLU 44 - HD3 LYS 26 far 4 80 5 - 5.2-30.5 HA GLN 68 - HD2 LYS 31 far 4 77 5 - 4.6-14.1 HA GLN 68 - HD3 LYS 31 far 4 75 5 - 5.4-14.2 HA GLU 102 - HD2 LYS 26 far 3 69 5 - 5.5-29.0 HA GLU 102 - HD3 LYS 26 far 3 65 5 - 4.4-30.5 HB2 SER 38 - HD3 LYS 36 far 0 60 0 - 5.8-12.4 HA SER 60 - HD2 LYS 26 far 0 88 0 - 6.0-24.7 HA LEU 96 - HD3 LYS 95 far 0 57 0 - 6.1-7.9 HA LEU 96 - HD2 LYS 95 far 0 60 0 - 6.1-7.9 HA GLU 44 - HD2 LYS 19 far 0 59 0 - 6.2-38.7 HA GLU 44 - HD3 LYS 31 far 0 85 0 - 6.4-23.3 HB3 SER 99 - HD3 LYS 24 far 0 52 0 - 6.4-33.5 HA LEU 122 - HD2 LYS 95 far 0 92 0 - 6.5-10.6 HB3 SER 99 - HD3 LYS 95 far 0 63 0 - 6.6-9.9 HA GLU 44 - HD3 LYS 36 far 0 67 0 - 6.7-16.4 HB2 SER 38 - HD2 LYS 36 far 0 58 0 - 7.1-11.9 HA GLU 44 - HD2 LYS 36 far 0 66 0 - 7.1-15.8 HA LEU 122 - HD3 LYS 95 far 0 89 0 - 7.2-9.5 HA GLN 68 - HD2 LYS 26 far 0 74 0 - 7.2-21.5 HA SER 50 - HD2 LYS 26 far 0 59 0 - 7.2-26.5 HA LEU 103 - HD3 LYS 26 far 0 90 0 - 7.3-27.8 HB3 SER 99 - HD2 LYS 95 far 0 65 0 - 7.4-10.6 HB2 SER 38 - HD3 LYS 24 far 0 65 0 - 7.5-27.6 HB3 SER 99 - HD2 LYS 24 far 0 47 0 - 7.5-34.5 HB2 SER 38 - HD2 LYS 24 far 0 60 0 - 7.7-29.2 HA ILE 37 - HD3 LYS 26 far 0 94 0 - 7.8-26.7 HA LEU 122 - HD3 LYS 24 far 0 76 0 - 7.8-31.5 HB3 SER 124 - HD2 LYS 95 far 0 96 0 - 7.9-12.4 HA LEU 119 - HD3 LYS 24 far 0 88 0 - 7.9-31.2 HA LEU 96 - HD3 LYS 24 far 0 47 0 - 7.9-31.1 HA GLU 44 - HD3 LYS 19 far 0 57 0 - 7.9-40.1 HA GLU 44 - HD2 LYS 24 far 0 67 0 - 7.9-31.0 HA SER 60 - HD2 LYS 31 far 0 90 0 - 8.0-23.5 HA ILE 37 - HD2 LYS 24 far 0 82 0 - 8.1-26.1 HA GLU 44 - HD3 LYS 24 far 0 73 0 - 8.1-29.5 HA GLN 68 - HD2 LYS 24 far 0 58 0 - 8.1-23.3 HA ILE 37 - HD3 LYS 31 far 0 98 0 - 8.2-17.2 HA SER 60 - HD3 LYS 19 far 0 60 0 - 8.2-34.7 HA SER 60 - HD3 LYS 24 far 0 76 0 - 8.4-29.3 HA LEU 96 - HD2 LYS 24 far 0 43 0 - 8.5-32.1 HA SER 50 - HD3 LYS 26 far 0 55 0 - 8.5-26.5 HA LEU 122 - HD2 LYS 24 far 0 71 0 - 8.6-32.5 HA GLN 68 - HD3 LYS 26 far 0 69 0 - 8.6-20.7 HB2 SER 38 - HD2 LYS 26 far 0 76 0 - 8.8-29.3 HA SER 60 - HD2 LYS 24 far 0 71 0 - 8.9-30.3 HA ILE 37 - HD2 LYS 26 far 0 97 0 - 8.9-27.3 HA LEU 103 - HD2 LYS 26 far 0 94 0 - 9.0-28.6 HA ILE 37 - HD2 LYS 31 far 0 99 0 - 9.0-17.0 HA SER 60 - HD2 LYS 19 far 0 63 0 - 9.0-36.2 HA SER 60 - HD3 LYS 31 far 0 89 0 - 9.0-23.1 HB3 SER 124 - HD3 LYS 95 far 0 93 0 - 9.2-11.9 HB2 SER 38 - HD2 LYS 19 far 0 53 0 - 9.4-39.4 HA GLN 68 - HD3 LYS 24 far 0 63 0 - 9.4-22.6 HA ILE 37 - HD3 LYS 24 far 0 87 0 - 9.4-25.4 HA LEU 119 - HD2 LYS 24 far 0 82 0 - 9.4-31.9 HB2 SER 38 - HD3 LYS 19 far 0 51 0 - 9.6-38.8 Violated in 0 structures by 0.00 A. Peak 3012 from aliabs.peaks (1.94, 1.65, 28.97 ppm; 4.22 A): 5 out of 50 assignments used, quality = 1.00: * HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 1.9-3.7 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.8-3.8 3.7=100 HB2 GLU 30 + HD3 LYS 31 OK 30 99 45 69 3.3-8.5 6326/6.2=20, 2810/3.5=12...(16) HB2 GLU 30 - HD2 LYS 31 poor 18 100 25 71 3.2-9.0 6326/6.2=20, 2810/3.5=12...(18) HB2 GLN 27 - HD2 LYS 31 far 9 61 15 - 4.4-12.3 HB2 GLN 27 - HD3 LYS 24 far 5 49 10 - 3.0-14.8 HB2 GLN 27 - HD2 LYS 24 far 5 45 10 - 3.5-14.4 HB3 LYS 95 - HD3 LYS 24 far 4 88 5 - 5.1-34.1 HB2 GLU 30 - HD2 LYS 24 far 4 82 5 - 5.3-18.0 HB3 LYS 95 - HD2 LYS 24 far 4 82 5 - 5.6-35.2 HB2 GLU 30 - HD2 LYS 19 far 4 74 5 - 3.5-25.5 HB2 GLU 30 - HD3 LYS 19 far 4 72 5 - 1.9-26.2 HB2 PRO 58 - HD2 LYS 19 far 3 67 5 - 5.6-37.7 HB2 GLN 27 - HD3 LYS 31 far 3 60 5 - 3.7-11.9 HB2 GLN 27 - HD2 LYS 26 far 3 59 5 - 4.7-9.0 HB2 GLN 27 - HD3 LYS 26 far 3 55 5 - 5.1-8.4 HB2 MET 11 - HD3 LYS 19 far 3 54 5 - 4.6-23.0 HB2 GLN 27 - HD2 LYS 19 far 0 39 0 - 5.8-23.5 HB2 MET 11 - HD2 LYS 19 far 0 56 0 - 5.9-22.9 HB2 PRO 58 - HD3 LYS 26 far 0 87 0 - 5.9-27.5 HB2 GLN 27 - HD3 LYS 36 far 0 45 0 - 5.9-17.8 HB2 GLN 27 - HD3 LYS 19 far 0 38 0 - 6.1-24.8 HB2 LYS 95 - HD3 LYS 24 far 0 88 0 - 6.2-33.9 HB2 GLU 30 - HD3 LYS 26 far 0 94 0 - 6.2-13.9 HB2 LYS 95 - HD2 LYS 24 far 0 83 0 - 6.2-35.0 HB2 GLU 30 - HD2 LYS 26 far 0 98 0 - 6.3-13.3 HB2 GLU 30 - HD3 LYS 24 far 0 88 0 - 6.9-17.0 HB2 PRO 58 - HD2 LYS 26 far 0 92 0 - 7.0-28.1 HB2 PRO 58 - HD3 LYS 19 far 0 64 0 - 7.2-37.4 HB3 ARG 90 - HD3 LYS 95 far 0 91 0 - 7.5-10.4 HB2 MET 11 - HD3 LYS 24 far 0 69 0 - 7.5-25.2 HB2 GLN 27 - HD2 LYS 36 far 0 44 0 - 7.5-17.2 HB3 LEU 49 - HD2 LYS 36 far 0 56 0 - 7.6-18.0 HB2 ARG 90 - HD3 LYS 95 far 0 70 0 - 7.6-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 93 0 - 7.7-11.3 HB2 GLU 30 - HD3 LYS 36 far 0 82 0 - 8.0-14.0 HB2 MET 11 - HD2 LYS 24 far 0 64 0 - 8.2-24.4 HB3 LEU 49 - HD3 LYS 24 far 0 63 0 - 8.3-24.9 HB3 LEU 49 - HD3 LYS 36 far 0 58 0 - 8.4-17.3 HB2 ARG 90 - HD2 LYS 95 far 0 73 0 - 8.6-11.8 HB2 GLU 30 - HD2 LYS 36 far 0 81 0 - 8.9-13.0 HB3 LEU 49 - HD2 LYS 24 far 0 58 0 - 9.1-26.1 HB2 PRO 58 - HD2 LYS 24 far 0 75 0 - 9.1-32.1 HB2 GLN 27 - HD2 LYS 95 far 0 63 0 - 9.2-30.8 HB3 LEU 49 - HD2 LYS 31 far 0 77 0 - 9.3-24.5 HG LEU 53 - HD2 LYS 26 far 0 98 0 - 9.4-25.4 HB3 LEU 49 - HD3 LYS 31 far 0 75 0 - 9.4-23.3 HB3 LEU 49 - HD2 LYS 26 far 0 74 0 - 9.6-24.5 Violated in 0 structures by 0.00 A. Peak 3013 from aliabs.peaks (1.94, 1.65, 28.97 ppm; 4.21 A): 5 out of 57 assignments used, quality = 1.00: * HB3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 3.3-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.0-4.2 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.8-3.8 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 1.9-3.7 3.7=100 HB2 GLU 30 + HD3 LYS 31 OK 31 99 45 69 3.3-8.5 6326/6.2=20, 2810/3.5=12...(16) HB2 GLU 30 - HD2 LYS 31 poor 18 100 25 71 3.2-9.0 6326/6.2=20, 2810/3.5=12...(18) HB2 GLN 27 - HD2 LYS 31 far 10 69 15 - 4.4-12.3 HB ILE 37 - HD2 LYS 36 poor 8 42 20 - 5.0-8.4 HB ILE 37 - HD3 LYS 36 far 6 43 15 - 4.4-9.1 HB2 GLN 27 - HD3 LYS 24 far 6 56 10 - 3.0-14.8 HB2 GLN 27 - HD2 LYS 24 far 5 51 10 - 3.5-14.4 HB3 LYS 95 - HD3 LYS 24 far 4 88 5 - 5.1-34.1 HB2 GLU 30 - HD2 LYS 24 far 4 82 5 - 5.3-18.0 HB3 LYS 95 - HD2 LYS 24 far 4 83 5 - 5.6-35.2 HB2 GLU 30 - HD2 LYS 19 far 4 74 5 - 3.5-25.5 HB2 GLU 30 - HD3 LYS 19 far 4 72 5 - 1.9-26.2 HB2 PRO 58 - HD2 LYS 19 far 3 70 5 - 5.6-37.7 HB2 GLN 27 - HD3 LYS 31 far 3 68 5 - 3.7-11.9 HB2 GLN 27 - HD2 LYS 26 far 3 67 5 - 4.7-9.0 HB2 GLN 27 - HD3 LYS 26 far 3 62 5 - 5.1-8.4 HB2 MET 11 - HD3 LYS 19 far 2 49 5 - 4.6-23.0 HB2 GLN 27 - HD2 LYS 19 far 0 45 0 - 5.8-23.5 HB2 MET 11 - HD2 LYS 19 far 0 51 0 - 5.9-22.9 HB2 PRO 58 - HD3 LYS 26 far 0 91 0 - 5.9-27.5 HB2 GLN 27 - HD3 LYS 36 far 0 51 0 - 5.9-17.8 HB2 GLN 27 - HD3 LYS 19 far 0 43 0 - 6.1-24.8 HB2 LYS 95 - HD3 LYS 24 far 0 88 0 - 6.2-33.9 HB2 GLU 30 - HD3 LYS 26 far 0 94 0 - 6.2-13.9 HB2 LYS 95 - HD2 LYS 24 far 0 82 0 - 6.2-35.0 HB2 GLU 30 - HD2 LYS 26 far 0 98 0 - 6.3-13.3 HB2 GLU 30 - HD3 LYS 24 far 0 88 0 - 6.9-17.0 HB2 PRO 58 - HD2 LYS 26 far 0 95 0 - 7.0-28.1 HB2 PRO 58 - HD3 LYS 19 far 0 68 0 - 7.2-37.4 HB3 ARG 90 - HD3 LYS 95 far 0 94 0 - 7.5-10.4 HB2 MET 11 - HD3 LYS 24 far 0 63 0 - 7.5-25.2 HB2 GLN 27 - HD2 LYS 36 far 0 50 0 - 7.5-17.2 HB3 LEU 49 - HD2 LYS 36 far 0 50 0 - 7.6-18.0 HB2 ARG 90 - HD3 LYS 95 far 0 63 0 - 7.6-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 97 0 - 7.7-11.3 HB2 GLU 30 - HD3 LYS 36 far 0 82 0 - 8.0-14.0 HB2 MET 11 - HD2 LYS 24 far 0 58 0 - 8.2-24.4 HB3 LEU 49 - HD3 LYS 24 far 0 56 0 - 8.3-24.9 HB3 LEU 49 - HD3 LYS 36 far 0 51 0 - 8.4-17.3 HB ILE 37 - HD3 LYS 26 far 0 52 0 - 8.5-26.2 HB2 ARG 90 - HD2 LYS 95 far 0 65 0 - 8.6-11.8 HB2 GLU 30 - HD2 LYS 36 far 0 81 0 - 8.9-13.0 HB3 LEU 49 - HD2 LYS 24 far 0 51 0 - 9.1-26.1 HB2 PRO 58 - HD2 LYS 24 far 0 78 0 - 9.1-32.1 HB2 GLN 27 - HD2 LYS 95 far 0 71 0 - 9.2-30.8 HB3 LEU 49 - HD2 LYS 31 far 0 69 0 - 9.3-24.5 HB ILE 37 - HD2 LYS 19 far 0 37 0 - 9.3-34.3 HG LEU 53 - HD2 LYS 26 far 0 97 0 - 9.4-25.4 HB ILE 37 - HD2 LYS 26 far 0 56 0 - 9.4-25.6 HB3 LEU 49 - HD3 LYS 31 far 0 68 0 - 9.4-23.3 HB ILE 37 - HD3 LYS 19 far 0 36 0 - 9.5-34.6 HB3 LEU 49 - HD2 LYS 26 far 0 67 0 - 9.6-24.5 HB ILE 37 - HD3 LYS 24 far 0 47 0 - 9.7-26.4 Violated in 0 structures by 0.00 A. Peak 3014 from aliabs.peaks (1.39, 1.65, 28.97 ppm; 4.91 A): 22 out of 148 assignments used, quality = 1.00: * HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 98 98 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 96 96 100 100 2.2-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 92 92 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 81 81 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 79 79 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 77 77 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 75 75 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 58 58 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 56 56 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 42 94 45 99 3.0-16.8 834/3.5=6, 5.0/6336=5...(214) HG3 LYS 31 + HD2 LYS 26 OK 34 98 35 99 4.8-17.0 834/3.5=6, 835/3.5=5...(223) QB ALA 28 + HD3 LYS 31 OK 26 98 45 59 2.9-9.7 6304/10771=26, ~10771=24...(9) HG2 LYS 19 + HD3 LYS 24 OK 26 71 40 90 2.7-16.9 3.0/2632=3, ~823=3...(110) HG3 LYS 26 + HD2 LYS 31 OK 24 98 25 99 3.6-15.7 639/3.5=7, 640/3.5=6...(194) QB ALA 28 + HD2 LYS 31 OK 24 99 40 60 2.1-10.6 6304/10771=33, ~10771=20...(10) QB ALA 34 + HD2 LYS 36 OK 21 48 65 68 4.7-8.0 5.0/10775=28...(9) QB ALA 34 + HD3 LYS 36 OK 20 49 65 64 4.1-8.0 5.0/10854=22...(9) QB ALA 15 - HD2 LYS 31 poor 20 98 20 - 3.6-21.3 HG3 LYS 26 - HD3 LYS 31 poor 19 97 20 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 poor 19 97 20 - 3.8-22.6 QB ALA 29 - HD2 LYS 26 poor 19 94 20 - 4.7-11.1 HG3 LYS 26 - HD3 LYS 24 poor 17 86 20 - 3.7-11.0 HG2 LYS 24 - HD2 LYS 19 poor 17 67 25 - 3.2-16.1 HG2 LYS 19 - HD2 LYS 24 poor 16 65 25 - 3.0-17.8 QB ALA 28 - HD2 LYS 24 poor 16 82 20 - 4.4-13.3 QB ALA 12 - HD3 LYS 19 poor 16 36 45 - 2.1-15.8 HG2 LYS 24 - HD3 LYS 19 poor 16 64 25 - 2.1-17.8 QB ALA 12 - HD2 LYS 19 poor 15 37 40 - 2.2-15.1 QB ALA 28 - HD2 LYS 26 far 15 97 15 - 5.4-9.5 HB2 LEU 96 - HD3 LYS 95 far 14 97 15 - 5.9-9.0 QB ALA 15 - HD2 LYS 19 poor 14 72 20 - 3.7-12.8 QB ALA 29 - HD2 LYS 31 poor 14 96 30 49 2.5-9.8 ~10782=28, 3.7/7749=7...(10) QB ALA 29 - HD3 LYS 31 poor 14 95 30 50 3.0-9.8 ~10782=28, 3.7/7749=8...(11) QB ALA 28 - HD3 LYS 26 far 14 94 15 - 6.2-9.2 HG3 LYS 31 - HD2 LYS 36 far 12 80 15 - 4.8-13.4 QB ALA 29 - HD3 LYS 36 far 12 77 15 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 11 75 15 - 5.2-9.9 QB ALA 15 - HD3 LYS 19 far 10 69 15 - 3.8-12.9 HG LEU 96 - HD2 LYS 95 far 10 98 10 - 5.0-10.2 HG LEU 96 - HD3 LYS 95 far 10 96 10 - 5.8-9.4 QB ALA 108 - HD2 LYS 26 far 9 95 10 - 6.0-26.8 QB ALA 109 - HD3 LYS 26 far 9 94 10 - 5.1-28.1 QB ALA 29 - HD3 LYS 26 far 9 90 10 - 4.5-11.4 QB ALA 16 - HD3 LYS 24 far 9 88 10 - 5.7-16.6 QB ALA 29 - HD3 LYS 24 far 8 83 10 - 5.3-12.6 HG3 LYS 31 - HD3 LYS 36 far 8 82 10 - 4.6-13.4 HG3 LYS 26 - HD2 LYS 24 far 8 80 10 - 5.3-11.0 HG3 LYS 26 - HD3 LYS 36 far 8 80 10 - 5.9-23.8 HG3 LYS 26 - HD2 LYS 36 far 8 78 10 - 4.8-22.9 QB ALA 16 - HD2 LYS 19 far 7 74 10 - 4.8-11.3 QB ALA 28 - HD3 LYS 19 far 7 71 10 - 4.6-21.9 HB2 LEU 42 - HD3 LYS 36 far 7 71 10 - 3.8-11.6 QB ALA 12 - HD3 LYS 24 far 7 47 15 - 4.3-18.1 HB2 LEU 42 - HD2 LYS 36 far 7 69 10 - 4.0-11.4 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 5.3-24.0 HB2 LEU 96 - HD2 LYS 95 far 5 99 5 - 5.6-9.4 QB ALA 16 - HD3 LYS 31 far 5 98 5 - 6.3-25.2 QB ALA 109 - HD2 LYS 26 far 5 98 5 - 4.4-27.7 HG2 LYS 36 - HD2 LYS 31 far 5 98 5 - 6.2-13.5 QB ALA 110 - HD2 LYS 26 far 5 97 5 - 3.6-30.2 HG2 LYS 36 - HD2 LYS 26 far 5 96 5 - 5.9-25.5 QB ALA 110 - HD3 LYS 26 far 5 93 5 - 2.4-29.3 HG2 LYS 24 - HD2 LYS 26 far 5 92 5 - 5.8-11.1 HG2 LYS 36 - HD3 LYS 26 far 5 91 5 - 5.1-24.7 QB ALA 108 - HD3 LYS 26 far 5 91 5 - 4.8-26.0 HG2 LYS 95 - HD3 LYS 24 far 4 88 5 - 4.1-36.2 HG3 LYS 95 - HD3 LYS 24 far 4 88 5 - 3.7-36.4 HG3 LYS 31 - HD3 LYS 24 far 4 88 5 - 5.9-16.5 HG2 LYS 24 - HD3 LYS 26 far 4 87 5 - 5.2-11.4 QB ALA 15 - HD3 LYS 24 far 4 86 5 - 3.5-17.1 QB ALA 12 - HD2 LYS 24 far 4 43 10 - 5.6-18.4 QB ALA 108 - HD3 LYS 24 far 4 84 5 - 4.5-33.1 HG2 LYS 95 - HD2 LYS 24 far 4 83 5 - 4.4-37.2 HG3 LYS 95 - HD2 LYS 24 far 4 82 5 - 3.4-37.4 QB ALA 16 - HD2 LYS 24 far 4 82 5 - 4.9-17.1 HG3 LYS 31 - HD2 LYS 24 far 4 82 5 - 6.0-16.9 QB ALA 15 - HD2 LYS 24 far 4 80 5 - 4.1-17.3 QB ALA 108 - HD2 LYS 24 far 4 78 5 - 5.1-33.9 QB ALA 29 - HD2 LYS 24 far 4 77 5 - 5.3-13.3 HG3 LYS 31 - HD2 LYS 19 far 4 74 5 - 4.6-25.3 QB ALA 28 - HD2 LYS 19 far 4 73 5 - 5.9-21.1 HG2 LYS 24 - HD2 LYS 36 far 4 73 5 - 5.3-25.5 HG3 LYS 31 - HD3 LYS 19 far 4 71 5 - 4.1-26.6 QB ALA 16 - HD3 LYS 19 far 4 71 5 - 5.4-11.1 QB ALA 34 - HD2 LYS 26 far 3 64 5 - 4.9-20.3 QB ALA 34 - HD3 LYS 26 far 3 60 5 - 6.2-20.6 QB ALA 28 - HD3 LYS 24 lone 2 87 25 7 4.8-12.7 11150/11832=2...(3) QB ALA 12 - HD3 LYS 31 far 0 57 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 75 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 72 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 59 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 96 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 82 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 79 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 72 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 85 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 93 0 - 7.0-17.3 QB ALA 34 - HD2 LYS 24 far 0 49 0 - 7.0-21.4 HG2 LYS 24 - HD2 LYS 31 far 0 94 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 67 0 - 7.0-21.3 QB ALA 34 - HD3 LYS 24 far 0 54 0 - 7.1-22.6 QB ALA 109 - HD2 LYS 19 far 0 74 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 96 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 96 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 80 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 84 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 92 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 80 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 69 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 97 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 98 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 70 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 78 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 98 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 88 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 85 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 78 0 - 8.2-25.1 QB ALA 34 - HD3 LYS 31 far 0 65 0 - 8.2-12.5 QB ALA 108 - HD3 LYS 31 far 0 96 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 93 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 82 0 - 8.2-14.4 QB ALA 34 - HD2 LYS 31 far 0 67 0 - 8.3-12.7 QB ALA 109 - HD2 LYS 24 far 0 82 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 80 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 82 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 99 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 98 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 94 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 96 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 68 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 70 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 69 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 100 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 72 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 99 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 71 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 42 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 65 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 83 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 43 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 89 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 92 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 85 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 3015 from aliabs.peaks (1.39, 1.65, 28.97 ppm; 4.89 A): 20 out of 148 assignments used, quality = 1.00: * HG3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-2.9 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.5-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 97 97 100 100 2.2-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 94 94 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HD3 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD3 LYS 36 OK 81 81 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 79 79 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 78 78 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 63 63 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 60 60 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 42 94 45 99 3.0-16.8 834/3.5=6, 5.0/6336=5...(213) HG3 LYS 31 + HD2 LYS 26 OK 34 98 35 99 4.8-17.0 834/3.5=6, 835/3.5=5...(222) HG2 LYS 19 + HD3 LYS 24 OK 27 76 40 90 2.7-16.9 3.0/2632=3, ~823=3...(110) QB ALA 28 + HD3 LYS 31 OK 26 99 45 58 2.9-9.7 6304/10771=26, ~10771=24...(9) HG3 LYS 26 + HD2 LYS 31 OK 24 99 25 99 3.6-15.7 639/3.5=7, 640/3.5=6...(194) QB ALA 28 + HD2 LYS 31 OK 24 100 40 60 2.1-10.6 6304/10771=32, ~10771=20...(10) QB ALA 15 - HD2 LYS 31 poor 20 99 20 - 3.6-21.3 HG3 LYS 26 - HD3 LYS 31 poor 20 98 20 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 poor 20 98 20 - 3.8-22.6 QB ALA 29 - HD2 LYS 26 poor 19 96 20 - 4.7-11.1 QB ALA 12 - HD3 LYS 19 poor 19 41 45 - 2.1-15.8 QB ALA 34 - HD2 LYS 36 poor 18 42 65 66 4.7-8.0 5.0/10775=28...(9) HG2 LYS 19 - HD2 LYS 24 poor 18 71 25 - 3.0-17.8 HG3 LYS 26 - HD3 LYS 24 poor 17 87 20 - 3.7-11.0 HG2 LYS 24 - HD2 LYS 19 poor 17 70 25 - 3.2-16.1 QB ALA 12 - HD2 LYS 19 poor 17 43 40 - 2.2-15.1 HG2 LYS 24 - HD3 LYS 19 poor 17 68 25 - 2.1-17.8 QB ALA 28 - HD2 LYS 24 poor 16 82 20 - 4.4-13.3 QB ALA 34 - HD3 LYS 36 poor 16 43 60 62 4.1-8.0 5.0/10854=22...(9) HB2 LEU 96 - HD3 LYS 95 far 15 98 15 - 5.9-9.0 QB ALA 28 - HD2 LYS 26 far 15 98 15 - 5.4-9.5 QB ALA 15 - HD2 LYS 19 poor 15 73 20 - 3.7-12.8 QB ALA 29 - HD3 LYS 31 poor 14 97 30 50 3.0-9.8 ~10782=27, 3.7/7749=8...(12) QB ALA 29 - HD2 LYS 31 poor 14 98 30 49 2.5-9.8 ~10782=27, 3.7/7749=7...(11) HG3 LYS 31 - HD2 LYS 36 far 12 81 15 - 4.8-13.4 QB ALA 29 - HD3 LYS 36 far 12 80 15 - 5.2-10.6 QB ALA 15 - HD3 LYS 19 far 11 71 15 - 3.8-12.9 QB ALA 108 - HD2 LYS 26 far 10 97 10 - 6.0-26.8 HG LEU 96 - HD2 LYS 95 far 10 96 10 - 5.0-10.2 QB ALA 28 - HD3 LYS 26 far 9 94 10 - 6.2-9.2 QB ALA 109 - HD3 LYS 26 far 9 94 10 - 5.1-28.1 HG LEU 96 - HD3 LYS 95 far 9 93 10 - 5.8-9.4 QB ALA 29 - HD3 LYS 26 far 9 92 10 - 4.5-11.4 QB ALA 16 - HD3 LYS 24 far 9 86 10 - 5.7-16.6 QB ALA 29 - HD3 LYS 24 far 9 86 10 - 5.3-12.6 HG3 LYS 31 - HD3 LYS 36 far 8 83 10 - 4.6-13.4 HG3 LYS 26 - HD2 LYS 24 far 8 82 10 - 5.3-11.0 HG3 LYS 26 - HD3 LYS 36 far 8 82 10 - 5.9-23.8 QB ALA 12 - HD3 LYS 24 far 8 54 15 - 4.3-18.1 HG3 LYS 26 - HD2 LYS 36 far 8 80 10 - 4.8-22.9 QB ALA 29 - HD2 LYS 36 far 8 78 10 - 5.2-9.9 HB2 LEU 42 - HD3 LYS 36 far 7 75 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 7 73 10 - 4.0-11.4 QB ALA 16 - HD2 LYS 19 far 7 72 10 - 4.8-11.3 QB ALA 28 - HD3 LYS 19 far 7 72 10 - 4.6-21.9 HB2 LEU 96 - HD2 LYS 95 far 5 100 5 - 5.6-9.4 HG2 LYS 36 - HD2 LYS 31 far 5 99 5 - 6.2-13.5 QB ALA 16 - HD2 LYS 31 far 5 99 5 - 5.3-24.0 QB ALA 12 - HD2 LYS 24 far 5 49 10 - 5.6-18.4 QB ALA 109 - HD2 LYS 26 far 5 98 5 - 4.4-27.7 QB ALA 110 - HD2 LYS 26 far 5 98 5 - 3.6-30.2 QB ALA 16 - HD3 LYS 31 far 5 97 5 - 6.3-25.2 HG2 LYS 36 - HD2 LYS 26 far 5 97 5 - 5.9-25.5 HG2 LYS 24 - HD2 LYS 26 far 5 95 5 - 5.8-11.1 QB ALA 110 - HD3 LYS 26 far 5 94 5 - 2.4-29.3 HG2 LYS 36 - HD3 LYS 26 far 5 93 5 - 5.1-24.7 QB ALA 108 - HD3 LYS 26 far 5 93 5 - 4.8-26.0 HG2 LYS 24 - HD3 LYS 26 far 5 91 5 - 5.2-11.4 HG3 LYS 95 - HD3 LYS 24 far 4 88 5 - 3.7-36.4 HG3 LYS 31 - HD3 LYS 24 far 4 88 5 - 5.9-16.5 HG2 LYS 95 - HD3 LYS 24 far 4 88 5 - 4.1-36.2 QB ALA 15 - HD3 LYS 24 far 4 87 5 - 3.5-17.1 QB ALA 108 - HD3 LYS 24 far 4 86 5 - 4.5-33.1 HG3 LYS 95 - HD2 LYS 24 far 4 83 5 - 3.4-37.4 HG3 LYS 31 - HD2 LYS 24 far 4 83 5 - 6.0-16.9 HG2 LYS 95 - HD2 LYS 24 far 4 82 5 - 4.4-37.2 QB ALA 15 - HD2 LYS 24 far 4 82 5 - 4.1-17.3 QB ALA 16 - HD2 LYS 24 far 4 81 5 - 4.9-17.1 QB ALA 108 - HD2 LYS 24 far 4 81 5 - 5.1-33.9 QB ALA 29 - HD2 LYS 24 far 4 80 5 - 5.3-13.3 HG2 LYS 24 - HD2 LYS 36 far 4 76 5 - 5.3-25.5 HG3 LYS 31 - HD2 LYS 19 far 4 74 5 - 4.6-25.3 QB ALA 28 - HD2 LYS 19 far 4 74 5 - 5.9-21.1 HG3 LYS 31 - HD3 LYS 19 far 4 72 5 - 4.1-26.6 QB ALA 16 - HD3 LYS 19 far 3 70 5 - 5.4-11.1 QB ALA 34 - HD2 LYS 26 far 3 56 5 - 4.9-20.3 QB ALA 34 - HD3 LYS 26 far 3 52 5 - 6.2-20.6 QB ALA 28 - HD3 LYS 24 lone 2 88 25 7 4.8-12.7 11150/11832=2...(3) QB ALA 12 - HD3 LYS 31 far 0 65 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 78 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 72 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 67 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 98 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 81 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 81 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 74 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 90 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 96 0 - 7.0-17.3 QB ALA 34 - HD2 LYS 24 far 0 43 0 - 7.0-21.4 HG2 LYS 24 - HD2 LYS 31 far 0 97 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 69 0 - 7.0-21.3 QB ALA 34 - HD3 LYS 24 far 0 47 0 - 7.1-22.6 QB ALA 109 - HD2 LYS 19 far 0 74 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 98 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 97 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 81 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 89 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 94 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 79 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 72 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 99 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 99 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 71 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 83 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 99 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 88 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 87 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 80 0 - 8.2-25.1 QB ALA 34 - HD3 LYS 31 far 0 57 0 - 8.2-12.5 QB ALA 108 - HD3 LYS 31 far 0 97 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 96 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 82 0 - 8.2-14.4 QB ALA 34 - HD2 LYS 31 far 0 59 0 - 8.3-12.7 QB ALA 109 - HD2 LYS 24 far 0 82 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 82 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 88 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 100 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 97 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 93 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 98 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 70 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 72 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 71 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 100 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 73 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 99 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 73 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 48 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 71 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 87 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 49 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 93 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 96 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 87 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 3016 from aliabs.peaks (1.65, 1.65, 28.97 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD2 LYS 95 + HD2 LYS 95 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 98 98 - 100 HD3 LYS 95 + HD3 LYS 95 OK 98 98 - 100 HD2 LYS 26 + HD2 LYS 26 OK 97 97 - 100 HD3 LYS 26 + HD3 LYS 26 OK 91 91 - 100 HD3 LYS 24 + HD3 LYS 24 OK 88 88 - 100 HD3 LYS 36 + HD3 LYS 36 OK 80 80 - 100 HD2 LYS 24 + HD2 LYS 24 OK 80 80 - 100 HD2 LYS 36 + HD2 LYS 36 OK 77 77 - 100 HD2 LYS 19 + HD2 LYS 19 OK 73 73 - 100 HD3 LYS 19 + HD3 LYS 19 OK 70 70 - 100 Peak 3017 from aliabs.peaks (1.66, 1.65, 28.97 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD2 LYS 95 + HD2 LYS 95 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 99 99 - 100 HD3 LYS 95 + HD3 LYS 95 OK 99 99 - 100 HD3 LYS 31 + HD3 LYS 31 OK 99 99 - 100 HD2 LYS 26 + HD2 LYS 26 OK 98 98 - 100 HD3 LYS 26 + HD3 LYS 26 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 86 86 - 100 HD3 LYS 36 + HD3 LYS 36 OK 82 82 - 100 HD2 LYS 24 + HD2 LYS 24 OK 82 82 - 100 HD2 LYS 36 + HD2 LYS 36 OK 80 80 - 100 HD2 LYS 19 + HD2 LYS 19 OK 70 70 - 100 HD3 LYS 19 + HD3 LYS 19 OK 66 66 - 100 Reference assignment not found: HD3 LYS 95 - HD2 LYS 95 Peak 3018 from aliabs.peaks (2.87, 1.65, 28.97 ppm; 4.00 A): 4 out of 13 assignments used, quality = 1.00: * HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 - HD3 LYS 24 far 4 88 5 - 5.3-37.9 HE2 LYS 95 - HD2 LYS 24 far 4 83 5 - 4.3-36.7 HE3 LYS 95 - HD2 LYS 24 far 0 82 0 - 5.8-36.5 HB3 ASN 59 - HD3 LYS 26 far 0 94 0 - 6.5-24.1 HE3 LYS 95 - HD3 LYS 24 far 0 88 0 - 6.8-37.4 HB2 ASN 116 - HD3 LYS 24 far 0 67 0 - 7.5-35.3 HB3 ASN 59 - HD2 LYS 26 far 0 97 0 - 8.0-25.0 HB2 ASN 116 - HD2 LYS 24 far 0 62 0 - 9.1-36.0 HB3 ASP 131 - HD2 LYS 95 far 0 98 0 - 9.1-17.0 Violated in 0 structures by 0.00 A. Peak 3019 from aliabs.peaks (2.87, 1.65, 28.97 ppm; 3.99 A): 4 out of 13 assignments used, quality = 1.00: * HE3 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 95 - HD3 LYS 24 far 4 88 5 - 5.3-37.9 HE2 LYS 95 - HD2 LYS 24 far 4 82 5 - 4.3-36.7 HE3 LYS 95 - HD2 LYS 24 far 0 83 0 - 5.8-36.5 HB3 ASN 59 - HD3 LYS 26 far 0 93 0 - 6.5-24.1 HE3 LYS 95 - HD3 LYS 24 far 0 88 0 - 6.8-37.4 HB2 ASN 116 - HD3 LYS 24 far 0 71 0 - 7.5-35.3 HB3 ASN 59 - HD2 LYS 26 far 0 97 0 - 8.0-25.0 HB2 ASN 116 - HD2 LYS 24 far 0 65 0 - 9.1-36.0 HB3 ASP 131 - HD2 LYS 95 far 0 99 0 - 9.1-17.0 Violated in 0 structures by 0.00 A. Peak 3022 from aliabs.peaks (4.02, 1.66, 28.97 ppm; 4.03 A): 4 out of 67 assignments used, quality = 1.00: * HA LYS 95 + HD3 LYS 95 OK 99 100 100 99 1.9-4.9 5.0=52, 2.9/7304=30...(33) HA LYS 95 + HD2 LYS 95 OK 98 99 100 99 3.1-5.5 5.0=52, 2.9/7304=30...(30) HA ILE 37 + HD3 LYS 36 OK 43 87 50 98 2.4-7.8 1113/10918=32...(27) HA ILE 37 + HD2 LYS 36 OK 34 86 40 98 3.1-7.6 1089/10818=32, ~6406=27...(27) HA GLN 68 - HD3 LYS 36 poor 13 63 20 - 3.3-11.9 HA GLN 68 - HD2 LYS 36 far 9 62 15 - 4.1-10.9 HA SER 60 - HD3 LYS 26 far 4 90 5 - 5.5-23.9 HA LYS 95 - HD2 LYS 24 far 4 88 5 - 4.1-35.8 HA GLU 44 - HD2 LYS 26 far 4 87 5 - 5.3-30.8 HA GLU 44 - HD3 LYS 26 far 4 86 5 - 5.2-30.5 HA GLU 44 - HD2 LYS 31 far 4 85 5 - 5.3-24.8 HA LYS 95 - HD3 LYS 24 far 4 84 5 - 4.2-34.8 HA GLN 68 - HD3 LYS 31 far 4 77 5 - 5.4-14.2 HA GLN 68 - HD2 LYS 31 far 4 75 5 - 4.6-14.1 HA GLU 102 - HD2 LYS 26 far 4 72 5 - 5.5-29.0 HA GLU 102 - HD3 LYS 26 far 4 71 5 - 4.4-30.5 HB2 SER 38 - HD3 LYS 36 far 0 65 0 - 5.8-12.4 HA SER 60 - HD2 LYS 26 far 0 91 0 - 6.0-24.7 HA LEU 96 - HD3 LYS 95 far 0 60 0 - 6.1-7.9 HA LEU 96 - HD2 LYS 95 far 0 57 0 - 6.1-7.9 HA GLU 44 - HD2 LYS 19 far 0 53 0 - 6.2-38.7 HA GLU 44 - HD3 LYS 31 far 0 87 0 - 6.4-23.3 HB3 SER 99 - HD3 LYS 24 far 0 48 0 - 6.4-33.5 HA LEU 122 - HD2 LYS 95 far 0 89 0 - 6.5-10.6 HB3 SER 99 - HD3 LYS 95 far 0 65 0 - 6.6-9.9 HA GLU 44 - HD3 LYS 36 far 0 72 0 - 6.7-16.4 HB2 SER 38 - HD2 LYS 36 far 0 64 0 - 7.1-11.9 HA GLU 44 - HD2 LYS 36 far 0 72 0 - 7.1-15.8 HA LEU 122 - HD3 LYS 95 far 0 92 0 - 7.2-9.5 HA GLN 68 - HD2 LYS 26 far 0 77 0 - 7.2-21.5 HA SER 50 - HD2 LYS 26 far 0 61 0 - 7.2-26.5 HA LEU 103 - HD3 LYS 26 far 0 96 0 - 7.3-27.8 HB3 SER 99 - HD2 LYS 95 far 0 63 0 - 7.4-10.6 HB2 SER 38 - HD3 LYS 24 far 0 61 0 - 7.5-27.6 HB3 SER 99 - HD2 LYS 24 far 0 51 0 - 7.5-34.5 HB2 SER 38 - HD2 LYS 24 far 0 65 0 - 7.7-29.2 HA ILE 37 - HD3 LYS 26 far 0 99 0 - 7.8-26.7 HA LEU 122 - HD3 LYS 24 far 0 72 0 - 7.8-31.5 HB3 SER 124 - HD2 LYS 95 far 0 93 0 - 7.9-12.4 HA LEU 119 - HD3 LYS 24 far 0 84 0 - 7.9-31.2 HA LEU 96 - HD3 LYS 24 far 0 44 0 - 7.9-31.1 HA GLU 44 - HD3 LYS 19 far 0 49 0 - 7.9-40.1 HA GLU 44 - HD2 LYS 24 far 0 72 0 - 7.9-31.0 HA SER 60 - HD2 LYS 31 far 0 89 0 - 8.0-23.5 HA ILE 37 - HD2 LYS 24 far 0 87 0 - 8.1-26.1 HA GLU 44 - HD3 LYS 24 far 0 69 0 - 8.1-29.5 HA GLN 68 - HD2 LYS 24 far 0 63 0 - 8.1-23.3 HA ILE 37 - HD3 LYS 31 far 0 99 0 - 8.2-17.2 HA SER 60 - HD3 LYS 19 far 0 52 0 - 8.2-34.7 HA SER 60 - HD3 LYS 24 far 0 72 0 - 8.4-29.3 HA LEU 96 - HD2 LYS 24 far 0 47 0 - 8.5-32.1 HA SER 50 - HD3 LYS 26 far 0 61 0 - 8.5-26.5 HA LEU 122 - HD2 LYS 24 far 0 76 0 - 8.6-32.5 HA GLN 68 - HD3 LYS 26 far 0 76 0 - 8.6-20.7 HB2 SER 38 - HD2 LYS 26 far 0 79 0 - 8.8-29.3 HA SER 60 - HD2 LYS 24 far 0 76 0 - 8.9-30.3 HA ILE 37 - HD2 LYS 26 far 0 99 0 - 8.9-27.3 HA LEU 103 - HD2 LYS 26 far 0 96 0 - 9.0-28.6 HA ILE 37 - HD2 LYS 31 far 0 98 0 - 9.0-17.0 HA SER 60 - HD2 LYS 19 far 0 56 0 - 9.0-36.2 HA SER 60 - HD3 LYS 31 far 0 90 0 - 9.0-23.1 HB3 SER 124 - HD3 LYS 95 far 0 96 0 - 9.2-11.9 HB2 SER 38 - HD2 LYS 19 far 0 47 0 - 9.4-39.4 HA GLN 68 - HD3 LYS 24 far 0 59 0 - 9.4-22.6 HA ILE 37 - HD3 LYS 24 far 0 83 0 - 9.4-25.4 HA LEU 119 - HD2 LYS 24 far 0 88 0 - 9.4-31.9 HB2 SER 38 - HD3 LYS 19 far 0 43 0 - 9.6-38.8 Violated in 0 structures by 0.00 A. Peak 3023 from aliabs.peaks (1.94, 1.66, 28.97 ppm; 4.23 A): 5 out of 50 assignments used, quality = 1.00: * HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.0-4.2 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 3.3-4.2 3.7=100 HB2 GLU 30 + HD3 LYS 31 OK 31 100 45 69 3.3-8.5 6326/6.2=20, 2810/3.5=12...(17) HB2 GLU 30 - HD2 LYS 31 poor 17 99 25 71 3.2-9.0 6326/6.2=20, 2810/3.5=12...(18) HB2 GLN 27 - HD2 LYS 31 far 9 60 15 - 4.4-12.3 HB2 GLN 27 - HD2 LYS 24 far 5 49 10 - 3.5-14.4 HB2 GLN 27 - HD3 LYS 24 far 5 46 10 - 3.0-14.8 HB2 GLU 30 - HD2 LYS 24 far 4 88 5 - 5.3-18.0 HB3 LYS 95 - HD2 LYS 24 far 4 87 5 - 5.6-35.2 HB3 LYS 95 - HD3 LYS 24 far 4 84 5 - 5.1-34.1 HB2 GLU 30 - HD2 LYS 19 far 3 66 5 - 3.5-25.5 HB2 GLU 30 - HD3 LYS 19 far 3 62 5 - 1.9-26.2 HB2 GLN 27 - HD3 LYS 31 far 3 61 5 - 3.7-11.9 HB2 GLN 27 - HD2 LYS 26 far 3 61 5 - 4.7-9.0 HB2 GLN 27 - HD3 LYS 26 far 3 61 5 - 5.1-8.4 HB2 PRO 58 - HD2 LYS 19 far 3 59 5 - 5.6-37.7 HB2 MET 11 - HD3 LYS 19 far 2 46 5 - 4.6-23.0 HB2 GLN 27 - HD2 LYS 19 far 0 35 0 - 5.8-23.5 HB2 MET 11 - HD2 LYS 19 far 0 50 0 - 5.9-22.9 HB2 PRO 58 - HD3 LYS 26 far 0 94 0 - 5.9-27.5 HB2 GLN 27 - HD3 LYS 36 far 0 49 0 - 5.9-17.8 HB2 GLN 27 - HD3 LYS 19 far 0 32 0 - 6.1-24.8 HB2 LYS 95 - HD3 LYS 24 far 0 84 0 - 6.2-33.9 HB2 GLU 30 - HD3 LYS 26 far 0 99 0 - 6.2-13.9 HB2 LYS 95 - HD2 LYS 24 far 0 88 0 - 6.2-35.0 HB2 GLU 30 - HD2 LYS 26 far 0 100 0 - 6.3-13.3 HB2 GLU 30 - HD3 LYS 24 far 0 84 0 - 6.9-17.0 HB2 PRO 58 - HD2 LYS 26 far 0 94 0 - 7.0-28.1 HB2 PRO 58 - HD3 LYS 19 far 0 55 0 - 7.2-37.4 HB3 ARG 90 - HD3 LYS 95 far 0 93 0 - 7.5-10.4 HB2 MET 11 - HD3 LYS 24 far 0 65 0 - 7.5-25.2 HB2 GLN 27 - HD2 LYS 36 far 0 49 0 - 7.5-17.2 HB3 LEU 49 - HD2 LYS 36 far 0 62 0 - 7.6-18.0 HB2 ARG 90 - HD3 LYS 95 far 0 73 0 - 7.6-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 91 0 - 7.7-11.3 HB2 GLU 30 - HD3 LYS 36 far 0 88 0 - 8.0-14.0 HB2 MET 11 - HD2 LYS 24 far 0 69 0 - 8.2-24.4 HB3 LEU 49 - HD3 LYS 24 far 0 59 0 - 8.3-24.9 HB3 LEU 49 - HD3 LYS 36 far 0 63 0 - 8.4-17.3 HB2 ARG 90 - HD2 LYS 95 far 0 70 0 - 8.6-11.8 HB2 GLU 30 - HD2 LYS 36 far 0 87 0 - 8.9-13.0 HB3 LEU 49 - HD2 LYS 24 far 0 63 0 - 9.1-26.1 HB2 PRO 58 - HD2 LYS 24 far 0 80 0 - 9.1-32.1 HB2 GLN 27 - HD2 LYS 95 far 0 60 0 - 9.2-30.8 HB3 LEU 49 - HD2 LYS 31 far 0 75 0 - 9.3-24.5 HG LEU 53 - HD2 LYS 26 far 0 100 0 - 9.4-25.4 HB3 LEU 49 - HD3 LYS 31 far 0 77 0 - 9.4-23.3 HB3 LEU 49 - HD2 LYS 26 far 0 77 0 - 9.6-24.5 Violated in 0 structures by 0.00 A. Peak 3024 from aliabs.peaks (1.94, 1.66, 28.97 ppm; 4.22 A): 5 out of 57 assignments used, quality = 1.00: * HB3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.8-3.8 3.7=100 HB2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 1.9-3.7 3.7=100 HB3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 3.3-4.2 3.7=100 HB2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.0-4.2 3.7=100 HB2 GLU 30 + HD3 LYS 31 OK 31 100 45 69 3.3-8.5 6326/6.2=20, 2810/3.5=12...(17) HB2 GLU 30 - HD2 LYS 31 poor 18 99 25 71 3.2-9.0 6326/6.2=20, 2810/3.5=12...(18) HB2 GLN 27 - HD2 LYS 31 far 10 68 15 - 4.4-12.3 HB ILE 37 - HD2 LYS 36 poor 9 46 20 - 5.0-8.4 HB ILE 37 - HD3 LYS 36 far 7 47 15 - 4.4-9.1 HB2 GLN 27 - HD2 LYS 24 far 6 56 10 - 3.5-14.4 HB2 GLN 27 - HD3 LYS 24 far 5 53 10 - 3.0-14.8 HB2 GLU 30 - HD2 LYS 24 far 4 88 5 - 5.3-18.0 HB3 LYS 95 - HD2 LYS 24 far 4 88 5 - 5.6-35.2 HB3 LYS 95 - HD3 LYS 24 far 4 84 5 - 5.1-34.1 HB2 GLN 27 - HD3 LYS 31 far 3 69 5 - 3.7-11.9 HB2 GLN 27 - HD2 LYS 26 far 3 69 5 - 4.7-9.0 HB2 GLN 27 - HD3 LYS 26 far 3 68 5 - 5.1-8.4 HB2 GLU 30 - HD2 LYS 19 far 3 66 5 - 3.5-25.5 HB2 GLU 30 - HD3 LYS 19 far 3 62 5 - 1.9-26.2 HB2 PRO 58 - HD2 LYS 19 far 3 62 5 - 5.6-37.7 HB2 MET 11 - HD3 LYS 19 far 2 42 5 - 4.6-23.0 HB2 GLN 27 - HD2 LYS 19 far 0 40 0 - 5.8-23.5 HB2 MET 11 - HD2 LYS 19 far 0 45 0 - 5.9-22.9 HB2 PRO 58 - HD3 LYS 26 far 0 96 0 - 5.9-27.5 HB2 GLN 27 - HD3 LYS 36 far 0 56 0 - 5.9-17.8 HB2 GLN 27 - HD3 LYS 19 far 0 37 0 - 6.1-24.8 HB2 LYS 95 - HD3 LYS 24 far 0 84 0 - 6.2-33.9 HB2 GLU 30 - HD3 LYS 26 far 0 99 0 - 6.2-13.9 HB2 LYS 95 - HD2 LYS 24 far 0 87 0 - 6.2-35.0 HB2 GLU 30 - HD2 LYS 26 far 0 100 0 - 6.3-13.3 HB2 GLU 30 - HD3 LYS 24 far 0 84 0 - 6.9-17.0 HB2 PRO 58 - HD2 LYS 26 far 0 97 0 - 7.0-28.1 HB2 PRO 58 - HD3 LYS 19 far 0 58 0 - 7.2-37.4 HB3 ARG 90 - HD3 LYS 95 far 0 97 0 - 7.5-10.4 HB2 MET 11 - HD3 LYS 24 far 0 59 0 - 7.5-25.2 HB2 GLN 27 - HD2 LYS 36 far 0 55 0 - 7.5-17.2 HB3 LEU 49 - HD2 LYS 36 far 0 55 0 - 7.6-18.0 HB2 ARG 90 - HD3 LYS 95 far 0 65 0 - 7.6-10.8 HB3 ARG 90 - HD2 LYS 95 far 0 94 0 - 7.7-11.3 HB2 GLU 30 - HD3 LYS 36 far 0 88 0 - 8.0-14.0 HB2 MET 11 - HD2 LYS 24 far 0 63 0 - 8.2-24.4 HB3 LEU 49 - HD3 LYS 24 far 0 53 0 - 8.3-24.9 HB3 LEU 49 - HD3 LYS 36 far 0 56 0 - 8.4-17.3 HB ILE 37 - HD3 LYS 26 far 0 58 0 - 8.5-26.2 HB2 ARG 90 - HD2 LYS 95 far 0 63 0 - 8.6-11.8 HB2 GLU 30 - HD2 LYS 36 far 0 87 0 - 8.9-13.0 HB3 LEU 49 - HD2 LYS 24 far 0 56 0 - 9.1-26.1 HB2 PRO 58 - HD2 LYS 24 far 0 84 0 - 9.1-32.1 HB2 GLN 27 - HD2 LYS 95 far 0 68 0 - 9.2-30.8 HB3 LEU 49 - HD2 LYS 31 far 0 68 0 - 9.3-24.5 HB ILE 37 - HD2 LYS 19 far 0 33 0 - 9.3-34.3 HG LEU 53 - HD2 LYS 26 far 0 99 0 - 9.4-25.4 HB ILE 37 - HD2 LYS 26 far 0 59 0 - 9.4-25.6 HB3 LEU 49 - HD3 LYS 31 far 0 69 0 - 9.4-23.3 HB ILE 37 - HD3 LYS 19 far 0 30 0 - 9.5-34.6 HB3 LEU 49 - HD2 LYS 26 far 0 69 0 - 9.6-24.5 HB ILE 37 - HD3 LYS 24 far 0 44 0 - 9.7-26.4 Violated in 0 structures by 0.00 A. Peak 3025 from aliabs.peaks (1.39, 1.66, 28.97 ppm; 4.90 A): 22 out of 148 assignments used, quality = 1.00: * HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 99 99 100 100 2.3-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-2.9 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 98 98 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 98 98 100 100 2.2-2.9 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 98 98 100 100 2.2-3.0 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 85 85 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 84 84 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 76 76 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 51 51 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 48 48 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 44 99 45 99 3.0-16.8 834/3.5=6, 5.0/6336=5...(214) HG3 LYS 31 + HD2 LYS 26 OK 35 99 35 99 4.8-17.0 834/3.5=6, 835/3.5=5...(223) QB ALA 28 + HD3 LYS 31 OK 27 99 45 59 2.9-9.7 6304/10771=28, ~10771=24...(9) HG2 LYS 19 + HD3 LYS 24 OK 24 67 40 90 2.7-16.9 3.0/2631=3, ~823=3...(110) HG3 LYS 26 + HD2 LYS 31 OK 24 97 25 99 3.6-15.7 639/3.5=7, 640/3.5=6...(194) QB ALA 34 + HD2 LYS 36 OK 24 53 65 69 4.7-8.0 5.0/10775=30...(9) QB ALA 28 + HD2 LYS 31 OK 24 98 40 60 2.1-10.6 6304/10771=34, ~10771=20...(10) QB ALA 34 + HD3 LYS 36 OK 23 54 65 65 4.1-8.0 5.0/10775=23...(9) HG3 LYS 26 - HD3 LYS 31 poor 20 98 20 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 poor 20 98 20 - 3.8-22.6 QB ALA 15 - HD2 LYS 31 poor 19 97 20 - 3.6-21.3 QB ALA 29 - HD2 LYS 26 poor 19 96 20 - 4.7-11.1 HG2 LYS 19 - HD2 LYS 24 poor 18 71 25 - 3.0-17.8 QB ALA 28 - HD2 LYS 24 poor 17 87 20 - 4.4-13.3 HG3 LYS 26 - HD3 LYS 24 poor 16 81 20 - 3.7-11.0 QB ALA 28 - HD2 LYS 26 far 15 99 15 - 5.4-9.5 HG2 LYS 24 - HD2 LYS 19 poor 15 59 25 - 3.2-16.1 QB ALA 28 - HD3 LYS 26 far 15 99 15 - 6.2-9.2 HB2 LEU 96 - HD3 LYS 95 far 15 99 15 - 5.9-9.0 QB ALA 29 - HD3 LYS 31 poor 14 96 30 50 3.0-9.8 ~10782=28, 3.7/7749=7...(12) QB ALA 29 - HD2 LYS 31 poor 14 95 30 49 2.5-9.8 ~10782=28, 3.7/7749=6...(10) HG2 LYS 24 - HD3 LYS 19 poor 14 55 25 - 2.1-17.8 QB ALA 12 - HD3 LYS 19 poor 14 30 45 - 2.1-15.8 QB ALA 12 - HD2 LYS 19 poor 13 33 40 - 2.2-15.1 HG3 LYS 31 - HD2 LYS 36 far 13 87 15 - 4.8-13.4 QB ALA 15 - HD2 LYS 19 poor 13 64 20 - 3.7-12.8 QB ALA 29 - HD3 LYS 36 far 12 83 15 - 5.2-10.6 QB ALA 29 - HD2 LYS 36 far 12 82 15 - 5.2-9.9 QB ALA 109 - HD3 LYS 26 far 10 99 10 - 5.1-28.1 HG LEU 96 - HD3 LYS 95 far 10 98 10 - 5.8-9.4 QB ALA 108 - HD2 LYS 26 far 10 97 10 - 6.0-26.8 HG LEU 96 - HD2 LYS 95 far 10 96 10 - 5.0-10.2 QB ALA 29 - HD3 LYS 26 far 10 96 10 - 4.5-11.4 QB ALA 15 - HD3 LYS 19 far 9 60 15 - 3.8-12.9 HG3 LYS 31 - HD3 LYS 36 far 9 87 10 - 4.6-13.4 HG3 LYS 26 - HD2 LYS 24 far 9 85 10 - 5.3-11.0 HG3 LYS 26 - HD3 LYS 36 far 9 85 10 - 5.9-23.8 HG3 LYS 26 - HD2 LYS 36 far 8 85 10 - 4.8-22.9 QB ALA 16 - HD3 LYS 24 far 8 84 10 - 5.7-16.6 QB ALA 29 - HD3 LYS 24 far 8 79 10 - 5.3-12.6 HB2 LEU 42 - HD3 LYS 36 far 8 76 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 8 75 10 - 4.0-11.4 QB ALA 16 - HD2 LYS 19 far 7 66 10 - 4.8-11.3 QB ALA 12 - HD3 LYS 24 far 7 44 15 - 4.3-18.1 QB ALA 28 - HD3 LYS 19 far 6 61 10 - 4.6-21.9 QB ALA 109 - HD2 LYS 26 far 5 100 5 - 4.4-27.7 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 6.3-25.2 QB ALA 110 - HD2 LYS 26 far 5 99 5 - 3.6-30.2 QB ALA 110 - HD3 LYS 26 far 5 98 5 - 2.4-29.3 QB ALA 16 - HD2 LYS 31 far 5 98 5 - 5.3-24.0 HG2 LYS 36 - HD2 LYS 26 far 5 98 5 - 5.9-25.5 HG2 LYS 36 - HD3 LYS 26 far 5 97 5 - 5.1-24.7 HB2 LEU 96 - HD2 LYS 95 far 5 97 5 - 5.6-9.4 QB ALA 108 - HD3 LYS 26 far 5 96 5 - 4.8-26.0 HG2 LYS 36 - HD2 LYS 31 far 5 96 5 - 6.2-13.5 HG2 LYS 24 - HD2 LYS 26 far 5 94 5 - 5.8-11.1 HG2 LYS 24 - HD3 LYS 26 far 5 94 5 - 5.2-11.4 QB ALA 12 - HD2 LYS 24 far 5 47 10 - 5.6-18.4 HG2 LYS 95 - HD2 LYS 24 far 4 88 5 - 4.4-37.2 HG3 LYS 95 - HD2 LYS 24 far 4 87 5 - 3.4-37.4 QB ALA 16 - HD2 LYS 24 far 4 87 5 - 4.9-17.1 HG3 LYS 31 - HD2 LYS 24 far 4 87 5 - 6.0-16.9 QB ALA 15 - HD2 LYS 24 far 4 85 5 - 4.1-17.3 HG2 LYS 95 - HD3 LYS 24 far 4 84 5 - 4.1-36.2 HG3 LYS 95 - HD3 LYS 24 far 4 84 5 - 3.7-36.4 QB ALA 108 - HD2 LYS 24 far 4 84 5 - 5.1-33.9 HG3 LYS 31 - HD3 LYS 24 far 4 84 5 - 5.9-16.5 QB ALA 29 - HD2 LYS 24 far 4 83 5 - 5.3-13.3 QB ALA 15 - HD3 LYS 24 far 4 81 5 - 3.5-17.1 QB ALA 108 - HD3 LYS 24 far 4 80 5 - 4.5-33.1 HG2 LYS 24 - HD2 LYS 36 far 4 80 5 - 5.3-25.5 QB ALA 34 - HD2 LYS 26 far 3 67 5 - 4.9-20.3 HG3 LYS 31 - HD2 LYS 19 far 3 66 5 - 4.6-25.3 QB ALA 34 - HD3 LYS 26 far 3 66 5 - 6.2-20.6 QB ALA 28 - HD2 LYS 19 far 3 66 5 - 5.9-21.1 HG3 LYS 31 - HD3 LYS 19 far 3 62 5 - 4.1-26.6 QB ALA 16 - HD3 LYS 19 far 3 62 5 - 5.4-11.1 QB ALA 28 - HD3 LYS 24 lone 2 83 25 7 4.8-12.7 11150/11832=2...(3) QB ALA 12 - HD3 LYS 31 far 0 59 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 80 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 62 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 57 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 98 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 87 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 85 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 65 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 84 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 94 0 - 7.0-17.3 QB ALA 34 - HD2 LYS 24 far 0 54 0 - 7.0-21.4 HG2 LYS 24 - HD2 LYS 31 far 0 93 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 57 0 - 7.0-21.3 QB ALA 34 - HD3 LYS 24 far 0 51 0 - 7.1-22.6 QB ALA 109 - HD2 LYS 19 far 0 66 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 98 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 98 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 86 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 85 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 98 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 87 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 62 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 96 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 99 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 60 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 84 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 96 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 84 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 81 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 85 0 - 8.2-25.1 QB ALA 34 - HD3 LYS 31 far 0 67 0 - 8.2-12.5 QB ALA 108 - HD3 LYS 31 far 0 97 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 96 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 87 0 - 8.2-14.4 QB ALA 34 - HD2 LYS 31 far 0 65 0 - 8.3-12.7 QB ALA 109 - HD2 LYS 24 far 0 88 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 85 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 85 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 98 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 99 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 99 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 93 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 58 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 62 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 60 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 98 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 64 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 97 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 63 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 46 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 71 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 90 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 47 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 92 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 89 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 81 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 3026 from aliabs.peaks (1.39, 1.66, 28.97 ppm; 4.89 A): 21 out of 148 assignments used, quality = 1.00: * HG3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 31 + HD3 LYS 31 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 26 + HD2 LYS 26 OK 99 99 100 100 2.2-2.9 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-2.9 2.9=100 HG3 LYS 31 + HD2 LYS 31 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 LYS 26 + HD3 LYS 26 OK 99 99 100 100 2.2-3.0 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.2-2.9 2.9=100 HG2 LYS 36 + HD3 LYS 36 OK 87 87 100 100 2.2-3.0 3.0=100 HG2 LYS 36 + HD2 LYS 36 OK 86 86 100 100 2.3-3.0 3.0=100 HG2 LYS 24 + HD2 LYS 24 OK 84 84 100 100 2.2-3.0 3.0=100 HG2 LYS 24 + HD3 LYS 24 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 56 56 100 100 2.5-3.0 3.0=100 HG2 LYS 19 + HD3 LYS 19 OK 52 52 100 100 2.4-3.0 3.0=100 HG3 LYS 31 + HD3 LYS 26 OK 44 99 45 99 3.0-16.8 834/3.5=6, 5.0/6336=5...(213) HG3 LYS 31 + HD2 LYS 26 OK 35 100 35 99 4.8-17.0 834/3.5=6, 835/3.5=5...(222) QB ALA 28 + HD3 LYS 31 OK 27 100 45 59 2.9-9.7 6304/10771=27, ~10771=24...(9) HG2 LYS 19 + HD3 LYS 24 OK 26 72 40 90 2.7-16.9 3.0/2631=3, ~823=3...(110) HG3 LYS 26 + HD2 LYS 31 OK 24 98 25 99 3.6-15.7 639/3.5=7, 640/3.5=6...(194) QB ALA 28 + HD2 LYS 31 OK 24 99 40 60 2.1-10.6 6304/10771=33, ~10771=20...(10) QB ALA 34 + HD2 LYS 36 OK 20 46 65 67 4.7-8.0 5.0/10775=30...(9) HG3 LYS 26 - HD3 LYS 31 poor 20 99 20 - 3.4-15.4 QB ALA 15 - HD3 LYS 31 poor 20 99 20 - 3.8-22.6 QB ALA 29 - HD2 LYS 26 poor 20 98 20 - 4.7-11.1 QB ALA 15 - HD2 LYS 31 poor 20 98 20 - 3.6-21.3 HG2 LYS 19 - HD2 LYS 24 poor 19 76 25 - 3.0-17.8 QB ALA 28 - HD2 LYS 24 poor 18 88 20 - 4.4-13.3 QB ALA 34 - HD3 LYS 36 poor 18 47 60 63 4.1-8.0 5.0/10775=23...(9) HG3 LYS 26 - HD3 LYS 24 poor 17 83 20 - 3.7-11.0 QB ALA 12 - HD3 LYS 19 poor 16 35 45 - 2.1-15.8 HG2 LYS 24 - HD2 LYS 19 poor 16 62 25 - 3.2-16.1 QB ALA 12 - HD2 LYS 19 poor 15 38 40 - 2.2-15.1 HB2 LEU 96 - HD3 LYS 95 far 15 100 15 - 5.9-9.0 QB ALA 28 - HD2 LYS 26 far 15 100 15 - 5.4-9.5 QB ALA 29 - HD3 LYS 31 poor 15 98 30 50 3.0-9.8 ~10782=27, 3.7/7749=7...(12) HG2 LYS 24 - HD3 LYS 19 poor 15 58 25 - 2.1-17.8 QB ALA 29 - HD2 LYS 31 poor 14 97 30 49 2.5-9.8 ~10782=27, 3.7/7749=6...(10) QB ALA 15 - HD2 LYS 19 poor 13 66 20 - 3.7-12.8 HG3 LYS 31 - HD2 LYS 36 far 13 87 15 - 4.8-13.4 QB ALA 29 - HD3 LYS 36 far 13 85 15 - 5.2-10.6 QB ALA 109 - HD3 LYS 26 far 10 99 10 - 5.1-28.1 QB ALA 28 - HD3 LYS 26 far 10 99 10 - 6.2-9.2 QB ALA 108 - HD2 LYS 26 far 10 99 10 - 6.0-26.8 QB ALA 29 - HD3 LYS 26 far 10 98 10 - 4.5-11.4 HG LEU 96 - HD3 LYS 95 far 10 96 10 - 5.8-9.4 HG LEU 96 - HD2 LYS 95 far 9 93 10 - 5.0-10.2 QB ALA 15 - HD3 LYS 19 far 9 61 15 - 3.8-12.9 HG3 LYS 31 - HD3 LYS 36 far 9 88 10 - 4.6-13.4 HG3 LYS 26 - HD2 LYS 24 far 9 87 10 - 5.3-11.0 HG3 LYS 26 - HD3 LYS 36 far 9 87 10 - 5.9-23.8 HG3 LYS 26 - HD2 LYS 36 far 9 86 10 - 4.8-22.9 QB ALA 29 - HD2 LYS 36 far 8 85 10 - 5.2-9.9 QB ALA 16 - HD3 LYS 24 far 8 82 10 - 5.7-16.6 QB ALA 29 - HD3 LYS 24 far 8 81 10 - 5.3-12.6 HB2 LEU 42 - HD3 LYS 36 far 8 80 10 - 3.8-11.6 HB2 LEU 42 - HD2 LYS 36 far 8 80 10 - 4.0-11.4 QB ALA 12 - HD3 LYS 24 far 8 51 15 - 4.3-18.1 QB ALA 16 - HD2 LYS 19 far 6 65 10 - 4.8-11.3 QB ALA 28 - HD3 LYS 19 far 6 62 10 - 4.6-21.9 QB ALA 12 - HD2 LYS 24 far 5 54 10 - 5.6-18.4 QB ALA 110 - HD2 LYS 26 far 5 99 5 - 3.6-30.2 QB ALA 109 - HD2 LYS 26 far 5 100 5 - 4.4-27.7 QB ALA 110 - HD3 LYS 26 far 5 99 5 - 2.4-29.3 HG2 LYS 36 - HD2 LYS 26 far 5 99 5 - 5.9-25.5 HG2 LYS 36 - HD3 LYS 26 far 5 98 5 - 5.1-24.7 QB ALA 16 - HD3 LYS 31 far 5 99 5 - 6.3-25.2 QB ALA 108 - HD3 LYS 26 far 5 98 5 - 4.8-26.0 HB2 LEU 96 - HD2 LYS 95 far 5 98 5 - 5.6-9.4 HG2 LYS 36 - HD2 LYS 31 far 5 98 5 - 6.2-13.5 QB ALA 16 - HD2 LYS 31 far 5 97 5 - 5.3-24.0 HG2 LYS 24 - HD2 LYS 26 far 5 97 5 - 5.8-11.1 HG2 LYS 24 - HD3 LYS 26 far 5 96 5 - 5.2-11.4 HG3 LYS 95 - HD2 LYS 24 far 4 88 5 - 3.4-37.4 HG3 LYS 31 - HD2 LYS 24 far 4 88 5 - 6.0-16.9 HG2 LYS 95 - HD2 LYS 24 far 4 87 5 - 4.4-37.2 QB ALA 15 - HD2 LYS 24 far 4 87 5 - 4.1-17.3 QB ALA 16 - HD2 LYS 24 far 4 86 5 - 4.9-17.1 QB ALA 108 - HD2 LYS 24 far 4 86 5 - 5.1-33.9 QB ALA 29 - HD2 LYS 24 far 4 85 5 - 5.3-13.3 HG3 LYS 95 - HD3 LYS 24 far 4 84 5 - 3.7-36.4 HG3 LYS 31 - HD3 LYS 24 far 4 84 5 - 5.9-16.5 HG2 LYS 95 - HD3 LYS 24 far 4 84 5 - 4.1-36.2 QB ALA 15 - HD3 LYS 24 far 4 83 5 - 3.5-17.1 HG2 LYS 24 - HD2 LYS 36 far 4 83 5 - 5.3-25.5 QB ALA 108 - HD3 LYS 24 far 4 82 5 - 4.5-33.1 HG3 LYS 31 - HD2 LYS 19 far 3 66 5 - 4.6-25.3 QB ALA 28 - HD2 LYS 19 far 3 66 5 - 5.9-21.1 HG3 LYS 31 - HD3 LYS 19 far 3 62 5 - 4.1-26.6 QB ALA 16 - HD3 LYS 19 far 3 60 5 - 5.4-11.1 QB ALA 34 - HD2 LYS 26 far 3 59 5 - 4.9-20.3 QB ALA 34 - HD3 LYS 26 far 3 58 5 - 6.2-20.6 QB ALA 28 - HD3 LYS 24 lone 2 84 25 7 4.8-12.7 11150/11832=2...(3) QB ALA 12 - HD3 LYS 31 far 0 67 0 - 6.4-22.7 HG2 LYS 24 - HD3 LYS 36 far 0 84 0 - 6.6-25.9 QB ALA 109 - HD3 LYS 19 far 0 62 0 - 6.6-41.1 QB ALA 12 - HD2 LYS 31 far 0 65 0 - 6.7-21.6 HG2 LYS 36 - HD3 LYS 31 far 0 99 0 - 6.7-13.2 QB ALA 16 - HD3 LYS 36 far 0 86 0 - 6.9-25.7 HG2 LYS 36 - HD2 LYS 24 far 0 87 0 - 7.0-25.5 QB ALA 110 - HD2 LYS 19 far 0 66 0 - 7.0-45.0 HG2 LYS 19 - HD2 LYS 31 far 0 89 0 - 7.0-24.4 HG2 LYS 24 - HD3 LYS 31 far 0 97 0 - 7.0-17.3 QB ALA 34 - HD2 LYS 24 far 0 47 0 - 7.0-21.4 HG2 LYS 24 - HD2 LYS 31 far 0 96 0 - 7.0-16.7 QB ALA 29 - HD3 LYS 19 far 0 60 0 - 7.0-21.3 QB ALA 34 - HD3 LYS 24 far 0 44 0 - 7.1-22.6 QB ALA 109 - HD2 LYS 19 far 0 66 0 - 7.1-42.5 QB ALA 108 - HD3 LYS 95 far 0 99 0 - 7.1-21.1 QB ALA 15 - HD2 LYS 26 far 0 99 0 - 7.2-19.7 QB ALA 28 - HD2 LYS 36 far 0 87 0 - 7.3-13.7 HG2 LYS 19 - HD3 LYS 31 far 0 90 0 - 7.3-24.8 QB ALA 15 - HD3 LYS 26 far 0 99 0 - 7.4-19.3 QB ALA 16 - HD2 LYS 36 far 0 85 0 - 7.7-25.0 QB ALA 29 - HD2 LYS 19 far 0 64 0 - 7.7-21.5 QB ALA 108 - HD2 LYS 31 far 0 97 0 - 7.7-26.1 QB ALA 110 - HD3 LYS 95 far 0 100 0 - 7.8-24.3 QB ALA 110 - HD3 LYS 19 far 0 62 0 - 7.8-43.6 HG2 LYS 19 - HD3 LYS 26 far 0 90 0 - 7.8-23.7 QB ALA 108 - HD2 LYS 95 far 0 98 0 - 8.0-22.2 QB ALA 109 - HD3 LYS 24 far 0 84 0 - 8.0-34.8 HG2 LYS 36 - HD3 LYS 24 far 0 83 0 - 8.1-26.2 QB ALA 15 - HD2 LYS 36 far 0 86 0 - 8.2-25.1 QB ALA 34 - HD3 LYS 31 far 0 59 0 - 8.2-12.5 QB ALA 108 - HD3 LYS 31 far 0 99 0 - 8.2-26.1 HG2 LYS 24 - HD3 LYS 95 far 0 98 0 - 8.2-35.5 QB ALA 28 - HD3 LYS 36 far 0 88 0 - 8.2-14.4 QB ALA 34 - HD2 LYS 31 far 0 57 0 - 8.3-12.7 QB ALA 109 - HD2 LYS 24 far 0 88 0 - 8.3-35.6 QB ALA 15 - HD3 LYS 36 far 0 87 0 - 8.4-25.5 HG2 LYS 19 - HD2 LYS 26 far 0 91 0 - 8.4-23.4 QB ALA 110 - HD2 LYS 95 far 0 99 0 - 8.4-24.2 QB ALA 16 - HD2 LYS 26 far 0 99 0 - 8.6-20.6 QB ALA 16 - HD3 LYS 26 far 0 98 0 - 8.7-20.3 HG2 LYS 24 - HD2 LYS 95 far 0 96 0 - 8.8-37.0 QB ALA 108 - HD3 LYS 19 far 0 60 0 - 8.9-40.2 QB ALA 108 - HD2 LYS 19 far 0 65 0 - 9.2-41.6 HG3 LYS 26 - HD3 LYS 19 far 0 61 0 - 9.2-24.1 QB ALA 28 - HD2 LYS 95 far 0 99 0 - 9.3-24.3 HG3 LYS 26 - HD2 LYS 19 far 0 66 0 - 9.3-22.3 QB ALA 110 - HD2 LYS 31 far 0 98 0 - 9.3-28.7 HG2 LYS 36 - HD2 LYS 19 far 0 65 0 - 9.4-35.1 QB ALA 12 - HD2 LYS 36 far 0 53 0 - 9.5-24.4 HG2 LYS 19 - HD3 LYS 36 far 0 76 0 - 9.6-33.3 HB2 LEU 42 - HD3 LYS 26 far 0 94 0 - 9.8-27.9 QB ALA 12 - HD3 LYS 36 far 0 54 0 - 9.8-25.2 HB3 LEU 100 - HD3 LYS 95 far 0 96 0 - 9.9-13.5 HB3 LEU 100 - HD2 LYS 95 far 0 93 0 - 10.0-12.5 HB2 LEU 96 - HD3 LYS 24 far 0 83 0 - 10.0-29.3 Violated in 0 structures by 0.00 A. Peak 3027 from aliabs.peaks (1.65, 1.66, 28.97 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: HD3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 99 99 - 100 HD2 LYS 26 + HD2 LYS 26 OK 99 99 - 100 HD2 LYS 95 + HD2 LYS 95 OK 99 99 - 100 HD2 LYS 31 + HD2 LYS 31 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 97 97 - 100 HD3 LYS 36 + HD3 LYS 36 OK 85 85 - 100 HD2 LYS 24 + HD2 LYS 24 OK 85 85 - 100 HD3 LYS 24 + HD3 LYS 24 OK 84 84 - 100 HD2 LYS 36 + HD2 LYS 36 OK 84 84 - 100 HD2 LYS 19 + HD2 LYS 19 OK 66 66 - 100 HD3 LYS 19 + HD3 LYS 19 OK 60 60 - 100 Reference assignment not found: HD2 LYS 95 - HD3 LYS 95 Peak 3028 from aliabs.peaks (1.66, 1.66, 28.97 ppm; diagonal): 12 out of 12 assignments used, quality = 1.00: * HD3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 26 + HD3 LYS 26 OK 99 99 - 100 HD2 LYS 31 + HD2 LYS 31 OK 98 98 - 100 HD2 LYS 95 + HD2 LYS 95 OK 98 98 - 100 HD3 LYS 36 + HD3 LYS 36 OK 88 88 - 100 HD2 LYS 24 + HD2 LYS 24 OK 88 88 - 100 HD2 LYS 36 + HD2 LYS 36 OK 87 87 - 100 HD3 LYS 24 + HD3 LYS 24 OK 82 82 - 100 HD2 LYS 19 + HD2 LYS 19 OK 62 62 - 100 HD3 LYS 19 + HD3 LYS 19 OK 56 56 - 100 Peak 3029 from aliabs.peaks (2.87, 1.66, 28.97 ppm; 4.00 A): 4 out of 13 assignments used, quality = 1.00: * HE2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.5-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 - HD2 LYS 24 far 4 88 5 - 4.3-36.7 HE2 LYS 95 - HD3 LYS 24 far 4 84 5 - 5.3-37.9 HE3 LYS 95 - HD2 LYS 24 far 0 88 0 - 5.8-36.5 HB3 ASN 59 - HD3 LYS 26 far 0 99 0 - 6.5-24.1 HE3 LYS 95 - HD3 LYS 24 far 0 84 0 - 6.8-37.4 HB2 ASN 116 - HD3 LYS 24 far 0 63 0 - 7.5-35.3 HB3 ASN 59 - HD2 LYS 26 far 0 99 0 - 8.0-25.0 HB2 ASN 116 - HD2 LYS 24 far 0 67 0 - 9.1-36.0 HB3 ASP 131 - HD2 LYS 95 far 0 96 0 - 9.1-17.0 Violated in 0 structures by 0.00 A. Peak 3030 from aliabs.peaks (2.87, 1.66, 28.97 ppm; 3.99 A): 4 out of 13 assignments used, quality = 1.00: * HE3 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 99 99 100 100 2.5-3.0 3.0=100 HE2 LYS 95 - HD2 LYS 24 far 4 88 5 - 4.3-36.7 HE2 LYS 95 - HD3 LYS 24 far 4 84 5 - 5.3-37.9 HE3 LYS 95 - HD2 LYS 24 far 0 88 0 - 5.8-36.5 HB3 ASN 59 - HD3 LYS 26 far 0 98 0 - 6.5-24.1 HE3 LYS 95 - HD3 LYS 24 far 0 84 0 - 6.8-37.4 HB2 ASN 116 - HD3 LYS 24 far 0 67 0 - 7.5-35.3 HB3 ASN 59 - HD2 LYS 26 far 0 99 0 - 8.0-25.0 HB2 ASN 116 - HD2 LYS 24 far 0 71 0 - 9.1-36.0 HB3 ASP 131 - HD2 LYS 95 far 0 97 0 - 9.1-17.0 Violated in 0 structures by 0.00 A. Peak 3032 from aliabs.peaks (7.70, 2.87, 41.80 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.7-5.2 6.7=100 H LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.5-4.8 6.7=100 H GLN 101 - HE3 LYS 95 far 0 93 0 - 8.9-11.9 H GLN 101 - HE2 LYS 95 far 0 93 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 3033 from aliabs.peaks (4.02, 2.87, 41.80 ppm; 4.68 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 95 + HE2 LYS 95 OK 99 100 100 99 2.8-4.5 6.4=39, 2958/1.8=31...(24) HA LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.4-5.0 6.4=39, 2958/1.8=31...(24) HA LEU 96 - HE2 LYS 95 far 3 60 5 - 6.0-8.1 HA LEU 96 - HE3 LYS 95 far 0 60 0 - 6.2-8.7 HA LEU 122 - HE3 LYS 95 far 0 91 0 - 6.2-10.9 HA LEU 122 - HE2 LYS 95 far 0 92 0 - 6.5-10.4 HB3 SER 99 - HE3 LYS 95 far 0 65 0 - 7.1-11.7 HB3 SER 124 - HE2 LYS 95 far 0 96 0 - 7.1-12.6 HB3 SER 99 - HE2 LYS 95 far 0 65 0 - 7.7-11.0 HB3 SER 124 - HE3 LYS 95 far 0 95 0 - 8.9-13.2 Violated in 0 structures by 0.00 A. Peak 3034 from aliabs.peaks (1.94, 2.87, 41.80 ppm; 5.03 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=85, 3.0/3033=36...(23) HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=85, 3.0/3033=36...(23) HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=85, 3.0/3033=36...(23) HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=85, 3.0/3033=36...(22) HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 6.8-12.9 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 6.9-12.3 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 6.9-12.1 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 7.0-12.9 HB2 GLN 27 - HE2 LYS 95 far 0 63 0 - 7.4-31.8 HB2 GLN 27 - HE3 LYS 95 far 0 62 0 - 8.7-31.0 Violated in 0 structures by 0.00 A. Peak 3035 from aliabs.peaks (1.94, 2.87, 41.80 ppm; 5.03 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=85, 3.0/3033=36...(23) HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=85, 3.0/3033=36...(22) HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=85, 3.0/3033=36...(23) HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=85, 3.0/3033=36...(23) HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 6.8-12.9 HB3 ARG 90 - HE3 LYS 95 far 0 96 0 - 6.9-12.3 HB3 ARG 90 - HE2 LYS 95 far 0 97 0 - 6.9-12.1 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 7.0-12.9 HB2 GLN 27 - HE2 LYS 95 far 0 71 0 - 7.4-31.8 HB2 GLN 27 - HE3 LYS 95 far 0 70 0 - 8.7-31.0 Violated in 0 structures by 0.00 A. Peak 3036 from aliabs.peaks (1.39, 2.87, 41.80 ppm; 4.73 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 QB ALA 110 - HE3 LYS 95 far 5 99 5 - 5.9-25.2 QB ALA 108 - HE3 LYS 95 far 5 98 5 - 5.9-22.4 HG LEU 96 - HE2 LYS 95 far 0 98 0 - 6.3-10.3 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 6.5-9.1 HG LEU 96 - HE3 LYS 95 far 0 98 0 - 6.5-10.0 QB ALA 110 - HE2 LYS 95 far 0 99 0 - 6.5-24.9 QB ALA 108 - HE2 LYS 95 far 0 98 0 - 7.0-21.6 HB2 LEU 96 - HE3 LYS 95 far 0 98 0 - 7.2-9.9 HG2 LYS 24 - HE2 LYS 95 far 0 96 0 - 7.3-36.9 QB ALA 28 - HE2 LYS 95 far 0 100 0 - 7.5-24.0 QB ALA 28 - HE3 LYS 95 far 0 100 0 - 8.1-23.7 HG2 LYS 24 - HE3 LYS 95 far 0 95 0 - 8.8-36.3 HB3 LEU 100 - HE3 LYS 95 far 0 91 0 - 9.4-14.3 HB3 LEU 100 - HE2 LYS 95 far 0 92 0 - 9.7-13.0 QB ALA 29 - HE2 LYS 95 far 0 97 0 - 9.8-21.3 QB ALA 109 - HE3 LYS 95 far 0 100 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 3037 from aliabs.peaks (1.39, 2.87, 41.80 ppm; 4.73 A): 4 out of 20 assignments used, quality = 1.00: * HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 QB ALA 110 - HE3 LYS 95 far 5 100 5 - 5.9-25.2 QB ALA 108 - HE3 LYS 95 far 5 99 5 - 5.9-22.4 HG LEU 96 - HE2 LYS 95 far 0 96 0 - 6.3-10.3 HB2 LEU 96 - HE2 LYS 95 far 0 100 0 - 6.5-9.1 HG LEU 96 - HE3 LYS 95 far 0 95 0 - 6.5-10.0 QB ALA 110 - HE2 LYS 95 far 0 100 0 - 6.5-24.9 QB ALA 108 - HE2 LYS 95 far 0 99 0 - 7.0-21.6 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 7.2-9.9 HG2 LYS 24 - HE2 LYS 95 far 0 98 0 - 7.3-36.9 QB ALA 28 - HE2 LYS 95 far 0 100 0 - 7.5-24.0 QB ALA 28 - HE3 LYS 95 far 0 100 0 - 8.1-23.7 HG2 LYS 24 - HE3 LYS 95 far 0 98 0 - 8.8-36.3 HB3 LEU 100 - HE3 LYS 95 far 0 95 0 - 9.4-14.3 HB3 LEU 100 - HE2 LYS 95 far 0 96 0 - 9.7-13.0 QB ALA 29 - HE2 LYS 95 far 0 99 0 - 9.8-21.3 QB ALA 109 - HE3 LYS 95 far 0 100 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 3038 from aliabs.peaks (1.65, 2.87, 41.80 ppm; 3.89 A): 4 out of 12 assignments used, quality = 1.00: * HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HD3 LYS 24 - HE2 LYS 95 far 5 100 5 - 5.3-37.9 HD2 LYS 24 - HE2 LYS 95 far 5 99 5 - 4.3-36.7 HB2 LEU 98 - HE2 LYS 95 far 5 99 5 - 5.2-8.9 HB2 LEU 98 - HE3 LYS 95 far 5 98 5 - 4.3-9.0 HD2 LYS 24 - HE3 LYS 95 far 0 99 0 - 5.8-36.5 HD3 LYS 24 - HE3 LYS 95 far 0 100 0 - 6.8-37.4 QB ALA 88 - HE3 LYS 95 far 0 98 0 - 7.5-11.1 QB ALA 88 - HE2 LYS 95 far 0 98 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 3039 from aliabs.peaks (1.66, 2.87, 41.80 ppm; 3.89 A): 4 out of 12 assignments used, quality = 1.00: * HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 99 99 100 100 2.3-3.0 3.0=100 HD2 LYS 24 - HE2 LYS 95 far 5 100 5 - 4.3-36.7 HD3 LYS 24 - HE2 LYS 95 far 5 99 5 - 5.3-37.9 HB2 LEU 98 - HE2 LYS 95 far 5 95 5 - 5.2-8.9 HB2 LEU 98 - HE3 LYS 95 far 5 94 5 - 4.3-9.0 HD2 LYS 24 - HE3 LYS 95 far 0 100 0 - 5.8-36.5 HD3 LYS 24 - HE3 LYS 95 far 0 99 0 - 6.8-37.4 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 7.5-11.1 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 3040 from aliabs.peaks (2.87, 2.87, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 Peak 3041 from aliabs.peaks (2.87, 2.87, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 Reference assignment not found: HE3 LYS 95 - HE2 LYS 95 Peak 3042 from aliabs.peaks (8.28, 2.87, 41.80 ppm; 6.80 A): 4 out of 9 assignments used, quality = 1.00: * H LEU 96 + HE2 LYS 95 OK 100 100 100 100 4.8-6.3 3.1/3032=48, 3.6/3033=48...(16) H LEU 96 + HE3 LYS 95 OK 100 100 100 100 4.5-6.3 3.1/3032=48, 3.6/3033=48...(16) H SER 99 + HE2 LYS 95 OK 57 90 80 79 6.6-8.4 2960/6.4=32, 7386/6.7=17...(8) H SER 99 + HE3 LYS 95 OK 42 90 60 79 5.1-9.5 2960/6.4=32, 7386/6.7=17...(8) H VAL 126 - HE3 LYS 95 far 10 100 10 - 8.1-11.3 H VAL 126 - HE2 LYS 95 far 5 100 5 - 6.7-11.4 H LEU 123 - HE2 LYS 95 far 0 99 0 - 9.0-13.2 H LEU 123 - HE3 LYS 95 far 0 98 0 - 9.4-14.2 H ALA 29 - HE2 LYS 95 far 0 65 0 - 9.4-28.1 Violated in 0 structures by 0.00 A. Peak 3043 from aliabs.peaks (7.70, 2.87, 41.80 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.5-4.8 6.7=100 H LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.7-5.2 6.7=100 H GLN 101 - HE3 LYS 95 far 0 93 0 - 8.9-11.9 H GLN 101 - HE2 LYS 95 far 0 93 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 3044 from aliabs.peaks (4.02, 2.87, 41.80 ppm; 4.68 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 95 + HE3 LYS 95 OK 99 100 100 99 2.4-5.0 6.4=39, 2958/1.8=31...(24) HA LYS 95 + HE2 LYS 95 OK 99 100 100 99 2.8-4.5 6.4=39, 2958/1.8=31...(24) HA LEU 96 - HE2 LYS 95 far 3 60 5 - 6.0-8.1 HA LEU 96 - HE3 LYS 95 far 0 60 0 - 6.2-8.7 HA LEU 122 - HE3 LYS 95 far 0 92 0 - 6.2-10.9 HA LEU 122 - HE2 LYS 95 far 0 91 0 - 6.5-10.4 HB3 SER 99 - HE3 LYS 95 far 0 65 0 - 7.1-11.7 HB3 SER 124 - HE2 LYS 95 far 0 95 0 - 7.1-12.6 HB3 SER 99 - HE2 LYS 95 far 0 65 0 - 7.7-11.0 HB3 SER 124 - HE3 LYS 95 far 0 96 0 - 8.9-13.2 Violated in 0 structures by 0.00 A. Peak 3045 from aliabs.peaks (1.94, 2.87, 41.80 ppm; 5.03 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=85, 3.0/3044=36...(23) HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=85, 3.0/3044=36...(22) HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=85, 3.0/3044=36...(23) HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=85, 3.0/3044=36...(23) HB2 ARG 90 - HE2 LYS 95 far 0 73 0 - 6.8-12.9 HB3 ARG 90 - HE3 LYS 95 far 0 93 0 - 6.9-12.3 HB3 ARG 90 - HE2 LYS 95 far 0 93 0 - 6.9-12.1 HB2 ARG 90 - HE3 LYS 95 far 0 73 0 - 7.0-12.9 HB2 GLN 27 - HE2 LYS 95 far 0 62 0 - 7.4-31.8 HB2 GLN 27 - HE3 LYS 95 far 0 63 0 - 8.7-31.0 Violated in 0 structures by 0.00 A. Peak 3046 from aliabs.peaks (1.94, 2.87, 41.80 ppm; 5.03 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.0-5.4 5.3=85, 3.0/3044=36...(22) HB2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.2-4.6 5.3=85, 3.0/3044=36...(23) HB3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-5.1 5.3=85, 3.0/3044=36...(23) HB2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 5.3=85, 3.0/3044=36...(23) HB2 ARG 90 - HE2 LYS 95 far 0 65 0 - 6.8-12.9 HB3 ARG 90 - HE3 LYS 95 far 0 97 0 - 6.9-12.3 HB3 ARG 90 - HE2 LYS 95 far 0 96 0 - 6.9-12.1 HB2 ARG 90 - HE3 LYS 95 far 0 65 0 - 7.0-12.9 HB2 GLN 27 - HE2 LYS 95 far 0 70 0 - 7.4-31.8 HB2 GLN 27 - HE3 LYS 95 far 0 71 0 - 8.7-31.0 Violated in 0 structures by 0.00 A. Peak 3047 from aliabs.peaks (1.39, 2.87, 41.80 ppm; 4.73 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 QB ALA 110 - HE3 LYS 95 far 5 99 5 - 5.9-25.2 QB ALA 108 - HE3 LYS 95 far 5 98 5 - 5.9-22.4 HG LEU 96 - HE2 LYS 95 far 0 98 0 - 6.3-10.3 HB2 LEU 96 - HE2 LYS 95 far 0 98 0 - 6.5-9.1 HG LEU 96 - HE3 LYS 95 far 0 98 0 - 6.5-10.0 QB ALA 110 - HE2 LYS 95 far 0 99 0 - 6.5-24.9 QB ALA 108 - HE2 LYS 95 far 0 98 0 - 7.0-21.6 HB2 LEU 96 - HE3 LYS 95 far 0 99 0 - 7.2-9.9 HG2 LYS 24 - HE2 LYS 95 far 0 95 0 - 7.3-36.9 QB ALA 28 - HE2 LYS 95 far 0 100 0 - 7.5-24.0 QB ALA 28 - HE3 LYS 95 far 0 100 0 - 8.1-23.7 HG2 LYS 24 - HE3 LYS 95 far 0 96 0 - 8.8-36.3 HB3 LEU 100 - HE3 LYS 95 far 0 92 0 - 9.4-14.3 HB3 LEU 100 - HE2 LYS 95 far 0 91 0 - 9.7-13.0 QB ALA 29 - HE2 LYS 95 far 0 97 0 - 9.8-21.3 QB ALA 109 - HE3 LYS 95 far 0 100 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 3048 from aliabs.peaks (1.39, 2.87, 41.80 ppm; 4.73 A): 4 out of 20 assignments used, quality = 1.00: * HG3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.9-3.7 3.7=100 HG3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.1-4.2 3.7=100 HG2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.1-4.1 3.7=100 HG2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 3.1-3.7 3.7=100 QB ALA 110 - HE3 LYS 95 far 5 100 5 - 5.9-25.2 QB ALA 108 - HE3 LYS 95 far 5 99 5 - 5.9-22.4 HG LEU 96 - HE2 LYS 95 far 0 95 0 - 6.3-10.3 HB2 LEU 96 - HE2 LYS 95 far 0 99 0 - 6.5-9.1 HG LEU 96 - HE3 LYS 95 far 0 96 0 - 6.5-10.0 QB ALA 110 - HE2 LYS 95 far 0 100 0 - 6.5-24.9 QB ALA 108 - HE2 LYS 95 far 0 99 0 - 7.0-21.6 HB2 LEU 96 - HE3 LYS 95 far 0 100 0 - 7.2-9.9 HG2 LYS 24 - HE2 LYS 95 far 0 98 0 - 7.3-36.9 QB ALA 28 - HE2 LYS 95 far 0 100 0 - 7.5-24.0 QB ALA 28 - HE3 LYS 95 far 0 100 0 - 8.1-23.7 HG2 LYS 24 - HE3 LYS 95 far 0 98 0 - 8.8-36.3 HB3 LEU 100 - HE3 LYS 95 far 0 96 0 - 9.4-14.3 HB3 LEU 100 - HE2 LYS 95 far 0 95 0 - 9.7-13.0 QB ALA 29 - HE2 LYS 95 far 0 99 0 - 9.8-21.3 QB ALA 109 - HE3 LYS 95 far 0 100 0 - 10.0-23.8 Violated in 0 structures by 0.00 A. Peak 3049 from aliabs.peaks (1.65, 2.87, 41.80 ppm; 3.89 A): 4 out of 12 assignments used, quality = 1.00: * HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 99 99 100 100 2.2-3.0 3.0=100 HD3 LYS 24 - HE2 LYS 95 far 5 100 5 - 5.3-37.9 HD2 LYS 24 - HE2 LYS 95 far 5 99 5 - 4.3-36.7 HB2 LEU 98 - HE3 LYS 95 far 5 99 5 - 4.3-9.0 HB2 LEU 98 - HE2 LYS 95 far 5 98 5 - 5.2-8.9 HD2 LYS 24 - HE3 LYS 95 far 0 99 0 - 5.8-36.5 HD3 LYS 24 - HE3 LYS 95 far 0 100 0 - 6.8-37.4 QB ALA 88 - HE3 LYS 95 far 0 98 0 - 7.5-11.1 QB ALA 88 - HE2 LYS 95 far 0 98 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 3050 from aliabs.peaks (1.66, 2.87, 41.80 ppm; 3.89 A): 4 out of 12 assignments used, quality = 1.00: * HD3 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HE2 LYS 95 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 95 + HE3 LYS 95 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 95 + HE2 LYS 95 OK 99 99 100 100 2.5-3.0 3.0=100 HD2 LYS 24 - HE2 LYS 95 far 5 100 5 - 4.3-36.7 HD3 LYS 24 - HE2 LYS 95 far 5 99 5 - 5.3-37.9 HB2 LEU 98 - HE3 LYS 95 far 5 95 5 - 4.3-9.0 HB2 LEU 98 - HE2 LYS 95 far 5 94 5 - 5.2-8.9 HD2 LYS 24 - HE3 LYS 95 far 0 100 0 - 5.8-36.5 HD3 LYS 24 - HE3 LYS 95 far 0 99 0 - 6.8-37.4 QB ALA 88 - HE3 LYS 95 far 0 100 0 - 7.5-11.1 QB ALA 88 - HE2 LYS 95 far 0 100 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 3051 from aliabs.peaks (2.87, 2.87, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Reference assignment not found: HE2 LYS 95 - HE3 LYS 95 Peak 3052 from aliabs.peaks (2.87, 2.87, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Peak 3053 from aliabs.peaks (8.28, 2.87, 41.80 ppm; 6.80 A): 4 out of 9 assignments used, quality = 1.00: * H LEU 96 + HE3 LYS 95 OK 100 100 100 100 4.5-6.3 3.1/3032=48, 3.6/3044=48...(16) H LEU 96 + HE2 LYS 95 OK 100 100 100 100 4.8-6.3 3.1/3032=48, 3.6/3044=48...(16) H SER 99 + HE2 LYS 95 OK 56 90 80 79 6.6-8.4 2960/6.4=32, 7386/6.7=17...(8) H SER 99 + HE3 LYS 95 OK 43 90 60 79 5.1-9.5 2960/6.4=32, 7386/6.7=17...(8) H VAL 126 - HE3 LYS 95 far 10 100 10 - 8.1-11.3 H VAL 126 - HE2 LYS 95 far 5 100 5 - 6.7-11.4 H LEU 123 - HE2 LYS 95 far 0 98 0 - 9.0-13.2 H LEU 123 - HE3 LYS 95 far 0 99 0 - 9.4-14.2 H ALA 29 - HE2 LYS 95 far 0 65 0 - 9.4-28.1 Violated in 0 structures by 0.00 A. Peak 3054 from aliabs.peaks (8.28, 4.05, 58.64 ppm; 5.27 A): 9 out of 20 assignments used, quality = 1.00: * H LEU 96 + HA LEU 96 OK 100 100 100 100 2.7-2.9 2.9=100 H VAL 126 + HA LEU 96 OK 100 100 100 100 3.0-5.7 4021/11689=63...(31) H SER 99 + HA LEU 96 OK 90 90 100 99 3.7-4.8 7337/3.6=37, 3.7/3214=35...(33) H LEU 123 + HA LEU 96 OK 90 99 100 91 4.8-6.2 3.3/3855=31, 7742=21...(22) H LEU 96 + HA LEU 122 OK 73 73 100 99 4.0-5.7 7310=23, ~3855=22...(44) H VAL 126 + HA LEU 122 OK 72 73 100 99 3.1-4.3 3916/4.9=55...(22) H LEU 123 + HA LEU 122 OK 70 70 100 100 3.5-3.6 3.6=100 H LEU 43 + HA GLU 44 OK 62 64 100 98 5.1-5.4 6535/3.6=72, 1254/3.0=38...(13) H SER 99 + HA LEU 122 OK 57 60 100 94 4.1-6.7 3.7/3214=35, 3.7/3208=35...(25) H LEU 49 - HA GLU 44 poor 13 43 30 - 6.4-7.4 H ALA 29 - HA GLU 44 far 4 39 10 - 6.1-22.5 H GLU 30 - HA GLU 44 far 0 68 0 - 7.0-22.0 H SER 99 - HA GLU 102 far 0 68 0 - 7.1-7.9 H LEU 69 - HA LEU 122 far 0 48 0 - 7.7-12.4 H GLU 40 - HA GLU 44 far 0 64 0 - 8.3-9.8 H ARG 23 - HA GLU 102 far 0 71 0 - 8.9-36.4 H ASP 131 - HA GLU 44 far 0 70 0 - 9.0-11.0 H LEU 69 - HA LEU 96 far 0 76 0 - 9.4-11.2 H ALA 29 - HA LEU 96 far 0 65 0 - 9.8-20.6 H LEU 69 - HA GLU 44 far 0 46 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 3055 from aliabs.peaks (4.05, 4.05, 58.64 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LEU 96 + HA LEU 96 OK 100 100 - 100 HA GLU 102 + HA GLU 102 OK 80 80 - 100 HA GLU 44 + HA GLU 44 OK 64 64 - 100 HA LEU 122 + HA LEU 122 OK 63 63 - 100 Peak 3056 from aliabs.peaks (1.38, 4.05, 58.64 ppm; 5.06 A): 8 out of 39 assignments used, quality = 1.00: * HB2 LEU 96 + HA LEU 96 OK 100 100 100 100 2.2-2.7 3.0=100 HB3 LEU 100 + HA LEU 96 OK 93 99 100 94 3.4-6.5 3241/3.6=29, 3240/5.0=23...(27) HG3 LYS 95 + HA LEU 96 OK 92 100 95 97 3.9-6.6 4.6/7291=22, ~7316=22...(34) HG LEU 96 + HA LEU 96 OK 89 89 100 100 3.5-3.8 3.7=100 HB2 LEU 96 + HA LEU 122 OK 73 73 100 99 1.8-5.9 3067=30, 10337/3.9=24...(51) HB3 LEU 100 + HA LEU 122 OK 70 71 100 99 3.9-5.5 10337/3.9=37...(40) HG2 LYS 95 + HA LEU 96 OK 67 99 70 97 4.9-6.7 4.6/7291=22, ~7316=22...(33) HG LEU 96 + HA LEU 122 OK 55 59 100 93 3.4-6.4 3.0/3067=22, 3084=20...(29) QB ALA 29 - HA GLU 44 poor 14 71 30 66 4.2-17.7 10948/3.7=64, 205/6575=2 HG3 LYS 95 - HA LEU 122 far 11 72 15 - 5.3-9.0 QB ALA 108 - HA GLU 102 far 8 82 10 - 5.9-11.4 QB ALA 28 - HA GLU 44 far 7 70 10 - 5.1-20.4 HG2 LYS 95 - HA LEU 122 far 7 70 10 - 6.0-9.0 HG3 LYS 26 - HA GLU 102 far 4 82 5 - 4.8-28.7 QB ALA 110 - HA LEU 122 far 4 73 5 - 5.6-18.4 QB ALA 110 - HA GLU 102 far 0 81 0 - 6.7-16.3 QB ALA 110 - HA LEU 96 far 0 100 0 - 6.9-19.0 HG3 LYS 26 - HA GLU 44 far 0 71 0 - 7.3-29.1 QB ALA 108 - HA LEU 96 far 0 100 0 - 7.4-16.7 HB2 LEU 42 - HA GLU 44 far 0 68 0 - 7.5-8.4 QB ALA 15 - HA GLU 44 far 0 71 0 - 7.5-30.6 QB ALA 12 - HA GLU 44 far 0 50 0 - 7.5-32.3 QB ALA 108 - HA LEU 122 far 0 73 0 - 7.5-15.8 HG3 LYS 31 - HA GLU 44 far 0 70 0 - 7.6-24.3 QB ALA 29 - HA GLU 102 far 0 81 0 - 7.7-18.3 QB ALA 109 - HA GLU 102 far 0 79 0 - 7.7-13.7 HB3 LEU 100 - HA GLU 102 far 0 79 0 - 8.0-8.3 HG2 LYS 19 - HA GLU 44 far 0 66 0 - 8.6-38.6 QB ALA 28 - HA GLU 102 far 0 81 0 - 8.6-22.4 QB ALA 29 - HA LEU 96 far 0 100 0 - 8.8-16.5 HG2 LYS 36 - HA GLU 44 far 0 71 0 - 8.8-16.1 QB ALA 16 - HA GLU 44 far 0 65 0 - 8.9-28.4 QB ALA 16 - HA GLU 102 far 0 75 0 - 8.9-36.9 QB ALA 15 - HA GLU 102 far 0 82 0 - 9.0-38.4 HG2 LYS 24 - HA GLU 44 far 0 70 0 - 9.4-29.7 QB ALA 12 - HA GLU 102 far 0 59 0 - 9.7-40.2 HG2 LYS 24 - HA LEU 96 far 0 100 0 - 9.8-30.4 QB ALA 109 - HA LEU 122 far 0 71 0 - 9.8-16.1 HG2 LYS 24 - HA LEU 122 far 0 73 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 3057 from aliabs.peaks (2.24, 4.05, 58.64 ppm; 4.62 A): 5 out of 23 assignments used, quality = 1.00: * HB3 LEU 96 + HA LEU 96 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 LEU 96 + HA LEU 122 OK 72 73 100 98 2.8-5.7 1.8/3067=23, ~3855=16...(55) HB3 GLU 102 + HA GLU 102 OK 71 71 100 100 2.3-3.0 3.0=100 HB VAL 105 + HA GLU 102 OK 38 55 70 100 4.1-7.5 2.1/10086=72, 3465=65...(13) HG2 GLU 97 + HA LEU 96 OK 35 100 35 99 5.1-6.7 3133/3.6=67, 3134/5.0=51...(21) HB3 GLN 104 - HA GLU 102 poor 16 63 25 - 5.7-7.8 HB3 GLU 97 - HA LEU 96 far 0 76 0 - 6.3-6.6 HB3 GLU 97 - HA GLU 102 far 0 55 0 - 6.6-9.6 HG2 GLU 97 - HA LEU 122 far 0 73 0 - 6.8-9.0 HB3 GLU 128 - HA LEU 96 far 0 97 0 - 7.2-9.6 HB3 GLU 97 - HA LEU 122 far 0 48 0 - 7.4-8.8 HB3 GLN 127 - HA LEU 122 far 0 54 0 - 7.5-9.9 HB3 GLN 104 - HA LEU 122 far 0 56 0 - 7.6-14.1 HB3 GLU 128 - HA LEU 122 far 0 67 0 - 7.7-9.5 HB3 GLN 104 - HA LEU 96 far 0 85 0 - 7.9-14.4 HG2 GLU 97 - HA GLU 102 far 0 82 0 - 8.1-10.0 HB3 GLN 127 - HA LEU 96 far 0 83 0 - 8.2-11.8 HB3 GLN 127 - HA GLU 44 far 0 52 0 - 8.8-11.6 HB3 GLU 102 - HA LEU 122 far 0 63 0 - 8.8-12.2 HB3 GLU 102 - HA LEU 96 far 0 93 0 - 9.0-11.5 HG2 GLN 68 - HA LEU 122 far 0 41 0 - 9.1-16.2 HG2 GLN 68 - HA GLU 44 far 0 39 0 - 9.3-14.2 HG2 GLU 30 - HA GLU 44 far 0 37 0 - 10.0-25.1 Violated in 0 structures by 0.00 A. Peak 3058 from aliabs.peaks (1.40, 4.05, 58.64 ppm; 5.06 A): 8 out of 38 assignments used, quality = 1.00: * HG LEU 96 + HA LEU 96 OK 100 100 100 100 3.5-3.8 3.7=100 HB2 LEU 96 + HA LEU 96 OK 89 89 100 100 2.2-2.7 3.0=100 HG3 LYS 95 + HA LEU 96 OK 88 96 95 97 3.9-6.6 4.6/7291=22, ~7316=22...(34) HG LEU 96 + HA LEU 122 OK 69 73 100 95 3.4-6.4 3084=24, 3.0/3067=22...(29) HB3 LEU 100 + HA LEU 96 OK 67 73 100 91 3.4-6.5 3.9/7388=22...(28) HG2 LYS 95 + HA LEU 96 OK 67 98 70 97 4.9-6.7 4.6/7291=22, ~7316=22...(33) HB2 LEU 96 + HA LEU 122 OK 58 59 100 99 1.8-5.9 3067=25, 10337/3.9=24...(50) HB3 LEU 100 + HA LEU 122 OK 46 46 100 99 3.9-5.5 10337/3.9=30, ~3870=19...(40) QB ALA 29 - HA GLU 44 poor 16 53 30 - 4.2-17.7 HG3 LYS 95 - HA LEU 122 far 10 66 15 - 5.3-9.0 HG2 LYS 95 - HA LEU 122 far 7 69 10 - 6.0-9.0 QB ALA 108 - HA GLU 102 far 6 65 10 - 5.9-11.4 QB ALA 28 - HA GLU 44 far 6 62 10 - 5.1-20.4 HG3 LYS 26 - HA GLU 102 far 3 68 5 - 4.8-28.7 QB ALA 110 - HA LEU 122 far 3 62 5 - 5.6-18.4 QB ALA 110 - HA GLU 102 far 0 70 0 - 6.7-16.3 QB ALA 110 - HA LEU 96 far 0 92 0 - 6.9-19.0 HG3 LYS 26 - HA GLU 44 far 0 58 0 - 7.3-29.1 QB ALA 108 - HA LEU 96 far 0 87 0 - 7.4-16.7 HB2 LEU 42 - HA GLU 44 far 0 45 0 - 7.5-8.4 QB ALA 15 - HA GLU 44 far 0 58 0 - 7.5-30.6 QB ALA 108 - HA LEU 122 far 0 57 0 - 7.5-15.8 HG3 LYS 31 - HA GLU 44 far 0 64 0 - 7.6-24.3 QB ALA 29 - HA GLU 102 far 0 63 0 - 7.7-18.3 QB ALA 109 - HA GLU 102 far 0 76 0 - 7.7-13.7 HB3 LEU 100 - HA GLU 102 far 0 53 0 - 8.0-8.3 HG2 LYS 19 - HA GLU 44 far 0 39 0 - 8.6-38.6 QB ALA 28 - HA GLU 102 far 0 73 0 - 8.6-22.4 QB ALA 29 - HA LEU 96 far 0 85 0 - 8.8-16.5 HG2 LYS 36 - HA GLU 44 far 0 57 0 - 8.8-16.1 QB ALA 16 - HA GLU 44 far 0 69 0 - 8.9-28.4 QB ALA 16 - HA GLU 102 far 0 80 0 - 8.9-36.9 QB ALA 15 - HA GLU 102 far 0 68 0 - 9.0-38.4 HG2 LYS 24 - HA GLU 44 far 0 50 0 - 9.4-29.7 QB ALA 34 - HA GLU 44 far 0 57 0 - 9.7-13.9 HG2 LYS 24 - HA LEU 96 far 0 81 0 - 9.8-30.4 QB ALA 109 - HA LEU 122 far 0 68 0 - 9.8-16.1 HG2 LYS 24 - HA LEU 122 far 0 52 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 3059 from aliabs.peaks (0.75, 4.05, 58.64 ppm; 4.55 A): 6 out of 18 assignments used, quality = 1.00: * QD2 LEU 96 + HA LEU 96 OK 100 100 100 100 3.4-4.1 4.0=100 QD1 LEU 96 + HA LEU 96 OK 73 73 100 100 2.9-4.1 4.0=100 QD2 LEU 43 + HA GLU 44 OK 69 70 100 100 4.8-6.0 1390/2.8=69...(16) QD2 LEU 96 + HA LEU 122 OK 62 73 95 89 3.1-6.1 3386/3.0=18, 3.2/3067=18...(25) QG1 VAL 93 + HA LEU 96 OK 35 100 35 100 5.5-7.0 11432/2.9=63, ~11425=43...(32) QD1 LEU 96 + HA LEU 122 OK 32 46 85 81 3.5-6.5 3.2/3067=18, 3.2/3331=16...(22) QD1 ILE 32 - HA GLU 44 poor 16 53 30 - 4.4-15.1 HG12 ILE 129 - HA LEU 96 far 10 100 10 - 5.9-9.1 QD2 LEU 103 - HA GLU 102 far 7 68 10 - 5.9-7.1 QD2 LEU 103 - HA LEU 122 far 6 60 10 - 5.9-8.8 QG1 VAL 93 - HA LEU 122 far 0 73 0 - 6.4-8.7 QD2 LEU 103 - HA LEU 96 far 0 90 0 - 6.9-10.3 HG12 ILE 129 - HA LEU 122 far 0 73 0 - 7.0-9.9 QD1 ILE 37 - HA GLU 44 far 0 53 0 - 7.2-12.4 QD1 LEU 96 - HA GLU 102 far 0 53 0 - 7.8-11.3 QD2 LEU 96 - HA GLU 102 far 0 82 0 - 8.7-12.1 QD1 ILE 32 - HA GLU 102 far 0 63 0 - 9.7-18.8 QD1 ILE 37 - HA LEU 122 far 0 56 0 - 10.0-16.0 Violated in 0 structures by 0.00 A. Peak 3060 from aliabs.peaks (0.77, 4.05, 58.64 ppm; 4.15 A): 6 out of 32 assignments used, quality = 1.00: * QD1 LEU 96 + HA LEU 96 OK 100 100 100 100 2.9-4.1 4.0=100 QD2 LEU 122 + HA LEU 96 OK 86 95 95 96 1.9-5.7 3901=28, 10337/3.0=19...(39) QD2 LEU 96 + HA LEU 96 OK 73 73 100 100 3.4-4.1 4.0=100 QD2 LEU 122 + HA LEU 122 OK 65 65 100 100 2.1-4.1 3.9=100 QD1 LEU 96 + HA LEU 122 OK 46 73 75 84 3.5-6.5 9987/3994=18...(25) QD2 LEU 96 + HA LEU 122 OK 25 46 70 78 3.1-6.1 3.2/3067=15, 3.2/3331=13...(24) QD1 ILE 32 - HA GLU 44 poor 14 70 20 - 4.4-15.1 QD1 LEU 53 - HA LEU 122 far 5 54 10 - 5.0-8.5 QD2 LEU 43 - HA GLU 44 far 5 35 15 - 4.8-6.0 QD1 LEU 103 - HA GLU 102 far 4 78 5 - 5.1-6.7 QG1 VAL 93 - HA LEU 96 far 4 76 5 - 5.5-7.0 QD2 LEU 49 - HA LEU 122 far 2 46 5 - 5.2-8.8 QD1 LEU 53 - HA LEU 96 far 0 83 0 - 5.7-10.4 HG12 ILE 129 - HA LEU 96 far 0 65 0 - 5.9-9.1 QG1 VAL 63 - HA GLU 102 far 0 77 0 - 6.1-8.7 QD2 LEU 49 - HA LEU 96 far 0 73 0 - 6.4-8.7 QG1 VAL 93 - HA LEU 122 far 0 48 0 - 6.4-8.7 QD2 LEU 49 - HA GLU 44 far 0 45 0 - 6.8-8.4 HG12 ILE 129 - HA LEU 122 far 0 41 0 - 7.0-9.9 QD1 ILE 37 - HA GLU 44 far 0 70 0 - 7.2-12.4 QD2 LEU 119 - HA LEU 122 far 0 60 0 - 7.2-9.1 QD1 LEU 103 - HA LEU 122 far 0 70 0 - 7.3-10.0 QD2 LEU 122 - HA GLU 102 far 0 73 0 - 7.7-10.3 QD1 LEU 96 - HA GLU 102 far 0 82 0 - 7.8-11.3 QG1 VAL 63 - HA LEU 122 far 0 69 0 - 8.0-10.9 QD1 LEU 103 - HA LEU 96 far 0 99 0 - 8.1-10.5 QD2 LEU 119 - HA LEU 96 far 0 90 0 - 8.6-10.9 QD2 LEU 96 - HA GLU 102 far 0 53 0 - 8.7-12.1 QG1 VAL 63 - HA LEU 96 far 0 98 0 - 8.7-10.8 QD1 ILE 32 - HA GLU 102 far 0 80 0 - 9.7-18.8 QD2 LEU 119 - HA GLU 102 far 0 68 0 - 9.8-12.9 QD1 ILE 37 - HA LEU 122 far 0 72 0 - 10.0-16.0 Violated in 0 structures by 0.00 A. Peak 3061 from aliabs.peaks (8.50, 4.05, 58.64 ppm; 4.85 A): 4 out of 7 assignments used, quality = 1.00: * H GLU 97 + HA LEU 96 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 100 + HA LEU 96 OK 97 98 100 99 3.0-5.0 7388=34, 3073/3.0=29...(28) H LEU 100 + HA LEU 122 OK 67 69 100 97 3.9-5.2 7395/3214=26...(34) H GLU 97 + HA LEU 122 OK 61 73 100 83 5.1-6.0 9998/3.0=22, 4.4/3067=16...(20) H LEU 100 - HA GLU 102 far 0 77 0 - 6.6-7.0 H HIS 4 - HA GLU 44 far 0 58 0 - 8.0-64.5 H GLU 97 - HA GLU 102 far 0 82 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 3062 from aliabs.peaks (8.29, 4.05, 58.64 ppm; 4.89 A): 9 out of 21 assignments used, quality = 1.00: * H SER 99 + HA LEU 96 OK 99 100 100 99 3.7-4.8 7350/3.6=36, 7372=33...(32) H VAL 126 + HA LEU 96 OK 95 96 100 99 3.0-5.7 4.0/11689=56...(28) H LEU 96 + HA LEU 96 OK 90 90 100 100 2.7-2.9 2.9=100 H LEU 43 + HA GLU 44 OK 68 70 100 97 5.1-5.4 6535/3.6=67, 1254/3.0=33...(14) H SER 99 + HA LEU 122 OK 65 73 95 93 4.1-6.7 3.7/3208=31, 3.7/3214=31...(23) H VAL 126 + HA LEU 122 OK 65 66 100 98 3.1-4.3 3916/4.9=45...(22) H LEU 123 + HA LEU 96 OK 62 73 100 85 4.8-6.2 3.3/3855=28...(20) H LEU 96 + HA LEU 122 OK 59 60 100 97 4.0-5.7 7310=20, ~3855=19...(44) H LEU 123 + HA LEU 122 OK 46 46 100 100 3.5-3.6 3.6=100 H LEU 49 - HA GLU 44 far 3 67 5 - 6.4-7.4 H GLU 30 - HA GLU 44 far 0 45 0 - 7.0-22.0 H SER 99 - HA GLU 102 far 0 82 0 - 7.1-7.9 H LEU 69 - HA LEU 122 far 0 71 0 - 7.7-12.4 H GLU 40 - HA GLU 44 far 0 70 0 - 8.3-9.8 H ALA 110 - HA GLU 102 far 0 53 0 - 8.7-16.9 H ALA 110 - HA LEU 122 far 0 46 0 - 8.7-19.7 H ASP 131 - HA GLU 44 far 0 53 0 - 9.0-11.0 H LEU 69 - HA LEU 96 far 0 99 0 - 9.4-11.2 H TYR 72 - HA LEU 122 far 0 35 0 - 9.7-13.2 H LEU 69 - HA GLU 44 far 0 68 0 - 10.0-12.1 H ALA 21 - HA GLU 102 far 0 59 0 - 10.0-40.8 Violated in 0 structures by 0.00 A. Peak 3063 from aliabs.peaks (3.76, 4.05, 58.64 ppm; 5.28 A): 5 out of 9 assignments used, quality = 1.00: HA GLU 97 + HA LEU 96 OK 100 100 100 100 4.6-4.8 5.0=100 * HB2 SER 99 + HA LEU 96 OK 97 100 100 97 2.8-5.2 1.8/3214=46, 3208=44...(23) HB2 SER 99 + HA LEU 122 OK 73 73 100 100 2.9-5.7 1.8/3214=46, 3208=44...(32) HA LEU 43 + HA GLU 44 OK 58 58 100 100 4.7-4.8 4.9=100 HA GLU 97 + HA LEU 122 OK 58 73 100 79 5.1-6.8 3115/3.0=24, ~9998=16...(17) HB3 SER 130 - HA GLU 44 poor 19 65 30 - 5.6-7.9 HA GLU 97 - HA GLU 102 far 0 82 0 - 7.0-8.8 HA SER 130 - HA GLU 44 far 0 64 0 - 7.6-9.8 HB2 SER 99 - HA GLU 102 far 0 82 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 3064 from aliabs.peaks (4.00, 4.05, 58.64 ppm; 4.74 A): 6 out of 31 assignments used, quality = 1.00: * HB3 SER 99 + HA LEU 96 OK 94 100 100 94 3.2-5.5 3214=49, 1.8/3208=40...(19) HB3 SER 99 + HA LEU 122 OK 73 73 100 99 2.4-5.6 3214=51, 1.8/3208=41...(20) HA LEU 103 + HA GLU 102 OK 66 66 100 99 4.6-5.0 3.6/7484=75, ~7469=40...(17) HA LYS 95 + HA LEU 96 OK 65 65 100 99 4.7-4.9 4.9=89, 2.9/7291=27...(30) HB3 SER 124 + HA LEU 122 OK 54 62 95 91 5.0-6.3 3974/4.9=47...(12) HB2 SER 124 + HA LEU 122 OK 45 70 75 87 5.4-6.9 3968/4.9=53, 4.0/7760=27...(11) HB3 SER 106 - HA GLU 102 poor 19 65 40 72 5.0-9.9 4.0/11781=41...(8) HB3 SER 124 - HA LEU 96 far 14 92 15 - 6.1-8.2 HA LYS 95 - HA LEU 122 poor 7 41 50 34 5.1-7.7 3.6/7310=14, 3.0/2976=4...(11) HB2 SER 124 - HA LEU 96 far 5 99 5 - 6.2-8.3 HA LEU 119 - HA LEU 122 far 2 39 5 - 5.9-7.0 HA LEU 119 - HA LEU 96 far 0 63 0 - 6.4-9.4 HA ILE 37 - HA GLU 44 far 0 46 0 - 7.3-11.5 HB3 SER 94 - HA LEU 96 far 0 71 0 - 7.6-8.1 HB3 SER 51 - HA GLU 44 far 0 58 0 - 7.7-10.1 HB3 SER 99 - HA GLU 102 far 0 82 0 - 7.9-8.7 HA GLN 127 - HA GLU 44 far 0 35 0 - 8.0-10.2 HA GLN 127 - HA LEU 96 far 0 60 0 - 8.3-10.9 HB3 SER 94 - HA LEU 122 far 0 45 0 - 8.3-10.3 HA GLN 127 - HA LEU 122 far 0 37 0 - 8.3-9.4 HA GLU 91 - HA LEU 96 far 0 73 0 - 8.9-10.1 HA VAL 20 - HA GLU 102 far 0 79 0 - 8.9-39.2 HA LEU 103 - HA LEU 122 far 0 59 0 - 9.1-11.6 HA THR 65 - HA LEU 122 far 0 41 0 - 9.3-14.0 HA SER 50 - HA LEU 122 far 0 73 0 - 9.3-10.9 HA THR 65 - HA GLU 44 far 0 39 0 - 9.4-12.8 HA LEU 103 - HA LEU 96 far 0 89 0 - 9.5-11.7 HA GLU 91 - HA LEU 122 far 0 46 0 - 9.5-12.8 HB2 SER 38 - HA GLU 44 far 0 69 0 - 9.6-11.1 HA SER 50 - HA GLU 44 far 0 71 0 - 9.7-10.5 HA LEU 119 - HA GLU 102 far 0 44 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 3065 from aliabs.peaks (3.25, 1.38, 40.82 ppm; 5.67 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + HB2 LEU 96 OK 100 100 100 100 2.1-4.3 11806/3.2=87...(48) Violated in 0 structures by 0.00 A. Peak 3066 from aliabs.peaks (8.28, 1.38, 40.82 ppm; 4.63 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.1-3.6 3.8=100 H VAL 126 + HB2 LEU 96 OK 97 100 100 97 1.9-4.6 ~11807=33, 3099/3.2=32...(25) H LEU 123 + HB2 LEU 96 OK 28 99 40 70 5.3-8.5 3.6/3067=17, 7742/3.0=14...(15) H SER 99 - HB2 LEU 96 poor 18 90 20 - 6.0-6.7 H LEU 69 - HB2 LEU 96 far 0 76 0 - 8.2-9.9 H ASP 131 - HB2 LEU 96 far 0 100 0 - 9.1-11.1 H ALA 29 - HB2 LEU 96 far 0 65 0 - 9.9-19.8 H LEU 49 - HB2 LEU 96 far 0 71 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 3067 from aliabs.peaks (4.05, 1.38, 40.82 ppm; 4.77 A): 4 out of 8 assignments used, quality = 1.00: * HA LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.2-2.7 3.0=100 HA LEU 122 + HB2 LEU 96 OK 92 93 100 99 1.8-5.9 3331/1.8=30...(51) HA ALA 92 + HB2 LEU 96 OK 89 100 95 94 4.7-7.1 4.9/3065=38...(20) HA LYS 95 + HB2 LEU 96 OK 23 60 40 95 5.5-6.6 ~9975=26, 2.9/7302=21...(43) HB3 SER 74 - HB2 LEU 96 far 5 99 5 - 6.3-10.3 HB2 SER 74 - HB2 LEU 96 far 0 100 0 - 7.2-9.2 HA LEU 119 - HB2 LEU 96 far 0 63 0 - 8.2-11.5 HB THR 65 - HB2 LEU 96 far 0 97 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 3068 from aliabs.peaks (1.38, 1.38, 40.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 96 + HB2 LEU 96 OK 100 100 - 100 Peak 3069 from aliabs.peaks (2.24, 1.38, 40.82 ppm; 4.69 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 96 + HB2 LEU 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 97 + HB2 LEU 96 OK 65 100 65 100 5.5-7.4 3133/4.4=57, 3102/3.2=33...(38) HB3 GLU 128 - HB2 LEU 96 far 5 97 5 - 6.1-9.2 HB3 GLU 97 - HB2 LEU 96 far 0 76 0 - 6.7-7.4 HB3 GLN 127 - HB2 LEU 96 far 0 83 0 - 7.6-10.2 HB3 GLN 104 - HB2 LEU 96 far 0 85 0 - 8.3-15.5 HG2 GLN 68 - HB2 LEU 96 far 0 65 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 3070 from aliabs.peaks (1.40, 1.38, 40.82 ppm; diagonal): 1 out of 1 assignment used, quality = 0.89: HB2 LEU 96 + HB2 LEU 96 OK 89 89 - 100 Reference assignment not found: HG LEU 96 - HB2 LEU 96 Peak 3071 from aliabs.peaks (0.75, 1.38, 40.82 ppm; 4.15 A): 4 out of 8 assignments used, quality = 1.00: * QD2 LEU 96 + HB2 LEU 96 OK 100 100 100 100 1.9-3.2 3.2=100 QG1 VAL 93 + HB2 LEU 96 OK 95 100 95 100 3.3-5.9 11432/3.8=45...(42) QD1 LEU 96 + HB2 LEU 96 OK 73 73 100 100 2.3-3.2 3.2=100 HG12 ILE 129 + HB2 LEU 96 OK 63 100 65 97 4.7-7.1 ~11354=32, ~11454=29...(29) QD2 LEU 103 - HB2 LEU 96 far 0 90 0 - 7.5-12.0 QD1 ILE 32 - HB2 LEU 96 far 0 85 0 - 9.4-13.7 QD1 ILE 37 - HB2 LEU 96 far 0 85 0 - 9.7-13.3 QD2 LEU 43 - HB2 LEU 96 far 0 100 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3072 from aliabs.peaks (0.77, 1.38, 40.82 ppm; 4.20 A): 5 out of 13 assignments used, quality = 1.00: * QD1 LEU 96 + HB2 LEU 96 OK 100 100 100 100 2.3-3.2 3.2=100 QD2 LEU 122 + HB2 LEU 96 OK 88 95 95 98 1.8-7.0 10337=29, 3901/3.0=20...(59) QD2 LEU 96 + HB2 LEU 96 OK 73 73 100 100 1.9-3.2 3.2=100 QG1 VAL 93 + HB2 LEU 96 OK 72 76 95 100 3.3-5.9 3.2/3065=36, ~9971=33...(41) HG12 ILE 129 + HB2 LEU 96 OK 41 65 65 97 4.7-7.1 ~11354=33, ~11454=29...(29) QD2 LEU 49 - HB2 LEU 96 poor 15 73 20 - 5.0-8.7 QD1 LEU 53 - HB2 LEU 96 far 0 83 0 - 6.0-9.6 QG1 VAL 63 - HB2 LEU 96 far 0 98 0 - 8.8-11.4 QD2 LEU 119 - HB2 LEU 96 far 0 90 0 - 9.2-12.7 QD1 ILE 32 - HB2 LEU 96 far 0 100 0 - 9.4-13.7 QD1 LEU 103 - HB2 LEU 96 far 0 99 0 - 9.4-11.5 QD1 ILE 37 - HB2 LEU 96 far 0 100 0 - 9.7-13.3 QD2 LEU 43 - HB2 LEU 96 far 0 60 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3073 from aliabs.peaks (8.50, 1.38, 40.82 ppm; 5.16 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 97 + HB2 LEU 96 OK 100 100 100 100 3.5-4.3 4.4=100 H LEU 100 + HB2 LEU 96 OK 92 98 95 99 5.1-7.0 3090/3.0=30, 3098/3.2=27...(42) H VAL 132 - HB2 LEU 96 far 0 73 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 3074 from aliabs.peaks (3.25, 2.24, 40.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + HB3 LEU 96 OK 100 100 100 100 1.9-4.5 3065/1.8=99...(49) Violated in 0 structures by 0.00 A. Peak 3075 from aliabs.peaks (8.28, 2.24, 40.82 ppm; 5.22 A): 4 out of 8 assignments used, quality = 1.00: * H LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.1-3.6 3.8=100 H VAL 126 + HB3 LEU 96 OK 100 100 100 100 2.8-4.6 ~11807=43, 3066/1.8=40...(30) H SER 99 + HB3 LEU 96 OK 84 90 95 98 5.8-6.7 7337/4.4=31, 7372/3.0=24...(34) H LEU 123 + HB3 LEU 96 OK 20 99 25 81 6.0-8.1 3.6/3057=21, ~3855=19...(18) H LEU 69 - HB3 LEU 96 far 0 76 0 - 7.1-10.3 H ALA 29 - HB3 LEU 96 far 0 65 0 - 8.9-20.7 H ASP 131 - HB3 LEU 96 far 0 100 0 - 9.0-11.8 H LEU 49 - HB3 LEU 96 far 0 71 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 3076 from aliabs.peaks (4.05, 2.24, 40.82 ppm; 5.74 A): 5 out of 8 assignments used, quality = 1.00: * HA LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.3-2.8 3.0=100 HA ALA 92 + HB3 LEU 96 OK 95 100 95 100 4.1-7.2 9942/11354=52...(24) HA LEU 122 + HB3 LEU 96 OK 93 93 100 100 2.8-5.7 3067/1.8=29, ~3855=25...(55) HA LYS 95 + HB3 LEU 96 OK 60 60 100 99 5.4-6.6 2.9/9975=44, ~3248=22...(38) HB2 SER 74 + HB3 LEU 96 OK 29 100 30 95 6.3-9.0 11130/3.2=42, ~11130=30...(18) HB3 SER 74 - HB3 LEU 96 poor 20 99 20 - 6.6-9.9 HA LEU 119 - HB3 LEU 96 far 0 63 0 - 8.8-11.4 HB THR 65 - HB3 LEU 96 far 0 97 0 - 8.9-14.4 Violated in 0 structures by 0.00 A. Peak 3077 from aliabs.peaks (1.38, 2.24, 40.82 ppm; 4.57 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 96 + HB3 LEU 96 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 96 + HB3 LEU 96 OK 89 89 100 100 2.5-3.0 3.0=100 HB3 LEU 100 + HB3 LEU 96 OK 29 99 30 96 3.5-7.7 ~11918=31, 3069=24...(32) HG3 LYS 95 - HB3 LEU 96 far 10 100 10 - 5.3-8.3 HG2 LYS 95 - HB3 LEU 96 far 10 99 10 - 4.4-8.4 QB ALA 29 - HB3 LEU 96 far 0 100 0 - 8.1-16.3 QB ALA 110 - HB3 LEU 96 far 0 100 0 - 8.8-20.3 QB ALA 108 - HB3 LEU 96 far 0 100 0 - 9.2-18.0 QB ALA 28 - HB3 LEU 96 far 0 100 0 - 9.7-17.5 Violated in 0 structures by 0.00 A. Peak 3078 from aliabs.peaks (2.24, 2.24, 40.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 96 + HB3 LEU 96 OK 100 100 - 100 Peak 3079 from aliabs.peaks (1.40, 2.24, 40.82 ppm; 5.21 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 96 + HB3 LEU 96 OK 89 89 100 100 1.8-1.8 1.8=100 HB3 LEU 100 + HB3 LEU 96 OK 43 73 60 98 3.5-7.7 ~11918=41, 3.9/3082=21...(32) HG2 LYS 95 - HB3 LEU 96 far 10 98 10 - 4.4-8.4 HG3 LYS 95 - HB3 LEU 96 far 10 96 10 - 5.3-8.3 QB ALA 29 - HB3 LEU 96 far 0 85 0 - 8.1-16.3 QB ALA 110 - HB3 LEU 96 far 0 92 0 - 8.8-20.3 QB ALA 108 - HB3 LEU 96 far 0 87 0 - 9.2-18.0 QB ALA 28 - HB3 LEU 96 far 0 95 0 - 9.7-17.5 Violated in 0 structures by 0.00 A. Peak 3080 from aliabs.peaks (0.75, 2.24, 40.82 ppm; 4.59 A): 4 out of 8 assignments used, quality = 1.00: * QD2 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.2-3.2 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 95 100 95 100 3.8-6.2 9973=58, 11432/3.8=55...(37) QD1 LEU 96 + HB3 LEU 96 OK 73 73 100 100 2.0-3.2 3.2=100 HG12 ILE 129 + HB3 LEU 96 OK 64 100 65 98 4.2-7.6 2.1/11354=50...(30) QD2 LEU 103 - HB3 LEU 96 far 0 90 0 - 7.5-11.0 QD1 ILE 32 - HB3 LEU 96 far 0 85 0 - 8.7-14.7 QD2 LEU 43 - HB3 LEU 96 far 0 100 0 - 9.7-12.0 QD1 ILE 37 - HB3 LEU 96 far 0 85 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 3081 from aliabs.peaks (0.77, 2.24, 40.82 ppm; 4.69 A): 5 out of 13 assignments used, quality = 1.00: * QD1 LEU 96 + HB3 LEU 96 OK 100 100 100 100 2.0-3.2 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 76 76 100 100 3.8-6.2 2.1/9971=56, 3.2/3074=38...(36) QD2 LEU 122 + HB3 LEU 96 OK 75 95 80 99 1.9-6.7 10337/1.8=28...(62) QD2 LEU 96 + HB3 LEU 96 OK 73 73 100 100 2.2-3.2 3.2=100 HG12 ILE 129 + HB3 LEU 96 OK 42 65 65 98 4.2-7.6 2.1/11354=53...(30) QD2 LEU 49 - HB3 LEU 96 far 11 73 15 - 4.8-8.5 QD1 LEU 53 - HB3 LEU 96 far 4 83 5 - 5.5-10.5 QD1 LEU 103 - HB3 LEU 96 far 0 99 0 - 8.2-12.3 QG1 VAL 63 - HB3 LEU 96 far 0 98 0 - 8.4-11.8 QD1 ILE 32 - HB3 LEU 96 far 0 100 0 - 8.7-14.7 QD2 LEU 119 - HB3 LEU 96 far 0 90 0 - 9.1-12.6 QD2 LEU 43 - HB3 LEU 96 far 0 60 0 - 9.7-12.0 QD1 ILE 37 - HB3 LEU 96 far 0 100 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 3082 from aliabs.peaks (8.50, 2.24, 40.82 ppm; 6.49 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 97 + HB3 LEU 96 OK 100 100 100 100 3.3-4.0 4.4=100 H LEU 100 + HB3 LEU 96 OK 98 98 100 100 4.5-6.8 3073/1.8=48, 3090/3.0=43...(42) H VAL 132 - HB3 LEU 96 far 0 73 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 3083 from aliabs.peaks (8.28, 1.40, 27.00 ppm; 5.39 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 96 + HG LEU 96 OK 100 100 100 100 1.7-4.3 5.0=100 H VAL 126 + HG LEU 96 OK 100 100 100 100 4.3-6.0 ~11807=57, 4.7/11827=56...(24) H SER 99 + HG LEU 96 OK 89 90 100 99 6.0-6.5 3.4/3090=31...(31) H LEU 123 - HG LEU 96 far 10 99 10 - 6.7-9.5 H LEU 69 - HG LEU 96 far 4 76 5 - 6.9-10.4 H ALA 29 - HG LEU 96 far 0 65 0 - 7.0-20.3 H GLU 30 - HG LEU 96 far 0 99 0 - 9.3-20.6 Violated in 0 structures by 0.00 A. Peak 3084 from aliabs.peaks (4.05, 1.40, 27.00 ppm; 5.14 A): 6 out of 7 assignments used, quality = 1.00: * HA LEU 96 + HG LEU 96 OK 100 100 100 100 3.5-3.8 3.7=100 HA LEU 122 + HG LEU 96 OK 89 93 100 95 3.4-6.4 3331/3.0=27...(29) HB2 SER 74 + HG LEU 96 OK 51 100 55 92 5.4-7.6 11130/2.1=41, ~11130=30...(16) HA ALA 92 + HG LEU 96 OK 44 100 45 98 4.7-8.5 4.9/11450=40...(26) HB3 SER 74 + HG LEU 96 OK 37 99 40 93 5.4-8.3 11130/2.1=39, ~11130=31...(16) HA LYS 95 + HG LEU 96 OK 28 60 50 95 4.9-7.1 3.6/3083=29, ~9975=23...(31) HA LEU 119 - HG LEU 96 far 0 63 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3085 from aliabs.peaks (1.38, 1.40, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.89: HG LEU 96 + HG LEU 96 OK 89 89 - 100 Reference assignment not found: HB2 LEU 96 - HG LEU 96 Peak 3086 from aliabs.peaks (2.24, 1.40, 27.00 ppm; 4.67 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LEU 96 + HG LEU 96 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 97 + HG LEU 96 OK 100 100 100 100 3.5-5.1 2.9/11461=43...(38) HB3 GLU 97 + HG LEU 96 OK 76 76 100 100 4.6-6.0 1.8/11461=51, ~11451=47...(47) HB3 GLN 104 - HG LEU 96 far 0 85 0 - 7.3-15.5 HB3 GLU 128 - HG LEU 96 far 0 97 0 - 7.9-10.7 HG2 GLU 30 - HG LEU 96 far 0 63 0 - 8.2-23.0 HG2 GLN 68 - HG LEU 96 far 0 65 0 - 8.8-13.7 HB2 GLN 68 - HG LEU 96 far 0 73 0 - 9.4-13.5 HB3 GLN 127 - HG LEU 96 far 0 83 0 - 9.8-11.8 HB3 GLU 102 - HG LEU 96 far 0 93 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 3087 from aliabs.peaks (1.40, 1.40, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 96 + HG LEU 96 OK 100 100 - 100 Peak 3088 from aliabs.peaks (0.75, 1.40, 27.00 ppm; 3.36 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 96 + HG LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 93 + HG LEU 96 OK 98 100 100 98 2.6-4.8 9973/3.0=22, 9974=21...(42) QD1 LEU 96 + HG LEU 96 OK 73 73 100 100 2.1-2.1 2.1=100 HG12 ILE 129 - HG LEU 96 far 0 100 0 - 5.1-7.9 QD1 ILE 32 - HG LEU 96 far 0 85 0 - 7.1-13.6 QD2 LEU 103 - HG LEU 96 far 0 90 0 - 7.5-11.6 QD1 ILE 37 - HG LEU 96 far 0 85 0 - 8.3-12.5 Violated in 0 structures by 0.00 A. Peak 3089 from aliabs.peaks (0.77, 1.40, 27.00 ppm; 3.70 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 96 + HG LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 93 + HG LEU 96 OK 75 76 100 99 2.6-4.8 ~11806=26, ~11691=24...(41) QD2 LEU 96 + HG LEU 96 OK 73 73 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 96 OK 53 95 65 87 3.1-8.6 10337=21, 10337/3.0=16...(35) HG12 ILE 129 - HG LEU 96 far 3 65 5 - 5.1-7.9 QD2 LEU 49 - HG LEU 96 far 0 73 0 - 5.5-8.8 QD1 ILE 32 - HG LEU 96 far 0 100 0 - 7.1-13.6 QD1 LEU 53 - HG LEU 96 far 0 83 0 - 7.4-11.7 QG1 VAL 63 - HG LEU 96 far 0 98 0 - 7.7-11.0 QD1 LEU 103 - HG LEU 96 far 0 99 0 - 8.1-12.2 QD1 ILE 37 - HG LEU 96 far 0 100 0 - 8.3-12.5 QD2 LEU 119 - HG LEU 96 far 0 90 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 3090 from aliabs.peaks (8.50, 1.40, 27.00 ppm; 6.01 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HG LEU 96 OK 100 100 100 100 2.1-3.8 7330/5.0=83, ~11451=77...(39) H LEU 100 + HG LEU 96 OK 98 98 100 100 5.1-7.0 7401/11918=75...(37) Violated in 0 structures by 0.00 A. Peak 3091 from aliabs.peaks (8.28, 0.75, 26.12 ppm; 3.92 A): 3 out of 10 assignments used, quality = 1.00: * H LEU 96 + QD2 LEU 96 OK 99 100 100 99 2.0-3.9 5.1=46, 7311/11806=39...(36) H VAL 126 + QD2 LEU 96 OK 78 100 80 98 2.6-6.0 2.9/11807=46...(30) H SER 99 + QD2 LEU 96 OK 43 90 55 86 4.6-7.0 3.4/3098=17...(25) H LEU 123 - QD2 LEU 96 far 0 99 0 - 5.9-8.6 H LEU 69 - QD2 LEU 96 far 0 76 0 - 6.1-8.4 H ASP 131 - QD2 LEU 96 far 0 100 0 - 7.0-10.6 H ALA 29 - QD2 LEU 96 far 0 65 0 - 7.2-16.2 H LEU 49 - QD2 LEU 96 far 0 71 0 - 7.9-13.5 H GLU 30 - QD2 LEU 96 far 0 99 0 - 8.7-16.0 H LEU 43 - QD2 LEU 96 far 0 96 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 3092 from aliabs.peaks (4.05, 0.75, 26.12 ppm; 3.62 A): 5 out of 9 assignments used, quality = 1.00: * HA LEU 96 + QD2 LEU 96 OK 99 100 100 99 3.4-4.1 4.0=76, 3100/2.1=38...(27) HB2 SER 74 + QD2 LEU 96 OK 50 100 70 71 3.3-5.8 11130/2.1=19...(16) HB3 SER 74 + QD2 LEU 96 OK 39 99 55 71 3.4-7.1 11130/2.1=18, ~11130=15...(16) HA ALA 92 + QD2 LEU 96 OK 37 100 40 92 3.8-6.0 4.9/11806=28...(28) HA LYS 95 + QD2 LEU 96 OK 27 60 55 82 4.2-6.7 3.6/3091=20, 2.9/9980=12...(31) HA LEU 122 - QD2 LEU 96 poor 18 93 25 76 3.1-6.1 3331/3.2=14...(25) HB THR 65 - QD2 LEU 96 far 0 97 0 - 8.5-12.1 HA GLU 102 - QD2 LEU 96 far 0 100 0 - 8.7-12.1 HA LEU 119 - QD2 LEU 96 far 0 63 0 - 9.0-10.7 Violated in 6 structures by 0.03 A. Peak 3093 from aliabs.peaks (1.38, 0.75, 26.12 ppm; 3.61 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 96 + QD2 LEU 96 OK 100 100 100 100 1.9-3.2 3.2=100 HG LEU 96 + QD2 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 HB3 LEU 100 - QD2 LEU 96 far 10 99 10 - 5.0-8.1 HG2 LYS 95 - QD2 LEU 96 far 10 99 10 - 4.5-8.4 HG3 LYS 95 - QD2 LEU 96 far 5 100 5 - 4.6-8.0 QB ALA 29 - QD2 LEU 96 far 0 100 0 - 6.0-12.1 HB2 LEU 42 - QD2 LEU 96 far 0 99 0 - 7.4-11.4 HG2 LYS 36 - QD2 LEU 96 far 0 100 0 - 8.2-15.5 QB ALA 28 - QD2 LEU 96 far 0 100 0 - 8.4-15.0 QB ALA 108 - QD2 LEU 96 far 0 100 0 - 8.9-14.3 QB ALA 15 - QD2 LEU 96 far 0 100 0 - 9.0-29.1 QB ALA 110 - QD2 LEU 96 far 0 100 0 - 9.2-17.8 Violated in 0 structures by 0.00 A. Peak 3094 from aliabs.peaks (2.24, 0.75, 26.12 ppm; 3.75 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.2-3.2 3.2=100 HG2 GLU 97 + QD2 LEU 96 OK 75 100 75 99 1.9-6.2 3.8/11809=42...(33) HB3 GLU 97 + QD2 LEU 96 OK 41 76 55 99 3.3-6.6 3.0/11809=50...(33) HB3 GLU 128 - QD2 LEU 96 far 0 97 0 - 5.4-9.1 HB3 GLN 127 - QD2 LEU 96 far 0 83 0 - 6.9-10.8 HB3 GLN 104 - QD2 LEU 96 far 0 85 0 - 7.2-14.2 HG2 GLN 68 - QD2 LEU 96 far 0 65 0 - 7.4-10.9 HG2 GLU 30 - QD2 LEU 96 far 0 63 0 - 7.6-18.1 HB3 GLU 102 - QD2 LEU 96 far 0 93 0 - 7.8-11.6 HB2 GLN 68 - QD2 LEU 96 far 0 73 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 3095 from aliabs.peaks (1.40, 0.75, 26.12 ppm; 3.22 A): 2 out of 14 assignments used, quality = 1.00: * HG LEU 96 + QD2 LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 96 + QD2 LEU 96 OK 89 89 100 100 1.9-3.2 3.2=100 HG2 LYS 95 - QD2 LEU 96 far 10 98 10 - 4.5-8.4 HG3 LYS 95 - QD2 LEU 96 far 5 96 5 - 4.6-8.0 HB3 LEU 100 - QD2 LEU 96 far 0 73 0 - 5.0-8.1 QB ALA 29 - QD2 LEU 96 far 0 85 0 - 6.0-12.1 QB ALA 34 - QD2 LEU 96 far 0 89 0 - 7.3-15.0 HB2 LEU 42 - QD2 LEU 96 far 0 73 0 - 7.4-11.4 HG2 LYS 36 - QD2 LEU 96 far 0 89 0 - 8.2-15.5 QB ALA 28 - QD2 LEU 96 far 0 95 0 - 8.4-15.0 QB ALA 108 - QD2 LEU 96 far 0 87 0 - 8.9-14.3 QB ALA 15 - QD2 LEU 96 far 0 90 0 - 9.0-29.1 QB ALA 110 - QD2 LEU 96 far 0 92 0 - 9.2-17.8 HG2 LYS 86 - QD2 LEU 96 far 0 90 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3096 from aliabs.peaks (0.75, 0.75, 26.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 96 + QD2 LEU 96 OK 100 100 - 100 Peak 3097 from aliabs.peaks (0.77, 0.75, 26.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: QD2 LEU 96 + QD2 LEU 96 OK 73 73 - 100 Reference assignment not found: QD1 LEU 96 - QD2 LEU 96 Peak 3098 from aliabs.peaks (8.50, 0.75, 26.12 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 97 + QD2 LEU 96 OK 100 100 100 100 1.5-4.2 2.8/11809=60...(33) H LEU 100 + QD2 LEU 96 OK 49 98 55 90 4.7-7.3 3114/11809=21...(28) H VAL 132 - QD2 LEU 96 far 0 73 0 - 7.1-10.8 Violated in 4 structures by 0.02 A. Peak 3099 from aliabs.peaks (8.28, 0.77, 23.66 ppm; 3.80 A): 3 out of 10 assignments used, quality = 1.00: * H LEU 96 + QD1 LEU 96 OK 99 100 100 99 2.9-4.0 4.6=55, 7330/3106=36...(32) H VAL 126 + QD1 LEU 96 OK 92 100 95 97 3.0-5.3 2.9/11452=36...(29) H SER 99 + QD1 LEU 96 OK 28 90 35 87 4.6-7.2 7374/11451=15...(29) H LEU 69 - QD1 LEU 96 far 0 76 0 - 5.7-7.0 H LEU 123 - QD1 LEU 96 far 0 99 0 - 5.8-8.1 H ALA 29 - QD1 LEU 96 far 0 65 0 - 6.9-15.9 H ASP 131 - QD1 LEU 96 far 0 100 0 - 7.4-10.3 H LEU 49 - QD1 LEU 96 far 0 71 0 - 8.3-11.7 H GLU 30 - QD1 LEU 96 far 0 99 0 - 9.1-16.2 H LEU 43 - QD1 LEU 96 far 0 96 0 - 9.2-11.8 Violated in 1 structures by 0.00 A. Peak 3100 from aliabs.peaks (4.05, 0.77, 23.66 ppm; 3.32 A): 3 out of 9 assignments used, quality = 0.98: * HA LEU 96 + QD1 LEU 96 OK 95 100 100 95 2.9-4.1 4.0=59, 3.6/3106=26...(29) HB2 SER 74 + QD1 LEU 96 OK 43 100 65 66 3.1-6.0 11130=15, 1.8/11130=14...(16) HB3 SER 74 + QD1 LEU 96 OK 32 99 50 65 3.0-7.3 1.8/11130=15, 11130=14...(16) HA LEU 122 - QD1 LEU 96 poor 19 93 30 67 3.5-6.5 3865/9987=12...(20) HA ALA 92 - QD1 LEU 96 far 0 100 0 - 4.9-7.0 HA LYS 95 - QD1 LEU 96 far 0 60 0 - 5.0-6.7 HA LEU 119 - QD1 LEU 96 far 0 63 0 - 7.1-10.2 HA GLU 102 - QD1 LEU 96 far 0 100 0 - 7.8-11.3 HB THR 65 - QD1 LEU 96 far 0 97 0 - 8.7-10.8 Violated in 11 structures by 0.15 A. Peak 3101 from aliabs.peaks (1.38, 0.77, 23.66 ppm; 3.43 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.3-3.2 3.2=100 HG LEU 96 + QD1 LEU 96 OK 89 89 100 100 2.1-2.1 2.1=100 HB3 LEU 100 + QD1 LEU 96 OK 34 99 40 85 2.7-6.8 ~11918=19...(28) HG2 LYS 95 - QD1 LEU 96 far 0 99 0 - 5.5-8.5 QB ALA 29 - QD1 LEU 96 far 0 100 0 - 5.6-11.8 HG3 LYS 95 - QD1 LEU 96 far 0 100 0 - 5.6-8.4 QB ALA 108 - QD1 LEU 96 far 0 100 0 - 7.2-14.4 HB2 LEU 42 - QD1 LEU 96 far 0 99 0 - 7.8-10.5 QB ALA 110 - QD1 LEU 96 far 0 100 0 - 8.1-17.5 QB ALA 28 - QD1 LEU 96 far 0 100 0 - 8.4-15.3 QB ALA 109 - QD1 LEU 96 far 0 99 0 - 9.0-15.3 HG2 LYS 36 - QD1 LEU 96 far 0 100 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 3102 from aliabs.peaks (2.24, 0.77, 23.66 ppm; 3.77 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.0-3.2 3.2=100 HG2 GLU 97 + QD1 LEU 96 OK 99 100 100 99 1.8-5.0 3134/11451=43...(35) HB3 GLU 97 + QD1 LEU 96 OK 34 76 45 100 3.4-6.1 3.0/11451=52...(39) HB3 GLU 128 - QD1 LEU 96 far 0 97 0 - 6.6-9.7 HG2 GLN 68 - QD1 LEU 96 far 0 65 0 - 7.1-9.7 HB3 GLN 104 - QD1 LEU 96 far 0 85 0 - 7.4-13.3 HB3 GLN 127 - QD1 LEU 96 far 0 83 0 - 7.4-10.1 HB3 GLU 102 - QD1 LEU 96 far 0 93 0 - 7.5-11.9 HB2 GLN 68 - QD1 LEU 96 far 0 73 0 - 7.8-9.3 HG2 GLU 30 - QD1 LEU 96 far 0 63 0 - 8.5-18.2 Violated in 0 structures by 0.00 A. Peak 3103 from aliabs.peaks (1.40, 0.77, 23.66 ppm; 3.43 A): 3 out of 13 assignments used, quality = 1.00: * HG LEU 96 + QD1 LEU 96 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 96 + QD1 LEU 96 OK 89 89 100 100 2.3-3.2 3.2=100 HB3 LEU 100 + QD1 LEU 96 OK 23 73 40 78 2.7-6.8 ~11918=19, ~3235=12...(24) HG2 LYS 95 - QD1 LEU 96 far 0 98 0 - 5.5-8.5 QB ALA 29 - QD1 LEU 96 far 0 85 0 - 5.6-11.8 HG3 LYS 95 - QD1 LEU 96 far 0 96 0 - 5.6-8.4 QB ALA 34 - QD1 LEU 96 far 0 89 0 - 6.2-14.1 QB ALA 108 - QD1 LEU 96 far 0 87 0 - 7.2-14.4 HB2 LEU 42 - QD1 LEU 96 far 0 73 0 - 7.8-10.5 QB ALA 110 - QD1 LEU 96 far 0 92 0 - 8.1-17.5 QB ALA 28 - QD1 LEU 96 far 0 95 0 - 8.4-15.3 QB ALA 109 - QD1 LEU 96 far 0 97 0 - 9.0-15.3 HG2 LYS 36 - QD1 LEU 96 far 0 89 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 3104 from aliabs.peaks (0.75, 0.77, 23.66 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: QD1 LEU 96 + QD1 LEU 96 OK 73 73 - 100 Reference assignment not found: QD2 LEU 96 - QD1 LEU 96 Peak 3105 from aliabs.peaks (0.77, 0.77, 23.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 96 + QD1 LEU 96 OK 100 100 - 100 Peak 3106 from aliabs.peaks (8.50, 0.77, 23.66 ppm; 4.03 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 97 + QD1 LEU 96 OK 100 100 100 100 1.6-4.3 2.8/11451=62...(33) H LEU 100 + QD1 LEU 96 OK 37 98 40 93 3.3-6.6 3098/2.1=24...(32) H VAL 132 - QD1 LEU 96 far 0 73 0 - 8.0-11.0 Violated in 6 structures by 0.04 A. Peak 3107 from aliabs.peaks (8.50, 3.76, 59.92 ppm; 4.53 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HA GLU 97 OK 100 100 100 100 2.8-2.9 2.8=100 H LEU 100 + HA GLU 97 OK 98 98 100 100 3.0-4.4 3.9/3115=61...(34) Violated in 0 structures by 0.00 A. Peak 3108 from aliabs.peaks (3.76, 3.76, 59.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 97 + HA GLU 97 OK 100 100 - 100 Peak 3109 from aliabs.peaks (2.13, 3.76, 59.92 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + HA GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 126 - HA GLU 97 far 0 71 0 - 5.7-10.2 HB3 LEU 69 - HA GLU 97 far 0 73 0 - 8.2-11.2 Violated in 0 structures by 0.00 A. Peak 3110 from aliabs.peaks (2.22, 3.76, 59.92 ppm; 3.90 A): 4 out of 6 assignments used, quality = 1.00: * HB3 GLU 97 + HA GLU 97 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 GLN 101 + HA GLU 97 OK 92 93 100 99 3.0-5.2 2.9/3112=25, 7359/3.6=22...(40) HG2 GLU 97 + HA GLU 97 OK 76 76 100 100 2.0-4.0 3.8=100 HB3 LEU 96 + HA GLU 97 OK 42 76 55 100 4.2-5.6 3.2/11451=53...(42) HB3 GLN 104 - HA GLU 97 far 0 100 0 - 6.1-11.0 HB3 GLU 102 - HA GLU 97 far 0 98 0 - 6.5-9.6 Violated in 0 structures by 0.00 A. Peak 3111 from aliabs.peaks (2.24, 3.76, 59.92 ppm; 4.08 A): 3 out of 6 assignments used, quality = 1.00: * HG2 GLU 97 + HA GLU 97 OK 100 100 100 100 2.0-4.0 3.8=100 HB3 LEU 96 + HA GLU 97 OK 95 100 95 100 4.2-5.6 3.2/11451=58...(44) HB3 GLU 97 + HA GLU 97 OK 76 76 100 100 2.4-2.9 3.0=100 HB3 GLN 104 - HA GLU 97 far 0 85 0 - 6.1-11.0 HB3 GLU 102 - HA GLU 97 far 0 93 0 - 6.5-9.6 HG2 GLU 30 - HA GLU 97 far 0 63 0 - 9.3-22.6 Violated in 0 structures by 0.00 A. Peak 3112 from aliabs.peaks (2.40, 3.76, 59.92 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 97 + HA GLU 97 OK 100 100 100 100 2.1-4.2 3.8=100 HG2 GLN 101 + HA GLU 97 OK 55 68 85 95 3.5-5.8 2.9/3110=27, 2.9/3111=21...(23) HG2 GLN 104 - HA GLU 97 far 0 81 0 - 6.1-11.3 Violated in 0 structures by 0.00 A. Peak 3113 from aliabs.peaks (7.75, 3.76, 59.92 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HA GLU 97 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3114 from aliabs.peaks (8.49, 3.76, 59.92 ppm; 4.53 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HA GLU 97 OK 100 100 100 100 3.0-4.4 3.9/3115=61...(34) H GLU 97 + HA GLU 97 OK 98 98 100 100 2.8-2.9 2.8=100 H LEU 70 - HA GLU 97 far 4 76 5 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 3115 from aliabs.peaks (1.82, 3.76, 59.92 ppm; 3.93 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LEU 100 + HA GLU 97 OK 99 100 100 99 2.1-3.8 3.2/10036=56...(29) HB3 LEU 103 - HA GLU 97 far 0 60 0 - 6.1-8.7 HB VAL 93 - HA GLU 97 far 0 99 0 - 7.1-9.3 HB3 LYS 26 - HA GLU 97 far 0 99 0 - 9.1-23.4 Violated in 0 structures by 0.00 A. Peak 3116 from aliabs.peaks (1.37, 3.76, 59.92 ppm; 4.39 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LEU 100 + HA GLU 97 OK 100 100 100 100 3.4-5.3 1.8/3115=88...(30) HB2 LEU 96 + HA GLU 97 OK 99 99 100 100 4.6-5.7 3.2/11451=66...(47) HG LEU 96 + HA GLU 97 OK 73 73 100 100 3.1-5.1 2.1/11451=80...(41) QB ALA 29 - HA GLU 97 far 5 100 5 - 5.4-14.6 QB ALA 108 - HA GLU 97 far 0 99 0 - 7.1-14.9 HG3 LYS 95 - HA GLU 97 far 0 96 0 - 7.8-9.7 HG2 LYS 95 - HA GLU 97 far 0 92 0 - 8.0-9.8 QB ALA 110 - HA GLU 97 far 0 98 0 - 8.3-20.1 QB ALA 28 - HA GLU 97 far 0 97 0 - 8.6-19.2 QB ALA 109 - HA GLU 97 far 0 93 0 - 9.2-15.8 Violated in 0 structures by 0.00 A. Peak 3117 from aliabs.peaks (4.24, 2.13, 28.66 ppm; 3.83 A): 1 out of 6 assignments used, quality = 0.98: * HA SER 94 + HB2 GLU 97 OK 98 100 100 98 3.4-5.0 2936=77, 11457/2.9=58...(11) HA ALA 28 - HB2 GLU 97 far 0 99 0 - 6.1-24.0 HA GLN 27 - HB2 GLU 97 far 0 98 0 - 6.2-25.7 HA ALA 29 - HB2 GLU 97 far 0 97 0 - 6.6-19.9 HA SER 99 - HB2 GLU 97 far 0 93 0 - 7.5-8.8 HA GLU 30 - HB2 GLU 97 far 0 76 0 - 7.8-21.5 Violated in 13 structures by 0.31 A. Peak 3118 from aliabs.peaks (8.50, 2.13, 28.66 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.2-2.8 4.0=100 H LEU 100 + HB2 GLU 97 OK 69 98 75 94 5.2-6.4 3114/3.0=28, 3126/1.8=27...(24) Violated in 0 structures by 0.00 A. Peak 3119 from aliabs.peaks (3.76, 2.13, 28.66 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 99 - HB2 GLU 97 far 0 100 0 - 6.3-8.8 Violated in 0 structures by 0.00 A. Peak 3120 from aliabs.peaks (2.13, 2.13, 28.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 97 + HB2 GLU 97 OK 100 100 - 100 Peak 3121 from aliabs.peaks (2.22, 2.13, 28.66 ppm; 2.78 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLU 97 + HB2 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 97 + HB2 GLU 97 OK 72 76 100 95 2.2-2.9 2.9=85, 3134/3.0=19...(12) HB2 GLN 101 - HB2 GLU 97 poor 19 93 20 - 3.1-5.7 HB3 LEU 96 - HB2 GLU 97 far 0 76 0 - 4.5-6.1 HB3 GLU 102 - HB2 GLU 97 far 0 98 0 - 7.0-11.6 HB3 GLN 104 - HB2 GLU 97 far 0 100 0 - 8.9-13.1 HG2 GLU 91 - HB2 GLU 97 far 0 98 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 3122 from aliabs.peaks (2.24, 2.13, 28.66 ppm; 3.27 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 GLU 97 + HB2 GLU 97 OK 76 76 100 100 1.8-1.8 1.8=100 HB3 LEU 96 - HB2 GLU 97 far 5 100 5 - 4.5-6.1 HG2 GLU 30 - HB2 GLU 97 far 0 63 0 - 7.0-24.5 HB3 GLU 102 - HB2 GLU 97 far 0 93 0 - 7.0-11.6 HB3 GLN 104 - HB2 GLU 97 far 0 85 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 3123 from aliabs.peaks (2.40, 2.13, 28.66 ppm; 3.35 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 97 + HB2 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLN 101 + HB2 GLU 97 OK 31 68 50 90 3.2-6.6 ~3316=17, 2.9/3122=17...(25) HG2 GLN 104 - HB2 GLU 97 far 0 81 0 - 7.8-13.8 Violated in 0 structures by 0.00 A. Peak 3124 from aliabs.peaks (7.75, 2.13, 28.66 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HB2 GLU 97 OK 100 100 100 100 2.3-4.0 7358=100, 3.9/7345=65...(20) Violated in 0 structures by 0.00 A. Peak 3125 from aliabs.peaks (4.24, 2.22, 28.66 ppm; 4.15 A): 3 out of 12 assignments used, quality = 0.98: HA SER 99 + HB3 GLU 102 OK 83 83 100 99 3.4-5.4 3207=80, 3332/1.8=70...(14) * HA SER 94 + HB3 GLU 97 OK 70 100 70 99 4.5-6.3 3117/1.8=84...(14) HA SER 124 + HB3 GLU 128 OK 68 84 95 86 4.1-7.2 7838/3.6=35, 2937=31...(10) HA ARG 84 - HB2 GLN 82 poor 14 45 30 - 5.1-7.3 HA GLN 27 - HB3 GLU 97 far 5 98 5 - 4.8-25.9 HA ALA 28 - HB3 GLU 97 far 0 99 0 - 6.1-24.7 HA ALA 29 - HB3 GLU 97 far 0 97 0 - 6.5-20.6 HA SER 99 - HB3 GLU 97 far 0 93 0 - 7.0-8.4 HA GLN 27 - HB3 GLU 102 far 0 89 0 - 7.5-28.9 HA GLU 30 - HB3 GLU 97 far 0 76 0 - 7.6-21.3 HA LEU 22 - HB3 GLU 102 far 0 56 0 - 9.1-37.9 HA SER 94 - HB3 GLU 102 far 0 93 0 - 9.9-13.1 Violated in 3 structures by 0.03 A. Peak 3126 from aliabs.peaks (8.50, 2.22, 28.66 ppm; 4.07 A): 3 out of 8 assignments used, quality = 1.00: * H GLU 97 + HB3 GLU 97 OK 100 100 100 100 3.2-3.6 4.0=100 H LEU 100 + HB3 GLU 97 OK 82 98 85 98 4.7-6.4 3118/1.8=32, 3.1/7417=32...(31) H LEU 100 + HB3 GLU 102 OK 46 89 60 86 5.2-7.2 3.6/3207=48, 7403/3.8=31...(15) H VAL 132 - HB3 GLU 128 far 3 56 5 - 5.5-6.8 H HIS 4 - HB2 GLN 82 far 0 38 0 - 7.1-74.8 H GLU 97 - HB3 GLU 102 far 0 93 0 - 7.7-10.5 H VAL 132 - HB2 GLN 82 far 0 29 0 - 8.8-13.7 H GLU 97 - HB3 GLU 128 far 0 85 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 3127 from aliabs.peaks (3.76, 2.22, 28.66 ppm; 3.87 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.4-2.9 3.0=100 HA THR 83 - HB2 GLN 82 poor 16 33 50 - 4.5-6.1 HA VAL 133 - HB2 GLN 82 far 7 46 15 - 5.0-10.1 HB2 SER 99 - HB3 GLU 102 far 0 93 0 - 6.0-8.1 HA GLU 97 - HB3 GLU 102 far 0 93 0 - 6.5-9.6 HB2 SER 99 - HB3 GLU 97 far 0 100 0 - 6.8-8.3 HB3 SER 130 - HB3 GLU 128 far 0 80 0 - 7.1-8.3 HA SER 130 - HB3 GLU 128 far 0 78 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 3128 from aliabs.peaks (2.13, 2.22, 28.66 ppm; 2.89 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 97 + HB3 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 81 - HB2 GLN 82 far 2 48 5 - 3.6-6.8 HB VAL 126 - HB3 GLU 128 far 0 53 0 - 6.8-8.8 HB2 GLU 97 - HB3 GLU 102 far 0 93 0 - 7.0-11.6 HB VAL 126 - HB3 GLU 97 far 0 71 0 - 7.6-12.4 HB3 LEU 69 - HB3 GLU 128 far 0 56 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 3129 from aliabs.peaks (2.22, 2.22, 28.66 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 97 + HB3 GLU 97 OK 100 100 - 100 HB3 GLU 102 + HB3 GLU 102 OK 89 89 - 100 HB3 GLU 128 + HB3 GLU 128 OK 77 77 - 100 HB2 GLN 82 + HB2 GLN 82 OK 42 42 - 100 Peak 3130 from aliabs.peaks (2.24, 2.22, 28.66 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: HB3 GLU 102 + HB3 GLU 102 OK 83 83 - 100 HB3 GLU 128 + HB3 GLU 128 OK 78 78 - 100 HB3 GLU 97 + HB3 GLU 97 OK 76 76 - 100 Reference assignment not found: HG2 GLU 97 - HB3 GLU 97 Peak 3131 from aliabs.peaks (2.40, 2.22, 28.66 ppm; 3.49 A): 4 out of 7 assignments used, quality = 1.00: * HG3 GLU 97 + HB3 GLU 97 OK 100 100 100 100 2.4-2.9 2.9=100 HG3 GLU 128 + HB3 GLU 128 OK 62 62 100 100 2.2-3.0 3.0=100 HG2 GLN 101 + HB3 GLU 97 OK 62 68 95 95 1.9-5.1 1.8/3316=29, 2.9/3298=28...(29) HG2 GLN 101 + HB3 GLU 102 OK 31 59 80 66 2.7-6.2 7450/3.8=23, 1.8/3316=15...(16) HG2 GLN 104 - HB3 GLU 97 far 0 81 0 - 6.9-12.3 HG3 GLU 97 - HB3 GLU 102 far 0 93 0 - 7.0-11.8 HG2 GLN 104 - HB3 GLU 102 far 0 70 0 - 7.1-10.6 Violated in 0 structures by 0.00 A. Peak 3132 from aliabs.peaks (7.75, 2.22, 28.66 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 98 + HB3 GLU 97 OK 100 100 100 100 2.1-3.9 4.7=100 H LEU 98 + HB3 GLU 102 OK 20 93 40 55 5.6-8.5 7352/3207=20, 2.9/3415=8...(11) Violated in 0 structures by 0.00 A. Peak 3133 from aliabs.peaks (8.50, 2.24, 35.20 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HG2 GLU 97 OK 100 100 100 100 1.8-4.1 4.6=80, 2.8/3134=73...(21) H LEU 100 + HG2 GLU 97 OK 28 98 30 95 5.1-6.7 7401/10012=33...(22) Violated in 0 structures by 0.00 A. Peak 3134 from aliabs.peaks (3.76, 2.24, 35.20 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.0-4.0 3.8=100 HB2 SER 99 - HG2 GLU 97 far 0 100 0 - 6.0-8.9 Violated in 1 structures by 0.00 A. Peak 3135 from aliabs.peaks (2.13, 2.24, 35.20 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 97 + HG2 GLU 97 OK 100 100 100 100 2.2-2.9 2.9=100 HB VAL 126 - HG2 GLU 97 far 0 71 0 - 6.8-11.7 HB3 LEU 69 - HG2 GLU 97 far 0 73 0 - 8.2-13.5 Violated in 0 structures by 0.00 A. Peak 3136 from aliabs.peaks (2.22, 2.24, 35.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: HG2 GLU 97 + HG2 GLU 97 OK 76 76 - 100 Reference assignment not found: HB3 GLU 97 - HG2 GLU 97 Peak 3137 from aliabs.peaks (2.24, 2.24, 35.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 97 + HG2 GLU 97 OK 100 100 - 100 Peak 3138 from aliabs.peaks (2.40, 2.24, 35.20 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 97 + HG2 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 101 - HG2 GLU 97 poor 14 68 20 - 2.9-7.4 HG2 GLN 104 - HG2 GLU 97 far 0 81 0 - 7.1-13.1 Violated in 0 structures by 0.00 A. Peak 3139 from aliabs.peaks (7.75, 2.24, 35.20 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HG2 GLU 97 OK 100 100 100 100 1.5-4.7 7358/2.9=94, 3.6/3134=90...(21) Violated in 0 structures by 0.00 A. Peak 3140 from aliabs.peaks (8.50, 2.40, 35.20 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 97 + HG3 GLU 97 OK 100 100 100 100 1.8-4.1 3133/1.8=80, 4.6=74...(21) H LEU 100 + HG3 GLU 97 OK 60 98 65 94 5.2-7.0 3.1/7419=27, 3118/2.9=27...(21) Violated in 0 structures by 0.00 A. Peak 3141 from aliabs.peaks (3.76, 2.40, 35.20 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.1-4.2 3.8=100 HA LEU 43 - HG3 GLU 40 far 0 71 0 - 6.8-9.2 HB2 SER 99 - HG3 GLU 97 far 0 100 0 - 7.1-9.1 HA VAL 133 - HG3 GLU 40 far 0 81 0 - 9.2-14.0 HA SER 130 - HG3 GLU 40 far 0 77 0 - 9.3-12.2 HB3 SER 130 - HG3 GLU 40 far 0 78 0 - 10.0-13.3 Violated in 2 structures by 0.00 A. Peak 3142 from aliabs.peaks (2.13, 2.40, 35.20 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.2-3.0 2.9=100 HB VAL 126 - HG3 GLU 97 far 0 71 0 - 6.3-11.1 HB2 PRO 81 - HG3 GLU 40 far 0 83 0 - 7.2-14.4 HB3 LEU 69 - HG3 GLU 97 far 0 73 0 - 7.6-13.5 Violated in 0 structures by 0.00 A. Peak 3143 from aliabs.peaks (2.22, 2.40, 35.20 ppm; 3.34 A): 3 out of 11 assignments used, quality = 1.00: * HB3 GLU 97 + HG3 GLU 97 OK 100 100 100 100 2.4-2.9 2.9=100 HG2 GLU 97 + HG3 GLU 97 OK 76 76 100 100 1.8-1.8 1.8=100 HB2 GLN 101 + HG3 GLU 97 OK 40 93 45 95 4.1-6.4 1.8/3300=29, 3290=26...(35) HB3 LEU 96 - HG3 GLU 97 poor 15 76 20 - 4.5-6.7 HB3 GLU 102 - HG3 GLU 97 far 0 98 0 - 7.0-11.8 HB2 PRO 81 - HG3 GLU 40 far 0 58 0 - 7.2-14.4 HB VAL 133 - HG3 GLU 40 far 0 41 0 - 8.0-12.2 HB3 GLN 104 - HG3 GLU 97 far 0 100 0 - 8.2-13.4 HG2 GLU 91 - HG3 GLU 97 far 0 98 0 - 8.6-13.6 HG2 GLN 68 - HG3 GLU 97 far 0 100 0 - 9.2-14.9 HB2 GLN 68 - HG3 GLU 97 far 0 100 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 3144 from aliabs.peaks (2.24, 2.40, 35.20 ppm; 2.86 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLU 97 + HG3 GLU 97 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 97 + HG3 GLU 97 OK 74 76 100 98 2.4-2.9 2.9=93, ~3134=18...(16) HB3 LEU 96 - HG3 GLU 97 far 0 100 0 - 4.5-6.7 HB3 GLU 102 - HG3 GLU 97 far 0 93 0 - 7.0-11.8 HG2 GLU 30 - HG3 GLU 97 far 0 63 0 - 7.2-25.9 HB2 PRO 81 - HG3 GLU 40 far 0 44 0 - 7.2-14.4 HB3 GLN 104 - HG3 GLU 97 far 0 85 0 - 8.2-13.4 HG2 GLN 68 - HG3 GLU 97 far 0 65 0 - 9.2-14.9 HB2 GLN 68 - HG3 GLU 97 far 0 73 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 3145 from aliabs.peaks (2.40, 2.40, 35.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 97 + HG3 GLU 97 OK 100 100 - 100 HG3 GLU 40 + HG3 GLU 40 OK 81 81 - 100 Peak 3146 from aliabs.peaks (7.75, 2.40, 35.20 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HG3 GLU 97 OK 100 100 100 100 1.9-4.7 3139/1.8=97, 7358/2.9=95...(22) Violated in 0 structures by 0.00 A. Peak 3147 from aliabs.peaks (7.75, 4.11, 57.89 ppm; 4.57 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 98 + HA LEU 98 OK 100 100 100 100 2.6-2.9 2.9=100 HE22 GLN 68 - HA LEU 49 far 0 49 0 - 6.4-13.3 H GLU 55 - HA LEU 49 far 0 85 0 - 6.8-8.2 HE22 GLN 68 - HA LEU 48 far 0 57 0 - 7.5-15.6 HE22 GLN 68 - HA GLN 104 far 0 29 0 - 8.3-17.7 H GLU 55 - HA LEU 48 far 0 94 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 3148 from aliabs.peaks (4.11, 4.11, 57.89 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LEU 98 + HA LEU 98 OK 100 100 - 100 HA LEU 48 + HA LEU 48 OK 93 93 - 100 HA LEU 49 + HA LEU 49 OK 85 85 - 100 HA GLN 104 + HA GLN 104 OK 41 41 - 100 Peak 3149 from aliabs.peaks (1.65, 4.11, 57.89 ppm; 3.87 A): 1 out of 41 assignments used, quality = 1.00: * HB2 LEU 98 + HA LEU 98 OK 100 100 100 100 2.2-2.6 3.0=100 HG LEU 62 - HA LEU 49 far 13 85 15 - 3.8-8.9 HD2 LYS 26 - HA LEU 48 far 4 86 5 - 4.8-30.2 HD2 LYS 24 - HA LEU 48 far 4 83 5 - 4.6-31.4 HD3 LYS 24 - HA LEU 48 far 0 92 0 - 5.4-30.1 HD2 LYS 19 - HA LEU 48 far 0 94 0 - 5.5-38.0 HD3 LYS 26 - HA LEU 48 far 0 82 0 - 5.6-29.9 HB2 LEU 123 - HA LEU 49 far 0 85 0 - 6.0-10.1 HD3 LYS 95 - HA LEU 98 far 0 95 0 - 6.2-10.7 HD3 LYS 19 - HA LEU 48 far 0 94 0 - 6.3-39.5 HG3 ARG 23 - HA LEU 98 far 0 68 0 - 6.4-37.3 HB2 LEU 69 - HA LEU 49 far 0 84 0 - 6.7-10.2 HD2 LYS 24 - HA LEU 98 far 0 92 0 - 6.8-36.7 HD3 LYS 24 - HA LEU 98 far 0 99 0 - 6.9-35.4 HD2 LYS 95 - HA LEU 98 far 0 99 0 - 6.9-11.2 HG3 ARG 23 - HA GLN 104 far 0 30 0 - 7.3-34.9 HD3 LYS 24 - HA LEU 49 far 0 83 0 - 7.3-26.6 HG LEU 62 - HA GLN 104 far 0 54 0 - 7.4-13.5 HD3 LYS 26 - HA GLN 104 far 0 44 0 - 7.4-26.7 HG LEU 22 - HA LEU 48 far 0 62 0 - 7.5-30.9 HD2 LYS 24 - HA LEU 49 far 0 73 0 - 7.7-27.8 HD2 LYS 36 - HA LEU 49 far 0 72 0 - 7.7-18.8 HG LEU 119 - HA LEU 49 far 0 56 0 - 7.8-15.9 HG LEU 62 - HA LEU 48 far 0 95 0 - 7.8-13.7 HD2 LYS 26 - HA LEU 49 far 0 76 0 - 7.9-26.8 HD3 LYS 36 - HA LEU 48 far 0 83 0 - 7.9-17.5 HG LEU 119 - HA GLN 104 far 0 33 0 - 8.0-13.2 HD3 LYS 36 - HA LEU 49 far 0 73 0 - 8.3-17.9 HD2 LYS 36 - HA LEU 48 far 0 82 0 - 8.3-18.9 HD2 LYS 31 - HA LEU 48 far 0 91 0 - 8.4-26.8 HD2 LYS 31 - HA LEU 49 far 0 81 0 - 8.4-25.8 HB2 LEU 69 - HA LEU 48 far 0 94 0 - 8.7-12.8 HD2 LYS 26 - HA GLN 104 far 0 47 0 - 8.8-27.4 HD3 LYS 31 - HA LEU 49 far 0 78 0 - 8.9-24.7 HD2 LYS 31 - HA GLN 104 far 0 51 0 - 9.0-25.0 HD3 LYS 26 - HA LEU 49 far 0 72 0 - 9.3-26.5 HG3 ARG 23 - HA LEU 48 far 0 60 0 - 9.3-31.5 HD3 LYS 31 - HA LEU 48 far 0 88 0 - 9.4-25.5 HD3 LYS 31 - HA GLN 104 far 0 48 0 - 9.5-25.4 HB2 LEU 123 - HA LEU 48 far 0 94 0 - 9.5-14.0 HD3 LYS 26 - HA LEU 98 far 0 90 0 - 9.9-30.3 Violated in 0 structures by 0.00 A. Peak 3150 from aliabs.peaks (1.78, 4.11, 57.89 ppm; 3.86 A): 4 out of 15 assignments used, quality = 1.00: * HB3 LEU 98 + HA LEU 98 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 48 + HA LEU 48 OK 94 94 100 100 2.2-3.0 3.0=100 HB2 LEU 48 + HA LEU 49 OK 50 84 60 99 3.9-5.5 6598/2.9=53, ~6600=22...(39) HB3 LEU 103 + HA GLN 104 OK 49 50 100 98 4.2-5.2 7488/3.0=49, ~7491=23...(24) HG LEU 100 - HA GLN 104 far 7 50 15 - 4.4-9.2 HB3 LYS 19 - HA LEU 48 far 3 65 5 - 3.8-36.0 HB3 LEU 122 - HA LEU 98 far 0 99 0 - 6.5-10.4 HG LEU 100 - HA LEU 49 far 0 80 0 - 6.8-14.3 HB3 LEU 103 - HA LEU 98 far 0 97 0 - 7.1-8.5 HG LEU 100 - HA LEU 98 far 0 97 0 - 7.7-9.1 HB3 LEU 122 - HA GLN 104 far 0 52 0 - 7.7-11.3 HB3 LYS 19 - HA LEU 49 far 0 56 0 - 8.6-33.0 HB ILE 32 - HA GLN 104 far 0 27 0 - 9.1-21.6 HB3 LEU 122 - HA LEU 49 far 0 83 0 - 9.1-12.6 HB ILE 32 - HA LEU 49 far 0 47 0 - 9.6-18.1 Violated in 0 structures by 0.00 A. Peak 3151 from aliabs.peaks (1.71, 4.11, 57.89 ppm; 4.18 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 98 + HA LEU 98 OK 100 100 100 100 2.9-4.3 3.7=100 HG LEU 48 + HA LEU 48 OK 94 94 100 100 3.1-4.2 3.7=100 HG LEU 48 + HA LEU 49 OK 46 84 55 99 2.8-6.5 6600/2.9=51, ~6598=30...(32) HB2 LEU 70 - HA LEU 98 far 0 100 0 - 7.3-10.8 HB3 LEU 70 - HA GLN 104 far 0 53 0 - 7.8-13.5 HB3 LEU 70 - HA LEU 98 far 0 100 0 - 8.4-10.2 HB2 LEU 70 - HA GLN 104 far 0 53 0 - 8.4-13.1 HB2 LEU 43 - HA LEU 48 far 0 93 0 - 9.1-11.0 HB2 LEU 70 - HA LEU 49 far 0 84 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 3152 from aliabs.peaks (0.86, 4.11, 57.89 ppm; 4.01 A): 3 out of 26 assignments used, quality = 1.00: * QD1 LEU 98 + HA LEU 98 OK 100 100 100 100 3.0-4.1 4.0=100 QD2 LEU 98 + HA LEU 98 OK 76 76 100 100 1.8-3.4 4.0=100 QD2 LEU 123 + HA LEU 49 OK 44 58 85 90 2.9-6.6 3948/3.7=19...(30) QG2 VAL 57 - HA LEU 49 poor 16 85 45 41 4.8-6.3 9317/1631=30...(3) QD2 LEU 70 - HA LEU 98 far 5 100 5 - 5.1-8.3 QD2 LEU 69 - HA LEU 49 far 4 83 5 - 4.4-8.7 QD2 LEU 69 - HA LEU 48 far 0 92 0 - 5.7-9.5 QD2 LEU 70 - HA GLN 104 far 0 54 0 - 6.2-11.6 QD2 LEU 123 - HA LEU 48 far 0 67 0 - 6.5-9.7 QD1 LEU 22 - HA LEU 48 far 0 55 0 - 7.0-27.6 QG2 VAL 57 - HA LEU 48 far 0 94 0 - 7.2-9.5 QD2 LEU 70 - HA LEU 49 far 0 85 0 - 7.3-13.2 QG2 ILE 32 - HA LEU 49 far 0 64 0 - 7.5-14.8 QD2 LEU 22 - HA LEU 48 far 0 78 0 - 7.7-25.8 QG2 ILE 32 - HA GLN 104 far 0 38 0 - 7.8-19.4 QG2 ILE 32 - HA LEU 48 far 0 74 0 - 7.9-15.6 QD1 LEU 22 - HA GLN 104 far 0 27 0 - 8.7-30.2 QD2 LEU 123 - HA GLN 104 far 0 34 0 - 9.0-13.4 QD2 LEU 22 - HA LEU 98 far 0 87 0 - 9.3-33.1 QD2 LEU 69 - HA GLN 104 far 0 52 0 - 9.4-16.1 QG2 VAL 57 - HA GLN 104 far 0 54 0 - 9.7-12.8 QD1 LEU 98 - HA GLN 104 far 0 54 0 - 9.8-12.6 QD2 LEU 98 - HA GLN 104 far 0 34 0 - 9.8-11.3 QD2 LEU 22 - HA LEU 49 far 0 68 0 - 9.8-24.2 QD2 LEU 70 - HA LEU 48 far 0 94 0 - 9.8-16.2 QG1 VAL 133 - HA LEU 48 far 0 74 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 3153 from aliabs.peaks (0.88, 4.11, 57.89 ppm; 3.68 A): 8 out of 36 assignments used, quality = 1.00: * QD2 LEU 98 + HA LEU 98 OK 100 100 100 100 1.8-3.4 4.0=80, 2.1/3185=78...(25) QD2 LEU 48 + HA LEU 48 OK 86 86 100 100 2.7-3.9 3.8=90, ~6586=32...(27) QD1 LEU 98 + HA LEU 98 OK 76 76 100 100 3.0-4.1 4.0=80, 2.1/3193=51...(21) QD2 LEU 123 + HA LEU 49 OK 67 85 85 92 2.9-6.6 3948/3.7=25...(34) QD1 LEU 48 + HA LEU 48 OK 57 57 100 99 1.9-3.6 4.0=76, ~6586=32...(28) QD2 LEU 48 + HA LEU 49 OK 49 76 65 99 2.0-5.5 1527/2.9=34, 9205/3.7=33...(44) QD1 LEU 48 + HA LEU 49 OK 27 49 55 98 2.6-5.8 ~6600=25, ~1527=21...(43) QG2 VAL 63 + HA GLN 104 OK 25 27 95 97 1.8-5.3 11523/3.9=34...(19) QG2 VAL 57 - HA LEU 49 poor 13 54 25 - 4.8-6.3 QG1 VAL 118 - HA GLN 104 far 5 49 10 - 4.5-10.0 QG1 VAL 118 - HA LEU 98 far 5 97 5 - 4.5-7.9 QG2 VAL 20 - HA LEU 48 far 4 89 5 - 3.8-26.0 QG2 VAL 20 - HA LEU 49 far 4 79 5 - 4.4-23.7 QD2 LEU 69 - HA LEU 49 far 4 72 5 - 4.4-8.7 QD2 LEU 70 - HA LEU 98 far 4 71 5 - 5.1-8.3 QG1 VAL 20 - HA LEU 48 far 3 60 5 - 1.9-25.9 QG1 VAL 20 - HA LEU 49 far 3 51 5 - 3.8-26.0 QD2 LEU 69 - HA LEU 48 far 0 82 0 - 5.7-9.5 QD2 LEU 70 - HA GLN 104 far 0 32 0 - 6.2-11.6 QD2 LEU 123 - HA LEU 48 far 0 95 0 - 6.5-9.7 QG2 VAL 20 - HA LEU 98 far 0 97 0 - 6.7-32.6 QD1 LEU 22 - HA LEU 48 far 0 93 0 - 7.0-27.6 QG2 VAL 57 - HA LEU 48 far 0 62 0 - 7.2-9.5 QG1 VAL 118 - HA LEU 49 far 0 79 0 - 7.2-13.6 QD2 LEU 70 - HA LEU 49 far 0 54 0 - 7.3-13.2 QG2 VAL 63 - HA LEU 49 far 0 47 0 - 7.6-11.2 QD1 LEU 22 - HA GLN 104 far 0 53 0 - 8.7-30.2 QG1 VAL 20 - HA LEU 98 far 0 68 0 - 8.8-35.2 QD2 LEU 123 - HA GLN 104 far 0 54 0 - 9.0-13.4 QG2 VAL 63 - HA LEU 98 far 0 63 0 - 9.1-11.0 QD2 LEU 69 - HA GLN 104 far 0 44 0 - 9.4-16.1 QG2 VAL 57 - HA GLN 104 far 0 32 0 - 9.7-12.8 QD1 LEU 98 - HA GLN 104 far 0 34 0 - 9.8-12.6 QD2 LEU 98 - HA GLN 104 far 0 54 0 - 9.8-11.3 QD2 LEU 70 - HA LEU 48 far 0 62 0 - 9.8-16.2 QG2 VAL 20 - HA GLN 104 far 0 49 0 - 9.9-30.4 Violated in 0 structures by 0.00 A. Peak 3154 from aliabs.peaks (8.29, 4.11, 57.89 ppm; 4.97 A): 3 out of 20 assignments used, quality = 1.00: * H SER 99 + HA LEU 98 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 48 OK 91 91 100 100 3.5-3.6 3.6=100 H LEU 49 + HA LEU 49 OK 81 81 100 100 2.7-2.9 2.9=100 H ALA 21 - HA LEU 48 far 4 72 5 - 6.2-31.9 H ALA 110 - HA GLN 104 far 3 33 10 - 6.3-13.0 H GLU 30 - HA GLN 104 far 0 33 0 - 6.9-22.6 H LEU 96 - HA LEU 98 far 0 90 0 - 6.9-7.4 H LEU 69 - HA LEU 49 far 0 83 0 - 7.1-10.7 H GLU 30 - HA LEU 49 far 0 56 0 - 7.3-20.3 H LEU 123 - HA LEU 49 far 0 56 0 - 7.9-11.1 H GLU 30 - HA LEU 48 far 0 65 0 - 8.0-22.3 H ALA 110 - HA LEU 98 far 0 73 0 - 8.2-21.7 H VAL 126 - HA LEU 49 far 0 78 0 - 9.1-11.4 H LEU 69 - HA LEU 48 far 0 92 0 - 9.3-13.2 H ALA 21 - HA LEU 49 far 0 62 0 - 9.4-29.1 H LEU 69 - HA GLN 104 far 0 52 0 - 9.5-15.0 H LEU 123 - HA GLN 104 far 0 33 0 - 9.7-13.4 H ALA 21 - HA LEU 98 far 0 81 0 - 9.7-41.2 H SER 99 - HA GLN 104 far 0 54 0 - 9.9-11.3 H LEU 43 - HA LEU 48 far 0 94 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 3155 from aliabs.peaks (7.69, 4.11, 57.89 ppm; 5.20 A): 1 out of 5 assignments used, quality = 1.00: * H GLN 101 + HA LEU 98 OK 100 100 100 100 3.8-4.6 7418/3157=84...(27) H GLN 101 - HA GLN 104 far 3 54 5 - 6.5-8.7 H CYS 45 - HA LEU 48 far 0 95 0 - 6.8-8.0 H LYS 95 - HA LEU 98 far 0 93 0 - 6.8-7.9 H CYS 45 - HA LEU 49 far 0 85 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 3156 from aliabs.peaks (2.21, 4.11, 57.89 ppm; 3.89 A): 5 out of 19 assignments used, quality = 1.00: * HB2 GLN 101 + HA LEU 98 OK 100 100 100 100 3.2-5.2 1.8/3157=73, 3285=50...(20) HB3 GLU 97 + HA LEU 98 OK 92 93 100 99 3.6-4.6 ~7358=37, ~3124=34...(23) HB2 GLN 104 + HA GLN 104 OK 42 42 100 100 2.2-3.0 3.0=100 HB3 GLN 104 + HA GLN 104 OK 41 41 100 100 2.2-2.9 3.0=100 HB3 GLU 102 + HA LEU 98 OK 35 76 75 61 3.2-6.7 3.8/7442=21, 3.0/3157=11...(14) HB3 GLN 127 - HA LEU 49 far 0 70 0 - 6.3-10.7 HG2 GLN 68 - HA LEU 49 far 0 80 0 - 6.9-13.8 HB2 GLN 68 - HA LEU 49 far 0 76 0 - 7.4-12.0 HB3 GLN 104 - HA LEU 98 far 0 87 0 - 7.6-12.0 HB3 GLU 102 - HA GLN 104 far 0 34 0 - 7.6-8.9 HB3 GLN 127 - HA LEU 48 far 0 80 0 - 7.8-11.7 HB2 GLN 101 - HA GLN 104 far 0 54 0 - 7.8-9.6 HB2 GLN 104 - HA LEU 98 far 0 89 0 - 8.5-11.1 HG2 GLN 68 - HA LEU 48 far 0 90 0 - 8.6-16.1 HB3 GLN 68 - HA LEU 49 far 0 54 0 - 8.6-12.2 HG2 GLN 68 - HA GLN 104 far 0 50 0 - 9.3-15.9 HB2 GLN 68 - HA GLN 104 far 0 47 0 - 9.4-14.6 HB2 GLN 68 - HA LEU 48 far 0 86 0 - 9.4-13.5 HB3 GLU 97 - HA GLN 104 far 0 46 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 3157 from aliabs.peaks (2.30, 4.11, 57.89 ppm; 4.05 A): 2 out of 18 assignments used, quality = 1.00: * HB3 GLN 101 + HA LEU 98 OK 100 100 100 100 3.9-4.5 3295=50, 7418/3155=48...(23) HG2 GLU 102 + HA LEU 98 OK 24 65 80 45 2.2-7.1 5.0/7442=17, 3317/3315=9...(9) HG2 GLU 44 - HA LEU 48 far 4 83 5 - 5.4-9.7 HG2 GLN 61 - HA LEU 49 far 3 66 5 - 4.9-8.7 HB3 PRO 113 - HA GLN 104 far 0 30 0 - 5.8-16.9 HG2 GLU 102 - HA GLN 104 far 0 29 0 - 6.5-9.8 HG3 GLU 30 - HA GLN 104 far 0 52 0 - 7.0-24.5 HG3 GLU 30 - HA LEU 49 far 0 83 0 - 7.2-21.9 HB3 GLN 101 - HA GLN 104 far 0 54 0 - 7.7-9.9 HG2 GLU 30 - HA LEU 49 far 0 45 0 - 7.9-22.2 HG2 GLU 30 - HA GLN 104 far 0 26 0 - 8.1-25.0 HG2 GLN 61 - HA LEU 48 far 0 76 0 - 8.2-12.3 HG3 GLN 68 - HA LEU 49 far 0 68 0 - 8.3-13.1 HG2 GLU 44 - HA LEU 49 far 0 73 0 - 8.5-12.5 HB3 PRO 113 - HA LEU 49 far 0 51 0 - 8.7-18.5 HG3 GLU 30 - HA LEU 48 far 0 92 0 - 8.7-23.9 HG3 GLN 68 - HA LEU 48 far 0 78 0 - 9.2-14.9 HG2 GLN 61 - HA GLN 104 far 0 40 0 - 9.9-14.5 Violated in 4 structures by 0.02 A. Peak 3158 from aliabs.peaks (4.02, 1.65, 41.87 ppm; 3.82 A): 1 out of 7 assignments used, quality = 0.99: * HA LYS 95 + HB2 LEU 98 OK 99 100 100 99 3.7-5.1 2963/1.8=70...(15) HB3 SER 99 - HB2 LEU 98 far 3 65 5 - 5.0-7.0 HA GLU 102 - HB2 LEU 98 far 0 73 0 - 6.3-8.1 HA LEU 122 - HB2 LEU 98 far 0 92 0 - 6.9-10.7 HA LEU 96 - HB2 LEU 98 far 0 60 0 - 6.9-7.9 HA LEU 103 - HB2 LEU 98 far 0 97 0 - 8.3-10.6 HA LEU 119 - HB2 LEU 98 far 0 100 0 - 8.4-13.8 Violated in 18 structures by 0.52 A. Peak 3159 from aliabs.peaks (7.75, 1.65, 41.87 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HB2 LEU 98 OK 100 100 100 100 3.2-3.7 3.9=100 Violated in 0 structures by 0.00 A. Peak 3160 from aliabs.peaks (4.11, 1.65, 41.87 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.2-2.6 3.0=100 HA GLN 101 - HB2 LEU 98 far 0 100 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 3161 from aliabs.peaks (1.65, 1.65, 41.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 98 + HB2 LEU 98 OK 100 100 - 100 Peak 3162 from aliabs.peaks (1.78, 1.65, 41.87 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 98 + HB2 LEU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 122 - HB2 LEU 98 far 0 99 0 - 6.6-11.8 HB3 LEU 103 - HB2 LEU 98 far 0 97 0 - 8.2-9.9 HG LEU 100 - HB2 LEU 98 far 0 97 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 3163 from aliabs.peaks (1.71, 1.65, 41.87 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 70 - HB2 LEU 98 far 0 100 0 - 9.3-12.2 HB3 LEU 70 - HB2 LEU 98 far 0 100 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 3164 from aliabs.peaks (0.86, 1.65, 41.87 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.0-2.7 3.1=100 QD2 LEU 98 + HB2 LEU 98 OK 76 76 100 100 2.7-3.2 3.1=100 QD2 LEU 70 - HB2 LEU 98 far 0 100 0 - 6.8-9.8 QD2 LEU 22 - HB2 LEU 98 far 0 87 0 - 8.2-34.4 QD1 LEU 22 - HB2 LEU 98 far 0 63 0 - 9.6-34.3 Violated in 0 structures by 0.00 A. Peak 3165 from aliabs.peaks (0.88, 1.65, 41.87 ppm; 3.41 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 98 + HB2 LEU 98 OK 100 100 100 100 2.7-3.2 3.1=100 QD1 LEU 98 + HB2 LEU 98 OK 76 76 100 100 2.0-2.7 3.1=100 QG1 VAL 118 - HB2 LEU 98 far 5 97 5 - 3.7-8.4 QD2 LEU 70 - HB2 LEU 98 far 0 71 0 - 6.8-9.8 QG2 VAL 20 - HB2 LEU 98 far 0 97 0 - 7.1-34.1 QG1 VAL 20 - HB2 LEU 98 far 0 68 0 - 9.3-36.7 QD1 LEU 22 - HB2 LEU 98 far 0 100 0 - 9.6-34.3 Violated in 0 structures by 0.00 A. Peak 3166 from aliabs.peaks (8.29, 1.65, 41.87 ppm; 4.33 A): 1 out of 6 assignments used, quality = 1.00: * H SER 99 + HB2 LEU 98 OK 100 100 100 100 3.0-4.2 4.6=82, 7375/3.9=59...(19) H LEU 96 - HB2 LEU 98 far 0 90 0 - 6.7-7.6 H ALA 110 - HB2 LEU 98 far 0 73 0 - 6.9-22.7 H ALA 21 - HB2 LEU 98 far 0 81 0 - 9.4-42.8 H LEU 123 - HB2 LEU 98 far 0 73 0 - 9.8-13.2 H VAL 126 - HB2 LEU 98 far 0 96 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 3167 from aliabs.peaks (4.02, 1.78, 41.87 ppm; 4.15 A): 10 out of 29 assignments used, quality = 1.00: * HA LYS 95 + HB3 LEU 98 OK 100 100 100 100 2.2-4.3 2963=100, 3158/1.8=84...(25) HA LEU 122 + HB3 LEU 122 OK 85 85 100 100 2.2-2.5 3.0=100 HA LEU 103 + HB3 LEU 103 OK 70 70 100 100 2.9-3.0 3.0=100 HA LEU 96 + HB3 LEU 122 OK 53 54 100 98 1.9-5.0 3868/1.8=17, 3901/3.1=16...(56) HB3 SER 99 + HB3 LEU 122 OK 49 59 85 98 1.8-7.0 11702/3.1=28, ~11374=25...(29) HB3 SER 99 + HB3 LEU 98 OK 41 65 70 89 3.9-6.9 1.8/11471=27...(14) HA GLU 102 + HB3 LEU 103 OK 39 48 85 95 5.3-5.9 3.6/7474=43, ~10066=37...(17) HA LEU 96 + HB3 LEU 98 OK 30 60 55 90 5.2-7.0 4.9/2963=40, 3.6/9998=19...(24) HB3 SER 99 + HB3 LEU 103 OK 25 42 75 78 4.7-6.9 3372/1.8=25, ~11481=13...(17) HA GLU 44 + HB2 LEU 48 OK 20 73 40 69 4.8-7.1 6575/6584=44...(4) HA LEU 119 - HB3 LEU 122 far 14 96 15 - 4.6-6.8 HA LEU 122 - HB3 LEU 98 far 9 92 10 - 5.6-9.7 HA LYS 95 - HB3 LEU 122 far 5 96 5 - 5.1-9.6 HA LEU 119 - HB3 LEU 103 far 0 75 0 - 6.0-8.6 HA LEU 119 - HB3 LEU 98 far 0 100 0 - 6.6-13.7 HB3 SER 124 - HB3 LEU 122 far 0 89 0 - 7.0-8.0 HA LEU 122 - HB3 LEU 103 far 0 64 0 - 7.1-8.9 HA SER 50 - HB2 LEU 48 far 0 50 0 - 7.2-8.4 HA LEU 103 - HB3 LEU 122 far 0 91 0 - 7.2-11.1 HA GLU 102 - HB3 LEU 98 far 0 73 0 - 7.4-8.9 HA LEU 96 - HB3 LEU 103 far 0 38 0 - 7.4-9.3 HA LEU 103 - HB3 LEU 98 far 0 97 0 - 7.8-11.4 HA GLN 68 - HB3 LEU 122 far 0 71 0 - 8.2-13.7 HA ILE 37 - HB2 LEU 48 far 0 88 0 - 8.2-14.2 HA SER 60 - HB3 LEU 103 far 0 64 0 - 8.8-10.7 HA GLU 102 - HB3 LEU 122 far 0 66 0 - 9.0-11.4 HA GLN 68 - HB2 LEU 48 far 0 63 0 - 9.1-14.4 HB3 SER 124 - HB3 LEU 98 far 0 96 0 - 9.2-13.9 HA SER 50 - HB3 LEU 122 far 0 56 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 3168 from aliabs.peaks (7.75, 1.78, 41.87 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.1-3.5 3.9=100 H LEU 98 - HB3 LEU 122 poor 19 96 20 - 5.4-9.1 HE22 GLN 68 - HB2 LEU 48 far 5 52 10 - 5.1-13.8 H LEU 98 - HB3 LEU 103 far 0 76 0 - 7.8-9.5 HE22 GLN 68 - HB3 LEU 122 far 0 59 0 - 9.4-17.3 Violated in 0 structures by 0.00 A. Peak 3169 from aliabs.peaks (4.11, 1.78, 41.87 ppm; 4.04 A): 6 out of 15 assignments used, quality = 1.00: * HA LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 49 + HB2 LEU 48 OK 88 89 100 99 3.9-5.5 2.9/6598=58...(39) HA LEU 48 + HB2 LEU 48 OK 87 87 100 100 2.2-3.0 3.0=100 HA CYS 45 + HB2 LEU 48 OK 85 85 100 100 2.5-4.8 1437=78, 1438/1.8=68...(16) HA GLN 104 + HB3 LEU 103 OK 58 59 100 99 4.2-5.2 3.0/7488=53, 11431=34...(25) HA GLN 101 + HB3 LEU 103 OK 54 76 85 84 4.8-6.1 3282/4.6=30...(15) HA LEU 98 - HB3 LEU 122 far 0 96 0 - 6.5-10.4 HA GLN 101 - HB3 LEU 122 far 0 96 0 - 6.6-8.3 HA LEU 98 - HB3 LEU 103 far 0 76 0 - 7.1-8.5 HA ALA 52 - HB2 LEU 48 far 0 57 0 - 7.2-9.1 HA GLN 101 - HB3 LEU 98 far 0 100 0 - 7.7-8.2 HA GLN 104 - HB3 LEU 122 far 0 80 0 - 7.7-11.3 HA ILE 32 - HB2 LEU 48 far 0 89 0 - 7.8-20.3 HA LEU 49 - HB3 LEU 122 far 0 96 0 - 9.1-12.6 HA3 GLY 114 - HB3 LEU 103 far 0 61 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 3170 from aliabs.peaks (1.65, 1.78, 41.87 ppm; 3.05 A): 2 out of 38 assignments used, quality = 1.00: * HB2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 95 + HB3 LEU 98 OK 20 95 35 61 3.6-8.7 5.0/2963=19, 3178/3.0=9...(23) HD3 LYS 24 - HB3 LEU 98 far 5 99 5 - 4.2-35.7 HD2 LYS 24 - HB3 LEU 98 far 0 92 0 - 4.6-36.8 HD2 LYS 95 - HB3 LEU 98 far 0 99 0 - 4.7-9.5 HB2 LEU 69 - HB3 LEU 122 far 0 95 0 - 5.0-11.6 HB2 LEU 123 - HB3 LEU 122 far 0 96 0 - 5.3-7.2 HD3 LYS 36 - HB2 LEU 48 far 0 77 0 - 5.4-16.0 HG LEU 119 - HB3 LEU 103 far 0 48 0 - 5.8-10.5 HD2 LYS 31 - HB2 LEU 48 far 0 84 0 - 6.0-24.3 HD2 LYS 36 - HB2 LEU 48 far 0 75 0 - 6.0-17.2 HG LEU 62 - HB3 LEU 103 far 0 75 0 - 6.0-11.2 HD3 LYS 24 - HB2 LEU 48 far 0 86 0 - 6.2-28.4 HD3 LYS 26 - HB2 LEU 48 far 0 75 0 - 6.3-29.6 HD2 LYS 24 - HB2 LEU 48 far 0 77 0 - 6.4-29.8 HB2 LEU 69 - HB2 LEU 48 far 0 88 0 - 6.6-11.7 HG LEU 62 - HB3 LEU 122 far 0 96 0 - 6.6-10.3 HB2 LEU 98 - HB3 LEU 122 far 0 96 0 - 6.6-11.8 HD3 LYS 31 - HB2 LEU 48 far 0 81 0 - 6.7-23.0 HD2 LYS 26 - HB2 LEU 48 far 0 80 0 - 6.9-30.1 HG LEU 62 - HB2 LEU 48 far 0 89 0 - 7.1-13.8 HG LEU 119 - HB3 LEU 122 far 0 66 0 - 7.2-9.8 HD2 LYS 19 - HB2 LEU 48 far 0 88 0 - 7.3-36.4 HD3 LYS 24 - HB3 LEU 122 far 0 94 0 - 7.3-30.5 HG3 ARG 23 - HB3 LEU 98 far 0 68 0 - 7.5-37.9 HD2 LYS 95 - HB3 LEU 122 far 0 93 0 - 7.7-12.7 HD3 LYS 95 - HB3 LEU 122 far 0 88 0 - 7.8-11.4 HB2 LEU 98 - HB3 LEU 103 far 0 76 0 - 8.2-9.9 HD2 LYS 24 - HB3 LEU 122 far 0 85 0 - 8.2-31.5 HD3 LYS 19 - HB2 LEU 48 far 0 88 0 - 8.4-37.8 HB2 LEU 123 - HB3 LEU 103 far 0 75 0 - 8.7-11.8 HG LEU 119 - HB3 LEU 98 far 0 73 0 - 8.8-15.8 HD3 LYS 26 - HB3 LEU 103 far 0 62 0 - 8.8-25.3 HG3 ARG 23 - HB2 LEU 48 far 0 54 0 - 8.9-30.4 HG LEU 22 - HB2 LEU 48 far 0 57 0 - 8.9-31.1 HB2 LEU 123 - HB2 LEU 48 far 0 88 0 - 9.3-15.1 HB3 LEU 22 - HB3 LEU 98 far 0 60 0 - 9.8-37.6 HB2 LEU 69 - HB3 LEU 103 far 0 75 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 3171 from aliabs.peaks (1.78, 1.78, 41.87 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 98 + HB3 LEU 98 OK 100 100 - 100 HB3 LEU 122 + HB3 LEU 122 OK 94 94 - 100 HB2 LEU 48 + HB2 LEU 48 OK 88 88 - 100 HB3 LEU 103 + HB3 LEU 103 OK 70 70 - 100 Peak 3172 from aliabs.peaks (1.71, 1.78, 41.87 ppm; 4.74 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.2-3.0 3.0=100 HG LEU 48 + HB2 LEU 48 OK 88 88 100 100 2.3-2.9 3.0=100 HB2 LEU 70 + HB3 LEU 122 OK 23 95 25 97 3.8-8.4 3.2/3173=20, 3.2/3895=18...(54) HB3 LEU 70 - HB3 LEU 122 far 14 95 15 - 4.3-8.6 HG LEU 98 - HB3 LEU 122 far 5 96 5 - 6.2-11.4 HB2 LEU 70 - HB3 LEU 103 far 0 75 0 - 8.1-10.4 HB2 LEU 70 - HB3 LEU 98 far 0 100 0 - 8.3-10.9 HB3 LEU 70 - HB3 LEU 103 far 0 74 0 - 8.3-10.3 HB3 LEU 70 - HB3 LEU 98 far 0 100 0 - 8.4-11.0 HB2 LEU 43 - HB2 LEU 48 far 0 87 0 - 8.8-11.5 HG LEU 98 - HB3 LEU 103 far 0 76 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3173 from aliabs.peaks (0.86, 1.78, 41.87 ppm; 3.86 A): 3 out of 27 assignments used, quality = 1.00: * QD1 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 98 + HB3 LEU 98 OK 76 76 100 100 2.4-3.1 3.1=100 QD2 LEU 70 + HB3 LEU 122 OK 69 96 75 96 3.1-6.2 2272/3.0=21, 2.1/3895=16...(57) QD2 LEU 123 - HB3 LEU 122 poor 17 69 35 71 3.8-6.7 3944/4.3=25, 2266/3.1=13...(22) QD1 LEU 98 - HB3 LEU 122 far 14 96 15 - 5.1-10.4 QD2 LEU 69 - HB3 LEU 122 far 9 94 10 - 5.1-10.3 QD2 LEU 70 - HB3 LEU 103 far 8 75 10 - 5.0-9.6 QD2 LEU 98 - HB3 LEU 122 lone 4 69 30 19 3.2-8.7 7380/7378=5...(7) QD2 LEU 69 - HB2 LEU 48 far 0 86 0 - 5.4-9.3 QG2 ILE 32 - HB2 LEU 48 far 0 68 0 - 5.8-14.7 QD2 LEU 123 - HB2 LEU 48 far 0 61 0 - 5.9-10.9 QD2 LEU 70 - HB3 LEU 98 far 0 100 0 - 6.3-9.1 QD2 LEU 98 - HB3 LEU 103 far 0 50 0 - 6.4-9.0 QD1 LEU 98 - HB3 LEU 103 far 0 76 0 - 6.6-10.0 QD2 LEU 123 - HB3 LEU 103 far 0 50 0 - 7.0-10.2 QG2 VAL 57 - HB2 LEU 48 far 0 88 0 - 7.3-10.4 QD2 LEU 70 - HB2 LEU 48 far 0 88 0 - 7.9-15.4 QD1 LEU 22 - HB2 LEU 48 far 0 50 0 - 8.3-27.7 QD2 LEU 69 - HB3 LEU 103 far 0 73 0 - 8.4-12.9 QD2 LEU 22 - HB3 LEU 98 far 0 87 0 - 8.4-33.3 QD2 LEU 22 - HB2 LEU 48 far 0 71 0 - 8.8-25.9 QG2 VAL 57 - HB3 LEU 122 far 0 96 0 - 9.1-11.9 QG2 ILE 32 - HB3 LEU 122 far 0 75 0 - 9.2-16.3 QG2 VAL 57 - HB3 LEU 103 far 0 75 0 - 9.3-11.6 QG1 VAL 133 - HB2 LEU 48 far 0 68 0 - 9.7-14.5 QD2 LEU 123 - HB3 LEU 98 far 0 76 0 - 9.8-13.5 QD2 LEU 69 - HB3 LEU 98 far 0 99 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3174 from aliabs.peaks (0.88, 1.78, 41.87 ppm; 3.63 A): 9 out of 37 assignments used, quality = 1.00: * QD2 LEU 98 + HB3 LEU 98 OK 100 100 100 100 2.4-3.1 3.1=100 QG1 VAL 118 + HB3 LEU 122 OK 87 90 100 96 1.8-4.7 390/1.8=33, 11612/3.1=21...(32) QD2 LEU 48 + HB2 LEU 48 OK 80 80 100 100 2.0-3.2 3.1=100 QD1 LEU 98 + HB3 LEU 98 OK 76 76 100 100 2.0-3.2 3.1=100 QG1 VAL 118 + HB3 LEU 103 OK 65 69 95 100 1.9-6.5 10261/1.8=38...(34) QD1 LEU 48 + HB2 LEU 48 OK 52 52 100 100 2.0-3.2 3.1=100 QD2 LEU 70 + HB3 LEU 122 OK 43 64 75 89 3.1-6.2 2.1/3895=15, 2272/3.0=11...(52) QG2 VAL 63 + HB3 LEU 103 OK 39 40 100 97 2.9-4.5 ~10965=24, 2.1/10963=24...(27) QD2 LEU 123 + HB3 LEU 122 OK 23 96 30 79 3.8-6.7 3944/4.3=34...(21) QD2 LEU 98 - HB3 LEU 122 poor 5 96 25 22 3.2-8.7 3199/7378=4...(8) QG1 VAL 118 - HB3 LEU 98 far 5 97 5 - 2.3-8.4 QD2 LEU 69 - HB3 LEU 122 far 4 83 5 - 5.1-10.3 QG2 VAL 20 - HB2 LEU 48 far 4 82 5 - 3.2-24.3 QD1 LEU 98 - HB3 LEU 122 far 3 69 5 - 5.1-10.4 QG1 VAL 20 - HB2 LEU 48 far 3 54 5 - 3.2-24.6 QD2 LEU 70 - HB3 LEU 103 far 2 46 5 - 5.0-9.6 QD2 LEU 69 - HB2 LEU 48 far 0 75 0 - 5.4-9.3 QG2 VAL 63 - HB3 LEU 122 far 0 56 0 - 5.8-8.4 QD2 LEU 123 - HB2 LEU 48 far 0 89 0 - 5.9-10.9 QD2 LEU 70 - HB3 LEU 98 far 0 71 0 - 6.3-9.1 QD2 LEU 98 - HB3 LEU 103 far 0 76 0 - 6.4-9.0 QD1 LEU 98 - HB3 LEU 103 far 0 50 0 - 6.6-10.0 QD2 LEU 123 - HB3 LEU 103 far 0 76 0 - 7.0-10.2 QG2 VAL 57 - HB2 LEU 48 far 0 57 0 - 7.3-10.4 QG2 VAL 20 - HB3 LEU 98 far 0 97 0 - 7.9-33.2 QD2 LEU 70 - HB2 LEU 48 far 0 57 0 - 7.9-15.4 QD2 LEU 48 - HB3 LEU 122 far 0 88 0 - 8.1-13.3 QD1 LEU 22 - HB2 LEU 48 far 0 87 0 - 8.3-27.7 QD2 LEU 69 - HB3 LEU 103 far 0 62 0 - 8.4-12.9 QD1 LEU 48 - HB3 LEU 122 far 0 59 0 - 9.0-14.7 QG2 VAL 57 - HB3 LEU 122 far 0 64 0 - 9.1-11.9 QG2 VAL 63 - HB2 LEU 48 far 0 50 0 - 9.2-14.5 QG2 VAL 57 - HB3 LEU 103 far 0 46 0 - 9.3-11.6 QG2 VAL 20 - HB3 LEU 103 far 0 69 0 - 9.6-30.1 QG1 VAL 20 - HB3 LEU 98 far 0 68 0 - 9.7-35.8 QD2 LEU 123 - HB3 LEU 98 far 0 100 0 - 9.8-13.5 QD2 LEU 69 - HB3 LEU 98 far 0 90 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3175 from aliabs.peaks (8.29, 1.78, 41.87 ppm; 4.74 A): 7 out of 24 assignments used, quality = 1.00: * H SER 99 + HB3 LEU 98 OK 100 100 100 100 2.2-3.8 4.6=100 H VAL 126 + HB3 LEU 122 OK 87 89 100 97 4.2-5.5 4.7/11653=42...(20) H LEU 49 + HB2 LEU 48 OK 84 84 100 100 2.1-4.1 4.6=100 H LEU 96 + HB3 LEU 98 OK 82 90 95 96 5.0-6.3 3.6/2963=70...(14) H SER 99 + HB3 LEU 122 OK 79 96 85 97 3.1-7.8 7378=31, 11382/3.1=27...(35) H LEU 123 + HB3 LEU 122 OK 66 66 100 100 3.7-4.2 4.3=100 H LEU 96 + HB3 LEU 122 OK 57 83 70 98 4.4-7.1 2.9/3858=20...(43) H SER 99 - HB3 LEU 103 poor 15 76 20 - 6.0-7.6 H GLU 30 - HB2 LEU 48 far 6 59 10 - 6.1-21.8 H LEU 69 - HB3 LEU 122 far 5 94 5 - 5.9-12.0 H LEU 69 - HB2 LEU 48 far 0 86 0 - 6.4-11.8 H ALA 110 - HB3 LEU 103 far 0 48 0 - 7.3-13.6 H ALA 110 - HB3 LEU 98 far 0 73 0 - 7.6-22.6 H LEU 123 - HB3 LEU 103 far 0 48 0 - 7.7-9.0 H ALA 21 - HB2 LEU 48 far 0 65 0 - 7.9-30.5 H ALA 110 - HB3 LEU 122 far 0 66 0 - 8.1-17.9 H VAL 126 - HB3 LEU 98 far 0 96 0 - 8.3-12.3 H LEU 43 - HB2 LEU 48 far 0 88 0 - 8.7-11.2 H TYR 72 - HB3 LEU 122 far 0 51 0 - 8.7-12.6 H LEU 123 - HB3 LEU 98 far 0 73 0 - 8.8-12.5 H LEU 49 - HB3 LEU 122 far 0 92 0 - 9.0-13.1 H ALA 21 - HB3 LEU 98 far 0 81 0 - 9.7-41.6 H LEU 96 - HB3 LEU 103 far 0 62 0 - 9.8-11.3 H VAL 126 - HB3 LEU 103 far 0 68 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3176 from aliabs.peaks (7.75, 1.71, 26.70 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 98 + HG LEU 98 OK 100 100 100 100 2.0-4.2 7365=100, 3192/2.1=86...(21) HE22 GLN 68 - HG LEU 48 poor 15 62 25 - 3.9-12.5 H GLU 55 - HG LEU 48 far 0 98 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 3177 from aliabs.peaks (4.11, 1.71, 26.70 ppm; 3.88 A): 4 out of 7 assignments used, quality = 1.00: * HA LEU 98 + HG LEU 98 OK 100 100 100 100 2.9-4.3 3.7=100 HA LEU 48 + HG LEU 48 OK 97 97 100 100 3.1-4.2 3.7=100 HA CYS 45 + HG LEU 48 OK 95 96 100 99 3.3-4.9 10886=51, 1438/3.0=50...(14) HA LEU 49 + HG LEU 48 OK 53 98 55 99 2.8-6.5 2.9/6600=44...(32) HA ALA 52 - HG LEU 48 far 0 67 0 - 6.0-10.0 HA ILE 32 - HG LEU 48 far 0 98 0 - 7.4-18.8 HA GLN 101 - HG LEU 98 far 0 100 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 3178 from aliabs.peaks (1.65, 1.71, 26.70 ppm; 4.74 A): 3 out of 22 assignments used, quality = 1.00: * HB2 LEU 98 + HG LEU 98 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 95 + HG LEU 98 OK 64 95 75 90 2.6-7.5 5.0/11468=52...(21) HD2 LYS 95 + HG LEU 98 OK 53 99 60 89 3.4-8.1 5.0/11468=52...(22) HD3 LYS 24 - HG LEU 48 far 10 96 10 - 5.2-26.6 HD2 LYS 31 - HG LEU 48 far 9 95 10 - 5.5-23.7 HD2 LYS 24 - HG LEU 48 far 9 88 10 - 5.5-28.0 HD3 LYS 26 - HG LEU 48 far 9 86 10 - 4.5-27.9 HD3 LYS 24 - HG LEU 98 far 5 99 5 - 5.2-35.7 HD2 LYS 19 - HG LEU 48 far 5 98 5 - 5.9-34.2 HD2 LYS 24 - HG LEU 98 far 5 92 5 - 4.7-36.7 HD3 LYS 31 - HG LEU 48 far 5 92 5 - 6.0-22.5 HD2 LYS 26 - HG LEU 48 far 5 91 5 - 5.3-28.4 HD3 LYS 36 - HG LEU 48 far 4 88 5 - 4.4-15.3 HD2 LYS 36 - HG LEU 48 far 4 86 5 - 4.5-16.4 HB2 LEU 69 - HG LEU 48 far 0 98 0 - 6.4-11.7 HD3 LYS 19 - HG LEU 48 far 0 98 0 - 6.8-35.6 HG LEU 22 - HG LEU 48 far 0 67 0 - 6.9-29.4 HG LEU 62 - HG LEU 48 far 0 98 0 - 7.1-15.3 HG3 ARG 23 - HG LEU 48 far 0 64 0 - 7.5-28.2 HG3 ARG 23 - HG LEU 98 far 0 68 0 - 8.5-37.8 HB3 LEU 22 - HG LEU 48 far 0 56 0 - 9.1-29.6 HD2 LYS 26 - HG LEU 98 far 0 95 0 - 9.9-30.0 Violated in 0 structures by 0.00 A. Peak 3179 from aliabs.peaks (1.78, 1.71, 26.70 ppm; 4.74 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 98 + HG LEU 98 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 48 + HG LEU 48 OK 98 98 100 100 2.3-2.9 3.0=100 HB3 LEU 122 - HG LEU 98 far 5 99 5 - 6.2-11.4 HB3 LYS 19 - HG LEU 48 far 3 69 5 - 4.2-32.0 HB3 LYS 31 - HG LEU 48 far 0 56 0 - 7.0-23.1 HB ILE 32 - HG LEU 48 far 0 59 0 - 7.0-16.7 HB3 LEU 103 - HG LEU 98 far 0 97 0 - 9.5-11.1 HG LEU 100 - HG LEU 98 far 0 97 0 - 9.8-11.2 HG LEU 100 - HG LEU 48 far 0 94 0 - 9.8-19.3 Violated in 0 structures by 0.00 A. Peak 3180 from aliabs.peaks (1.71, 1.71, 26.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 98 + HG LEU 98 OK 100 100 - 100 HG LEU 48 + HG LEU 48 OK 98 98 - 100 Peak 3181 from aliabs.peaks (0.86, 1.71, 26.70 ppm; 2.99 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 98 + HG LEU 98 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 98 + HG LEU 98 OK 76 76 100 100 2.1-2.1 2.1=100 QD2 LEU 69 - HG LEU 48 far 5 96 5 - 4.3-9.4 QG2 ILE 32 - HG LEU 48 far 0 79 0 - 4.9-13.4 QD2 LEU 70 - HG LEU 98 far 0 100 0 - 5.9-9.9 QD2 LEU 123 - HG LEU 48 far 0 72 0 - 6.2-10.6 QD1 LEU 22 - HG LEU 48 far 0 59 0 - 6.4-26.4 QG2 VAL 57 - HG LEU 48 far 0 98 0 - 6.6-11.5 QD2 LEU 22 - HG LEU 48 far 0 83 0 - 7.7-24.7 QD2 LEU 70 - HG LEU 48 far 0 98 0 - 8.0-15.3 QD2 LEU 22 - HG LEU 98 far 0 87 0 - 10.0-33.4 Violated in 0 structures by 0.00 A. Peak 3182 from aliabs.peaks (0.88, 1.71, 26.70 ppm; 3.27 A): 4 out of 15 assignments used, quality = 1.00: * QD2 LEU 98 + HG LEU 98 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 48 + HG LEU 48 OK 91 91 100 100 2.1-2.1 2.1=100 QD1 LEU 98 + HG LEU 98 OK 76 76 100 100 2.1-2.1 2.1=100 QD1 LEU 48 + HG LEU 48 OK 62 62 100 100 2.1-2.1 2.1=100 QG1 VAL 118 - HG LEU 98 far 5 97 5 - 4.3-9.1 QG2 VAL 20 - HG LEU 48 far 5 93 5 - 3.3-24.8 QD2 LEU 69 - HG LEU 48 far 4 86 5 - 4.3-9.4 QG1 VAL 20 - HG LEU 48 far 3 64 5 - 3.3-23.9 QD2 LEU 70 - HG LEU 98 far 0 71 0 - 5.9-9.9 QD2 LEU 123 - HG LEU 48 far 0 98 0 - 6.2-10.6 QD1 LEU 22 - HG LEU 48 far 0 97 0 - 6.4-26.4 QG2 VAL 57 - HG LEU 48 far 0 67 0 - 6.6-11.5 QD2 LEU 70 - HG LEU 48 far 0 67 0 - 8.0-15.3 QG2 VAL 20 - HG LEU 98 far 0 97 0 - 8.9-33.1 QG2 VAL 63 - HG LEU 48 far 0 59 0 - 9.4-15.5 Violated in 0 structures by 0.00 A. Peak 3183 from aliabs.peaks (8.29, 1.71, 26.70 ppm; 4.95 A): 3 out of 9 assignments used, quality = 1.00: * H SER 99 + HG LEU 98 OK 100 100 100 100 3.6-4.9 3191/2.1=85, 3166/3.0=77...(18) H LEU 49 + HG LEU 48 OK 95 95 100 100 2.7-4.8 6600=97, 6589/6586=79...(42) H LEU 96 + HG LEU 98 OK 85 90 95 99 4.8-7.5 3.6/11468=77...(20) H GLU 30 - HG LEU 48 poor 17 69 25 - 5.2-20.5 H ALA 21 - HG LEU 48 far 0 76 0 - 6.6-28.2 H LEU 69 - HG LEU 48 far 0 96 0 - 6.8-11.8 H VAL 126 - HG LEU 98 far 0 96 0 - 9.2-12.5 H GLU 30 - HG LEU 98 far 0 73 0 - 9.4-25.8 H ALA 110 - HG LEU 98 far 0 73 0 - 9.5-24.5 Violated in 0 structures by 0.00 A. Peak 3184 from aliabs.peaks (7.75, 0.86, 23.69 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + QD1 LEU 98 OK 100 100 100 100 3.2-4.3 3176/2.1=90, 2.9/3185=87...(24) Violated in 0 structures by 0.00 A. Peak 3185 from aliabs.peaks (4.11, 0.86, 23.69 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 98 + QD1 LEU 98 OK 99 100 100 99 3.0-4.1 4.0=57, 2.9/3184=33...(20) HA GLN 101 - QD1 LEU 98 far 0 100 0 - 7.2-8.5 HA GLN 104 - QD1 LEU 98 far 0 87 0 - 9.8-12.6 Violated in 7 structures by 0.11 A. Peak 3186 from aliabs.peaks (1.65, 0.86, 23.69 ppm; 3.70 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.0-2.7 3.1=100 HD3 LYS 95 + QD1 LEU 98 OK 32 95 45 75 3.1-7.5 5.0/11469=24...(20) HD2 LYS 95 + QD1 LEU 98 OK 29 99 40 73 3.0-7.5 5.0/11469=24...(20) HD3 LYS 24 - QD1 LEU 98 far 5 99 5 - 2.3-31.5 HD2 LYS 24 - QD1 LEU 98 far 5 92 5 - 2.1-32.5 HG3 ARG 23 - QD1 LEU 98 far 0 68 0 - 7.3-33.3 HB3 LEU 22 - QD1 LEU 98 far 0 60 0 - 8.1-33.3 HD2 LYS 26 - QD1 LEU 98 far 0 95 0 - 8.4-26.3 HG LEU 119 - QD1 LEU 98 far 0 73 0 - 8.9-14.0 HD3 LYS 26 - QD1 LEU 98 far 0 90 0 - 9.0-27.3 HG LEU 22 - QD1 LEU 98 far 0 71 0 - 9.2-35.5 HB2 LEU 123 - QD1 LEU 98 far 0 100 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 3187 from aliabs.peaks (1.78, 0.86, 23.69 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 122 - QD1 LEU 98 far 5 99 5 - 5.1-10.4 HB3 LEU 103 - QD1 LEU 98 far 0 97 0 - 6.6-10.0 HG LEU 100 - QD1 LEU 98 far 0 97 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 3188 from aliabs.peaks (1.71, 0.86, 23.69 ppm; 2.90 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 98 + QD1 LEU 98 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 70 - QD1 LEU 98 far 0 100 0 - 8.3-11.0 HB2 LEU 70 - QD1 LEU 98 far 0 100 0 - 8.4-11.3 HG3 ARG 90 - QD1 LEU 98 far 0 63 0 - 8.9-13.8 Violated in 0 structures by 0.00 A. Peak 3189 from aliabs.peaks (0.86, 0.86, 23.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 98 + QD1 LEU 98 OK 100 100 - 100 Peak 3190 from aliabs.peaks (0.88, 0.86, 23.69 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: QD1 LEU 98 + QD1 LEU 98 OK 76 76 - 100 Reference assignment not found: QD2 LEU 98 - QD1 LEU 98 Peak 3191 from aliabs.peaks (8.29, 0.86, 23.69 ppm; 4.51 A): 1 out of 7 assignments used, quality = 1.00: * H SER 99 + QD1 LEU 98 OK 100 100 100 100 2.3-4.8 3.6/3185=75, 3166/3.1=65...(23) H LEU 96 - QD1 LEU 98 poor 18 90 20 - 4.6-6.7 H ALA 110 - QD1 LEU 98 far 0 73 0 - 7.3-21.1 H VAL 126 - QD1 LEU 98 far 0 96 0 - 7.8-11.3 H LEU 123 - QD1 LEU 98 far 0 73 0 - 7.8-12.0 H ALA 21 - QD1 LEU 98 far 0 81 0 - 9.3-36.5 H GLU 30 - QD1 LEU 98 far 0 73 0 - 9.5-22.6 Violated in 12 structures by 0.09 A. Peak 3192 from aliabs.peaks (7.75, 0.88, 24.09 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 98 + QD2 LEU 98 OK 100 100 100 100 1.6-2.7 3176/2.1=71, 7364/3.1=59...(24) HE22 GLN 68 - QD2 LEU 48 poor 11 42 25 - 3.9-10.2 H GLU 55 - QD2 LEU 48 far 0 75 0 - 7.6-11.4 Violated in 0 structures by 0.00 A. Peak 3193 from aliabs.peaks (4.11, 0.88, 24.09 ppm; 3.11 A): 4 out of 9 assignments used, quality = 1.00: * HA LEU 98 + QD2 LEU 98 OK 98 100 100 98 1.8-3.4 4.0=48, 2.9/3192=39...(25) HA LEU 48 + QD2 LEU 48 OK 71 73 100 97 2.7-3.9 3.8=55, ~6586=21...(24) HA CYS 45 + QD2 LEU 48 OK 50 72 75 92 1.7-5.4 1438/3.1=30, 1437/3.1=29...(20) HA LEU 49 + QD2 LEU 48 OK 39 75 55 95 2.0-5.5 2.9/1527=20, 3.7/9205=19...(41) HA ALA 52 - QD2 LEU 48 far 0 46 0 - 4.7-8.9 HA GLN 101 - QD2 LEU 98 far 0 100 0 - 5.8-6.8 HA ILE 32 - QD2 LEU 48 far 0 75 0 - 5.9-17.1 HA GLN 104 - QD2 LEU 98 far 0 87 0 - 9.8-11.3 HA PHE 89 - QD2 LEU 98 far 0 81 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 3194 from aliabs.peaks (1.65, 0.88, 24.09 ppm; 3.38 A): 2 out of 29 assignments used, quality = 1.00: * HB2 LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.7-3.2 3.1=100 HD3 LYS 95 + QD2 LEU 98 OK 28 95 45 66 3.4-8.2 5.0/11470=21...(16) HD2 LYS 95 - QD2 LEU 98 poor 19 99 30 64 4.1-7.3 5.0/11470=21, ~3178=9...(16) HD3 LYS 24 - QD2 LEU 98 far 5 99 5 - 4.1-29.5 HD2 LYS 24 - QD2 LEU 98 far 5 92 5 - 4.4-30.5 HG LEU 62 - QD2 LEU 48 far 4 75 5 - 4.2-12.2 HD3 LYS 24 - QD2 LEU 48 far 4 73 5 - 3.3-22.4 HD2 LYS 26 - QD2 LEU 48 far 3 67 5 - 3.9-23.9 HD2 LYS 24 - QD2 LEU 48 far 3 64 5 - 4.0-23.4 HD3 LYS 26 - QD2 LEU 48 far 3 62 5 - 3.0-23.5 HD2 LYS 36 - QD2 LEU 48 far 0 62 0 - 5.0-15.2 HD2 LYS 19 - QD2 LEU 48 far 0 75 0 - 5.1-28.6 HD2 LYS 31 - QD2 LEU 48 far 0 71 0 - 5.2-21.2 HB2 LEU 69 - QD2 LEU 48 far 0 75 0 - 5.3-9.3 HD3 LYS 36 - QD2 LEU 48 far 0 64 0 - 5.4-14.4 HD3 LYS 31 - QD2 LEU 48 far 0 68 0 - 5.5-20.2 HD3 LYS 19 - QD2 LEU 48 far 0 75 0 - 6.3-29.8 HB2 LEU 123 - QD2 LEU 48 far 0 75 0 - 7.3-10.8 HG LEU 22 - QD2 LEU 48 far 0 46 0 - 7.5-24.1 HG LEU 43 - QD2 LEU 48 far 0 75 0 - 7.6-11.7 HB2 LEU 123 - QD2 LEU 98 far 0 100 0 - 8.0-12.6 HG3 ARG 23 - QD2 LEU 48 far 0 44 0 - 8.1-23.1 HG LEU 119 - QD2 LEU 48 far 0 48 0 - 8.1-15.3 HG LEU 119 - QD2 LEU 98 far 0 73 0 - 8.3-13.7 HG3 ARG 23 - QD2 LEU 98 far 0 68 0 - 8.4-31.0 HB3 LEU 22 - QD2 LEU 48 far 0 38 0 - 9.3-24.3 HB2 LEU 69 - QD2 LEU 98 far 0 100 0 - 9.9-12.8 HD3 LYS 26 - QD2 LEU 98 far 0 90 0 - 9.9-26.0 QB ALA 88 - QD2 LEU 98 far 0 89 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 3195 from aliabs.peaks (1.78, 0.88, 24.09 ppm; 3.10 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 98 + QD2 LEU 98 OK 99 100 100 99 2.4-3.1 3.1=99 HB2 LEU 48 + QD2 LEU 48 OK 74 75 100 100 2.0-3.2 3.1=98, 6584/5.0=21...(23) HB3 LEU 122 - QD2 LEU 98 lone 3 99 25 13 3.2-8.7 7378/3199=3...(6) HB3 LYS 19 - QD2 LEU 48 far 2 48 5 - 4.4-26.9 HB ILE 32 - QD2 LEU 48 far 0 40 0 - 5.2-15.3 HB3 LYS 31 - QD2 LEU 48 far 0 38 0 - 6.3-20.4 HB3 LEU 103 - QD2 LEU 98 far 0 97 0 - 6.4-9.0 HG LEU 100 - QD2 LEU 98 far 0 97 0 - 6.8-8.6 HB3 LEU 122 - QD2 LEU 48 far 0 73 0 - 8.1-13.3 HG LEU 100 - QD2 LEU 48 far 0 70 0 - 8.2-14.9 Violated in 0 structures by 0.00 A. Peak 3196 from aliabs.peaks (1.71, 0.88, 24.09 ppm; 2.83 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 98 + QD2 LEU 98 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 48 + QD2 LEU 48 OK 75 75 100 100 2.1-2.1 2.1=100 HB2 LEU 70 - QD2 LEU 98 far 0 100 0 - 5.8-9.1 HB2 LEU 43 - QD2 LEU 48 far 0 73 0 - 6.6-10.5 HB3 LEU 70 - QD2 LEU 98 far 0 100 0 - 6.9-8.9 HG3 ARG 90 - QD2 LEU 98 far 0 63 0 - 7.9-12.3 HB2 LEU 70 - QD2 LEU 48 far 0 75 0 - 9.2-12.4 HB3 LEU 70 - QD2 LEU 48 far 0 74 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 3197 from aliabs.peaks (0.86, 0.88, 24.09 ppm; diagonal): 1 out of 1 assignment used, quality = 0.76: QD2 LEU 98 + QD2 LEU 98 OK 76 76 - 100 Reference assignment not found: QD1 LEU 98 - QD2 LEU 98 Peak 3198 from aliabs.peaks (0.88, 0.88, 24.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 98 + QD2 LEU 98 OK 100 100 - 100 QD2 LEU 48 + QD2 LEU 48 OK 67 67 - 100 Peak 3199 from aliabs.peaks (8.29, 0.88, 24.09 ppm; 4.25 A): 3 out of 16 assignments used, quality = 1.00: * H SER 99 + QD2 LEU 98 OK 100 100 100 100 1.3-4.2 3166/3.1=59...(25) H LEU 96 + QD2 LEU 98 OK 81 90 95 95 2.6-5.8 3.6/11470=54, 11355=25...(27) H LEU 49 + QD2 LEU 48 OK 71 71 100 100 1.9-3.3 6598/3.1=60, 6600/2.1=59...(57) H GLU 30 - QD2 LEU 48 far 7 48 15 - 4.5-17.9 H LEU 69 - QD2 LEU 48 far 4 73 5 - 5.5-9.2 H VAL 126 - QD2 LEU 98 far 0 96 0 - 6.1-10.3 H LEU 123 - QD2 LEU 98 far 0 73 0 - 6.4-10.9 H LEU 43 - QD2 LEU 48 far 0 75 0 - 6.5-10.6 H ALA 21 - QD2 LEU 48 far 0 54 0 - 7.0-23.4 H LEU 123 - QD2 LEU 48 far 0 48 0 - 8.3-12.3 H ALA 110 - QD2 LEU 98 far 0 73 0 - 8.4-20.2 H TYR 72 - QD2 LEU 48 far 0 36 0 - 8.7-12.7 H VAL 126 - QD2 LEU 48 far 0 68 0 - 8.8-11.5 H GLU 30 - QD2 LEU 98 far 0 73 0 - 8.9-20.7 H GLU 40 - QD2 LEU 48 far 0 75 0 - 9.0-14.3 H ASP 131 - QD2 LEU 48 far 0 57 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 3200 from aliabs.peaks (8.29, 4.22, 62.42 ppm; 4.31 A): 1 out of 5 assignments used, quality = 1.00: * H SER 99 + HA SER 99 OK 100 100 100 100 2.8-2.9 2.9=100 H ALA 110 - HA SER 99 far 4 73 5 - 4.4-18.8 H LEU 123 - HA SER 99 far 0 73 0 - 7.2-9.5 H LEU 96 - HA SER 99 far 0 90 0 - 7.3-8.4 H VAL 126 - HA SER 99 far 0 96 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 3201 from aliabs.peaks (4.22, 4.22, 62.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 99 + HA SER 99 OK 100 100 - 100 Peak 3202 from aliabs.peaks (3.76, 4.22, 62.42 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 99 + HA SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 97 - HA SER 99 far 0 100 0 - 6.0-7.2 Violated in 0 structures by 0.00 A. Peak 3203 from aliabs.peaks (4.00, 4.22, 62.42 ppm; 4.01 A): 2 out of 6 assignments used, quality = 1.00: * HB3 SER 99 + HA SER 99 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 103 + HA SER 99 OK 31 89 45 79 4.4-7.1 4.1/11481=21...(19) HA LEU 119 - HA SER 99 far 3 63 5 - 3.8-9.5 HA LYS 95 - HA SER 99 far 0 65 0 - 5.8-7.0 HB3 SER 106 - HA SER 99 far 0 87 0 - 6.7-14.5 HB3 SER 124 - HA SER 99 far 0 92 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 3204 from aliabs.peaks (8.49, 4.22, 62.42 ppm; 5.21 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 100 + HA SER 99 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 97 - HA SER 99 poor 20 98 20 - 6.4-7.2 Violated in 0 structures by 0.00 A. Peak 3205 from aliabs.peaks (7.86, 4.22, 62.42 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HA SER 99 OK 100 100 100 100 3.9-4.4 7443=100, 7455/3332=100...(18) Violated in 0 structures by 0.00 A. Peak 3206 from aliabs.peaks (2.08, 4.22, 62.42 ppm; 4.58 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 102 + HA SER 99 OK 100 100 100 100 3.2-5.9 3332=100, 1.8/3207=85...(10) HB VAL 118 + HA SER 99 OK 85 90 95 99 4.3-6.4 2.1/11599=77...(15) HG2 PRO 117 - HA SER 99 poor 14 57 25 - 4.9-9.0 HG3 PRO 117 - HA SER 99 far 3 57 5 - 5.7-10.6 HB3 GLN 27 - HA SER 99 far 0 87 0 - 8.0-27.6 HG3 PRO 113 - HA SER 99 far 0 73 0 - 8.4-19.5 HB VAL 126 - HA SER 99 far 0 65 0 - 9.1-13.9 Violated in 14 structures by 0.24 A. Peak 3207 from aliabs.peaks (2.23, 4.22, 62.42 ppm; 4.26 A): 1 out of 6 assignments used, quality = 0.99: * HB3 GLU 102 + HA SER 99 OK 99 100 100 99 3.4-5.4 1.8/3332=85, 3.8/7443=53...(15) HB2 GLN 101 - HA SER 99 far 0 76 0 - 6.3-7.9 HG2 GLU 97 - HA SER 99 far 0 93 0 - 6.9-9.4 HB3 GLU 97 - HA SER 99 far 0 98 0 - 7.0-8.4 HB3 GLN 104 - HA SER 99 far 0 100 0 - 7.5-11.1 HB3 LEU 96 - HA SER 99 far 0 93 0 - 7.7-9.4 Violated in 7 structures by 0.21 A. Peak 3208 from aliabs.peaks (4.05, 3.76, 63.23 ppm; 4.07 A): 3 out of 6 assignments used, quality = 0.98: HA LEU 122 + HB2 SER 99 OK 86 93 95 97 2.9-5.7 3214/1.8=29...(30) * HA LEU 96 + HB2 SER 99 OK 85 100 100 85 2.8-5.2 3214/1.8=32, 3.6/3213=19...(21) HA LYS 95 + HB2 SER 99 OK 24 60 75 53 4.3-6.8 7372/3.7=12, 3.6/3209=9...(13) HA LEU 119 - HB2 SER 99 far 3 63 5 - 2.3-8.6 HA ALA 92 - HB2 SER 99 far 0 100 0 - 7.9-9.9 HA GLU 102 - HB2 SER 99 far 0 100 0 - 7.9-9.0 Violated in 1 structures by 0.02 A. Peak 3210 from aliabs.peaks (4.22, 3.76, 63.23 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 99 + HB2 SER 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 94 - HB2 SER 99 far 0 93 0 - 7.9-10.0 HA SER 124 - HB2 SER 99 far 0 85 0 - 9.0-10.5 HA HIS 67 - HB2 SER 99 far 0 89 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 3211 from aliabs.peaks (3.76, 3.76, 63.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 99 + HB2 SER 99 OK 100 100 - 100 Peak 3212 from aliabs.peaks (4.00, 3.76, 63.23 ppm; 3.34 A): 1 out of 8 assignments used, quality = 1.00: * HB3 SER 99 + HB2 SER 99 OK 100 100 100 100 1.8-1.8 1.8=100 HA LYS 95 - HB2 SER 99 poor 20 65 30 - 4.3-6.8 HA LEU 119 - HB2 SER 99 far 3 63 5 - 2.3-8.6 HA LEU 103 - HB2 SER 99 far 0 89 0 - 6.1-9.2 HB3 SER 124 - HB2 SER 99 far 0 92 0 - 6.8-9.1 HB2 SER 124 - HB2 SER 99 far 0 99 0 - 7.5-10.0 HB3 SER 94 - HB2 SER 99 far 0 71 0 - 8.7-11.2 HB3 SER 106 - HB2 SER 99 far 0 87 0 - 9.6-15.6 Violated in 0 structures by 0.00 A. Peak 3214 from aliabs.peaks (4.05, 4.00, 63.23 ppm; 4.74 A): 2 out of 6 assignments used, quality = 0.99: HA LEU 122 + HB3 SER 99 OK 92 93 100 99 2.4-5.6 3208/1.8=41...(20) * HA LEU 96 + HB3 SER 99 OK 91 100 100 91 3.2-5.5 3208/1.8=40, 3064=23...(19) HA LYS 95 - HB3 SER 99 poor 18 60 30 - 4.4-7.1 HA LEU 119 - HB3 SER 99 far 6 63 10 - 3.5-8.4 HA GLU 102 - HB3 SER 99 far 0 100 0 - 7.9-8.7 HA ALA 92 - HB3 SER 99 far 0 100 0 - 8.1-10.4 Violated in 0 structures by 0.00 A. Peak 3215 from aliabs.peaks (8.29, 4.00, 63.23 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: * H SER 99 + HB3 SER 99 OK 100 100 100 100 2.1-3.6 3.7=100 H LEU 123 + HB3 SER 99 OK 46 73 80 78 4.6-7.5 3.6/3214=26...(14) H LEU 96 - HB3 SER 99 far 9 90 10 - 4.9-7.4 H ALA 110 - HB3 SER 99 far 0 73 0 - 5.9-18.1 H VAL 126 - HB3 SER 99 far 0 96 0 - 6.1-8.6 Violated in 0 structures by 0.00 A. Peak 3216 from aliabs.peaks (4.22, 4.00, 63.23 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 99 + HB3 SER 99 OK 100 100 100 100 2.6-3.0 3.0=100 HA SER 94 - HB3 SER 99 far 0 93 0 - 7.9-10.5 HA HIS 67 - HB3 SER 99 far 0 89 0 - 8.6-10.5 HA SER 124 - HB3 SER 99 far 0 85 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 3217 from aliabs.peaks (3.76, 4.00, 63.23 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 99 + HB3 SER 99 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLU 97 - HB3 SER 99 far 5 100 5 - 4.8-7.5 Violated in 0 structures by 0.00 A. Peak 3218 from aliabs.peaks (4.00, 4.00, 63.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 99 + HB3 SER 99 OK 100 100 - 100 Peak 3219 from aliabs.peaks (8.49, 4.00, 63.23 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB3 SER 99 OK 100 100 100 100 2.4-3.3 7395=100, ~7405=17...(19) H GLU 97 - HB3 SER 99 poor 20 98 20 - 4.5-6.9 H LEU 70 - HB3 SER 99 far 0 76 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 3220 from aliabs.peaks (8.49, 3.96, 57.71 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 100 + HA LEU 100 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 97 - HA LEU 100 far 0 98 0 - 6.9-7.5 H LEU 70 - HA LEU 100 far 0 76 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 3221 from aliabs.peaks (3.96, 3.96, 57.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 100 + HA LEU 100 OK 100 100 - 100 Peak 3222 from aliabs.peaks (1.82, 3.96, 57.71 ppm; 4.07 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 100 + HA LEU 100 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LEU 103 + HA LEU 100 OK 59 60 100 98 1.6-2.7 1.8/3370=41, 3.9/7463=37...(25) HB3 LYS 26 - HA LEU 100 far 0 99 0 - 7.7-24.1 Violated in 0 structures by 0.00 A. Peak 3223 from aliabs.peaks (1.37, 3.96, 57.71 ppm; 4.05 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LEU 100 + HA LEU 100 OK 100 100 100 100 2.2-2.5 3.0=100 QB ALA 108 - HA LEU 100 far 0 99 0 - 5.7-11.1 QB ALA 110 - HA LEU 100 far 0 98 0 - 5.8-15.3 HG LEU 96 - HA LEU 100 far 0 73 0 - 6.7-9.6 HB2 LEU 96 - HA LEU 100 far 0 99 0 - 6.8-9.3 QB ALA 109 - HA LEU 100 far 0 93 0 - 6.9-12.3 QB ALA 29 - HA LEU 100 far 0 100 0 - 8.1-14.4 QB ALA 28 - HA LEU 100 far 0 97 0 - 8.6-18.1 HG3 LYS 95 - HA LEU 100 far 0 96 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 3224 from aliabs.peaks (1.77, 3.96, 57.71 ppm; 4.71 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 100 + HA LEU 100 OK 100 100 100 100 2.7-3.8 3.7=100 HB3 LEU 122 + HA LEU 100 OK 88 89 100 99 3.5-5.9 3261/3258=24...(44) HB3 LEU 103 + HA LEU 100 OK 82 83 100 99 1.6-2.7 1.8/3370=54, 3.9/7463=49...(31) HB3 LEU 98 - HA LEU 100 far 0 97 0 - 7.3-8.7 HB2 LYS 26 - HA LEU 100 far 0 63 0 - 8.2-22.4 Violated in 0 structures by 0.00 A. Peak 3225 from aliabs.peaks (0.68, 3.96, 57.71 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 100 + HA LEU 100 OK 100 100 100 100 1.8-3.7 3258=100, 3260/3.0=58...(28) QD2 LEU 62 - HA LEU 100 far 15 100 15 - 4.1-7.8 QD1 ILE 129 - HA LEU 100 far 0 63 0 - 8.6-10.3 Violated in 3 structures by 0.03 A. Peak 3226 from aliabs.peaks (0.60, 3.96, 57.71 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HA LEU 100 OK 100 100 100 100 2.6-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3229 from aliabs.peaks (1.58, 3.96, 57.71 ppm; 4.07 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 103 + HA LEU 100 OK 98 100 100 98 2.4-4.2 3370=46, 3.9/7463=37...(28) HG LEU 103 + HA LEU 100 OK 81 87 100 93 3.2-5.2 3.0/3370=34, 5.0/7463=29...(26) HG LEU 122 + HA LEU 100 OK 47 65 75 95 3.1-6.1 2.1/11489=24...(32) HG LEU 123 - HA LEU 100 far 0 97 0 - 7.6-11.2 Violated in 0 structures by 0.00 A. Peak 3230 from aliabs.peaks (1.79, 3.96, 57.71 ppm; 4.32 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 100 OK 99 100 100 99 1.6-2.7 1.8/3370=47, 3.9/7463=42...(32) HB3 LEU 122 + HA LEU 100 OK 93 100 95 98 3.5-5.9 3.1/11489=21...(46) HG LEU 100 + HA LEU 100 OK 83 83 100 100 2.7-3.8 3.7=100 HB2 LEU 100 + HA LEU 100 OK 60 60 100 100 2.8-3.0 3.0=100 HB3 LEU 98 - HA LEU 100 far 0 97 0 - 7.3-8.7 HB3 LYS 26 - HA LEU 100 far 0 78 0 - 7.7-24.1 Violated in 0 structures by 0.00 A. Peak 3231 from aliabs.peaks (3.76, 1.82, 41.28 ppm; 4.65 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HB2 LEU 100 OK 100 100 100 100 2.1-3.8 3115=100, 10036/3.2=74...(29) HB2 SER 99 + HB2 LEU 100 OK 84 100 95 88 3.9-6.3 11477/1.8=33...(19) Violated in 0 structures by 0.00 A. Peak 3232 from aliabs.peaks (8.49, 1.82, 41.28 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.0-2.6 3.9=100 H GLU 97 + HB2 LEU 100 OK 98 98 100 99 4.4-5.4 2.8/3115=68, ~10036=30...(28) H LEU 70 - HB2 LEU 100 far 0 76 0 - 5.8-7.3 Violated in 0 structures by 0.00 A. Peak 3233 from aliabs.peaks (3.96, 1.82, 41.28 ppm; 3.88 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 SER 107 - HB2 LEU 100 far 0 100 0 - 6.4-13.4 HB2 SER 106 - HB2 LEU 100 far 0 100 0 - 8.6-12.2 HB3 SER 106 - HB2 LEU 100 far 0 92 0 - 9.2-12.4 HB2 SER 124 - HB2 LEU 100 far 0 71 0 - 9.4-11.9 HA THR 65 - HB2 LEU 100 far 0 99 0 - 9.4-10.8 HD3 PRO 117 - HB2 LEU 100 far 0 96 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 3234 from aliabs.peaks (1.82, 1.82, 41.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 100 + HB2 LEU 100 OK 100 100 - 100 Peak 3235 from aliabs.peaks (1.37, 1.82, 41.28 ppm; 3.98 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LEU 100 + HB2 LEU 100 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 96 + HB2 LEU 100 OK 39 73 60 89 3.9-7.0 11918/3.2=27...(33) HB2 LEU 96 + HB2 LEU 100 OK 28 99 30 94 4.4-6.6 ~11918=22, 4.4/3232=20...(45) QB ALA 108 - HB2 LEU 100 far 0 99 0 - 6.6-12.6 QB ALA 29 - HB2 LEU 100 far 0 100 0 - 7.1-13.3 QB ALA 109 - HB2 LEU 100 far 0 93 0 - 7.6-14.1 QB ALA 110 - HB2 LEU 100 far 0 98 0 - 7.8-17.2 HG3 LYS 95 - HB2 LEU 100 far 0 96 0 - 8.6-11.0 HG2 LYS 95 - HB2 LEU 100 far 0 92 0 - 9.2-10.9 QB ALA 28 - HB2 LEU 100 far 0 97 0 - 9.4-16.7 Violated in 0 structures by 0.00 A. Peak 3236 from aliabs.peaks (1.77, 1.82, 41.28 ppm; 4.74 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 122 + HB2 LEU 100 OK 89 89 100 100 2.3-4.3 ~10337=27, 3245/1.8=25...(56) HB3 LEU 103 + HB2 LEU 100 OK 82 83 100 99 4.4-5.5 ~3370=32, 3269/3.2=26...(34) HB3 LEU 98 - HB2 LEU 100 far 0 97 0 - 6.4-8.0 HB2 LYS 26 - HB2 LEU 100 far 0 63 0 - 8.8-21.4 HG13 ILE 129 - HB2 LEU 100 far 0 60 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3237 from aliabs.peaks (0.68, 1.82, 41.28 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 62 - HB2 LEU 100 far 10 100 10 - 5.0-7.5 QD1 ILE 129 - HB2 LEU 100 far 0 63 0 - 6.4-8.1 Violated in 0 structures by 0.00 A. Peak 3238 from aliabs.peaks (0.60, 1.82, 41.28 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HB2 LEU 100 OK 100 100 100 100 2.0-2.6 3.2=100 Violated in 0 structures by 0.00 A. Peak 3239 from aliabs.peaks (7.69, 1.82, 41.28 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HB2 LEU 100 OK 100 100 100 100 2.2-3.3 4.6=100 H LYS 95 - HB2 LEU 100 far 0 93 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 3240 from aliabs.peaks (3.76, 1.37, 41.28 ppm; 5.25 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 97 + HB3 LEU 100 OK 100 100 100 100 3.4-5.3 3115/1.8=99...(30) HB2 SER 99 + HB3 LEU 100 OK 99 100 100 99 3.9-6.2 4.5/7398=71, 11477=51...(22) Violated in 0 structures by 0.00 A. Peak 3241 from aliabs.peaks (8.49, 1.37, 41.28 ppm; 4.88 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.4-3.3 3.9=100 H GLU 97 + HB3 LEU 100 OK 83 98 85 100 5.5-7.0 ~3115=61, 3232/1.8=46...(31) H LEU 70 - HB3 LEU 100 far 8 76 10 - 6.0-7.9 Violated in 0 structures by 0.00 A. Peak 3242 from aliabs.peaks (3.96, 1.37, 41.28 ppm; 4.55 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 SER 107 - HB3 LEU 100 far 0 100 0 - 6.1-13.5 HA THR 65 - HB3 LEU 100 far 0 99 0 - 8.9-10.3 HB2 SER 106 - HB3 LEU 100 far 0 100 0 - 9.1-12.1 HD3 PRO 117 - HB3 LEU 100 far 0 96 0 - 9.4-14.7 HB2 SER 124 - HB3 LEU 100 far 0 71 0 - 9.7-10.8 HB3 SER 106 - HB3 LEU 100 far 0 92 0 - 9.8-12.6 HA GLN 127 - HB3 LEU 100 far 0 100 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 3243 from aliabs.peaks (1.82, 1.37, 41.28 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 100 + HB3 LEU 100 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 103 + HB3 LEU 100 OK 57 60 100 95 3.8-4.9 ~3370=20, 3259/3260=20...(35) HB3 LYS 26 - HB3 LEU 100 far 0 99 0 - 9.4-22.1 Violated in 0 structures by 0.00 A. Peak 3244 from aliabs.peaks (1.37, 1.37, 41.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 100 + HB3 LEU 100 OK 100 100 - 100 Peak 3245 from aliabs.peaks (1.77, 1.37, 41.28 ppm; 5.49 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 LEU 122 + HB3 LEU 100 OK 89 89 100 100 1.9-4.0 3.1/10337=45...(57) HB3 LEU 103 + HB3 LEU 100 OK 83 83 100 100 3.8-4.9 ~3370=42, ~3370=34...(38) HB3 LEU 98 - HB3 LEU 100 far 5 97 5 - 6.9-9.5 HB2 LYS 26 - HB3 LEU 100 far 0 63 0 - 9.6-21.1 Violated in 0 structures by 0.00 A. Peak 3246 from aliabs.peaks (0.68, 1.37, 41.28 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.2-3.2 3.2=100 QD2 LEU 62 + HB3 LEU 100 OK 86 100 90 96 3.8-6.6 10942=42, 10348/11421=34...(25) QD1 ILE 129 - HB3 LEU 100 far 0 63 0 - 6.8-9.1 Violated in 0 structures by 0.00 A. Peak 3247 from aliabs.peaks (0.60, 1.37, 41.28 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HB3 LEU 100 OK 100 100 100 100 2.0-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 3249 from aliabs.peaks (8.49, 1.77, 26.16 ppm; 4.44 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + HG LEU 100 OK 100 100 100 100 4.3-4.7 3257/2.1=89, 7401/2.1=79...(36) H LEU 70 + HG LEU 100 OK 40 76 75 71 4.6-7.7 11094/2.1=50, ~11108=18...(6) H GLU 97 - HG LEU 100 far 0 98 0 - 6.5-7.8 Violated in 4 structures by 0.01 A. Peak 3250 from aliabs.peaks (3.96, 1.77, 26.16 ppm; 5.08 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 100 + HG LEU 100 OK 100 100 100 100 2.7-3.8 3.7=100 HB3 SER 107 - HG LEU 100 far 5 100 5 - 4.9-12.4 HA THR 65 - HG LEU 100 far 0 99 0 - 7.0-10.0 HB3 SER 106 - HG LEU 100 far 0 92 0 - 7.3-13.2 HB2 SER 106 - HG LEU 100 far 0 100 0 - 7.7-13.2 HA GLN 127 - HG LEU 100 far 0 100 0 - 9.7-14.0 HD3 PRO 117 - HG LEU 100 far 0 96 0 - 9.9-17.0 Violated in 0 structures by 0.00 A. Peak 3251 from aliabs.peaks (1.82, 1.77, 26.16 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 100 + HG LEU 100 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 103 + HG LEU 100 OK 57 60 100 95 3.0-5.5 3267/2.1=31, 3259/2.1=30...(22) HB3 LYS 26 - HG LEU 100 far 0 99 0 - 7.7-21.8 HB ILE 32 - HG LEU 100 far 0 97 0 - 9.7-17.1 HB3 LYS 24 - HG LEU 100 far 0 99 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 3252 from aliabs.peaks (1.37, 1.77, 26.16 ppm; 4.42 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 100 + HG LEU 100 OK 100 100 100 100 2.2-2.6 3.0=100 HG LEU 96 + HG LEU 100 OK 34 73 50 92 4.6-9.4 11918/2.1=40...(31) HB2 LEU 96 - HG LEU 100 far 15 99 15 - 5.4-9.4 QB ALA 108 - HG LEU 100 far 5 99 5 - 4.5-11.7 QB ALA 109 - HG LEU 100 far 5 93 5 - 5.6-13.0 QB ALA 29 - HG LEU 100 far 0 100 0 - 5.9-12.0 QB ALA 28 - HG LEU 100 far 0 97 0 - 8.1-16.7 QB ALA 110 - HG LEU 100 far 0 98 0 - 8.6-15.8 Violated in 0 structures by 0.00 A. Peak 3253 from aliabs.peaks (1.77, 1.77, 26.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 100 + HG LEU 100 OK 100 100 - 100 Peak 3254 from aliabs.peaks (0.68, 1.77, 26.16 ppm; 3.85 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 100 + HG LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 62 + HG LEU 100 OK 64 100 75 86 3.4-7.2 10942/3.0=23, ~2010=18...(22) QD1 ILE 129 - HG LEU 100 far 0 63 0 - 6.8-10.4 Violated in 0 structures by 0.00 A. Peak 3255 from aliabs.peaks (0.60, 1.77, 26.16 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HG LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3257 from aliabs.peaks (8.49, 0.68, 23.45 ppm; 3.66 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 100 + QD2 LEU 100 OK 100 100 100 100 2.7-4.1 7400=70, 2.9/3258=68...(31) H GLU 97 - QD2 LEU 100 poor 20 98 20 - 4.0-7.5 H LEU 70 - QD2 LEU 100 far 8 76 10 - 5.0-6.7 H LEU 100 - QD2 LEU 62 far 0 83 0 - 6.0-8.7 H LEU 70 - QD2 LEU 62 far 0 56 0 - 6.7-8.0 H ASP 47 - QD2 LEU 62 far 0 41 0 - 7.6-10.3 H GLU 97 - QD2 LEU 62 far 0 79 0 - 8.5-10.7 Violated in 17 structures by 0.33 A. Peak 3258 from aliabs.peaks (3.96, 0.68, 23.45 ppm; 2.99 A): 1 out of 26 assignments used, quality = 0.98: * HA LEU 100 + QD2 LEU 100 OK 98 100 100 98 1.8-3.7 3225=66, 3.0/3260=44...(22) HB3 SER 107 - QD2 LEU 100 far 10 100 10 - 3.0-10.5 HA LEU 100 - QD2 LEU 62 far 8 83 10 - 4.1-7.8 HB2 SER 106 - QD2 LEU 100 far 0 100 0 - 5.1-9.8 HA THR 65 - QD2 LEU 62 far 0 81 0 - 5.1-6.2 HB3 SER 106 - QD2 LEU 100 far 0 92 0 - 5.6-10.1 HA THR 65 - QD2 LEU 100 far 0 99 0 - 6.0-8.9 HD3 PRO 117 - QD2 LEU 62 far 0 75 0 - 6.3-14.2 HB2 SER 51 - QD2 LEU 62 far 0 58 0 - 6.4-10.3 HB3 SER 107 - QD2 LEU 62 far 0 82 0 - 6.6-12.8 HB3 SER 51 - QD2 LEU 62 far 0 68 0 - 6.6-10.2 HB2 SER 124 - QD2 LEU 62 far 0 52 0 - 6.9-11.3 HB2 SER 106 - QD2 LEU 62 far 0 83 0 - 6.9-13.7 HA GLN 127 - QD2 LEU 62 far 0 82 0 - 7.2-9.8 HB3 SER 106 - QD2 LEU 62 far 0 71 0 - 7.2-14.0 HD3 PRO 117 - QD2 LEU 100 far 0 96 0 - 7.3-13.9 HA2 GLY 17 - QD2 LEU 62 far 0 74 0 - 7.4-31.3 HD3 PRO 113 - QD2 LEU 62 far 0 45 0 - 7.7-12.6 HD3 PRO 113 - QD2 LEU 100 far 0 63 0 - 7.9-15.9 HA3 GLY 17 - QD2 LEU 62 far 0 80 0 - 8.1-30.0 HA VAL 20 - QD2 LEU 62 far 0 50 0 - 8.4-26.5 HA3 GLY 111 - QD2 LEU 62 far 0 64 0 - 8.7-13.9 HB3 SER 94 - QD2 LEU 100 far 0 99 0 - 8.9-12.5 HA GLN 127 - QD2 LEU 100 far 0 100 0 - 9.3-11.9 HA3 GLY 111 - QD2 LEU 100 far 0 85 0 - 9.3-16.2 HB2 SER 124 - QD2 LEU 100 far 0 71 0 - 9.7-11.4 Violated in 4 structures by 0.11 A. Peak 3259 from aliabs.peaks (1.82, 0.68, 23.45 ppm; 3.23 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 100 + QD2 LEU 100 OK 100 100 100 100 2.0-3.2 3.2=100 HB3 LEU 103 + QD2 LEU 100 OK 45 60 95 78 2.4-5.6 3267/2.1=19...(18) HB3 LEU 103 - QD2 LEU 62 far 4 43 10 - 4.5-8.5 HB2 LEU 100 - QD2 LEU 62 far 0 83 0 - 5.0-7.5 HB3 LYS 26 - QD2 LEU 100 far 0 99 0 - 5.8-18.5 HB ILE 32 - QD2 LEU 100 far 0 97 0 - 7.3-14.0 HB VAL 93 - QD2 LEU 100 far 0 99 0 - 7.6-12.0 HB3 LYS 24 - QD2 LEU 100 far 0 99 0 - 8.2-21.8 HB3 ARG 23 - QD2 LEU 100 far 0 100 0 - 8.6-23.7 HB ILE 32 - QD2 LEU 62 far 0 76 0 - 8.9-14.4 HB3 LYS 26 - QD2 LEU 62 far 0 80 0 - 9.0-18.1 HB3 LYS 24 - QD2 LEU 62 far 0 79 0 - 9.5-20.7 Violated in 0 structures by 0.00 A. Peak 3260 from aliabs.peaks (1.37, 0.68, 23.45 ppm; 3.16 A): 1 out of 30 assignments used, quality = 0.99: * HB3 LEU 100 + QD2 LEU 100 OK 99 100 100 99 2.2-3.2 3.2=99 QB ALA 108 - QD2 LEU 100 far 15 99 15 - 3.8-10.2 HG LEU 96 - QD2 LEU 100 far 11 73 15 - 3.1-8.3 HB3 LEU 100 - QD2 LEU 62 far 8 83 10 - 3.8-6.6 HB2 LEU 96 - QD2 LEU 100 far 5 99 5 - 4.5-7.5 QB ALA 109 - QD2 LEU 100 far 5 93 5 - 4.1-11.2 QB ALA 29 - QD2 LEU 100 far 0 100 0 - 4.9-10.4 QB ALA 29 - QD2 LEU 62 far 0 82 0 - 5.3-11.8 QB ALA 110 - QD2 LEU 62 far 0 79 0 - 5.6-12.7 QB ALA 110 - QD2 LEU 100 far 0 98 0 - 5.6-12.0 QB ALA 108 - QD2 LEU 62 far 0 81 0 - 5.7-11.3 QB ALA 28 - QD2 LEU 100 far 0 97 0 - 5.7-13.7 HB2 LEU 96 - QD2 LEU 62 far 0 80 0 - 6.5-9.5 QB ALA 21 - QD2 LEU 62 far 0 47 0 - 6.7-23.0 QB ALA 28 - QD2 LEU 62 far 0 76 0 - 6.9-13.1 QB ALA 109 - QD2 LEU 62 far 0 72 0 - 7.1-11.3 HG LEU 96 - QD2 LEU 62 far 0 54 0 - 7.2-10.8 HG3 LYS 26 - QD2 LEU 62 far 0 79 0 - 7.3-18.1 HG3 LYS 26 - QD2 LEU 100 far 0 99 0 - 7.5-19.2 QB ALA 21 - QD2 LEU 100 far 0 65 0 - 8.1-24.3 QB ALA 12 - QD2 LEU 62 far 0 72 0 - 8.5-28.0 HG3 LYS 95 - QD2 LEU 100 far 0 96 0 - 8.5-11.4 HG2 LYS 24 - QD2 LEU 100 far 0 100 0 - 8.6-23.6 QB ALA 16 - QD2 LEU 62 far 0 66 0 - 8.8-24.4 HG2 LYS 95 - QD2 LEU 100 far 0 92 0 - 9.2-11.7 QB ALA 15 - QD2 LEU 62 far 0 79 0 - 9.4-27.3 HG2 LYS 24 - QD2 LEU 62 far 0 82 0 - 9.5-22.0 HG3 LYS 31 - QD2 LEU 62 far 0 75 0 - 9.7-18.5 HG3 LYS 31 - QD2 LEU 100 far 0 96 0 - 9.8-17.2 QB ALA 15 - QD2 LEU 100 far 0 99 0 - 9.8-28.1 Violated in 2 structures by 0.00 A. Peak 3261 from aliabs.peaks (1.77, 0.68, 23.45 ppm; 3.01 A): 3 out of 16 assignments used, quality = 1.00: * HG LEU 100 + QD2 LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 122 + QD2 LEU 100 OK 55 89 70 88 3.1-5.8 3269/2.1=12...(38) HB3 LEU 103 + QD2 LEU 100 OK 52 83 90 70 2.4-5.6 3269/2.1=16...(19) HG LEU 100 - QD2 LEU 62 poor 17 83 20 - 3.4-7.2 HB3 LEU 122 - QD2 LEU 62 far 10 68 15 - 4.0-7.0 HB3 LEU 103 - QD2 LEU 62 far 0 62 0 - 4.5-8.5 HB2 LEU 48 - QD2 LEU 62 far 0 81 0 - 4.8-10.1 HB2 LYS 26 - QD2 LEU 100 far 0 63 0 - 5.6-18.2 HB3 LEU 98 - QD2 LEU 100 far 0 97 0 - 6.2-8.9 HB2 LYS 26 - QD2 LEU 62 far 0 45 0 - 8.0-16.7 HB2 LEU 48 - QD2 LEU 100 far 0 99 0 - 8.1-15.1 HG13 ILE 129 - QD2 LEU 100 far 0 60 0 - 9.2-12.3 HB2 LYS 19 - QD2 LEU 62 far 0 41 0 - 9.2-29.9 HB2 LYS 24 - QD2 LEU 100 far 0 60 0 - 9.3-22.5 HB2 ARG 23 - QD2 LEU 100 far 0 81 0 - 9.4-24.7 HB2 LYS 24 - QD2 LEU 62 far 0 43 0 - 9.7-21.1 Violated in 0 structures by 0.00 A. Peak 3262 from aliabs.peaks (0.68, 0.68, 23.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + QD2 LEU 100 OK 100 100 - 100 QD2 LEU 62 + QD2 LEU 62 OK 83 83 - 100 Peak 3263 from aliabs.peaks (0.60, 0.68, 23.45 ppm; 2.56 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 100 + QD2 LEU 100 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 100 - QD2 LEU 62 far 8 83 10 - 3.8-6.1 Violated in 0 structures by 0.00 A. Peak 3264 from aliabs.peaks (7.69, 0.68, 23.45 ppm; 5.98 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 101 + QD2 LEU 100 OK 100 100 100 100 1.8-4.6 3.6/3258=99, 3.1/3257=98...(37) H GLN 101 - QD2 LEU 62 far 8 83 10 - 6.4-9.5 H LYS 95 - QD2 LEU 100 far 5 93 5 - 6.9-10.4 H CYS 45 - QD2 LEU 62 far 0 83 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 3265 from aliabs.peaks (8.49, 0.60, 25.59 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 100 + QD1 LEU 100 OK 100 100 100 100 3.6-4.3 7401=74, 3257/2.1=72...(39) H LEU 70 + QD1 LEU 100 OK 70 76 95 97 3.8-5.4 11094=43, 4.4/11493=36...(16) H GLU 97 - QD1 LEU 100 far 5 98 5 - 4.9-6.5 Violated in 12 structures by 0.07 A. Peak 3266 from aliabs.peaks (3.96, 0.60, 25.59 ppm; 3.84 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.6-3.9 3258/2.1=88, 4.0=86...(30) HB3 SER 107 - QD1 LEU 100 far 10 100 10 - 3.9-9.7 HA THR 65 - QD1 LEU 100 far 0 99 0 - 6.1-7.5 HB2 SER 106 - QD1 LEU 100 far 0 100 0 - 6.2-9.8 HB3 SER 106 - QD1 LEU 100 far 0 92 0 - 6.7-9.8 HA GLN 127 - QD1 LEU 100 far 0 100 0 - 8.6-11.8 HD3 PRO 113 - QD1 LEU 100 far 0 63 0 - 8.8-16.2 HB2 SER 124 - QD1 LEU 100 far 0 71 0 - 8.9-11.8 HD3 PRO 117 - QD1 LEU 100 far 0 96 0 - 9.0-14.7 Violated in 2 structures by 0.01 A. Peak 3267 from aliabs.peaks (1.82, 0.60, 25.59 ppm; 3.44 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.0-2.6 3.2=100 HB3 LEU 103 + QD1 LEU 100 OK 46 60 95 81 2.6-5.7 3259/2.1=22, 3243/3.2=16...(18) HB ILE 32 - QD1 LEU 100 far 0 97 0 - 7.0-12.4 HB3 LYS 24 - QD1 LEU 100 far 0 99 0 - 7.7-21.7 HB3 LYS 26 - QD1 LEU 100 far 0 99 0 - 8.2-16.9 HB VAL 93 - QD1 LEU 100 far 0 99 0 - 8.6-10.7 HB3 ARG 23 - QD1 LEU 100 far 0 100 0 - 9.0-23.1 Violated in 0 structures by 0.00 A. Peak 3268 from aliabs.peaks (1.37, 0.60, 25.59 ppm; 3.32 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.0-3.2 3.2=100 HG LEU 96 + QD1 LEU 100 OK 24 73 40 83 3.4-7.4 11918=20, 3235/3.2=14...(33) QB ALA 108 - QD1 LEU 100 far 15 99 15 - 3.4-9.7 QB ALA 29 - QD1 LEU 100 far 10 100 10 - 4.1-10.3 HB2 LEU 96 - QD1 LEU 100 far 5 99 5 - 4.4-7.3 QB ALA 109 - QD1 LEU 100 far 0 93 0 - 5.2-10.6 QB ALA 28 - QD1 LEU 100 far 0 97 0 - 5.9-13.2 QB ALA 110 - QD1 LEU 100 far 0 98 0 - 6.7-13.4 HG3 LYS 95 - QD1 LEU 100 far 0 96 0 - 8.1-11.6 QB ALA 15 - QD1 LEU 100 far 0 99 0 - 8.1-27.7 HG3 LYS 26 - QD1 LEU 100 far 0 99 0 - 8.5-16.8 HG2 LYS 24 - QD1 LEU 100 far 0 100 0 - 8.7-23.5 HG2 LYS 95 - QD1 LEU 100 far 0 92 0 - 8.7-11.4 QB ALA 21 - QD1 LEU 100 far 0 65 0 - 9.4-24.1 HG3 LYS 31 - QD1 LEU 100 far 0 96 0 - 9.4-16.4 HG2 LYS 36 - QD1 LEU 100 far 0 99 0 - 9.6-14.9 Violated in 0 structures by 0.00 A. Peak 3269 from aliabs.peaks (1.77, 0.60, 25.59 ppm; 3.42 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 100 + QD1 LEU 100 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 103 + QD1 LEU 100 OK 62 83 95 79 2.6-5.7 3261/2.1=21, 3245/3.2=12...(20) HB3 LEU 122 + QD1 LEU 100 OK 51 89 60 96 2.1-5.7 3.1/11388=23...(46) HB3 LEU 98 - QD1 LEU 100 far 0 97 0 - 7.3-8.7 HB2 LYS 26 - QD1 LEU 100 far 0 63 0 - 8.1-16.2 HG13 ILE 129 - QD1 LEU 100 far 0 60 0 - 8.2-11.6 HB2 LEU 48 - QD1 LEU 100 far 0 99 0 - 8.9-14.4 HB2 LYS 24 - QD1 LEU 100 far 0 60 0 - 8.9-22.3 HB2 ARG 23 - QD1 LEU 100 far 0 81 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 3270 from aliabs.peaks (0.68, 0.60, 25.59 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 100 + QD1 LEU 100 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 62 - QD1 LEU 100 far 15 100 15 - 3.8-6.1 QD1 ILE 129 - QD1 LEU 100 far 0 63 0 - 5.9-8.1 Violated in 0 structures by 0.00 A. Peak 3271 from aliabs.peaks (0.60, 0.60, 25.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + QD1 LEU 100 OK 100 100 - 100 Peak 3272 from aliabs.peaks (7.69, 0.60, 25.59 ppm; 6.23 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + QD1 LEU 100 OK 100 100 100 100 2.3-4.5 7415=100, 3264/2.1=100...(39) H LYS 95 - QD1 LEU 100 far 0 93 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 3273 from aliabs.peaks (7.69, 4.11, 58.80 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 101 + HA GLN 101 OK 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 3274 from aliabs.peaks (4.11, 4.11, 58.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLN 101 + HA GLN 101 OK 100 100 - 100 HA CYS 79 + HA CYS 79 OK 85 85 - 100 HA ILE 80 + HA ILE 80 OK 43 43 - 100 Peak 3275 from aliabs.peaks (2.21, 4.11, 58.80 ppm; 3.67 A): 5 out of 11 assignments used, quality = 1.00: * HB2 GLN 101 + HA GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 GLU 97 + HA GLN 101 OK 77 93 85 97 3.5-6.4 11237/3.5=41...(28) HB2 GLN 104 + HA GLN 101 OK 44 89 65 77 3.2-6.8 7493/3282=29, 3421=23...(11) HB2 PRO 81 + HA ILE 80 OK 37 43 90 96 4.8-5.6 3.0/2478=44...(24) HB VAL 133 + HA ILE 80 OK 29 46 85 75 4.0-5.9 2.1/11758=38...(18) HB3 GLN 104 - HA GLN 101 poor 16 87 25 73 2.7-7.4 3.9/3282=28, 1.8/3421=25...(10) HB3 GLU 102 - HA GLN 101 far 0 76 0 - 5.5-6.6 HB2 GLN 82 - HA ILE 80 far 0 56 0 - 7.0-9.2 HB2 PRO 81 - HA CYS 79 far 0 67 0 - 7.7-8.8 HB VAL 133 - HA CYS 79 far 0 71 0 - 8.3-10.1 HB2 GLN 68 - HA GLN 101 far 0 95 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3276 from aliabs.peaks (2.30, 4.11, 58.80 ppm; 3.38 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 101 + HA GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 HG2 GLU 102 - HA GLN 101 far 0 65 0 - 5.3-7.1 HB VAL 132 - HA ILE 80 far 0 40 0 - 5.8-9.3 HG3 GLU 30 - HA GLN 101 far 0 99 0 - 7.5-22.5 HG2 GLU 30 - HA GLN 101 far 0 60 0 - 9.0-23.2 HB3 GLN 134 - HA ILE 80 far 0 29 0 - 9.1-11.5 HG2 GLU 40 - HA ILE 80 far 0 51 0 - 9.8-14.4 HG3 GLN 68 - HA GLN 101 far 0 87 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 3277 from aliabs.peaks (2.43, 4.11, 58.80 ppm; 3.46 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLN 101 + HA GLN 101 OK 100 100 100 100 3.6-4.2 3.8=76, 1.8/3278=64...(16) HG3 GLU 97 - HA GLN 101 poor 17 68 25 - 4.4-8.7 HG2 MET 11 - HA CYS 79 far 0 68 0 - 5.3-45.4 HG2 GLN 82 - HA ILE 80 far 0 56 0 - 6.2-10.6 HG3 GLN 82 - HA ILE 80 far 0 54 0 - 6.9-9.7 HG3 GLN 82 - HA CYS 79 far 0 82 0 - 9.8-11.5 Violated in 20 structures by 0.47 A. Peak 3278 from aliabs.peaks (2.55, 4.11, 58.80 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HA GLN 101 OK 100 100 100 100 3.6-4.1 3.8=97, 1.8/3277=81...(21) Violated in 9 structures by 0.05 A. Peak 3283 from aliabs.peaks (2.19, 4.11, 58.80 ppm; 3.61 A): 4 out of 8 assignments used, quality = 0.98: HB2 GLN 101 + HA GLN 101 OK 89 89 100 100 2.3-2.6 3.0=100 * HB2 GLN 104 + HA GLN 101 OK 47 100 60 79 3.2-6.8 7493/3282=32, 3421=26...(11) HB2 PRO 81 + HA ILE 80 OK 42 49 90 95 4.8-5.6 3.0/2478=42...(25) HB VAL 133 + HA ILE 80 OK 33 57 80 73 4.0-5.9 2.1/11758=36, 4242/3.2=9...(18) HB2 GLN 82 - HA ILE 80 far 0 42 0 - 7.0-9.2 HB2 PRO 81 - HA CYS 79 far 0 75 0 - 7.7-8.8 HB VAL 133 - HA CYS 79 far 0 85 0 - 8.3-10.1 HB2 GLN 68 - HA GLN 101 far 0 57 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3284 from aliabs.peaks (2.22, 4.11, 58.80 ppm; 3.79 A): 4 out of 10 assignments used, quality = 0.99: HB2 GLN 101 + HA GLN 101 OK 87 87 100 100 2.3-2.6 3.0=100 HB3 GLU 97 + HA GLN 101 OK 82 100 85 97 3.5-6.4 11237/3.5=35...(30) HB2 PRO 81 + HA ILE 80 OK 31 35 90 98 4.8-5.6 3.0/2478=47...(27) * HB3 GLN 104 + HA GLN 101 OK 23 100 30 78 2.7-7.4 7494/3282=34...(10) HG2 GLU 97 - HA GLN 101 far 8 85 10 - 4.4-7.6 HB3 GLU 102 - HA GLN 101 far 0 100 0 - 5.5-6.6 HB2 GLN 82 - HA ILE 80 far 0 46 0 - 7.0-9.2 HB2 PRO 81 - HA CYS 79 far 0 57 0 - 7.7-8.8 HB3 LEU 96 - HA GLN 101 far 0 85 0 - 7.8-10.1 HB2 GLN 68 - HA GLN 101 far 0 100 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3285 from aliabs.peaks (4.11, 2.21, 27.78 ppm; 3.89 A): 2 out of 7 assignments used, quality = 1.00: HA GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 * HA LEU 98 + HB2 GLN 101 OK 100 100 100 100 3.2-5.2 3157/1.8=73...(20) HA LEU 49 - HB3 GLN 127 far 0 68 0 - 6.3-10.7 HA LEU 48 - HB3 GLN 127 far 0 66 0 - 7.8-11.7 HA GLN 104 - HB2 GLN 101 far 0 87 0 - 7.8-9.6 HA CYS 45 - HB3 GLN 127 far 0 65 0 - 8.0-11.6 HA ALA 52 - HB3 GLN 127 far 0 41 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 3286 from aliabs.peaks (7.69, 2.21, 27.78 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.2-3.6 4.0=100 H LYS 95 - HB2 GLN 101 far 0 93 0 - 8.0-10.2 H CYS 45 - HB3 GLN 127 far 0 68 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 3287 from aliabs.peaks (4.11, 2.21, 27.78 ppm; 3.89 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 98 + HB2 GLN 101 OK 100 100 100 100 3.2-5.2 3157/1.8=73...(20) HA LEU 49 - HB3 GLN 127 far 0 68 0 - 6.3-10.7 HA LEU 48 - HB3 GLN 127 far 0 66 0 - 7.8-11.7 HA GLN 104 - HB2 GLN 101 far 0 87 0 - 7.8-9.6 HA CYS 45 - HB3 GLN 127 far 0 65 0 - 8.0-11.6 HA ALA 52 - HB3 GLN 127 far 0 41 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 3288 from aliabs.peaks (2.21, 2.21, 27.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 101 + HB2 GLN 101 OK 100 100 - 100 HB3 GLN 127 + HB3 GLN 127 OK 54 54 - 100 Peak 3289 from aliabs.peaks (2.30, 2.21, 27.78 ppm; 2.83 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 101 + HB2 GLN 101 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 102 - HB2 GLN 101 far 0 65 0 - 4.5-7.7 HG3 GLU 30 - HB2 GLN 101 far 0 99 0 - 8.3-24.0 HG2 GLU 30 - HB2 GLN 101 far 0 60 0 - 9.3-24.8 Violated in 0 structures by 0.00 A. Peak 3290 from aliabs.peaks (2.43, 2.21, 27.78 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLU 97 + HB2 GLN 101 OK 39 68 60 95 4.1-6.4 3300/1.8=27, 1.8/3136=21...(28) HG3 GLU 128 - HB3 GLN 127 far 3 67 5 - 4.6-7.9 Violated in 0 structures by 0.00 A. Peak 3291 from aliabs.peaks (2.55, 2.21, 27.78 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HB2 GLN 101 OK 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 3292 from aliabs.peaks (6.79, 2.21, 27.78 ppm; 5.42 A): 2 out of 4 assignments used, quality = 1.00: * HE21 GLN 101 + HB2 GLN 101 OK 100 100 100 100 3.2-4.8 4.5=100 HE21 GLN 127 + HB3 GLN 127 OK 35 35 100 100 3.3-5.3 4.5=100 QE TYR 72 - HB3 GLN 127 far 0 63 0 - 7.1-14.7 HE21 GLN 68 - HB3 GLN 127 far 0 46 0 - 8.9-16.4 Violated in 0 structures by 0.00 A. Peak 3295 from aliabs.peaks (4.11, 2.30, 27.78 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: HA GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 * HA LEU 98 + HB3 GLN 101 OK 100 100 100 100 3.9-4.5 3157=95, 3155/7418=44...(22) HA GLN 104 - HB3 GLN 101 far 0 87 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 3296 from aliabs.peaks (7.69, 2.30, 27.78 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.2-3.6 4.0=100 H LYS 95 - HB3 GLN 101 far 0 93 0 - 8.0-10.7 Violated in 0 structures by 0.00 A. Peak 3297 from aliabs.peaks (4.11, 2.30, 27.78 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.3-2.6 3.0=100 HA LEU 98 + HB3 GLN 101 OK 100 100 100 100 3.9-4.5 3157=95, 3155/7418=44...(22) HA GLN 104 - HB3 GLN 101 far 0 87 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 3298 from aliabs.peaks (2.21, 2.30, 27.78 ppm; 2.94 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 101 + HB3 GLN 101 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 97 + HB3 GLN 101 OK 79 93 95 89 1.4-5.4 11237/4.7=18...(25) HB3 GLN 104 - HB3 GLN 101 far 0 87 0 - 5.0-9.9 HB3 GLU 102 - HB3 GLN 101 far 0 76 0 - 5.2-7.1 HB2 GLN 104 - HB3 GLN 101 far 0 89 0 - 5.6-9.2 Violated in 0 structures by 0.00 A. Peak 3299 from aliabs.peaks (2.30, 2.30, 27.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 101 + HB3 GLN 101 OK 100 100 - 100 Peak 3300 from aliabs.peaks (2.43, 2.30, 27.78 ppm; 3.52 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLU 97 + HB3 GLN 101 OK 50 68 80 91 2.8-7.9 2.9/3298=30, 3290/1.8=19...(29) Violated in 0 structures by 0.00 A. Peak 3301 from aliabs.peaks (2.55, 2.30, 27.78 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HB3 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 3305 from aliabs.peaks (7.69, 2.43, 33.53 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.5-4.0 4.7=100 H LYS 95 - HG2 GLN 101 far 0 93 0 - 7.4-10.4 Violated in 0 structures by 0.00 A. Peak 3306 from aliabs.peaks (4.11, 2.43, 33.53 ppm; 3.20 A): 2 out of 8 assignments used, quality = 1.00: * HA GLN 101 + HG2 GLN 101 OK 100 100 100 100 3.6-4.2 3277=79, 3278/1.8=54...(17) HA LEU 98 + HG2 GLN 101 OK 97 100 100 97 1.7-3.6 3157/2.9=39, 3315/1.8=34...(21) HA ILE 80 - HG2 GLN 82 far 0 84 0 - 6.2-10.6 HA ILE 80 - HG3 GLN 82 far 0 78 0 - 6.9-9.7 HA GLN 104 - HG2 GLN 101 far 0 87 0 - 8.0-10.4 HA PHE 89 - HG3 GLN 82 far 0 72 0 - 8.6-14.0 HA PHE 89 - HG2 GLN 82 far 0 78 0 - 9.0-14.2 HA CYS 79 - HG3 GLN 82 far 0 95 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 3307 from aliabs.peaks (2.21, 2.43, 33.53 ppm; 3.05 A): 5 out of 11 assignments used, quality = 1.00: * HB2 GLN 101 + HG2 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLN 82 + HG2 GLN 82 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 GLN 82 + HG3 GLN 82 OK 95 95 100 100 2.5-3.0 2.9=100 HB3 GLU 97 + HG2 GLN 101 OK 74 93 85 93 1.9-5.1 3316/1.8=24, 3298/2.9=23...(29) HB3 GLU 102 + HG2 GLN 101 OK 22 76 45 65 2.7-6.2 3.8/7450=24, 3316/1.8=14...(16) HB2 PRO 81 - HG3 GLN 82 poor 19 78 25 - 3.7-6.7 HB2 PRO 81 - HG2 GLN 82 poor 13 83 30 52 4.0-7.4 ~11248=15, 4.1/11257=12...(9) HB2 GLN 104 - HG2 GLN 101 far 0 89 0 - 5.9-10.3 HB3 GLN 104 - HG2 GLN 101 far 0 87 0 - 5.9-11.0 HB VAL 133 - HG2 GLN 82 far 0 88 0 - 6.1-13.6 HB VAL 133 - HG3 GLN 82 far 0 82 0 - 6.8-13.5 Violated in 0 structures by 0.00 A. Peak 3308 from aliabs.peaks (2.30, 2.43, 33.53 ppm; 2.86 A): 2 out of 8 assignments used, quality = 0.99: * HB3 GLN 101 + HG2 GLN 101 OK 99 100 100 99 2.2-3.0 2.9=93, 3.0/3277=36...(15) HG2 GLU 102 + HG2 GLN 101 OK 23 65 70 51 2.2-7.3 3317/1.8=16, 5.0/7450=15...(10) HB VAL 132 - HG2 GLN 82 far 0 80 0 - 5.7-12.9 HB VAL 132 - HG3 GLN 82 far 0 74 0 - 5.8-13.2 HB3 GLN 134 - HG2 GLN 82 far 0 60 0 - 8.2-17.5 HG2 GLU 30 - HG2 GLN 101 far 0 60 0 - 9.2-26.1 HB3 GLN 134 - HG3 GLN 82 far 0 55 0 - 9.2-17.9 HG3 GLU 30 - HG2 GLN 101 far 0 99 0 - 9.9-25.2 Violated in 1 structures by 0.01 A. Peak 3309 from aliabs.peaks (2.43, 2.43, 33.53 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 101 + HG2 GLN 101 OK 100 100 - 100 HG2 GLN 82 + HG2 GLN 82 OK 99 99 - 100 HG3 GLN 82 + HG3 GLN 82 OK 92 92 - 100 Peak 3310 from aliabs.peaks (2.55, 2.43, 33.53 ppm; 2.61 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HG2 GLN 101 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3313 from aliabs.peaks (7.86, 2.43, 33.53 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 102 + HG2 GLN 101 OK 100 100 100 100 1.8-3.9 7450=100, 3.1/3305=100...(26) H ALA 88 - HG2 GLN 82 far 10 99 10 - 7.6-11.2 H ALA 88 - HG3 GLN 82 far 10 95 10 - 6.8-11.1 Violated in 0 structures by 0.00 A. Peak 3314 from aliabs.peaks (7.69, 2.55, 33.53 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.6-3.1 7420=100, 3305/1.8=95...(37) H LYS 95 - HG3 GLN 101 far 0 93 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 3315 from aliabs.peaks (4.11, 2.55, 33.53 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 101 + HG3 GLN 101 OK 100 100 100 100 3.6-4.1 3278=64, 3277/1.8=64...(20) HA LEU 98 + HG3 GLN 101 OK 97 100 100 97 1.7-2.9 3157/2.9=40, 3306/1.8=35...(21) HA GLN 104 - HG3 GLN 101 far 0 87 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 3316 from aliabs.peaks (2.21, 2.55, 33.53 ppm; 3.13 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 GLU 97 + HG3 GLN 101 OK 82 93 95 93 2.6-6.4 3298/2.9=24, 3307/1.8=21...(31) HB3 GLU 102 + HG3 GLN 101 OK 48 76 85 75 2.5-6.3 3.8/7451=28, 3.0/3317=13...(29) HB3 GLN 104 - HG3 GLN 101 far 0 87 0 - 5.7-9.9 HB2 GLN 104 - HG3 GLN 101 far 0 89 0 - 6.3-9.0 Violated in 0 structures by 0.00 A. Peak 3317 from aliabs.peaks (2.30, 2.55, 33.53 ppm; 3.12 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 101 + HG3 GLN 101 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 102 + HG3 GLN 101 OK 36 65 80 69 1.9-5.6 5.0/7451=20, 3308/1.8=14...(27) Violated in 0 structures by 0.00 A. Peak 3318 from aliabs.peaks (2.43, 2.55, 33.53 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 101 + HG3 GLN 101 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 97 - HG3 GLN 101 far 3 68 5 - 3.3-8.0 Violated in 0 structures by 0.00 A. Peak 3319 from aliabs.peaks (2.55, 2.55, 33.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HG3 GLN 101 OK 100 100 - 100 Peak 3322 from aliabs.peaks (7.86, 2.55, 33.53 ppm; 5.75 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HG3 GLN 101 OK 100 100 100 100 1.6-3.5 7451=100, 7450/1.8=100...(30) Violated in 0 structures by 0.00 A. Peak 3324 from aliabs.peaks (4.05, 4.05, 58.39 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 102 + HA GLU 102 OK 100 100 - 100 HA LEU 122 + HA LEU 122 OK 87 87 - 100 HA LEU 96 + HA LEU 96 OK 80 80 - 100 Peak 3325 from aliabs.peaks (2.08, 4.05, 58.39 ppm; 4.08 A): 3 out of 22 assignments used, quality = 1.00: * HB2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 126 + HA LEU 122 OK 27 54 55 91 3.8-7.1 ~11678=25, 3917/4.9=23...(21) HB VAL 126 + HA LEU 96 OK 27 46 65 89 3.5-8.5 2.1/11689=50...(21) HB VAL 118 - HA LEU 122 far 0 78 0 - 6.3-8.2 HB VAL 118 - HA LEU 96 far 0 68 0 - 6.6-9.3 HB3 GLN 27 - HA GLU 102 far 0 87 0 - 7.0-28.0 HB2 GLU 128 - HA LEU 96 far 0 82 0 - 7.0-11.2 HB2 GLU 128 - HA LEU 122 far 0 91 0 - 7.5-10.1 HB2 GLU 102 - HA LEU 96 far 0 82 0 - 7.9-11.8 HB VAL 118 - HA GLU 102 far 0 90 0 - 8.3-10.3 HB3 GLN 27 - HA LEU 96 far 0 65 0 - 8.5-24.2 HG2 PRO 117 - HA LEU 122 far 0 47 0 - 8.5-11.3 HG2 PRO 117 - HA GLU 102 far 0 57 0 - 8.5-14.8 HG2 PRO 117 - HA LEU 96 far 0 40 0 - 8.6-14.3 HG3 PRO 117 - HA LEU 122 far 0 47 0 - 8.8-11.7 HG3 GLU 91 - HA LEU 96 far 0 76 0 - 8.8-12.2 HB2 GLU 102 - HA LEU 122 far 0 91 0 - 8.9-11.8 HG3 GLU 91 - HA LEU 122 far 0 86 0 - 9.0-14.5 HB2 LEU 62 - HA LEU 122 far 0 61 0 - 9.1-13.0 HG3 PRO 117 - HA LEU 96 far 0 40 0 - 9.3-13.4 HG3 PRO 117 - HA GLU 102 far 0 57 0 - 9.4-16.4 HB3 GLN 27 - HA LEU 122 far 0 74 0 - 10.0-24.1 Violated in 0 structures by 0.00 A. Peak 3326 from aliabs.peaks (2.23, 4.05, 58.39 ppm; 3.74 A): 4 out of 24 assignments used, quality = 1.00: * HB3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 96 + HA LEU 96 OK 71 71 100 100 2.3-2.8 3.0=100 HB3 LEU 96 + HA LEU 122 OK 63 81 85 91 2.8-5.7 1.8/3067=14, 3.0/3084=10...(52) HB2 GLN 101 + HA GLU 102 OK 59 76 80 97 4.5-5.6 ~7449=37, ~3304=33...(36) HG2 GLU 97 - HA LEU 96 far 4 71 5 - 5.1-6.7 HB3 GLN 104 - HA GLU 102 far 0 100 0 - 5.7-7.8 HB3 GLU 97 - HA LEU 96 far 0 77 0 - 6.3-6.6 HB3 GLU 97 - HA GLU 102 far 0 98 0 - 6.6-9.6 HB2 GLN 101 - HA LEU 96 far 0 55 0 - 6.7-9.5 HG2 GLU 97 - HA LEU 122 far 0 81 0 - 6.8-9.0 HB3 GLU 128 - HA LEU 96 far 0 81 0 - 7.2-9.6 HB3 GLU 97 - HA LEU 122 far 0 87 0 - 7.4-8.8 HB3 GLN 127 - HA LEU 122 far 0 89 0 - 7.5-9.9 HB2 GLN 101 - HA LEU 122 far 0 64 0 - 7.6-10.3 HB3 GLN 104 - HA LEU 122 far 0 90 0 - 7.6-14.1 HB3 GLU 128 - HA LEU 122 far 0 91 0 - 7.7-9.5 HB3 GLN 104 - HA LEU 96 far 0 80 0 - 7.9-14.4 HG2 GLU 91 - HA LEU 96 far 0 65 0 - 8.0-11.7 HG2 GLU 91 - HA LEU 122 far 0 74 0 - 8.0-14.2 HG2 GLU 97 - HA GLU 102 far 0 93 0 - 8.1-10.0 HB3 GLN 127 - HA LEU 96 far 0 80 0 - 8.2-11.8 HB3 GLU 102 - HA LEU 122 far 0 91 0 - 8.8-12.2 HB3 GLU 102 - HA LEU 96 far 0 82 0 - 9.0-11.5 HG2 GLN 68 - HA LEU 122 far 0 82 0 - 9.1-16.2 Violated in 0 structures by 0.00 A. Peak 3327 from aliabs.peaks (2.33, 4.05, 58.39 ppm; 3.86 A): 1 out of 17 assignments used, quality = 1.00: * HG2 GLU 102 + HA GLU 102 OK 100 100 100 100 2.1-3.5 3.7=100 HB3 GLN 101 - HA GLU 102 poor 13 65 20 - 4.7-5.6 HG2 GLN 27 - HA GLU 102 far 5 90 5 - 5.1-28.8 HG3 GLN 27 - HA GLU 102 far 4 87 5 - 4.4-27.1 HG2 GLN 127 - HA LEU 122 far 0 79 0 - 6.4-7.7 HG2 GLU 128 - HA LEU 96 far 0 73 0 - 6.4-11.6 HB3 GLN 101 - HA LEU 96 far 0 46 0 - 6.7-9.4 HG2 GLN 127 - HA LEU 96 far 0 70 0 - 7.1-9.7 HG2 GLU 128 - HA LEU 122 far 0 82 0 - 7.5-11.1 HG2 GLN 27 - HA LEU 96 far 0 68 0 - 7.8-25.0 HB3 GLN 101 - HA LEU 122 far 0 54 0 - 7.8-10.6 HG2 GLU 102 - HA LEU 96 far 0 82 0 - 8.6-12.0 HB2 PRO 117 - HA LEU 96 far 0 40 0 - 8.6-14.3 HG2 GLN 27 - HA LEU 122 far 0 78 0 - 9.0-25.1 HG2 GLU 102 - HA LEU 122 far 0 91 0 - 9.1-11.9 HB2 PRO 117 - HA LEU 122 far 0 47 0 - 9.2-11.2 HG3 GLN 27 - HA LEU 96 far 0 65 0 - 9.6-23.5 Violated in 0 structures by 0.00 A. Peak 3328 from aliabs.peaks (2.51, 4.05, 58.39 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 102 + HA GLU 102 OK 100 100 100 100 2.1-3.8 3.7=100 HG3 GLN 127 - HA LEU 122 far 0 52 0 - 6.8-9.3 HG3 GLN 127 - HA LEU 96 far 0 44 0 - 7.4-11.1 HG3 GLU 102 - HA LEU 96 far 0 82 0 - 8.6-12.0 HG3 GLU 102 - HA LEU 122 far 0 91 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 3331 from aliabs.peaks (2.27, 4.05, 58.39 ppm; 4.33 A): 3 out of 7 assignments used, quality = 0.94: * HB VAL 105 + HA GLU 102 OK 65 100 65 100 4.1-7.5 3465=100, 2.1/11508=90...(13) HB3 LEU 96 + HA LEU 122 OK 61 64 100 96 2.8-5.7 1.8/3067=20, ~3855=14...(51) HB3 LEU 96 + HA LEU 96 OK 55 55 100 100 2.3-2.8 3.0=100 HG2 GLU 97 - HA LEU 96 poor 14 55 25 - 5.1-6.7 HG2 GLU 97 - HA LEU 122 far 0 64 0 - 6.8-9.0 HG2 GLU 97 - HA GLU 102 far 0 76 0 - 8.1-10.0 HB3 PRO 113 - HA GLU 102 far 0 99 0 - 9.4-20.1 Violated in 0 structures by 0.00 A. Peak 3332 from aliabs.peaks (4.22, 2.08, 28.62 ppm; 3.92 A): 1 out of 20 assignments used, quality = 0.58: * HA SER 99 + HB2 GLU 102 OK 58 100 60 96 3.2-5.9 3207/1.8=66...(10) HA ARG 84 - HB3 GLN 82 poor 17 43 40 - 4.7-6.8 HA ALA 28 - HB2 GLN 61 far 8 53 15 - 4.5-23.5 HA ALA 29 - HB2 GLN 61 far 7 72 10 - 3.8-22.1 HA GLU 30 - HB2 GLN 61 far 7 68 10 - 3.5-22.8 HA ALA 29 - HB3 GLU 44 far 7 66 10 - 3.2-20.8 HA ALA 29 - HB3 GLN 61 far 6 60 10 - 5.2-22.4 HA GLU 30 - HB3 GLN 61 far 6 57 10 - 2.8-23.4 HA ALA 28 - HB3 GLU 44 far 5 48 10 - 3.2-23.1 HA SER 124 - HB2 GLU 128 far 4 84 5 - 4.4-7.2 HA ALA 28 - HB3 GLN 61 far 2 43 5 - 4.7-23.8 HA GLN 27 - HB3 GLU 44 far 2 43 5 - 3.4-23.5 HA ALA 88 - HB2 GLU 128 far 0 84 0 - 6.0-9.7 HA GLN 27 - HB2 GLN 61 far 0 48 0 - 7.3-21.9 HA GLU 30 - HB3 GLU 44 far 0 62 0 - 7.3-22.5 HA GLN 27 - HB2 GLU 102 far 0 76 0 - 7.7-29.8 HA GLN 27 - HB3 GLN 61 far 0 39 0 - 7.7-21.9 HB3 SER 38 - HB3 GLU 44 far 0 62 0 - 8.0-11.6 HA ALA 34 - HB3 GLU 44 far 0 61 0 - 9.5-13.6 HA HIS 67 - HB2 GLU 102 far 0 89 0 - 9.7-12.9 Violated in 16 structures by 1.17 A. Peak 3333 from aliabs.peaks (7.86, 2.08, 28.62 ppm; 5.13 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.7 3.8=100 H GLU 128 + HB2 GLU 128 OK 80 80 100 100 2.1-3.5 3.6=100 H ALA 88 - HB3 GLN 82 far 0 64 0 - 7.5-10.2 H ALA 88 - HB2 GLU 128 far 0 100 0 - 7.7-11.5 H GLN 68 - HB2 GLN 61 far 0 71 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3334 from aliabs.peaks (4.05, 2.08, 28.62 ppm; 3.99 A): 2 out of 17 assignments used, quality = 1.00: * HA GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 44 + HB3 GLU 44 OK 64 64 100 100 2.2-2.9 3.0=100 HA ALA 92 - HB2 GLU 128 poor 20 99 20 - 4.1-6.9 HB THR 65 - HB2 GLN 61 poor 14 60 40 59 3.9-6.8 ~11024=32, ~10985=22...(5) HB THR 65 - HB3 GLN 61 far 5 49 10 - 4.9-8.3 HA ILE 37 - HB3 GLU 44 far 0 34 0 - 5.7-10.6 HD3 PRO 81 - HB3 GLN 82 far 0 57 0 - 6.2-8.3 HA LEU 96 - HB2 GLU 128 far 0 99 0 - 7.0-11.2 HA LEU 122 - HB2 GLU 128 far 0 98 0 - 7.5-10.1 HA LEU 96 - HB2 GLU 102 far 0 100 0 - 7.9-11.8 HA LYS 95 - HB2 GLU 102 far 0 73 0 - 8.2-10.7 HA LEU 119 - HB2 GLN 61 far 0 48 0 - 8.5-16.6 HA LYS 95 - HB2 GLU 128 far 0 73 0 - 8.6-12.0 HA LEU 119 - HB3 GLN 61 far 0 39 0 - 8.8-16.0 HA LEU 122 - HB2 GLU 102 far 0 98 0 - 8.9-11.8 HA LEU 119 - HB2 GLU 102 far 0 76 0 - 9.3-13.7 HB THR 65 - HB3 GLU 44 far 0 54 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 3335 from aliabs.peaks (2.08, 2.08, 28.62 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 GLU 102 + HB2 GLU 102 OK 100 100 - 100 HB2 GLU 128 + HB2 GLU 128 OK 100 100 - 100 HB3 GLU 44 + HB3 GLU 44 OK 62 62 - 100 HB3 GLN 82 + HB3 GLN 82 OK 61 61 - 100 HB2 GLN 61 + HB2 GLN 61 OK 60 60 - 100 HB3 GLN 61 + HB3 GLN 61 OK 45 45 - 100 Peak 3336 from aliabs.peaks (2.23, 2.08, 28.62 ppm; 2.76 A): 3 out of 17 assignments used, quality = 1.00: * HB3 GLU 102 + HB2 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 128 + HB2 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 82 + HB3 GLN 82 OK 45 45 100 100 1.8-1.8 1.8=100 HB3 GLN 127 - HB2 GLU 128 far 5 99 5 - 4.2-7.4 HB2 PRO 81 - HB3 GLN 82 far 2 38 5 - 3.5-6.9 HB2 GLN 101 - HB2 GLU 102 far 0 76 0 - 5.1-7.0 HG2 GLU 91 - HB2 GLU 128 far 0 86 0 - 6.3-11.3 HB3 GLN 104 - HB2 GLU 102 far 0 100 0 - 6.4-9.5 HB3 LEU 96 - HB2 GLU 128 far 0 93 0 - 6.4-10.9 HB3 GLU 97 - HB2 GLU 102 far 0 98 0 - 6.8-9.0 HG2 GLN 68 - HB3 GLU 44 far 0 58 0 - 8.1-14.1 HG2 GLU 97 - HB2 GLU 102 far 0 93 0 - 8.2-11.4 HB2 GLN 68 - HB2 GLN 61 far 0 67 0 - 8.8-11.1 HB2 GLN 68 - HB3 GLU 44 far 0 61 0 - 9.0-13.3 HG2 GLN 68 - HB2 GLN 61 far 0 64 0 - 9.3-11.9 HB3 LEU 96 - HB2 GLU 102 far 0 93 0 - 9.6-13.3 HB2 GLN 68 - HB3 GLN 61 far 0 56 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3337 from aliabs.peaks (2.33, 2.08, 28.62 ppm; 3.81 A): 3 out of 22 assignments used, quality = 1.00: * HG2 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB2 GLU 128 OK 94 94 100 100 2.4-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 44 OK 59 59 100 100 2.4-3.0 3.0=100 HG2 GLN 27 - HB3 GLU 44 far 5 54 10 - 4.7-24.4 HG3 GLU 30 - HB3 GLN 61 far 4 43 10 - 3.8-25.5 HG3 GLU 30 - HB2 GLN 61 far 3 53 5 - 4.2-25.0 HG3 GLN 27 - HB3 GLU 44 far 3 51 5 - 4.6-24.3 HB3 GLN 101 - HB2 GLU 102 far 0 65 0 - 5.5-7.1 HG2 GLN 127 - HB2 GLU 128 far 0 91 0 - 6.0-7.8 HG3 GLU 30 - HB3 GLU 44 far 0 48 0 - 6.5-24.0 HG2 GLN 27 - HB2 GLU 102 far 0 90 0 - 6.6-30.3 HG3 GLN 27 - HB2 GLU 102 far 0 87 0 - 6.7-28.8 HG3 GLN 27 - HB3 GLN 61 far 0 46 0 - 6.9-24.1 HG3 GLN 27 - HB2 GLN 61 far 0 56 0 - 7.2-23.5 HG3 GLN 68 - HB3 GLU 44 far 0 62 0 - 7.3-13.0 HB2 PRO 117 - HB2 GLU 102 far 0 57 0 - 7.9-15.4 HG2 GLN 27 - HB3 GLN 61 far 0 49 0 - 8.2-24.6 HG3 GLN 68 - HB2 GLN 61 far 0 68 0 - 8.4-12.6 HG2 GLN 27 - HB2 GLN 61 far 0 60 0 - 8.5-23.9 HB3 GLN 134 - HB3 GLU 44 far 0 66 0 - 8.6-12.2 HG3 GLN 68 - HB3 GLN 61 far 0 57 0 - 9.0-13.5 HB3 GLN 134 - HB3 GLN 82 far 0 64 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 3338 from aliabs.peaks (2.51, 2.08, 28.62 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 102 + HB2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 44 + HB3 GLU 44 OK 43 43 100 100 2.2-3.0 3.0=100 HG3 GLN 127 - HB2 GLU 128 far 9 62 15 - 4.7-8.2 HG3 MET 11 - HB3 GLN 61 far 0 60 0 - 9.2-43.2 Violated in 0 structures by 0.00 A. Peak 3339 from aliabs.peaks (8.08, 2.08, 28.62 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 103 + HB2 GLU 102 OK 100 100 100 100 2.8-4.3 4.6=100 Violated in 0 structures by 0.00 A. Peak 3340 from aliabs.peaks (4.22, 2.23, 28.62 ppm; 4.25 A): 4 out of 20 assignments used, quality = 1.00: * HA SER 99 + HB3 GLU 102 OK 100 100 100 100 3.4-5.4 3207=99, 3332/1.8=85...(14) HA SER 124 + HB3 GLU 128 OK 67 83 95 85 4.1-7.2 7838/3.6=31, 2937=29...(10) HA SER 94 + HB3 GLU 97 OK 66 83 80 98 4.5-6.3 3117/1.8=74...(12) HA HIS 67 + HB2 GLN 68 OK 34 42 90 90 5.5-5.9 6916/4.4=42, 11036=31...(14) HA ALA 29 - HB2 GLN 68 poor 13 53 25 - 4.0-14.1 HA GLU 30 - HB2 GLN 68 poor 12 50 25 - 3.4-13.9 HA ALA 34 - HB2 GLN 68 far 7 49 15 - 4.5-13.5 HA GLN 27 - HB3 GLU 97 far 3 66 5 - 4.8-25.9 HA ALA 28 - HB3 GLU 97 far 0 72 0 - 6.1-24.7 HA HIS 67 - HB3 GLU 97 far 0 78 0 - 6.4-8.8 HA ALA 29 - HB3 GLU 97 far 0 93 0 - 6.5-20.6 HA ALA 88 - HB3 GLU 128 far 0 83 0 - 6.8-10.9 HA SER 99 - HB3 GLU 97 far 0 93 0 - 7.0-8.4 HA GLN 27 - HB2 GLN 68 far 0 34 0 - 7.1-15.9 HA ALA 28 - HB2 GLN 68 far 0 38 0 - 7.3-16.1 HA GLN 27 - HB3 GLU 102 far 0 76 0 - 7.5-28.9 HA GLU 30 - HB3 GLU 97 far 0 89 0 - 7.6-21.3 HB3 SER 38 - HB2 GLN 68 far 0 50 0 - 8.1-15.7 HA HIS 67 - HB3 GLU 102 far 0 89 0 - 9.7-12.2 HA SER 94 - HB3 GLU 102 far 0 93 0 - 9.9-13.1 Violated in 1 structures by 0.01 A. Peak 3341 from aliabs.peaks (7.86, 2.23, 28.62 ppm; 4.94 A): 4 out of 6 assignments used, quality = 1.00: * H GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.2-3.6 3.8=100 H GLU 102 + HB3 GLU 97 OK 85 93 95 96 4.6-7.6 3.1/7417=33...(19) H GLU 128 + HB3 GLU 128 OK 79 79 100 100 2.1-3.5 3.6=100 H GLN 68 + HB2 GLN 68 OK 52 52 100 100 2.1-2.6 3.7=100 H ALA 88 - HB3 GLU 128 far 0 100 0 - 8.7-12.3 H GLN 68 - HB3 GLU 97 far 0 92 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3342 from aliabs.peaks (4.05, 2.23, 28.62 ppm; 3.67 A): 1 out of 18 assignments used, quality = 1.00: * HA GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 92 - HB3 GLU 128 far 15 99 15 - 4.1-7.6 HB2 SER 74 - HB3 GLU 97 far 5 91 5 - 4.6-8.2 HB3 SER 74 - HB3 GLU 97 far 4 87 5 - 5.1-8.2 HB THR 65 - HB2 GLN 68 far 2 43 5 - 5.0-6.8 HA ILE 37 - HB2 GLN 68 far 0 27 0 - 5.4-12.1 HA LYS 95 - HB3 GLU 97 far 0 63 0 - 5.6-6.8 HA LEU 96 - HB3 GLU 97 far 0 92 0 - 6.3-6.6 HA GLU 102 - HB3 GLU 97 far 0 93 0 - 6.6-9.6 HA LEU 96 - HB3 GLU 128 far 0 99 0 - 7.2-9.6 HA LEU 122 - HB3 GLU 97 far 0 89 0 - 7.4-8.8 HA LEU 122 - HB3 GLU 128 far 0 97 0 - 7.7-9.5 HA LEU 119 - HB3 GLU 102 far 0 76 0 - 7.7-12.7 HA LYS 95 - HB3 GLU 102 far 0 73 0 - 7.9-10.8 HA LEU 122 - HB3 GLU 102 far 0 98 0 - 8.8-12.2 HA LEU 96 - HB3 GLU 102 far 0 100 0 - 9.0-11.5 HA LYS 95 - HB3 GLU 128 far 0 72 0 - 9.3-11.6 HA ALA 92 - HB3 GLU 97 far 0 92 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 3343 from aliabs.peaks (2.08, 2.23, 28.62 ppm; 2.96 A): 2 out of 18 assignments used, quality = 1.00: * HB2 GLU 102 + HB3 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB3 GLU 97 far 4 76 5 - 2.8-27.1 HG2 PRO 117 - HB3 GLU 102 far 0 57 0 - 6.0-11.8 HG3 GLU 91 - HB3 GLU 128 far 0 96 0 - 6.1-11.0 HB3 GLN 27 - HB3 GLU 102 far 0 87 0 - 6.5-28.8 HG3 PRO 117 - HB3 GLU 102 far 0 57 0 - 6.7-13.4 HB VAL 126 - HB3 GLU 128 far 0 64 0 - 6.8-8.8 HB2 GLU 102 - HB3 GLU 97 far 0 93 0 - 6.8-9.0 HB VAL 118 - HB3 GLU 102 far 0 90 0 - 6.9-9.0 HB VAL 126 - HB3 GLU 97 far 0 56 0 - 7.6-12.4 HB3 GLN 27 - HB2 GLN 68 far 0 41 0 - 7.7-15.5 HB VAL 126 - HB2 GLN 68 far 0 28 0 - 7.7-10.9 HB2 GLN 61 - HB2 GLN 68 far 0 43 0 - 8.8-11.1 HB3 GLU 44 - HB2 GLN 68 far 0 50 0 - 9.0-13.3 HG3 GLN 134 - HB3 GLU 128 far 0 99 0 - 9.1-11.2 HB3 GLN 61 - HB2 GLN 68 far 0 39 0 - 9.6-11.6 HG3 PRO 113 - HB3 GLU 102 far 0 73 0 - 9.7-20.1 Violated in 0 structures by 0.00 A. Peak 3344 from aliabs.peaks (2.23, 2.23, 28.62 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 102 + HB3 GLU 102 OK 100 100 - 100 HB3 GLU 128 + HB3 GLU 128 OK 99 99 - 100 HB3 GLU 97 + HB3 GLU 97 OK 89 89 - 100 HB2 GLN 68 + HB2 GLN 68 OK 49 49 - 100 Peak 3345 from aliabs.peaks (2.33, 2.23, 28.62 ppm; 4.74 A): 6 out of 18 assignments used, quality = 1.00: * HG2 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB3 GLU 128 OK 93 93 100 100 2.3-3.0 3.0=100 HB3 GLN 101 + HB3 GLU 97 OK 56 56 100 99 1.4-5.4 3.0/3284=32, 4.0/7417=27...(23) HG3 GLN 68 + HB2 GLN 68 OK 50 50 100 100 2.2-3.0 3.0=100 HG2 GLN 127 + HB3 GLU 128 OK 49 91 60 91 4.5-7.6 7846/3.6=34, 3.0/4043=32...(15) HB3 GLN 101 + HB3 GLU 102 OK 47 65 75 95 5.2-7.1 7449/3.8=47, ~3358=17...(31) HG2 GLU 102 - HB3 GLU 97 poor 13 93 30 46 4.9-10.0 5.0/11237=20...(7) HG2 GLN 27 - HB3 GLU 97 far 8 80 10 - 4.0-28.4 HG2 GLN 27 - HB3 GLU 102 far 5 90 5 - 5.6-29.6 HG3 GLN 27 - HB3 GLU 102 far 4 87 5 - 6.2-28.0 HG3 GLN 27 - HB3 GLU 97 far 4 76 5 - 5.2-27.0 HG3 GLU 30 - HB2 GLN 68 far 2 38 5 - 5.2-16.8 HB2 PRO 117 - HB3 GLU 102 far 0 57 0 - 8.0-14.0 HG2 GLU 44 - HB2 GLN 68 far 0 47 0 - 8.5-14.9 HG3 GLU 30 - HB3 GLU 97 far 0 72 0 - 8.7-23.5 HG3 GLN 27 - HB2 GLN 68 far 0 41 0 - 8.8-17.0 HG2 GLN 27 - HB2 GLN 68 far 0 43 0 - 9.3-16.1 HB VAL 77 - HB3 GLU 97 far 0 86 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 3346 from aliabs.peaks (2.51, 2.23, 28.62 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 102 + HB3 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 127 - HB3 GLU 128 poor 12 61 20 - 3.2-8.3 HG3 GLU 102 - HB3 GLU 97 far 5 93 5 - 5.0-9.7 HG3 GLU 44 - HB2 GLN 68 far 0 34 0 - 7.9-15.2 Violated in 0 structures by 0.00 A. Peak 3347 from aliabs.peaks (8.08, 2.23, 28.62 ppm; 5.30 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 103 + HB3 GLU 102 OK 100 100 100 100 3.1-4.2 4.6=100 H LEU 103 + HB3 GLU 97 OK 44 93 65 72 6.5-9.4 3.0/11237=34...(11) Violated in 0 structures by 0.00 A. Peak 3348 from aliabs.peaks (7.86, 2.33, 34.64 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.4-4.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 3349 from aliabs.peaks (4.05, 2.33, 34.64 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 102 + HG2 GLU 102 OK 99 100 100 99 2.1-3.5 3.7=87, 2.9/7457=52...(10) HA GLU 44 + HG2 GLU 44 OK 84 84 100 100 2.0-3.7 3.7=90, 1425/1.8=69...(13) HA ILE 37 - HG2 GLU 44 far 0 48 0 - 6.7-12.1 HA LYS 95 - HG2 GLU 102 far 0 73 0 - 7.3-11.0 HB THR 65 - HG2 GLU 44 far 0 73 0 - 7.7-14.8 HA LEU 96 - HG2 GLU 102 far 0 100 0 - 8.6-12.0 HA LEU 119 - HG2 GLU 102 far 0 76 0 - 9.0-14.7 HA LEU 122 - HG2 GLU 102 far 0 98 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. Peak 3350 from aliabs.peaks (2.08, 2.33, 34.64 ppm; 3.39 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 44 + HG2 GLU 44 OK 83 83 100 100 2.4-3.0 3.0=100 HB3 GLN 27 - HG2 GLU 44 far 7 70 10 - 3.9-27.4 HB3 GLN 27 - HG2 GLU 102 far 4 87 5 - 4.3-30.3 HB VAL 118 - HG2 GLU 102 far 0 90 0 - 6.2-11.0 HG2 PRO 117 - HG2 GLU 102 far 0 57 0 - 7.5-12.7 HG3 PRO 117 - HG2 GLU 102 far 0 57 0 - 8.0-14.2 HG3 GLN 134 - HG2 GLU 44 far 0 86 0 - 8.6-13.6 HB3 LYS 39 - HG2 GLU 44 far 0 86 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 3351 from aliabs.peaks (2.23, 2.33, 34.64 ppm; 4.74 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLU 102 + HG2 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 + HG2 GLU 102 OK 61 76 85 95 4.5-7.7 4.7/7457=58, 3358/1.8=28...(30) HB3 GLU 97 - HG2 GLU 102 poor 15 98 30 52 4.9-10.0 11237/5.0=32...(7) HG2 GLU 97 - HG2 GLU 102 far 9 93 10 - 5.4-11.1 HB3 GLN 104 - HG2 GLU 102 far 0 100 0 - 7.3-10.6 HG2 GLN 68 - HG2 GLU 44 far 0 78 0 - 8.0-15.3 HB2 GLN 68 - HG2 GLU 44 far 0 82 0 - 8.5-14.9 HB3 LEU 96 - HG2 GLU 102 far 0 93 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 3352 from aliabs.peaks (2.33, 2.33, 34.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 102 + HG2 GLU 102 OK 100 100 - 100 HG2 GLU 44 + HG2 GLU 44 OK 79 79 - 100 Peak 3353 from aliabs.peaks (2.51, 2.33, 34.64 ppm; 2.69 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 102 + HG2 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 44 + HG2 GLU 44 OK 59 59 100 100 1.8-1.8 1.8=100 HG3 GLN 127 - HG2 GLU 44 far 0 48 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 3356 from aliabs.peaks (4.05, 2.51, 34.64 ppm; 3.98 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.1-3.8 3.7=100 HA LYS 95 - HG3 GLU 102 far 0 73 0 - 7.6-10.7 HA LEU 96 - HG3 GLU 102 far 0 100 0 - 8.6-12.0 HA LEU 122 - HG3 GLU 102 far 0 98 0 - 8.6-12.4 HA LEU 119 - HG3 GLU 102 far 0 76 0 - 9.3-14.7 Violated in 0 structures by 0.00 A. Peak 3357 from aliabs.peaks (2.08, 2.51, 34.64 ppm; 3.98 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.2-3.0 3.0=100 HB VAL 118 - HG3 GLU 102 far 5 90 5 - 5.2-11.1 HB3 GLN 27 - HG3 GLU 102 far 4 87 5 - 5.0-29.7 HG2 PRO 117 - HG3 GLU 102 far 0 57 0 - 6.4-14.1 HG3 PRO 117 - HG3 GLU 102 far 0 57 0 - 7.8-15.7 Violated in 0 structures by 0.00 A. Peak 3358 from aliabs.peaks (2.23, 2.51, 34.64 ppm; 3.87 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 102 + HG3 GLU 102 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 101 + HG3 GLU 102 OK 42 76 65 86 4.4-7.1 4.7/7458=39, 3351/1.8=18...(30) HB3 GLU 97 - HG3 GLU 102 far 5 98 5 - 5.0-9.7 HG2 GLU 97 - HG3 GLU 102 far 0 93 0 - 6.0-10.6 HB3 GLN 104 - HG3 GLU 102 far 0 100 0 - 6.5-10.5 HB3 LEU 96 - HG3 GLU 102 far 0 93 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 3359 from aliabs.peaks (2.33, 2.51, 34.64 ppm; 2.80 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 102 + HG3 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 101 - HG3 GLU 102 far 0 65 0 - 4.7-6.8 HG2 GLN 27 - HG3 GLU 102 far 0 90 0 - 5.0-30.4 HG3 GLN 27 - HG3 GLU 102 far 0 87 0 - 5.0-28.9 HB2 PRO 117 - HG3 GLU 102 far 0 57 0 - 9.4-16.5 Violated in 0 structures by 0.00 A. Peak 3360 from aliabs.peaks (2.51, 2.51, 34.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 102 + HG3 GLU 102 OK 100 100 - 100 Peak 3363 from aliabs.peaks (4.01, 4.01, 57.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + HA LEU 103 OK 100 100 - 100 Peak 3364 from aliabs.peaks (1.58, 4.01, 57.03 ppm; 4.26 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.2-2.4 3.0=100 HG LEU 103 + HA LEU 103 OK 87 87 100 100 2.8-4.0 4.3=100 HG LEU 122 - HA LEU 103 far 0 65 0 - 6.7-10.9 Violated in 0 structures by 0.00 A. Peak 3365 from aliabs.peaks (1.79, 4.01, 57.03 ppm; 3.95 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 103 OK 100 100 100 100 2.9-3.0 3.0=100 HG LEU 100 - HA LEU 103 far 0 83 0 - 5.9-8.2 HB3 LYS 26 - HA LEU 103 far 0 78 0 - 6.1-28.0 HB2 LEU 100 - HA LEU 103 far 0 60 0 - 7.0-8.0 HB3 LEU 122 - HA LEU 103 far 0 100 0 - 7.2-11.1 HB3 LEU 98 - HA LEU 103 far 0 97 0 - 7.8-11.4 HB3 ARG 23 - HA LEU 103 far 0 71 0 - 9.4-34.3 Violated in 0 structures by 0.00 A. Peak 3366 from aliabs.peaks (1.56, 4.01, 57.03 ppm; 4.19 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 103 + HA LEU 103 OK 100 100 100 100 2.8-4.0 4.3=95, 2.1/3397=94...(18) HB2 LEU 103 + HA LEU 103 OK 87 87 100 100 2.2-2.4 3.0=100 HB2 LEU 119 - HA LEU 103 far 0 93 0 - 6.9-12.3 Violated in 0 structures by 0.00 A. Peak 3367 from aliabs.peaks (0.78, 4.01, 57.03 ppm; 3.37 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 103 + HA LEU 103 OK 100 100 100 100 2.0-3.8 3397=100, 2.1/3405=45...(19) QG1 VAL 63 - HA LEU 103 far 0 100 0 - 5.7-7.0 QD2 LEU 122 - HA LEU 103 far 0 100 0 - 5.9-8.7 QD1 LEU 122 - HA LEU 103 far 0 71 0 - 6.3-9.0 QD2 LEU 119 - HA LEU 103 far 0 99 0 - 6.5-9.8 QD1 LEU 96 - HA LEU 103 far 0 99 0 - 7.8-12.2 QD1 LEU 53 - HA LEU 103 far 0 96 0 - 7.9-15.8 QD1 ILE 32 - HA LEU 103 far 0 95 0 - 9.3-17.8 Violated in 2 structures by 0.03 A. Peak 3368 from aliabs.peaks (0.73, 4.01, 57.03 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.1-4.0 4.1=100 QD2 LEU 96 - HA LEU 103 far 0 90 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 3370 from aliabs.peaks (3.96, 1.58, 42.10 ppm; 4.64 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 103 OK 100 100 100 100 2.4-4.2 7463/3.9=48, 3229=44...(33) HD3 PRO 117 + HB2 LEU 103 OK 25 96 50 53 4.5-12.7 3670/11581=20...(8) HB3 SER 107 + HB2 LEU 103 OK 23 100 30 77 2.0-12.4 10106/3.2=33...(15) HB2 SER 106 - HB2 LEU 103 far 10 100 10 - 5.2-11.7 HB3 SER 106 - HB2 LEU 103 far 9 92 10 - 5.6-12.2 HA3 GLY 111 - HB2 LEU 103 far 4 85 5 - 5.9-15.6 HD3 PRO 113 - HB2 LEU 103 far 3 63 5 - 6.0-15.5 Violated in 0 structures by 0.00 A. Peak 3372 from aliabs.peaks (4.01, 1.58, 42.10 ppm; 4.44 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.2-2.4 3.0=100 HB3 SER 99 + HB2 LEU 103 OK 61 89 90 77 4.3-7.6 11475/10261=19...(12) HA LEU 119 - HB2 LEU 103 far 5 97 5 - 5.0-8.2 HA LEU 122 - HB2 LEU 103 far 0 71 0 - 7.3-10.2 HA SER 60 - HB2 LEU 103 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 3373 from aliabs.peaks (1.58, 1.58, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 Peak 3374 from aliabs.peaks (1.79, 1.58, 42.10 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 103 + HB2 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 100 - HB2 LEU 103 poor 17 83 20 - 4.4-7.0 HB3 LEU 122 - HB2 LEU 103 far 5 100 5 - 5.2-9.7 HB2 LEU 100 - HB2 LEU 103 far 0 60 0 - 5.4-7.0 HB3 LEU 98 - HB2 LEU 103 far 0 97 0 - 7.5-10.7 HB3 LYS 26 - HB2 LEU 103 far 0 78 0 - 7.7-26.3 Violated in 0 structures by 0.00 A. Peak 3375 from aliabs.peaks (1.56, 1.58, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: HB2 LEU 103 + HB2 LEU 103 OK 87 87 - 100 Reference assignment not found: HG LEU 103 - HB2 LEU 103 Peak 3376 from aliabs.peaks (0.78, 1.58, 42.10 ppm; 3.76 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.0-3.2 3.2=100 QD2 LEU 122 - HB2 LEU 103 poor 20 100 20 - 4.3-7.1 QD1 LEU 122 - HB2 LEU 103 poor 18 71 25 - 4.3-7.7 QG1 VAL 63 - HB2 LEU 103 far 10 100 10 - 5.0-6.7 QD2 LEU 119 - HB2 LEU 103 far 0 99 0 - 5.9-8.3 QD1 LEU 53 - HB2 LEU 103 far 0 96 0 - 6.1-14.0 QD1 LEU 96 - HB2 LEU 103 far 0 99 0 - 6.4-11.1 QD2 LEU 49 - HB2 LEU 103 far 0 90 0 - 8.8-12.8 QD1 ILE 32 - HB2 LEU 103 far 0 95 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 3377 from aliabs.peaks (0.73, 1.58, 42.10 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.0-2.7 3.1=100 QD2 LEU 96 - HB2 LEU 103 far 0 90 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 3379 from aliabs.peaks (3.96, 1.79, 42.10 ppm; 5.98 A): 6 out of 22 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 103 OK 100 100 100 100 1.6-2.7 3228/3.9=72, 3370/1.8=67...(34) HA LEU 100 + HB3 LEU 122 OK 94 94 100 100 3.5-5.9 ~10337=31, 3230=28...(47) HB3 SER 94 + HB3 LEU 98 OK 57 72 95 83 5.1-8.4 ~11438=64, ~11642=19...(5) HA LEU 100 + HB3 LEU 98 OK 40 76 55 96 7.3-8.7 11880/4.6=44, ~10020=33...(12) HB3 SER 107 + HB3 LEU 103 OK 26 100 30 87 3.3-11.0 10106/3.2=43...(18) HB2 SER 106 + HB3 LEU 103 OK 24 100 30 82 5.5-10.1 ~11535=32, 10106/3.2=26...(14) HB3 SER 106 - HB3 LEU 103 poor 18 92 20 - 5.6-10.5 HD3 PRO 117 - HB3 LEU 103 poor 16 96 25 67 5.9-14.3 3370/1.8=24, ~10141=18...(7) HA THR 65 - HB3 LEU 122 far 9 93 10 - 7.4-13.4 HB3 SER 107 - HB3 LEU 98 far 7 74 10 - 6.9-18.6 HB3 SER 107 - HB3 LEU 122 poor 7 93 30 25 6.0-15.8 11853/10260=13...(5) HA3 GLY 111 - HB3 LEU 103 far 4 85 5 - 7.3-16.2 HD3 PRO 113 - HB3 LEU 103 far 3 63 5 - 7.2-16.3 HB2 SER 124 - HB3 LEU 122 far 0 62 0 - 7.5-8.7 HB2 SER 106 - HB3 LEU 98 far 0 75 0 - 7.9-16.2 HA GLN 127 - HB3 LEU 122 far 0 94 0 - 8.7-10.4 HA GLU 91 - HB3 LEU 98 far 0 71 0 - 8.7-10.9 HD3 PRO 117 - HB3 LEU 122 far 0 87 0 - 8.7-12.8 HB3 SER 94 - HB3 LEU 122 far 0 91 0 - 8.9-12.0 HB3 SER 106 - HB3 LEU 98 far 0 64 0 - 9.3-17.0 HB2 SER 124 - HB3 LEU 98 far 0 46 0 - 9.7-13.1 HA VAL 20 - HB3 LEU 98 far 0 44 0 - 9.7-40.5 Violated in 0 structures by 0.00 A. Peak 3381 from aliabs.peaks (4.01, 1.79, 42.10 ppm; 6.80 A): 14 out of 22 assignments used, quality = 1.00: * HA LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 SER 124 + HB3 LEU 122 OK 93 94 100 99 7.0-8.0 10371/1.8=67...(19) HA LEU 119 + HB3 LEU 122 OK 88 88 100 100 4.6-6.8 3764=94, 3762/3.5=74...(17) HB3 SER 99 + HB3 LEU 103 OK 86 89 100 97 4.7-6.9 3372/1.8=38, ~11481=37...(21) HB3 SER 99 + HB3 LEU 122 OK 79 79 100 100 1.8-7.0 ~11374=54, 11702/3.1=51...(32) HA LYS 95 + HB3 LEU 98 OK 70 70 100 100 2.2-4.3 11468/3.0=99...(26) HA LEU 119 + HB3 LEU 103 OK 68 97 85 83 6.0-8.6 ~11426=63, 3405/3.1=25...(11) HA LEU 122 + HB3 LEU 122 OK 62 62 100 100 2.2-2.5 3.0=100 HB3 SER 99 + HB3 LEU 98 OK 60 61 100 99 3.9-6.9 ~11480=53, 3.7/7378=41...(16) HA LYS 95 + HB3 LEU 122 OK 59 89 85 77 5.1-9.6 4.9/3858=23, 3.6/3883=19...(23) HA LEU 103 + HB3 LEU 122 OK 48 94 65 79 7.2-11.1 3368/3386=19...(22) HB2 SER 124 + HB3 LEU 122 OK 44 62 75 95 7.5-8.7 ~10371=58, ~10373=35...(15) HA LEU 122 + HB3 LEU 103 OK 41 71 70 82 7.1-8.9 2.9/3876=19, ~11715=16...(18) HA LEU 122 + HB3 LEU 98 OK 26 46 85 65 5.6-9.7 7372/4.6=21, 7355/3.9=14...(19) HA GLN 68 - HB3 LEU 122 far 4 87 5 - 8.2-13.7 HA LEU 103 - HB3 LEU 98 far 4 76 5 - 7.8-11.4 HA LEU 119 - HB3 LEU 98 far 3 69 5 - 6.6-13.7 HA SER 60 - HB3 LEU 103 far 0 100 0 - 8.8-10.7 HB3 SER 124 - HB3 LEU 98 far 0 75 0 - 9.2-13.9 HA SER 50 - HB3 LEU 122 far 0 77 0 - 9.3-11.7 HB2 SER 124 - HB3 LEU 98 far 0 46 0 - 9.7-13.1 HA VAL 20 - HB3 LEU 98 far 0 48 0 - 9.7-40.5 Violated in 0 structures by 0.00 A. Peak 3382 from aliabs.peaks (1.58, 1.79, 42.10 ppm; 3.82 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 103 + HB3 LEU 103 OK 87 87 100 100 2.3-2.7 3.0=100 HG LEU 122 + HB3 LEU 122 OK 57 57 100 100 2.3-3.0 3.0=100 HG LEU 122 - HB3 LEU 103 poor 11 65 40 43 4.6-7.9 2.1/3903=7, 3406/3.1=6...(16) HB2 LEU 103 - HB3 LEU 122 far 5 94 5 - 5.2-9.7 HG LEU 123 - HB3 LEU 122 far 0 88 0 - 5.5-8.5 HG LEU 103 - HB3 LEU 122 far 0 77 0 - 6.2-10.2 HG LEU 122 - HB3 LEU 98 far 0 42 0 - 6.8-12.2 HG LEU 49 - HB3 LEU 122 far 0 93 0 - 7.3-11.5 HB2 LEU 103 - HB3 LEU 98 far 0 76 0 - 7.5-10.7 HG2 ARG 23 - HB3 LEU 98 far 0 65 0 - 8.2-37.3 HG LEU 123 - HB3 LEU 103 far 0 97 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 3383 from aliabs.peaks (1.79, 1.79, 42.10 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 103 + HB3 LEU 103 OK 100 100 - 100 HB3 LEU 122 + HB3 LEU 122 OK 94 94 - 100 HB3 LEU 98 + HB3 LEU 98 OK 70 70 - 100 Peak 3384 from aliabs.peaks (1.56, 1.79, 42.10 ppm; 4.81 A): 3 out of 13 assignments used, quality = 1.00: * HG LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 LEU 103 + HB3 LEU 103 OK 87 87 100 100 1.8-1.8 1.8=100 HB2 LEU 103 + HB3 LEU 122 OK 34 77 65 68 5.2-9.7 3.1/3386=12, ~3876=8...(28) HG LEU 123 - HB3 LEU 122 far 14 92 15 - 5.5-8.5 HG LEU 103 - HB3 LEU 122 far 5 94 5 - 6.2-10.2 HB2 LEU 119 - HB3 LEU 122 far 0 84 0 - 6.8-9.1 HG LEU 49 - HB3 LEU 122 far 0 86 0 - 7.3-11.5 HB2 LEU 119 - HB3 LEU 103 far 0 93 0 - 7.4-10.5 HB2 LEU 103 - HB3 LEU 98 far 0 59 0 - 7.5-10.7 HG2 ARG 23 - HB3 LEU 98 far 0 75 0 - 8.2-37.3 HB2 LEU 119 - HB3 LEU 98 far 0 65 0 - 8.9-16.0 HG LEU 123 - HB3 LEU 103 far 0 99 0 - 9.1-12.4 HB2 LEU 22 - HB3 LEU 98 far 0 64 0 - 9.8-38.0 Violated in 0 structures by 0.00 A. Peak 3385 from aliabs.peaks (0.78, 1.79, 42.10 ppm; 5.50 A): 10 out of 25 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.0-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 100 100 100 100 3.7-5.7 10965/3.0=82...(45) QD2 LEU 122 + HB3 LEU 122 OK 93 93 100 100 2.2-3.2 3.1=100 QD1 LEU 96 + HB3 LEU 122 OK 91 91 100 100 3.6-6.6 10382/11653=34...(57) QD2 LEU 122 + HB3 LEU 103 OK 84 100 100 84 3.4-6.8 11388/3269=10...(30) QD1 LEU 122 + HB3 LEU 122 OK 62 62 100 100 1.9-3.2 3.1=100 QD1 LEU 122 + HB3 LEU 103 OK 54 71 100 76 4.6-6.5 4.3/3876=11, ~3384=9...(28) QD1 LEU 53 + HB3 LEU 122 OK 33 87 55 68 4.5-9.1 3907/4.3=25...(16) QD1 LEU 96 + HB3 LEU 98 OK 25 72 45 77 5.6-8.2 11504/10051=32...(12) QD1 LEU 103 + HB3 LEU 122 OK 21 94 30 75 5.9-9.6 10265/11609=18...(25) QD1 LEU 53 - HB3 LEU 103 poor 19 96 20 - 6.3-13.4 QD2 LEU 122 - HB3 LEU 98 poor 17 74 40 58 6.1-10.2 11382/4.6=24...(15) QD2 LEU 49 - HB3 LEU 122 poor 17 81 55 38 4.1-8.1 11614/11678=10, ~1561=7...(10) QG1 VAL 63 - HB3 LEU 122 poor 16 94 25 67 6.1-9.4 10972/3.0=25...(16) QD1 LEU 96 - HB3 LEU 103 far 10 99 10 - 5.8-10.1 QD2 LEU 119 - HB3 LEU 122 far 9 91 10 - 6.8-8.6 QD2 LEU 119 - HB3 LEU 103 poor 5 99 25 21 5.9-8.2 3409/3.1=5, 3.9/3381=3...(7) QD1 LEU 122 - HB3 LEU 98 far 5 46 10 - 6.5-10.3 QD2 LEU 119 - HB3 LEU 98 far 4 72 5 - 7.0-14.1 QD2 LEU 49 - HB3 LEU 103 far 0 90 0 - 8.1-11.5 QD1 ILE 32 - HB3 LEU 103 far 0 95 0 - 8.4-15.4 QD1 LEU 103 - HB3 LEU 98 far 0 76 0 - 8.5-11.1 QD1 ILE 32 - HB3 LEU 122 far 0 86 0 - 8.6-13.6 QD1 ILE 37 - HB3 LEU 122 far 0 86 0 - 8.7-15.3 QD1 LEU 53 - HB3 LEU 98 far 0 68 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3386 from aliabs.peaks (0.73, 1.79, 42.10 ppm; 6.00 A): 4 out of 9 assignments used, quality = 1.00: * QD2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 96 + HB3 LEU 122 OK 81 81 100 100 4.3-6.4 11803/11653=29...(52) QD2 LEU 103 + HB3 LEU 122 OK 74 94 95 83 4.1-7.6 3405/3764=21...(27) QD2 LEU 96 + HB3 LEU 98 OK 27 62 65 66 4.8-8.4 5.1/3883=20...(10) QG1 VAL 93 - HB3 LEU 98 poor 16 61 35 76 6.6-9.4 11428/3.9=63...(6) QG1 VAL 93 - HB3 LEU 122 poor 16 79 20 - 7.0-8.9 QD2 LEU 96 - HB3 LEU 103 far 0 90 0 - 7.8-10.7 QD2 LEU 103 - HB3 LEU 98 far 0 76 0 - 8.1-10.5 HG12 ILE 129 - HB3 LEU 122 far 0 86 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 3389 from aliabs.peaks (4.01, 1.56, 26.82 ppm; 4.05 A): 5 out of 25 assignments used, quality = 1.00: * HA LEU 103 + HG LEU 103 OK 100 100 100 100 2.8-4.0 3397/2.1=92, 4.3=86...(18) HA LEU 119 + HG LEU 123 OK 79 91 90 97 2.5-7.1 3764/3.0=35...(31) HA SER 50 + HG LEU 49 OK 66 66 100 99 3.6-5.0 2.9/6620=29, 9218/2.1=27...(38) HA VAL 20 + HG2 ARG 23 OK 41 64 75 85 2.0-9.2 11783/6205=36, ~10713=22...(14) HA SER 50 + HG LEU 123 OK 37 80 50 94 2.7-6.8 11636/2.1=46...(24) HA LEU 119 - HG LEU 103 far 5 97 5 - 5.4-9.2 HB3 SER 124 - HG LEU 123 far 5 96 5 - 3.6-7.2 HB2 SER 124 - HG LEU 123 far 3 64 5 - 4.9-8.1 HA LEU 122 - HG LEU 123 far 0 64 0 - 5.7-7.9 HB3 SER 99 - HG LEU 103 far 0 89 0 - 6.2-9.5 HB2 SER 38 - HG2 ARG 23 far 0 88 0 - 6.3-32.5 HA SER 60 - HG LEU 103 far 0 100 0 - 6.8-8.5 HB3 SER 99 - HG LEU 123 far 0 82 0 - 6.9-11.6 HA GLU 44 - HG LEU 49 far 0 48 0 - 7.0-8.3 HA LEU 122 - HG LEU 103 far 0 71 0 - 7.8-11.1 HA ILE 37 - HG LEU 49 far 0 81 0 - 7.8-15.2 HA LEU 122 - HG LEU 49 far 0 52 0 - 8.4-12.0 HA LEU 119 - HG LEU 49 far 0 77 0 - 8.5-13.3 HA GLN 68 - HG2 ARG 23 far 0 87 0 - 8.7-23.0 HA ILE 37 - HG2 ARG 23 far 0 92 0 - 8.7-27.8 HA GLN 68 - HG LEU 49 far 0 75 0 - 9.0-12.0 HA VAL 20 - HG LEU 49 far 0 54 0 - 9.1-29.8 HB3 SER 124 - HG LEU 49 far 0 83 0 - 9.1-13.0 HA SER 60 - HG2 ARG 23 far 0 93 0 - 9.3-28.4 HB2 SER 124 - HG LEU 49 far 0 52 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 3390 from aliabs.peaks (1.58, 1.56, 26.82 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG LEU 123 + HG LEU 123 OK 91 91 - 100 HG LEU 103 + HG LEU 103 OK 87 87 - 100 HG2 ARG 23 + HG2 ARG 23 OK 84 84 - 100 HG LEU 49 + HG LEU 49 OK 82 82 - 100 Reference assignment not found: HB2 LEU 103 - HG LEU 103 Peak 3391 from aliabs.peaks (1.79, 1.56, 26.82 ppm; 3.01 A): 2 out of 28 assignments used, quality = 1.00: * HB3 LEU 103 + HG LEU 103 OK 100 100 100 100 2.3-2.7 3.0=100 HB3 ARG 23 + HG2 ARG 23 OK 62 62 100 100 2.3-3.0 3.0=100 HB2 LEU 48 - HG LEU 49 poor 20 73 35 78 3.6-6.4 3.1/9205=23...(24) HG LEU 100 - HG LEU 103 far 12 83 15 - 3.8-7.1 HB3 LYS 19 - HG2 ARG 23 far 4 84 5 - 3.1-12.6 HB3 LYS 26 - HG2 ARG 23 far 3 69 5 - 4.0-13.0 HB3 LYS 31 - HG2 ARG 23 far 0 75 0 - 5.4-21.6 HB3 LYS 24 - HG2 ARG 23 far 0 71 0 - 5.4-8.2 HB3 LEU 122 - HG LEU 123 far 0 96 0 - 5.5-8.5 HB2 LYS 36 - HG2 ARG 23 far 0 64 0 - 5.6-29.1 HB2 LEU 100 - HG LEU 103 far 0 60 0 - 5.8-7.8 HB3 LEU 122 - HG LEU 103 far 0 100 0 - 6.2-10.2 HG LEU 100 - HG LEU 123 far 0 76 0 - 6.7-11.6 HB3 LYS 26 - HG LEU 103 far 0 78 0 - 6.9-25.0 HB ILE 32 - HG2 ARG 23 far 0 77 0 - 7.0-21.5 HB3 LEU 122 - HG LEU 49 far 0 83 0 - 7.3-11.5 HG LEU 100 - HG LEU 49 far 0 62 0 - 7.4-13.4 HB2 LEU 100 - HG LEU 123 far 0 54 0 - 7.8-11.3 HB2 LEU 48 - HG2 ARG 23 far 0 84 0 - 7.9-30.1 HB2 LYS 36 - HG LEU 49 far 0 54 0 - 7.9-18.8 HB3 LEU 98 - HG2 ARG 23 far 0 89 0 - 8.2-37.3 HB3 LYS 19 - HG LEU 49 far 0 73 0 - 8.6-33.8 HB3 ARG 23 - HG LEU 103 far 0 71 0 - 8.7-31.3 HB3 LYS 26 - HG LEU 49 far 0 58 0 - 8.8-22.7 HB2 LEU 48 - HG LEU 123 far 0 87 0 - 8.9-14.0 HB3 LEU 103 - HG LEU 123 far 0 96 0 - 9.1-12.4 HB2 LEU 100 - HG LEU 49 far 0 43 0 - 9.2-13.3 HB ILE 32 - HG LEU 49 far 0 66 0 - 9.3-15.6 Violated in 0 structures by 0.00 A. Peak 3392 from aliabs.peaks (1.56, 1.56, 26.82 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 103 + HG LEU 103 OK 100 100 - 100 HG LEU 123 + HG LEU 123 OK 94 94 - 100 HG2 ARG 23 + HG2 ARG 23 OK 93 93 - 100 HG LEU 49 + HG LEU 49 OK 74 74 - 100 Peak 3393 from aliabs.peaks (0.78, 1.56, 26.82 ppm; 3.04 A): 6 out of 31 assignments used, quality = 1.00: * QD1 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 63 + HG LEU 103 OK 78 100 85 92 2.9-4.8 ~11832=16, ~11835=16...(28) QD2 LEU 49 + HG LEU 49 OK 70 70 100 100 2.1-2.1 2.1=100 QD2 LEU 119 + HG LEU 123 OK 36 93 55 70 2.3-8.4 3791=15, 3790/3389=10...(23) QD1 LEU 53 + HG LEU 123 OK 35 89 75 52 1.9-5.2 11422/2.1=13...(19) QD1 LEU 122 + HG LEU 123 OK 31 64 75 64 2.5-6.3 11422/2.1=16, 3899/4.6=9...(22) QD1 LEU 53 - HG LEU 49 poor 19 75 25 - 3.7-7.3 QD2 LEU 122 - HG LEU 123 poor 19 95 30 66 2.0-6.8 11422/2.1=13...(22) QD2 LEU 122 - HG LEU 103 far 10 100 10 - 4.2-8.1 QD2 LEU 49 - HG LEU 123 far 4 83 5 - 4.4-7.0 QD1 LEU 122 - HG LEU 103 far 4 71 5 - 3.9-7.7 QD2 LEU 119 - HG LEU 103 far 0 99 0 - 4.7-8.7 QD1 LEU 122 - HG LEU 49 far 0 52 0 - 5.0-8.4 QD2 LEU 122 - HG LEU 49 far 0 82 0 - 5.3-9.2 QD1 ILE 32 - HG LEU 49 far 0 74 0 - 5.3-12.4 QD1 ILE 32 - HG2 ARG 23 far 0 86 0 - 5.6-16.6 QD1 ILE 37 - HG LEU 49 far 0 74 0 - 6.2-13.2 QD1 LEU 53 - HG LEU 103 far 0 96 0 - 6.5-14.3 QD1 LEU 96 - HG LEU 49 far 0 80 0 - 6.7-10.0 QD2 LEU 119 - HG LEU 49 far 0 80 0 - 6.8-14.5 QD1 LEU 96 - HG LEU 103 far 0 99 0 - 7.3-11.9 QG1 VAL 63 - HG LEU 123 far 0 96 0 - 7.6-12.6 QD1 LEU 96 - HG LEU 123 far 0 93 0 - 7.8-10.2 QD1 LEU 103 - HG LEU 123 far 0 96 0 - 7.9-10.5 QG1 VAL 63 - HG2 ARG 23 far 0 94 0 - 8.2-24.2 QD1 ILE 32 - HG LEU 123 far 0 88 0 - 8.3-16.2 QD1 ILE 37 - HG2 ARG 23 far 0 86 0 - 8.3-23.4 QD2 LEU 49 - HG LEU 103 far 0 90 0 - 8.3-12.1 QD1 ILE 32 - HG LEU 103 far 0 95 0 - 8.4-15.6 QD1 ILE 37 - HG LEU 123 far 0 88 0 - 8.5-17.6 QG1 VAL 63 - HG LEU 49 far 0 83 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 3394 from aliabs.peaks (0.73, 1.56, 26.82 ppm; 4.34 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 103 - HG LEU 123 far 0 96 0 - 6.1-10.8 QD2 LEU 96 - HG LEU 49 far 0 70 0 - 6.2-11.6 QD2 LEU 43 - HG LEU 49 far 0 77 0 - 6.8-9.0 QD2 LEU 96 - HG LEU 123 far 0 83 0 - 8.7-11.4 QD2 LEU 103 - HG LEU 49 far 0 83 0 - 8.8-13.8 HG12 ILE 129 - HG LEU 49 far 0 74 0 - 9.1-12.6 QD2 LEU 96 - HG LEU 103 far 0 90 0 - 9.4-12.3 QD2 LEU 43 - HG LEU 123 far 0 91 0 - 9.5-14.7 QG1 VAL 93 - HG LEU 49 far 0 68 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3397 from aliabs.peaks (4.01, 0.78, 24.12 ppm; 3.01 A): 1 out of 7 assignments used, quality = 0.98: * HA LEU 103 + QD1 LEU 103 OK 98 100 100 98 2.0-3.8 3367=71, 3368/2.1=40...(16) HA LEU 119 - QD1 LEU 103 far 0 97 0 - 4.9-7.5 HB3 SER 99 - QD1 LEU 103 far 0 89 0 - 5.3-8.2 HA SER 60 - QD1 LEU 103 far 0 100 0 - 6.0-8.4 HA LEU 122 - QD1 LEU 103 far 0 71 0 - 7.3-10.0 HA GLN 68 - QD1 LEU 103 far 0 96 0 - 9.4-13.4 HB3 SER 124 - QD1 LEU 103 far 0 100 0 - 10.0-12.1 Violated in 2 structures by 0.07 A. Peak 3398 from aliabs.peaks (1.58, 0.78, 24.12 ppm; 3.25 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.0-3.2 3.2=100 HG LEU 103 + QD1 LEU 103 OK 87 87 100 100 2.1-2.1 2.1=100 HG LEU 122 - QD1 LEU 103 far 0 65 0 - 4.8-8.8 HG LEU 123 - QD1 LEU 103 far 0 97 0 - 7.9-10.5 Violated in 0 structures by 0.00 A. Peak 3399 from aliabs.peaks (1.79, 0.78, 24.12 ppm; 3.27 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.0-3.2 3.2=100 HG LEU 100 - QD1 LEU 103 far 8 83 10 - 2.4-7.5 HB2 LEU 100 - QD1 LEU 103 far 6 60 10 - 4.5-7.7 HB3 LEU 122 - QD1 LEU 103 far 0 100 0 - 5.9-9.6 HB3 LYS 26 - QD1 LEU 103 far 0 78 0 - 6.7-22.5 HB3 ARG 23 - QD1 LEU 103 far 0 71 0 - 8.4-27.8 HB3 LEU 98 - QD1 LEU 103 far 0 97 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 3400 from aliabs.peaks (1.56, 0.78, 24.12 ppm; 2.76 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 + QD1 LEU 103 OK 82 87 100 94 2.0-3.2 3.2=65, 3.0/3397=39...(18) HB2 LEU 119 - QD1 LEU 103 far 0 93 0 - 5.4-8.7 HG LEU 123 - QD1 LEU 103 far 0 99 0 - 7.9-10.5 Violated in 0 structures by 0.00 A. Peak 3401 from aliabs.peaks (0.78, 0.78, 24.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 103 + QD1 LEU 103 OK 100 100 - 100 Peak 3402 from aliabs.peaks (0.73, 0.78, 24.12 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 96 - QD1 LEU 103 far 0 90 0 - 8.1-11.2 QG1 VAL 93 - QD1 LEU 103 far 0 89 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3405 from aliabs.peaks (4.01, 0.73, 25.24 ppm; 3.35 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 103 + QD2 LEU 103 OK 99 100 100 99 2.1-4.0 3397/2.1=74, 3368=61...(16) HA LEU 119 + QD2 LEU 103 OK 28 97 60 48 3.1-6.4 ~11426=17, 4.9/11841=16...(8) HB3 SER 99 - QD2 LEU 103 poor 18 89 40 52 4.1-6.9 3372/3.1=14...(12) HA SER 60 - QD2 LEU 103 far 0 100 0 - 5.9-7.6 HA LEU 122 - QD2 LEU 103 far 0 71 0 - 5.9-8.8 HB3 SER 124 - QD2 LEU 103 far 0 100 0 - 8.7-11.6 HA SER 50 - QD2 LEU 103 far 0 87 0 - 8.7-13.3 HA GLN 68 - QD2 LEU 103 far 0 96 0 - 9.3-12.1 HA LYS 95 - QD2 LEU 103 far 0 97 0 - 9.6-11.7 HB2 SER 124 - QD2 LEU 103 far 0 71 0 - 9.8-12.7 Violated in 17 structures by 0.29 A. Peak 3406 from aliabs.peaks (1.58, 0.73, 25.24 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.0-2.7 3.1=100 HG LEU 103 + QD2 LEU 103 OK 87 87 100 100 2.1-2.1 2.1=100 HG LEU 122 - QD2 LEU 103 poor 16 65 65 38 3.2-7.7 3.0/3386=8, 4.6/11715=5...(17) HG LEU 123 - QD2 LEU 103 far 0 97 0 - 6.1-10.8 HG LEU 49 - QD2 LEU 103 far 0 100 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 3407 from aliabs.peaks (1.79, 0.73, 25.24 ppm; 3.34 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 100 + QD2 LEU 103 OK 48 83 75 77 2.9-5.3 3251/3.1=8, 9399/11832=8...(28) HB2 LEU 100 + QD2 LEU 103 OK 29 60 55 89 4.4-6.7 ~3370=10, ~3243=9...(44) HB3 LEU 122 - QD2 LEU 103 poor 10 100 25 42 4.1-7.6 3386=10, 3.5/11715=6...(14) HB3 LYS 26 - QD2 LEU 103 far 0 78 0 - 6.7-20.2 HB3 LEU 98 - QD2 LEU 103 far 0 97 0 - 8.1-10.5 HB3 ARG 23 - QD2 LEU 103 far 0 71 0 - 9.0-25.6 HB2 LEU 48 - QD2 LEU 103 far 0 93 0 - 9.8-16.2 Violated in 0 structures by 0.00 A. Peak 3408 from aliabs.peaks (1.56, 0.73, 25.24 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 + QD2 LEU 103 OK 87 87 100 100 2.0-2.7 3.1=100 HB2 LEU 119 - QD2 LEU 103 far 5 93 5 - 4.5-7.2 HG LEU 123 - QD2 LEU 103 far 0 99 0 - 6.1-10.8 HG LEU 49 - QD2 LEU 103 far 0 95 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 3409 from aliabs.peaks (0.78, 0.73, 25.24 ppm; 2.50 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 103 + QD2 LEU 103 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 63 + QD2 LEU 103 OK 30 100 35 86 2.7-4.8 2.1/11822=21...(36) QD1 LEU 122 - QD2 LEU 103 poor 9 71 55 22 3.0-5.6 3.1/3386=4...(10) QD2 LEU 122 - QD2 LEU 103 poor 8 100 30 28 2.3-7.0 11612/11822=4...(11) QD2 LEU 119 - QD2 LEU 103 poor 8 99 30 27 2.7-6.2 10292/11831=6...(11) QD1 LEU 53 - QD2 LEU 103 far 5 96 5 - 3.8-11.2 QD1 LEU 96 - QD2 LEU 103 far 0 99 0 - 5.4-10.0 QD2 LEU 49 - QD2 LEU 103 far 0 90 0 - 6.2-10.3 QD1 ILE 32 - QD2 LEU 103 far 0 95 0 - 7.4-13.4 QD1 ILE 37 - QD2 LEU 103 far 0 95 0 - 9.3-15.3 Violated in 0 structures by 0.00 A. Peak 3410 from aliabs.peaks (0.73, 0.73, 25.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 103 + QD2 LEU 103 OK 100 100 - 100 Peak 3413 from aliabs.peaks (4.09, 4.09, 58.10 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLN 104 + HA GLN 104 OK 100 100 - 100 HA LEU 48 + HA LEU 48 OK 77 77 - 100 HA LEU 98 + HA LEU 98 OK 41 41 - 100 Peak 3414 from aliabs.peaks (2.19, 4.09, 58.10 ppm; 3.56 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLN 104 + HA GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 + HA LEU 98 OK 33 42 80 96 3.2-5.2 1.8/3157=33, 3287=28...(20) HB2 GLN 101 - HA GLN 104 far 0 89 0 - 7.8-9.6 HB2 GLN 104 - HA LEU 98 far 0 54 0 - 8.5-11.1 HG2 GLN 68 - HA LEU 48 far 0 49 0 - 8.6-16.1 HG2 GLN 68 - HA GLN 104 far 0 65 0 - 9.3-15.9 HB2 GLN 68 - HA GLN 104 far 0 57 0 - 9.4-14.6 HB2 GLN 68 - HA LEU 48 far 0 42 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 3415 from aliabs.peaks (2.22, 4.09, 58.10 ppm; 3.61 A): 3 out of 17 assignments used, quality = 1.00: * HB3 GLN 104 + HA GLN 104 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLU 97 + HA LEU 98 OK 51 53 100 96 3.6-4.6 ~7358=31, ~3124=29...(23) HB2 GLN 101 + HA LEU 98 OK 38 41 95 97 3.2-5.2 1.8/3157=34, 3287=29...(20) HB3 GLU 102 - HA LEU 98 poor 20 53 75 50 3.2-6.7 3.8/7447=15, 2139/3.6=8...(14) HG2 GLU 97 - HA LEU 98 poor 12 40 30 - 3.5-6.6 HB3 GLN 104 - HA LEU 98 far 0 54 0 - 7.6-12.0 HB3 GLU 102 - HA GLN 104 far 0 100 0 - 7.6-8.9 HB3 LEU 96 - HA LEU 98 far 0 40 0 - 7.7-8.8 HB3 GLN 127 - HA LEU 48 far 0 85 0 - 7.8-11.7 HB2 GLN 101 - HA GLN 104 far 0 87 0 - 7.8-9.6 HG2 GLN 68 - HA LEU 48 far 0 81 0 - 8.6-16.1 HG2 GLN 68 - HA GLN 104 far 0 99 0 - 9.3-15.9 HB3 LEU 96 - HA GLN 104 far 0 85 0 - 9.3-15.9 HB2 GLN 68 - HA GLN 104 far 0 100 0 - 9.4-14.6 HB2 GLN 68 - HA LEU 48 far 0 83 0 - 9.4-13.5 HB3 GLU 97 - HA GLN 104 far 0 100 0 - 9.4-11.5 HG2 GLU 97 - HA GLN 104 far 0 85 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 3416 from aliabs.peaks (2.38, 4.09, 58.10 ppm; 3.63 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 104 + HA GLN 104 OK 100 100 100 100 2.1-4.3 3442=83, 1.8/3417=68...(23) HG3 GLU 97 - HA LEU 98 far 6 37 15 - 3.1-6.6 HG3 GLN 61 - HA LEU 48 far 0 49 0 - 7.4-13.2 HG3 GLU 55 - HA LEU 48 far 0 82 0 - 8.3-12.2 HG2 GLN 104 - HA LEU 98 far 0 54 0 - 8.7-12.9 HG3 GLU 97 - HA GLN 104 far 0 81 0 - 9.5-13.7 HG3 GLN 61 - HA GLN 104 far 0 65 0 - 9.8-14.2 Violated in 8 structures by 0.15 A. Peak 3417 from aliabs.peaks (2.47, 4.09, 58.10 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 104 + HA GLN 104 OK 100 100 100 100 2.3-4.2 3.9=94, 1.8/3416=79...(22) HG3 GLU 44 - HA LEU 48 far 0 78 0 - 6.8-9.4 HG3 GLN 127 - HA LEU 48 far 0 83 0 - 7.7-12.0 HG3 GLN 104 - HA LEU 98 far 0 54 0 - 8.2-12.5 HG2 GLU 55 - HA LEU 48 far 0 53 0 - 8.5-11.1 HG2 MET 11 - HA GLN 104 far 0 60 0 - 10.0-51.6 Violated in 8 structures by 0.09 A. Peak 3421 from aliabs.peaks (4.11, 2.19, 29.39 ppm; 4.67 A): 2 out of 4 assignments used, quality = 0.98: * HA GLN 101 + HB2 GLN 104 OK 88 100 95 93 3.2-6.8 3282/7493=54, 3283=27...(11) HA GLN 104 + HB2 GLN 104 OK 87 87 100 100 2.2-3.0 3.0=100 HA LEU 98 - HB2 GLN 104 far 0 100 0 - 8.5-11.1 HA ILE 32 - HB2 GLN 104 far 0 100 0 - 9.8-21.6 Violated in 0 structures by 0.00 A. Peak 3423 from aliabs.peaks (4.09, 2.19, 29.39 ppm; 4.47 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLN 101 + HB2 GLN 104 OK 64 87 85 87 3.2-6.8 3282/7493=40, 3283=22...(11) HB THR 65 - HB2 GLN 104 far 0 73 0 - 8.3-13.5 HA LEU 98 - HB2 GLN 104 far 0 87 0 - 8.5-11.1 HA ILE 32 - HB2 GLN 104 far 0 85 0 - 9.8-21.6 Violated in 0 structures by 0.00 A. Peak 3424 from aliabs.peaks (2.19, 2.19, 29.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 104 + HB2 GLN 104 OK 100 100 - 100 Peak 3425 from aliabs.peaks (2.22, 2.19, 29.39 ppm; 3.16 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 - HB2 GLN 104 far 0 87 0 - 5.2-8.9 HB3 GLU 102 - HB2 GLN 104 far 0 100 0 - 6.7-9.6 HB3 GLU 97 - HB2 GLN 104 far 0 100 0 - 7.0-10.8 HG2 GLU 97 - HB2 GLN 104 far 0 85 0 - 8.0-12.5 HB3 LEU 96 - HB2 GLN 104 far 0 85 0 - 8.1-14.9 HB2 GLN 68 - HB2 GLN 104 far 0 100 0 - 8.2-12.8 HG2 GLN 68 - HB2 GLN 104 far 0 99 0 - 8.6-13.7 Violated in 0 structures by 0.00 A. Peak 3426 from aliabs.peaks (2.38, 2.19, 29.39 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 97 - HB2 GLN 104 far 0 81 0 - 6.8-12.9 Violated in 0 structures by 0.00 A. Peak 3427 from aliabs.peaks (2.47, 2.19, 29.39 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HB2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HB2 GLN 104 far 0 60 0 - 9.5-51.3 Violated in 0 structures by 0.00 A. Peak 3431 from aliabs.peaks (4.11, 2.22, 29.39 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.93: HA GLN 104 + HB3 GLN 104 OK 87 87 100 100 2.2-2.9 3.0=100 * HA GLN 101 + HB3 GLN 104 OK 45 100 50 91 2.7-7.4 3282/7494=54...(12) HA LEU 98 - HB3 GLN 104 far 0 100 0 - 7.6-12.0 Violated in 0 structures by 0.00 A. Peak 3433 from aliabs.peaks (4.09, 2.22, 29.39 ppm; 4.50 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-2.9 3.0=100 HA GLN 101 + HB3 GLN 104 OK 33 87 45 83 2.7-7.4 3282/7494=39...(10) HA LEU 98 - HB3 GLN 104 far 0 87 0 - 7.6-12.0 HB THR 65 - HB3 GLN 104 far 0 73 0 - 8.8-14.2 Violated in 0 structures by 0.00 A. Peak 3434 from aliabs.peaks (2.19, 2.22, 29.39 ppm; 3.09 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 104 + HB3 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 101 - HB3 GLN 104 far 0 89 0 - 5.1-9.5 HB2 GLN 68 - HB3 GLN 104 far 0 57 0 - 8.0-13.2 HG2 GLN 68 - HB3 GLN 104 far 0 65 0 - 8.0-14.6 HB3 GLN 68 - HB3 GLN 104 far 0 99 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 3435 from aliabs.peaks (2.22, 2.22, 29.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 104 + HB3 GLN 104 OK 100 100 - 100 Peak 3436 from aliabs.peaks (2.38, 2.22, 29.39 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 97 - HB3 GLN 104 far 0 81 0 - 8.2-13.4 Violated in 0 structures by 0.00 A. Peak 3437 from aliabs.peaks (2.47, 2.22, 29.39 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HB3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HB3 GLN 104 far 0 60 0 - 9.0-51.2 Violated in 0 structures by 0.00 A. Peak 3442 from aliabs.peaks (4.09, 2.38, 34.44 ppm; 3.21 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.1-4.3 3416=69, 3451/1.8=55...(22) HA GLN 101 - HG2 GLN 104 poor 20 87 45 51 3.2-8.1 3282/7495=17...(6) HA LEU 98 - HG2 GLN 104 far 0 87 0 - 8.7-12.9 HB THR 65 - HG2 GLN 104 far 0 73 0 - 9.2-13.7 HA ILE 32 - HG2 GLN 104 far 0 85 0 - 9.9-22.3 Violated in 17 structures by 0.44 A. Peak 3443 from aliabs.peaks (2.19, 2.38, 34.44 ppm; 3.08 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 0 89 0 - 5.2-10.2 HG2 GLN 68 - HG2 GLN 104 far 0 65 0 - 7.5-13.8 HB2 GLN 68 - HG2 GLN 104 far 0 57 0 - 8.0-12.5 HB3 GLN 68 - HG2 GLN 104 far 0 99 0 - 9.4-13.8 Violated in 0 structures by 0.00 A. Peak 3444 from aliabs.peaks (2.22, 2.38, 34.44 ppm; 3.04 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG2 GLN 104 far 0 87 0 - 5.2-10.2 HB3 GLU 97 - HG2 GLN 104 far 0 100 0 - 6.9-12.3 HB3 GLU 102 - HG2 GLN 104 far 0 100 0 - 7.1-10.6 HG2 GLU 97 - HG2 GLN 104 far 0 85 0 - 7.1-13.1 HG2 GLN 68 - HG2 GLN 104 far 0 99 0 - 7.5-13.8 HB2 GLN 68 - HG2 GLN 104 far 0 100 0 - 8.0-12.5 Violated in 0 structures by 0.00 A. Peak 3445 from aliabs.peaks (2.38, 2.38, 34.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 104 + HG2 GLN 104 OK 100 100 - 100 Peak 3446 from aliabs.peaks (2.47, 2.38, 34.44 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HG2 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 11 - HG2 GLN 104 far 0 60 0 - 7.2-49.1 Violated in 0 structures by 0.00 A. Peak 3451 from aliabs.peaks (4.09, 2.47, 34.44 ppm; 3.34 A): 2 out of 9 assignments used, quality = 1.00: * HA GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.3-4.2 3417=67, 3416/1.8=63...(22) HA GLN 101 + HG3 GLN 104 OK 21 87 40 59 2.8-8.2 3282/7496=20...(7) HA CYS 45 - HG3 GLU 44 poor 18 46 40 - 3.1-6.6 HA ILE 32 - HG3 GLU 44 far 0 60 0 - 5.7-19.8 HA LEU 48 - HG3 GLU 44 far 0 71 0 - 6.8-9.4 HA LEU 98 - HG3 GLN 104 far 0 87 0 - 8.2-12.5 HB THR 65 - HG3 GLU 44 far 0 50 0 - 8.2-15.8 HA ILE 32 - HG3 GLN 104 far 0 85 0 - 9.4-21.9 HA LEU 49 - HG3 GLU 44 far 0 60 0 - 9.5-12.7 Violated in 8 structures by 0.08 A. Peak 3452 from aliabs.peaks (2.19, 2.47, 34.44 ppm; 3.16 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 0 89 0 - 4.9-10.3 HB3 GLN 68 - HG3 GLU 44 far 0 75 0 - 7.2-14.5 HG2 GLN 68 - HG3 GLU 44 far 0 44 0 - 7.3-14.8 HG2 GLN 68 - HG3 GLN 104 far 0 65 0 - 7.4-14.8 HB2 GLN 68 - HG3 GLU 44 far 0 38 0 - 7.9-15.2 HB2 GLN 68 - HG3 GLN 104 far 0 57 0 - 8.0-13.5 HB3 GLN 68 - HG3 GLN 104 far 0 99 0 - 9.3-14.8 HB VAL 133 - HG3 GLU 44 far 0 78 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 3453 from aliabs.peaks (2.22, 2.47, 34.44 ppm; 3.19 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 104 + HG3 GLN 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 101 - HG3 GLN 104 far 0 87 0 - 4.9-10.3 HB3 GLU 102 - HG3 GLN 104 far 0 100 0 - 5.7-9.8 HG2 GLU 97 - HG3 GLN 104 far 0 85 0 - 5.8-13.4 HB3 GLU 97 - HG3 GLN 104 far 0 100 0 - 6.5-12.3 HG2 GLN 68 - HG3 GLU 44 far 0 75 0 - 7.3-14.8 HG2 GLN 68 - HG3 GLN 104 far 0 99 0 - 7.4-14.8 HB2 GLN 68 - HG3 GLU 44 far 0 77 0 - 7.9-15.2 HB2 GLN 68 - HG3 GLN 104 far 0 100 0 - 8.0-13.5 HB3 LEU 96 - HG3 GLN 104 far 0 85 0 - 9.1-16.4 Violated in 0 structures by 0.00 A. Peak 3454 from aliabs.peaks (2.38, 2.47, 34.44 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 104 + HG3 GLN 104 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 40 - HG3 GLU 44 far 3 68 5 - 3.7-9.8 HG3 GLU 97 - HG3 GLN 104 far 0 81 0 - 6.8-13.9 HG3 GLN 61 - HG3 GLN 104 far 0 65 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 3455 from aliabs.peaks (2.47, 2.47, 34.44 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 104 + HG3 GLN 104 OK 100 100 - 100 HG3 GLU 44 + HG3 GLU 44 OK 72 72 - 100 Peak 3460 from aliabs.peaks (4.18, 4.18, 62.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 105 + HA VAL 105 OK 100 100 - 100 Peak 3461 from aliabs.peaks (2.27, 4.18, 62.53 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 105 + HA VAL 105 OK 100 100 100 100 2.4-2.7 3.0=100 HG2 GLU 30 - HA VAL 105 far 0 100 0 - 6.5-26.6 HB3 PRO 113 - HA VAL 105 far 0 99 0 - 8.9-20.3 HG2 GLU 97 - HA VAL 105 far 0 76 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 3462 from aliabs.peaks (0.95, 4.18, 62.53 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 105 + HA VAL 105 OK 100 100 100 100 2.0-2.4 3.2=100 QG2 VAL 112 - HA VAL 105 far 0 57 0 - 7.4-17.5 QG1 VAL 112 - HA VAL 105 far 0 96 0 - 8.2-17.3 QD1 LEU 119 - HA VAL 105 far 0 92 0 - 8.9-14.9 Violated in 0 structures by 0.00 A. Peak 3463 from aliabs.peaks (1.01, 4.18, 62.53 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 105 + HA VAL 105 OK 100 100 100 100 3.1-3.2 3.2=100 QG2 VAL 118 - HA VAL 105 far 0 100 0 - 8.2-12.5 Violated in 0 structures by 0.00 A. Peak 3465 from aliabs.peaks (4.05, 2.27, 31.70 ppm; 4.05 A): 1 out of 5 assignments used, quality = 0.55: * HA GLU 102 + HB VAL 105 OK 55 100 55 99 4.1-7.5 11508/2.1=84...(13) HD3 PRO 81 - HB VAL 132 far 5 53 10 - 4.2-8.8 HA LEU 119 - HB3 PRO 113 far 3 68 5 - 5.3-13.3 HA ALA 92 - HB VAL 132 far 0 57 0 - 8.3-10.6 HA GLU 102 - HB3 PRO 113 far 0 95 0 - 9.4-20.1 Violated in 20 structures by 1.34 A. Peak 3467 from aliabs.peaks (4.18, 2.27, 31.70 ppm; 3.15 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 105 + HB VAL 105 OK 100 100 100 100 2.4-2.7 3.0=100 HA LEU 53 - HB3 PRO 113 far 0 95 0 - 4.8-15.0 HA ALA 88 - HB VAL 132 far 0 30 0 - 6.0-7.5 HA GLU 128 - HB VAL 132 far 0 49 0 - 6.6-7.5 HB THR 25 - HB VAL 105 far 0 96 0 - 8.5-31.2 HA VAL 105 - HB3 PRO 113 far 0 95 0 - 8.9-20.3 HB THR 83 - HB VAL 132 far 0 35 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 3468 from aliabs.peaks (2.27, 2.27, 31.70 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB VAL 105 + HB VAL 105 OK 100 100 - 100 HB3 PRO 113 + HB3 PRO 113 OK 92 92 - 100 HB VAL 132 + HB VAL 132 OK 50 50 - 100 Peak 3469 from aliabs.peaks (0.95, 2.27, 31.70 ppm; 2.73 A): 1 out of 13 assignments used, quality = 1.00: * QG1 VAL 105 + HB VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - HB3 PRO 113 far 13 84 15 - 1.9-9.4 QG1 VAL 112 - HB3 PRO 113 far 0 88 0 - 4.4-4.9 QD2 LEU 53 - HB3 PRO 113 far 0 87 0 - 4.9-16.2 QG2 VAL 112 - HB3 PRO 113 far 0 50 0 - 5.2-6.5 QG1 VAL 57 - HB3 PRO 113 far 0 89 0 - 5.6-13.3 QD1 LEU 123 - HB3 PRO 113 far 0 55 0 - 7.3-16.1 QG2 VAL 112 - HB VAL 105 far 0 57 0 - 8.1-17.9 QG2 VAL 126 - HB VAL 132 far 0 55 0 - 8.4-11.0 QD1 LEU 119 - HB VAL 105 far 0 92 0 - 9.0-15.4 QG1 VAL 105 - HB3 PRO 113 far 0 95 0 - 9.2-17.7 QG1 VAL 112 - HB VAL 105 far 0 96 0 - 9.4-17.5 QG1 VAL 126 - HB VAL 132 far 0 59 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3470 from aliabs.peaks (1.01, 2.27, 31.70 ppm; 2.95 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 105 + HB VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 118 - HB3 PRO 113 far 0 94 0 - 6.4-12.8 QD1 LEU 69 - HB VAL 132 far 0 59 0 - 7.9-11.6 QG2 VAL 105 - HB3 PRO 113 far 0 95 0 - 8.0-16.0 QG2 VAL 118 - HB VAL 105 far 0 100 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 3473 from aliabs.peaks (4.18, 0.95, 20.99 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.0-2.4 3.2=100 HA LEU 53 - QG1 VAL 57 far 10 67 15 - 4.1-7.7 HB THR 18 - QG1 VAL 57 far 7 66 10 - 4.1-32.0 HB THR 25 - QG1 VAL 105 far 0 96 0 - 6.3-25.9 HB THR 25 - QG1 VAL 57 far 0 60 0 - 7.5-24.4 HA VAL 105 - QG1 VAL 112 far 0 71 0 - 8.2-17.3 HA LEU 53 - QG1 VAL 112 far 0 71 0 - 8.4-13.8 Violated in 0 structures by 0.00 A. Peak 3474 from aliabs.peaks (2.27, 0.95, 20.99 ppm; 2.93 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 105 + QG1 VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLN 61 + QG1 VAL 57 OK 54 56 100 96 2.0-4.1 9377=34, 1.8/10937=34...(21) HB3 PRO 113 - QG1 VAL 112 far 3 68 5 - 4.4-4.9 HB3 PRO 113 - QG1 VAL 57 far 0 64 0 - 5.6-13.3 HG2 GLU 97 - QG1 VAL 105 far 0 76 0 - 6.3-11.9 HG2 GLU 30 - QG1 VAL 57 far 0 65 0 - 6.7-21.8 HG2 GLU 30 - QG1 VAL 105 far 0 100 0 - 7.3-22.4 HG2 GLN 61 - QG1 VAL 112 far 0 60 0 - 8.0-16.2 HB3 PRO 113 - QG1 VAL 105 far 0 99 0 - 9.2-17.7 HB VAL 105 - QG1 VAL 112 far 0 71 0 - 9.4-17.5 Violated in 0 structures by 0.00 A. Peak 3475 from aliabs.peaks (0.95, 0.95, 20.99 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG1 VAL 105 + QG1 VAL 105 OK 100 100 - 100 QG1 VAL 112 + QG1 VAL 112 OK 64 64 - 100 QG1 VAL 57 + QG1 VAL 57 OK 61 61 - 100 Peak 3476 from aliabs.peaks (1.01, 0.95, 20.99 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 105 + QG1 VAL 105 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 118 - QG1 VAL 112 far 0 70 0 - 5.9-10.6 QG2 VAL 118 - QG1 VAL 105 far 0 100 0 - 6.0-11.0 QG2 VAL 105 - QG1 VAL 112 far 0 71 0 - 7.0-13.2 QD1 LEU 69 - QG1 VAL 105 far 0 100 0 - 8.4-14.5 QG2 VAL 118 - QG1 VAL 57 far 0 65 0 - 10.0-15.3 QD1 LEU 69 - QG1 VAL 57 far 0 67 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 3478 from aliabs.peaks (7.62, 1.01, 20.08 ppm; 6.09 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + QG2 VAL 105 OK 100 100 100 100 1.6-2.4 4.0=100 Violated in 0 structures by 0.00 A. Peak 3479 from aliabs.peaks (4.18, 1.01, 20.08 ppm; 2.99 A): 1 out of 2 assignments used, quality = 0.99: * HA VAL 105 + QG2 VAL 105 OK 99 100 100 99 3.1-3.2 3.2=82, 3473/2.1=60...(13) HB THR 25 - QG2 VAL 105 far 0 96 0 - 8.3-24.2 Violated in 20 structures by 0.16 A. Peak 3480 from aliabs.peaks (2.27, 1.01, 20.08 ppm; 2.69 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 105 + QG2 VAL 105 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 30 - QG2 VAL 105 far 0 100 0 - 6.5-22.5 HG2 GLU 97 - QG2 VAL 105 far 0 76 0 - 7.8-11.6 HB3 PRO 113 - QG2 VAL 105 far 0 99 0 - 8.0-16.0 Violated in 0 structures by 0.00 A. Peak 3481 from aliabs.peaks (0.95, 1.01, 20.08 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * QG1 VAL 105 + QG2 VAL 105 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 112 - QG2 VAL 105 far 0 57 0 - 5.7-13.7 QD1 LEU 119 - QG2 VAL 105 far 0 92 0 - 6.7-11.4 QG1 VAL 112 - QG2 VAL 105 far 0 96 0 - 7.0-13.2 QD2 LEU 53 - QG2 VAL 105 far 0 95 0 - 9.1-15.8 QG1 VAL 126 - QG2 VAL 105 far 0 100 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 3482 from aliabs.peaks (1.01, 1.01, 20.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 105 + QG2 VAL 105 OK 100 100 - 100 Peak 3485 from aliabs.peaks (4.46, 4.46, 58.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 106 + HA SER 106 OK 100 100 - 100 Peak 3486 from aliabs.peaks (3.97, 4.46, 58.66 ppm; 3.02 A): 2 out of 9 assignments used, quality = 1.00: * HB2 SER 106 + HA SER 106 OK 100 100 100 100 2.7-3.0 3.0=99, 4.5/7546=26...(12) HB3 SER 106 + HA SER 106 OK 94 95 100 100 2.7-3.0 3.0=99, 4.5/7546=26...(12) HA3 GLY 111 - HA SER 106 far 8 81 10 - 2.9-16.4 HA3 GLY 17 - HA SER 106 far 5 98 5 - 4.1-47.6 HB3 SER 107 - HA SER 106 far 0 99 0 - 4.6-6.6 HA2 GLY 17 - HA SER 106 far 0 92 0 - 4.8-49.3 HA LEU 100 - HA SER 106 far 0 100 0 - 7.1-11.2 HD3 PRO 117 - HA SER 106 far 0 93 0 - 7.5-15.7 HA VAL 20 - HA SER 106 far 0 73 0 - 8.5-43.5 Violated in 0 structures by 0.00 A. Peak 3487 from aliabs.peaks (3.98, 4.46, 58.66 ppm; 3.02 A): 2 out of 10 assignments used, quality = 1.00: * HB3 SER 106 + HA SER 106 OK 100 100 100 100 2.7-3.0 3.0=99, 4.5/7546=26...(11) HB2 SER 106 + HA SER 106 OK 94 95 100 100 2.7-3.0 3.0=99, 4.5/7546=26...(12) HA3 GLY 17 - HA SER 106 far 4 78 5 - 4.1-47.6 HB3 SER 107 - HA SER 106 far 0 83 0 - 4.6-6.6 HA2 GLY 17 - HA SER 106 far 0 63 0 - 4.8-49.3 HA GLN 68 - HA SER 106 far 0 76 0 - 6.4-19.5 HA LEU 100 - HA SER 106 far 0 92 0 - 7.1-11.2 HD3 PRO 117 - HA SER 106 far 0 65 0 - 7.5-15.7 HA VAL 20 - HA SER 106 far 0 97 0 - 8.5-43.5 HB3 SER 99 - HA SER 106 far 0 87 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 3490 from aliabs.peaks (4.46, 3.97, 63.90 ppm; 3.65 A): 2 out of 9 assignments used, quality = 1.00: * HA SER 106 + HB2 SER 106 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 106 + HB3 SER 106 OK 84 84 100 100 2.7-3.0 3.0=100 HA SER 106 - HB3 SER 107 far 11 75 15 - 4.6-6.6 HA ASP 64 - HB3 SER 107 far 7 72 10 - 3.5-13.3 HA PRO 58 - HB2 SER 106 far 0 100 0 - 7.0-19.4 HA ASP 64 - HB3 SER 106 far 0 81 0 - 7.7-17.0 HA PRO 58 - HB3 SER 106 far 0 83 0 - 8.0-19.4 HA ASP 64 - HB2 SER 106 far 0 99 0 - 8.3-16.9 HA ASN 121 - HB3 SER 107 far 0 40 0 - 9.1-21.4 Violated in 0 structures by 0.00 A. Peak 3491 from aliabs.peaks (3.97, 3.97, 63.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 SER 106 + HB2 SER 106 OK 100 100 - 100 HB3 SER 106 + HB3 SER 106 OK 75 75 - 100 HB3 SER 107 + HB3 SER 107 OK 72 72 - 100 Peak 3492 from aliabs.peaks (3.98, 3.97, 63.90 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 SER 106 + HB2 SER 106 OK 95 95 - 100 HB3 SER 106 + HB3 SER 106 OK 84 84 - 100 HB3 SER 107 + HB3 SER 107 OK 55 55 - 100 Reference assignment not found: HB3 SER 106 - HB2 SER 106 Peak 3495 from aliabs.peaks (4.46, 3.98, 63.90 ppm; 4.15 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 106 + HB3 SER 106 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 106 + HB2 SER 106 OK 84 84 100 100 2.7-3.0 3.0=100 HA PRO 58 - HB2 SER 106 far 0 83 0 - 7.0-19.4 HA ASP 64 - HB3 SER 106 far 0 99 0 - 7.7-17.0 HA PRO 58 - HB3 SER 106 far 0 100 0 - 8.0-19.4 HA ASP 64 - HB2 SER 106 far 0 81 0 - 8.3-16.9 Violated in 0 structures by 0.00 A. Peak 3496 from aliabs.peaks (3.97, 3.98, 63.90 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB3 SER 106 + HB3 SER 106 OK 95 95 - 100 HB2 SER 106 + HB2 SER 106 OK 84 84 - 100 Reference assignment not found: HB2 SER 106 - HB3 SER 106 Peak 3497 from aliabs.peaks (3.98, 3.98, 63.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 106 + HB3 SER 106 OK 100 100 - 100 HB2 SER 106 + HB2 SER 106 OK 75 75 - 100 Peak 3500 from aliabs.peaks (4.39, 4.39, 58.42 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA SER 107 + HA SER 107 OK 100 100 - 100 HA SER 9 + HA SER 9 OK 86 86 - 100 HA SER 33 + HA SER 33 OK 61 61 - 100 Peak 3501 from aliabs.peaks (3.92, 4.39, 58.42 ppm; 3.47 A): 2 out of 14 assignments used, quality = 1.00: * HB2 SER 107 + HA SER 107 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 33 + HA SER 33 OK 56 56 100 100 2.4-3.0 3.0=100 HB2 SER 60 - HA SER 107 far 5 97 5 - 4.8-15.8 HA3 GLY 75 - HA SER 33 far 4 37 10 - 4.3-18.4 HA3 GLY 75 - HA SER 9 far 3 58 5 - 3.3-45.9 HB3 SER 60 - HA SER 107 far 0 97 0 - 5.7-16.0 HA2 GLY 111 - HA SER 107 far 0 95 0 - 6.1-13.1 HD3 PRO 113 - HA SER 107 far 0 87 0 - 6.6-17.1 HA2 GLY 14 - HA SER 33 far 0 62 0 - 7.2-31.9 HA3 GLY 111 - HA SER 107 far 0 65 0 - 7.7-14.1 HA3 GLY 14 - HA SER 33 far 0 62 0 - 7.9-32.7 HA ALA 41 - HA SER 33 far 0 61 0 - 8.0-13.8 HA ALA 41 - HA SER 9 far 0 90 0 - 8.2-45.9 HB2 SER 51 - HA SER 9 far 0 60 0 - 8.8-50.3 Violated in 0 structures by 0.00 A. Peak 3502 from aliabs.peaks (3.96, 4.39, 58.42 ppm; 3.85 A): 3 out of 18 assignments used, quality = 1.00: * HB3 SER 107 + HA SER 107 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 SER 106 + HA SER 107 OK 45 99 50 90 3.9-6.1 ~7546=26, ~3488=26...(15) HB3 SER 106 + HA SER 107 OK 41 83 55 90 4.2-5.8 ~7546=26, ~3488=26...(14) HA LEU 100 - HA SER 107 lone 2 100 25 7 4.7-9.9 7463/3503=3...(3) HA2 GLY 111 - HA SER 107 far 0 63 0 - 6.1-13.1 HD3 PRO 117 - HA SER 107 far 0 99 0 - 6.6-16.7 HD3 PRO 113 - HA SER 107 far 0 76 0 - 6.6-17.1 HA THR 65 - HA SER 107 far 0 97 0 - 6.7-15.6 HA3 GLY 17 - HA SER 33 far 0 62 0 - 7.7-30.2 HA3 GLY 111 - HA SER 107 far 0 93 0 - 7.7-14.1 HA THR 65 - HA SER 33 far 0 56 0 - 7.7-17.1 HA2 GLY 17 - HA SER 9 far 0 87 0 - 7.8-21.9 HA3 GLY 17 - HA SER 107 far 0 100 0 - 7.9-44.4 HB3 SER 51 - HA SER 9 far 0 65 0 - 7.9-48.7 HA2 GLY 17 - HA SER 33 far 0 59 0 - 8.5-29.5 HA2 GLY 17 - HA SER 107 far 0 99 0 - 8.5-46.0 HB2 SER 51 - HA SER 9 far 0 75 0 - 8.8-50.3 HA3 GLY 17 - HA SER 9 far 0 90 0 - 9.5-22.8 Violated in 0 structures by 0.00 A. Peak 3505 from aliabs.peaks (4.39, 3.92, 63.62 ppm; 3.17 A): 2 out of 10 assignments used, quality = 1.00: * HA SER 107 + HB2 SER 107 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 33 + HB2 SER 33 OK 72 72 100 100 2.4-3.0 3.0=100 HA PRO 113 - HB2 SER 107 far 4 73 5 - 4.2-19.0 HA ASP 71 - HB2 SER 33 far 0 40 0 - 6.1-15.6 HA ASP 71 - HB2 SER 107 far 0 65 0 - 6.2-18.4 HA MET 11 - HB2 SER 107 far 0 68 0 - 6.4-54.0 HA CYS 73 - HB2 SER 33 far 0 65 0 - 7.9-17.4 HA PRO 117 - HB2 SER 107 far 0 71 0 - 8.4-20.5 HA ASP 78 - HB2 SER 33 far 0 71 0 - 9.5-24.8 HA THR 115 - HB2 SER 107 far 0 97 0 - 9.7-20.8 Violated in 0 structures by 0.00 A. Peak 3506 from aliabs.peaks (3.92, 3.92, 63.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 107 + HB2 SER 107 OK 100 100 - 100 HB2 SER 33 + HB2 SER 33 OK 66 66 - 100 Peak 3507 from aliabs.peaks (3.96, 3.92, 63.62 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HB3 SER 107 + HB2 SER 107 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 106 - HB2 SER 107 far 15 99 15 - 3.3-6.0 HB3 SER 106 - HB2 SER 107 far 8 83 10 - 3.8-6.0 HD3 PRO 113 - HB2 SER 107 far 4 76 5 - 4.0-19.0 HA2 GLY 111 - HB2 SER 107 far 3 63 5 - 3.9-14.9 HD3 PRO 117 - HB2 SER 107 far 0 99 0 - 4.8-18.4 HA LEU 100 - HB2 SER 107 far 0 100 0 - 5.4-12.4 HA3 GLY 111 - HB2 SER 107 far 0 93 0 - 5.7-15.6 HA3 GLY 17 - HB2 SER 33 far 0 72 0 - 6.1-29.2 HA2 GLY 17 - HB2 SER 33 far 0 69 0 - 6.7-28.5 HA3 GLY 17 - HB2 SER 107 far 0 100 0 - 7.1-44.8 HA THR 65 - HB2 SER 107 far 0 97 0 - 7.9-15.6 HA2 GLY 17 - HB2 SER 107 far 0 99 0 - 8.1-46.5 HA THR 65 - HB2 SER 33 far 0 66 0 - 9.3-18.1 Violated in 0 structures by 0.00 A. Peak 3510 from aliabs.peaks (4.39, 3.96, 63.62 ppm; 3.87 A): 2 out of 10 assignments used, quality = 1.00: * HA SER 107 + HB3 SER 107 OK 100 100 100 100 2.2-2.8 3.0=100 HA SER 107 + HB2 SER 106 OK 34 75 50 91 3.9-6.1 ~7546=26, ~3488=26...(15) HA PRO 113 - HB3 SER 107 far 4 73 5 - 3.9-18.6 HA ASP 71 - HB3 SER 107 far 3 65 5 - 4.8-18.4 HA MET 11 - HB3 SER 107 far 0 68 0 - 7.6-52.7 HA PRO 117 - HB3 SER 107 far 0 71 0 - 8.1-19.9 HA PRO 113 - HB2 SER 106 far 0 48 0 - 8.2-19.6 HA MET 11 - HB2 SER 106 far 0 44 0 - 8.5-57.3 HA ASP 71 - HB2 SER 106 far 0 42 0 - 9.3-19.0 HA THR 115 - HB3 SER 107 far 0 97 0 - 9.4-20.7 Violated in 0 structures by 0.00 A. Peak 3511 from aliabs.peaks (3.92, 3.96, 63.62 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HB2 SER 107 + HB3 SER 107 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 107 - HB2 SER 106 far 11 75 15 - 3.3-6.0 HA2 GLY 111 - HB2 SER 106 far 0 66 0 - 4.7-15.9 HD3 PRO 113 - HB3 SER 107 far 0 87 0 - 4.9-18.9 HA3 GLY 111 - HB2 SER 106 far 0 42 0 - 5.5-16.7 HA2 GLY 111 - HB3 SER 107 far 0 95 0 - 5.7-14.5 HA2 GLY 14 - HB2 SER 106 far 0 75 0 - 5.7-48.7 HB3 SER 60 - HB3 SER 107 far 0 97 0 - 6.1-16.3 HB3 SER 60 - HB2 SER 106 far 0 70 0 - 6.2-18.0 HB2 SER 60 - HB2 SER 106 far 0 70 0 - 6.4-17.4 HB2 SER 60 - HB3 SER 107 far 0 97 0 - 6.8-15.8 HA3 GLY 14 - HB2 SER 106 far 0 75 0 - 7.2-48.0 HA3 GLY 111 - HB3 SER 107 far 0 65 0 - 7.4-15.3 HD3 PRO 113 - HB2 SER 106 far 0 59 0 - 7.8-19.3 Violated in 0 structures by 0.00 A. Peak 3512 from aliabs.peaks (3.96, 3.96, 63.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 107 + HB3 SER 107 OK 100 100 - 100 HB2 SER 106 + HB2 SER 106 OK 72 72 - 100 Peak 3515 from aliabs.peaks (4.28, 4.28, 52.75 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 108 + HA ALA 108 OK 100 100 - 100 HA ALA 110 + HA ALA 110 OK 94 94 - 100 HA ALA 16 + HA ALA 16 OK 94 94 - 100 HA ALA 12 + HA ALA 12 OK 79 79 - 100 HA ALA 15 + HA ALA 15 OK 68 68 - 100 HA ALA 109 + HA ALA 109 OK 59 59 - 100 HA ALA 21 + HA ALA 21 OK 29 29 - 100 Peak 3516 from aliabs.peaks (1.38, 4.28, 52.75 ppm; 2.51 A): 7 out of 80 assignments used, quality = 1.00: * QB ALA 108 + HA ALA 108 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 96 96 100 100 2.1-2.1 2.1=100 QB ALA 16 + HA ALA 16 OK 87 87 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 68 68 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 62 62 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 56 56 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 23 94 55 44 3.7-4.3 6124/3.0=17, ~6122=7...(9) QB ALA 109 - HA ALA 110 poor 19 94 20 - 3.6-4.6 QB ALA 109 - HA ALA 108 poor 13 99 50 27 3.7-4.9 ~7564=5, ~7566=5...(7) QB ALA 12 - HA ALA 16 far 11 73 15 - 2.9-10.8 QB ALA 110 - HA ALA 109 poor 10 58 35 47 3.8-5.0 2.9/7570=15, ~7571=5...(17) QB ALA 16 - HA ALA 15 far 9 61 15 - 4.0-5.0 QB ALA 16 - HA ALA 12 far 7 75 10 - 2.2-11.1 QB ALA 108 - HA ALA 109 poor 7 59 45 25 3.6-4.9 7564/3.0=11, 2.9/7558=4...(6) HG2 LYS 19 - HA ALA 15 far 6 64 10 - 2.8-13.4 QB ALA 12 - HA ALA 15 far 5 49 10 - 3.5-8.6 QB ALA 108 - HA ALA 110 far 5 97 5 - 3.8-7.1 QB ALA 110 - HA ALA 16 far 5 93 5 - 3.9-45.0 QB ALA 16 - HA ALA 110 far 4 90 5 - 3.4-42.4 HG2 LYS 24 - HA ALA 21 far 4 38 10 - 2.3-10.7 QB ALA 108 - HA ALA 21 far 2 38 5 - 3.3-36.5 QB ALA 12 - HA ALA 21 far 1 27 5 - 3.5-16.2 QB ALA 28 - HA ALA 21 far 0 37 0 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 82 0 - 4.2-9.3 QB ALA 16 - HA ALA 21 far 0 34 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 100 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 38 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 90 0 - 4.7-10.8 HG3 LYS 31 - HA ALA 15 far 0 66 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 92 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 100 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 36 0 - 5.2-38.2 HG2 LYS 19 - HA ALA 12 far 0 78 0 - 5.5-18.1 QB ALA 29 - HA ALA 108 far 0 100 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 81 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 100 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 59 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 99 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 67 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 91 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 67 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 93 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 94 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 38 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 93 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 96 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 58 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 58 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 36 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 67 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 38 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 81 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 38 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 68 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 52 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 100 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 65 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 68 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 96 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 96 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 38 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 99 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 55 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 68 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 93 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 82 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 59 0 - 8.0-45.2 HG3 LYS 31 - HA ALA 21 far 0 37 0 - 8.3-20.2 QB ALA 29 - HA ALA 109 far 0 59 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 96 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 100 0 - 8.7-42.9 QB ALA 108 - HA ALA 16 far 0 94 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 97 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 76 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 98 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 37 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 99 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 96 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 68 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 94 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 3519 from aliabs.peaks (4.28, 1.38, 19.17 ppm; 2.66 A): 8 out of 116 assignments used, quality = 1.00: * HA ALA 108 + QB ALA 108 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 110 + QB ALA 110 OK 98 98 100 100 2.1-2.1 2.1=100 HA ALA 15 + QB ALA 15 OK 97 97 100 100 2.1-2.1 2.1=100 HA ALA 109 + QB ALA 109 OK 94 94 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 16 OK 86 86 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 15 OK 35 97 75 49 3.7-4.3 3.0/6124=19, ~6122=9...(11) HA ALA 110 + QB ALA 109 OK 30 92 60 54 3.6-4.6 3.0/7573=16, 3.6/7578=7...(16) HA ALA 109 + QB ALA 110 OK 26 100 50 51 3.8-5.0 7570/2.9=17, ~7571=6...(17) HA ALA 109 - QB ALA 108 poor 20 100 70 28 3.6-4.9 3.0/7564=13, 7558/2.9=4...(6) HA ALA 15 - QB ALA 16 poor 19 86 45 50 4.0-5.0 6125/2.9=17, ~6122=9...(14) HA ALA 108 - QB ALA 109 poor 18 94 65 30 3.7-4.9 ~7564=6, ~7566=6...(9) HA GLN 27 - QB ALA 28 poor 15 51 30 - 3.8-5.0 HA ALA 110 - QB ALA 108 far 15 99 15 - 3.8-7.1 HA ARG 23 - QB ALA 28 far 14 95 15 - 1.8-12.2 HA LYS 31 - QB ALA 15 far 14 95 15 - 1.9-22.8 HA THR 25 - QB ALA 28 far 13 87 15 - 3.4-8.5 HA GLN 61 - QB ALA 29 far 9 95 10 - 3.3-14.9 HB THR 115 - QB ALA 109 far 9 93 10 - 3.5-12.8 HA LYS 26 - QB ALA 28 far 9 92 10 - 3.8-7.4 HA ALA 12 - QB ALA 16 far 8 83 10 - 2.2-11.1 HA ALA 16 - QB ALA 110 far 5 100 5 - 3.9-45.0 HA LYS 26 - QB ALA 110 far 5 97 5 - 3.4-31.5 HA THR 18 - QB ALA 15 far 5 97 5 - 3.8-9.2 HA LYS 19 - QB ALA 15 far 5 96 5 - 3.6-11.2 HA LEU 22 - QB ALA 108 far 5 96 5 - 3.4-34.1 HA ARG 23 - QB ALA 109 far 5 94 5 - 2.2-33.4 HA LYS 26 - QB ALA 109 far 5 90 5 - 4.0-28.9 HA LEU 22 - QB ALA 28 far 4 88 5 - 2.0-15.4 HA ALA 21 - QB ALA 108 far 4 87 5 - 3.3-36.5 HA ALA 110 - QB ALA 16 far 4 83 5 - 3.4-42.4 HA ALA 21 - QB ALA 28 far 4 79 5 - 4.1-16.3 HA GLN 27 - QB ALA 29 far 2 50 5 - 4.1-7.7 HA THR 25 - QB ALA 29 far 0 86 0 - 4.2-10.8 HA ALA 12 - QB ALA 15 far 0 95 0 - 4.2-9.3 HA THR 18 - QB ALA 28 far 0 95 0 - 4.2-20.7 HA GLN 61 - QB ALA 108 far 0 100 0 - 4.2-16.5 HA ALA 21 - QB ALA 16 far 0 69 0 - 4.4-13.2 HA ALA 108 - QB ALA 28 far 0 95 0 - 4.4-24.8 HA GLN 27 - QB ALA 108 far 0 57 0 - 4.4-26.4 HA THR 18 - QB ALA 110 far 0 99 0 - 4.4-44.9 HB THR 115 - QB ALA 110 far 0 99 0 - 4.5-11.4 HA LYS 31 - QB ALA 16 far 0 83 0 - 4.5-22.4 HA GLN 61 - QB ALA 28 far 0 95 0 - 4.5-19.9 HA THR 18 - QB ALA 16 far 0 85 0 - 4.7-7.3 HA GLN 27 - QB ALA 110 far 0 56 0 - 4.7-30.1 HA LYS 26 - QB ALA 29 far 0 91 0 - 5.0-9.8 HA SER 74 - QB ALA 29 far 0 89 0 - 5.1-17.1 HA ALA 108 - QB ALA 110 far 0 100 0 - 5.2-7.7 HA ALA 21 - QB ALA 109 far 0 78 0 - 5.2-38.2 HA LYS 26 - QB ALA 108 far 0 98 0 - 5.2-27.3 HA ARG 23 - QB ALA 110 far 0 100 0 - 5.2-36.2 HA LYS 19 - QB ALA 28 far 0 94 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 93 0 - 5.5-7.8 HA ARG 23 - QB ALA 108 far 0 100 0 - 5.5-32.0 HA LYS 36 - QB ALA 29 far 0 92 0 - 5.6-13.8 HA LYS 26 - QB ALA 15 far 0 94 0 - 5.6-18.8 HA LYS 19 - QB ALA 16 far 0 84 0 - 5.7-9.7 HA ALA 108 - QB ALA 29 far 0 95 0 - 5.7-22.1 HA ALA 12 - QB ALA 28 far 0 92 0 - 5.7-22.6 HA THR 25 - QB ALA 109 far 0 86 0 - 5.8-29.6 HA ARG 23 - QB ALA 29 far 0 95 0 - 5.9-12.4 HA LEU 22 - QB ALA 109 far 0 87 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 92 0 - 6.1-7.3 HA ARG 23 - QB ALA 15 far 0 97 0 - 6.2-16.4 HA ALA 15 - QB ALA 28 far 0 95 0 - 6.2-22.3 HA ALA 16 - QB ALA 109 far 0 94 0 - 6.2-42.1 HA LYS 36 - QB ALA 16 far 0 83 0 - 6.4-29.0 HA ALA 16 - QB ALA 28 far 0 95 0 - 6.4-21.8 HA GLN 61 - QB ALA 109 far 0 94 0 - 6.4-17.7 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.5-19.5 HA ALA 21 - QB ALA 110 far 0 86 0 - 6.5-41.1 HA SER 74 - QB ALA 28 far 0 90 0 - 6.6-22.0 HA ALA 110 - QB ALA 15 far 0 95 0 - 6.6-46.6 HA ALA 109 - QB ALA 28 far 0 95 0 - 6.7-26.0 HA LYS 19 - QB ALA 110 far 0 99 0 - 6.8-43.3 HA THR 25 - QB ALA 108 far 0 95 0 - 6.8-27.8 HA LYS 26 - QB ALA 16 far 0 82 0 - 6.9-18.9 HA GLN 27 - QB ALA 109 far 0 50 0 - 6.9-28.3 HA LEU 22 - QB ALA 29 far 0 88 0 - 7.0-15.2 HA THR 18 - QB ALA 109 far 0 94 0 - 7.0-41.9 HA THR 25 - QB ALA 110 far 0 94 0 - 7.1-32.7 HA ALA 15 - QB ALA 110 far 0 100 0 - 7.1-47.6 HA ALA 21 - QB ALA 29 far 0 78 0 - 7.1-16.4 HA LEU 22 - QB ALA 110 far 0 95 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 91 0 - 7.3-14.9 HA ALA 21 - QB ALA 15 far 0 81 0 - 7.3-13.0 HB THR 115 - QB ALA 108 far 0 100 0 - 7.4-14.5 HA ALA 15 - QB ALA 29 far 0 95 0 - 7.4-22.4 HA ALA 109 - QB ALA 16 far 0 86 0 - 7.5-41.2 HA ALA 15 - QB ALA 109 far 0 94 0 - 7.5-44.5 HA LYS 31 - QB ALA 108 far 0 99 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 93 0 - 7.8-40.6 HA ALA 110 - QB ALA 28 far 0 93 0 - 7.8-26.6 HA ARG 23 - QB ALA 16 far 0 86 0 - 7.8-14.6 HA THR 25 - QB ALA 15 far 0 90 0 - 7.8-18.5 HA THR 25 - QB ALA 16 far 0 77 0 - 7.9-18.9 HA LYS 19 - QB ALA 29 far 0 93 0 - 8.0-19.1 HA LEU 22 - QB ALA 16 far 0 78 0 - 8.0-13.8 HA ALA 109 - QB ALA 15 far 0 97 0 - 8.0-45.2 HA GLN 61 - QB ALA 15 far 0 97 0 - 8.1-30.8 HA THR 18 - QB ALA 29 far 0 94 0 - 8.1-20.6 HB THR 115 - QB ALA 16 far 0 85 0 - 8.2-40.0 HA THR 18 - QB ALA 108 far 0 100 0 - 8.4-40.4 HA LYS 36 - QB ALA 28 far 0 93 0 - 8.4-17.1 HA LYS 19 - QB ALA 108 far 0 99 0 - 8.5-39.5 HA LYS 36 - QB ALA 15 far 0 95 0 - 8.6-28.8 HA ALA 109 - QB ALA 29 far 0 95 0 - 8.6-23.4 HA ALA 108 - QB ALA 16 far 0 86 0 - 8.7-39.9 HA ALA 108 - QB ALA 15 far 0 97 0 - 8.7-42.9 HB THR 115 - QB ALA 15 far 0 96 0 - 9.0-43.9 HA ALA 16 - QB ALA 108 far 0 100 0 - 9.1-40.0 HA ALA 110 - QB ALA 29 far 0 92 0 - 9.1-24.9 HA GLN 61 - QB ALA 16 far 0 86 0 - 9.1-27.3 HA LYS 31 - QB ALA 109 far 0 92 0 - 9.1-27.0 HA GLN 27 - QB ALA 15 far 0 53 0 - 9.4-19.7 HA ALA 15 - QB ALA 108 far 0 100 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 3520 from aliabs.peaks (1.38, 1.38, 19.17 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * QB ALA 108 + QB ALA 108 OK 100 100 - 100 QB ALA 110 + QB ALA 110 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 97 97 - 100 QB ALA 29 + QB ALA 29 OK 95 95 - 100 QB ALA 28 + QB ALA 28 OK 94 94 - 100 QB ALA 109 + QB ALA 109 OK 91 91 - 100 QB ALA 16 + QB ALA 16 OK 78 78 - 100 Peak 3523 from aliabs.peaks (4.28, 4.28, 52.35 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 109 + HA ALA 109 OK 100 100 - 100 HA ALA 15 + HA ALA 15 OK 100 100 - 100 HA ALA 16 + HA ALA 16 OK 90 90 - 100 HA ALA 12 + HA ALA 12 OK 84 84 - 100 HA ALA 110 + HA ALA 110 OK 60 60 - 100 HA ALA 108 + HA ALA 108 OK 59 59 - 100 HA ALA 21 + HA ALA 21 OK 50 50 - 100 Peak 3524 from aliabs.peaks (1.39, 4.28, 52.35 ppm; 2.50 A): 7 out of 84 assignments used, quality = 1.00: * QB ALA 109 + HA ALA 109 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 99 99 100 100 2.1-2.1 2.1=100 QB ALA 16 + HA ALA 16 OK 89 89 100 100 2.1-2.1 2.1=100 QB ALA 110 + HA ALA 110 OK 61 61 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 56 56 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 48 48 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 21 88 55 43 3.7-4.3 6124/3.0=16, ~6122=7...(8) QB ALA 110 - HA ALA 109 poor 16 100 35 47 3.8-5.0 2.9/7570=15, ~7571=5...(17) QB ALA 16 - HA ALA 15 far 15 99 15 - 4.0-5.0 QB ALA 109 - HA ALA 110 poor 12 62 20 - 3.6-4.6 QB ALA 108 - HA ALA 109 poor 11 99 45 25 3.6-4.9 7566/3.0=11, 2.9/7558=4...(6) HG2 LYS 19 - HA ALA 15 far 9 88 10 - 2.8-13.4 QB ALA 16 - HA ALA 12 far 9 86 10 - 2.2-11.1 QB ALA 109 - HA ALA 108 poor 8 59 50 27 3.7-4.9 ~7564=5, ~7566=5...(7) QB ALA 12 - HA ALA 16 far 8 51 15 - 2.9-10.8 QB ALA 12 - HA ALA 15 far 6 62 10 - 3.5-8.6 HG2 LYS 24 - HA ALA 21 far 6 59 10 - 2.3-10.7 QB ALA 110 - HA ALA 16 far 4 89 5 - 3.9-45.0 QB ALA 16 - HA ALA 110 far 3 62 5 - 3.4-42.4 QB ALA 108 - HA ALA 21 far 3 62 5 - 3.3-36.5 QB ALA 108 - HA ALA 110 far 3 59 5 - 3.8-7.1 QB ALA 12 - HA ALA 21 far 2 33 5 - 3.5-16.2 QB ALA 34 - HA ALA 16 far 0 53 0 - 4.1-26.6 QB ALA 28 - HA ALA 21 far 0 64 0 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 85 0 - 4.2-9.3 QB ALA 16 - HA ALA 21 far 0 64 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 58 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 62 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 75 0 - 4.7-10.8 HG3 LYS 31 - HA ALA 15 far 0 100 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 58 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 65 0 - 5.2-38.2 HG2 LYS 19 - HA ALA 12 far 0 72 0 - 5.5-18.1 QB ALA 29 - HA ALA 108 far 0 55 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 86 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 53 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 99 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 50 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 100 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 90 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 96 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 90 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 88 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 63 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 49 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 61 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 100 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 97 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 51 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 99 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 61 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 87 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 63 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 97 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 100 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 57 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 100 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 99 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 61 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 62 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 63 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 59 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 89 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 98 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 84 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 80 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 99 0 - 8.0-45.2 QB ALA 34 - HA ALA 15 far 0 64 0 - 8.2-28.1 HG3 LYS 31 - HA ALA 21 far 0 64 0 - 8.3-20.2 QB ALA 34 - HA ALA 21 far 0 35 0 - 8.6-24.2 QB ALA 29 - HA ALA 109 far 0 98 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 58 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 57 0 - 8.7-42.9 QB ALA 34 - HA ALA 12 far 0 51 0 - 9.0-30.3 QB ALA 108 - HA ALA 16 far 0 87 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 59 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 32 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 46 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 55 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 59 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 57 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 98 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 88 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 3527 from aliabs.peaks (4.28, 1.39, 19.10 ppm; 2.50 A): 6 out of 116 assignments used, quality = 1.00: * HA ALA 109 + QB ALA 109 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 16 OK 99 99 100 100 2.1-2.1 2.1=100 HA ALA 15 + QB ALA 15 OK 97 97 100 100 2.1-2.1 2.1=100 HA ALA 110 + QB ALA 110 OK 96 96 100 100 2.1-2.1 2.1=100 HA ALA 108 + QB ALA 108 OK 94 94 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 15 OK 23 97 55 43 3.7-4.3 3.0/6124=16, ~6122=7...(8) HA ALA 110 - QB ALA 109 poor 20 99 20 - 3.6-4.6 HA ALA 109 - QB ALA 110 poor 15 98 35 45 3.8-5.0 7570/2.9=15, ~7571=5...(15) HA ARG 23 - QB ALA 28 far 15 99 15 - 1.8-12.2 HA ALA 15 - QB ALA 16 far 15 99 15 - 4.0-5.0 HA LYS 31 - QB ALA 15 far 14 95 15 - 1.9-22.8 HA THR 25 - QB ALA 28 far 14 93 15 - 3.4-8.5 HA ALA 108 - QB ALA 109 poor 13 100 50 26 3.7-4.9 ~7564=5, ~7566=5...(7) HA ALA 109 - QB ALA 108 poor 10 94 45 25 3.6-4.9 3.0/7566=11, 7558/2.9=4...(6) HB THR 115 - QB ALA 109 far 10 100 10 - 3.5-12.8 HA ALA 12 - QB ALA 16 far 10 97 10 - 2.2-11.1 HA LYS 26 - QB ALA 28 far 10 97 10 - 3.8-7.4 HA GLN 61 - QB ALA 29 far 9 91 10 - 3.3-14.9 HA GLN 27 - QB ALA 28 far 6 55 10 - 3.8-5.0 HA ARG 23 - QB ALA 109 far 5 100 5 - 2.2-33.4 HA ALA 16 - QB ALA 110 far 5 98 5 - 3.9-45.0 HA ALA 110 - QB ALA 16 far 5 98 5 - 3.4-42.4 HA THR 18 - QB ALA 15 far 5 97 5 - 3.8-9.2 HA LYS 19 - QB ALA 15 far 5 96 5 - 3.6-11.2 HA LYS 26 - QB ALA 110 far 5 95 5 - 3.4-31.5 HA LEU 22 - QB ALA 28 far 5 94 5 - 2.0-15.4 HA ALA 110 - QB ALA 108 far 5 92 5 - 3.8-7.1 HA LEU 22 - QB ALA 108 far 4 87 5 - 3.4-34.1 HA ALA 21 - QB ALA 108 far 4 78 5 - 3.3-36.5 HA LYS 26 - QB ALA 109 far 0 98 0 - 4.0-28.9 HA ALA 21 - QB ALA 28 far 0 85 0 - 4.1-16.3 HA GLN 27 - QB ALA 29 far 0 47 0 - 4.1-7.7 HA THR 25 - QB ALA 29 far 0 82 0 - 4.2-10.8 HA ALA 12 - QB ALA 15 far 0 95 0 - 4.2-9.3 HA THR 18 - QB ALA 28 far 0 99 0 - 4.2-20.7 HA GLN 61 - QB ALA 108 far 0 94 0 - 4.2-16.5 HA ALA 21 - QB ALA 16 far 0 85 0 - 4.4-13.2 HA ALA 108 - QB ALA 28 far 0 99 0 - 4.4-24.8 HA GLN 27 - QB ALA 108 far 0 50 0 - 4.4-26.4 HA THR 18 - QB ALA 110 far 0 98 0 - 4.4-44.9 HB THR 115 - QB ALA 110 far 0 97 0 - 4.5-11.4 HA LYS 31 - QB ALA 16 far 0 98 0 - 4.5-22.4 HA GLN 61 - QB ALA 28 far 0 99 0 - 4.5-19.9 HA THR 18 - QB ALA 16 far 0 99 0 - 4.7-7.3 HA GLN 27 - QB ALA 110 far 0 54 0 - 4.7-30.1 HA LYS 26 - QB ALA 29 far 0 87 0 - 5.0-9.8 HA SER 74 - QB ALA 29 far 0 85 0 - 5.1-17.1 HA ALA 108 - QB ALA 110 far 0 98 0 - 5.2-7.7 HA ALA 21 - QB ALA 109 far 0 87 0 - 5.2-38.2 HA LYS 26 - QB ALA 108 far 0 90 0 - 5.2-27.3 HA ARG 23 - QB ALA 110 far 0 98 0 - 5.2-36.2 HA LYS 19 - QB ALA 28 far 0 98 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 98 0 - 5.5-7.8 HA ARG 23 - QB ALA 108 far 0 94 0 - 5.5-32.0 HA LYS 36 - QB ALA 29 far 0 89 0 - 5.6-13.8 HA LYS 26 - QB ALA 15 far 0 94 0 - 5.6-18.8 HA LYS 19 - QB ALA 16 far 0 98 0 - 5.7-9.7 HA ALA 108 - QB ALA 29 far 0 91 0 - 5.7-22.1 HA ALA 12 - QB ALA 28 far 0 97 0 - 5.7-22.6 HA THR 25 - QB ALA 109 far 0 95 0 - 5.8-29.6 HA ARG 23 - QB ALA 29 far 0 91 0 - 5.9-12.4 HA LEU 22 - QB ALA 109 far 0 96 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 89 0 - 6.1-7.3 HA ARG 23 - QB ALA 15 far 0 97 0 - 6.2-16.4 HA ALA 15 - QB ALA 28 far 0 99 0 - 6.2-22.3 HA ALA 16 - QB ALA 109 far 0 100 0 - 6.2-42.1 HA LYS 36 - QB ALA 16 far 0 98 0 - 6.4-29.0 HA ALA 16 - QB ALA 28 far 0 99 0 - 6.4-21.8 HA GLN 61 - QB ALA 109 far 0 100 0 - 6.4-17.7 HA GLN 61 - QB ALA 110 far 0 98 0 - 6.5-19.5 HA ALA 21 - QB ALA 110 far 0 83 0 - 6.5-41.1 HA SER 74 - QB ALA 28 far 0 95 0 - 6.6-22.0 HA ALA 110 - QB ALA 15 far 0 95 0 - 6.6-46.6 HA ALA 109 - QB ALA 28 far 0 99 0 - 6.7-26.0 HA LYS 19 - QB ALA 110 far 0 97 0 - 6.8-43.3 HA THR 25 - QB ALA 108 far 0 86 0 - 6.8-27.8 HA LYS 26 - QB ALA 16 far 0 97 0 - 6.9-18.9 HA GLN 27 - QB ALA 109 far 0 57 0 - 6.9-28.3 HA LEU 22 - QB ALA 29 far 0 84 0 - 7.0-15.2 HA THR 18 - QB ALA 109 far 0 100 0 - 7.0-41.9 HA THR 25 - QB ALA 110 far 0 91 0 - 7.1-32.7 HA ALA 15 - QB ALA 110 far 0 98 0 - 7.1-47.6 HA ALA 21 - QB ALA 29 far 0 74 0 - 7.1-16.4 HA LEU 22 - QB ALA 110 far 0 92 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 91 0 - 7.3-14.9 HA ALA 21 - QB ALA 15 far 0 82 0 - 7.3-13.0 HB THR 115 - QB ALA 108 far 0 93 0 - 7.4-14.5 HA ALA 15 - QB ALA 29 far 0 91 0 - 7.4-22.4 HA ALA 109 - QB ALA 16 far 0 99 0 - 7.5-41.2 HA ALA 15 - QB ALA 109 far 0 100 0 - 7.5-44.5 HA LYS 31 - QB ALA 108 far 0 92 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 99 0 - 7.8-40.6 HA ALA 110 - QB ALA 28 far 0 98 0 - 7.8-26.6 HA ARG 23 - QB ALA 16 far 0 99 0 - 7.8-14.6 HA THR 25 - QB ALA 15 far 0 90 0 - 7.8-18.5 HA THR 25 - QB ALA 16 far 0 93 0 - 7.9-18.9 HA LYS 19 - QB ALA 29 far 0 89 0 - 8.0-19.1 HA LEU 22 - QB ALA 16 far 0 94 0 - 8.0-13.8 HA ALA 109 - QB ALA 15 far 0 97 0 - 8.0-45.2 HA GLN 61 - QB ALA 15 far 0 97 0 - 8.1-30.8 HA THR 18 - QB ALA 29 far 0 90 0 - 8.1-20.6 HB THR 115 - QB ALA 16 far 0 99 0 - 8.2-40.0 HA THR 18 - QB ALA 108 far 0 94 0 - 8.4-40.4 HA LYS 36 - QB ALA 28 far 0 98 0 - 8.4-17.1 HA LYS 19 - QB ALA 108 far 0 93 0 - 8.5-39.5 HA LYS 36 - QB ALA 15 far 0 95 0 - 8.6-28.8 HA ALA 109 - QB ALA 29 far 0 91 0 - 8.6-23.4 HA ALA 108 - QB ALA 16 far 0 99 0 - 8.7-39.9 HA ALA 108 - QB ALA 15 far 0 97 0 - 8.7-42.9 HB THR 115 - QB ALA 15 far 0 96 0 - 9.0-43.9 HA ALA 16 - QB ALA 108 far 0 94 0 - 9.1-40.0 HA ALA 110 - QB ALA 29 far 0 89 0 - 9.1-24.9 HA GLN 61 - QB ALA 16 far 0 99 0 - 9.1-27.3 HA LYS 31 - QB ALA 109 far 0 99 0 - 9.1-27.0 HA GLN 27 - QB ALA 15 far 0 53 0 - 9.4-19.7 HA ALA 15 - QB ALA 108 far 0 94 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 3528 from aliabs.peaks (1.39, 1.39, 19.10 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * QB ALA 109 + QB ALA 109 OK 100 100 - 100 QB ALA 28 + QB ALA 28 OK 99 99 - 100 QB ALA 16 + QB ALA 16 OK 99 99 - 100 QB ALA 110 + QB ALA 110 OK 97 97 - 100 QB ALA 15 + QB ALA 15 OK 96 96 - 100 QB ALA 108 + QB ALA 108 OK 91 91 - 100 QB ALA 29 + QB ALA 29 OK 87 87 - 100 Peak 3530 from aliabs.peaks (8.31, 4.28, 52.70 ppm; 6.80 A): 3 out of 22 assignments used, quality = 1.00: * H ALA 110 + HA ALA 110 OK 100 100 100 100 2.3-2.9 3.0=100 H ALA 21 + HA ALA 21 OK 63 63 100 100 2.3-2.9 3.0=100 H ALA 110 + HA ALA 109 OK 62 62 100 100 2.1-3.6 3.6=100 H SER 99 - HA ALA 108 poor 17 67 25 - 7.0-18.0 H ALA 110 - HA ALA 108 lone 17 97 100 17 4.3-7.0 3529/2.1=8, 3.7/3527=4...(5) H ALA 21 - HA ALA 15 far 11 73 15 - 5.5-12.4 H ALA 21 - HA ALA 110 far 10 100 10 - 5.7-49.8 H ALA 110 - HA ALA 16 far 9 91 10 - 6.1-52.5 H ALA 21 - HA ALA 16 lone 6 90 40 17 6.4-12.5 4.3/11966=9, 3529/2.1=2 H ALA 21 - HA ALA 108 far 5 96 5 - 4.8-46.4 H ALA 21 - HA ALA 12 far 5 94 5 - 6.9-17.4 H SER 99 - HA ALA 110 far 4 73 5 - 7.4-22.6 H ALA 110 - HA ALA 21 far 3 64 5 - 6.1-47.9 H ALA 21 - HA ALA 109 far 3 62 5 - 6.6-48.5 H LEU 69 - HA ALA 21 far 3 51 5 - 7.5-26.2 H GLU 40 - HA ALA 21 far 2 33 5 - 5.7-35.3 H LEU 49 - HA ALA 21 far 0 53 0 - 8.5-29.5 H LEU 69 - HA ALA 108 far 0 82 0 - 8.8-19.6 H SER 99 - HA ALA 21 far 0 40 0 - 8.9-38.3 H SER 99 - HA ALA 109 far 0 39 0 - 9.0-18.7 H ALA 110 - HA ALA 15 far 0 74 0 - 9.6-55.6 H GLU 44 - HA ALA 16 far 0 76 0 - 9.8-35.2 Violated in 0 structures by 0.00 A. Peak 3531 from aliabs.peaks (4.28, 4.28, 52.70 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HA ALA 110 + HA ALA 110 OK 100 100 - 100 HA ALA 12 + HA ALA 12 OK 95 95 - 100 HA ALA 108 + HA ALA 108 OK 94 94 - 100 HA ALA 16 + HA ALA 16 OK 88 88 - 100 HA ALA 15 + HA ALA 15 OK 73 73 - 100 HA ALA 109 + HA ALA 109 OK 60 60 - 100 HA ALA 21 + HA ALA 21 OK 58 58 - 100 Peak 3532 from aliabs.peaks (1.38, 4.28, 52.70 ppm; 2.51 A): 7 out of 80 assignments used, quality = 1.00: * QB ALA 110 + HA ALA 110 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 108 + HA ALA 108 OK 96 96 100 100 2.1-2.1 2.1=100 QB ALA 16 + HA ALA 16 OK 87 87 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 15 OK 74 74 100 100 2.1-2.1 2.1=100 QB ALA 12 + HA ALA 12 OK 67 67 100 100 2.1-2.1 2.1=100 QB ALA 109 + HA ALA 109 OK 61 61 100 100 2.1-2.1 2.1=100 QB ALA 15 + HA ALA 16 OK 22 91 55 44 3.7-4.3 6124/3.0=17, ~6122=7...(9) QB ALA 109 - HA ALA 110 poor 20 100 20 - 3.6-4.6 QB ALA 109 - HA ALA 108 poor 13 96 50 27 3.7-4.9 ~7564=5, ~7566=5...(7) QB ALA 16 - HA ALA 15 far 10 70 15 - 4.0-5.0 QB ALA 110 - HA ALA 109 poor 10 62 35 47 3.8-5.0 2.9/7572=15, ~7571=5...(17) QB ALA 12 - HA ALA 16 far 9 63 15 - 2.9-10.8 QB ALA 16 - HA ALA 12 far 9 91 10 - 2.2-11.1 QB ALA 108 - HA ALA 109 poor 7 62 45 25 3.6-4.9 7564/3.0=11, 2.9/7558=4...(6) HG2 LYS 19 - HA ALA 15 far 7 66 10 - 2.8-13.4 HG2 LYS 24 - HA ALA 21 far 6 62 10 - 2.3-10.7 QB ALA 108 - HA ALA 110 far 5 100 5 - 3.8-7.1 QB ALA 16 - HA ALA 110 far 5 98 5 - 3.4-42.4 QB ALA 12 - HA ALA 15 far 5 49 10 - 3.5-8.6 QB ALA 110 - HA ALA 16 far 5 91 5 - 3.9-45.0 QB ALA 108 - HA ALA 21 far 3 63 5 - 3.3-36.5 QB ALA 12 - HA ALA 21 far 2 41 5 - 3.5-16.2 QB ALA 28 - HA ALA 21 far 0 64 0 - 4.1-16.3 QB ALA 15 - HA ALA 12 far 0 95 0 - 4.2-9.3 QB ALA 16 - HA ALA 21 far 0 60 0 - 4.4-13.2 QB ALA 28 - HA ALA 108 far 0 96 0 - 4.4-24.8 HG2 LYS 36 - HA ALA 21 far 0 64 0 - 4.7-28.9 HG2 LYS 19 - HA ALA 16 far 0 83 0 - 4.7-10.8 HG3 LYS 31 - HA ALA 15 far 0 73 0 - 5.0-26.0 HG3 LYS 31 - HA ALA 16 far 0 90 0 - 5.0-27.2 QB ALA 110 - HA ALA 108 far 0 97 0 - 5.2-7.7 QB ALA 109 - HA ALA 21 far 0 63 0 - 5.2-38.2 HG2 LYS 19 - HA ALA 12 far 0 88 0 - 5.5-18.1 QB ALA 29 - HA ALA 108 far 0 96 0 - 5.7-22.1 QB ALA 28 - HA ALA 12 far 0 95 0 - 5.7-22.6 HG2 LYS 24 - HA ALA 108 far 0 95 0 - 5.9-39.9 HG3 LYS 26 - HA ALA 109 far 0 62 0 - 6.0-34.4 HB3 LEU 100 - HA ALA 108 far 0 93 0 - 6.1-14.3 QB ALA 28 - HA ALA 15 far 0 74 0 - 6.2-22.3 QB ALA 109 - HA ALA 16 far 0 90 0 - 6.2-42.1 HG2 LYS 24 - HA ALA 15 far 0 72 0 - 6.3-22.5 QB ALA 28 - HA ALA 16 far 0 91 0 - 6.4-21.8 HG2 LYS 36 - HA ALA 16 far 0 91 0 - 6.5-33.7 QB ALA 110 - HA ALA 21 far 0 64 0 - 6.5-41.1 HG2 LYS 19 - HA ALA 110 far 0 96 0 - 6.6-54.1 QB ALA 15 - HA ALA 110 far 0 100 0 - 6.6-46.6 QB ALA 28 - HA ALA 109 far 0 62 0 - 6.7-26.0 HG2 LYS 24 - HA ALA 109 far 0 61 0 - 7.0-42.1 HG2 LYS 19 - HA ALA 21 far 0 57 0 - 7.0-10.1 QB ALA 110 - HA ALA 15 far 0 74 0 - 7.1-47.6 QB ALA 29 - HA ALA 21 far 0 63 0 - 7.1-16.4 HG3 LYS 31 - HA ALA 12 far 0 94 0 - 7.2-27.9 QB ALA 15 - HA ALA 21 far 0 64 0 - 7.3-13.0 QB ALA 29 - HA ALA 15 far 0 73 0 - 7.4-22.4 QB ALA 16 - HA ALA 109 far 0 59 0 - 7.5-41.2 HG3 LYS 26 - HA ALA 108 far 0 97 0 - 7.5-32.5 QB ALA 109 - HA ALA 15 far 0 73 0 - 7.5-44.5 HG3 LYS 26 - HA ALA 15 far 0 74 0 - 7.7-25.9 HG3 LYS 26 - HA ALA 110 far 0 100 0 - 7.7-35.7 QB ALA 28 - HA ALA 110 far 0 100 0 - 7.8-26.6 HG3 LYS 26 - HA ALA 21 far 0 64 0 - 7.8-15.9 HG3 LYS 31 - HA ALA 108 far 0 96 0 - 7.9-31.1 HG2 LYS 19 - HA ALA 109 far 0 56 0 - 7.9-53.1 HG2 LYS 36 - HA ALA 15 far 0 74 0 - 8.0-30.5 HG2 LYS 24 - HA ALA 16 far 0 89 0 - 8.0-20.4 HG2 LYS 24 - HA ALA 12 far 0 93 0 - 8.0-22.3 QB ALA 15 - HA ALA 109 far 0 62 0 - 8.0-45.2 HG3 LYS 31 - HA ALA 21 far 0 63 0 - 8.3-20.2 QB ALA 29 - HA ALA 109 far 0 62 0 - 8.6-23.4 QB ALA 16 - HA ALA 108 far 0 93 0 - 8.7-39.9 QB ALA 15 - HA ALA 108 far 0 97 0 - 8.7-42.9 QB ALA 108 - HA ALA 16 far 0 90 0 - 9.1-40.0 QB ALA 29 - HA ALA 110 far 0 100 0 - 9.1-24.9 QB ALA 12 - HA ALA 110 far 0 76 0 - 9.1-47.9 HG2 LYS 19 - HA ALA 108 far 0 90 0 - 9.6-51.1 HB2 LEU 42 - HA ALA 21 far 0 60 0 - 9.7-31.2 HG3 LYS 95 - HA ALA 108 far 0 96 0 - 9.7-24.3 HG2 LYS 24 - HA ALA 110 far 0 99 0 - 9.8-43.7 QB ALA 108 - HA ALA 15 far 0 73 0 - 10.0-42.6 HG3 LYS 26 - HA ALA 16 far 0 91 0 - 10.0-25.0 Violated in 0 structures by 0.00 A. Peak 3535 from aliabs.peaks (4.28, 1.38, 19.16 ppm; 2.66 A): 9 out of 113 assignments used, quality = 1.00: * HA ALA 110 + QB ALA 110 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 108 + QB ALA 108 OK 98 98 100 100 2.1-2.1 2.1=100 HA ALA 15 + QB ALA 15 OK 97 97 100 100 2.1-2.1 2.1=100 HA ALA 109 + QB ALA 109 OK 96 96 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 16 OK 90 90 100 100 2.1-2.1 2.1=100 HA ALA 16 + QB ALA 15 OK 35 95 75 49 3.7-4.3 3.0/6124=19, ~6122=9...(11) HA ALA 110 + QB ALA 109 OK 32 98 60 54 3.6-4.6 3.0/7571=16, 3.6/7578=7...(16) HA ALA 109 + QB ALA 110 OK 26 99 50 52 3.8-5.0 7570/2.9=17, ~7571=6...(17) HA ALA 15 + QB ALA 16 OK 21 92 45 50 4.0-5.0 6125/2.9=16, ~6122=9...(14) HA ALA 109 - QB ALA 108 poor 19 98 70 28 3.6-4.9 3.0/7566=13, 7558/2.9=4...(6) HA ALA 108 - QB ALA 109 poor 19 96 65 30 3.7-4.9 ~7564=6, ~7566=6...(9) HA ALA 110 - QB ALA 108 far 15 100 15 - 3.8-7.1 HA ARG 23 - QB ALA 28 far 14 96 15 - 1.8-12.2 HA THR 25 - QB ALA 28 far 14 96 15 - 3.4-8.5 HA LYS 31 - QB ALA 15 far 13 89 15 - 1.9-22.8 HA ALA 12 - QB ALA 16 far 9 93 10 - 2.2-11.1 HA GLN 61 - QB ALA 29 far 9 93 10 - 3.3-14.9 HB THR 115 - QB ALA 109 far 9 92 10 - 3.5-12.8 HA LYS 26 - QB ALA 28 far 9 86 10 - 3.8-7.4 HA ALA 16 - QB ALA 110 far 5 99 5 - 3.9-45.0 HA THR 18 - QB ALA 15 far 5 98 5 - 3.8-9.2 HA ARG 23 - QB ALA 109 far 5 97 5 - 2.2-33.4 HA ALA 21 - QB ALA 108 far 5 96 5 - 3.3-36.5 HA ALA 110 - QB ALA 16 far 5 93 5 - 3.4-42.4 HA ALA 21 - QB ALA 28 far 5 93 5 - 4.1-16.3 HA LYS 19 - QB ALA 15 far 5 90 5 - 3.6-11.2 HA LYS 26 - QB ALA 110 far 5 90 5 - 3.4-31.5 HA LYS 26 - QB ALA 109 far 4 86 5 - 4.0-28.9 HA LEU 22 - QB ALA 108 far 4 84 5 - 3.4-34.1 HA LEU 22 - QB ALA 28 far 4 80 5 - 2.0-15.4 HA THR 25 - QB ALA 29 far 0 92 0 - 4.2-10.8 HA ALA 12 - QB ALA 15 far 0 98 0 - 4.2-9.3 HA THR 18 - QB ALA 28 far 0 97 0 - 4.2-20.7 HA GLN 61 - QB ALA 108 far 0 99 0 - 4.2-16.5 HA ALA 21 - QB ALA 16 far 0 87 0 - 4.4-13.2 HA ALA 108 - QB ALA 28 far 0 96 0 - 4.4-24.8 HA THR 18 - QB ALA 110 far 0 100 0 - 4.4-44.9 HB THR 115 - QB ALA 110 far 0 96 0 - 4.5-11.4 HA LYS 31 - QB ALA 16 far 0 83 0 - 4.5-22.4 HA GLN 61 - QB ALA 28 far 0 97 0 - 4.5-19.9 HA THR 18 - QB ALA 16 far 0 93 0 - 4.7-7.3 HA LYS 26 - QB ALA 29 far 0 81 0 - 5.0-9.8 HA SER 74 - QB ALA 29 far 0 93 0 - 5.1-17.1 HA ALA 108 - QB ALA 110 far 0 99 0 - 5.2-7.7 HA ALA 21 - QB ALA 109 far 0 93 0 - 5.2-38.2 HA LYS 26 - QB ALA 108 far 0 89 0 - 5.2-27.3 HA ARG 23 - QB ALA 110 far 0 99 0 - 5.2-36.2 HA LYS 19 - QB ALA 28 far 0 90 0 - 5.3-19.3 HA LYS 31 - QB ALA 28 far 0 89 0 - 5.5-7.8 HA ARG 23 - QB ALA 108 far 0 99 0 - 5.5-32.0 HA LYS 36 - QB ALA 29 far 0 94 0 - 5.6-13.8 HA LYS 26 - QB ALA 15 far 0 86 0 - 5.6-18.8 HA LYS 19 - QB ALA 16 far 0 85 0 - 5.7-9.7 HA ALA 108 - QB ALA 29 far 0 92 0 - 5.7-22.1 HA ALA 12 - QB ALA 28 far 0 98 0 - 5.7-22.6 HA THR 25 - QB ALA 109 far 0 97 0 - 5.8-29.6 HA ARG 23 - QB ALA 29 far 0 92 0 - 5.9-12.4 HA LEU 22 - QB ALA 109 far 0 81 0 - 6.0-35.8 HA LYS 31 - QB ALA 29 far 0 84 0 - 6.1-7.3 HA ARG 23 - QB ALA 15 far 0 97 0 - 6.2-16.4 HA ALA 15 - QB ALA 28 far 0 97 0 - 6.2-22.3 HA ALA 16 - QB ALA 109 far 0 96 0 - 6.2-42.1 HA LYS 36 - QB ALA 16 far 0 93 0 - 6.4-29.0 HA ALA 16 - QB ALA 28 far 0 95 0 - 6.4-21.8 HA GLN 61 - QB ALA 109 far 0 97 0 - 6.4-17.7 HA GLN 61 - QB ALA 110 far 0 100 0 - 6.5-19.5 HA ALA 21 - QB ALA 110 far 0 97 0 - 6.5-41.1 HA SER 74 - QB ALA 28 far 0 97 0 - 6.6-22.0 HA ALA 110 - QB ALA 15 far 0 98 0 - 6.6-46.6 HA ALA 109 - QB ALA 28 far 0 96 0 - 6.7-26.0 HA LYS 19 - QB ALA 110 far 0 95 0 - 6.8-43.3 HA THR 25 - QB ALA 108 far 0 99 0 - 6.8-27.8 HA LYS 26 - QB ALA 16 far 0 80 0 - 6.9-18.9 HA LEU 22 - QB ALA 29 far 0 75 0 - 7.0-15.2 HA THR 18 - QB ALA 109 far 0 98 0 - 7.0-41.9 HA THR 25 - QB ALA 110 far 0 99 0 - 7.1-32.7 HA ALA 15 - QB ALA 110 far 0 100 0 - 7.1-47.6 HA ALA 21 - QB ALA 29 far 0 88 0 - 7.1-16.4 HA LEU 22 - QB ALA 110 far 0 85 0 - 7.2-38.4 HA LEU 22 - QB ALA 15 far 0 80 0 - 7.3-14.9 HA TYR 76 - QB ALA 16 far 0 66 0 - 7.3-33.3 HA ALA 21 - QB ALA 15 far 0 93 0 - 7.3-13.0 HB THR 115 - QB ALA 108 far 0 95 0 - 7.4-14.5 HA ALA 15 - QB ALA 29 far 0 93 0 - 7.4-22.4 HA ALA 109 - QB ALA 16 far 0 91 0 - 7.5-41.2 HA ALA 15 - QB ALA 109 far 0 97 0 - 7.5-44.5 HA LYS 31 - QB ALA 108 far 0 92 0 - 7.7-25.8 HA LYS 19 - QB ALA 109 far 0 91 0 - 7.8-40.6 HA ALA 110 - QB ALA 28 far 0 98 0 - 7.8-26.6 HA ARG 23 - QB ALA 16 far 0 92 0 - 7.8-14.6 HA THR 25 - QB ALA 15 far 0 97 0 - 7.8-18.5 HA THR 25 - QB ALA 16 far 0 92 0 - 7.9-18.9 HA LYS 19 - QB ALA 29 far 0 85 0 - 8.0-19.1 HA LEU 22 - QB ALA 16 far 0 75 0 - 8.0-13.8 HA ALA 109 - QB ALA 15 far 0 96 0 - 8.0-45.2 HA GLN 61 - QB ALA 15 far 0 97 0 - 8.1-30.8 HA THR 18 - QB ALA 29 far 0 93 0 - 8.1-20.6 HB THR 115 - QB ALA 16 far 0 86 0 - 8.2-40.0 HA THR 18 - QB ALA 108 far 0 100 0 - 8.4-40.4 HA LYS 36 - QB ALA 28 far 0 98 0 - 8.4-17.1 HA LYS 19 - QB ALA 108 far 0 94 0 - 8.5-39.5 HA LYS 36 - QB ALA 15 far 0 98 0 - 8.6-28.8 HA ALA 109 - QB ALA 29 far 0 92 0 - 8.6-23.4 HA ALA 108 - QB ALA 16 far 0 91 0 - 8.7-39.9 HA ALA 108 - QB ALA 15 far 0 96 0 - 8.7-42.9 HB THR 115 - QB ALA 15 far 0 92 0 - 9.0-43.9 HA ALA 16 - QB ALA 108 far 0 98 0 - 9.1-40.0 HA ALA 110 - QB ALA 29 far 0 94 0 - 9.1-24.9 HA GLN 61 - QB ALA 16 far 0 92 0 - 9.1-27.3 HA LYS 31 - QB ALA 109 far 0 89 0 - 9.1-27.0 HA TYR 76 - QB ALA 29 far 0 66 0 - 9.5-18.4 HA TYR 76 - QB ALA 15 far 0 71 0 - 9.8-36.0 HA ALA 15 - QB ALA 108 far 0 99 0 - 10.0-42.6 Violated in 0 structures by 0.00 A. Peak 3536 from aliabs.peaks (1.38, 1.38, 19.16 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * QB ALA 110 + QB ALA 110 OK 100 100 - 100 QB ALA 108 + QB ALA 108 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 98 98 - 100 QB ALA 28 + QB ALA 28 OK 98 98 - 100 QB ALA 109 + QB ALA 109 OK 97 97 - 100 QB ALA 29 + QB ALA 29 OK 93 93 - 100 QB ALA 16 + QB ALA 16 OK 89 89 - 100 Peak 3539 from aliabs.peaks (3.93, 3.93, 45.11 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA2 GLY 111 + HA2 GLY 111 OK 100 100 - 100 HA3 GLY 14 + HA3 GLY 14 OK 78 78 - 100 HA2 GLY 14 + HA2 GLY 14 OK 74 74 - 100 HA3 GLY 111 + HA3 GLY 111 OK 70 70 - 100 Peak 3540 from aliabs.peaks (3.94, 3.93, 45.11 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HA2 GLY 111 + HA2 GLY 111 OK 93 93 - 100 HA3 GLY 111 + HA3 GLY 111 OK 81 81 - 100 HA3 GLY 14 + HA3 GLY 14 OK 52 52 - 100 HA2 GLY 14 + HA2 GLY 14 OK 47 47 - 100 Reference assignment not found: HA3 GLY 111 - HA2 GLY 111 Peak 3543 from aliabs.peaks (3.93, 3.94, 45.11 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HA3 GLY 111 + HA3 GLY 111 OK 93 93 - 100 HA2 GLY 111 + HA2 GLY 111 OK 81 81 - 100 HA2 GLY 17 + HA2 GLY 17 OK 77 77 - 100 HA3 GLY 17 + HA3 GLY 17 OK 52 52 - 100 Reference assignment not found: HA2 GLY 111 - HA3 GLY 111 Peak 3544 from aliabs.peaks (3.94, 3.94, 45.11 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA3 GLY 111 + HA3 GLY 111 OK 100 100 - 100 HA2 GLY 17 + HA2 GLY 17 OK 96 96 - 100 HA3 GLY 17 + HA3 GLY 17 OK 78 78 - 100 HA2 GLY 111 + HA2 GLY 111 OK 70 70 - 100 Peak 3547 from aliabs.peaks (4.42, 4.42, 59.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 112 + HA VAL 112 OK 100 100 - 100 Peak 3548 from aliabs.peaks (2.12, 4.42, 59.83 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 112 + HA VAL 112 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 PRO 56 - HA VAL 112 far 4 89 5 - 4.1-16.2 HB VAL 57 - HA VAL 112 far 0 68 0 - 6.1-16.6 HB3 GLN 61 - HA VAL 112 far 0 92 0 - 9.4-18.3 Violated in 0 structures by 0.00 A. Peak 3549 from aliabs.peaks (0.92, 4.42, 59.83 ppm; 3.14 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 112 + HA VAL 112 OK 100 100 100 100 2.0-2.8 3557=100, 2.1/3562=68...(20) QD1 LEU 119 - HA VAL 112 far 5 92 5 - 4.5-10.2 QG2 VAL 63 - HA VAL 112 far 0 95 0 - 6.0-11.9 QG1 VAL 57 - HA VAL 112 far 0 85 0 - 6.2-15.5 QD1 LEU 62 - HA VAL 112 far 0 97 0 - 6.4-10.7 QG1 VAL 105 - HA VAL 112 far 0 57 0 - 8.6-16.6 QG1 VAL 20 - HA VAL 112 far 0 92 0 - 9.8-38.3 Violated in 0 structures by 0.00 A. Peak 3550 from aliabs.peaks (0.96, 4.42, 59.83 ppm; 3.04 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 112 + HA VAL 112 OK 100 100 100 100 1.9-2.9 3562=100, 2.1/3557=64...(21) QD1 LEU 119 - HA VAL 112 far 3 65 5 - 4.5-10.2 QG1 VAL 57 - HA VAL 112 far 0 76 0 - 6.2-15.5 QG1 VAL 105 - HA VAL 112 far 0 96 0 - 8.6-16.6 QD2 LEU 53 - HA VAL 112 far 0 100 0 - 9.0-17.0 Violated in 0 structures by 0.00 A. Peak 3552 from aliabs.peaks (4.42, 2.12, 32.13 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 112 + HB VAL 112 OK 100 100 100 100 2.9-3.0 3.0=100 HA THR 115 - HB VAL 112 far 0 83 0 - 5.2-8.3 HA HIS 5 - HB2 PRO 81 far 0 74 0 - 9.0-66.1 Violated in 0 structures by 0.00 A. Peak 3553 from aliabs.peaks (2.12, 2.12, 32.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 112 + HB VAL 112 OK 100 100 - 100 HB2 PRO 81 + HB2 PRO 81 OK 75 75 - 100 Peak 3554 from aliabs.peaks (0.92, 2.12, 32.13 ppm; 2.75 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 112 + HB VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 63 - HB VAL 112 far 5 95 5 - 3.9-13.7 QD1 LEU 119 - HB VAL 112 far 0 92 0 - 4.7-10.3 QD1 LEU 62 - HB VAL 112 far 0 97 0 - 5.8-11.2 QG1 VAL 105 - HB VAL 112 far 0 57 0 - 7.3-17.3 QG1 VAL 57 - HB VAL 112 far 0 85 0 - 7.9-16.0 QG2 ILE 37 - HB2 PRO 81 far 0 71 0 - 8.8-14.6 Violated in 0 structures by 0.00 A. Peak 3555 from aliabs.peaks (0.96, 2.12, 32.13 ppm; 2.91 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 112 + HB VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 119 - HB VAL 112 far 0 65 0 - 4.7-10.3 QG1 VAL 105 - HB VAL 112 far 0 96 0 - 7.3-17.3 QG1 VAL 57 - HB VAL 112 far 0 76 0 - 7.9-16.0 QD2 LEU 53 - HB VAL 112 far 0 100 0 - 9.6-16.8 Violated in 0 structures by 0.00 A. Peak 3557 from aliabs.peaks (4.42, 0.92, 20.13 ppm; 2.97 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.0-2.8 3549=84, 3562/2.1=61...(20) HA THR 115 - QG2 VAL 112 far 0 83 0 - 6.1-8.2 HA THR 54 - QG2 VAL 112 far 0 100 0 - 9.0-18.0 Violated in 0 structures by 0.00 A. Peak 3558 from aliabs.peaks (2.12, 0.92, 20.13 ppm; 2.64 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 PRO 56 - QG2 VAL 112 far 4 89 5 - 3.7-14.4 HB VAL 57 - QG2 VAL 112 far 0 68 0 - 6.4-15.5 HB3 GLN 61 - QG2 VAL 112 far 0 92 0 - 7.8-17.0 HB2 GLN 61 - QG2 VAL 112 far 0 87 0 - 8.8-18.4 Violated in 0 structures by 0.00 A. Peak 3559 from aliabs.peaks (0.92, 0.92, 20.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 112 + QG2 VAL 112 OK 100 100 - 100 Peak 3560 from aliabs.peaks (0.96, 0.92, 20.13 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 112 + QG2 VAL 112 OK 100 100 100 100 2.0-2.1 2.1=100 QG1 VAL 105 - QG2 VAL 112 far 0 96 0 - 5.2-15.3 QD1 LEU 119 - QG2 VAL 112 far 0 65 0 - 5.4-9.8 QG1 VAL 57 - QG2 VAL 112 far 0 76 0 - 5.8-14.2 QD2 LEU 53 - QG2 VAL 112 far 0 100 0 - 8.5-14.6 Violated in 0 structures by 0.00 A. Peak 3562 from aliabs.peaks (4.42, 0.96, 20.76 ppm; 2.97 A): 1 out of 7 assignments used, quality = 1.00: * HA VAL 112 + QG1 VAL 112 OK 100 100 100 100 1.9-2.9 3550=93, 3557/2.1=61...(22) HA THR 115 - QG1 VAL 112 far 12 83 15 - 4.1-5.6 HA MET 11 - QG1 VAL 105 far 4 70 5 - 4.4-45.7 HA THR 54 - QG1 VAL 112 far 0 100 0 - 8.1-16.3 HA VAL 112 - QG1 VAL 105 far 0 71 0 - 8.6-16.6 HA ASP 71 - QG1 VAL 105 far 0 71 0 - 9.2-13.9 HA ASN 120 - QG1 VAL 112 far 0 100 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3563 from aliabs.peaks (2.12, 0.96, 20.76 ppm; 2.70 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 PRO 56 - QG1 VAL 112 far 0 89 0 - 4.6-12.2 HB2 GLU 97 - QG1 VAL 105 far 0 55 0 - 7.3-11.9 HB VAL 112 - QG1 VAL 105 far 0 71 0 - 7.3-17.3 HB VAL 57 - QG1 VAL 112 far 0 68 0 - 7.5-13.5 HB3 GLN 61 - QG1 VAL 112 far 0 92 0 - 8.1-15.3 HB2 GLN 61 - QG1 VAL 112 far 0 87 0 - 9.1-16.7 Violated in 0 structures by 0.00 A. Peak 3564 from aliabs.peaks (0.92, 0.96, 20.76 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * QG2 VAL 112 + QG1 VAL 112 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 63 - QG1 VAL 112 far 5 95 5 - 3.5-11.0 QD1 LEU 119 - QG1 VAL 112 far 0 92 0 - 4.3-8.1 QG2 VAL 63 - QG1 VAL 105 far 0 63 0 - 5.2-7.8 QG2 VAL 112 - QG1 VAL 105 far 0 71 0 - 5.2-15.3 QD1 LEU 62 - QG1 VAL 112 far 0 97 0 - 5.3-9.2 QG1 VAL 20 - QG1 VAL 105 far 0 60 0 - 5.8-29.9 QG1 VAL 105 - QG1 VAL 112 far 0 57 0 - 6.4-14.9 QG1 VAL 57 - QG1 VAL 112 far 0 85 0 - 7.0-12.5 QD1 LEU 62 - QG1 VAL 105 far 0 66 0 - 7.2-11.6 QD1 LEU 119 - QG1 VAL 105 far 0 60 0 - 8.6-12.6 QD1 LEU 123 - QG1 VAL 112 far 0 100 0 - 8.8-14.1 Violated in 0 structures by 0.00 A. Peak 3565 from aliabs.peaks (0.96, 0.96, 20.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 112 + QG1 VAL 112 OK 100 100 - 100 QG1 VAL 105 + QG1 VAL 105 OK 64 64 - 100 Peak 3566 from aliabs.peaks (4.42, 3.70, 50.81 ppm; 3.01 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 112 + HD2 PRO 113 OK 100 100 100 100 2.1-2.4 3567=100, 3568/1.8=67...(34) HA THR 115 - HD2 PRO 113 far 0 83 0 - 5.6-8.7 HA THR 54 - HD2 PRO 113 far 0 100 0 - 8.2-19.9 Violated in 0 structures by 0.00 A. Peak 3567 from aliabs.peaks (3.70, 4.42, 59.83 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HA VAL 112 OK 100 100 100 100 2.1-2.4 3566=100, 1.8/3568=67...(34) Violated in 0 structures by 0.00 A. Peak 3568 from aliabs.peaks (4.42, 3.94, 50.81 ppm; 3.01 A): 1 out of 6 assignments used, quality = 1.00: * HA VAL 112 + HD3 PRO 113 OK 100 100 100 100 2.3-2.3 3569=71, 3567/1.8=68...(33) HA THR 115 - HD3 PRO 117 far 3 53 5 - 4.5-6.8 HA VAL 112 - HD3 PRO 117 far 0 73 0 - 5.9-12.4 HA THR 115 - HD3 PRO 113 far 0 83 0 - 7.0-9.2 HA THR 54 - HD3 PRO 113 far 0 100 0 - 8.0-20.1 HA ASN 120 - HD3 PRO 117 far 0 72 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 3569 from aliabs.peaks (3.94, 4.42, 59.83 ppm; 2.91 A): 2 out of 12 assignments used, quality = 1.00: * HD3 PRO 113 + HA VAL 112 OK 100 100 100 100 2.3-2.3 3568=90, 1.8/3567=64...(33) HA2 GLY 111 + HA VAL 112 OK 41 100 50 83 4.3-5.3 10661/3557=25, 4.8=22...(18) HA3 GLY 111 - HA VAL 112 far 5 98 5 - 4.4-5.3 HB2 SER 60 - HA VAL 112 far 3 63 5 - 4.4-18.4 HB2 SER 107 - HA VAL 112 far 0 87 0 - 5.1-17.7 HB3 SER 60 - HA VAL 112 far 0 63 0 - 5.3-18.2 HD3 PRO 117 - HA VAL 112 far 0 90 0 - 5.9-12.4 HB3 SER 107 - HA VAL 112 far 0 76 0 - 6.3-17.4 HA2 GLY 14 - HA VAL 112 far 0 87 0 - 7.0-48.7 HA3 GLY 17 - HA VAL 112 far 0 81 0 - 7.1-47.7 HA3 GLY 14 - HA VAL 112 far 0 89 0 - 7.7-47.8 HA2 GLY 17 - HA VAL 112 far 0 92 0 - 8.5-49.3 Violated in 0 structures by 0.00 A. Peak 3570 from aliabs.peaks (4.36, 3.70, 50.81 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 113 + HD2 PRO 113 OK 100 100 100 100 4.1-4.1 3.6=100 HA SER 107 - HD2 PRO 113 far 0 73 0 - 8.3-16.9 HA PRO 117 - HD2 PRO 113 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 3571 from aliabs.peaks (1.91, 3.70, 50.81 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 113 + HD2 PRO 113 OK 100 100 100 100 4.0-4.0 3.0=100 HG2 PRO 113 + HD2 PRO 113 OK 78 78 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 3572 from aliabs.peaks (2.27, 3.70, 50.81 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HG2 GLN 61 - HD2 PRO 113 far 0 99 0 - 8.9-19.5 Violated in 0 structures by 0.00 A. Peak 3573 from aliabs.peaks (1.93, 3.70, 50.81 ppm; 3.62 A): 2 out of 3 assignments used, quality = 1.00: * HG2 PRO 113 + HD2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 113 + HD2 PRO 113 OK 78 78 100 100 4.0-4.0 3.0=100 HB2 PRO 58 - HD2 PRO 113 far 0 89 0 - 5.5-16.2 Violated in 0 structures by 0.00 A. Peak 3574 from aliabs.peaks (2.06, 3.70, 50.81 ppm; 3.49 A): 1 out of 8 assignments used, quality = 1.00: * HG3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 117 - HD2 PRO 113 far 0 99 0 - 5.9-14.5 HG3 PRO 117 - HD2 PRO 113 far 0 99 0 - 7.2-14.7 HB3 GLU 55 - HD2 PRO 113 far 0 90 0 - 7.6-19.3 HG3 PRO 58 - HD2 PRO 113 far 0 99 0 - 7.8-17.7 HB2 LEU 62 - HD2 PRO 113 far 0 100 0 - 8.3-14.9 QE MET 11 - HD2 PRO 113 far 0 57 0 - 9.1-46.4 HB VAL 118 - HD2 PRO 113 far 0 99 0 - 9.3-13.7 Violated in 0 structures by 0.00 A. Peak 3575 from aliabs.peaks (3.70, 3.70, 50.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HD2 PRO 113 OK 100 100 - 100 Peak 3576 from aliabs.peaks (3.94, 3.70, 50.81 ppm; 2.76 A): 1 out of 12 assignments used, quality = 1.00: * HD3 PRO 113 + HD2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 107 - HD2 PRO 113 far 0 87 0 - 5.6-19.4 HB2 SER 60 - HD2 PRO 113 far 0 63 0 - 5.9-18.2 HA2 GLY 14 - HD2 PRO 113 far 0 87 0 - 6.2-48.3 HA2 GLY 111 - HD2 PRO 113 far 0 100 0 - 6.3-7.2 HA3 GLY 111 - HD2 PRO 113 far 0 98 0 - 6.4-7.2 HB3 SER 107 - HD2 PRO 113 far 0 76 0 - 6.5-19.0 HB3 SER 60 - HD2 PRO 113 far 0 63 0 - 6.7-18.0 HA3 GLY 14 - HD2 PRO 113 far 0 89 0 - 6.9-47.4 HD3 PRO 117 - HD2 PRO 113 far 0 90 0 - 7.0-12.8 HA3 GLY 17 - HD2 PRO 113 far 0 81 0 - 9.1-47.3 HA LEU 100 - HD2 PRO 113 far 0 63 0 - 10.0-18.0 Violated in 0 structures by 0.00 A. Peak 3578 from aliabs.peaks (4.36, 3.94, 50.81 ppm; 4.75 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.6-3.6 3.6=100 HA PRO 117 + HD3 PRO 117 OK 73 73 100 100 3.6-4.1 3.6=100 HA PRO 113 - HD3 PRO 117 far 4 73 5 - 3.8-11.4 HA SER 107 - HD3 PRO 117 far 0 46 0 - 6.6-16.7 HA SER 107 - HD3 PRO 113 far 0 73 0 - 6.6-17.1 HA PRO 117 - HD3 PRO 113 far 0 100 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3579 from aliabs.peaks (1.91, 3.94, 50.81 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HG2 PRO 113 + HD3 PRO 113 OK 78 78 100 100 3.0-3.0 2.3=100 HB2 PRO 113 - HD3 PRO 117 far 0 73 0 - 6.5-11.3 HG2 PRO 113 - HD3 PRO 117 far 0 50 0 - 7.5-12.7 HG LEU 53 - HD3 PRO 113 far 0 68 0 - 9.4-20.5 Violated in 0 structures by 0.00 A. Peak 3580 from aliabs.peaks (2.27, 3.94, 50.81 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 PRO 113 - HD3 PRO 117 far 0 73 0 - 5.8-12.4 HG2 GLN 61 - HD3 PRO 113 far 0 99 0 - 7.2-18.6 HB VAL 105 - HD3 PRO 113 far 0 99 0 - 9.2-20.5 Violated in 0 structures by 0.00 A. Peak 3581 from aliabs.peaks (1.93, 3.94, 50.81 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * HG2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 113 + HD3 PRO 113 OK 78 78 100 100 3.9-3.9 3.0=100 HB2 PRO 58 - HD3 PRO 113 far 4 89 5 - 4.7-15.4 HB2 PRO 113 - HD3 PRO 117 far 0 50 0 - 6.5-11.3 HG2 PRO 113 - HD3 PRO 117 far 0 73 0 - 7.5-12.7 HG LEU 53 - HD3 PRO 113 far 0 100 0 - 9.4-20.5 Violated in 0 structures by 0.00 A. Peak 3582 from aliabs.peaks (2.06, 3.94, 50.81 ppm; 3.57 A): 4 out of 15 assignments used, quality = 1.00: * HG3 PRO 113 + HD3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 117 + HD3 PRO 117 OK 71 71 100 100 2.3-3.0 2.3=100 HG2 PRO 117 + HD3 PRO 117 OK 71 71 100 100 2.3-3.0 2.3=100 HB VAL 118 + HD3 PRO 117 OK 46 70 70 94 4.1-6.2 11542/3.6=32, ~11590=27...(22) HG2 PRO 117 - HD3 PRO 113 far 0 99 0 - 5.7-15.0 HG3 PRO 58 - HD3 PRO 113 far 0 99 0 - 6.5-16.9 HG3 PRO 117 - HD3 PRO 113 far 0 99 0 - 6.6-15.0 HB3 GLU 55 - HD3 PRO 113 far 0 90 0 - 6.9-19.1 HB2 LEU 62 - HD3 PRO 113 far 0 100 0 - 7.0-13.9 HB2 GLU 102 - HD3 PRO 117 far 0 46 0 - 7.1-14.0 HG3 PRO 113 - HD3 PRO 117 far 0 73 0 - 7.6-13.3 QE MET 11 - HD3 PRO 113 far 0 57 0 - 8.1-45.5 HB2 LEU 62 - HD3 PRO 117 far 0 73 0 - 8.2-18.7 HB VAL 118 - HD3 PRO 113 far 0 99 0 - 8.6-13.8 HB2 GLU 102 - HD3 PRO 113 far 0 73 0 - 9.0-20.4 Violated in 0 structures by 0.00 A. Peak 3583 from aliabs.peaks (3.70, 3.94, 50.81 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 113 + HD3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 113 - HD3 PRO 117 far 0 73 0 - 7.0-12.8 Violated in 0 structures by 0.00 A. Peak 3584 from aliabs.peaks (3.94, 3.94, 50.81 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 113 + HD3 PRO 113 OK 100 100 - 100 HD3 PRO 117 + HD3 PRO 117 OK 60 60 - 100 Peak 3586 from aliabs.peaks (4.36, 4.36, 63.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PRO 113 + HA PRO 113 OK 100 100 - 100 HA CYS 73 + HA CYS 73 OK 48 48 - 100 Peak 3587 from aliabs.peaks (1.91, 4.36, 63.99 ppm; 3.44 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 113 + HA PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 113 + HA PRO 113 OK 69 78 100 88 3.9-3.9 3.8=71, 11545/4.9=23...(7) HB2 ARG 90 - HA CYS 73 far 0 54 0 - 7.4-10.4 HG LEU 53 - HA PRO 113 far 0 68 0 - 8.0-17.0 HB3 LYS 36 - HA CYS 73 far 0 30 0 - 8.1-15.3 HB2 GLU 30 - HA CYS 73 far 0 26 0 - 9.7-23.2 Violated in 0 structures by 0.00 A. Peak 3588 from aliabs.peaks (2.27, 4.36, 63.99 ppm; 2.99 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 113 + HA PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 GLN 61 - HA PRO 113 far 0 99 0 - 7.2-15.5 HB VAL 132 - HA CYS 73 far 0 53 0 - 8.1-11.2 HG2 GLU 30 - HA CYS 73 far 0 54 0 - 8.2-24.1 Violated in 0 structures by 0.00 A. Peak 3589 from aliabs.peaks (1.93, 4.36, 63.99 ppm; 3.44 A): 2 out of 8 assignments used, quality = 0.98: * HG2 PRO 113 + HA PRO 113 OK 89 100 100 89 3.9-3.9 3.8=71, 11545/4.9=27...(6) HB2 PRO 113 + HA PRO 113 OK 78 78 100 100 2.7-2.7 2.3=100 HB2 PRO 58 - HA PRO 113 lone 1 89 35 5 2.8-13.6 ~11566=2, ~11508=1 HB2 ARG 90 - HA CYS 73 far 0 40 0 - 7.4-10.4 HG LEU 53 - HA PRO 113 far 0 100 0 - 8.0-17.0 HB3 ARG 90 - HA CYS 73 far 0 40 0 - 8.3-10.4 HB2 GLU 30 - HA CYS 73 far 0 52 0 - 9.7-23.2 HB3 LYS 86 - HA CYS 73 far 0 32 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 3590 from aliabs.peaks (2.06, 4.36, 63.99 ppm; 4.21 A): 1 out of 12 assignments used, quality = 1.00: * HG3 PRO 113 + HA PRO 113 OK 100 100 100 100 4.0-4.0 3.8=100 HG3 PRO 58 - HA PRO 113 poor 20 99 20 - 4.8-14.6 HG2 PRO 117 - HA PRO 113 far 5 99 5 - 4.5-13.4 HG3 PRO 117 - HA PRO 113 far 5 99 5 - 5.2-13.4 HB VAL 118 - HA PRO 113 far 5 99 5 - 5.3-11.5 QE MET 11 - HA PRO 113 far 0 57 0 - 6.1-43.6 HB2 LEU 62 - HA PRO 113 far 0 100 0 - 6.4-11.0 HB3 LYS 39 - HA CYS 73 far 0 37 0 - 7.7-11.3 HB3 GLU 55 - HA PRO 113 far 0 90 0 - 7.8-16.1 HG3 PRO 81 - HA CYS 73 far 0 52 0 - 8.8-13.1 HB2 GLU 102 - HA PRO 113 far 0 73 0 - 9.2-18.2 HG3 GLN 134 - HA CYS 73 far 0 40 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 3591 from aliabs.peaks (3.70, 4.36, 63.99 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HA PRO 113 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 3592 from aliabs.peaks (3.94, 4.36, 63.99 ppm; 4.03 A): 1 out of 13 assignments used, quality = 1.00: * HD3 PRO 113 + HA PRO 113 OK 100 100 100 100 3.6-3.6 3.6=100 HB2 SER 60 - HA PRO 113 far 9 63 15 - 4.1-15.4 HB2 SER 107 - HA PRO 113 far 9 87 10 - 4.2-19.0 HB3 SER 60 - HA PRO 113 far 6 63 10 - 4.2-15.5 HD3 PRO 117 - HA PRO 113 far 5 90 5 - 3.8-11.4 HB3 SER 107 - HA PRO 113 far 4 76 5 - 3.9-18.6 HA2 GLY 111 - HA PRO 113 far 0 100 0 - 6.3-7.9 HA3 GLY 111 - HA PRO 113 far 0 98 0 - 6.4-7.9 HA LEU 100 - HA PRO 113 far 0 63 0 - 7.5-14.9 HB2 SER 33 - HA CYS 73 far 0 26 0 - 7.9-17.4 HA3 GLY 17 - HA PRO 113 far 0 81 0 - 8.9-44.1 HA2 GLY 14 - HA PRO 113 far 0 87 0 - 9.8-44.8 HA ALA 41 - HA CYS 73 far 0 36 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3594 from aliabs.peaks (4.36, 1.91, 31.65 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 113 + HB2 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HA SER 107 - HB2 PRO 113 far 0 73 0 - 7.4-18.9 HA PRO 117 - HB2 PRO 113 far 0 100 0 - 7.7-10.9 Violated in 0 structures by 0.00 A. Peak 3595 from aliabs.peaks (1.91, 1.91, 31.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 113 + HB2 PRO 113 OK 100 100 - 100 Peak 3596 from aliabs.peaks (2.27, 1.91, 31.65 ppm; 2.81 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 61 - HB2 PRO 113 far 0 99 0 - 7.1-16.9 Violated in 0 structures by 0.00 A. Peak 3597 from aliabs.peaks (1.93, 1.91, 31.65 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HB2 PRO 113 + HB2 PRO 113 OK 78 78 - 100 Reference assignment not found: HG2 PRO 113 - HB2 PRO 113 Peak 3598 from aliabs.peaks (2.06, 1.91, 31.65 ppm; 3.24 A): 1 out of 8 assignments used, quality = 1.00: * HG3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 LEU 62 - HB2 PRO 113 far 5 100 5 - 4.7-12.4 HG2 PRO 117 - HB2 PRO 113 far 0 99 0 - 7.1-12.9 HG3 PRO 58 - HB2 PRO 113 far 0 99 0 - 7.2-14.3 QE MET 11 - HB2 PRO 113 far 0 57 0 - 7.2-43.2 HB VAL 118 - HB2 PRO 113 far 0 99 0 - 7.2-12.2 HB3 GLU 55 - HB2 PRO 113 far 0 90 0 - 7.3-17.0 HG3 PRO 117 - HB2 PRO 113 far 0 99 0 - 7.9-13.0 Violated in 0 structures by 0.00 A. Peak 3599 from aliabs.peaks (3.70, 1.91, 31.65 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HB2 PRO 113 OK 100 100 100 100 4.0-4.0 3.0=100 Violated in 20 structures by 0.14 A. Peak 3600 from aliabs.peaks (3.94, 1.91, 31.65 ppm; 4.05 A): 1 out of 12 assignments used, quality = 1.00: * HD3 PRO 113 + HB2 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 SER 107 - HB2 PRO 113 far 4 87 5 - 5.5-20.6 HB3 SER 107 - HB2 PRO 113 far 4 76 5 - 5.1-20.3 HD3 PRO 117 - HB2 PRO 113 far 0 90 0 - 6.5-11.3 HB2 SER 60 - HB2 PRO 113 far 0 63 0 - 6.7-15.8 HB3 SER 60 - HB2 PRO 113 far 0 63 0 - 6.9-16.5 HA LEU 100 - HB2 PRO 113 far 0 63 0 - 7.7-15.8 HA2 GLY 111 - HB2 PRO 113 far 0 100 0 - 8.5-9.8 HA3 GLY 111 - HB2 PRO 113 far 0 98 0 - 8.7-9.8 HA2 GLY 14 - HB2 PRO 113 far 0 87 0 - 9.0-45.4 HA3 GLY 17 - HB2 PRO 113 far 0 81 0 - 9.8-44.4 HA3 GLY 14 - HB2 PRO 113 far 0 89 0 - 9.9-45.6 Violated in 0 structures by 0.00 A. Peak 3602 from aliabs.peaks (4.36, 2.27, 31.65 ppm; 3.05 A): 1 out of 7 assignments used, quality = 1.00: * HA PRO 113 + HB3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HA SER 107 - HB3 PRO 113 far 0 73 0 - 5.8-18.9 HA SER 107 - HB VAL 105 far 0 65 0 - 6.7-8.1 HA GLN 134 - HB VAL 132 far 0 77 0 - 7.3-8.4 HA PRO 117 - HB3 PRO 113 far 0 100 0 - 8.0-12.0 HA CYS 73 - HB VAL 132 far 0 77 0 - 8.1-11.2 HA CYS 125 - HB VAL 132 far 0 80 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 3603 from aliabs.peaks (1.91, 2.27, 31.65 ppm; 2.61 A): 2 out of 9 assignments used, quality = 1.00: * HB2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 113 + HB3 PRO 113 OK 78 78 100 100 3.0-3.0 2.3=100 HB2 ARG 135 - HB VAL 132 far 3 61 5 - 4.0-7.0 HB3 ARG 84 - HB VAL 132 far 0 82 0 - 6.5-9.5 HG LEU 53 - HB3 PRO 113 far 0 68 0 - 6.7-18.7 HB2 GLU 30 - HB VAL 105 far 0 53 0 - 7.3-26.1 HB2 ARG 90 - HB VAL 132 far 0 84 0 - 7.8-11.0 HB2 MET 11 - HB VAL 105 far 0 92 0 - 8.9-57.5 HB3 LEU 49 - HB3 PRO 113 far 0 100 0 - 9.1-18.0 Violated in 0 structures by 0.00 A. Peak 3604 from aliabs.peaks (2.27, 2.27, 31.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 PRO 113 + HB3 PRO 113 OK 100 100 - 100 HB VAL 105 + HB VAL 105 OK 92 92 - 100 HB VAL 132 + HB VAL 132 OK 82 82 - 100 Peak 3605 from aliabs.peaks (1.93, 2.27, 31.65 ppm; 2.89 A): 2 out of 12 assignments used, quality = 1.00: * HG2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 113 + HB3 PRO 113 OK 78 78 100 100 1.8-1.8 1.8=100 HB2 PRO 58 - HB3 PRO 113 far 0 89 0 - 4.7-12.6 HB3 PRO 81 - HB VAL 132 far 0 63 0 - 5.9-9.9 HB3 ARG 84 - HB VAL 132 far 0 46 0 - 6.5-9.5 HG LEU 53 - HB3 PRO 113 far 0 100 0 - 6.7-18.7 HB3 LYS 86 - HB VAL 132 far 0 53 0 - 7.0-9.8 HB2 GLU 30 - HB VAL 105 far 0 93 0 - 7.3-26.1 HB3 ARG 90 - HB VAL 132 far 0 65 0 - 7.8-11.9 HB2 ARG 90 - HB VAL 132 far 0 65 0 - 7.8-11.0 HB2 MET 11 - HB VAL 105 far 0 85 0 - 8.9-57.5 HB3 LEU 49 - HB3 PRO 113 far 0 89 0 - 9.1-18.0 Violated in 0 structures by 0.00 A. Peak 3606 from aliabs.peaks (2.06, 2.27, 31.65 ppm; 3.08 A): 2 out of 19 assignments used, quality = 1.00: * HG3 PRO 113 + HB3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 ARG 135 + HB VAL 132 OK 42 53 80 99 3.7-6.7 10534/2.1=21, ~10527=20...(37) HG3 PRO 81 - HB VAL 132 far 4 81 5 - 4.2-8.4 HB2 GLU 102 - HB VAL 105 far 3 65 5 - 4.5-9.8 QE MET 11 - HB VAL 105 far 3 50 5 - 4.3-47.2 HB2 LEU 62 - HB3 PRO 113 far 0 100 0 - 4.8-11.9 HG3 GLN 134 - HB VAL 132 far 0 65 0 - 5.5-7.7 HB2 GLU 128 - HB VAL 132 far 0 57 0 - 6.2-8.5 QE MET 11 - HB3 PRO 113 far 0 57 0 - 6.4-43.2 HB2 PRO 81 - HB VAL 132 far 0 57 0 - 6.4-10.5 HG2 PRO 117 - HB3 PRO 113 far 0 99 0 - 6.4-14.2 HG3 PRO 58 - HB3 PRO 113 far 0 99 0 - 6.6-14.3 HB3 GLU 55 - HB3 PRO 113 far 0 90 0 - 6.6-17.3 HB VAL 118 - HB3 PRO 113 far 0 99 0 - 6.8-13.3 HG3 PRO 117 - HB3 PRO 113 far 0 99 0 - 7.0-14.3 HB3 GLN 27 - HB VAL 105 far 0 93 0 - 8.0-28.7 HB3 LYS 39 - HB VAL 132 far 0 61 0 - 8.3-14.2 HB2 GLU 102 - HB3 PRO 113 far 0 73 0 - 9.0-19.6 HB3 GLU 91 - HB VAL 132 far 0 53 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 3607 from aliabs.peaks (3.70, 2.27, 31.65 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HB3 PRO 113 OK 100 100 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3608 from aliabs.peaks (3.94, 2.27, 31.65 ppm; 3.87 A): 1 out of 22 assignments used, quality = 1.00: * HD3 PRO 113 + HB3 PRO 113 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 SER 107 - HB3 PRO 113 far 4 87 5 - 3.8-20.8 HB3 SER 107 - HB3 PRO 113 far 4 76 5 - 3.6-20.4 HD3 PRO 117 - HB3 PRO 113 far 0 90 0 - 5.8-12.4 HB2 SER 107 - HB VAL 105 far 0 79 0 - 5.9-7.7 HB2 SER 60 - HB3 PRO 113 far 0 63 0 - 5.9-14.4 HB3 SER 60 - HB3 PRO 113 far 0 63 0 - 6.3-15.2 HA2 GLY 111 - HB VAL 105 far 0 94 0 - 6.5-16.7 HA LEU 100 - HB3 PRO 113 far 0 63 0 - 6.5-16.8 HB3 SER 107 - HB VAL 105 far 0 68 0 - 6.6-8.7 HA3 GLY 111 - HB VAL 105 far 0 91 0 - 6.7-17.9 HA2 GLY 17 - HB VAL 105 far 0 84 0 - 6.8-47.8 HA2 GLY 111 - HB3 PRO 113 far 0 100 0 - 7.2-9.1 HA3 GLY 17 - HB VAL 105 far 0 72 0 - 7.3-46.1 HA3 GLY 111 - HB3 PRO 113 far 0 98 0 - 7.6-9.1 HA2 GLY 14 - HB VAL 105 far 0 79 0 - 7.8-47.5 HA2 GLY 14 - HB3 PRO 113 far 0 87 0 - 8.5-44.6 HA LEU 100 - HB VAL 105 far 0 55 0 - 8.7-10.3 HA3 GLY 14 - HB VAL 105 far 0 80 0 - 8.7-46.7 HD3 PRO 113 - HB VAL 105 far 0 95 0 - 9.2-20.5 HA3 GLY 14 - HB3 PRO 113 far 0 89 0 - 9.7-44.9 HA3 GLY 17 - HB3 PRO 113 far 0 81 0 - 9.9-44.0 Violated in 0 structures by 0.00 A. Peak 3610 from aliabs.peaks (4.36, 1.93, 27.50 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 113 + HG2 PRO 113 OK 100 100 100 100 3.9-3.9 3.8=100 HA SER 107 - HG2 PRO 113 far 0 73 0 - 8.6-17.9 HA PRO 117 - HG2 PRO 113 far 0 100 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 3611 from aliabs.peaks (1.91, 1.93, 27.50 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HG2 PRO 113 + HG2 PRO 113 OK 78 78 - 100 Reference assignment not found: HB2 PRO 113 - HG2 PRO 113 Peak 3612 from aliabs.peaks (2.27, 1.93, 27.50 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HG2 GLN 61 - HG2 PRO 113 far 0 99 0 - 8.2-19.0 Violated in 0 structures by 0.00 A. Peak 3613 from aliabs.peaks (1.93, 1.93, 27.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 113 + HG2 PRO 113 OK 100 100 - 100 Peak 3614 from aliabs.peaks (2.06, 1.93, 27.50 ppm; 3.14 A): 1 out of 8 assignments used, quality = 1.00: * HG3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 62 - HG2 PRO 113 far 0 100 0 - 6.5-14.5 HB3 GLU 55 - HG2 PRO 113 far 0 90 0 - 6.9-18.7 HG2 PRO 117 - HG2 PRO 113 far 0 99 0 - 7.2-13.9 HG3 PRO 58 - HG2 PRO 113 far 0 99 0 - 7.6-16.6 HG3 PRO 117 - HG2 PRO 113 far 0 99 0 - 8.4-14.5 QE MET 11 - HG2 PRO 113 far 0 57 0 - 8.8-45.0 HB VAL 118 - HG2 PRO 113 far 0 99 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3615 from aliabs.peaks (3.70, 1.93, 27.50 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HG2 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 3616 from aliabs.peaks (3.94, 1.93, 27.50 ppm; 4.07 A): 1 out of 11 assignments used, quality = 1.00: * HD3 PRO 113 + HG2 PRO 113 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 SER 107 - HG2 PRO 113 far 0 87 0 - 6.2-20.3 HB3 SER 107 - HG2 PRO 113 far 0 76 0 - 6.4-19.7 HB2 SER 60 - HG2 PRO 113 far 0 63 0 - 7.0-17.1 HA2 GLY 14 - HG2 PRO 113 far 0 87 0 - 7.1-47.2 HD3 PRO 117 - HG2 PRO 113 far 0 90 0 - 7.5-12.7 HB3 SER 60 - HG2 PRO 113 far 0 63 0 - 7.7-17.0 HA3 GLY 14 - HG2 PRO 113 far 0 89 0 - 7.8-47.5 HA2 GLY 111 - HG2 PRO 113 far 0 100 0 - 8.1-9.0 HA3 GLY 111 - HG2 PRO 113 far 0 98 0 - 8.3-9.0 HA LEU 100 - HG2 PRO 113 far 0 63 0 - 9.2-17.7 Violated in 0 structures by 0.00 A. Peak 3618 from aliabs.peaks (4.36, 2.06, 27.50 ppm; 5.05 A): 5 out of 16 assignments used, quality = 1.00: * HA PRO 113 + HG3 PRO 113 OK 100 100 100 100 4.0-4.0 3.8=100 HA PRO 117 + HG3 PRO 117 OK 88 88 100 100 3.9-4.0 3.8=100 HA PRO 117 + HG2 PRO 117 OK 88 88 100 100 3.9-4.0 3.8=100 HA CYS 125 + HB2 GLN 127 OK 57 77 75 98 5.0-7.0 7839/4.7=60, 4.9/3966=58...(14) HA GLN 134 + HG3 PRO 81 OK 39 77 85 60 4.2-9.5 11759/10575=16...(11) HA ASP 47 - HB2 GLN 127 poor 13 44 30 - 5.0-8.3 HA PRO 113 - HG2 PRO 117 far 4 88 5 - 4.5-13.4 HA PRO 113 - HG3 PRO 117 far 4 88 5 - 5.2-13.4 HA SER 107 - HG2 PRO 117 far 3 58 5 - 6.3-18.7 HA PRO 113 - HG3 PRO 58 lone 1 76 40 2 4.8-14.6 3589/2.3=1 HA SER 107 - HG3 PRO 117 far 0 58 0 - 7.2-18.5 HA SER 107 - HG3 PRO 113 far 0 73 0 - 7.4-18.9 HA SER 107 - HG3 PRO 58 far 0 49 0 - 8.6-16.3 HA CYS 73 - HG3 PRO 81 far 0 77 0 - 8.8-13.1 HA ASP 78 - HG3 PRO 81 far 0 65 0 - 9.6-11.2 HA LEU 69 - HB2 GLN 127 far 0 66 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 3619 from aliabs.peaks (1.91, 2.06, 27.50 ppm; 3.18 A): 2 out of 22 assignments used, quality = 1.00: * HB2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 113 + HG3 PRO 113 OK 78 78 100 100 1.8-1.8 1.8=100 HB2 ARG 135 - HG3 PRO 81 far 6 61 10 - 3.9-7.8 HG LEU 53 - HB2 GLN 127 far 0 48 0 - 5.1-9.1 HB3 ARG 84 - HG3 PRO 81 far 0 82 0 - 5.5-10.8 HB2 GLU 30 - HG3 PRO 58 far 0 39 0 - 6.6-27.3 HB3 LEU 49 - HB2 GLN 127 far 0 80 0 - 7.0-9.0 HB2 PRO 113 - HG2 PRO 117 far 0 88 0 - 7.1-12.9 HB2 PRO 113 - HG3 PRO 58 far 0 76 0 - 7.2-14.3 HG2 PRO 113 - HG2 PRO 117 far 0 62 0 - 7.2-13.9 HG2 PRO 113 - HG3 PRO 58 far 0 52 0 - 7.6-16.6 HB2 PRO 113 - HG3 PRO 117 far 0 88 0 - 7.9-13.0 HG LEU 53 - HG3 PRO 113 far 0 68 0 - 8.3-20.4 HG2 PRO 113 - HG3 PRO 117 far 0 62 0 - 8.4-14.5 HB3 LEU 48 - HB2 GLN 127 far 0 68 0 - 9.0-13.1 HG LEU 53 - HG3 PRO 58 far 0 45 0 - 9.1-14.2 HB2 GLU 40 - HG3 PRO 81 far 0 78 0 - 9.1-16.6 HB2 MET 11 - HG3 PRO 58 far 0 73 0 - 9.1-46.8 HB2 LYS 95 - HB2 GLN 127 far 0 46 0 - 9.2-12.8 HB3 LEU 49 - HG3 PRO 58 far 0 75 0 - 9.6-12.7 HB2 LYS 95 - HG2 PRO 117 far 0 51 0 - 9.7-15.7 HB3 LEU 48 - HG3 PRO 58 far 0 63 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 3620 from aliabs.peaks (2.27, 2.06, 27.50 ppm; 3.43 A): 3 out of 10 assignments used, quality = 1.00: * HB3 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 GLN 61 + HG3 PRO 58 OK 60 74 90 91 2.2-5.3 10934/2.3=30, ~10935=25...(27) HB2 PRO 81 + HG3 PRO 81 OK 27 27 100 100 2.3-3.0 2.3=100 HB VAL 132 - HG3 PRO 81 far 8 82 10 - 4.2-8.4 HG2 GLU 30 - HG3 PRO 58 far 0 76 0 - 6.1-25.0 HB3 PRO 113 - HG2 PRO 117 far 0 88 0 - 6.4-14.2 HB3 PRO 113 - HG3 PRO 58 far 0 76 0 - 6.6-14.3 HG2 GLU 40 - HG3 PRO 81 far 0 72 0 - 6.9-15.5 HB3 PRO 113 - HG3 PRO 117 far 0 88 0 - 7.0-14.3 HG2 GLN 61 - HG3 PRO 113 far 0 99 0 - 7.6-18.8 Violated in 0 structures by 0.00 A. Peak 3621 from aliabs.peaks (1.93, 2.06, 27.50 ppm; 2.79 A): 4 out of 24 assignments used, quality = 1.00: * HG2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 113 + HG3 PRO 113 OK 78 78 100 100 2.7-2.7 2.3=100 HB3 PRO 81 + HG3 PRO 81 OK 63 63 100 100 2.3-2.7 2.3=100 HB2 PRO 58 + HG3 PRO 58 OK 61 61 100 100 2.3-3.0 2.3=100 HB2 PRO 58 - HG3 PRO 113 far 4 89 5 - 4.1-14.8 HG LEU 53 - HB2 GLN 127 far 0 81 0 - 5.1-9.1 HB3 LYS 86 - HG3 PRO 81 far 0 53 0 - 5.3-9.9 HB3 ARG 84 - HG3 PRO 81 far 0 46 0 - 5.5-10.8 HB2 GLU 30 - HG3 PRO 58 far 0 74 0 - 6.6-27.3 HB3 LEU 49 - HB2 GLN 127 far 0 66 0 - 7.0-9.0 HB2 PRO 113 - HG2 PRO 117 far 0 62 0 - 7.1-12.9 HB2 PRO 113 - HG3 PRO 58 far 0 52 0 - 7.2-14.3 HG2 PRO 113 - HG2 PRO 117 far 0 88 0 - 7.2-13.9 HG2 PRO 113 - HG3 PRO 58 far 0 76 0 - 7.6-16.6 HB2 PRO 113 - HG3 PRO 117 far 0 62 0 - 7.9-13.0 HB3 LYS 95 - HG2 PRO 117 far 0 84 0 - 8.2-14.1 HG LEU 53 - HG3 PRO 113 far 0 100 0 - 8.3-20.4 HG2 PRO 113 - HG3 PRO 117 far 0 88 0 - 8.4-14.5 HG LEU 53 - HG3 PRO 58 far 0 75 0 - 9.1-14.2 HB2 MET 11 - HG3 PRO 58 far 0 66 0 - 9.1-46.8 HB3 LYS 95 - HG3 PRO 117 far 0 84 0 - 9.2-14.2 HB2 LYS 95 - HB2 GLN 127 far 0 80 0 - 9.2-12.8 HB3 LEU 49 - HG3 PRO 58 far 0 61 0 - 9.6-12.7 HB2 LYS 95 - HG2 PRO 117 far 0 86 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 3622 from aliabs.peaks (2.06, 2.06, 27.50 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG3 PRO 113 + HG3 PRO 113 OK 100 100 - 100 HG2 PRO 117 + HG2 PRO 117 OK 86 86 - 100 HG3 PRO 117 + HG3 PRO 117 OK 86 86 - 100 HG3 PRO 81 + HG3 PRO 81 OK 81 81 - 100 HB2 GLN 127 + HB2 GLN 127 OK 77 77 - 100 HG3 PRO 58 + HG3 PRO 58 OK 74 74 - 100 Peak 3623 from aliabs.peaks (3.70, 2.06, 27.50 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.7-2.7 2.3=100 HD2 PRO 113 - HG2 PRO 117 far 0 88 0 - 5.9-14.5 HD2 PRO 113 - HG3 PRO 117 far 0 88 0 - 7.2-14.7 HD2 PRO 113 - HG3 PRO 58 far 0 76 0 - 7.8-17.7 Violated in 0 structures by 0.00 A. Peak 3624 from aliabs.peaks (3.94, 2.06, 27.50 ppm; 4.33 A): 5 out of 35 assignments used, quality = 1.00: * HD3 PRO 113 + HG3 PRO 113 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 117 + HG2 PRO 117 OK 74 74 100 100 2.3-3.0 2.3=100 HD3 PRO 117 + HG3 PRO 117 OK 74 74 100 100 2.3-3.0 2.3=100 HB2 SER 60 + HG3 PRO 58 OK 21 41 100 52 3.2-5.5 ~1074=13, ~2638=10...(11) HB3 SER 60 + HG3 PRO 58 OK 21 41 100 52 3.2-5.8 ~1074=13, ~2638=9...(11) HA2 GLY 111 - HG3 PRO 58 poor 15 75 20 - 4.6-19.2 HB3 SER 107 - HG2 PRO 117 far 9 60 15 - 5.3-19.9 HB2 SER 107 - HG2 PRO 117 far 7 70 10 - 5.5-20.5 HD3 PRO 113 - HG2 PRO 117 far 4 88 5 - 5.7-15.0 HB2 SER 107 - HG3 PRO 113 far 4 87 5 - 5.0-20.6 HA2 GLY 111 - HG2 PRO 117 far 4 86 5 - 3.8-17.8 HA2 GLY 111 - HG3 PRO 117 far 4 86 5 - 4.8-17.6 HA3 GLY 111 - HG2 PRO 117 far 4 83 5 - 2.5-17.9 HA3 GLY 111 - HG3 PRO 117 far 4 83 5 - 3.4-17.8 HB3 SER 107 - HG3 PRO 113 far 4 76 5 - 5.4-20.5 HB2 SER 107 - HG3 PRO 117 far 4 70 5 - 5.6-20.4 HA2 GLY 17 - HG3 PRO 58 far 3 65 5 - 4.4-38.3 HB3 SER 107 - HG3 PRO 117 far 3 60 5 - 5.4-19.7 HA3 GLY 17 - HG3 PRO 58 far 0 54 0 - 5.9-36.7 HA3 GLY 111 - HG3 PRO 58 far 0 72 0 - 6.0-19.0 HA2 GLY 14 - HG3 PRO 113 far 0 87 0 - 6.4-46.9 HD3 PRO 113 - HG3 PRO 58 far 0 76 0 - 6.5-16.9 HD3 PRO 113 - HG3 PRO 117 far 0 88 0 - 6.6-15.0 HA LEU 100 - HG2 PRO 117 far 0 49 0 - 6.9-13.2 HB2 SER 60 - HG3 PRO 113 far 0 63 0 - 7.1-16.4 HA LEU 100 - HG3 PRO 117 far 0 49 0 - 7.3-14.8 HA3 GLY 14 - HG3 PRO 113 far 0 89 0 - 7.5-47.1 HB3 SER 60 - HG3 PRO 113 far 0 63 0 - 7.5-16.6 HD3 PRO 117 - HG3 PRO 113 far 0 90 0 - 7.6-13.3 HA2 GLY 111 - HG3 PRO 113 far 0 100 0 - 7.7-9.3 HA3 GLY 111 - HG3 PRO 113 far 0 98 0 - 7.7-9.4 HA LEU 100 - HG3 PRO 113 far 0 63 0 - 7.9-17.8 HA2 GLY 14 - HG3 PRO 58 far 0 60 0 - 8.4-38.0 HB2 SER 51 - HB2 GLN 127 far 0 80 0 - 8.6-12.4 HA3 GLY 14 - HG3 PRO 58 far 0 61 0 - 9.8-36.9 Violated in 0 structures by 0.00 A. Peak 3627 from aliabs.peaks (3.88, 3.88, 45.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 114 + HA2 GLY 114 OK 100 100 - 100 HA3 GLY 75 + HA3 GLY 75 OK 67 67 - 100 Peak 3628 from aliabs.peaks (4.12, 3.88, 45.18 ppm; 2.76 A): 1 out of 5 assignments used, quality = 1.00: * HA3 GLY 114 + HA2 GLY 114 OK 100 100 100 100 1.8-1.8 1.8=100 HA ILE 32 - HA3 GLY 75 far 0 60 0 - 6.0-21.6 HA CYS 79 - HA3 GLY 75 far 0 57 0 - 7.9-9.4 HA ILE 80 - HA3 GLY 75 far 0 73 0 - 8.9-10.5 HA ALA 52 - HA2 GLY 114 far 0 99 0 - 9.3-15.9 Violated in 0 structures by 0.00 A. Peak 3631 from aliabs.peaks (3.88, 4.12, 45.18 ppm; 2.67 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 114 + HA3 GLY 114 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HA3 GLY 114 far 0 68 0 - 5.7-10.1 HB3 SER 60 - HA3 GLY 114 far 0 68 0 - 7.1-17.8 HB2 SER 60 - HA3 GLY 114 far 0 68 0 - 7.7-17.4 Violated in 0 structures by 0.00 A. Peak 3632 from aliabs.peaks (4.12, 4.12, 45.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 114 + HA3 GLY 114 OK 100 100 - 100 Peak 3635 from aliabs.peaks (4.40, 4.40, 61.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 115 + HA THR 115 OK 100 100 - 100 Peak 3636 from aliabs.peaks (4.27, 4.40, 61.45 ppm; 2.98 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 115 + HA THR 115 OK 100 100 100 100 2.3-2.6 3.0=96, 2.1/3637=63...(13) HA ALA 109 - HA THR 115 far 0 100 0 - 7.6-15.7 HA ALA 110 - HA THR 115 far 0 96 0 - 7.9-15.8 HA ALA 108 - HA THR 115 far 0 100 0 - 9.4-18.4 Violated in 0 structures by 0.00 A. Peak 3637 from aliabs.peaks (1.13, 4.40, 61.45 ppm; 2.88 A): 1 out of 2 assignments used, quality = 0.99: * QG2 THR 115 + HA THR 115 OK 99 100 100 99 2.4-3.2 3.2=72, 2.1/3636=62...(14) HB3 LEU 62 - HA THR 115 far 0 92 0 - 9.5-15.4 Violated in 16 structures by 0.25 A. Peak 3640 from aliabs.peaks (4.40, 4.27, 69.62 ppm; 3.04 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 115 + HB THR 115 OK 100 100 100 100 2.3-2.6 3.0=100 HA VAL 112 - HB THR 115 far 0 83 0 - 5.0-7.7 Violated in 0 structures by 0.00 A. Peak 3641 from aliabs.peaks (4.27, 4.27, 69.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 115 + HB THR 115 OK 100 100 - 100 Peak 3642 from aliabs.peaks (1.13, 4.27, 69.62 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + HB THR 115 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3645 from aliabs.peaks (4.40, 1.13, 21.32 ppm; 2.83 A): 2 out of 5 assignments used, quality = 1.00: * HA THR 115 + QG2 THR 115 OK 100 100 100 100 2.4-3.2 3637=95, 3636/2.1=60...(15) HA VAL 112 + QG2 THR 115 OK 42 83 55 93 3.9-4.9 3.2/10194=42...(16) HA ASN 120 - QG2 THR 115 far 0 73 0 - 8.7-11.9 HA SER 107 - QG2 THR 115 far 0 97 0 - 8.8-13.7 HA THR 54 - QG2 THR 115 far 0 71 0 - 9.4-15.4 Violated in 16 structures by 0.22 A. Peak 3646 from aliabs.peaks (4.27, 1.13, 21.32 ppm; 2.66 A): 1 out of 11 assignments used, quality = 1.00: * HB THR 115 + QG2 THR 115 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 110 - QG2 THR 115 far 10 96 10 - 3.9-10.3 HA ALA 109 - QG2 THR 115 far 5 100 5 - 4.0-10.2 HA ALA 108 - QG2 THR 115 far 0 100 0 - 5.2-12.4 HA ALA 16 - QG2 THR 115 far 0 100 0 - 6.6-41.6 HA ALA 15 - QG2 THR 115 far 0 99 0 - 7.7-43.9 HA LYS 26 - QG2 THR 115 far 0 100 0 - 8.6-28.0 HA ALA 21 - QG2 THR 115 far 0 76 0 - 9.4-37.2 HA THR 18 - QG2 THR 115 far 0 98 0 - 9.6-40.8 HA GLN 61 - QG2 THR 115 far 0 99 0 - 9.9-16.7 HA GLN 27 - QG2 THR 115 far 0 71 0 - 10.0-26.1 Violated in 0 structures by 0.00 A. Peak 3647 from aliabs.peaks (1.13, 1.13, 21.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + QG2 THR 115 OK 100 100 - 100 Peak 3650 from aliabs.peaks (4.97, 4.97, 51.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HA ASN 116 OK 100 100 - 100 Peak 3651 from aliabs.peaks (2.85, 4.97, 51.55 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HA ASN 116 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 59 - HA ASN 116 far 4 73 5 - 4.8-16.5 Violated in 0 structures by 0.00 A. Peak 3652 from aliabs.peaks (2.93, 4.97, 51.55 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 116 + HA ASN 116 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 24 - HA ASN 116 far 0 93 0 - 9.5-38.4 Violated in 0 structures by 0.00 A. Peak 3656 from aliabs.peaks (4.97, 2.85, 38.65 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HB2 ASN 116 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3657 from aliabs.peaks (2.85, 2.85, 38.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 116 + HB2 ASN 116 OK 100 100 - 100 Peak 3658 from aliabs.peaks (2.93, 2.85, 38.65 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 116 + HB2 ASN 116 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 24 - HB2 ASN 116 far 0 93 0 - 8.8-36.0 HE2 LYS 24 - HB2 ASN 116 far 0 83 0 - 9.3-34.7 Violated in 0 structures by 0.00 A. Peak 3662 from aliabs.peaks (4.97, 2.93, 38.65 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HB3 ASN 116 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3663 from aliabs.peaks (2.85, 2.93, 38.65 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HB3 ASN 116 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 59 - HB3 ASN 116 far 4 73 5 - 4.0-15.7 Violated in 0 structures by 0.00 A. Peak 3664 from aliabs.peaks (2.93, 2.93, 38.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 116 + HB3 ASN 116 OK 100 100 - 100 Peak 3667 from aliabs.peaks (4.97, 3.86, 50.85 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HD2 PRO 117 OK 100 100 100 100 2.0-2.9 3668=97, 3670/1.8=70...(26) Violated in 0 structures by 0.00 A. Peak 3668 from aliabs.peaks (3.86, 4.97, 51.55 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 117 + HA ASN 116 OK 100 100 100 100 2.0-2.9 3667=100, 1.8/3670=77...(27) HA2 GLY 114 - HA ASN 116 far 0 68 0 - 5.7-7.7 HA LEU 62 - HA ASN 116 far 0 81 0 - 8.7-19.0 Violated in 0 structures by 0.00 A. Peak 3669 from aliabs.peaks (4.97, 3.95, 50.85 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 116 + HD3 PRO 117 OK 100 100 100 100 1.9-2.4 3670=100, 3667/1.8=74...(27) HA ASN 116 - HD3 PRO 113 far 0 73 0 - 7.2-11.1 Violated in 0 structures by 0.00 A. Peak 3670 from aliabs.peaks (3.95, 4.97, 51.55 ppm; 3.64 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 117 + HA ASN 116 OK 100 100 100 100 1.9-2.4 3669=100, 1.8/3667=79...(28) HA2 GLY 111 - HA ASN 116 far 0 81 0 - 5.2-13.5 HB3 SER 107 - HA ASN 116 far 0 99 0 - 5.6-17.1 HA3 GLY 111 - HA ASN 116 far 0 99 0 - 5.8-13.6 HD3 PRO 113 - HA ASN 116 far 0 90 0 - 7.2-11.1 HB3 SER 106 - HA ASN 116 far 0 65 0 - 7.5-17.2 HA LEU 100 - HA ASN 116 far 0 96 0 - 7.8-13.1 HB2 SER 106 - HA ASN 116 far 0 93 0 - 8.0-16.8 Violated in 0 structures by 0.00 A. Peak 3671 from aliabs.peaks (4.36, 3.86, 50.85 ppm; 4.17 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.6-4.1 3.6=100 HA PRO 113 - HD2 PRO 117 far 5 100 5 - 3.7-11.4 HA GLN 134 - HD2 PRO 81 far 5 92 5 - 5.6-9.2 HA CYS 73 - HD2 PRO 81 far 0 90 0 - 7.4-11.0 HA ASP 78 - HD2 PRO 81 far 0 78 0 - 8.1-8.7 HA SER 107 - HD2 PRO 117 far 0 71 0 - 8.3-17.6 Violated in 0 structures by 0.00 A. Peak 3672 from aliabs.peaks (2.36, 3.86, 50.85 ppm; 4.38 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.0-3.9 3.0=100 HB VAL 77 - HD2 PRO 81 far 0 82 0 - 7.3-9.1 HB3 GLN 134 - HD2 PRO 81 far 0 56 0 - 7.4-10.9 HG2 GLU 102 - HD2 PRO 117 far 0 57 0 - 7.7-13.7 Violated in 0 structures by 0.00 A. Peak 3673 from aliabs.peaks (2.01, 3.86, 50.85 ppm; 4.42 A): 3 out of 8 assignments used, quality = 1.00: * HB3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 3.0-4.0 3.0=100 HG2 PRO 81 + HD2 PRO 81 OK 98 98 100 100 2.3-3.0 2.3=100 HB2 PRO 81 + HD2 PRO 81 OK 35 35 100 100 3.0-4.0 3.0=100 HG3 ARG 135 - HD2 PRO 81 far 3 64 5 - 5.9-8.6 HG2 ARG 90 - HD2 PRO 81 far 0 86 0 - 7.0-12.3 HB2 GLN 134 - HD2 PRO 81 far 0 89 0 - 7.6-11.1 HB ILE 129 - HD2 PRO 81 far 0 97 0 - 8.3-11.4 HB3 GLU 40 - HD2 PRO 81 far 0 87 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 3674 from aliabs.peaks (2.05, 3.86, 50.85 ppm; 3.86 A): 5 out of 12 assignments used, quality = 1.00: * HG2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 81 + HD2 PRO 81 OK 98 98 100 100 2.3-2.7 2.3=100 HB2 PRO 81 + HD2 PRO 81 OK 67 67 100 100 3.0-4.0 3.0=100 HB VAL 118 + HD2 PRO 117 OK 23 93 25 98 4.5-6.4 11542/3.6=35...(21) HB3 LYS 39 - HD2 PRO 81 poor 15 61 25 - 3.7-9.9 HG3 ARG 135 - HD2 PRO 81 far 0 80 0 - 5.9-8.6 HG3 GLN 134 - HD2 PRO 81 far 0 66 0 - 6.5-10.6 HG2 ARG 90 - HD2 PRO 81 far 0 56 0 - 7.0-12.3 HG3 PRO 113 - HD2 PRO 117 far 0 99 0 - 7.5-13.6 HB2 GLU 102 - HD2 PRO 117 far 0 57 0 - 7.8-12.4 HB2 LEU 62 - HD2 PRO 117 far 0 99 0 - 9.4-18.0 Violated in 0 structures by 0.00 A. Peak 3675 from aliabs.peaks (2.05, 3.86, 50.85 ppm; 3.86 A): 5 out of 12 assignments used, quality = 1.00: HG2 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 81 + HD2 PRO 81 OK 98 98 100 100 2.3-2.7 2.3=100 HB2 PRO 81 + HD2 PRO 81 OK 67 67 100 100 3.0-4.0 3.0=100 HB VAL 118 + HD2 PRO 117 OK 23 93 25 98 4.5-6.4 11542/3.6=35...(21) HB3 LYS 39 - HD2 PRO 81 poor 15 61 25 - 3.7-9.9 HG3 ARG 135 - HD2 PRO 81 far 0 80 0 - 5.9-8.6 HG3 GLN 134 - HD2 PRO 81 far 0 66 0 - 6.5-10.6 HG2 ARG 90 - HD2 PRO 81 far 0 56 0 - 7.0-12.3 HG3 PRO 113 - HD2 PRO 117 far 0 99 0 - 7.5-13.6 HB2 GLU 102 - HD2 PRO 117 far 0 57 0 - 7.8-12.4 HB2 LEU 62 - HD2 PRO 117 far 0 99 0 - 9.4-18.0 Violated in 0 structures by 0.00 A. Peak 3676 from aliabs.peaks (3.86, 3.86, 50.85 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 117 + HD2 PRO 117 OK 100 100 - 100 HD2 PRO 81 + HD2 PRO 81 OK 97 97 - 100 Peak 3677 from aliabs.peaks (3.95, 3.86, 50.85 ppm; 3.16 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 117 + HD2 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 111 - HD2 PRO 117 far 5 99 5 - 4.4-15.8 HA2 GLY 111 - HD2 PRO 117 far 0 81 0 - 5.8-15.6 HD3 PRO 113 - HD2 PRO 117 far 0 90 0 - 6.3-13.2 HB3 SER 107 - HD2 PRO 117 far 0 99 0 - 6.8-19.0 HA LEU 100 - HD2 PRO 117 far 0 96 0 - 7.6-12.9 HB3 SER 106 - HD2 PRO 117 far 0 65 0 - 9.0-19.1 HB2 SER 106 - HD2 PRO 117 far 0 93 0 - 9.4-18.7 Violated in 0 structures by 0.00 A. Peak 3679 from aliabs.peaks (4.36, 3.95, 50.85 ppm; 5.19 A): 2 out of 6 assignments used, quality = 1.00: * HA PRO 117 + HD3 PRO 117 OK 100 100 100 100 3.6-4.1 3.6=100 HA PRO 113 + HD3 PRO 113 OK 73 73 100 100 3.6-3.6 3.6=100 HA PRO 113 - HD3 PRO 117 far 15 100 15 - 3.8-11.4 HA SER 107 - HD3 PRO 117 far 4 71 5 - 6.6-16.7 HA SER 107 - HD3 PRO 113 far 2 44 5 - 6.6-17.1 HA PRO 117 - HD3 PRO 113 far 0 73 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3680 from aliabs.peaks (2.36, 3.95, 50.85 ppm; 4.76 A): 1 out of 8 assignments used, quality = 1.00: * HB2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 3.0-4.0 3.0=100 HG2 GLU 102 - HD3 PRO 117 far 0 57 0 - 7.2-13.9 HB2 PRO 117 - HD3 PRO 113 far 0 73 0 - 7.8-15.1 HG3 GLU 55 - HD3 PRO 113 far 0 59 0 - 8.2-20.2 HG2 GLN 27 - HD3 PRO 113 far 0 63 0 - 8.7-31.6 HG3 GLN 27 - HD3 PRO 113 far 0 66 0 - 8.8-30.4 HG2 GLN 104 - HD3 PRO 113 far 0 46 0 - 9.6-19.3 HG2 GLN 104 - HD3 PRO 117 far 0 73 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 3681 from aliabs.peaks (2.01, 3.95, 50.85 ppm; 4.96 A): 1 out of 10 assignments used, quality = 1.00: * HB3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 3.9-4.0 3.0=100 HB3 PRO 56 - HD3 PRO 113 poor 14 71 20 - 2.2-16.0 HG2 PRO 56 - HD3 PRO 113 far 7 73 10 - 4.1-18.1 HG3 PRO 56 - HD3 PRO 113 far 4 72 5 - 3.5-17.7 HG2 PRO 58 - HD3 PRO 113 far 0 53 0 - 6.8-17.5 HB2 GLU 55 - HD3 PRO 113 far 0 60 0 - 7.1-19.3 QE MET 11 - HD3 PRO 113 far 0 52 0 - 8.1-45.5 HB3 PRO 117 - HD3 PRO 113 far 0 73 0 - 8.2-15.2 HB VAL 63 - HD3 PRO 113 far 0 62 0 - 8.3-15.7 HB3 LEU 53 - HD3 PRO 113 far 0 64 0 - 10.0-19.6 Violated in 0 structures by 0.00 A. Peak 3682 from aliabs.peaks (2.05, 3.95, 50.85 ppm; 3.84 A): 4 out of 16 assignments used, quality = 1.00: HG3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 * HG2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 113 + HD3 PRO 113 OK 71 71 100 100 2.3-2.3 2.3=100 HB VAL 118 + HD3 PRO 117 OK 67 93 75 96 4.1-6.2 11542/3.6=35, ~11590=32...(22) HG2 PRO 117 - HD3 PRO 113 far 0 73 0 - 5.7-15.0 HG3 PRO 58 - HD3 PRO 113 far 0 66 0 - 6.5-16.9 HG3 PRO 117 - HD3 PRO 113 far 0 73 0 - 6.6-15.0 HG2 PRO 58 - HD3 PRO 113 far 0 44 0 - 6.8-17.5 HB3 GLU 55 - HD3 PRO 113 far 0 68 0 - 6.9-19.1 HB2 LEU 62 - HD3 PRO 113 far 0 71 0 - 7.0-13.9 HB2 GLU 102 - HD3 PRO 117 far 0 57 0 - 7.1-14.0 HG3 PRO 113 - HD3 PRO 117 far 0 99 0 - 7.6-13.3 QE MET 11 - HD3 PRO 113 far 0 46 0 - 8.1-45.5 HB2 LEU 62 - HD3 PRO 117 far 0 99 0 - 8.2-18.7 HB VAL 118 - HD3 PRO 113 far 0 63 0 - 8.6-13.8 HB2 GLU 102 - HD3 PRO 113 far 0 35 0 - 9.0-20.4 Violated in 0 structures by 0.00 A. Peak 3683 from aliabs.peaks (2.05, 3.95, 50.85 ppm; 3.84 A): 4 out of 16 assignments used, quality = 1.00: * HG3 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 113 + HD3 PRO 113 OK 71 71 100 100 2.3-2.3 2.3=100 HB VAL 118 + HD3 PRO 117 OK 67 93 75 96 4.1-6.2 11542/3.6=35, ~11590=32...(22) HG2 PRO 117 - HD3 PRO 113 far 0 73 0 - 5.7-15.0 HG3 PRO 58 - HD3 PRO 113 far 0 66 0 - 6.5-16.9 HG3 PRO 117 - HD3 PRO 113 far 0 73 0 - 6.6-15.0 HG2 PRO 58 - HD3 PRO 113 far 0 44 0 - 6.8-17.5 HB3 GLU 55 - HD3 PRO 113 far 0 68 0 - 6.9-19.1 HB2 LEU 62 - HD3 PRO 113 far 0 71 0 - 7.0-13.9 HB2 GLU 102 - HD3 PRO 117 far 0 57 0 - 7.1-14.0 HG3 PRO 113 - HD3 PRO 117 far 0 99 0 - 7.6-13.3 QE MET 11 - HD3 PRO 113 far 0 46 0 - 8.1-45.5 HB2 LEU 62 - HD3 PRO 117 far 0 99 0 - 8.2-18.7 HB VAL 118 - HD3 PRO 113 far 0 63 0 - 8.6-13.8 HB2 GLU 102 - HD3 PRO 113 far 0 35 0 - 9.0-20.4 Violated in 0 structures by 0.00 A. Peak 3684 from aliabs.peaks (3.86, 3.95, 50.85 ppm; 3.31 A): 1 out of 6 assignments used, quality = 1.00: * HD2 PRO 117 + HD3 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 117 - HD3 PRO 113 far 0 73 0 - 6.3-13.2 HA2 GLY 114 - HD3 PRO 113 far 0 42 0 - 6.6-7.5 HA2 GLY 114 - HD3 PRO 117 far 0 68 0 - 6.7-9.4 HA LEU 62 - HD3 PRO 113 far 0 52 0 - 9.2-16.2 HA LEU 62 - HD3 PRO 117 far 0 81 0 - 10.0-20.2 Violated in 0 structures by 0.00 A. Peak 3685 from aliabs.peaks (3.95, 3.95, 50.85 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 117 + HD3 PRO 117 OK 100 100 - 100 HD3 PRO 113 + HD3 PRO 113 OK 60 60 - 100 Peak 3687 from aliabs.peaks (4.36, 4.36, 64.64 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: * HA PRO 117 + HA PRO 117 OK 95 95 - 100 HA CYS 73 + HA CYS 73 OK 48 48 - 100 Peak 3688 from aliabs.peaks (2.36, 4.36, 64.64 ppm; 3.22 A): 2 out of 3 assignments used, quality = 0.96: * HB2 PRO 117 + HA PRO 117 OK 95 95 100 100 2.3-2.7 2.3=100 HB VAL 77 + HA CYS 73 OK 22 42 70 73 4.1-5.2 3695=16, 11413/9955=15...(16) HG2 GLU 128 - HA CYS 73 far 0 44 0 - 8.6-13.9 Violated in 0 structures by 0.00 A. Peak 3689 from aliabs.peaks (2.01, 4.36, 64.64 ppm; 3.60 A): 1 out of 7 assignments used, quality = 0.95: * HB3 PRO 117 + HA PRO 117 OK 95 95 100 100 2.3-2.7 2.3=100 HB ILE 129 - HA CYS 73 far 5 55 10 - 4.9-6.9 HB3 GLU 30 - HA CYS 73 far 0 55 0 - 8.1-23.4 HB3 PRO 56 - HA PRO 117 far 0 93 0 - 8.8-18.6 HG2 ARG 90 - HA CYS 73 far 0 45 0 - 8.9-11.0 HG2 PRO 81 - HA CYS 73 far 0 56 0 - 9.3-13.4 HB3 LEU 53 - HA PRO 117 far 0 86 0 - 9.3-15.6 Violated in 0 structures by 0.00 A. Peak 3690 from aliabs.peaks (2.05, 4.36, 64.64 ppm; 3.82 A): 2 out of 9 assignments used, quality = 1.00: * HG2 PRO 117 + HA PRO 117 OK 94 95 100 99 3.9-4.0 3.8=98, 1.8/3711=23...(8) HG3 PRO 117 + HA PRO 117 OK 93 95 100 99 3.9-4.0 3.8=98, 1.8/3711=23...(7) HB VAL 118 - HA PRO 117 far 4 85 5 - 5.3-5.9 HB3 LYS 39 - HA CYS 73 far 0 30 0 - 7.7-11.3 HB2 LEU 62 - HA PRO 117 far 0 93 0 - 8.2-16.3 HG3 PRO 81 - HA CYS 73 far 0 55 0 - 8.8-13.1 HG2 ARG 90 - HA CYS 73 far 0 27 0 - 8.9-11.0 HG3 GLN 134 - HA CYS 73 far 0 33 0 - 9.4-12.8 HB2 GLU 102 - HA PRO 117 far 0 50 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 3691 from aliabs.peaks (2.05, 4.36, 64.64 ppm; 3.82 A): 2 out of 9 assignments used, quality = 1.00: HG2 PRO 117 + HA PRO 117 OK 94 95 100 99 3.9-4.0 3.8=98, 1.8/3711=23...(8) * HG3 PRO 117 + HA PRO 117 OK 93 95 100 99 3.9-4.0 3.8=98, 1.8/3711=23...(7) HB VAL 118 - HA PRO 117 far 4 85 5 - 5.3-5.9 HB3 LYS 39 - HA CYS 73 far 0 30 0 - 7.7-11.3 HB2 LEU 62 - HA PRO 117 far 0 93 0 - 8.2-16.3 HG3 PRO 81 - HA CYS 73 far 0 55 0 - 8.8-13.1 HG2 ARG 90 - HA CYS 73 far 0 27 0 - 8.9-11.0 HG3 GLN 134 - HA CYS 73 far 0 33 0 - 9.4-12.8 HB2 GLU 102 - HA PRO 117 far 0 50 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 3692 from aliabs.peaks (3.86, 4.36, 64.64 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.96: * HD2 PRO 117 + HA PRO 117 OK 95 95 100 100 3.6-4.1 3.6=100 HA LEU 70 + HA CYS 73 OK 24 33 80 93 4.8-6.1 6989/2.9=39, 2233/3.0=36...(17) HA2 GLY 114 - HA PRO 117 far 9 60 15 - 5.6-9.2 HD2 PRO 81 - HA CYS 73 far 0 55 0 - 7.4-11.0 HB3 SER 33 - HA CYS 73 far 0 40 0 - 8.5-18.4 HA GLU 40 - HA CYS 73 far 0 31 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 3693 from aliabs.peaks (3.95, 4.36, 64.64 ppm; 4.67 A): 1 out of 7 assignments used, quality = 0.95: * HD3 PRO 117 + HA PRO 117 OK 95 95 100 100 3.6-4.1 3.6=100 HA3 GLY 111 - HA PRO 117 far 5 92 5 - 4.3-17.0 HA2 GLY 111 - HA PRO 117 far 4 72 5 - 6.0-16.5 HB3 SER 107 - HA PRO 117 far 0 92 0 - 8.1-19.9 HA GLN 127 - HA CYS 73 far 0 45 0 - 8.4-11.0 HA LEU 100 - HA PRO 117 far 0 87 0 - 8.8-12.7 HD3 PRO 113 - HA PRO 117 far 0 82 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3695 from aliabs.peaks (4.36, 2.36, 31.74 ppm; 3.23 A): 1 out of 7 assignments used, quality = 1.00: * HA PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HA CYS 73 - HB VAL 77 poor 19 35 70 76 4.1-5.2 3688=19, 11125/4.5=18...(16) HA ASP 78 - HB VAL 77 far 0 28 0 - 5.4-5.6 HA PRO 113 - HB2 PRO 117 far 0 100 0 - 6.3-13.2 HA SER 9 - HB VAL 77 far 0 32 0 - 7.7-47.5 HA SER 107 - HB2 PRO 117 far 0 71 0 - 9.1-19.1 HA LEU 69 - HB VAL 77 far 0 32 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 3696 from aliabs.peaks (2.36, 2.36, 31.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 117 + HB2 PRO 117 OK 100 100 - 100 HB VAL 77 + HB VAL 77 OK 30 30 - 100 Peak 3697 from aliabs.peaks (2.01, 2.36, 31.74 ppm; 2.92 A): 1 out of 7 assignments used, quality = 1.00: * HB3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 90 - HB VAL 77 far 0 32 0 - 5.2-7.1 HB3 GLU 30 - HB VAL 77 far 0 40 0 - 6.1-27.7 HB ILE 129 - HB VAL 77 far 0 40 0 - 7.2-8.8 HB2 GLU 91 - HB VAL 77 far 0 36 0 - 8.3-10.1 HB3 GLU 91 - HB VAL 77 far 0 22 0 - 9.2-11.2 HG2 PRO 81 - HB VAL 77 far 0 40 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 3698 from aliabs.peaks (2.05, 2.36, 31.74 ppm; 3.40 A): 2 out of 8 assignments used, quality = 1.00: * HG2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 118 - HB2 PRO 117 far 0 93 0 - 5.7-6.9 HB2 GLU 102 - HB2 PRO 117 far 0 57 0 - 7.9-15.4 HB3 GLU 91 - HB VAL 77 far 0 29 0 - 9.2-11.2 HB3 LYS 39 - HB VAL 77 far 0 21 0 - 9.4-13.1 HG3 PRO 113 - HB2 PRO 117 far 0 99 0 - 9.5-14.5 HG3 PRO 81 - HB VAL 77 far 0 40 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3699 from aliabs.peaks (2.05, 2.36, 31.74 ppm; 3.40 A): 2 out of 8 assignments used, quality = 1.00: HG2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 118 - HB2 PRO 117 far 0 93 0 - 5.7-6.9 HB2 GLU 102 - HB2 PRO 117 far 0 57 0 - 7.9-15.4 HB3 GLU 91 - HB VAL 77 far 0 29 0 - 9.2-11.2 HB3 LYS 39 - HB VAL 77 far 0 21 0 - 9.4-13.1 HG3 PRO 113 - HB2 PRO 117 far 0 99 0 - 9.5-14.5 HG3 PRO 81 - HB VAL 77 far 0 40 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3700 from aliabs.peaks (3.86, 2.36, 31.74 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * HD2 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.0-3.9 3.0=100 HA2 GLY 114 - HB2 PRO 117 far 0 68 0 - 7.1-10.2 HD2 PRO 81 - HB VAL 77 far 0 40 0 - 7.3-9.1 HA LEU 70 - HB VAL 77 far 0 23 0 - 7.5-9.0 HB3 SER 33 - HB VAL 77 far 0 28 0 - 9.9-22.8 Violated in 0 structures by 0.00 A. Peak 3701 from aliabs.peaks (3.95, 2.36, 31.74 ppm; 4.28 A): 1 out of 8 assignments used, quality = 1.00: * HD3 PRO 117 + HB2 PRO 117 OK 100 100 100 100 3.0-4.0 3.0=100 HA3 GLY 111 - HB2 PRO 117 far 5 99 5 - 2.2-18.3 HA2 GLY 111 - HB2 PRO 117 far 4 81 5 - 3.9-17.9 HD3 PRO 113 - HB2 PRO 117 far 0 90 0 - 7.8-15.1 HA GLU 91 - HB VAL 77 far 0 27 0 - 7.9-9.5 HA LEU 100 - HB2 PRO 117 far 0 96 0 - 8.2-14.5 HB3 SER 107 - HB2 PRO 117 far 0 99 0 - 8.3-20.8 HB3 SER 94 - HB VAL 77 far 0 28 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 3703 from aliabs.peaks (4.36, 2.01, 31.74 ppm; 3.52 A): 1 out of 5 assignments used, quality = 1.00: * HA PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HA SER 107 - HB VAL 63 poor 6 28 20 - 1.9-11.0 HA PRO 113 - HB3 PRO 117 far 0 100 0 - 7.0-13.7 HA SER 107 - HB3 PRO 117 far 0 71 0 - 7.9-18.6 HA PRO 113 - HB VAL 63 far 0 49 0 - 8.2-13.6 Violated in 0 structures by 0.00 A. Peak 3704 from aliabs.peaks (2.36, 2.01, 31.74 ppm; 3.05 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 104 - HB VAL 63 poor 7 30 25 - 2.9-7.0 HG3 GLN 27 - HB VAL 63 far 4 43 10 - 2.3-19.7 HG2 GLN 27 - HB VAL 63 far 4 41 10 - 2.1-20.9 HG2 GLU 102 - HB3 PRO 117 far 0 57 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 3705 from aliabs.peaks (2.01, 2.01, 31.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 117 + HB3 PRO 117 OK 100 100 - 100 HB VAL 63 + HB VAL 63 OK 40 40 - 100 Peak 3706 from aliabs.peaks (2.05, 2.01, 31.74 ppm; 4.74 A): 4 out of 11 assignments used, quality = 1.00: HG3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 * HG2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 118 + HB3 PRO 117 OK 84 93 90 100 5.2-6.7 2.1/11590=89...(18) HB2 LEU 62 + HB VAL 63 OK 38 48 80 100 4.8-6.4 ~11012=66, 6806/4.0=61...(27) HB3 GLN 27 - HB VAL 63 far 4 43 10 - 3.6-18.3 HB VAL 118 - HB VAL 63 far 0 41 0 - 7.1-15.4 HG3 PRO 58 - HB VAL 63 far 0 43 0 - 7.2-9.2 HG3 PRO 113 - HB VAL 63 far 0 48 0 - 7.5-16.6 HG2 PRO 58 - HB VAL 63 far 0 28 0 - 7.6-9.6 QE MET 11 - HB VAL 63 far 0 30 0 - 7.7-38.1 HB2 GLU 102 - HB3 PRO 117 far 0 57 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 3707 from aliabs.peaks (2.05, 2.01, 31.74 ppm; 4.74 A): 4 out of 11 assignments used, quality = 1.00: * HG3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB VAL 118 + HB3 PRO 117 OK 84 93 90 100 5.2-6.7 2.1/11590=89...(18) HB2 LEU 62 + HB VAL 63 OK 38 48 80 100 4.8-6.4 ~11012=66, 6806/4.0=61...(27) HB3 GLN 27 - HB VAL 63 far 4 43 10 - 3.6-18.3 HB VAL 118 - HB VAL 63 far 0 41 0 - 7.1-15.4 HG3 PRO 58 - HB VAL 63 far 0 43 0 - 7.2-9.2 HG3 PRO 113 - HB VAL 63 far 0 48 0 - 7.5-16.6 HG2 PRO 58 - HB VAL 63 far 0 28 0 - 7.6-9.6 QE MET 11 - HB VAL 63 far 0 30 0 - 7.7-38.1 HB2 GLU 102 - HB3 PRO 117 far 0 57 0 - 8.9-14.6 Violated in 0 structures by 0.00 A. Peak 3708 from aliabs.peaks (3.86, 2.01, 31.74 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * HD2 PRO 117 + HB3 PRO 117 OK 100 100 100 100 3.0-4.0 3.0=100 HA LEU 62 - HB VAL 63 far 0 33 0 - 5.6-5.9 HA2 GLY 114 - HB VAL 63 far 0 27 0 - 7.7-16.2 HA2 GLY 114 - HB3 PRO 117 far 0 68 0 - 8.2-11.2 HA LEU 123 - HB VAL 63 far 0 48 0 - 9.6-13.7 Violated in 5 structures by 0.01 A. Peak 3709 from aliabs.peaks (3.95, 2.01, 31.74 ppm; 4.16 A): 1 out of 14 assignments used, quality = 1.00: * HD3 PRO 117 + HB3 PRO 117 OK 100 100 100 100 3.9-4.0 3.0=100 HA3 GLY 111 - HB3 PRO 117 far 5 99 5 - 2.3-18.9 HB3 SER 107 - HB VAL 63 far 5 47 10 - 3.8-10.6 HB2 SER 106 - HB VAL 63 far 4 41 10 - 4.3-13.4 HA2 GLY 111 - HB3 PRO 117 far 4 81 5 - 3.9-18.6 HA2 GLY 111 - HB VAL 63 far 3 33 10 - 3.8-18.1 HA3 GLY 111 - HB VAL 63 far 2 47 5 - 5.5-16.8 HB3 SER 106 - HB VAL 63 far 1 26 5 - 5.3-13.5 HA LEU 100 - HB VAL 63 far 0 43 0 - 7.0-8.4 HB3 SER 107 - HB3 PRO 117 far 0 99 0 - 7.2-20.1 HA THR 65 - HB VAL 63 far 0 37 0 - 7.5-8.0 HD3 PRO 113 - HB3 PRO 117 far 0 90 0 - 8.2-15.2 HA LEU 100 - HB3 PRO 117 far 0 96 0 - 8.3-13.5 HD3 PRO 113 - HB VAL 63 far 0 39 0 - 8.3-15.7 Violated in 0 structures by 0.00 A. Peak 3711 from aliabs.peaks (4.36, 2.05, 27.30 ppm; 3.82 A): 4 out of 12 assignments used, quality = 1.00: * HA PRO 117 + HG2 PRO 117 OK 99 100 100 99 3.9-4.0 3.8=97, 3690/1.8=37...(8) HA PRO 117 + HG3 PRO 117 OK 99 100 100 99 3.9-4.0 3.8=97, 3690/1.8=37...(8) HA PRO 113 + HG3 PRO 113 OK 87 88 100 100 4.0-4.0 3.8=97, 7591/7595=51...(5) HA GLN 134 + HG3 PRO 81 OK 32 96 85 39 4.2-9.5 11759/10575=10...(9) HA GLN 134 - HG3 ARG 135 poor 20 56 35 - 5.1-6.4 HA PRO 113 - HG2 PRO 117 far 5 100 5 - 4.5-13.4 HA PRO 113 - HG3 PRO 117 far 5 100 5 - 5.2-13.4 HA SER 107 - HG2 PRO 117 far 0 71 0 - 6.3-18.7 HA SER 107 - HG3 PRO 117 far 0 71 0 - 7.2-18.5 HA SER 107 - HG3 PRO 113 far 0 56 0 - 7.4-18.9 HA CYS 73 - HG3 PRO 81 far 0 94 0 - 8.8-13.1 HA ASP 78 - HG3 PRO 81 far 0 82 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 3712 from aliabs.peaks (2.36, 2.05, 27.30 ppm; 3.66 A): 2 out of 10 assignments used, quality = 1.00: * HB2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 GLN 134 - HG3 ARG 135 far 0 30 0 - 5.2-8.2 HB3 GLN 134 - HG3 PRO 81 far 0 60 0 - 6.3-11.4 HG3 GLU 55 - HG3 PRO 113 far 0 72 0 - 6.8-20.6 HG2 GLU 102 - HG2 PRO 117 far 0 57 0 - 7.5-12.7 HG2 GLU 102 - HG3 PRO 117 far 0 57 0 - 8.0-14.2 HG2 GLU 128 - HG3 ARG 135 far 0 48 0 - 8.5-12.4 HB2 PRO 117 - HG3 PRO 113 far 0 88 0 - 9.5-14.5 HB VAL 77 - HG3 PRO 81 far 0 86 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3713 from aliabs.peaks (2.01, 2.05, 27.30 ppm; 4.74 A): 5 out of 20 assignments used, quality = 1.00: * HB3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 134 + HG3 ARG 135 OK 46 52 95 92 3.5-7.3 4.4/4336=29, 4309/4.2=18...(20) HB2 PRO 81 + HG3 PRO 81 OK 38 38 100 100 2.3-3.0 2.3=100 HB3 PRO 56 - HG3 PRO 113 poor 17 86 20 - 3.7-15.7 HG2 PRO 81 - HG3 ARG 135 poor 17 61 60 46 4.6-7.5 ~10147=10, ~10147=9...(13) HG3 ARG 135 - HG3 PRO 81 poor 13 68 45 43 4.3-8.0 3.0/10147=10, 2.9/4325=6...(14) HG2 PRO 56 - HG3 PRO 113 far 9 88 10 - 4.8-18.0 HG3 PRO 56 - HG3 PRO 113 far 9 87 10 - 3.4-17.6 HB2 GLN 134 - HG3 PRO 81 far 5 93 5 - 6.1-11.4 HB2 GLU 55 - HG3 PRO 113 far 4 74 5 - 5.6-19.7 HG2 PRO 58 - HG3 PRO 113 far 3 66 5 - 6.2-16.9 HB VAL 63 - HG3 PRO 113 far 0 76 0 - 7.5-16.6 HB3 GLU 40 - HG3 PRO 81 far 0 91 0 - 7.7-16.9 QE MET 11 - HG3 PRO 113 far 0 64 0 - 8.2-44.5 HB3 LEU 53 - HG3 PRO 113 far 0 79 0 - 8.4-19.5 HB ILE 129 - HG3 PRO 81 far 0 100 0 - 8.9-13.1 HB ILE 129 - HG3 ARG 135 far 0 61 0 - 9.2-12.4 HG2 ARG 90 - HG3 PRO 81 far 0 90 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 3714 from aliabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 86 86 - 100 HG3 ARG 135 + HG3 ARG 135 OK 46 46 - 100 Peak 3715 from aliabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 86 86 - 100 HG3 ARG 135 + HG3 ARG 135 OK 46 46 - 100 Reference assignment not found: HG3 PRO 117 - HG2 PRO 117 Peak 3716 from aliabs.peaks (3.86, 2.05, 27.30 ppm; 3.84 A): 3 out of 11 assignments used, quality = 1.00: HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 * HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 81 - HG3 ARG 135 far 0 61 0 - 5.9-8.6 HA2 GLY 114 - HG3 PRO 113 far 0 53 0 - 6.0-6.9 HA GLU 40 - HG3 PRO 81 far 0 68 0 - 7.1-15.0 HD2 PRO 117 - HG3 PRO 113 far 0 88 0 - 7.5-13.6 HA2 GLY 114 - HG2 PRO 117 far 0 68 0 - 8.0-11.1 HA2 GLY 114 - HG3 PRO 117 far 0 68 0 - 8.2-11.0 HA LEU 62 - HG3 PRO 113 far 0 64 0 - 8.4-16.7 HA GLU 40 - HG3 ARG 135 far 0 35 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 3717 from aliabs.peaks (3.95, 2.05, 27.30 ppm; 3.66 A): 3 out of 24 assignments used, quality = 1.00: HD3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 * HD3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 113 + HG3 PRO 113 OK 74 74 100 100 2.3-2.3 2.3=100 HA3 GLY 111 - HG2 PRO 117 far 5 99 5 - 2.5-17.9 HA3 GLY 111 - HG3 PRO 117 far 5 99 5 - 3.4-17.8 HA2 GLY 111 - HG2 PRO 117 far 4 81 5 - 3.8-17.8 HA2 GLY 111 - HG3 PRO 117 far 4 81 5 - 4.8-17.6 HB3 SER 107 - HG2 PRO 117 far 0 99 0 - 5.3-19.9 HB3 SER 107 - HG3 PRO 117 far 0 99 0 - 5.4-19.7 HB3 SER 107 - HG3 PRO 113 far 0 85 0 - 5.4-20.5 HD3 PRO 113 - HG2 PRO 117 far 0 90 0 - 5.7-15.0 HD3 PRO 113 - HG3 PRO 117 far 0 90 0 - 6.6-15.0 HA LEU 100 - HG2 PRO 117 far 0 96 0 - 6.9-13.2 HA LEU 100 - HG3 PRO 117 far 0 96 0 - 7.3-14.8 HD3 PRO 117 - HG3 PRO 113 far 0 88 0 - 7.6-13.3 HA2 GLY 111 - HG3 PRO 113 far 0 64 0 - 7.7-9.3 HA3 GLY 111 - HG3 PRO 113 far 0 85 0 - 7.7-9.4 HA LEU 100 - HG3 PRO 113 far 0 80 0 - 7.9-17.8 HB2 SER 106 - HG2 PRO 117 far 0 93 0 - 8.7-19.0 HB3 SER 106 - HG2 PRO 117 far 0 65 0 - 8.8-19.7 HB3 SER 106 - HG3 PRO 113 far 0 51 0 - 9.0-20.8 HB2 SER 106 - HG3 PRO 113 far 0 77 0 - 9.1-20.9 HB2 SER 106 - HG3 PRO 117 far 0 93 0 - 9.1-19.4 HB3 SER 106 - HG3 PRO 117 far 0 65 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 3719 from aliabs.peaks (4.36, 2.05, 27.30 ppm; 3.82 A): 4 out of 12 assignments used, quality = 1.00: HA PRO 117 + HG2 PRO 117 OK 99 100 100 99 3.9-4.0 3.8=97, 3690/1.8=37...(8) * HA PRO 117 + HG3 PRO 117 OK 99 100 100 99 3.9-4.0 3.8=97, 3690/1.8=37...(8) HA PRO 113 + HG3 PRO 113 OK 87 88 100 100 4.0-4.0 3.8=97, 7591/7595=51...(5) HA GLN 134 + HG3 PRO 81 OK 32 96 85 39 4.2-9.5 11759/10575=10...(9) HA GLN 134 - HG3 ARG 135 poor 20 56 35 - 5.1-6.4 HA PRO 113 - HG2 PRO 117 far 5 100 5 - 4.5-13.4 HA PRO 113 - HG3 PRO 117 far 5 100 5 - 5.2-13.4 HA SER 107 - HG2 PRO 117 far 0 71 0 - 6.3-18.7 HA SER 107 - HG3 PRO 117 far 0 71 0 - 7.2-18.5 HA SER 107 - HG3 PRO 113 far 0 56 0 - 7.4-18.9 HA CYS 73 - HG3 PRO 81 far 0 94 0 - 8.8-13.1 HA ASP 78 - HG3 PRO 81 far 0 82 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 3720 from aliabs.peaks (2.36, 2.05, 27.30 ppm; 3.66 A): 2 out of 10 assignments used, quality = 1.00: HB2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 * HB2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 GLN 134 - HG3 ARG 135 far 0 30 0 - 5.2-8.2 HB3 GLN 134 - HG3 PRO 81 far 0 60 0 - 6.3-11.4 HG3 GLU 55 - HG3 PRO 113 far 0 72 0 - 6.8-20.6 HG2 GLU 102 - HG2 PRO 117 far 0 57 0 - 7.5-12.7 HG2 GLU 102 - HG3 PRO 117 far 0 57 0 - 8.0-14.2 HG2 GLU 128 - HG3 ARG 135 far 0 48 0 - 8.5-12.4 HB2 PRO 117 - HG3 PRO 113 far 0 88 0 - 9.5-14.5 HB VAL 77 - HG3 PRO 81 far 0 86 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 3721 from aliabs.peaks (2.01, 2.05, 27.30 ppm; 4.74 A): 5 out of 20 assignments used, quality = 1.00: HB3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 * HB3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 134 + HG3 ARG 135 OK 46 52 95 92 3.5-7.3 4.4/4336=29, 4309/4.2=18...(20) HB2 PRO 81 + HG3 PRO 81 OK 38 38 100 100 2.3-3.0 2.3=100 HB3 PRO 56 - HG3 PRO 113 poor 17 86 20 - 3.7-15.7 HG2 PRO 81 - HG3 ARG 135 poor 17 61 60 46 4.6-7.5 ~10147=10, ~10147=9...(13) HG3 ARG 135 - HG3 PRO 81 poor 13 68 45 43 4.3-8.0 3.0/10147=10, 2.9/4325=6...(14) HG2 PRO 56 - HG3 PRO 113 far 9 88 10 - 4.8-18.0 HG3 PRO 56 - HG3 PRO 113 far 9 87 10 - 3.4-17.6 HB2 GLN 134 - HG3 PRO 81 far 5 93 5 - 6.1-11.4 HB2 GLU 55 - HG3 PRO 113 far 4 74 5 - 5.6-19.7 HG2 PRO 58 - HG3 PRO 113 far 3 66 5 - 6.2-16.9 HB VAL 63 - HG3 PRO 113 far 0 76 0 - 7.5-16.6 HB3 GLU 40 - HG3 PRO 81 far 0 91 0 - 7.7-16.9 QE MET 11 - HG3 PRO 113 far 0 64 0 - 8.2-44.5 HB3 LEU 53 - HG3 PRO 113 far 0 79 0 - 8.4-19.5 HB ILE 129 - HG3 PRO 81 far 0 100 0 - 8.9-13.1 HB ILE 129 - HG3 ARG 135 far 0 61 0 - 9.2-12.4 HG2 ARG 90 - HG3 PRO 81 far 0 90 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 3722 from aliabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 86 86 - 100 HG3 ARG 135 + HG3 ARG 135 OK 46 46 - 100 Reference assignment not found: HG2 PRO 117 - HG3 PRO 117 Peak 3723 from aliabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 * HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 86 86 - 100 HG3 ARG 135 + HG3 ARG 135 OK 46 46 - 100 Peak 3724 from aliabs.peaks (3.86, 2.05, 27.30 ppm; 3.84 A): 3 out of 11 assignments used, quality = 1.00: * HD2 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 PRO 81 - HG3 ARG 135 far 0 61 0 - 5.9-8.6 HA2 GLY 114 - HG3 PRO 113 far 0 53 0 - 6.0-6.9 HA GLU 40 - HG3 PRO 81 far 0 68 0 - 7.1-15.0 HD2 PRO 117 - HG3 PRO 113 far 0 88 0 - 7.5-13.6 HA2 GLY 114 - HG2 PRO 117 far 0 68 0 - 8.0-11.1 HA2 GLY 114 - HG3 PRO 117 far 0 68 0 - 8.2-11.0 HA LEU 62 - HG3 PRO 113 far 0 64 0 - 8.4-16.7 HA GLU 40 - HG3 ARG 135 far 0 35 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 3725 from aliabs.peaks (3.95, 2.05, 27.30 ppm; 3.66 A): 3 out of 24 assignments used, quality = 1.00: * HD3 PRO 117 + HG3 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 117 + HG2 PRO 117 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 113 + HG3 PRO 113 OK 74 74 100 100 2.3-2.3 2.3=100 HA3 GLY 111 - HG2 PRO 117 far 5 99 5 - 2.5-17.9 HA3 GLY 111 - HG3 PRO 117 far 5 99 5 - 3.4-17.8 HA2 GLY 111 - HG2 PRO 117 far 4 81 5 - 3.8-17.8 HA2 GLY 111 - HG3 PRO 117 far 4 81 5 - 4.8-17.6 HB3 SER 107 - HG2 PRO 117 far 0 99 0 - 5.3-19.9 HB3 SER 107 - HG3 PRO 117 far 0 99 0 - 5.4-19.7 HB3 SER 107 - HG3 PRO 113 far 0 85 0 - 5.4-20.5 HD3 PRO 113 - HG2 PRO 117 far 0 90 0 - 5.7-15.0 HD3 PRO 113 - HG3 PRO 117 far 0 90 0 - 6.6-15.0 HA LEU 100 - HG2 PRO 117 far 0 96 0 - 6.9-13.2 HA LEU 100 - HG3 PRO 117 far 0 96 0 - 7.3-14.8 HD3 PRO 117 - HG3 PRO 113 far 0 88 0 - 7.6-13.3 HA2 GLY 111 - HG3 PRO 113 far 0 64 0 - 7.7-9.3 HA3 GLY 111 - HG3 PRO 113 far 0 85 0 - 7.7-9.4 HA LEU 100 - HG3 PRO 113 far 0 80 0 - 7.9-17.8 HB2 SER 106 - HG2 PRO 117 far 0 93 0 - 8.7-19.0 HB3 SER 106 - HG2 PRO 117 far 0 65 0 - 8.8-19.7 HB3 SER 106 - HG3 PRO 113 far 0 51 0 - 9.0-20.8 HB2 SER 106 - HG3 PRO 113 far 0 77 0 - 9.1-20.9 HB2 SER 106 - HG3 PRO 117 far 0 93 0 - 9.1-19.4 HB3 SER 106 - HG3 PRO 117 far 0 65 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 3728 from aliabs.peaks (3.81, 3.81, 64.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + HA VAL 118 OK 100 100 - 100 Peak 3729 from aliabs.peaks (2.06, 3.81, 64.89 ppm; 3.70 A): 3 out of 5 assignments used, quality = 1.00: * HB VAL 118 + HA VAL 118 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 117 + HA VAL 118 OK 64 93 70 98 4.0-5.8 ~11590=25, ~7637=24...(39) HG3 PRO 117 + HA VAL 118 OK 27 93 30 97 4.0-6.1 ~11590=25, ~7637=24...(38) HB2 GLU 102 - HA VAL 118 far 0 90 0 - 6.6-11.2 HB2 LEU 62 - HA VAL 118 far 0 99 0 - 8.7-14.9 Violated in 0 structures by 0.00 A. Peak 3730 from aliabs.peaks (0.89, 3.81, 64.89 ppm; 3.32 A): 1 out of 7 assignments used, quality = 1.00: * QG1 VAL 118 + HA VAL 118 OK 100 100 100 100 2.3-2.7 3.2=100 QD1 LEU 62 - HA VAL 118 far 8 83 10 - 4.4-11.3 QD2 LEU 98 - HA VAL 118 far 5 97 5 - 4.7-9.7 QG2 VAL 63 - HA VAL 118 far 0 89 0 - 6.0-11.9 QD2 LEU 123 - HA VAL 118 far 0 97 0 - 6.0-8.9 QD1 LEU 49 - HA VAL 118 far 0 85 0 - 8.4-11.5 QD2 LEU 69 - HA VAL 118 far 0 65 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 3731 from aliabs.peaks (1.00, 3.81, 64.89 ppm; 3.15 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + HA VAL 118 OK 100 100 100 100 2.0-2.5 3749=100, 7642/2.8=50...(22) QD1 LEU 69 - HA VAL 118 far 0 100 0 - 8.4-13.5 QG2 VAL 105 - HA VAL 118 far 0 100 0 - 8.5-12.1 Violated in 0 structures by 0.00 A. Peak 3734 from aliabs.peaks (2.80, 3.81, 64.89 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA VAL 118 OK 100 100 100 100 2.5-3.7 3839=92, 1.8/3735=75...(37) HB2 ASN 120 + HA VAL 118 OK 43 100 50 85 4.9-7.3 4.4/7689=38, 3.8/7661=29...(18) HB3 ASN 120 - HA VAL 118 far 0 100 0 - 5.6-7.1 Violated in 0 structures by 0.00 A. Peak 3735 from aliabs.peaks (2.98, 3.81, 64.89 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 121 + HA VAL 118 OK 100 100 100 100 1.7-2.1 3847=89, 1.8/3839=71...(35) HE2 LYS 24 - HA VAL 118 far 0 73 0 - 6.6-33.9 Violated in 0 structures by 0.00 A. Peak 3737 from aliabs.peaks (3.81, 2.06, 31.39 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 118 + HB VAL 118 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 62 - HB VAL 118 far 0 57 0 - 7.3-15.8 Violated in 0 structures by 0.00 A. Peak 3738 from aliabs.peaks (2.06, 2.06, 31.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 118 + HB VAL 118 OK 100 100 - 100 Peak 3739 from aliabs.peaks (0.89, 2.06, 31.39 ppm; 2.94 A): 2 out of 8 assignments used, quality = 1.00: * QG1 VAL 118 + HB VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 + HB VAL 118 OK 26 83 70 44 2.6-10.5 2007=13, 7649/3741=7...(14) QG2 VAL 63 - HB VAL 118 far 4 89 5 - 4.1-10.8 QD2 LEU 98 - HB VAL 118 far 0 97 0 - 5.2-10.3 QD2 LEU 123 - HB VAL 118 far 0 97 0 - 5.7-9.5 QD1 LEU 49 - HB VAL 118 far 0 85 0 - 8.1-12.4 QD2 LEU 69 - HB VAL 118 far 0 65 0 - 8.8-14.4 QG2 VAL 20 - HB VAL 118 far 0 100 0 - 9.9-31.6 Violated in 0 structures by 0.00 A. Peak 3740 from aliabs.peaks (1.00, 2.06, 31.39 ppm; 2.97 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + HB VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 105 - HB VAL 118 far 0 100 0 - 6.6-9.8 QD1 LEU 69 - HB VAL 118 far 0 100 0 - 9.2-13.6 Violated in 0 structures by 0.00 A. Peak 3743 from aliabs.peaks (3.81, 0.89, 21.66 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.3-2.7 3.2=100 HA LEU 62 - QG1 VAL 118 far 0 57 0 - 5.3-12.1 HB2 SER 50 - QG1 VAL 118 far 0 85 0 - 8.6-13.1 Violated in 0 structures by 0.00 A. Peak 3744 from aliabs.peaks (2.06, 0.89, 21.66 ppm; 2.92 A): 1 out of 12 assignments used, quality = 1.00: * HB VAL 118 + QG1 VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 117 - QG1 VAL 118 far 0 93 0 - 4.9-7.1 HB2 LEU 62 - QG1 VAL 118 far 0 99 0 - 5.0-11.4 HB2 GLU 102 - QG1 VAL 118 far 0 90 0 - 5.1-8.1 HG3 PRO 117 - QG1 VAL 118 far 0 93 0 - 5.3-7.4 HB3 GLN 27 - QG1 VAL 118 far 0 100 0 - 7.0-19.4 HB2 GLN 127 - QG1 VAL 118 far 0 89 0 - 8.1-12.0 HB VAL 57 - QG1 VAL 118 far 0 73 0 - 8.5-14.5 HG3 PRO 113 - QG1 VAL 118 far 0 99 0 - 8.5-13.5 HB3 GLU 55 - QG1 VAL 118 far 0 73 0 - 9.4-16.4 HB2 GLU 128 - QG1 VAL 118 far 0 92 0 - 9.4-12.5 HG3 PRO 58 - QG1 VAL 118 far 0 100 0 - 9.7-15.8 Violated in 0 structures by 0.00 A. Peak 3745 from aliabs.peaks (0.89, 0.89, 21.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 118 + QG1 VAL 118 OK 100 100 - 100 Peak 3746 from aliabs.peaks (1.00, 0.89, 21.66 ppm; 2.63 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + QG1 VAL 118 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 105 - QG1 VAL 118 far 0 100 0 - 5.7-8.4 QD1 LEU 69 - QG1 VAL 118 far 0 100 0 - 6.0-9.8 Violated in 0 structures by 0.00 A. Peak 3749 from aliabs.peaks (3.81, 1.00, 22.19 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.99: * HA VAL 118 + QG2 VAL 118 OK 99 100 100 99 2.0-2.5 3731=88, 2.8/7642=46...(20) HA LEU 62 - QG2 VAL 118 far 0 57 0 - 7.7-14.7 Violated in 0 structures by 0.00 A. Peak 3750 from aliabs.peaks (2.06, 1.00, 22.19 ppm; 2.66 A): 3 out of 7 assignments used, quality = 1.00: * HB VAL 118 + QG2 VAL 118 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 117 + QG2 VAL 118 OK 48 93 70 73 2.4-5.0 2.3/11590=28...(22) HG3 PRO 117 + QG2 VAL 118 OK 24 93 35 73 3.0-5.4 2.3/11590=28...(24) HB2 GLU 102 - QG2 VAL 118 far 9 90 10 - 3.8-8.1 HB2 LEU 62 - QG2 VAL 118 far 0 99 0 - 7.2-13.8 HB3 GLN 27 - QG2 VAL 118 far 0 100 0 - 8.2-21.7 HG3 PRO 113 - QG2 VAL 118 far 0 99 0 - 8.2-13.1 Violated in 0 structures by 0.00 A. Peak 3751 from aliabs.peaks (0.89, 1.00, 22.19 ppm; 2.50 A): 1 out of 12 assignments used, quality = 1.00: * QG1 VAL 118 + QG2 VAL 118 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 - QG2 VAL 118 far 8 83 10 - 3.9-10.2 QD2 LEU 98 - QG2 VAL 118 far 5 97 5 - 3.9-7.1 QG2 VAL 63 - QG2 VAL 118 far 0 89 0 - 4.2-10.3 QD2 LEU 123 - QG2 VAL 118 far 0 97 0 - 5.8-9.0 QD2 LEU 69 - QG2 VAL 118 far 0 65 0 - 7.3-12.6 QD1 LEU 49 - QG2 VAL 118 far 0 85 0 - 7.6-11.1 QD1 LEU 22 - QG2 VAL 118 far 0 99 0 - 8.1-26.3 QG2 VAL 20 - QG2 VAL 118 far 0 100 0 - 8.3-27.1 QG1 VAL 20 - QG2 VAL 118 far 0 92 0 - 9.3-29.2 QD1 LEU 48 - QG2 VAL 118 far 0 90 0 - 9.5-15.7 QD2 LEU 48 - QG2 VAL 118 far 0 100 0 - 9.8-15.2 Violated in 0 structures by 0.00 A. Peak 3752 from aliabs.peaks (1.00, 1.00, 22.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 118 + QG2 VAL 118 OK 100 100 - 100 Peak 3755 from aliabs.peaks (4.03, 4.03, 57.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 119 + HA LEU 119 OK 100 100 - 100 Peak 3756 from aliabs.peaks (1.54, 4.03, 57.80 ppm; 4.52 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.2-2.9 2.9=100 HG LEU 123 + HA LEU 119 OK 76 81 95 99 2.5-7.1 3.0/3764=44, 3389=29...(32) HB2 LEU 53 + HA LEU 119 OK 39 73 55 97 2.0-9.8 3.1/11845=41...(36) HG LEU 103 - HA LEU 119 far 14 93 15 - 5.4-9.2 HG LEU 49 - HA LEU 119 far 0 65 0 - 8.5-13.3 Violated in 0 structures by 0.00 A. Peak 3757 from aliabs.peaks (1.87, 4.03, 57.80 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HA LEU 119 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 LEU 123 + HA LEU 119 OK 86 99 90 96 3.5-6.9 3927/4.9=34, 3768/2.9=27...(30) Violated in 0 structures by 0.00 A. Peak 3758 from aliabs.peaks (1.62, 4.03, 57.80 ppm; 4.64 A): 5 out of 8 assignments used, quality = 1.00: * HG LEU 119 + HA LEU 119 OK 100 100 100 100 2.4-4.1 3.7=100 HB2 LEU 122 + HA LEU 119 OK 94 95 100 99 3.1-5.9 1.8/3764=88, 3.5/3762=44...(20) HG LEU 122 + HA LEU 119 OK 83 89 95 99 3.4-6.2 3.0/3764=72...(21) HG LEU 62 + HA LEU 119 OK 65 76 90 96 1.7-8.4 2.1/10954=51...(22) HB2 LEU 123 + HA LEU 119 OK 65 65 100 99 2.4-6.0 1.8/3764=57...(30) HB2 LEU 98 - HA LEU 119 far 0 73 0 - 8.4-13.8 HG LEU 70 - HA LEU 119 far 0 97 0 - 9.3-13.1 HB2 LEU 69 - HA LEU 119 far 0 63 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 3759 from aliabs.peaks (0.79, 4.03, 57.80 ppm; 3.27 A): 4 out of 10 assignments used, quality = 1.00: * QD2 LEU 119 + HA LEU 119 OK 100 100 100 100 2.0-3.8 3790=100, 2.1/3798=55...(22) QD1 LEU 122 + HA LEU 119 OK 66 89 85 88 2.0-5.7 3.1/3764=35, 11702=24...(24) QD2 LEU 122 + HA LEU 119 OK 56 100 65 85 1.9-6.0 3.1/3764=35...(21) QD1 LEU 53 + HA LEU 119 OK 43 100 55 78 1.8-8.1 2.1/11845=31, 11844=14...(23) QD1 LEU 103 - HA LEU 119 far 0 99 0 - 4.9-7.5 QG1 VAL 63 - HA LEU 119 far 0 99 0 - 6.2-10.5 QD2 LEU 49 - HA LEU 119 far 0 99 0 - 6.3-9.5 QD1 LEU 70 - HA LEU 119 far 0 76 0 - 6.6-10.9 QD1 LEU 96 - HA LEU 119 far 0 90 0 - 7.1-10.2 QD1 ILE 32 - HA LEU 119 far 0 81 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 3760 from aliabs.peaks (0.94, 4.03, 57.80 ppm; 3.76 A): 4 out of 13 assignments used, quality = 1.00: * QD1 LEU 119 + HA LEU 119 OK 100 100 100 100 2.0-4.0 3798=100, 2.1/3790=83...(15) QD1 LEU 123 + HA LEU 119 OK 57 95 65 93 3.1-7.6 3.2/3764=30...(26) QD1 LEU 62 + HA LEU 119 OK 56 71 95 83 1.6-7.5 10954=22, 3795/3790=22...(19) QD2 LEU 53 + HA LEU 119 OK 32 63 60 85 2.0-8.5 11845=26, 2.1/3759=13...(27) QG2 VAL 63 - HA LEU 119 poor 19 63 30 - 4.2-9.0 QD1 LEU 49 - HA LEU 119 far 0 68 0 - 5.4-9.4 QG1 VAL 126 - HA LEU 119 far 0 87 0 - 5.6-8.1 QG2 VAL 126 - HA LEU 119 far 0 73 0 - 5.6-8.9 QG1 VAL 57 - HA LEU 119 far 0 100 0 - 7.2-13.1 QG1 VAL 112 - HA LEU 119 far 0 65 0 - 7.4-11.7 QD1 LEU 48 - HA LEU 119 far 0 60 0 - 8.1-14.3 QG2 VAL 112 - HA LEU 119 far 0 92 0 - 9.3-13.0 QG1 VAL 20 - HA LEU 119 far 0 57 0 - 9.3-32.3 Violated in 0 structures by 0.00 A. Peak 3763 from aliabs.peaks (1.61, 4.03, 57.80 ppm; 4.69 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 122 + HA LEU 119 OK 99 100 100 99 3.1-5.9 1.8/3764=89, 3.5/3762=45...(20) HG LEU 122 + HA LEU 119 OK 99 100 100 99 3.4-6.2 3.0/3764=73, 4.6/3762=37...(21) HG LEU 119 + HA LEU 119 OK 95 95 100 100 2.4-4.1 3.7=100 HG LEU 70 - HA LEU 119 far 0 100 0 - 9.3-13.1 Violated in 0 structures by 0.00 A. Peak 3764 from aliabs.peaks (1.79, 4.03, 57.80 ppm; 4.20 A): 0 out of 4 assignments used, quality = 0.00: ! HB3 LEU 122 - HA LEU 119 poor 18 100 20 88 4.6-6.8 3.5/3762=36...(16) HG LEU 100 - HA LEU 119 far 0 89 0 - 5.8-8.6 HB3 LEU 103 - HA LEU 119 far 0 100 0 - 6.0-8.6 HB3 LEU 98 - HA LEU 119 far 0 99 0 - 6.6-13.7 Violated in 20 structures by 1.42 A. Peak 3766 from aliabs.peaks (4.03, 1.54, 40.68 ppm; 4.47 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 SER 99 - HB2 LEU 119 far 3 63 5 - 5.9-10.3 HA SER 50 - HB2 LEU 119 far 0 60 0 - 6.0-13.0 HA LEU 103 - HB2 LEU 119 far 0 97 0 - 6.9-12.3 HB3 SER 124 - HB2 LEU 119 far 0 95 0 - 7.1-9.2 HA LEU 122 - HB2 LEU 119 far 0 93 0 - 7.8-9.1 HA LEU 96 - HB2 LEU 119 far 0 63 0 - 8.6-11.6 HA SER 60 - HB2 LEU 119 far 0 90 0 - 9.4-14.4 Violated in 0 structures by 0.00 A. Peak 3767 from aliabs.peaks (1.54, 1.54, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 119 + HB2 LEU 119 OK 100 100 - 100 Peak 3768 from aliabs.peaks (1.87, 1.54, 40.68 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HB2 LEU 119 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 123 + HB2 LEU 119 OK 78 99 80 98 4.5-6.9 3757/2.9=28, 3932=27...(45) Violated in 0 structures by 0.00 A. Peak 3769 from aliabs.peaks (1.62, 1.54, 40.68 ppm; 4.74 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 62 + HB2 LEU 119 OK 64 76 85 100 2.1-8.0 3.0/10951=36...(43) HB2 LEU 123 + HB2 LEU 119 OK 62 65 95 99 4.0-6.3 1.8/3768=40, ~3764=34...(46) HG LEU 122 - HB2 LEU 119 far 13 89 15 - 5.7-8.6 HB2 LEU 122 - HB2 LEU 119 far 5 95 5 - 5.1-8.2 Violated in 0 structures by 0.00 A. Peak 3770 from aliabs.peaks (0.79, 1.54, 40.68 ppm; 3.93 A): 4 out of 9 assignments used, quality = 1.00: * QD2 LEU 119 + HB2 LEU 119 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 53 + HB2 LEU 119 OK 53 100 55 96 2.9-8.0 ~11845=20, 3778/1.8=16...(50) QD1 LEU 122 + HB2 LEU 119 OK 48 89 60 90 3.8-7.9 11702/2.9=25...(35) QD2 LEU 122 + HB2 LEU 119 OK 23 100 25 90 3.7-8.0 ~11702=17, 3759/2.9=15...(39) QD1 LEU 103 - HB2 LEU 119 far 5 99 5 - 5.4-8.7 QD2 LEU 49 - HB2 LEU 119 far 0 99 0 - 7.3-10.3 QG1 VAL 63 - HB2 LEU 119 far 0 99 0 - 7.7-11.4 QD1 LEU 70 - HB2 LEU 119 far 0 76 0 - 8.3-12.9 QD1 LEU 96 - HB2 LEU 119 far 0 90 0 - 8.7-12.0 Violated in 0 structures by 0.00 A. Peak 3771 from aliabs.peaks (0.94, 1.54, 40.68 ppm; 3.91 A): 4 out of 13 assignments used, quality = 1.00: * QD1 LEU 119 + HB2 LEU 119 OK 100 100 100 100 2.2-3.1 3.0=100 QD1 LEU 62 + HB2 LEU 119 OK 59 71 85 98 1.8-7.4 3795/3.1=23...(41) QD1 LEU 123 + HB2 LEU 119 OK 50 95 55 97 3.1-7.4 3.2/3768=23, ~3764=15...(44) QD2 LEU 53 + HB2 LEU 119 OK 44 63 75 94 1.9-8.1 11845/2.9=17...(45) QG2 VAL 63 - HB2 LEU 119 far 0 63 0 - 5.4-9.7 QG1 VAL 57 - HB2 LEU 119 far 0 100 0 - 5.7-12.2 QD1 LEU 49 - HB2 LEU 119 far 0 68 0 - 5.9-9.9 QG1 VAL 112 - HB2 LEU 119 far 0 65 0 - 6.6-11.3 QG1 VAL 126 - HB2 LEU 119 far 0 87 0 - 6.9-9.5 QG2 VAL 126 - HB2 LEU 119 far 0 73 0 - 7.3-10.1 QG2 VAL 112 - HB2 LEU 119 far 0 92 0 - 8.6-13.1 QD1 LEU 48 - HB2 LEU 119 far 0 60 0 - 8.8-14.2 QG1 VAL 20 - HB2 LEU 119 far 0 57 0 - 9.2-32.9 Violated in 0 structures by 0.00 A. Peak 3774 from aliabs.peaks (4.03, 1.87, 40.68 ppm; 4.54 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 SER 99 - HB3 LEU 119 far 0 63 0 - 6.4-9.5 HA SER 50 - HB3 LEU 119 far 0 60 0 - 7.2-14.0 HB3 SER 124 - HB3 LEU 119 far 0 95 0 - 7.4-9.2 HA LEU 122 - HB3 LEU 119 far 0 93 0 - 8.1-9.0 HA LEU 103 - HB3 LEU 119 far 0 97 0 - 8.2-12.2 HA LEU 96 - HB3 LEU 119 far 0 63 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 3775 from aliabs.peaks (1.54, 1.87, 40.68 ppm; 3.76 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 119 + HB3 LEU 119 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 123 + HB3 LEU 119 OK 31 81 40 97 4.0-7.5 4.6/11552=29...(37) HB2 LEU 53 + HB3 LEU 119 OK 25 73 35 96 3.4-10.7 ~11621=21, ~1638=12...(49) HG LEU 103 - HB3 LEU 119 far 0 93 0 - 7.0-11.3 Violated in 0 structures by 0.00 A. Peak 3776 from aliabs.peaks (1.87, 1.87, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 119 + HB3 LEU 119 OK 100 100 - 100 Peak 3777 from aliabs.peaks (1.62, 1.87, 40.68 ppm; 4.02 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LEU 123 + HB3 LEU 119 OK 39 65 60 99 4.2-7.4 3.9/11552=39...(50) HG LEU 62 + HB3 LEU 119 OK 37 76 50 99 3.6-9.7 3793/3.1=27, ~10951=21...(44) HB2 LEU 122 - HB3 LEU 119 far 0 95 0 - 5.7-8.4 HG LEU 122 - HB3 LEU 119 far 0 89 0 - 5.9-8.8 Violated in 0 structures by 0.00 A. Peak 3778 from aliabs.peaks (0.79, 1.87, 40.68 ppm; 3.94 A): 3 out of 9 assignments used, quality = 1.00: * QD2 LEU 119 + HB3 LEU 119 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 53 + HB3 LEU 119 OK 39 100 40 97 4.0-9.1 ~11845=20, 3770/1.8=18...(55) QD1 LEU 122 + HB3 LEU 119 OK 38 89 45 95 4.3-8.0 11702/2.9=25...(44) QD2 LEU 122 - HB3 LEU 119 far 15 100 15 - 4.1-8.3 QD1 LEU 103 - HB3 LEU 119 far 5 99 5 - 5.4-8.5 QG1 VAL 63 - HB3 LEU 119 far 0 99 0 - 8.1-12.5 QD2 LEU 49 - HB3 LEU 119 far 0 99 0 - 8.3-11.4 QD1 LEU 70 - HB3 LEU 119 far 0 76 0 - 9.0-13.1 QD1 LEU 96 - HB3 LEU 119 far 0 90 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 3779 from aliabs.peaks (0.94, 1.87, 40.68 ppm; 3.96 A): 3 out of 12 assignments used, quality = 1.00: * QD1 LEU 119 + HB3 LEU 119 OK 100 100 100 100 1.9-3.2 3.0=100 QD1 LEU 62 + HB3 LEU 119 OK 56 71 80 98 3.2-8.9 3795/3.1=24, ~10951=20...(41) QD2 LEU 53 + HB3 LEU 119 OK 33 63 55 95 1.9-9.2 11845/2.9=17...(46) QD1 LEU 123 - HB3 LEU 119 poor 19 95 20 - 4.4-7.9 QG2 VAL 63 - HB3 LEU 119 far 0 63 0 - 5.8-10.7 QG1 VAL 57 - HB3 LEU 119 far 0 100 0 - 6.4-13.4 QG1 VAL 112 - HB3 LEU 119 far 0 65 0 - 7.1-10.5 QD1 LEU 49 - HB3 LEU 119 far 0 68 0 - 7.2-10.8 QG2 VAL 126 - HB3 LEU 119 far 0 73 0 - 7.3-11.0 QG1 VAL 126 - HB3 LEU 119 far 0 87 0 - 7.4-10.4 QG2 VAL 112 - HB3 LEU 119 far 0 92 0 - 8.7-12.3 QD1 LEU 48 - HB3 LEU 119 far 0 60 0 - 9.6-15.6 Violated in 0 structures by 0.00 A. Peak 3782 from aliabs.peaks (4.03, 1.62, 27.00 ppm; 4.16 A): 5 out of 42 assignments used, quality = 1.00: * HA LEU 119 + HG LEU 119 OK 100 100 100 100 2.4-4.1 3.7=100 HA LEU 122 + HG LEU 122 OK 59 60 100 99 3.5-4.2 4.3=94, 3901/2.1=29...(21) HA LEU 119 + HG LEU 122 OK 57 70 85 97 3.4-6.2 3764/3.0=60...(20) HB3 SER 99 + HG LEU 122 OK 30 36 85 98 3.0-7.4 11702/2.1=33, ~11479=30...(24) HA LEU 96 + HG LEU 122 OK 24 36 75 88 3.4-6.1 3901/2.1=20, 3868/3.0=14...(32) HA GLN 68 - HG LEU 70 poor 16 64 25 - 5.3-8.3 HB2 SER 74 - HG LEU 70 poor 14 48 30 - 4.1-9.2 HA LEU 96 - HG LEU 70 poor 13 52 25 - 5.2-7.3 HA LEU 122 - HG LEU 70 far 0 82 0 - 5.9-8.2 HB2 SER 38 - HG3 ARG 23 far 0 78 0 - 6.0-33.5 HA LEU 103 - HG LEU 119 far 0 97 0 - 6.1-10.8 HB3 SER 124 - HG LEU 122 far 0 61 0 - 6.3-8.7 HA SER 50 - HG LEU 122 far 0 35 0 - 6.4-11.0 HA LEU 103 - HG LEU 122 far 0 63 0 - 6.7-10.9 HB3 SER 99 - HG LEU 119 far 0 63 0 - 6.8-9.7 HA ARG 135 - HG3 ARG 84 far 0 51 0 - 6.8-11.2 HA ILE 37 - HG3 ARG 23 far 0 99 0 - 7.1-28.7 HA LYS 95 - HG LEU 122 far 0 69 0 - 7.2-10.8 HA ARG 135 - HG2 ARG 84 far 0 61 0 - 7.3-12.8 HA GLU 102 - HG3 ARG 23 far 0 75 0 - 7.3-36.7 HB3 SER 99 - HG LEU 70 far 0 52 0 - 7.5-10.4 HA GLN 68 - HG3 ARG 23 far 0 75 0 - 7.7-23.6 HA LYS 95 - HG LEU 70 far 0 92 0 - 7.8-10.4 HA SER 60 - HG LEU 119 far 0 90 0 - 7.9-15.0 HD3 PRO 81 - HG3 ARG 84 far 0 48 0 - 7.9-12.7 HA GLU 102 - HG LEU 70 far 0 64 0 - 8.3-11.6 HD3 PRO 81 - HG2 ARG 84 far 0 58 0 - 8.4-12.9 HA SER 50 - HG LEU 119 far 0 60 0 - 8.5-15.1 HA ALA 92 - HG LEU 70 far 0 50 0 - 8.5-12.1 HA LEU 122 - HG LEU 119 far 0 93 0 - 8.5-10.2 HB2 SER 38 - HG LEU 22 far 0 70 0 - 8.6-34.4 HA GLU 102 - HG LEU 122 far 0 45 0 - 8.8-12.3 HA ALA 92 - HG LEU 122 far 0 35 0 - 9.1-12.4 HB3 SER 124 - HG LEU 119 far 0 95 0 - 9.1-11.1 HA SER 60 - HG3 ARG 23 far 0 90 0 - 9.2-29.6 HA LEU 119 - HG LEU 70 far 0 92 0 - 9.3-13.1 HA SER 60 - HG LEU 22 far 0 82 0 - 9.3-31.0 HA LEU 103 - HG3 ARG 23 far 0 96 0 - 9.4-37.1 HA LEU 103 - HG LEU 70 far 0 86 0 - 9.6-12.8 HA SER 60 - HG LEU 122 far 0 57 0 - 9.7-14.6 HA GLN 68 - HG LEU 122 far 0 45 0 - 9.7-12.5 HA LEU 96 - HG LEU 119 far 0 63 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3783 from aliabs.peaks (1.54, 1.62, 27.00 ppm; 4.74 A): 7 out of 20 assignments used, quality = 1.00: * HB2 LEU 119 + HG LEU 119 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 22 + HG LEU 22 OK 95 95 100 100 2.3-2.9 3.0=100 HG2 ARG 23 + HG3 ARG 23 OK 86 86 100 100 1.8-1.8 1.8=100 HB2 LEU 22 + HG3 ARG 23 OK 76 100 80 95 2.7-7.3 6197/5.0=56, 377/3.8=34...(22) HG2 ARG 23 + HG LEU 22 OK 48 78 75 82 3.4-7.5 6205/452=24, 370/4.3=22...(20) HG LEU 123 + HG LEU 119 OK 39 81 50 97 4.7-8.8 3791/2.1=25, 3756/3.7=22...(29) HB2 LEU 53 + HG LEU 119 OK 25 73 35 99 4.2-11.5 ~11621=49, ~1641=21...(40) HG LEU 123 - HG LEU 122 poor 19 49 45 85 3.1-8.0 ~11422=19, 3.0/3784=17...(24) HG LEU 103 - HG LEU 122 poor 13 60 35 60 5.2-9.4 10965/10972=11, ~3386=9...(21) HB2 LEU 119 - HG LEU 122 far 10 70 15 - 5.7-8.6 HG LEU 103 - HG LEU 119 lone 6 93 30 20 4.9-10.5 3395/10221=8, ~3409=4...(6) HB2 LEU 53 - HG LEU 122 far 4 44 10 - 5.1-12.7 HG13 ILE 37 - HG3 ARG 23 far 0 98 0 - 6.9-28.7 HG LEU 49 - HG LEU 122 far 0 38 0 - 6.9-10.4 HG LEU 49 - HG LEU 70 far 0 55 0 - 8.0-13.9 HG13 ILE 37 - HG LEU 70 far 0 88 0 - 8.1-15.4 HG LEU 103 - HG LEU 70 far 0 82 0 - 8.3-12.0 HB3 LEU 42 - HG LEU 70 far 0 92 0 - 9.2-13.9 HG LEU 123 - HG LEU 70 far 0 69 0 - 9.2-13.6 HG LEU 103 - HG3 ARG 23 far 0 93 0 - 9.4-34.1 Violated in 0 structures by 0.00 A. Peak 3784 from aliabs.peaks (1.87, 1.62, 27.00 ppm; 5.06 A): 2 out of 13 assignments used, quality = 1.00: * HB3 LEU 119 + HG LEU 119 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 123 + HG LEU 122 OK 42 67 70 89 4.2-6.9 ~11571=22, 3.9/7743=20...(27) HB3 LEU 123 - HG LEU 119 far 15 99 15 - 6.4-9.2 HB3 LEU 119 - HG LEU 122 far 10 70 15 - 5.9-8.8 HB3 LYS 36 - HG3 ARG 23 far 10 96 10 - 5.0-27.0 HB2 ARG 135 - HG3 ARG 84 lone 2 43 70 8 4.3-8.9 7104/7105=3, 11279/11862=2 HB2 ARG 135 - HG2 ARG 84 lone 2 52 50 8 4.9-10.5 7104/7105=3, 11279/11862=2 HB3 LEU 48 - HG LEU 22 far 0 72 0 - 7.4-30.1 HB3 LEU 48 - HG3 ARG 23 far 0 80 0 - 7.7-30.4 HB3 LYS 36 - HG LEU 22 far 0 89 0 - 8.0-32.5 HB3 LYS 36 - HG LEU 70 far 0 86 0 - 9.0-17.5 HB2 GLU 40 - HG3 ARG 23 far 0 68 0 - 9.2-36.0 HB3 LEU 123 - HG LEU 70 far 0 89 0 - 9.2-13.5 Violated in 0 structures by 0.00 A. Peak 3785 from aliabs.peaks (1.62, 1.62, 27.00 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG LEU 119 + HG LEU 119 OK 100 100 - 100 HG3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 HG LEU 22 + HG LEU 22 OK 95 95 - 100 HG LEU 70 + HG LEU 70 OK 87 87 - 100 HG LEU 122 + HG LEU 122 OK 55 55 - 100 HG2 ARG 84 + HG2 ARG 84 OK 53 53 - 100 HG3 ARG 84 + HG3 ARG 84 OK 41 41 - 100 Peak 3786 from aliabs.peaks (0.79, 1.62, 27.00 ppm; 3.05 A): 7 out of 42 assignments used, quality = 1.00: * QD2 LEU 119 + HG LEU 119 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 122 OK 69 69 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 70 OK 64 64 100 100 2.1-2.1 2.1=100 QD1 LEU 96 + HG LEU 70 OK 58 78 95 78 1.6-4.6 ~11917=13, ~11106=11...(21) QD1 LEU 122 + HG LEU 122 OK 55 55 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 70 OK 35 91 50 77 3.2-8.5 3902=12, ~2272=9...(37) QD1 LEU 70 + HG LEU 122 OK 22 45 65 73 2.5-8.1 2.1/2272=17, 2264=10...(26) QD1 LEU 53 - HG LEU 119 poor 20 100 20 - 3.3-9.7 QD1 LEU 103 - HG LEU 119 poor 20 99 20 - 3.2-7.5 QD1 LEU 122 - HG LEU 70 poor 15 77 20 - 3.4-8.1 QD2 LEU 122 - HG LEU 119 far 15 100 15 - 3.6-8.2 QD1 LEU 122 - HG LEU 119 poor 14 89 35 45 3.9-9.0 11702/3.7=12, 3770/2.9=8...(15) QD2 LEU 49 - HG LEU 122 far 10 66 15 - 3.9-7.2 QD1 LEU 53 - HG LEU 122 poor 6 69 35 23 2.0-9.1 3900/4.6=3, 3902=3...(12) QD1 LEU 96 - HG LEU 122 far 3 57 5 - 3.2-6.9 QD2 LEU 49 - HG LEU 70 far 0 89 0 - 4.7-9.7 QG2 ILE 80 - HG2 ARG 84 far 0 36 0 - 4.7-9.9 QG1 VAL 63 - HG LEU 122 far 0 67 0 - 4.8-9.3 QD1 LEU 103 - HG LEU 122 far 0 66 0 - 4.8-8.8 QD2 LEU 119 - HG LEU 122 far 0 70 0 - 5.1-7.5 QG2 ILE 80 - HG3 ARG 84 far 0 30 0 - 5.3-9.8 QD1 ILE 32 - HG3 ARG 23 far 0 80 0 - 5.4-16.6 QG1 VAL 63 - HG LEU 70 far 0 89 0 - 5.4-8.6 QG1 VAL 63 - HG LEU 119 far 0 99 0 - 6.0-12.2 QD1 ILE 37 - HG LEU 70 far 0 69 0 - 6.2-11.0 QD1 ILE 32 - HG LEU 70 far 0 69 0 - 6.2-11.2 QD1 LEU 53 - HG LEU 70 far 0 91 0 - 6.5-13.5 QD1 LEU 103 - HG LEU 70 far 0 89 0 - 6.5-11.5 QD1 ILE 37 - HG3 ARG 23 far 0 80 0 - 7.0-23.5 QG1 VAL 63 - HG3 ARG 23 far 0 99 0 - 7.2-25.0 HG13 ILE 80 - HG3 ARG 84 far 0 34 0 - 7.3-11.7 HG13 ILE 80 - HG2 ARG 84 far 0 41 0 - 7.5-11.8 QD2 LEU 49 - HG LEU 119 far 0 99 0 - 7.7-11.8 QD1 ILE 32 - HG LEU 122 far 0 49 0 - 8.3-12.5 QD1 LEU 70 - HG LEU 119 far 0 76 0 - 8.4-12.7 QD1 ILE 32 - HG LEU 22 far 0 72 0 - 8.6-18.9 QD1 LEU 103 - HG3 ARG 23 far 0 98 0 - 8.8-30.1 QD2 LEU 119 - HG LEU 70 far 0 92 0 - 9.0-13.3 QD1 ILE 37 - HG LEU 122 far 0 49 0 - 9.6-15.5 QD1 LEU 96 - HG LEU 119 far 0 90 0 - 9.8-12.7 QG2 ILE 80 - HG LEU 70 far 0 57 0 - 9.8-16.0 QD1 ILE 32 - HG LEU 119 far 0 81 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 3787 from aliabs.peaks (0.94, 1.62, 27.00 ppm; 3.42 A): 3 out of 51 assignments used, quality = 1.00: * QD1 LEU 119 + HG LEU 119 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 + HG LEU 119 OK 61 71 90 95 2.2-7.9 3795/2.1=25, ~10992=19...(35) QG1 VAL 126 + HG LEU 122 OK 39 54 85 85 2.4-6.2 11676/2.1=20, ~11678=17...(22) QG2 VAL 126 - HG LEU 122 poor 20 44 55 83 3.1-6.1 11678/3.0=19...(22) QG1 VAL 20 - HG3 ARG 23 poor 20 57 35 - 1.9-9.3 QD2 LEU 53 - HG LEU 119 poor 17 63 35 79 4.1-10.3 3795/2.1=11...(29) QG2 VAL 126 - HG LEU 70 poor 15 62 55 43 3.6-8.5 ~11109=7, 11692/11635=6...(14) QG1 VAL 126 - HG LEU 70 poor 14 75 40 47 3.3-7.0 11665/5.0=8, ~11109=7...(15) QD1 LEU 123 - HG LEU 122 poor 12 61 20 - 4.4-7.2 QD1 LEU 49 - HG LEU 122 poor 10 40 25 - 4.1-7.1 QD1 LEU 62 - HG LEU 122 poor 8 42 50 38 2.5-6.3 ~10992=6, ~9395=5...(17) QG1 VAL 20 - HG LEU 22 far 8 50 15 - 4.3-8.0 QG2 ILE 37 - HG3 ARG 23 far 5 100 5 - 4.8-24.3 QD1 LEU 123 - HG LEU 119 far 5 95 5 - 4.6-9.2 QG2 VAL 63 - HG LEU 122 far 4 36 10 - 4.0-8.6 QG2 VAL 63 - HG LEU 119 lone 3 63 35 11 3.7-10.1 11012/1985=3, 3.7/6808=3...(5) QD2 LEU 53 - HG LEU 122 far 2 36 5 - 3.4-9.2 QG1 VAL 112 - HG LEU 119 far 0 65 0 - 5.2-9.5 QD1 LEU 119 - HG LEU 122 far 0 70 0 - 5.3-8.4 QD1 LEU 48 - HG LEU 22 far 0 53 0 - 5.3-25.2 QG2 ILE 37 - HG LEU 70 far 0 91 0 - 6.0-11.8 QD1 LEU 62 - HG LEU 70 far 0 60 0 - 6.2-10.9 QD1 LEU 49 - HG LEU 70 far 0 57 0 - 6.4-11.3 QG1 VAL 57 - HG LEU 22 far 0 94 0 - 6.5-26.7 QG1 VAL 105 - HG3 ARG 23 far 0 91 0 - 6.7-32.0 QG2 VAL 63 - HG LEU 70 far 0 52 0 - 6.7-9.5 QG1 VAL 57 - HG LEU 119 far 0 100 0 - 6.8-13.3 QG1 VAL 105 - HG LEU 70 far 0 80 0 - 7.0-12.6 QD1 LEU 48 - HG LEU 70 far 0 50 0 - 7.0-15.7 QG2 VAL 112 - HG LEU 119 far 0 92 0 - 7.0-11.3 QD1 LEU 49 - HG LEU 119 far 0 68 0 - 7.0-11.6 QD1 LEU 48 - HG LEU 122 far 0 35 0 - 7.1-13.9 QG2 VAL 126 - HG LEU 119 far 0 73 0 - 7.5-11.5 QD1 LEU 48 - HG3 ARG 23 far 0 59 0 - 7.7-23.1 QG1 VAL 126 - HG LEU 119 far 0 87 0 - 7.8-10.3 QG1 VAL 57 - HG3 ARG 23 far 0 100 0 - 8.0-26.1 QD2 LEU 53 - HG LEU 70 far 0 52 0 - 8.1-14.6 QG2 VAL 63 - HG3 ARG 23 far 0 62 0 - 8.3-26.5 QG2 ILE 37 - HG LEU 22 far 0 94 0 - 8.4-24.8 QD1 LEU 123 - HG LEU 70 far 0 83 0 - 8.5-12.4 QD1 LEU 48 - HG LEU 119 far 0 60 0 - 8.8-15.9 QG1 VAL 57 - HG LEU 122 far 0 69 0 - 8.8-12.0 QG2 ILE 37 - HG LEU 122 far 0 69 0 - 8.8-15.5 QG1 VAL 112 - HG LEU 122 far 0 38 0 - 8.9-14.8 QD1 LEU 119 - HG3 ARG 23 far 0 100 0 - 9.0-30.3 QG1 VAL 105 - HG LEU 122 far 0 58 0 - 9.1-13.2 QD1 LEU 119 - HG LEU 70 far 0 92 0 - 9.5-13.9 QG2 VAL 112 - HG LEU 22 far 0 84 0 - 9.6-38.2 QG1 VAL 20 - HG LEU 122 far 0 33 0 - 9.8-30.8 QG2 VAL 112 - HG3 ARG 23 far 0 91 0 - 9.8-36.8 QG1 VAL 105 - HG LEU 119 far 0 92 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 3790 from aliabs.peaks (4.03, 0.79, 23.00 ppm; 3.14 A): 1 out of 10 assignments used, quality = 0.96: * HA LEU 119 + QD2 LEU 119 OK 96 100 100 96 2.0-3.8 3.9=53, 3798/2.1=51...(22) HA SER 50 - QD2 LEU 119 far 0 60 0 - 5.6-13.7 HA SER 60 - QD2 LEU 119 far 0 90 0 - 5.6-14.1 HB3 SER 99 - QD2 LEU 119 far 0 63 0 - 5.9-9.5 HA LEU 103 - QD2 LEU 119 far 0 97 0 - 6.5-9.8 HB3 SER 124 - QD2 LEU 119 far 0 95 0 - 7.0-9.5 HA LEU 122 - QD2 LEU 119 far 0 93 0 - 7.2-9.1 HA LEU 96 - QD2 LEU 119 far 0 63 0 - 8.6-10.9 HA LYS 95 - QD2 LEU 119 far 0 100 0 - 8.8-13.8 HA GLU 102 - QD2 LEU 119 far 0 76 0 - 9.8-12.9 Violated in 4 structures by 0.08 A. Peak 3791 from aliabs.peaks (1.54, 0.79, 23.00 ppm; 3.35 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 123 + QD2 LEU 119 OK 38 81 60 78 2.3-8.4 3756/3790=12...(27) HB2 LEU 53 + QD2 LEU 119 OK 27 73 40 91 1.8-10.9 3.0/11621=40...(37) HG LEU 103 - QD2 LEU 119 far 5 93 5 - 4.7-8.7 HG LEU 49 - QD2 LEU 119 far 0 65 0 - 6.8-14.5 Violated in 0 structures by 0.00 A. Peak 3792 from aliabs.peaks (1.87, 0.79, 23.00 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 119 + QD2 LEU 119 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 123 - QD2 LEU 119 far 10 99 10 - 4.2-8.2 HB3 LEU 48 - QD2 LEU 119 far 0 81 0 - 8.9-18.5 Violated in 0 structures by 0.00 A. Peak 3793 from aliabs.peaks (1.62, 0.79, 23.00 ppm; 2.99 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 119 + QD2 LEU 119 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 62 + QD2 LEU 119 OK 63 76 90 93 1.8-9.5 10992=22, 2.1/3795=21...(40) HB2 LEU 123 - QD2 LEU 119 poor 15 65 35 64 3.5-7.2 1.8/3792=10, 3.0/3791=9...(21) HG LEU 122 - QD2 LEU 119 far 0 89 0 - 5.1-7.5 HB2 LEU 122 - QD2 LEU 119 far 0 95 0 - 5.5-7.6 HB2 LEU 98 - QD2 LEU 119 far 0 73 0 - 8.3-13.9 HB2 LEU 69 - QD2 LEU 119 far 0 63 0 - 8.9-16.4 HG LEU 70 - QD2 LEU 119 far 0 97 0 - 9.0-13.3 Violated in 0 structures by 0.00 A. Peak 3794 from aliabs.peaks (0.79, 0.79, 23.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 119 + QD2 LEU 119 OK 100 100 - 100 Peak 3795 from aliabs.peaks (0.94, 0.79, 23.00 ppm; 2.50 A): 2 out of 15 assignments used, quality = 1.00: * QD1 LEU 119 + QD2 LEU 119 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 62 + QD2 LEU 119 OK 45 71 90 71 1.7-8.2 2.1/10992=17...(24) QG2 VAL 63 - QD2 LEU 119 poor 16 63 25 - 2.9-8.7 QD1 LEU 123 - QD2 LEU 119 far 14 95 15 - 2.9-8.4 QD2 LEU 53 - QD2 LEU 119 poor 11 63 35 49 1.9-9.1 3.8/11621=17, 1683=9...(12) QG1 VAL 57 - QD2 LEU 119 far 5 100 5 - 4.0-12.6 QG1 VAL 112 - QD2 LEU 119 far 0 65 0 - 4.6-9.6 QD1 LEU 49 - QD2 LEU 119 far 0 68 0 - 5.0-10.6 QG2 VAL 126 - QD2 LEU 119 far 0 73 0 - 5.3-10.4 QG1 VAL 126 - QD2 LEU 119 far 0 87 0 - 5.8-9.4 QG2 VAL 112 - QD2 LEU 119 far 0 92 0 - 6.0-11.0 QD1 LEU 48 - QD2 LEU 119 far 0 60 0 - 6.2-13.7 QG1 VAL 20 - QD2 LEU 119 far 0 57 0 - 7.3-26.9 QG1 VAL 105 - QD2 LEU 119 far 0 92 0 - 9.1-12.1 QG2 ILE 37 - QD2 LEU 119 far 0 100 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 3798 from aliabs.peaks (4.03, 0.94, 25.07 ppm; 3.66 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 119 + QD1 LEU 119 OK 100 100 100 100 2.0-4.0 3790/2.1=81, 4.1=71...(14) HA LEU 103 - QD1 LEU 119 far 5 97 5 - 4.1-10.2 HB3 SER 99 - QD1 LEU 119 far 3 63 5 - 3.9-9.6 HA LEU 122 - QD1 LEU 119 far 0 93 0 - 6.6-9.4 HA LEU 96 - QD1 LEU 119 far 0 63 0 - 6.8-11.5 HA SER 60 - QD1 LEU 119 far 0 90 0 - 7.3-12.1 HA SER 50 - QD1 LEU 119 far 0 60 0 - 7.3-12.6 HA GLU 102 - QD1 LEU 119 far 0 76 0 - 7.4-13.6 HA LYS 95 - QD1 LEU 119 far 0 100 0 - 7.5-14.6 HB3 SER 124 - QD1 LEU 119 far 0 95 0 - 7.8-9.8 Violated in 18 structures by 0.16 A. Peak 3799 from aliabs.peaks (1.54, 0.94, 25.07 ppm; 3.25 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 2.2-3.1 3.0=100 HB2 LEU 53 + QD1 LEU 119 OK 21 73 35 82 3.6-9.9 ~11621=21, 3791/2.1=10...(34) HG LEU 123 - QD1 LEU 119 far 4 81 5 - 4.7-7.7 HG LEU 103 - QD1 LEU 119 far 0 93 0 - 5.5-8.5 HG LEU 49 - QD1 LEU 119 far 0 65 0 - 9.4-12.8 HG2 ARG 23 - QD1 LEU 119 far 0 87 0 - 9.9-29.3 Violated in 0 structures by 0.00 A. Peak 3800 from aliabs.peaks (1.87, 0.94, 25.07 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + QD1 LEU 119 OK 100 100 100 100 1.9-3.2 3.0=100 HB3 LEU 123 - QD1 LEU 119 far 0 99 0 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 3801 from aliabs.peaks (1.62, 0.94, 25.07 ppm; 2.96 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 119 + QD1 LEU 119 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 62 + QD1 LEU 119 OK 33 76 50 87 3.7-7.7 3793/2.1=22...(34) HB2 LEU 122 - QD1 LEU 119 far 5 95 5 - 4.3-8.6 HB2 LEU 123 - QD1 LEU 119 far 0 65 0 - 5.2-8.0 HG LEU 122 - QD1 LEU 119 far 0 89 0 - 5.3-8.4 HB2 LEU 98 - QD1 LEU 119 far 0 73 0 - 6.6-13.8 HG3 ARG 23 - QD1 LEU 119 far 0 100 0 - 9.0-30.3 HG LEU 70 - QD1 LEU 119 far 0 97 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 3802 from aliabs.peaks (0.79, 0.94, 25.07 ppm; 2.54 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 119 + QD1 LEU 119 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 103 - QD1 LEU 119 far 10 99 10 - 3.5-6.5 QD1 LEU 53 - QD1 LEU 119 far 0 100 0 - 4.1-8.4 QD2 LEU 122 - QD1 LEU 119 far 0 100 0 - 4.2-8.0 QD1 LEU 122 - QD1 LEU 119 far 0 89 0 - 4.4-7.7 QG1 VAL 63 - QD1 LEU 119 far 0 99 0 - 6.4-9.6 QD1 LEU 96 - QD1 LEU 119 far 0 90 0 - 7.0-11.4 QD2 LEU 49 - QD1 LEU 119 far 0 99 0 - 7.6-9.9 QD1 LEU 70 - QD1 LEU 119 far 0 76 0 - 8.3-11.7 QD1 ILE 32 - QD1 LEU 119 far 0 81 0 - 9.2-14.4 Violated in 0 structures by 0.00 A. Peak 3803 from aliabs.peaks (0.94, 0.94, 25.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 119 + QD1 LEU 119 OK 100 100 - 100 Peak 3806 from aliabs.peaks (4.42, 4.42, 55.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 120 + HA ASN 120 OK 100 100 - 100 Peak 3807 from aliabs.peaks (2.80, 4.42, 55.85 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 120 + HA ASN 120 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 3808 from aliabs.peaks (2.80, 4.42, 55.85 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 120 + HA ASN 120 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 120 + HA ASN 120 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ASN 121 - HA ASN 120 far 0 100 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 3813 from aliabs.peaks (1.65, 4.42, 55.85 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 123 + HA ASN 120 OK 100 100 100 100 2.1-4.6 3918=84, 1.8/3927=67...(24) HG LEU 62 - HA ASN 120 far 5 100 5 - 4.9-11.1 HG LEU 119 - HA ASN 120 far 0 65 0 - 6.2-6.6 Violated in 4 structures by 0.05 A. Peak 3814 from aliabs.peaks (1.88, 4.42, 55.85 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 123 + HA ASN 120 OK 100 100 100 100 2.4-3.5 3927=76, 1.8/3813=74...(22) HB3 LEU 119 + HA ASN 120 OK 97 99 100 98 4.0-4.8 11552/7738=36...(31) Violated in 0 structures by 0.00 A. Peak 3816 from aliabs.peaks (4.42, 2.80, 37.41 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: * HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-3.0 3.0=100 HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 54 - HB2 ASN 120 far 5 100 5 - 4.2-10.4 HA THR 54 - HB3 ASN 120 far 0 100 0 - 5.2-11.6 HA THR 115 - HB3 ASN 120 far 0 73 0 - 7.0-12.7 HA THR 115 - HB2 ASN 120 far 0 73 0 - 8.0-13.0 Violated in 0 structures by 0.00 A. Peak 3817 from aliabs.peaks (2.80, 2.80, 37.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB3 ASN 85 + HB3 ASN 85 OK 60 60 - 100 Peak 3818 from aliabs.peaks (2.80, 2.80, 37.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB3 ASN 85 + HB3 ASN 85 OK 57 57 - 100 Reference assignment not found: HB3 ASN 120 - HB2 ASN 120 Peak 3820 from aliabs.peaks (6.77, 2.80, 37.41 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 120 + HB3 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3823 from aliabs.peaks (4.42, 2.80, 37.41 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: * HA ASN 120 + HB3 ASN 120 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASN 120 + HB2 ASN 120 OK 100 100 100 100 2.2-3.0 3.0=100 HA THR 54 - HB2 ASN 120 far 5 100 5 - 4.2-10.4 HA THR 54 - HB3 ASN 120 far 0 100 0 - 5.2-11.6 HA THR 115 - HB3 ASN 120 far 0 73 0 - 7.0-12.7 HA THR 115 - HB2 ASN 120 far 0 73 0 - 8.0-13.0 Violated in 0 structures by 0.00 A. Peak 3824 from aliabs.peaks (2.80, 2.80, 37.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB3 ASN 85 + HB3 ASN 85 OK 53 53 - 100 Reference assignment not found: HB2 ASN 120 - HB3 ASN 120 Peak 3825 from aliabs.peaks (2.80, 2.80, 37.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB3 ASN 85 + HB3 ASN 85 OK 50 50 - 100 Peak 3827 from aliabs.peaks (6.77, 2.80, 37.41 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 120 + HB3 ASN 120 OK 100 100 100 100 3.5-4.1 3.5=100 HD22 ASN 120 + HB2 ASN 120 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3829 from aliabs.peaks (8.12, 4.48, 56.15 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HA ASN 121 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3830 from aliabs.peaks (4.48, 4.48, 56.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HA ASN 121 OK 100 100 - 100 Peak 3831 from aliabs.peaks (2.80, 4.48, 56.15 ppm; 3.79 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HA ASN 121 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 ASN 120 + HA ASN 121 OK 85 100 90 95 4.2-5.5 11626=53, 1.8/11626=37...(24) HB2 ASN 120 + HA ASN 121 OK 71 100 75 95 4.1-5.5 11626=47, 1.8/11626=41...(25) Violated in 0 structures by 0.00 A. Peak 3832 from aliabs.peaks (2.98, 4.48, 56.15 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 121 + HA ASN 121 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3833 from aliabs.peaks (6.88, 4.48, 56.15 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HA ASN 121 OK 100 100 100 100 4.0-4.8 4.5=100 Violated in 0 structures by 0.00 A. Peak 3834 from aliabs.peaks (7.78, 4.48, 56.15 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 121 + HA ASN 121 OK 100 100 100 100 3.3-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 3835 from aliabs.peaks (8.18, 4.48, 56.15 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 122 + HA ASN 121 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 127 + HA ASN 121 OK 64 97 85 78 7.6-8.5 7759/7758=42...(5) Violated in 0 structures by 0.00 A. Peak 3836 from aliabs.peaks (7.94, 4.48, 56.15 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + HA ASN 121 OK 100 100 100 100 3.5-4.3 7758=100, 7769/3968=100...(15) Violated in 0 structures by 0.00 A. Peak 3837 from aliabs.peaks (3.99, 4.48, 56.15 ppm; 5.11 A): 3 out of 6 assignments used, quality = 1.00: * HB2 SER 124 + HA ASN 121 OK 100 100 100 100 3.8-4.4 3968=100, 1.8/3974=99...(12) HB3 SER 124 + HA ASN 121 OK 76 76 100 100 2.5-4.0 1.8/3968=99, 4.0/7758=67...(12) HB3 SER 99 + HA ASN 121 OK 68 99 95 73 4.4-6.7 11475/10324=43...(8) HA LEU 100 - HA ASN 121 far 0 71 0 - 7.6-10.8 HB3 SER 107 - HA ASN 121 far 0 57 0 - 9.1-21.4 HA SER 50 - HA ASN 121 far 0 99 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 3838 from aliabs.peaks (4.01, 4.48, 56.15 ppm; 5.11 A): 4 out of 7 assignments used, quality = 1.00: * HB3 SER 124 + HA ASN 121 OK 100 100 100 100 2.5-4.0 3974=100, 1.8/3968=99...(13) HB2 SER 124 + HA ASN 121 OK 76 76 100 100 3.8-4.4 1.8/3974=99, 4.0/7758=67...(12) HA LEU 122 + HA ASN 121 OK 65 65 100 100 4.7-4.8 4.9=100 HB3 SER 99 + HA ASN 121 OK 63 92 95 73 4.4-6.7 11475/10324=39...(8) HA LEU 119 - HA ASN 121 far 0 95 0 - 6.6-7.2 HA LYS 95 - HA ASN 121 far 0 96 0 - 6.9-9.5 HA SER 50 - HA ASN 121 far 0 90 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 3839 from aliabs.peaks (3.81, 2.80, 37.82 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + HB2 ASN 121 OK 100 100 100 100 2.5-3.7 3735/1.8=79, 3734=70...(37) Violated in 0 structures by 0.00 A. Peak 3841 from aliabs.peaks (4.48, 2.80, 37.82 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HB2 ASN 121 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 3842 from aliabs.peaks (2.80, 2.80, 37.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 121 + HB2 ASN 121 OK 100 100 - 100 Peak 3843 from aliabs.peaks (2.98, 2.80, 37.82 ppm; 3.00 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 121 + HB2 ASN 121 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 24 - HB2 ASN 121 far 0 73 0 - 8.0-34.5 Violated in 0 structures by 0.00 A. Peak 3844 from aliabs.peaks (6.88, 2.80, 37.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HB2 ASN 121 OK 100 100 100 100 3.7-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3847 from aliabs.peaks (3.81, 2.98, 37.82 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 118 + HB3 ASN 121 OK 100 100 100 100 1.7-2.1 3735=100, 3839/1.8=76...(35) HA LEU 62 - HB3 ASN 121 far 0 57 0 - 9.4-15.4 Violated in 0 structures by 0.00 A. Peak 3848 from aliabs.peaks (8.12, 2.98, 37.82 ppm; 6.72 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + HB3 ASN 121 OK 100 100 100 100 2.2-2.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 3849 from aliabs.peaks (4.48, 2.98, 37.82 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HB3 ASN 121 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3850 from aliabs.peaks (2.80, 2.98, 37.82 ppm; 2.98 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HB3 ASN 121 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 120 - HB3 ASN 121 far 0 100 0 - 5.0-6.8 HB3 ASN 120 - HB3 ASN 121 far 0 100 0 - 5.3-6.4 Violated in 0 structures by 0.00 A. Peak 3851 from aliabs.peaks (2.98, 2.98, 37.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 121 + HB3 ASN 121 OK 100 100 - 100 Peak 3852 from aliabs.peaks (6.88, 2.98, 37.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HB3 ASN 121 OK 100 100 100 100 3.4-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 3853 from aliabs.peaks (7.78, 2.98, 37.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 121 + HB3 ASN 121 OK 100 100 100 100 2.1-2.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 3854 from aliabs.peaks (8.18, 2.98, 37.82 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 122 + HB3 ASN 121 OK 100 100 100 100 1.9-2.8 4.3=100 H GLN 127 - HB3 ASN 121 far 0 97 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 3855 from aliabs.peaks (8.18, 4.04, 58.49 ppm; 5.29 A): 4 out of 4 assignments used, quality = 1.00: * H LEU 122 + HA LEU 122 OK 100 100 100 100 2.8-2.8 2.9=100 H GLN 127 + HA LEU 122 OK 87 97 100 90 5.6-6.7 3892/3.8=24...(14) H LEU 122 + HA LEU 96 OK 73 73 100 99 3.9-6.0 3.5/3868=23, 7719=19...(48) H GLN 127 + HA LEU 96 OK 41 67 85 71 5.8-8.3 4.4/11689=27...(13) Violated in 0 structures by 0.00 A. Peak 3856 from aliabs.peaks (4.04, 4.04, 58.49 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LEU 122 + HA LEU 122 OK 100 100 - 100 HA GLU 102 + HA GLU 102 OK 87 87 - 100 HA LEU 96 + HA LEU 96 OK 63 63 - 100 HA GLU 44 + HA GLU 44 OK 60 60 - 100 Peak 3857 from aliabs.peaks (1.61, 4.04, 58.49 ppm; 5.63 A): 6 out of 12 assignments used, quality = 1.00: * HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 122 + HA LEU 122 OK 100 100 100 100 3.5-4.2 4.3=100 HB2 LEU 122 + HA LEU 96 OK 73 73 100 100 3.0-5.4 3868=32, 3.1/3901=27...(60) HG LEU 122 + HA LEU 96 OK 72 73 100 99 3.4-6.1 2.1/3901=28, 3.0/3868=28...(38) HG LEU 70 + HA LEU 96 OK 69 73 95 100 5.2-7.3 ~11916=42, ~9496=41...(31) HG LEU 70 + HA LEU 122 OK 33 100 35 95 5.9-8.2 3902/3.9=18, ~3173=18...(30) HG3 ARG 23 - HA GLU 102 far 0 85 0 - 7.3-36.7 HG LEU 70 - HA GLU 102 far 0 91 0 - 8.3-11.6 HG LEU 119 - HA LEU 122 far 0 95 0 - 8.5-10.2 HG LEU 122 - HA GLU 102 far 0 90 0 - 8.8-12.3 HB2 LEU 122 - HA GLU 102 far 0 91 0 - 9.0-10.6 HG LEU 119 - HA LEU 96 far 0 65 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3858 from aliabs.peaks (1.79, 4.04, 58.49 ppm; 4.41 A): 5 out of 21 assignments used, quality = 1.00: * HB3 LEU 122 + HA LEU 122 OK 100 100 100 100 2.2-2.5 3.0=100 HB3 LEU 103 + HA GLU 102 OK 89 91 100 98 5.3-5.9 7488/7484=53...(20) HB3 LEU 122 + HA LEU 96 OK 73 73 100 99 1.9-5.0 1.8/3868=23, 3.1/3901=21...(59) HB3 LEU 98 + HA LEU 96 OK 43 71 65 94 5.2-7.0 2963/4.9=45, 9998/3.6=21...(25) HB2 LEU 48 + HA GLU 44 OK 20 54 50 75 4.8-7.1 6584/6575=54...(5) HG LEU 100 - HA LEU 122 far 13 89 15 - 5.3-7.5 HB3 LEU 98 - HA LEU 122 poor 11 99 25 44 5.6-9.7 4.6/7372=12, 7364/7355=8...(12) HB3 LYS 26 - HA GLU 102 far 3 59 5 - 3.0-28.3 HG LEU 100 - HA LEU 96 far 3 59 5 - 5.3-8.1 HB2 LYS 36 - HA GLU 44 far 0 32 0 - 6.7-15.6 HB3 LYS 26 - HA GLU 44 far 0 35 0 - 6.8-28.6 HG LEU 100 - HA GLU 102 far 0 76 0 - 6.9-9.1 HB3 LYS 19 - HA GLU 44 far 0 47 0 - 6.9-36.5 HB3 LEU 103 - HA LEU 122 far 0 100 0 - 7.1-8.9 HB3 LEU 98 - HA GLU 102 far 0 89 0 - 7.4-8.9 HB3 LEU 103 - HA LEU 96 far 0 73 0 - 7.4-9.3 HB3 ARG 23 - HA GLU 102 far 0 52 0 - 8.4-33.8 HB ILE 32 - HA GLU 44 far 0 41 0 - 8.5-17.9 HB3 LEU 122 - HA GLU 102 far 0 91 0 - 9.0-11.4 HB3 LYS 31 - HA GLU 44 far 0 40 0 - 9.5-24.2 HB3 LYS 24 - HA GLU 44 far 0 37 0 - 9.9-28.7 Violated in 0 structures by 0.00 A. Peak 3859 from aliabs.peaks (1.60, 4.04, 58.49 ppm; 5.63 A): 7 out of 15 assignments used, quality = 1.00: * HG LEU 122 + HA LEU 122 OK 100 100 100 100 3.5-4.2 4.3=100 HB2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 122 + HA LEU 96 OK 72 73 100 100 3.0-5.4 3868=32, 3.1/3901=27...(59) HG LEU 122 + HA LEU 96 OK 72 73 100 99 3.4-6.1 2.1/3901=28, 3.0/3868=28...(38) HG LEU 70 + HA LEU 96 OK 67 71 95 100 5.2-7.3 ~11916=42, ~9496=41...(31) HB2 LEU 103 + HA GLU 102 OK 54 54 100 100 5.7-6.3 4.6/7484=76...(18) HG LEU 70 + HA LEU 122 OK 33 99 35 95 5.9-8.2 3904/3.9=18, ~3173=18...(30) HB2 LEU 103 - HA LEU 122 far 0 65 0 - 7.3-10.2 HG3 ARG 23 - HA GLU 102 far 0 79 0 - 7.3-36.7 HB2 LEU 103 - HA LEU 96 far 0 41 0 - 7.8-10.0 HG LEU 70 - HA GLU 102 far 0 89 0 - 8.3-11.6 HG LEU 119 - HA LEU 122 far 0 89 0 - 8.5-10.2 HG LEU 122 - HA GLU 102 far 0 91 0 - 8.8-12.3 HB2 LEU 122 - HA GLU 102 far 0 90 0 - 9.0-10.6 HG LEU 119 - HA LEU 96 far 0 59 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3860 from aliabs.peaks (0.81, 4.04, 58.49 ppm; 4.54 A): 6 out of 26 assignments used, quality = 1.00: * QD1 LEU 122 + HA LEU 122 OK 100 100 100 100 2.7-4.1 3.8=100 QD2 LEU 122 + HA LEU 122 OK 83 83 100 100 2.1-4.1 3.9=100 QD1 LEU 70 + HA LEU 122 OK 78 99 90 87 3.9-8.4 3872/3.0=19, 3895/3.0=18...(29) QD1 LEU 122 + HA LEU 96 OK 71 73 100 97 2.1-5.9 2.1/3901=26, 3.1/3868=19...(39) QD1 LEU 70 + HA LEU 96 OK 64 71 90 100 3.7-7.0 11101/5.0=41...(40) QD2 LEU 122 + HA LEU 96 OK 51 54 100 95 1.9-5.7 3901=21, 3.1/3868=19...(38) QD1 LEU 53 - HA LEU 122 poor 19 95 20 - 5.0-8.5 QD1 LEU 103 - HA GLU 102 far 9 59 15 - 5.1-6.7 QD2 LEU 49 - HA LEU 122 far 5 98 5 - 5.2-8.8 QD1 LEU 53 - HA LEU 96 far 3 65 5 - 5.7-10.4 QG1 VAL 63 - HA GLU 102 far 0 61 0 - 6.1-8.7 QD2 LEU 49 - HA LEU 96 far 0 69 0 - 6.4-8.7 QD1 LEU 70 - HA GLU 102 far 0 89 0 - 6.5-9.8 QD2 LEU 49 - HA GLU 44 far 0 56 0 - 6.8-8.4 QG2 ILE 129 - HA LEU 96 far 0 57 0 - 6.9-8.9 QD2 LEU 119 - HA LEU 122 far 0 89 0 - 7.2-9.1 QD1 LEU 103 - HA LEU 122 far 0 71 0 - 7.3-10.0 QD2 LEU 122 - HA GLU 102 far 0 70 0 - 7.7-10.3 QG2 ILE 129 - HA LEU 122 far 0 87 0 - 7.9-9.6 QG1 VAL 63 - HA LEU 122 far 0 73 0 - 8.0-10.9 QD1 LEU 103 - HA LEU 96 far 0 45 0 - 8.1-10.5 QD2 LEU 119 - HA LEU 96 far 0 59 0 - 8.6-10.9 QD1 LEU 122 - HA GLU 102 far 0 91 0 - 8.7-10.3 QG1 VAL 63 - HA LEU 96 far 0 46 0 - 8.7-10.8 QG2 ILE 129 - HA GLU 44 far 0 46 0 - 8.8-10.8 QD2 LEU 119 - HA GLU 102 far 0 76 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 3861 from aliabs.peaks (0.79, 4.04, 58.49 ppm; 4.48 A): 8 out of 30 assignments used, quality = 1.00: * QD2 LEU 122 + HA LEU 122 OK 100 100 100 100 2.1-4.1 3.9=100 QD1 LEU 122 + HA LEU 122 OK 83 83 100 100 2.7-4.1 3.8=100 QD1 LEU 96 + HA LEU 122 OK 74 95 85 92 3.5-6.5 9987/3865=24...(26) QD2 LEU 122 + HA LEU 96 OK 71 73 100 97 1.9-5.7 3901=28, 10337/3.0=24...(40) QD1 LEU 96 + HA LEU 96 OK 65 65 100 100 2.9-4.1 4.0=100 QD1 LEU 122 + HA LEU 96 OK 51 54 100 95 2.1-5.9 2.1/3901=26, 3.1/3868=19...(39) QD1 LEU 70 + HA LEU 122 OK 49 68 90 79 3.9-8.4 3872/3.0=17, 3895/3.0=13...(26) QD1 LEU 70 + HA LEU 96 OK 38 43 90 98 3.7-7.0 ~11916=27, ~9496=27...(37) QD1 LEU 53 - HA LEU 122 poor 20 99 20 - 5.0-8.5 QD1 ILE 32 - HA GLU 44 poor 14 46 30 - 4.4-15.1 QD1 LEU 103 - HA GLU 102 far 13 90 15 - 5.1-6.7 QD2 LEU 49 - HA LEU 122 far 5 97 5 - 5.2-8.8 QD1 LEU 53 - HA LEU 96 far 4 71 5 - 5.7-10.4 QG1 VAL 63 - HA GLU 102 far 0 90 0 - 6.1-8.7 QD2 LEU 49 - HA LEU 96 far 0 67 0 - 6.4-8.7 QD1 LEU 70 - HA GLU 102 far 0 57 0 - 6.5-9.8 QD2 LEU 49 - HA GLU 44 far 0 54 0 - 6.8-8.4 QD1 ILE 37 - HA GLU 44 far 0 46 0 - 7.2-12.4 QD2 LEU 119 - HA LEU 122 far 0 100 0 - 7.2-9.1 QD1 LEU 103 - HA LEU 122 far 0 100 0 - 7.3-10.0 QD2 LEU 122 - HA GLU 102 far 0 91 0 - 7.7-10.3 QD1 LEU 96 - HA GLU 102 far 0 82 0 - 7.8-11.3 QG1 VAL 63 - HA LEU 122 far 0 100 0 - 8.0-10.9 QD1 LEU 103 - HA LEU 96 far 0 72 0 - 8.1-10.5 QD2 LEU 119 - HA LEU 96 far 0 73 0 - 8.6-10.9 QD1 LEU 122 - HA GLU 102 far 0 70 0 - 8.7-10.3 QG1 VAL 63 - HA LEU 96 far 0 73 0 - 8.7-10.8 QD1 ILE 32 - HA GLU 102 far 0 74 0 - 9.7-18.8 QD2 LEU 119 - HA GLU 102 far 0 91 0 - 9.8-12.9 QD1 ILE 37 - HA LEU 122 far 0 87 0 - 10.0-16.0 Violated in 0 structures by 0.00 A. Peak 3862 from aliabs.peaks (8.27, 4.04, 58.49 ppm; 5.04 A): 9 out of 16 assignments used, quality = 1.00: * H LEU 123 + HA LEU 122 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 96 + HA LEU 122 OK 97 99 100 99 4.0-5.7 7310=27, 3.8/3331=25...(44) H VAL 126 + HA LEU 122 OK 95 96 100 99 3.1-4.3 3916/4.9=48...(24) H LEU 96 + HA LEU 96 OK 70 70 100 100 2.7-2.9 2.9=100 H VAL 126 + HA LEU 96 OK 65 66 100 99 3.0-5.7 3066/3.0=31, 3099/4.0=30...(30) H SER 99 + HA LEU 122 OK 65 73 95 93 4.1-6.7 3.7/3214=36, 3.7/3208=32...(25) H LEU 123 + HA LEU 96 OK 60 73 100 82 4.8-6.2 4.3/3868=19, 7737=18...(20) H SER 99 + HA LEU 96 OK 46 46 100 98 3.7-4.8 7337/3.6=34, 3.7/3214=30...(31) H LEU 43 + HA GLU 44 OK 41 43 100 96 5.1-5.4 6535/3.6=58, 1254/3.0=34...(14) H ALA 29 - HA GLU 44 far 4 44 10 - 6.1-22.5 H GLU 30 - HA GLU 44 far 0 60 0 - 7.0-22.0 H SER 99 - HA GLU 102 far 0 61 0 - 7.1-7.9 H GLU 40 - HA GLU 44 far 0 43 0 - 8.3-9.8 H ARG 23 - HA GLU 102 far 0 89 0 - 8.9-36.4 H ASP 131 - HA GLU 44 far 0 59 0 - 9.0-11.0 H ALA 29 - HA LEU 96 far 0 56 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 3863 from aliabs.peaks (8.04, 4.04, 58.49 ppm; 5.45 A): 3 out of 7 assignments used, quality = 1.00: * H CYS 125 + HA LEU 122 OK 100 100 100 100 3.2-3.7 7776/3.6=45, 7786/2.9=43...(25) H CYS 125 + HA LEU 96 OK 72 73 100 98 3.6-5.7 10359/3.0=40, 7781=31...(24) H LEU 48 + HA GLU 44 OK 57 57 100 100 3.8-4.9 6575=98, 6581/1471=82...(9) H SER 130 - HA LEU 96 far 0 71 0 - 8.7-11.2 H SER 130 - HA GLU 44 far 0 58 0 - 8.8-10.4 H SER 130 - HA LEU 122 far 0 99 0 - 9.1-10.8 H ALA 52 - HA GLU 44 far 0 50 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 3864 from aliabs.peaks (2.73, 4.04, 58.49 ppm; 4.87 A): 3 out of 6 assignments used, quality = 1.00: * HB2 CYS 125 + HA LEU 122 OK 99 100 100 99 2.2-4.7 11653/3.0=59...(25) HB2 CYS 125 + HA LEU 96 OK 73 73 100 100 1.9-4.2 10382/4.0=38...(33) HB2 ASP 47 + HA GLU 44 OK 51 51 100 100 2.8-3.9 1.8/1477=97, 1471=90...(8) HB2 CYS 73 - HA LEU 96 far 0 70 0 - 7.5-9.4 HB2 CYS 73 - HA LEU 122 far 0 99 0 - 8.2-11.6 HB3 ASP 35 - HA GLU 44 far 0 59 0 - 8.8-17.7 Violated in 0 structures by 0.00 A. Peak 3865 from aliabs.peaks (3.20, 4.04, 58.49 ppm; 5.42 A): 2 out of 3 assignments used, quality = 1.00: * HB3 CYS 125 + HA LEU 122 OK 100 100 100 100 2.2-5.0 ~11653=54, 11657/3.0=46...(26) HB3 CYS 125 + HA LEU 96 OK 73 73 100 100 1.9-4.7 9987/4.0=77, 9989/4.0=68...(33) HB3 HIS 8 - HA GLU 44 far 0 53 0 - 7.2-49.5 Violated in 0 structures by 0.00 A. Peak 3866 from aliabs.peaks (4.03, 1.61, 41.93 ppm; 4.25 A): 4 out of 14 assignments used, quality = 1.00: * HA LEU 119 + HB2 LEU 122 OK 93 100 95 98 3.1-5.9 3764/1.8=78, 3762/3.5=37...(20) HA LEU 122 + HB2 LEU 122 OK 93 93 100 100 2.4-3.0 3.0=100 HB3 SER 99 + HB2 LEU 122 OK 62 63 100 99 1.8-5.4 1.8/11374=34...(29) HA LEU 96 + HB2 LEU 122 OK 61 63 100 97 3.0-5.4 3901/3.1=17, 3858/1.8=14...(57) HA LYS 95 - HB2 LEU 122 far 0 100 0 - 6.3-9.0 HB3 SER 124 - HB2 LEU 122 far 0 95 0 - 6.4-7.9 HA LEU 103 - HB2 LEU 122 far 0 97 0 - 6.8-9.6 HA SER 60 - HB3 LEU 22 far 0 80 0 - 7.4-30.0 HA SER 50 - HB2 LEU 122 far 0 60 0 - 8.2-11.5 HA ALA 92 - HB2 LEU 122 far 0 60 0 - 8.3-11.3 HA GLU 102 - HB2 LEU 122 far 0 76 0 - 9.0-10.6 HB2 SER 38 - HB3 LEU 22 far 0 68 0 - 9.0-33.5 HA GLN 68 - HB2 LEU 122 far 0 76 0 - 9.3-14.7 HB2 SER 74 - HB2 LEU 122 far 0 57 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 3868 from aliabs.peaks (4.04, 1.61, 41.93 ppm; 4.72 A): 3 out of 12 assignments used, quality = 1.00: * HA LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 96 + HB2 LEU 122 OK 93 93 100 99 3.0-5.4 3901/3.1=23, 3855/3.5=20...(60) HA LEU 119 + HB2 LEU 122 OK 92 93 100 99 3.1-5.9 3764/1.8=80, 3762/3.5=41...(18) HA LYS 95 - HB2 LEU 122 far 0 92 0 - 6.3-9.0 HB3 SER 124 - HB2 LEU 122 far 0 65 0 - 6.4-7.9 HA LEU 103 - HB2 LEU 122 far 0 71 0 - 6.8-9.6 HA SER 60 - HB3 LEU 22 far 0 49 0 - 7.4-30.0 HB THR 65 - HB2 LEU 122 far 0 71 0 - 7.5-13.5 HA ALA 92 - HB2 LEU 122 far 0 92 0 - 8.3-11.3 HA GLU 102 - HB2 LEU 122 far 0 98 0 - 9.0-10.6 HB3 SER 74 - HB2 LEU 122 far 0 83 0 - 9.6-14.6 HB2 SER 74 - HB2 LEU 122 far 0 90 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 3869 from aliabs.peaks (1.61, 1.61, 41.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 122 + HB2 LEU 122 OK 100 100 - 100 HB3 LEU 22 + HB3 LEU 22 OK 90 90 - 100 Peak 3870 from aliabs.peaks (1.79, 1.61, 41.93 ppm; 3.36 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 122 + HB2 LEU 122 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 100 + HB2 LEU 122 OK 34 89 40 95 3.5-6.7 3903/3.1=20, 3887/3.0=13...(49) HB3 LYS 24 - HB3 LEU 22 far 6 64 10 - 3.2-8.5 HB3 LEU 103 - HB2 LEU 122 far 5 100 5 - 4.8-6.7 HB3 ARG 23 - HB3 LEU 22 far 0 54 0 - 5.3-7.2 HB3 LYS 19 - HB3 LEU 22 far 0 79 0 - 5.4-10.3 HB3 LEU 98 - HB2 LEU 122 far 0 99 0 - 6.2-9.5 HB3 LYS 26 - HB3 LEU 22 far 0 61 0 - 7.8-13.6 HB3 LYS 31 - HB3 LEU 22 far 0 68 0 - 7.9-20.6 HB2 LYS 36 - HB3 LEU 22 far 0 56 0 - 9.2-33.1 HB3 LEU 98 - HB3 LEU 22 far 0 91 0 - 9.8-37.6 Violated in 0 structures by 0.00 A. Peak 3871 from aliabs.peaks (1.60, 1.61, 41.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 122 + HB2 LEU 122 OK 100 100 - 100 HB3 LEU 22 + HB3 LEU 22 OK 86 86 - 100 Reference assignment not found: HG LEU 122 - HB2 LEU 122 Peak 3872 from aliabs.peaks (0.81, 1.61, 41.93 ppm; 4.12 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 122 + HB2 LEU 122 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 122 + HB2 LEU 122 OK 83 83 100 100 1.9-3.2 3.1=100 QD1 LEU 70 + HB2 LEU 122 OK 70 99 75 94 4.3-8.8 3895/1.8=19, ~3173=14...(47) QD1 LEU 53 - HB2 LEU 122 poor 14 95 35 43 3.5-9.4 3907/4.3=12, 3900/3.5=5...(16) QD1 LEU 103 - HB2 LEU 122 far 11 71 15 - 4.9-8.4 QD2 LEU 119 - HB2 LEU 122 far 9 89 10 - 5.5-7.6 QD2 LEU 49 - HB2 LEU 122 far 5 98 5 - 5.3-8.9 QG1 VAL 63 - HB2 LEU 122 far 0 73 0 - 6.1-9.6 QG2 ILE 129 - HB2 LEU 122 far 0 87 0 - 9.2-11.3 QG1 VAL 63 - HB3 LEU 22 far 0 64 0 - 9.3-24.5 Violated in 0 structures by 0.00 A. Peak 3873 from aliabs.peaks (0.79, 1.61, 41.93 ppm; 4.23 A): 4 out of 13 assignments used, quality = 1.00: * QD2 LEU 122 + HB2 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 122 + HB2 LEU 122 OK 83 83 100 100 2.1-3.2 3.1=100 QD1 LEU 70 + HB2 LEU 122 OK 54 68 85 93 4.3-8.8 3895/1.8=15, ~3173=15...(46) QD1 LEU 96 + HB2 LEU 122 OK 23 95 25 96 4.6-7.8 3399/1.8=22, 4.0/3868=14...(50) QD1 LEU 53 - HB2 LEU 122 poor 18 99 35 51 3.5-9.4 3907/4.3=16, 3900/3.5=7...(18) QD1 LEU 103 - HB2 LEU 122 far 15 100 15 - 4.9-8.4 QD2 LEU 119 - HB2 LEU 122 far 10 100 10 - 5.5-7.6 QD2 LEU 49 - HB2 LEU 122 far 5 97 5 - 5.3-8.9 QG1 VAL 63 - HB2 LEU 122 far 0 100 0 - 6.1-9.6 QD1 ILE 32 - HB3 LEU 22 far 0 77 0 - 8.6-17.5 QD1 ILE 32 - HB2 LEU 122 far 0 87 0 - 9.2-14.1 QG1 VAL 63 - HB3 LEU 22 far 0 93 0 - 9.3-24.5 QD1 ILE 37 - HB2 LEU 122 far 0 87 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 3875 from aliabs.peaks (4.03, 1.79, 41.93 ppm; 4.18 A): 9 out of 33 assignments used, quality = 1.00: HA LYS 95 + HB3 LEU 98 OK 96 96 100 100 2.2-4.3 2963=99, 3158/1.8=85...(25) HA LEU 122 + HB3 LEU 122 OK 93 93 100 100 2.2-2.5 3.0=100 HA LEU 103 + HB3 LEU 103 OK 88 88 100 100 2.9-3.0 3.0=100 HA LEU 96 + HB3 LEU 122 OK 61 63 100 98 1.9-5.0 3868/1.8=17, 3901/3.1=17...(56) HA GLU 102 + HB3 LEU 103 OK 54 67 85 96 5.3-5.9 3.6/7474=45...(18) HB3 SER 99 + HB3 LEU 122 OK 52 63 85 98 1.8-7.0 11702/3.1=27, ~11374=25...(31) HB3 SER 99 + HB3 LEU 98 OK 39 56 80 86 3.9-6.9 3.7/7378=24, ~11480=23...(14) HB3 SER 99 + HB3 LEU 103 OK 32 55 75 77 4.7-6.9 3372/1.8=25, ~11481=13...(17) HA LEU 96 + HB3 LEU 98 OK 28 56 55 90 5.2-7.0 4.9/2963=40, 3.6/9998=18...(25) HA GLU 44 - HB2 LEU 48 poor 16 54 45 68 4.8-7.1 6575/6584=43...(4) ! HA LEU 119 - HB3 LEU 122 far 15 100 15 - 4.6-6.8 HA LEU 122 - HB3 LEU 98 far 9 86 10 - 5.6-9.7 HA LYS 95 - HB3 LEU 122 far 5 100 5 - 5.1-9.6 HA LEU 119 - HB3 LEU 103 far 0 94 0 - 6.0-8.6 HA LEU 119 - HB3 LEU 98 far 0 96 0 - 6.6-13.7 HB3 SER 124 - HB3 LEU 122 far 0 95 0 - 7.0-8.0 HA LEU 122 - HB3 LEU 103 far 0 84 0 - 7.1-8.9 HA SER 50 - HB2 LEU 48 far 0 33 0 - 7.2-8.4 HA LEU 103 - HB3 LEU 122 far 0 97 0 - 7.2-11.1 HA ALA 92 - HB3 LEU 122 far 0 60 0 - 7.2-10.2 HA ALA 92 - HB3 LEU 98 far 0 54 0 - 7.3-9.7 HA GLU 102 - HB3 LEU 98 far 0 69 0 - 7.4-8.9 HA LEU 96 - HB3 LEU 103 far 0 55 0 - 7.4-9.3 HA LEU 103 - HB3 LEU 98 far 0 90 0 - 7.8-11.4 HA GLN 68 - HB3 LEU 122 far 0 76 0 - 8.2-13.7 HA ILE 37 - HB2 LEU 48 far 0 65 0 - 8.2-14.2 HA SER 60 - HB3 LEU 103 far 0 81 0 - 8.8-10.7 HA GLU 102 - HB3 LEU 122 far 0 76 0 - 9.0-11.4 HB2 SER 74 - HB3 LEU 122 far 0 57 0 - 9.0-13.0 HA GLN 68 - HB2 LEU 48 far 0 43 0 - 9.1-14.4 HB3 SER 124 - HB3 LEU 98 far 0 88 0 - 9.2-13.9 HB2 SER 74 - HB3 LEU 98 far 0 51 0 - 9.2-11.7 HA SER 50 - HB3 LEU 122 far 0 60 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 3876 from aliabs.peaks (8.18, 1.79, 41.93 ppm; 5.91 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.8-3.6 3.5=100 H GLN 127 + HB3 LEU 122 OK 52 97 60 89 6.5-7.9 4.4/11678=41...(13) H LEU 122 + HB3 LEU 103 OK 51 94 85 64 6.3-8.5 11715/3.1=13, ~3386=10...(19) H LEU 122 - HB3 LEU 98 poor 11 96 45 24 6.8-10.1 3855/3877=4, 7734/3883=3...(11) Violated in 0 structures by 0.00 A. Peak 3877 from aliabs.peaks (4.04, 1.79, 41.93 ppm; 4.32 A): 7 out of 31 assignments used, quality = 1.00: * HA LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.2-2.5 3.0=100 HA LEU 96 + HB3 LEU 122 OK 92 93 100 99 1.9-5.0 3868/1.8=22, 3901/3.1=21...(60) HA LYS 95 + HB3 LEU 98 OK 85 85 100 100 2.2-4.3 2963=86, 3158/1.8=78...(25) HA GLU 102 + HB3 LEU 103 OK 79 90 90 98 5.3-5.9 7484/7488=52...(20) HA LEU 103 + HB3 LEU 103 OK 62 62 100 100 2.9-3.0 3.0=100 HA LEU 96 + HB3 LEU 98 OK 52 86 65 93 5.2-7.0 4.9/2963=42, 3.6/9998=19...(25) HA GLU 44 + HB2 LEU 48 OK 22 66 45 73 4.8-7.1 6575/6584=51...(5) HA LEU 119 - HB3 LEU 122 poor 19 93 20 - 4.6-6.8 HB THR 65 - HB2 LEU 48 poor 16 39 40 - 3.3-9.7 HA LEU 122 - HB3 LEU 98 far 14 96 15 - 5.6-9.7 HA LYS 95 - HB3 LEU 122 far 9 92 10 - 5.1-9.6 HA LEU 119 - HB3 LEU 103 far 0 84 0 - 6.0-8.6 HB THR 65 - HB3 LEU 122 far 0 71 0 - 6.3-13.4 HA LEU 119 - HB3 LEU 98 far 0 86 0 - 6.6-13.7 HB3 SER 124 - HB3 LEU 122 far 0 65 0 - 7.0-8.0 HA LEU 122 - HB3 LEU 103 far 0 94 0 - 7.1-8.9 HA LEU 103 - HB3 LEU 122 far 0 71 0 - 7.2-11.1 HA ALA 92 - HB3 LEU 122 far 0 92 0 - 7.2-10.2 HA ALA 92 - HB3 LEU 98 far 0 85 0 - 7.3-9.7 HA GLU 102 - HB3 LEU 98 far 0 92 0 - 7.4-8.9 HA LEU 96 - HB3 LEU 103 far 0 84 0 - 7.4-9.3 HA LEU 103 - HB3 LEU 98 far 0 64 0 - 7.8-11.4 HA ILE 37 - HB2 LEU 48 far 0 49 0 - 8.2-14.2 HA SER 60 - HB3 LEU 103 far 0 50 0 - 8.8-10.7 HA GLU 102 - HB3 LEU 122 far 0 98 0 - 9.0-11.4 HB2 SER 74 - HB3 LEU 122 far 0 90 0 - 9.0-13.0 HB3 SER 74 - HB3 LEU 122 far 0 83 0 - 9.1-13.0 HB THR 65 - HB3 LEU 103 far 0 62 0 - 9.2-13.5 HB3 SER 124 - HB3 LEU 98 far 0 59 0 - 9.2-13.9 HB2 SER 74 - HB3 LEU 98 far 0 83 0 - 9.2-11.7 HB3 SER 74 - HB3 LEU 98 far 0 75 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 3878 from aliabs.peaks (1.61, 1.79, 41.93 ppm; 3.13 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LEU 122 + HB3 LEU 122 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 122 - HB3 LEU 103 far 5 94 5 - 4.6-7.9 HB2 LEU 122 - HB3 LEU 103 far 0 94 0 - 4.8-6.7 HG LEU 70 - HB3 LEU 122 far 0 100 0 - 4.9-7.1 HG LEU 119 - HB3 LEU 103 far 0 86 0 - 5.8-10.5 HB2 LEU 122 - HB3 LEU 98 far 0 96 0 - 6.2-9.5 HG LEU 122 - HB3 LEU 98 far 0 95 0 - 6.8-12.2 HG LEU 70 - HB3 LEU 103 far 0 94 0 - 7.2-10.3 HG LEU 119 - HB3 LEU 122 far 0 95 0 - 7.2-9.8 HG3 ARG 23 - HB3 LEU 98 far 0 90 0 - 7.5-37.9 HG LEU 70 - HB3 LEU 98 far 0 96 0 - 7.9-10.1 HG LEU 119 - HB3 LEU 98 far 0 88 0 - 8.8-15.8 HG3 ARG 23 - HB2 LEU 48 far 0 60 0 - 8.9-30.4 HG LEU 22 - HB2 LEU 48 far 0 59 0 - 8.9-31.1 HB3 LEU 22 - HB3 LEU 98 far 0 93 0 - 9.8-37.6 Violated in 0 structures by 0.00 A. Peak 3879 from aliabs.peaks (1.79, 1.79, 41.93 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 122 + HB3 LEU 122 OK 100 100 - 100 HB3 LEU 103 + HB3 LEU 103 OK 94 94 - 100 HB3 LEU 98 + HB3 LEU 98 OK 94 94 - 100 HB2 LEU 48 + HB2 LEU 48 OK 60 60 - 100 Peak 3880 from aliabs.peaks (1.60, 1.79, 41.93 ppm; 3.75 A): 3 out of 19 assignments used, quality = 1.00: * HG LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 122 + HB3 LEU 122 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 103 + HB3 LEU 103 OK 57 57 100 100 1.8-1.8 1.8=100 HG LEU 122 - HB3 LEU 103 poor 19 94 40 50 4.6-7.9 2.1/3903=6, 3887=6...(21) HB2 LEU 122 - HB3 LEU 103 poor 14 94 30 50 4.8-6.7 3.5/3876=6, ~3386=6...(21) HG LEU 70 - HB3 LEU 122 far 10 99 10 - 4.9-7.1 HB2 LEU 103 - HB3 LEU 122 far 3 65 5 - 5.2-9.7 HG LEU 119 - HB3 LEU 103 far 0 79 0 - 5.8-10.5 HB2 LEU 122 - HB3 LEU 98 far 0 95 0 - 6.2-9.5 HG LEU 122 - HB3 LEU 98 far 0 96 0 - 6.8-12.2 HG LEU 70 - HB3 LEU 103 far 0 92 0 - 7.2-10.3 HG LEU 119 - HB3 LEU 122 far 0 89 0 - 7.2-9.8 HG3 ARG 23 - HB3 LEU 98 far 0 85 0 - 7.5-37.9 HB2 LEU 103 - HB3 LEU 98 far 0 59 0 - 7.5-10.7 HG LEU 70 - HB3 LEU 98 far 0 94 0 - 7.9-10.1 HG LEU 119 - HB3 LEU 98 far 0 81 0 - 8.8-15.8 HG3 ARG 23 - HB2 LEU 48 far 0 55 0 - 8.9-30.4 HG LEU 22 - HB2 LEU 48 far 0 54 0 - 8.9-31.1 HB3 LEU 22 - HB3 LEU 98 far 0 89 0 - 9.8-37.6 Violated in 0 structures by 0.00 A. Peak 3881 from aliabs.peaks (0.81, 1.79, 41.93 ppm; 3.72 A): 6 out of 31 assignments used, quality = 1.00: * QD1 LEU 122 + HB3 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 QD2 LEU 122 + HB3 LEU 122 OK 83 83 100 100 2.2-3.2 3.1=100 QD1 LEU 70 + HB3 LEU 122 OK 79 99 85 94 3.1-7.6 3895=22, 3872/1.8=17...(54) QD1 LEU 103 + HB3 LEU 103 OK 62 62 100 100 2.0-3.2 3.2=100 QG1 VAL 63 + HB3 LEU 103 OK 38 64 60 98 3.7-5.7 10965/3.0=25, ~11509=22...(38) QD2 LEU 49 + HB2 LEU 48 OK 33 62 55 96 4.1-6.7 6607/6598=28, ~9205=22...(40) QD2 LEU 122 - HB3 LEU 103 poor 12 73 30 56 3.4-6.8 3903=6, 2.1/3880=5...(25) QD1 LEU 53 - HB3 LEU 122 far 9 95 10 - 4.5-9.1 QD1 LEU 122 - HB3 LEU 103 far 9 94 10 - 4.6-6.5 QD2 LEU 49 - HB3 LEU 122 far 5 98 5 - 4.1-8.1 QD1 LEU 70 - HB3 LEU 103 far 5 93 5 - 5.0-9.1 QD1 LEU 103 - HB3 LEU 122 far 0 71 0 - 5.9-9.6 QD2 LEU 119 - HB3 LEU 103 far 0 79 0 - 5.9-8.2 QD1 LEU 70 - HB3 LEU 98 far 0 94 0 - 6.0-8.7 QD2 LEU 122 - HB3 LEU 98 far 0 75 0 - 6.1-10.2 QG1 VAL 63 - HB3 LEU 122 far 0 73 0 - 6.1-9.4 QD1 LEU 53 - HB3 LEU 103 far 0 86 0 - 6.3-13.4 QD1 LEU 122 - HB3 LEU 98 far 0 96 0 - 6.5-10.3 QD1 LEU 53 - HB2 LEU 48 far 0 58 0 - 6.7-10.6 QD2 LEU 119 - HB3 LEU 122 far 0 89 0 - 6.8-8.6 QD2 LEU 119 - HB3 LEU 98 far 0 81 0 - 7.0-14.1 QD2 LEU 122 - HB2 LEU 48 far 0 48 0 - 7.9-12.7 QG2 ILE 129 - HB3 LEU 122 far 0 87 0 - 8.1-10.4 QD2 LEU 49 - HB3 LEU 103 far 0 90 0 - 8.1-11.5 QD1 LEU 70 - HB2 LEU 48 far 0 64 0 - 8.1-15.4 QD1 LEU 122 - HB2 LEU 48 far 0 66 0 - 8.5-12.4 QD1 LEU 103 - HB3 LEU 98 far 0 64 0 - 8.5-11.1 QD2 LEU 119 - HB2 LEU 48 far 0 53 0 - 8.9-19.0 QG1 VAL 63 - HB2 LEU 48 far 0 41 0 - 9.2-14.0 QG2 ILE 129 - HB2 LEU 48 far 0 51 0 - 9.7-13.9 QD1 LEU 53 - HB3 LEU 98 far 0 88 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3882 from aliabs.peaks (0.79, 1.79, 41.93 ppm; 3.68 A): 7 out of 38 assignments used, quality = 1.00: * QD2 LEU 122 + HB3 LEU 122 OK 100 100 100 100 2.2-3.2 3.1=100 QD1 LEU 103 + HB3 LEU 103 OK 93 93 100 100 2.0-3.2 3.2=100 QD1 LEU 122 + HB3 LEU 122 OK 83 83 100 100 1.9-3.2 3.1=100 QG1 VAL 63 + HB3 LEU 103 OK 56 94 60 99 3.7-5.7 10965/3.0=39, 10963=30...(40) QD1 LEU 70 + HB3 LEU 122 OK 52 68 85 90 3.1-7.6 3895=16, 2.1/3173=15...(48) QD1 LEU 96 + HB3 LEU 122 OK 44 95 50 92 3.6-6.6 3399=23, 10382/11653=15...(53) QD2 LEU 49 + HB2 LEU 48 OK 29 60 50 95 4.1-6.7 5.0/6598=27, ~9205=21...(40) QD2 LEU 122 - HB3 LEU 103 poor 17 94 30 61 3.4-6.8 3903=9, 11388/3269=7...(25) QD1 ILE 32 - HB2 LEU 48 poor 10 51 20 - 4.2-14.9 QD1 LEU 53 - HB3 LEU 122 far 10 99 10 - 4.5-9.1 QD1 LEU 122 - HB3 LEU 103 far 7 73 10 - 4.6-6.5 QD2 LEU 49 - HB3 LEU 122 far 5 97 5 - 4.1-8.1 QD1 LEU 70 - HB3 LEU 103 far 3 60 5 - 5.0-9.1 QD1 LEU 96 - HB3 LEU 98 far 0 88 0 - 5.6-8.2 QD1 LEU 96 - HB3 LEU 103 far 0 86 0 - 5.8-10.1 QD1 LEU 103 - HB3 LEU 122 far 0 100 0 - 5.9-9.6 QD2 LEU 119 - HB3 LEU 103 far 0 94 0 - 5.9-8.2 QD1 LEU 70 - HB3 LEU 98 far 0 61 0 - 6.0-8.7 QD2 LEU 122 - HB3 LEU 98 far 0 96 0 - 6.1-10.2 QG1 VAL 63 - HB3 LEU 122 far 0 100 0 - 6.1-9.4 QD1 LEU 53 - HB3 LEU 103 far 0 92 0 - 6.3-13.4 QD1 ILE 37 - HB2 LEU 48 far 0 51 0 - 6.4-14.1 QD1 LEU 122 - HB3 LEU 98 far 0 75 0 - 6.5-10.3 QD1 LEU 53 - HB2 LEU 48 far 0 64 0 - 6.7-10.6 QD2 LEU 119 - HB3 LEU 122 far 0 100 0 - 6.8-8.6 QD2 LEU 119 - HB3 LEU 98 far 0 96 0 - 7.0-14.1 QD2 LEU 122 - HB2 LEU 48 far 0 66 0 - 7.9-12.7 QD2 LEU 49 - HB3 LEU 103 far 0 88 0 - 8.1-11.5 QD1 LEU 70 - HB2 LEU 48 far 0 38 0 - 8.1-15.4 QD1 ILE 32 - HB3 LEU 103 far 0 77 0 - 8.4-15.4 QD1 LEU 122 - HB2 LEU 48 far 0 48 0 - 8.5-12.4 QD1 LEU 103 - HB3 LEU 98 far 0 95 0 - 8.5-11.1 QD1 ILE 32 - HB3 LEU 122 far 0 87 0 - 8.6-13.6 QD1 ILE 37 - HB3 LEU 122 far 0 87 0 - 8.7-15.3 QD2 LEU 119 - HB2 LEU 48 far 0 66 0 - 8.9-19.0 QG1 VAL 63 - HB2 LEU 48 far 0 65 0 - 9.2-14.0 QD1 LEU 96 - HB2 LEU 48 far 0 58 0 - 9.7-14.0 QD1 LEU 53 - HB3 LEU 98 far 0 94 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 3883 from aliabs.peaks (8.27, 1.79, 41.93 ppm; 4.92 A): 7 out of 19 assignments used, quality = 1.00: * H LEU 123 + HB3 LEU 122 OK 100 100 100 100 3.7-4.2 4.3=100 H VAL 126 + HB3 LEU 122 OK 93 96 100 98 4.2-5.5 4.7/11653=46...(21) H LEU 96 + HB3 LEU 98 OK 90 93 100 97 5.0-6.3 3.6/2963=73...(16) H LEU 96 + HB3 LEU 122 OK 78 99 80 99 4.4-7.1 2.9/3858=22, 3862/3.0=20...(43) H SER 99 + HB3 LEU 98 OK 66 66 100 100 2.2-3.8 4.6=100 H SER 99 + HB3 LEU 122 OK 60 73 85 96 3.1-7.8 3.7/11472=20, ~11481=19...(33) H SER 99 + HB3 LEU 103 OK 28 64 55 80 6.0-7.6 ~11481=20, 3.4/7399=17...(16) H ALA 29 - HB2 LEU 48 poor 17 49 35 - 3.3-20.5 H GLU 30 - HB2 LEU 48 far 10 66 15 - 6.1-21.8 H ARG 23 - HB3 LEU 98 far 0 94 0 - 6.7-37.3 H LEU 123 - HB3 LEU 103 far 0 94 0 - 7.7-9.0 H VAL 126 - HB3 LEU 98 far 0 89 0 - 8.3-12.3 H ARG 23 - HB2 LEU 48 far 0 64 0 - 8.5-27.4 H LEU 43 - HB2 LEU 48 far 0 48 0 - 8.7-11.2 H LEU 123 - HB3 LEU 98 far 0 96 0 - 8.8-12.5 H ALA 29 - HB3 LEU 98 far 0 78 0 - 9.2-24.5 H ALA 29 - HB3 LEU 103 far 0 76 0 - 9.3-20.4 H LEU 96 - HB3 LEU 103 far 0 91 0 - 9.8-11.3 H VAL 126 - HB3 LEU 103 far 0 87 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3885 from aliabs.peaks (4.04, 1.60, 27.00 ppm; 4.36 A): 5 out of 33 assignments used, quality = 1.00: * HA LEU 122 + HG LEU 122 OK 100 100 100 100 3.5-4.2 4.3=100 HA LEU 119 + HG LEU 122 OK 81 93 90 96 3.4-6.2 3764/3.0=58, 3762/4.6=28...(19) HA LEU 96 + HG LEU 122 OK 66 93 75 94 3.4-6.1 3901/2.1=25, 3868/3.0=18...(35) HA LEU 119 + HG LEU 119 OK 60 60 100 100 2.4-4.1 3.7=100 HA LEU 96 + HG LEU 70 OK 22 88 25 98 5.2-7.3 ~11916=26, ~9496=26...(28) HB2 SER 74 - HG LEU 70 poor 13 85 35 43 4.1-9.2 ~9842=32, 2282/11117=9...(6) HB3 SER 74 - HG LEU 70 poor 10 77 30 43 4.1-8.0 ~9842=32, 2341/11117=9...(5) HB THR 65 - HG LEU 122 far 4 71 5 - 5.6-11.3 HA LEU 122 - HG LEU 70 far 0 97 0 - 5.9-8.2 HA LEU 103 - HG LEU 119 far 0 42 0 - 6.1-10.8 HB3 SER 124 - HG LEU 122 far 0 65 0 - 6.3-8.7 HA LEU 103 - HG LEU 122 far 0 71 0 - 6.7-10.9 HA ILE 37 - HG3 ARG 23 far 0 59 0 - 7.1-28.7 HA LYS 95 - HG LEU 122 far 0 92 0 - 7.2-10.8 HA GLU 102 - HG3 ARG 23 far 0 73 0 - 7.3-36.7 HB THR 65 - HG LEU 70 far 0 65 0 - 7.6-12.0 HA LYS 95 - HG LEU 70 far 0 86 0 - 7.8-10.4 HA SER 60 - HG LEU 119 far 0 33 0 - 7.9-15.0 HB THR 65 - HG LEU 119 far 0 42 0 - 8.1-16.4 HA GLU 102 - HG LEU 70 far 0 94 0 - 8.3-11.6 HA ALA 92 - HG LEU 70 far 0 86 0 - 8.5-12.1 HA LEU 122 - HG LEU 119 far 0 70 0 - 8.5-10.2 HA GLU 102 - HG LEU 122 far 0 98 0 - 8.8-12.3 HB THR 65 - HG3 ARG 23 far 0 47 0 - 8.8-25.5 HA ALA 92 - HG LEU 122 far 0 92 0 - 9.1-12.4 HB3 SER 124 - HG LEU 119 far 0 38 0 - 9.1-11.1 HA SER 60 - HG3 ARG 23 far 0 37 0 - 9.2-29.6 HA LEU 119 - HG LEU 70 far 0 88 0 - 9.3-13.1 HA SER 60 - HG LEU 22 far 0 30 0 - 9.3-31.0 HA LEU 103 - HG3 ARG 23 far 0 47 0 - 9.4-37.1 HA LEU 103 - HG LEU 70 far 0 65 0 - 9.6-12.8 HA SER 60 - HG LEU 122 far 0 57 0 - 9.7-14.6 HA LEU 96 - HG LEU 119 far 0 60 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3886 from aliabs.peaks (1.61, 1.60, 27.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG LEU 122 + HG LEU 122 OK 100 100 - 100 HG LEU 70 + HG LEU 70 OK 97 97 - 100 HG3 ARG 23 + HG3 ARG 23 OK 71 71 - 100 HG LEU 119 + HG LEU 119 OK 61 61 - 100 HG LEU 22 + HG LEU 22 OK 58 58 - 100 Reference assignment not found: HB2 LEU 122 - HG LEU 122 Peak 3887 from aliabs.peaks (1.79, 1.60, 27.00 ppm; 3.66 A): 4 out of 31 assignments used, quality = 1.00: * HB3 LEU 122 + HG LEU 122 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 100 + HG LEU 122 OK 83 89 95 98 2.8-6.2 3903/2.1=30, ~11388=18...(47) HG LEU 100 + HG LEU 70 OK 55 83 70 96 2.7-7.3 ~11115=41, ~9487=34...(24) HB3 ARG 23 + HG3 ARG 23 OK 41 41 100 100 2.2-3.0 3.0=100 HB3 LEU 103 - HG LEU 122 poor 18 100 35 51 4.6-7.9 3880=7, 3903/2.1=6...(20) HB3 LYS 19 - HG LEU 22 poor 16 52 30 - 3.5-10.7 HB3 LEU 122 - HG LEU 70 far 10 97 10 - 4.9-7.1 HB3 LYS 19 - HG3 ARG 23 far 3 62 5 - 3.4-12.2 HB3 LYS 26 - HG3 ARG 23 far 2 47 5 - 4.8-14.3 HB3 LYS 24 - HG LEU 22 far 2 41 5 - 4.9-9.8 HB3 LYS 31 - HG3 ARG 23 far 0 53 0 - 5.5-21.5 HB2 LYS 36 - HG3 ARG 23 far 0 43 0 - 5.5-28.1 HB3 LEU 103 - HG LEU 119 far 0 69 0 - 5.8-10.5 HB3 ARG 23 - HG LEU 22 far 0 34 0 - 6.2-8.2 HB3 LYS 24 - HG3 ARG 23 far 0 49 0 - 6.4-8.9 HG LEU 100 - HG LEU 119 far 0 55 0 - 6.6-11.3 HB3 LEU 98 - HG LEU 122 far 0 99 0 - 6.8-12.2 HB3 LYS 31 - HG LEU 22 far 0 44 0 - 6.9-22.8 HB ILE 32 - HG3 ARG 23 far 0 55 0 - 7.2-21.7 HB3 LEU 103 - HG LEU 70 far 0 97 0 - 7.2-10.3 HB3 LEU 122 - HG LEU 119 far 0 70 0 - 7.2-9.8 HB3 LEU 98 - HG3 ARG 23 far 0 74 0 - 7.5-37.9 HB3 LEU 98 - HG LEU 70 far 0 95 0 - 7.9-10.1 HB3 LYS 26 - HG LEU 22 far 0 39 0 - 7.9-15.3 HB ILE 32 - HG LEU 70 far 0 75 0 - 8.5-13.8 HB3 LEU 98 - HG LEU 119 far 0 67 0 - 8.8-15.8 HB2 LEU 48 - HG3 ARG 23 far 0 71 0 - 8.9-30.4 HB2 LEU 48 - HG LEU 22 far 0 59 0 - 8.9-31.1 HB2 LYS 36 - HG LEU 22 far 0 36 0 - 9.1-33.5 HB2 LYS 36 - HG LEU 70 far 0 60 0 - 9.9-18.1 HB3 LYS 26 - HG LEU 119 far 0 42 0 - 9.9-26.0 Violated in 0 structures by 0.00 A. Peak 3888 from aliabs.peaks (1.60, 1.60, 27.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG LEU 122 + HG LEU 122 OK 100 100 - 100 HG LEU 70 + HG LEU 70 OK 95 95 - 100 HG3 ARG 23 + HG3 ARG 23 OK 65 65 - 100 HG LEU 119 + HG LEU 119 OK 55 55 - 100 HG LEU 22 + HG LEU 22 OK 53 53 - 100 Peak 3889 from aliabs.peaks (0.81, 1.60, 27.00 ppm; 2.97 A): 6 out of 29 assignments used, quality = 1.00: * QD1 LEU 122 + HG LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 70 OK 96 96 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 122 OK 83 83 100 100 2.1-2.1 2.1=100 QD2 LEU 119 + HG LEU 119 OK 55 55 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 122 OK 41 99 55 75 2.5-8.1 2.1/2272=16, 2264=16...(29) QD2 LEU 122 + HG LEU 70 OK 30 77 50 77 3.2-8.5 2273/2.1=12, 3902=9...(37) QD1 LEU 122 - HG LEU 70 far 15 97 15 - 3.4-8.1 QD1 LEU 53 - HG LEU 119 poor 12 61 20 - 3.3-9.7 QD2 LEU 49 - HG LEU 122 far 10 98 10 - 3.9-7.2 QD1 LEU 122 - HG LEU 119 poor 9 70 30 45 3.9-9.0 11702/3.7=14, 3770/2.9=8...(13) QD2 LEU 122 - HG LEU 119 far 8 51 15 - 3.6-8.2 QD1 LEU 103 - HG LEU 119 far 6 42 15 - 3.2-7.5 QD1 LEU 53 - HG LEU 122 poor 6 95 30 20 2.0-9.1 ~1667=2, ~1667=2, 3904=2...(12) QD2 LEU 49 - HG LEU 70 far 0 94 0 - 4.7-9.7 QG1 VAL 63 - HG LEU 122 far 0 73 0 - 4.8-9.3 QD1 LEU 103 - HG LEU 122 far 0 71 0 - 4.8-8.8 QD2 LEU 119 - HG LEU 122 far 0 89 0 - 5.1-7.5 QG1 VAL 63 - HG LEU 70 far 0 68 0 - 5.4-8.6 QG1 VAL 63 - HG LEU 119 far 0 44 0 - 6.0-12.2 QD1 LEU 53 - HG LEU 70 far 0 89 0 - 6.5-13.5 QD1 LEU 103 - HG LEU 70 far 0 65 0 - 6.5-11.5 QG2 ILE 129 - HG LEU 70 far 0 81 0 - 6.6-8.9 QG1 VAL 63 - HG3 ARG 23 far 0 49 0 - 7.2-25.0 QD2 LEU 49 - HG LEU 119 far 0 65 0 - 7.7-11.8 QD1 LEU 70 - HG LEU 119 far 0 68 0 - 8.4-12.7 QD1 LEU 103 - HG3 ARG 23 far 0 47 0 - 8.8-30.1 QD2 LEU 119 - HG LEU 70 far 0 83 0 - 9.0-13.3 QG2 ILE 129 - HG LEU 122 far 0 87 0 - 9.3-10.9 QG2 ILE 80 - HG LEU 70 far 0 94 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 3890 from aliabs.peaks (0.79, 1.60, 27.00 ppm; 3.97 A): 11 out of 38 assignments used, quality = 1.00: * QD2 LEU 122 + HG LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 96 + HG LEU 70 OK 85 89 100 95 1.6-4.6 ~11917=24, ~11916=20...(23) QD1 LEU 122 + HG LEU 122 OK 83 83 100 100 2.1-2.1 2.1=100 QD2 LEU 119 + HG LEU 119 OK 69 69 100 100 2.1-2.1 2.1=100 QD2 LEU 122 + HG LEU 70 OK 64 97 70 95 3.2-8.5 3902=21, ~2272=16...(47) QD1 LEU 70 + HG LEU 70 OK 63 63 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 122 OK 47 68 75 92 2.5-8.1 2.1/2272=27, 3872/3.0=14...(35) QD1 LEU 122 + HG LEU 70 OK 24 77 35 91 3.4-8.1 2.1/3902=16, ~2272=16...(35) QD1 LEU 103 + HG LEU 119 OK 23 68 55 61 3.2-7.5 11426/4.6=26...(9) QD1 LEU 122 + HG LEU 119 OK 22 51 65 68 3.9-9.0 11702/3.7=19...(18) QD1 LEU 53 + HG LEU 122 OK 21 99 50 42 2.0-9.1 3900/4.6=5, 3907/7745=5...(15) QD2 LEU 119 - HG LEU 122 poor 20 100 20 - 5.1-7.5 QD1 LEU 96 - HG LEU 122 poor 19 95 25 81 3.2-6.9 3399/3.0=16, ~10337=12...(27) QD1 LEU 53 - HG LEU 119 poor 17 67 25 - 3.3-9.7 QD2 LEU 122 - HG LEU 119 poor 13 70 30 64 3.6-8.2 3759/3.7=13, ~3770=9...(19) QD2 LEU 49 - HG LEU 122 poor 11 97 40 29 3.9-7.2 11614/11677=5, ~1561=5...(11) QG1 VAL 63 - HG LEU 122 far 10 100 10 - 4.8-9.3 QG1 VAL 63 - HG LEU 70 far 10 96 10 - 5.4-8.6 QD2 LEU 49 - HG LEU 70 poor 5 92 25 22 4.7-9.7 11700/5.0=15, 9206/3.7=3...(4) QD1 LEU 103 - HG LEU 122 far 5 100 5 - 4.8-8.8 QD1 ILE 32 - HG3 ARG 23 far 3 60 5 - 5.4-16.6 QG1 VAL 63 - HG LEU 119 far 0 69 0 - 6.0-12.2 QD1 ILE 37 - HG LEU 70 far 0 81 0 - 6.2-11.0 QD1 ILE 32 - HG LEU 70 far 0 81 0 - 6.2-11.2 QD1 LEU 53 - HG LEU 70 far 0 95 0 - 6.5-13.5 QD1 LEU 103 - HG LEU 70 far 0 96 0 - 6.5-11.5 QD1 ILE 37 - HG3 ARG 23 far 0 60 0 - 7.0-23.5 QG1 VAL 63 - HG3 ARG 23 far 0 76 0 - 7.2-25.0 QD2 LEU 49 - HG LEU 119 far 0 63 0 - 7.7-11.8 QD1 ILE 32 - HG LEU 122 far 0 87 0 - 8.3-12.5 QD1 LEU 70 - HG LEU 119 far 0 40 0 - 8.4-12.7 QD1 ILE 32 - HG LEU 22 far 0 50 0 - 8.6-18.9 QD1 LEU 103 - HG3 ARG 23 far 0 76 0 - 8.8-30.1 QD2 LEU 119 - HG LEU 70 far 0 97 0 - 9.0-13.3 QD1 ILE 37 - HG LEU 122 far 0 87 0 - 9.6-15.5 QD1 LEU 96 - HG LEU 119 far 0 61 0 - 9.8-12.7 QG2 ILE 80 - HG LEU 70 far 0 55 0 - 9.8-16.0 QD1 ILE 32 - HG LEU 119 far 0 54 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 3892 from aliabs.peaks (8.18, 0.81, 25.60 ppm; 6.80 A): 4 out of 4 assignments used, quality = 1.00: * H LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.9-4.4 4.3=100 H GLN 127 + QD1 LEU 122 OK 91 97 100 94 4.3-7.1 4.3/11676=32...(15) H LEU 122 + QD1 LEU 70 OK 83 95 95 92 5.6-10.1 3.5/3872=26, 3.5/3895=23...(20) H GLN 127 + QD1 LEU 70 OK 39 89 80 55 5.1-10.0 3.6/11098=15...(10) Violated in 0 structures by 0.00 A. Peak 3893 from aliabs.peaks (4.04, 0.81, 25.60 ppm; 3.91 A): 5 out of 25 assignments used, quality = 1.00: * HA LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.7-4.1 3.8=100 HA LEU 119 + QD1 LEU 122 OK 75 93 85 95 2.0-5.7 3764/3.1=46, 3759=25...(25) HA LEU 96 + QD1 LEU 70 OK 75 85 90 98 3.7-7.0 5.0/10000=30...(41) HA LEU 96 + QD1 LEU 122 OK 67 93 80 90 2.1-5.9 3868/3.1=14, 3060/2.1=13...(39) HA LEU 122 + QD1 LEU 70 OK 51 95 70 77 3.9-8.4 3.0/3872=14, 3.0/3895=14...(27) HB2 SER 74 - QD1 LEU 70 poor 16 82 20 - 2.0-7.3 HB3 SER 124 - QD1 LEU 122 poor 16 65 25 - 5.2-7.7 HB3 SER 74 - QD1 LEU 70 poor 11 74 35 41 2.8-7.1 ~9842=25, 2341/11115=10...(9) HB THR 65 - QD1 LEU 122 far 11 71 15 - 3.3-9.2 HA LYS 95 - QD1 LEU 70 far 0 83 0 - 6.2-9.1 HA LYS 95 - QD1 LEU 122 far 0 92 0 - 6.2-9.7 HA LEU 103 - QD1 LEU 122 far 0 71 0 - 6.3-9.0 HA GLU 102 - QD1 LEU 70 far 0 91 0 - 6.5-9.8 HA LEU 119 - QD1 LEU 70 far 0 85 0 - 6.6-10.9 HB THR 65 - QD1 LEU 70 far 0 62 0 - 6.7-9.7 HA SER 60 - QD1 LEU 122 far 0 57 0 - 6.8-12.0 HA ALA 92 - QD1 LEU 122 far 0 92 0 - 6.9-10.8 HA ALA 92 - QD1 LEU 70 far 0 83 0 - 7.2-9.8 HA LEU 103 - QD1 LEU 70 far 0 62 0 - 7.3-10.6 HB3 SER 74 - QD1 LEU 122 far 0 83 0 - 7.4-12.9 HB3 SER 124 - QD1 LEU 70 far 0 58 0 - 7.4-13.1 HB2 SER 74 - QD1 LEU 122 far 0 90 0 - 8.1-12.5 HA ILE 37 - QD1 LEU 70 far 0 76 0 - 8.6-14.5 HA GLU 102 - QD1 LEU 122 far 0 98 0 - 8.7-10.3 HA ILE 37 - QD1 LEU 122 far 0 85 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 3894 from aliabs.peaks (1.61, 0.81, 25.60 ppm; 3.90 A): 7 out of 8 assignments used, quality = 1.00: * HB2 LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 70 + QD1 LEU 70 OK 94 94 100 100 2.1-2.1 2.1=100 HG LEU 122 + QD1 LEU 70 OK 64 94 75 91 2.5-8.1 2272/2.1=27, 3.0/3872=14...(39) HB2 LEU 122 + QD1 LEU 70 OK 52 95 60 92 4.3-8.8 3872=22, 1.8/3895=18...(42) HG LEU 119 + QD1 LEU 122 OK 40 95 60 70 3.9-9.0 3.7/11702=24...(19) HG LEU 70 + QD1 LEU 122 OK 28 100 30 92 3.4-8.1 2.1/2273=17, ~2272=16...(42) HG LEU 119 - QD1 LEU 70 far 0 86 0 - 8.4-12.7 Violated in 0 structures by 0.00 A. Peak 3895 from aliabs.peaks (1.79, 0.81, 25.60 ppm; 3.78 A): 4 out of 15 assignments used, quality = 1.00: * HB3 LEU 122 + QD1 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 100 + QD1 LEU 122 OK 79 89 90 99 1.8-5.6 2.1/9487=26, 3887/2.1=20...(43) HB3 LEU 122 + QD1 LEU 70 OK 76 95 85 94 3.1-7.6 3881=19, 3173/2.1=17...(54) HG LEU 100 + QD1 LEU 70 OK 75 80 95 99 2.0-5.5 2.1/9487=61, ~11115=44...(35) HB3 LEU 103 - QD1 LEU 122 far 15 100 15 - 4.6-6.5 HB3 LEU 103 - QD1 LEU 70 far 9 94 10 - 5.0-9.1 HB3 LEU 98 - QD1 LEU 70 far 0 92 0 - 6.0-8.7 HB ILE 32 - QD1 LEU 70 far 0 72 0 - 6.4-12.9 HB3 LEU 98 - QD1 LEU 122 far 0 99 0 - 6.5-10.3 HB2 LEU 48 - QD1 LEU 70 far 0 89 0 - 8.1-15.4 HB2 LEU 48 - QD1 LEU 122 far 0 97 0 - 8.5-12.4 HB ILE 32 - QD1 LEU 122 far 0 81 0 - 8.9-15.4 HB3 LYS 26 - QD1 LEU 122 far 0 71 0 - 9.0-18.7 HB3 LYS 31 - QD1 LEU 70 far 0 70 0 - 9.2-18.0 HB3 LYS 24 - QD1 LEU 70 far 0 65 0 - 9.6-22.2 Violated in 0 structures by 0.00 A. Peak 3896 from aliabs.peaks (1.60, 0.81, 25.60 ppm; 3.13 A): 4 out of 10 assignments used, quality = 1.00: * HG LEU 122 + QD1 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 122 + QD1 LEU 122 OK 99 100 100 100 2.1-3.2 3.1=98, 4.3/3899=17...(27) HG LEU 70 + QD1 LEU 70 OK 92 92 100 100 2.1-2.1 2.1=100 HG LEU 122 + QD1 LEU 70 OK 48 95 65 78 2.5-8.1 2272/2.1=18, 2257=10...(35) HG LEU 70 - QD1 LEU 122 poor 20 99 20 - 3.4-8.1 HG LEU 119 - QD1 LEU 122 poor 15 89 35 49 3.9-9.0 3.7/11702=16, 2.9/3770=9...(14) HB2 LEU 122 - QD1 LEU 70 far 14 94 15 - 4.3-8.8 HB2 LEU 103 - QD1 LEU 122 far 3 65 5 - 4.3-7.7 HB2 LEU 103 - QD1 LEU 70 far 0 58 0 - 6.1-10.4 HG LEU 119 - QD1 LEU 70 far 0 80 0 - 8.4-12.7 Violated in 0 structures by 0.00 A. Peak 3897 from aliabs.peaks (0.81, 0.81, 25.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 122 + QD1 LEU 122 OK 100 100 - 100 QD1 LEU 70 + QD1 LEU 70 OK 93 93 - 100 Peak 3898 from aliabs.peaks (0.79, 0.81, 25.60 ppm; diagonal): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 122 + QD1 LEU 122 OK 83 83 - 100 QD1 LEU 70 + QD1 LEU 70 OK 60 60 - 100 Reference assignment not found: QD2 LEU 122 - QD1 LEU 122 Peak 3899 from aliabs.peaks (8.27, 0.81, 25.60 ppm; 4.95 A): 6 out of 14 assignments used, quality = 1.00: * H LEU 123 + QD1 LEU 122 OK 100 100 100 100 1.5-3.8 3.3/7732=40, 7744/3.1=40...(44) H VAL 126 + QD1 LEU 122 OK 95 96 100 99 2.9-5.6 10405/2.1=38...(28) H LEU 96 + QD1 LEU 70 OK 81 92 90 98 4.2-7.2 11083/2.1=54...(32) H VAL 126 + QD1 LEU 70 OK 61 88 80 87 3.8-8.6 11083/2.1=26...(22) H SER 99 + QD1 LEU 70 OK 52 65 90 89 4.7-7.6 3.4/2260=24...(24) H SER 99 + QD1 LEU 122 OK 50 73 70 98 4.7-7.8 3.7/11702=43...(27) H LEU 123 - QD1 LEU 70 poor 20 95 35 60 5.1-10.2 4.3/3872=17, 4.3/3895=15...(16) H LEU 96 - QD1 LEU 122 poor 20 99 20 - 4.3-8.0 H GLU 30 - QD1 LEU 70 far 5 95 5 - 6.4-16.7 H ALA 29 - QD1 LEU 70 far 4 76 5 - 4.8-16.7 H ASP 131 - QD1 LEU 70 far 0 94 0 - 8.8-13.1 H ALA 29 - QD1 LEU 122 far 0 85 0 - 8.9-15.5 H ASP 131 - QD1 LEU 122 far 0 100 0 - 9.1-12.1 H LEU 43 - QD1 LEU 70 far 0 74 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 3901 from aliabs.peaks (4.04, 0.79, 25.94 ppm; 3.49 A): 4 out of 21 assignments used, quality = 1.00: * HA LEU 122 + QD2 LEU 122 OK 97 100 100 97 2.1-4.1 3.9=69, 3.6/3907=22...(32) HA LEU 96 + QD2 LEU 122 OK 72 93 90 86 1.9-5.7 3.0/10337=15, 3861=13...(37) HA LEU 119 + QD2 LEU 122 OK 53 93 65 87 1.9-6.0 3764/3.1=37, 3759=19...(21) HA LEU 119 + QD1 LEU 53 OK 33 73 55 81 1.8-8.1 11845/2.1=29, 3759=15...(23) HB THR 65 - QD1 LEU 53 poor 11 53 20 - 2.2-11.0 HB3 SER 124 - QD1 LEU 53 poor 6 48 45 29 2.4-8.4 4.0/11585=8, 10373=7...(8) HB THR 65 - QD2 LEU 122 far 4 71 5 - 4.7-8.8 HA LEU 122 - QD1 LEU 53 far 0 84 0 - 5.0-8.5 HB3 SER 124 - QD2 LEU 122 far 0 65 0 - 5.7-7.5 HA LEU 96 - QD1 LEU 53 far 0 73 0 - 5.7-10.4 HA LYS 95 - QD2 LEU 122 far 0 92 0 - 5.9-8.8 HA LEU 103 - QD2 LEU 122 far 0 71 0 - 5.9-8.7 HA ALA 92 - QD2 LEU 122 far 0 92 0 - 6.2-10.0 HA SER 60 - QD2 LEU 122 far 0 57 0 - 7.4-11.9 HB3 SER 74 - QD2 LEU 122 far 0 83 0 - 7.6-11.7 HA GLU 102 - QD2 LEU 122 far 0 98 0 - 7.7-10.3 HA LEU 103 - QD1 LEU 53 far 0 53 0 - 7.9-15.8 HB2 SER 74 - QD2 LEU 122 far 0 90 0 - 8.0-12.8 HA SER 60 - QD1 LEU 53 far 0 42 0 - 8.9-14.8 HA ALA 92 - QD1 LEU 53 far 0 72 0 - 9.1-11.8 HA LYS 95 - QD1 LEU 53 far 0 72 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 3902 from aliabs.peaks (1.61, 0.79, 25.94 ppm; 3.61 A): 3 out of 8 assignments used, quality = 1.00: * HB2 LEU 122 + QD2 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 70 + QD2 LEU 122 OK 59 100 65 91 3.2-8.5 ~2272=13, 3890=12...(50) HB2 LEU 122 - QD1 LEU 53 poor 17 84 20 - 3.5-9.4 HG LEU 119 - QD1 LEU 53 poor 15 75 20 - 3.3-9.7 HG LEU 119 - QD2 LEU 122 poor 13 95 25 55 3.6-8.2 3.7/3759=11, ~3770=7...(19) HG LEU 122 - QD1 LEU 53 poor 13 83 45 35 2.0-9.1 4.6/3900=4, 7745/3907=4...(14) HG LEU 70 - QD1 LEU 53 far 0 83 0 - 6.5-13.5 Violated in 0 structures by 0.00 A. Peak 3903 from aliabs.peaks (1.79, 0.79, 25.94 ppm; 3.43 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.2-3.2 3.1=100 HG LEU 100 + QD2 LEU 122 OK 82 89 95 98 2.0-5.3 2.1/11492=30...(49) HB3 LEU 103 - QD2 LEU 122 poor 17 100 30 57 3.4-6.8 3269/11492=6...(26) HB3 LEU 122 - QD1 LEU 53 far 8 84 10 - 4.5-9.1 HG LEU 100 - QD1 LEU 53 far 7 69 10 - 4.6-11.3 HB3 LEU 98 - QD2 LEU 122 far 0 99 0 - 6.1-10.2 HB3 LEU 103 - QD1 LEU 53 far 0 83 0 - 6.3-13.4 HB2 LEU 48 - QD1 LEU 53 far 0 77 0 - 6.7-10.6 HB2 LEU 48 - QD2 LEU 122 far 0 97 0 - 7.9-12.7 HB3 LYS 24 - QD2 LEU 122 far 0 73 0 - 9.6-20.9 HB ILE 32 - QD2 LEU 122 far 0 81 0 - 9.7-13.2 HB3 ARG 23 - QD1 LEU 53 far 0 46 0 - 9.7-25.9 HB ILE 32 - QD1 LEU 53 far 0 61 0 - 9.8-17.9 HB2 LYS 36 - QD1 LEU 53 far 0 48 0 - 9.8-20.5 HB3 LEU 98 - QD1 LEU 53 far 0 81 0 - 9.8-15.1 HB3 LYS 26 - QD2 LEU 122 far 0 71 0 - 9.9-18.1 Violated in 0 structures by 0.00 A. Peak 3904 from aliabs.peaks (1.60, 0.79, 25.94 ppm; 3.61 A): 3 out of 10 assignments used, quality = 1.00: * HG LEU 122 + QD2 LEU 122 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 122 + QD2 LEU 122 OK 100 100 100 100 1.9-3.2 3.1=100 HG LEU 70 + QD2 LEU 122 OK 59 99 65 91 3.2-8.5 ~2272=13, 3890=12...(50) HB2 LEU 122 - QD1 LEU 53 poor 17 83 20 - 3.5-9.4 HG LEU 119 - QD1 LEU 53 poor 14 69 20 - 3.3-9.7 HG LEU 122 - QD1 LEU 53 poor 13 84 45 35 2.0-9.1 4.6/3900=4, 7745/3907=4...(14) HB2 LEU 103 - QD2 LEU 122 poor 13 65 20 - 4.3-7.1 HG LEU 119 - QD2 LEU 122 poor 12 89 25 55 3.6-8.2 3.7/3759=11, ~3770=7...(18) HB2 LEU 103 - QD1 LEU 53 far 0 48 0 - 6.1-14.0 HG LEU 70 - QD1 LEU 53 far 0 81 0 - 6.5-13.5 Violated in 0 structures by 0.00 A. Peak 3905 from aliabs.peaks (0.81, 0.79, 25.94 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QD2 LEU 122 + QD2 LEU 122 OK 83 83 - 100 QD1 LEU 53 + QD1 LEU 53 OK 75 75 - 100 Reference assignment not found: QD1 LEU 122 - QD2 LEU 122 Peak 3906 from aliabs.peaks (0.79, 0.79, 25.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 122 + QD2 LEU 122 OK 100 100 - 100 QD1 LEU 53 + QD1 LEU 53 OK 81 81 - 100 Peak 3908 from aliabs.peaks (8.27, 3.85, 58.17 ppm; 5.07 A): 2 out of 9 assignments used, quality = 1.00: * H LEU 123 + HA LEU 123 OK 100 100 100 100 2.7-2.9 2.9=100 H VAL 126 + HA LEU 123 OK 95 96 100 100 3.4-4.2 7772/3.6=70, 3.7/3917=69...(17) H LEU 123 - HA LEU 62 far 6 59 10 - 6.1-10.5 H LEU 96 - HA LEU 123 far 0 99 0 - 7.5-9.6 H GLU 30 - HA LEU 62 far 0 59 0 - 8.2-19.7 H ALA 29 - HA LEU 62 far 0 44 0 - 8.4-17.7 H SER 99 - HA LEU 123 far 0 73 0 - 8.4-11.2 H VAL 126 - HA LEU 62 far 0 52 0 - 9.3-12.9 H ASP 131 - HA LEU 123 far 0 100 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 3909 from aliabs.peaks (3.85, 3.85, 58.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 123 + HA LEU 123 OK 100 100 - 100 HA LEU 62 + HA LEU 62 OK 48 48 - 100 Peak 3910 from aliabs.peaks (1.65, 3.85, 58.17 ppm; 4.16 A): 2 out of 17 assignments used, quality = 1.00: * HB2 LEU 123 + HA LEU 123 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 62 + HA LEU 62 OK 58 58 100 100 2.4-4.0 3.7=100 HB2 LEU 123 - HA LEU 62 far 6 59 10 - 4.8-9.7 HB2 LEU 69 - HA LEU 123 far 5 100 5 - 5.5-10.6 HG LEU 119 - HA LEU 62 far 2 32 5 - 5.4-13.0 HG LEU 62 - HA LEU 123 far 0 100 0 - 5.8-9.7 HG LEU 119 - HA LEU 123 far 0 65 0 - 7.1-9.7 HB2 LEU 69 - HA LEU 62 far 0 59 0 - 7.9-10.5 HD2 LYS 31 - HA LEU 62 far 0 57 0 - 8.2-24.2 HD3 LYS 31 - HA LEU 62 far 0 55 0 - 8.4-23.4 HD3 LYS 24 - HA LEU 62 far 0 58 0 - 8.5-26.7 HD2 LYS 26 - HA LEU 62 far 0 54 0 - 8.6-24.7 HD3 LYS 26 - HA LEU 62 far 0 51 0 - 9.0-24.2 HD2 LYS 24 - HA LEU 62 far 0 52 0 - 9.3-27.5 HG3 ARG 23 - HA LEU 62 far 0 28 0 - 9.4-28.4 HD2 LYS 36 - HA LEU 62 far 0 51 0 - 9.5-19.7 HD2 LYS 95 - HA LEU 123 far 0 100 0 - 9.8-14.8 Violated in 0 structures by 0.00 A. Peak 3911 from aliabs.peaks (1.88, 3.85, 58.17 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 123 + HA LEU 123 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LEU 48 - HA LEU 62 far 3 50 5 - 5.4-11.2 HB3 LEU 123 - HA LEU 62 far 0 59 0 - 6.1-11.5 HB3 LEU 119 - HA LEU 123 far 0 99 0 - 6.8-8.4 HB3 LEU 119 - HA LEU 62 far 0 57 0 - 6.9-13.4 HB3 LEU 48 - HA LEU 123 far 0 93 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 3912 from aliabs.peaks (1.57, 3.85, 58.17 ppm; 4.50 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 123 + HA LEU 123 OK 100 100 100 100 2.9-3.8 3.7=100 HG LEU 49 + HA LEU 123 OK 39 99 40 98 4.4-8.0 11615/10393=34...(28) HG LEU 123 - HA LEU 62 poor 14 59 40 59 3.7-10.2 2.1/3945=17...(12) HB2 LEU 119 - HA LEU 62 far 6 41 15 - 5.1-11.8 HG LEU 49 - HA LEU 62 far 0 57 0 - 6.2-8.6 HB2 LEU 119 - HA LEU 123 far 0 81 0 - 6.5-7.7 HG LEU 103 - HA LEU 62 far 0 57 0 - 6.8-10.2 HB2 LEU 103 - HA LEU 123 far 0 97 0 - 8.4-12.5 HB2 LEU 103 - HA LEU 62 far 0 53 0 - 8.5-11.3 HG LEU 103 - HA LEU 123 far 0 99 0 - 9.5-12.8 HG2 ARG 23 - HA LEU 62 far 0 58 0 - 9.5-27.2 HG13 ILE 37 - HA LEU 62 far 0 52 0 - 9.5-22.3 Violated in 0 structures by 0.00 A. Peak 3913 from aliabs.peaks (0.88, 3.85, 58.17 ppm; 3.93 A): 5 out of 22 assignments used, quality = 1.00: * QD2 LEU 123 + HA LEU 123 OK 100 100 100 100 1.6-4.1 3.9=100 QG1 VAL 118 + HA LEU 123 OK 36 97 60 62 4.4-7.5 7752/2.9=18, 7766/3.6=14...(11) QG2 VAL 57 + HA LEU 62 OK 29 35 95 89 3.6-5.6 9319/3.9=34, 9316/3.7=33...(14) QG2 VAL 63 + HA LEU 62 OK 24 30 90 88 4.9-5.5 11012/3.0=29...(20) QD2 LEU 123 + HA LEU 62 OK 23 59 50 77 3.1-7.9 10348/3.9=30...(18) QD2 LEU 48 - HA LEU 62 poor 18 51 35 - 3.5-10.1 QD2 LEU 69 - HA LEU 123 poor 13 90 50 28 4.0-8.6 11052/11669=10...(6) QD1 LEU 48 - HA LEU 62 far 5 32 15 - 4.1-11.4 QG2 VAL 20 - HA LEU 62 far 3 53 5 - 5.0-25.3 QG1 VAL 118 - HA LEU 62 far 3 53 5 - 5.3-12.1 QD2 LEU 70 - HA LEU 123 lone 2 71 35 10 4.7-8.8 11083/3916=6...(3) QG1 VAL 20 - HA LEU 62 far 0 33 0 - 5.8-27.7 QD2 LEU 69 - HA LEU 62 far 0 48 0 - 6.0-10.7 QD1 LEU 48 - HA LEU 123 far 0 65 0 - 6.3-11.0 QD2 LEU 48 - HA LEU 123 far 0 95 0 - 6.6-10.1 QG2 VAL 57 - HA LEU 123 far 0 71 0 - 6.7-10.1 QG2 VAL 63 - HA LEU 123 far 0 63 0 - 6.9-10.6 QD2 LEU 70 - HA LEU 62 far 0 35 0 - 7.3-11.2 QD2 LEU 98 - HA LEU 123 far 0 100 0 - 7.6-12.3 QD1 LEU 22 - HA LEU 62 far 0 58 0 - 8.8-24.2 QG1 VAL 20 - HA LEU 123 far 0 68 0 - 9.3-30.4 QD1 LEU 98 - HA LEU 123 far 0 76 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 3914 from aliabs.peaks (0.93, 3.85, 58.17 ppm; 3.72 A): 4 out of 19 assignments used, quality = 1.00: * QD1 LEU 123 + HA LEU 123 OK 100 100 100 100 2.6-3.8 4.0=78, 3954/3.0=48...(27) QD1 LEU 49 + HA LEU 123 OK 85 95 100 90 1.8-4.7 9209=27, 3934/3.0=25...(22) QD1 LEU 62 + HA LEU 62 OK 52 52 100 99 3.4-3.8 4.1=75, 2.1/1998=46...(18) QG2 VAL 63 + HA LEU 62 OK 30 49 65 94 4.9-5.5 11012/3.0=46...(20) QD1 LEU 62 - HA LEU 123 poor 20 96 25 83 4.7-7.7 2.1/1998=27, ~10956=22...(15) QD1 LEU 123 - HA LEU 62 poor 18 59 30 - 3.9-10.3 QG1 VAL 57 - HA LEU 62 poor 12 46 25 - 5.0-6.3 QD1 LEU 48 - HA LEU 62 far 5 48 10 - 4.1-11.4 QD1 LEU 49 - HA LEU 62 far 3 51 5 - 4.8-7.3 QD1 LEU 119 - HA LEU 62 far 0 51 0 - 5.5-10.8 QG1 VAL 20 - HA LEU 62 far 0 46 0 - 5.8-27.7 QD1 LEU 48 - HA LEU 123 far 0 90 0 - 6.3-11.0 QG2 VAL 63 - HA LEU 123 far 0 92 0 - 6.9-10.6 QD1 LEU 119 - HA LEU 123 far 0 95 0 - 6.9-8.7 QG2 ILE 37 - HA LEU 123 far 0 98 0 - 7.2-15.5 QG2 ILE 37 - HA LEU 62 far 0 55 0 - 7.8-17.6 QG1 VAL 57 - HA LEU 123 far 0 89 0 - 8.0-12.3 QG2 VAL 112 - HA LEU 62 far 0 59 0 - 8.5-15.8 QG1 VAL 20 - HA LEU 123 far 0 89 0 - 9.3-30.4 Violated in 0 structures by 0.00 A. Peak 3916 from aliabs.peaks (8.28, 3.85, 58.17 ppm; 5.27 A): 2 out of 12 assignments used, quality = 1.00: * H VAL 126 + HA LEU 123 OK 100 100 100 100 3.4-4.2 7772/3.6=77...(18) H LEU 123 + HA LEU 123 OK 96 96 100 100 2.7-2.9 2.9=100 H LEU 49 - HA LEU 62 far 6 41 15 - 5.4-8.9 H LEU 123 - HA LEU 62 far 5 52 10 - 6.1-10.5 H LEU 49 - HA LEU 123 far 4 81 5 - 6.3-9.4 H LEU 69 - HA LEU 123 far 0 85 0 - 7.1-11.3 H LEU 96 - HA LEU 123 far 0 100 0 - 7.5-9.6 H LEU 69 - HA LEU 62 far 0 44 0 - 8.2-9.2 H GLU 30 - HA LEU 62 far 0 52 0 - 8.2-19.7 H SER 99 - HA LEU 123 far 0 96 0 - 8.4-11.2 H VAL 126 - HA LEU 62 far 0 59 0 - 9.3-12.9 H ASP 131 - HA LEU 123 far 0 99 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 3917 from aliabs.peaks (2.11, 3.85, 58.17 ppm; 4.35 A): 4 out of 10 assignments used, quality = 1.00: * HB VAL 126 + HA LEU 123 OK 100 100 100 100 2.8-4.8 4008=84, 2.1/10393=78...(18) HB3 GLN 61 + HA LEU 62 OK 48 56 100 86 4.9-5.6 ~6787=27, 6786/2.9=19...(12) HB2 GLN 61 + HA LEU 62 OK 45 53 100 85 3.9-5.5 ~6787=27, 6786/2.9=19...(13) HB VAL 57 + HA LEU 62 OK 35 44 95 84 4.4-5.9 10922/3.9=36...(9) HB2 GLU 128 - HA LEU 123 far 0 63 0 - 7.4-10.1 HB VAL 126 - HA LEU 62 far 0 59 0 - 8.6-11.2 HB VAL 57 - HA LEU 123 far 0 85 0 - 8.8-13.7 HB2 GLU 97 - HA LEU 123 far 0 71 0 - 9.6-12.0 HB VAL 112 - HA LEU 62 far 0 57 0 - 9.7-17.8 HB2 GLN 61 - HA LEU 123 far 0 97 0 - 9.8-14.5 Violated in 0 structures by 0.00 A. Peak 3918 from aliabs.peaks (4.42, 1.65, 41.13 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 120 + HB2 LEU 123 OK 100 100 100 100 2.1-4.6 3813=100, 3927/1.8=75...(24) HA THR 54 - HB2 LEU 123 far 15 100 15 - 4.5-10.3 Violated in 2 structures by 0.02 A. Peak 3920 from aliabs.peaks (3.85, 1.65, 41.13 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 62 - HB2 LEU 123 far 9 90 10 - 4.8-9.7 HB2 SER 50 - HB2 LEU 123 far 3 65 5 - 5.2-9.3 HB3 SER 50 - HB2 LEU 123 far 0 63 0 - 5.9-10.5 HA LEU 70 - HB2 LEU 123 far 0 57 0 - 9.3-12.1 HD2 PRO 117 - HB2 LEU 123 far 0 100 0 - 9.5-13.3 Violated in 0 structures by 0.00 A. Peak 3921 from aliabs.peaks (1.65, 1.65, 41.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 123 + HB2 LEU 123 OK 100 100 - 100 Peak 3922 from aliabs.peaks (1.88, 1.65, 41.13 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 123 + HB2 LEU 123 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 119 + HB2 LEU 123 OK 34 99 35 98 4.2-7.4 11552/3.9=30...(46) Violated in 0 structures by 0.00 A. Peak 3923 from aliabs.peaks (1.57, 1.65, 41.13 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 119 + HB2 LEU 123 OK 76 81 95 99 4.0-6.3 3932/1.8=36, ~3764=34...(47) HG LEU 49 - HB2 LEU 123 far 10 99 10 - 5.0-10.1 HB2 LEU 103 - HB2 LEU 123 far 0 97 0 - 8.0-12.4 HG LEU 103 - HB2 LEU 123 far 0 99 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 3924 from aliabs.peaks (0.88, 1.65, 41.13 ppm; 3.56 A): 2 out of 11 assignments used, quality = 1.00: * QD2 LEU 123 + HB2 LEU 123 OK 100 100 100 100 2.3-2.9 3.2=100 QG1 VAL 118 + HB2 LEU 123 OK 25 97 60 43 3.7-6.9 7752/3.9=12...(8) QG2 VAL 57 - HB2 LEU 123 far 0 71 0 - 5.2-8.6 QD2 LEU 69 - HB2 LEU 123 far 0 90 0 - 5.5-10.8 QG2 VAL 63 - HB2 LEU 123 far 0 63 0 - 6.0-10.3 QD2 LEU 70 - HB2 LEU 123 far 0 71 0 - 6.5-10.6 QD1 LEU 48 - HB2 LEU 123 far 0 65 0 - 7.2-11.4 QD2 LEU 48 - HB2 LEU 123 far 0 95 0 - 7.3-10.8 QD2 LEU 98 - HB2 LEU 123 far 0 100 0 - 8.0-12.6 QG1 VAL 20 - HB2 LEU 123 far 0 68 0 - 9.2-31.6 QD1 LEU 98 - HB2 LEU 123 far 0 76 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 3925 from aliabs.peaks (0.93, 1.65, 41.13 ppm; 3.91 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 123 + HB2 LEU 123 OK 100 100 100 100 1.9-3.2 3.2=100 QD1 LEU 49 + HB2 LEU 123 OK 84 95 90 99 2.3-6.4 3934/1.8=35, 3950/3.2=29...(53) QD1 LEU 62 + HB2 LEU 123 OK 46 96 50 97 2.5-7.4 ~10347=32, 2.1/2001=27...(36) QD1 LEU 119 - HB2 LEU 123 far 9 95 10 - 5.2-8.0 QG2 VAL 63 - HB2 LEU 123 far 0 92 0 - 6.0-10.3 QG1 VAL 57 - HB2 LEU 123 far 0 89 0 - 7.1-11.0 QD1 LEU 48 - HB2 LEU 123 far 0 90 0 - 7.2-11.4 QG2 ILE 37 - HB2 LEU 123 far 0 98 0 - 9.1-17.4 QG1 VAL 20 - HB2 LEU 123 far 0 89 0 - 9.2-31.6 Violated in 0 structures by 0.00 A. Peak 3927 from aliabs.peaks (4.42, 1.88, 41.13 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 120 + HB3 LEU 123 OK 100 100 100 100 2.4-3.5 3813/1.8=85...(22) HA THR 54 - HB3 LEU 123 far 15 100 15 - 3.7-9.1 Violated in 0 structures by 0.00 A. Peak 3929 from aliabs.peaks (3.85, 1.88, 41.13 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 123 + HB3 LEU 123 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 SER 50 - HB3 LEU 123 far 3 65 5 - 5.6-8.8 HA LEU 62 - HB3 LEU 123 far 0 90 0 - 6.1-11.5 HB3 SER 50 - HB3 LEU 123 far 0 63 0 - 6.7-9.7 HA LEU 70 - HB3 LEU 123 far 0 57 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 3930 from aliabs.peaks (1.65, 1.88, 41.13 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 123 + HB3 LEU 123 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 62 - HB3 LEU 123 far 5 100 5 - 5.0-10.2 HG LEU 119 - HB3 LEU 123 far 0 65 0 - 6.4-9.2 HB2 LEU 69 - HB3 LEU 123 far 0 100 0 - 8.4-13.4 Violated in 0 structures by 0.00 A. Peak 3931 from aliabs.peaks (1.88, 1.88, 41.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 123 + HB3 LEU 123 OK 100 100 - 100 Peak 3932 from aliabs.peaks (1.57, 1.88, 41.13 ppm; 4.02 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 123 + HB3 LEU 123 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 LEU 119 + HB3 LEU 123 OK 63 81 80 98 4.5-6.9 3768=30, 2.9/3757=27...(42) HG LEU 49 - HB3 LEU 123 far 0 99 0 - 6.0-9.6 HG LEU 103 - HB3 LEU 123 far 0 99 0 - 9.4-13.4 HB2 LEU 103 - HB3 LEU 123 far 0 97 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 3933 from aliabs.peaks (0.88, 1.88, 41.13 ppm; 3.69 A): 1 out of 10 assignments used, quality = 1.00: * QD2 LEU 123 + HB3 LEU 123 OK 100 100 100 100 2.0-3.2 3.2=100 QG1 VAL 118 - HB3 LEU 123 poor 16 97 35 48 4.5-7.9 3924/1.8=15, 7752/3.9=13...(11) QG2 VAL 57 - HB3 LEU 123 far 0 71 0 - 5.5-9.7 QD2 LEU 69 - HB3 LEU 123 far 0 90 0 - 6.4-10.9 QG2 VAL 63 - HB3 LEU 123 far 0 63 0 - 7.2-11.7 QD2 LEU 70 - HB3 LEU 123 far 0 71 0 - 7.2-11.1 QD2 LEU 48 - HB3 LEU 123 far 0 95 0 - 7.6-11.4 QD1 LEU 48 - HB3 LEU 123 far 0 65 0 - 7.6-11.9 QD2 LEU 98 - HB3 LEU 123 far 0 100 0 - 8.4-13.5 QD1 LEU 98 - HB3 LEU 123 far 0 76 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 3934 from aliabs.peaks (0.93, 1.88, 41.13 ppm; 3.78 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 123 + HB3 LEU 123 OK 100 100 100 100 1.9-3.1 3.2=100 QD1 LEU 49 + HB3 LEU 123 OK 83 95 90 97 3.0-6.0 3950/3947=28...(48) QD1 LEU 62 - HB3 LEU 123 poor 19 96 20 - 3.4-8.6 QD1 LEU 119 - HB3 LEU 123 far 0 95 0 - 6.1-7.8 QG2 VAL 63 - HB3 LEU 123 far 0 92 0 - 7.2-11.7 QG1 VAL 57 - HB3 LEU 123 far 0 89 0 - 7.4-12.1 QD1 LEU 48 - HB3 LEU 123 far 0 90 0 - 7.6-11.9 QG2 ILE 37 - HB3 LEU 123 far 0 98 0 - 9.5-18.0 Violated in 0 structures by 0.00 A. Peak 3937 from aliabs.peaks (3.85, 1.57, 26.88 ppm; 4.54 A): 6 out of 14 assignments used, quality = 1.00: * HA LEU 123 + HG LEU 123 OK 100 100 100 100 2.9-3.8 3.7=100 HB2 SER 50 + HG LEU 49 OK 61 61 100 99 3.9-5.5 3.9/6620=33, ~9209=28...(30) HB3 SER 50 + HG LEU 49 OK 58 59 100 98 3.9-5.6 3.9/6620=33, 9209/2.1=31...(27) HA LEU 123 + HG LEU 49 OK 39 98 40 98 4.4-8.0 10393/11615=35...(29) HB2 SER 50 + HG LEU 123 OK 25 65 40 96 3.4-8.5 ~11874=35, ~11636=30...(21) HA LEU 62 + HG LEU 123 OK 24 90 40 66 3.7-10.2 3945/2.1=18, 10950=17...(14) HB3 SER 50 - HG LEU 123 poor 19 63 30 - 4.7-9.7 HA LEU 62 - HG LEU 49 far 0 86 0 - 6.2-8.6 HD2 PRO 117 - HG LEU 103 far 0 95 0 - 6.3-14.4 HA LEU 62 - HG LEU 103 far 0 83 0 - 6.8-10.2 HB3 SER 33 - HG2 ARG 23 far 0 88 0 - 7.0-27.1 HA LEU 70 - HG LEU 49 far 0 54 0 - 7.9-11.1 HA LEU 123 - HG LEU 103 far 0 96 0 - 9.5-12.8 HA LEU 62 - HG2 ARG 23 far 0 87 0 - 9.5-27.2 Violated in 0 structures by 0.00 A. Peak 3938 from aliabs.peaks (1.65, 1.57, 26.88 ppm; 4.74 A): 8 out of 37 assignments used, quality = 1.00: * HB2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 69 + HG LEU 49 OK 83 98 85 99 4.2-7.5 ~11061=39, ~11049=31...(29) HG3 ARG 23 + HG2 ARG 23 OK 57 57 100 100 1.8-1.8 1.8=100 HG LEU 62 + HG LEU 123 OK 55 100 55 100 3.1-9.0 ~10347=62, 10956/4.6=41...(32) HG LEU 22 + HG2 ARG 23 OK 37 59 75 84 3.4-7.5 452/6205=22, 4.3/444=22...(25) HG LEU 119 + HG LEU 123 OK 31 65 50 96 4.7-8.8 2.9/3939=23, 3.7/3389=19...(30) HD3 LYS 26 + HG2 ARG 23 OK 22 91 30 80 4.0-14.9 ~10729=38, 11449/3.0=18...(17) HD2 LYS 26 + HG2 ARG 23 OK 22 94 30 77 4.6-14.9 ~10729=38, ~11449=13...(21) HG LEU 62 - HG LEU 103 poor 19 95 20 - 4.8-10.5 HD2 LYS 24 - HG2 ARG 23 poor 18 92 20 - 5.8-9.7 HG LEU 119 - HG LEU 103 poor 18 59 30 - 4.9-10.5 HD3 LYS 24 - HG2 ARG 23 far 15 98 15 - 5.4-10.3 HB2 LEU 123 - HG LEU 49 far 10 98 10 - 5.0-10.1 HD2 LYS 19 - HG2 ARG 23 far 5 98 5 - 4.9-14.3 HD3 LYS 19 - HG2 ARG 23 far 5 98 5 - 6.2-13.2 HD3 LYS 36 - HG2 ARG 23 far 5 92 5 - 5.9-25.7 HD2 LYS 36 - HG2 ARG 23 far 0 91 0 - 6.8-24.9 HD2 LYS 31 - HG2 ARG 23 far 0 97 0 - 6.9-18.8 HG LEU 62 - HG LEU 49 far 0 97 0 - 6.9-10.4 HB2 LEU 98 - HG2 ARG 23 far 0 98 0 - 7.0-38.4 HD3 LYS 31 - HG2 ARG 23 far 0 95 0 - 7.2-19.6 HD2 LYS 36 - HG LEU 49 far 0 91 0 - 7.3-16.7 HD3 LYS 36 - HG LEU 49 far 0 92 0 - 7.6-15.8 HD3 LYS 24 - HG LEU 49 far 0 97 0 - 8.3-26.2 HB2 LEU 69 - HG LEU 123 far 0 100 0 - 8.3-13.5 HD3 LYS 26 - HG LEU 103 far 0 88 0 - 8.5-25.0 HD2 LYS 26 - HG LEU 49 far 0 94 0 - 8.6-24.7 HB2 LEU 123 - HG LEU 103 far 0 96 0 - 8.7-12.6 HD3 LYS 26 - HG LEU 49 far 0 91 0 - 8.8-24.6 HD2 LYS 24 - HG LEU 49 far 0 92 0 - 9.1-27.4 HD2 LYS 26 - HG LEU 123 far 0 97 0 - 9.4-23.5 HG3 ARG 23 - HG LEU 103 far 0 54 0 - 9.4-34.1 HD2 LYS 31 - HG LEU 49 far 0 97 0 - 9.5-23.5 HD2 LYS 19 - HG LEU 49 far 0 98 0 - 9.6-35.7 HD3 LYS 31 - HG LEU 49 far 0 95 0 - 9.6-22.2 HG LEU 43 - HG LEU 49 far 0 97 0 - 9.8-11.2 HD2 LYS 26 - HG LEU 103 far 0 92 0 - 10.0-25.8 Violated in 0 structures by 0.00 A. Peak 3939 from aliabs.peaks (1.88, 1.57, 26.88 ppm; 3.74 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LEU 123 + HG LEU 123 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 LEU 119 + HG LEU 123 OK 39 99 40 98 4.0-7.5 11552/4.6=28...(41) HB3 LEU 48 + HG LEU 49 OK 21 89 25 94 4.4-6.4 3.1/9205=41, 4.6/6606=31...(32) HB3 LEU 123 - HG LEU 49 far 0 98 0 - 6.0-9.6 HB3 LYS 36 - HG2 ARG 23 far 0 98 0 - 6.1-28.1 HB3 LEU 48 - HG2 ARG 23 far 0 90 0 - 6.5-30.2 HB3 LEU 119 - HG LEU 103 far 0 94 0 - 7.0-11.3 HB3 LYS 36 - HG LEU 49 far 0 97 0 - 8.2-17.3 HB2 GLU 40 - HG2 ARG 23 far 0 81 0 - 8.8-35.2 HB3 LEU 48 - HG LEU 123 far 0 93 0 - 9.0-13.7 HB3 LEU 123 - HG LEU 103 far 0 96 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 3940 from aliabs.peaks (1.57, 1.57, 26.88 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 123 + HG LEU 123 OK 100 100 - 100 HG2 ARG 23 + HG2 ARG 23 OK 98 98 - 100 HG LEU 49 + HG LEU 49 OK 97 97 - 100 HG LEU 103 + HG LEU 103 OK 94 94 - 100 Peak 3941 from aliabs.peaks (0.88, 1.57, 26.88 ppm; 2.94 A): 8 out of 42 assignments used, quality = 1.00: * QD2 LEU 123 + HG LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 123 + HG LEU 49 OK 79 98 85 94 3.5-7.4 3948=44, 3950/2.1=26...(39) QD2 LEU 48 + HG LEU 49 OK 66 91 85 86 3.1-4.5 9205=43, 10957/11025=18...(29) QD2 LEU 69 + HG LEU 49 OK 52 86 70 86 2.5-5.9 11061/2.1=33...(22) QG2 VAL 63 + HG LEU 103 OK 49 57 100 87 1.9-3.2 11722/2.1=18, ~11832=15...(29) QG2 VAL 20 + HG2 ARG 23 OK 45 93 65 74 2.2-7.6 2.1/10713=20, ~10713=15...(18) QG1 VAL 118 + HG LEU 103 OK 44 91 50 97 3.3-8.1 10261=27, ~10069=25...(26) QD1 LEU 48 + HG LEU 49 OK 22 61 45 79 2.1-5.9 2.1/9205=34, 9205=10...(28) QD1 LEU 22 - HG2 ARG 23 poor 13 97 25 54 2.6-7.8 6201/6205=12...(18) QG1 VAL 20 - HG2 ARG 23 poor 13 64 20 - 2.4-8.1 QG2 VAL 57 - HG LEU 123 far 7 71 10 - 3.7-8.4 QG1 VAL 118 - HG LEU 123 far 5 97 5 - 4.2-8.7 QG1 VAL 20 - HG LEU 49 far 0 64 0 - 5.6-25.4 QD2 LEU 69 - HG LEU 123 far 0 90 0 - 5.7-10.5 QD2 LEU 70 - HG LEU 49 far 0 67 0 - 5.9-11.7 QG2 VAL 63 - HG LEU 123 far 0 63 0 - 6.0-11.5 QD2 LEU 48 - HG LEU 123 far 0 95 0 - 6.2-9.8 QD2 LEU 70 - HG LEU 103 far 0 64 0 - 6.3-11.1 QG2 VAL 20 - HG LEU 49 far 0 93 0 - 6.3-24.0 QD1 LEU 48 - HG LEU 123 far 0 65 0 - 6.3-11.1 QD1 LEU 48 - HG2 ARG 23 far 0 62 0 - 6.5-23.4 QD2 LEU 70 - HG LEU 123 far 0 71 0 - 7.0-11.1 QD2 LEU 123 - HG LEU 103 far 0 96 0 - 7.1-10.5 QD2 LEU 48 - HG2 ARG 23 far 0 91 0 - 7.2-23.0 QG2 VAL 57 - HG LEU 49 far 0 67 0 - 7.5-9.2 QD1 LEU 98 - HG2 ARG 23 far 0 72 0 - 7.5-32.8 QD2 LEU 98 - HG LEU 103 far 0 96 0 - 8.1-11.2 QG1 VAL 118 - HG LEU 49 far 0 93 0 - 8.1-12.4 QG2 VAL 57 - HG LEU 103 far 0 64 0 - 8.1-10.9 QD1 LEU 98 - HG LEU 103 far 0 69 0 - 8.2-12.1 QG1 VAL 20 - HG LEU 123 far 0 68 0 - 8.3-30.7 QG2 VAL 57 - HG2 ARG 23 far 0 67 0 - 8.3-25.2 QG1 VAL 118 - HG2 ARG 23 far 0 93 0 - 8.6-27.9 QD2 LEU 69 - HG LEU 103 far 0 83 0 - 8.7-13.7 QG2 VAL 63 - HG LEU 49 far 0 59 0 - 8.8-11.6 QD2 LEU 98 - HG2 ARG 23 far 0 98 0 - 9.0-30.6 QD1 LEU 22 - HG LEU 103 far 0 95 0 - 9.2-29.1 QD2 LEU 98 - HG LEU 123 far 0 100 0 - 9.4-14.2 QG2 VAL 63 - HG2 ARG 23 far 0 59 0 - 9.6-25.5 QG2 VAL 20 - HG LEU 123 far 0 97 0 - 9.7-28.4 QD1 LEU 48 - HG LEU 103 far 0 59 0 - 9.8-18.7 QD2 LEU 48 - HG LEU 103 far 0 88 0 - 9.8-17.1 Violated in 0 structures by 0.00 A. Peak 3942 from aliabs.peaks (0.93, 1.57, 26.88 ppm; 3.43 A): 8 out of 34 assignments used, quality = 1.00: * QD1 LEU 123 + HG LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 49 + HG LEU 49 OK 91 91 100 100 2.1-2.1 2.1=100 QG2 VAL 63 + HG LEU 103 OK 83 85 100 97 1.9-3.2 11722/2.1=26...(32) QD1 LEU 49 + HG LEU 123 OK 78 95 85 97 3.1-5.5 3950/2.1=32, 1584=26...(38) QD1 LEU 62 + HG LEU 103 OK 47 89 70 76 2.6-7.5 ~11823=20, 11722/2.1=18...(19) QD1 LEU 62 + HG LEU 123 OK 45 96 50 93 2.4-7.9 ~10347=33, ~10347=21...(29) QD1 LEU 123 + HG LEU 49 OK 43 98 45 98 3.8-6.5 2.1/3948=35, 3956=22...(45) QD1 LEU 48 + HG LEU 49 OK 36 86 45 93 2.1-5.9 2.1/9205=46...(34) QG1 VAL 20 - HG2 ARG 23 poor 18 85 25 83 2.4-8.1 10713=32, 10713/1.8=32...(17) QD1 LEU 119 - HG LEU 123 far 5 95 5 - 4.7-7.7 QG1 VAL 57 - HG LEU 123 far 0 89 0 - 5.4-10.5 QD1 LEU 119 - HG LEU 103 far 0 88 0 - 5.5-8.5 QG2 VAL 112 - HG LEU 103 far 0 96 0 - 5.5-13.6 QG1 VAL 20 - HG LEU 49 far 0 84 0 - 5.6-25.4 QG2 VAL 63 - HG LEU 123 far 0 92 0 - 6.0-11.5 QG1 VAL 105 - HG LEU 103 far 0 57 0 - 6.0-8.3 QG2 ILE 37 - HG LEU 49 far 0 95 0 - 6.2-13.0 QG2 ILE 37 - HG2 ARG 23 far 0 95 0 - 6.2-23.9 QD1 LEU 48 - HG LEU 123 far 0 90 0 - 6.3-11.1 QD1 LEU 48 - HG2 ARG 23 far 0 87 0 - 6.5-23.4 QD1 LEU 62 - HG LEU 49 far 0 92 0 - 6.5-9.2 QG1 VAL 105 - HG2 ARG 23 far 0 59 0 - 7.8-31.3 QG1 VAL 57 - HG LEU 49 far 0 84 0 - 8.1-10.8 QD1 LEU 123 - HG LEU 103 far 0 96 0 - 8.2-12.1 QG1 VAL 57 - HG2 ARG 23 far 0 85 0 - 8.3-25.7 QG1 VAL 20 - HG LEU 123 far 0 89 0 - 8.3-30.7 QG2 ILE 37 - HG LEU 123 far 0 98 0 - 8.7-17.7 QG2 VAL 63 - HG LEU 49 far 0 88 0 - 8.8-11.6 QD1 LEU 119 - HG LEU 49 far 0 91 0 - 9.4-12.8 QD1 LEU 49 - HG LEU 103 far 0 88 0 - 9.4-12.7 QG2 VAL 63 - HG2 ARG 23 far 0 88 0 - 9.6-25.5 QD1 LEU 48 - HG LEU 103 far 0 83 0 - 9.8-18.7 QD1 LEU 119 - HG2 ARG 23 far 0 91 0 - 9.9-29.3 QG1 VAL 57 - HG LEU 103 far 0 82 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 3944 from aliabs.peaks (8.27, 0.88, 25.15 ppm; 4.68 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.4-4.1 4.8=94, 7750/3.2=77...(30) H VAL 126 + QD2 LEU 123 OK 83 96 95 91 4.2-6.6 3916/3.9=50...(16) H ASP 131 - QD2 LEU 123 far 0 100 0 - 7.5-11.2 H SER 99 - QD2 LEU 123 far 0 73 0 - 8.0-10.6 H LEU 96 - QD2 LEU 123 far 0 99 0 - 8.1-10.1 H ALA 29 - QD2 LEU 123 far 0 85 0 - 8.7-16.7 H LEU 43 - QD2 LEU 123 far 0 83 0 - 9.1-14.5 H GLU 30 - QD2 LEU 123 far 0 100 0 - 9.4-17.9 Violated in 0 structures by 0.00 A. Peak 3945 from aliabs.peaks (3.85, 0.88, 25.15 ppm; 3.55 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 123 + QD2 LEU 123 OK 100 100 100 100 1.6-4.1 3.9=74, 3.0/3947=61...(33) HB2 SER 50 + QD2 LEU 123 OK 29 65 50 87 1.9-6.4 3.0/11636=34, ~11874=20...(25) HA LEU 62 + QD2 LEU 123 OK 29 90 45 70 3.1-7.9 3.9/10348=24...(20) HB3 SER 50 - QD2 LEU 123 poor 20 63 35 90 2.5-6.8 3.0/11636=34, ~11874=20...(28) HA LEU 70 - QD2 LEU 123 far 0 57 0 - 6.8-10.2 HD2 PRO 117 - QD2 LEU 123 far 0 100 0 - 9.4-12.3 Violated in 1 structures by 0.02 A. Peak 3946 from aliabs.peaks (1.65, 0.88, 25.15 ppm; 3.43 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.3-2.9 3.2=100 HG LEU 62 + QD2 LEU 123 OK 61 100 65 94 3.8-7.4 ~10347=33, 2.1/10348=32...(35) HG LEU 119 - QD2 LEU 123 far 3 65 5 - 4.7-7.9 HB2 LEU 69 - QD2 LEU 123 far 0 100 0 - 5.0-9.2 HD2 LYS 36 - QD2 LEU 123 far 0 95 0 - 7.3-18.1 HD2 LYS 26 - QD2 LEU 123 far 0 97 0 - 7.4-18.9 HD3 LYS 36 - QD2 LEU 123 far 0 96 0 - 8.2-17.7 HD3 LYS 26 - QD2 LEU 123 far 0 95 0 - 8.3-18.9 HG LEU 43 - QD2 LEU 123 far 0 99 0 - 9.2-15.5 HD2 LYS 31 - QD2 LEU 123 far 0 99 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 3947 from aliabs.peaks (1.88, 0.88, 25.15 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.0-3.2 3.2=98, 3.9/3944=28...(21) HB3 LEU 119 - QD2 LEU 123 far 5 99 5 - 4.3-7.1 HB3 LEU 48 - QD2 LEU 123 far 0 93 0 - 6.2-10.7 Violated in 11 structures by 0.01 A. Peak 3948 from aliabs.peaks (1.57, 0.88, 25.15 ppm; 2.87 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 49 + QD2 LEU 123 OK 77 99 85 91 3.5-7.4 2.1/3950=25...(44) HB2 LEU 119 - QD2 LEU 123 far 4 81 5 - 3.7-6.2 HB2 LEU 103 - QD2 LEU 123 far 0 97 0 - 6.7-10.7 HG LEU 103 - QD2 LEU 123 far 0 99 0 - 7.1-10.5 HG13 ILE 37 - QD2 LEU 123 far 0 96 0 - 8.0-16.8 HB3 LEU 42 - QD2 LEU 123 far 0 78 0 - 8.8-14.4 Violated in 0 structures by 0.00 A. Peak 3949 from aliabs.peaks (0.88, 0.88, 25.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 123 + QD2 LEU 123 OK 100 100 - 100 Peak 3950 from aliabs.peaks (0.93, 0.88, 25.15 ppm; 2.50 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 123 + QD2 LEU 123 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 49 + QD2 LEU 123 OK 72 95 95 80 1.6-4.5 3957=20, 2.1/3948=20...(31) QD1 LEU 62 + QD2 LEU 123 OK 24 96 40 63 3.0-6.7 ~10347=16, 2.1/10348=14...(20) QD1 LEU 48 - QD2 LEU 123 far 0 90 0 - 4.0-8.0 QG2 VAL 63 - QD2 LEU 123 far 0 92 0 - 5.0-9.2 QD1 LEU 119 - QD2 LEU 123 far 0 95 0 - 5.1-7.2 QG1 VAL 57 - QD2 LEU 123 far 0 89 0 - 5.1-9.2 QG2 ILE 37 - QD2 LEU 123 far 0 98 0 - 5.7-13.8 QG1 VAL 20 - QD2 LEU 123 far 0 89 0 - 6.3-24.3 Violated in 0 structures by 0.00 A. Peak 3953 from aliabs.peaks (3.85, 0.93, 23.87 ppm; 3.07 A): 3 out of 12 assignments used, quality = 0.98: * HA LEU 123 + QD1 LEU 123 OK 97 100 100 97 2.6-3.8 4.0=44, 3.0/3954=34...(25) HB2 SER 50 + QD1 LEU 123 OK 29 65 55 81 2.3-5.9 3.0/11874=32, ~11636=12...(24) HB3 SER 50 + QD1 LEU 123 OK 20 63 40 80 3.8-6.3 3.0/11874=32...(26) HA LEU 62 - QD1 LEU 123 far 5 90 5 - 3.9-10.3 HA LEU 62 - QD1 LEU 48 far 2 42 5 - 4.1-11.4 HB3 SER 50 - QD1 LEU 48 far 0 26 0 - 5.1-7.5 HB2 SER 50 - QD1 LEU 48 far 0 28 0 - 5.3-8.7 HA LEU 123 - QD1 LEU 48 far 0 52 0 - 6.3-11.0 HA LEU 70 - QD1 LEU 48 far 0 24 0 - 7.6-13.3 HA GLU 40 - QD1 LEU 48 far 0 36 0 - 8.9-11.7 HA LEU 70 - QD1 LEU 123 far 0 57 0 - 8.9-10.9 HD2 PRO 117 - QD1 LEU 123 far 0 100 0 - 9.9-12.7 Violated in 6 structures by 0.09 A. Peak 3954 from aliabs.peaks (1.65, 0.93, 23.87 ppm; 3.35 A): 2 out of 26 assignments used, quality = 1.00: * HB2 LEU 123 + QD1 LEU 123 OK 100 100 100 100 1.9-3.2 3.2=100 HG LEU 62 + QD1 LEU 123 OK 28 100 30 94 3.0-9.5 2.1/10347=52...(32) HB2 LEU 69 - QD1 LEU 48 poor 10 52 20 - 4.1-10.1 HD3 LYS 24 - QD1 LEU 48 far 5 51 10 - 3.3-21.5 HD2 LYS 24 - QD1 LEU 48 far 5 46 10 - 3.0-22.6 HG LEU 119 - QD1 LEU 123 far 3 65 5 - 4.6-9.2 HD2 LYS 19 - QD1 LEU 48 far 3 52 5 - 3.2-28.5 HD3 LYS 19 - QD1 LEU 48 far 3 52 5 - 4.1-29.8 HD2 LYS 26 - QD1 LEU 48 far 2 48 5 - 4.2-22.0 HD3 LYS 36 - QD1 LEU 48 far 2 46 5 - 3.5-13.3 HD2 LYS 36 - QD1 LEU 48 far 2 45 5 - 3.4-14.7 HD3 LYS 26 - QD1 LEU 48 far 2 45 5 - 4.1-21.6 HG LEU 62 - QD1 LEU 48 far 0 51 0 - 5.3-13.1 HG LEU 22 - QD1 LEU 48 far 0 26 0 - 5.3-25.2 HD2 LYS 31 - QD1 LEU 48 far 0 51 0 - 5.8-19.2 HD3 LYS 31 - QD1 LEU 48 far 0 49 0 - 6.2-19.6 HB2 LEU 69 - QD1 LEU 123 far 0 100 0 - 6.3-10.5 HB2 LEU 123 - QD1 LEU 48 far 0 52 0 - 7.2-11.4 HG3 ARG 23 - QD1 LEU 48 far 0 25 0 - 7.7-23.1 HG LEU 43 - QD1 LEU 48 far 0 51 0 - 8.3-11.0 HD2 LYS 26 - QD1 LEU 123 far 0 97 0 - 8.6-20.6 HG LEU 119 - QD1 LEU 48 far 0 28 0 - 8.8-15.9 HD2 LYS 36 - QD1 LEU 123 far 0 95 0 - 8.9-19.7 HD3 LYS 26 - QD1 LEU 123 far 0 95 0 - 9.4-20.7 HG LEU 43 - QD1 LEU 123 far 0 99 0 - 9.6-14.6 HD3 LYS 36 - QD1 LEU 123 far 0 96 0 - 9.6-19.1 Violated in 0 structures by 0.00 A. Peak 3955 from aliabs.peaks (1.88, 0.93, 23.87 ppm; 3.86 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 123 + QD1 LEU 123 OK 100 100 100 100 1.9-3.1 3.2=100 HB3 LEU 48 + QD1 LEU 48 OK 44 44 100 100 2.0-3.2 3.1=100 HB3 LEU 119 - QD1 LEU 123 poor 20 99 20 - 4.4-7.9 HB3 LYS 36 - QD1 LEU 48 far 3 51 5 - 5.3-13.7 HB3 LEU 48 - QD1 LEU 123 far 0 93 0 - 6.4-10.3 HB3 LEU 123 - QD1 LEU 48 far 0 52 0 - 7.6-11.9 HB2 GLU 40 - QD1 LEU 48 far 0 38 0 - 8.5-11.6 HB3 LEU 119 - QD1 LEU 48 far 0 50 0 - 9.6-15.6 Violated in 0 structures by 0.00 A. Peak 3956 from aliabs.peaks (1.57, 0.93, 23.87 ppm; 3.00 A): 2 out of 14 assignments used, quality = 1.00: * HG LEU 123 + QD1 LEU 123 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 49 + QD1 LEU 123 OK 32 99 35 93 3.8-6.5 3948/2.1=28, 2.1/3957=16...(45) HG LEU 49 - QD1 LEU 48 poor 17 51 45 73 2.1-5.9 2.1/1578=9, 3941/2.1=9...(30) HB2 LEU 119 - QD1 LEU 123 poor 16 81 20 - 3.1-7.4 HB2 LEU 22 - QD1 LEU 48 far 0 34 0 - 6.2-23.4 HG LEU 123 - QD1 LEU 48 far 0 52 0 - 6.3-11.1 HG2 ARG 23 - QD1 LEU 48 far 0 52 0 - 6.5-23.4 HG13 ILE 37 - QD1 LEU 48 far 0 46 0 - 6.5-15.0 HB3 LEU 42 - QD1 LEU 48 far 0 34 0 - 7.7-10.4 HG LEU 103 - QD1 LEU 123 far 0 99 0 - 8.2-12.1 HB3 LEU 42 - QD1 LEU 123 far 0 78 0 - 8.6-13.4 HB2 LEU 119 - QD1 LEU 48 far 0 36 0 - 8.8-14.2 HB2 LEU 103 - QD1 LEU 123 far 0 97 0 - 9.1-12.1 HG LEU 103 - QD1 LEU 48 far 0 50 0 - 9.8-18.7 Violated in 0 structures by 0.00 A. Peak 3957 from aliabs.peaks (0.88, 0.93, 23.87 ppm; 2.50 A): 2 out of 22 assignments used, quality = 1.00: * QD2 LEU 123 + QD1 LEU 123 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 48 + QD1 LEU 48 OK 45 45 100 100 1.9-2.1 2.1=100 QG2 VAL 57 - QD1 LEU 123 poor 18 71 25 - 3.2-8.6 QD2 LEU 69 - QD1 LEU 48 poor 10 42 25 - 2.2-8.4 QG2 VAL 20 - QD1 LEU 48 far 2 47 5 - 3.7-22.2 QG1 VAL 20 - QD1 LEU 48 far 1 29 5 - 2.3-21.5 QD2 LEU 123 - QD1 LEU 48 far 0 52 0 - 4.0-8.0 QD2 LEU 48 - QD1 LEU 123 far 0 95 0 - 4.6-8.4 QD1 LEU 48 - QD1 LEU 123 far 0 65 0 - 4.6-8.7 QD1 LEU 22 - QD1 LEU 48 far 0 51 0 - 4.7-20.5 QD2 LEU 69 - QD1 LEU 123 far 0 90 0 - 5.0-8.6 QG1 VAL 118 - QD1 LEU 123 far 0 97 0 - 5.1-8.3 QD2 LEU 70 - QD1 LEU 48 far 0 30 0 - 5.4-13.2 QG2 VAL 57 - QD1 LEU 48 far 0 30 0 - 5.9-9.8 QD2 LEU 70 - QD1 LEU 123 far 0 71 0 - 6.0-9.8 QG2 VAL 63 - QD1 LEU 123 far 0 63 0 - 6.3-11.0 QG1 VAL 118 - QD1 LEU 48 far 0 47 0 - 7.4-13.7 QG2 VAL 63 - QD1 LEU 48 far 0 26 0 - 7.5-13.6 QG1 VAL 20 - QD1 LEU 123 far 0 68 0 - 7.9-25.9 QD2 LEU 98 - QD1 LEU 123 far 0 100 0 - 8.6-12.7 QG2 VAL 20 - QD1 LEU 123 far 0 97 0 - 9.4-24.0 QD1 LEU 98 - QD1 LEU 123 far 0 76 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 3958 from aliabs.peaks (0.93, 0.93, 23.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 123 + QD1 LEU 123 OK 100 100 - 100 QD1 LEU 48 + QD1 LEU 48 OK 42 42 - 100 Peak 3960 from aliabs.peaks (7.94, 4.24, 61.34 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + HA SER 124 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 3961 from aliabs.peaks (4.24, 4.24, 61.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 124 + HA SER 124 OK 100 100 - 100 HA SER 94 + HA SER 94 OK 92 92 - 100 Peak 3962 from aliabs.peaks (3.99, 4.24, 61.34 ppm; 3.55 A): 3 out of 8 assignments used, quality = 1.00: * HB2 SER 124 + HA SER 124 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 94 + HA SER 94 OK 78 78 100 100 3.0-3.0 3.0=100 HB3 SER 124 + HA SER 124 OK 76 76 100 100 2.7-3.0 3.0=100 HA SER 50 - HA SER 124 far 10 99 10 - 4.5-8.1 HA GLU 91 - HA SER 94 far 0 80 0 - 5.4-6.1 HA GLN 127 - HA SER 124 far 0 81 0 - 5.4-6.0 HB3 SER 99 - HA SER 94 far 0 90 0 - 7.9-10.5 HB3 SER 99 - HA SER 124 far 0 99 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 3963 from aliabs.peaks (4.01, 4.24, 61.34 ppm; 3.47 A): 3 out of 9 assignments used, quality = 1.00: * HB3 SER 124 + HA SER 124 OK 100 100 100 100 2.7-3.0 3.0=100 HB2 SER 124 + HA SER 124 OK 76 76 100 100 2.2-3.0 3.0=100 HA LYS 95 + HA SER 94 OK 65 86 100 76 4.6-4.7 4.9=36, 3.6/7313=18...(13) HA SER 50 - HA SER 124 far 9 90 10 - 4.5-8.1 HA LEU 122 - HA SER 124 far 0 65 0 - 6.3-7.0 HA LEU 119 - HA SER 124 far 0 95 0 - 7.6-9.8 HA LEU 122 - HA SER 94 far 0 56 0 - 7.9-9.5 HB3 SER 99 - HA SER 94 far 0 82 0 - 7.9-10.5 HB3 SER 99 - HA SER 124 far 0 92 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 3964 from aliabs.peaks (8.04, 4.24, 61.34 ppm; 5.86 A): 1 out of 3 assignments used, quality = 1.00: * H CYS 125 + HA SER 124 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 130 - HA SER 124 far 0 99 0 - 7.9-8.5 H ALA 52 - HA SER 124 far 0 92 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. Peak 3965 from aliabs.peaks (8.20, 4.24, 61.34 ppm; 5.19 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 127 + HA SER 124 OK 100 100 100 100 3.5-4.2 7804=98, 7813/3966=78...(15) H LEU 122 - HA SER 124 far 0 97 0 - 6.8-7.3 H LEU 122 - HA SER 94 far 0 87 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 3966 from aliabs.peaks (2.05, 4.24, 61.34 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 127 + HA SER 124 OK 100 100 100 100 2.5-4.7 4039=91, 1.8/4049=69...(16) HB3 GLN 27 - HA SER 94 far 0 82 0 - 5.6-28.7 HG2 ARG 90 - HA SER 94 far 0 59 0 - 6.7-9.4 HB3 GLU 91 - HA SER 94 far 0 80 0 - 7.4-8.3 HB2 LEU 62 - HA SER 124 far 0 98 0 - 9.7-16.0 Violated in 5 structures by 0.16 A. Peak 3967 from aliabs.peaks (2.22, 4.24, 61.34 ppm; 3.86 A): 4 out of 9 assignments used, quality = 1.00: * HB3 GLN 127 + HA SER 124 OK 99 100 100 99 3.0-4.7 4049=81, 1.8/3966=73...(13) HB3 GLU 128 + HA SER 124 OK 60 98 75 82 4.1-7.2 3.6/7838=29, 3125=25...(11) HG2 GLU 97 + HA SER 94 OK 54 73 75 98 2.4-6.4 11457=73, 2.9/3117=59...(14) HB3 GLU 97 + HA SER 94 OK 46 93 50 98 4.5-6.3 1.8/3117=75...(14) HB3 LEU 96 - HA SER 94 far 0 73 0 - 5.6-7.3 HB2 GLN 101 - HA SER 94 far 0 78 0 - 7.0-8.9 HG2 GLU 91 - HA SER 94 far 0 86 0 - 7.0-7.9 HB3 LEU 96 - HA SER 124 far 0 83 0 - 7.7-9.0 HB3 GLU 102 - HA SER 94 far 0 92 0 - 9.9-13.1 Violated in 4 structures by 0.02 A. Peak 3968 from aliabs.peaks (4.48, 3.99, 62.31 ppm; 3.78 A): 1 out of 8 assignments used, quality = 0.86: * HA ASN 121 + HB2 SER 124 OK 86 100 100 86 3.8-4.4 7758/7769=41, 3837=39...(10) HB THR 54 - HA SER 50 far 9 62 15 - 3.8-8.9 HB THR 54 - HB3 SER 51 far 0 42 0 - 6.1-8.8 HA ASP 35 - HA VAL 20 far 0 71 0 - 7.0-31.9 HB THR 54 - HB2 SER 124 far 0 81 0 - 8.4-15.0 HA SER 106 - HA VAL 20 far 0 61 0 - 8.5-43.5 HB THR 54 - HA VAL 20 far 0 78 0 - 8.6-36.6 HA ASN 121 - HA SER 50 far 0 85 0 - 10.0-12.2 Violated in 20 structures by 0.35 A. Peak 3970 from aliabs.peaks (4.24, 3.99, 62.31 ppm; 3.38 A): 4 out of 25 assignments used, quality = 1.00: * HA SER 124 + HB2 SER 124 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 19 + HA VAL 20 OK 48 61 85 93 4.5-4.9 6160/3.0=28...(18) HA SER 51 + HA SER 50 OK 42 51 100 82 4.6-4.7 4.9=33, 3.6/6650=15...(18) HA SER 51 + HB3 SER 51 OK 35 35 100 100 2.7-3.0 2.9=100 HA SER 124 - HA SER 50 far 9 85 10 - 4.5-8.1 HA ALA 28 - HA VAL 20 far 5 99 5 - 2.3-19.2 HA LYS 26 - HA VAL 20 far 3 69 5 - 4.8-15.9 HA LYS 31 - HA VAL 20 far 3 63 5 - 4.4-22.5 HA LYS 26 - HB3 SER 51 far 2 36 5 - 4.6-29.2 HA LEU 22 - HA VAL 20 far 0 76 0 - 5.5-7.1 HA GLN 27 - HB3 SER 51 far 0 60 0 - 6.0-28.3 HA LYS 19 - HB3 SER 51 far 0 31 0 - 6.2-37.9 HA GLN 27 - HA VAL 20 far 0 99 0 - 6.9-17.6 HB3 SER 38 - HA VAL 20 far 0 61 0 - 6.9-31.9 HA ALA 28 - HB3 SER 51 far 0 61 0 - 7.1-26.2 HA ALA 29 - HA VAL 20 far 0 88 0 - 7.3-18.3 HA GLN 27 - HA SER 50 far 0 84 0 - 8.2-27.2 HA SER 51 - HA VAL 20 far 0 66 0 - 8.3-35.2 HA LEU 22 - HB3 SER 51 far 0 41 0 - 8.7-31.5 HA GLU 30 - HA VAL 20 far 0 61 0 - 8.7-20.5 HA ALA 28 - HA SER 50 far 0 85 0 - 9.1-24.6 HA ALA 29 - HB3 SER 51 far 0 50 0 - 9.3-24.5 HA LYS 26 - HA SER 50 far 0 54 0 - 9.5-26.5 HA ALA 29 - HA SER 50 far 0 72 0 - 9.7-21.5 HA SER 51 - HB2 SER 124 far 0 68 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 3971 from aliabs.peaks (3.99, 3.99, 62.31 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 SER 124 + HB2 SER 124 OK 100 100 - 100 HA VAL 20 + HA VAL 20 OK 99 99 - 100 HA SER 50 + HA SER 50 OK 83 83 - 100 HB3 SER 51 + HB3 SER 51 OK 58 58 - 100 Peak 3972 from aliabs.peaks (4.01, 3.99, 62.31 ppm; diagonal): 3 out of 3 assignments used, quality = 0.98: HA VAL 20 + HA VAL 20 OK 76 76 - 100 HB2 SER 124 + HB2 SER 124 OK 76 76 - 100 HA SER 50 + HA SER 50 OK 72 72 - 100 Reference assignment not found: HB3 SER 124 - HB2 SER 124 Peak 3974 from aliabs.peaks (4.48, 4.01, 62.31 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.90: * HA ASN 121 + HB3 SER 124 OK 90 100 100 90 2.5-4.0 7758/3975=41...(12) HB THR 54 - HA SER 50 far 6 42 15 - 3.8-8.9 HB THR 54 - HB3 SER 124 far 0 81 0 - 7.5-13.6 HA ASN 121 - HA SER 50 far 0 61 0 - 10.0-12.2 Violated in 3 structures by 0.03 A. Peak 3976 from aliabs.peaks (4.24, 4.01, 62.31 ppm; 3.16 A): 1 out of 8 assignments used, quality = 1.00: * HA SER 124 + HB3 SER 124 OK 100 100 100 100 2.7-3.0 3.0=100 HA SER 51 - HA SER 50 far 3 34 10 - 4.6-4.7 HA SER 124 - HA SER 50 far 3 61 5 - 4.5-8.1 HA GLN 27 - HA SER 50 far 0 60 0 - 8.2-27.2 HA ALA 28 - HA SER 50 far 0 61 0 - 9.1-24.6 HA SER 99 - HB3 SER 124 far 0 85 0 - 9.4-11.3 HA LYS 26 - HA SER 50 far 0 36 0 - 9.5-26.5 HA ALA 29 - HA SER 50 far 0 50 0 - 9.7-21.5 Violated in 0 structures by 0.00 A. Peak 3977 from aliabs.peaks (3.99, 4.01, 62.31 ppm; diagonal): 2 out of 2 assignments used, quality = 0.90: HB3 SER 124 + HB3 SER 124 OK 76 76 - 100 HA SER 50 + HA SER 50 OK 59 59 - 100 Reference assignment not found: HB2 SER 124 - HB3 SER 124 Peak 3978 from aliabs.peaks (4.01, 4.01, 62.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 124 + HB3 SER 124 OK 100 100 - 100 HA SER 50 + HA SER 50 OK 50 50 - 100 Peak 3979 from aliabs.peaks (8.04, 4.01, 62.31 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: * H CYS 125 + HB3 SER 124 OK 100 100 100 100 2.5-3.5 4.5=100 H LEU 48 + HA SER 50 OK 59 59 100 100 6.6-6.8 6590/2.9=97, 6578/3.0=45...(13) H ALA 52 + HA SER 50 OK 51 51 100 100 4.0-4.6 6645/2.9=84, ~1601=49...(20) H CYS 125 - HA SER 50 poor 12 61 20 - 7.6-9.3 H SER 130 - HA SER 50 poor 12 59 20 - 7.8-10.8 H ALA 52 - HB3 SER 124 far 0 92 0 - 9.7-13.7 H SER 130 - HB3 SER 124 far 0 99 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 3980 from aliabs.peaks (8.04, 4.36, 62.46 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 125 + HA CYS 125 OK 100 100 100 100 2.8-2.9 2.9=100 H SER 130 - HA CYS 125 far 0 99 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 3981 from aliabs.peaks (4.36, 4.36, 62.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 125 + HA CYS 125 OK 100 100 - 100 Peak 3982 from aliabs.peaks (2.73, 4.36, 62.46 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + HA CYS 125 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 CYS 73 - HA CYS 125 far 0 99 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 3983 from aliabs.peaks (3.20, 4.36, 62.46 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HA CYS 125 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3984 from aliabs.peaks (8.28, 4.36, 62.46 ppm; 4.61 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 126 + HA CYS 125 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 96 + HA CYS 125 OK 94 100 95 100 5.1-6.3 9982/10379=40...(34) H LEU 123 - HA CYS 125 far 0 96 0 - 6.7-7.1 H ASP 131 - HA CYS 125 far 0 99 0 - 7.5-8.1 H SER 99 - HA CYS 125 far 0 96 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 3985 from aliabs.peaks (7.88, 4.36, 62.46 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA CYS 125 OK 100 100 100 100 3.4-3.8 7839=100, 3.6/3986=71...(22) H ALA 88 - HA CYS 125 far 0 81 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 3986 from aliabs.peaks (2.08, 4.36, 62.46 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 128 + HA CYS 125 OK 100 100 100 100 2.7-4.5 4087=78, 3.0/11698=49...(16) HB VAL 126 - HA CYS 125 far 0 63 0 - 5.7-6.7 HG3 GLU 91 - HA CYS 125 far 0 97 0 - 5.7-10.5 Violated in 13 structures by 0.25 A. Peak 3987 from aliabs.peaks (2.23, 4.36, 62.46 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 128 + HA CYS 125 OK 100 100 100 100 2.5-4.3 1.8/3986=77, 4095=51...(24) HB3 LEU 96 + HA CYS 125 OK 53 97 55 100 4.4-6.8 3.2/10378=23, ~9987=23...(45) HB3 GLN 127 - HA CYS 125 far 5 98 5 - 5.0-7.1 HG2 GLU 91 - HA CYS 125 far 0 81 0 - 5.8-10.8 HG2 GLU 97 - HA CYS 125 far 0 97 0 - 9.2-11.4 Violated in 2 structures by 0.02 A. Peak 3988 from aliabs.peaks (4.04, 2.73, 26.80 ppm; 3.78 A): 3 out of 9 assignments used, quality = 1.00: * HA LEU 122 + HB2 CYS 125 OK 94 100 100 94 2.2-4.7 3.0/11653=33...(23) HA LEU 96 + HB2 CYS 125 OK 91 93 100 97 1.9-4.2 3994/1.8=27...(31) HA ALA 92 + HB2 CYS 125 OK 81 92 95 93 2.0-5.5 2.1/11396=29, ~10376=28...(21) HA LYS 95 - HB2 CYS 125 poor 18 92 20 - 4.8-6.8 HB3 SER 124 - HB2 CYS 125 far 7 65 10 - 5.0-6.9 HA LEU 119 - HB2 CYS 125 far 0 93 0 - 7.9-11.0 HB3 SER 74 - HB2 CYS 125 far 0 83 0 - 8.6-12.7 HB2 SER 74 - HB2 CYS 125 far 0 90 0 - 9.1-11.4 HB THR 65 - HB2 CYS 125 far 0 71 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 3990 from aliabs.peaks (4.36, 2.73, 26.80 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HA CYS 125 + HB2 CYS 125 OK 100 100 100 100 2.4-3.0 3.0=100 HA CYS 73 - HB2 CYS 125 far 0 81 0 - 8.3-11.7 HA LEU 69 - HB2 CYS 125 far 0 99 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 3991 from aliabs.peaks (2.73, 2.73, 26.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 125 + HB2 CYS 125 OK 100 100 - 100 Peak 3992 from aliabs.peaks (3.20, 2.73, 26.80 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HB2 CYS 125 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3993 from aliabs.peaks (8.28, 2.73, 26.80 ppm; 4.35 A): 3 out of 6 assignments used, quality = 1.00: * H VAL 126 + HB2 CYS 125 OK 100 100 100 100 2.2-3.5 4.7=82, 7795/1.8=71...(27) H LEU 96 + HB2 CYS 125 OK 99 100 100 99 2.8-4.1 9982/10383=44...(28) H LEU 123 + HB2 CYS 125 OK 38 96 45 87 4.8-7.2 4.3/11653=37...(13) H SER 99 - HB2 CYS 125 far 0 96 0 - 5.9-7.8 H ASP 131 - HB2 CYS 125 far 0 99 0 - 8.9-9.8 H LEU 69 - HB2 CYS 125 far 0 85 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 3994 from aliabs.peaks (4.04, 3.20, 26.80 ppm; 3.77 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 122 + HB3 CYS 125 OK 94 100 100 94 2.2-5.0 3865=27, 3988/1.8=26...(23) HA LEU 96 + HB3 CYS 125 OK 92 93 100 98 1.9-4.7 4.0/9987=42, 4.0/9989=34...(30) HA ALA 92 + HB3 CYS 125 OK 69 92 80 94 2.3-6.6 11395/1.8=28, ~10376=28...(24) HB3 SER 124 - HB3 CYS 125 far 10 65 15 - 4.6-6.8 HA LYS 95 - HB3 CYS 125 far 9 92 10 - 5.1-7.2 HB2 SER 74 - HB3 CYS 125 far 0 90 0 - 8.3-12.0 HA LEU 119 - HB3 CYS 125 far 0 93 0 - 8.3-11.1 HB3 SER 74 - HB3 CYS 125 far 0 83 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3995 from aliabs.peaks (8.04, 3.20, 26.80 ppm; 5.92 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 125 + HB3 CYS 125 OK 100 100 100 100 2.3-3.6 3.9=100 H SER 130 - HB3 CYS 125 far 5 99 5 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 3996 from aliabs.peaks (4.36, 3.20, 26.80 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HA CYS 125 + HB3 CYS 125 OK 100 100 100 100 2.4-3.0 3.0=100 HA CYS 73 - HB3 CYS 125 far 0 81 0 - 8.6-12.2 HA LEU 69 - HB3 CYS 125 far 0 99 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3997 from aliabs.peaks (2.73, 3.20, 26.80 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + HB3 CYS 125 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 CYS 73 - HB3 CYS 125 far 0 99 0 - 6.2-10.2 Violated in 0 structures by 0.00 A. Peak 3998 from aliabs.peaks (3.20, 3.20, 26.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HB3 CYS 125 OK 100 100 - 100 Peak 3999 from aliabs.peaks (8.28, 3.20, 26.80 ppm; 4.17 A): 3 out of 6 assignments used, quality = 1.00: * H VAL 126 + HB3 CYS 125 OK 100 100 100 100 2.2-3.6 7795=73, 7792/7784=60...(24) H LEU 96 + HB3 CYS 125 OK 99 100 100 99 2.7-4.5 4.6/9987=43...(31) H LEU 123 + HB3 CYS 125 OK 44 96 55 83 4.8-7.3 7776/7784=25...(13) H SER 99 - HB3 CYS 125 far 0 96 0 - 5.7-7.8 H ASP 131 - HB3 CYS 125 far 0 99 0 - 8.9-10.1 H LEU 69 - HB3 CYS 125 far 0 85 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. Peak 4000 from aliabs.peaks (8.28, 3.43, 67.09 ppm; 4.47 A): 2 out of 8 assignments used, quality = 1.00: * H VAL 126 + HA VAL 126 OK 100 100 100 100 2.7-2.8 2.9=100 H LEU 96 + HA VAL 126 OK 74 100 75 98 4.7-7.3 9982/10402=53...(28) H ASP 131 - HA VAL 126 far 0 99 0 - 6.3-7.2 H LEU 69 - HA VAL 126 far 0 85 0 - 6.6-9.1 H LEU 123 - HA VAL 126 far 0 96 0 - 7.1-7.5 H LEU 49 - HA VAL 126 far 0 81 0 - 8.2-10.9 H SER 99 - HA VAL 126 far 0 96 0 - 8.5-11.0 H LEU 43 - HA VAL 126 far 0 99 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 4001 from aliabs.peaks (3.43, 3.43, 67.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 126 + HA VAL 126 OK 100 100 - 100 Peak 4002 from aliabs.peaks (2.11, 3.43, 67.09 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 126 + HA VAL 126 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 128 - HA VAL 126 far 6 63 10 - 5.1-7.3 HB2 GLU 97 - HA VAL 126 far 0 71 0 - 7.4-9.5 HG3 GLU 91 - HA VAL 126 far 0 89 0 - 8.7-12.4 Violated in 0 structures by 0.00 A. Peak 4003 from aliabs.peaks (0.96, 3.43, 67.09 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 126 + HA VAL 126 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 VAL 126 + HA VAL 126 OK 99 99 100 100 2.1-3.2 3.2=100 QG2 ILE 37 - HA VAL 126 far 0 78 0 - 6.8-12.5 QD2 LEU 53 - HA VAL 126 far 0 97 0 - 7.2-10.6 Violated in 0 structures by 0.00 A. Peak 4004 from aliabs.peaks (0.96, 3.43, 67.09 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 126 + HA VAL 126 OK 100 100 100 100 2.1-3.2 3.2=100 QG1 VAL 126 + HA VAL 126 OK 99 99 100 100 2.2-3.2 3.2=100 QG2 ILE 37 - HA VAL 126 far 0 63 0 - 6.8-12.5 QD2 LEU 53 - HA VAL 126 far 0 100 0 - 7.2-10.6 Violated in 0 structures by 0.00 A. Peak 4005 from aliabs.peaks (8.20, 3.43, 67.09 ppm; 6.31 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA VAL 126 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 122 - HA VAL 126 far 0 97 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 4006 from aliabs.peaks (8.00, 3.43, 67.09 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HA VAL 126 OK 100 100 100 100 3.4-3.8 7873/10402=65, 7859=61...(24) H SER 94 - HA VAL 126 far 0 97 0 - 7.0-8.6 Violated in 0 structures by 0.00 A. Peak 4007 from aliabs.peaks (2.00, 3.43, 67.09 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 129 + HA VAL 126 OK 100 100 100 100 2.4-3.7 3.2/10402=67...(27) HB3 LEU 53 - HA VAL 126 far 0 98 0 - 8.9-11.3 HB2 GLU 91 - HA VAL 126 far 0 99 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 4008 from aliabs.peaks (3.85, 2.11, 31.38 ppm; 4.10 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 123 + HB VAL 126 OK 100 100 100 100 2.8-4.8 3917=81, 10393/2.1=74...(21) HA LEU 70 + HB VAL 126 OK 24 57 70 61 4.1-7.0 ~11665=15, 10396/2.1=15...(10) HB2 SER 50 - HB VAL 126 far 0 65 0 - 6.2-9.6 HB3 SER 50 - HB VAL 126 far 0 63 0 - 6.8-10.4 HA LEU 62 - HB VAL 126 far 0 90 0 - 8.6-11.2 Violated in 5 structures by 0.07 A. Peak 4009 from aliabs.peaks (8.28, 2.11, 31.38 ppm; 4.00 A): 3 out of 8 assignments used, quality = 1.00: * H VAL 126 + HB VAL 126 OK 100 100 100 100 2.3-3.6 3.7=100 H LEU 123 + HB VAL 126 OK 42 96 45 99 5.1-7.0 2.9/3917=53, ~10393=34...(26) H LEU 96 + HB VAL 126 OK 26 100 30 88 4.9-9.2 ~11689=37, 9982/11714=28...(15) H LEU 69 - HB VAL 126 far 8 85 10 - 4.9-8.7 H LEU 49 - HB VAL 126 far 0 81 0 - 5.8-10.0 H ASP 131 - HB VAL 126 far 0 99 0 - 7.0-9.2 H SER 99 - HB VAL 126 far 0 96 0 - 7.3-12.2 H LEU 43 - HB VAL 126 far 0 99 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 4010 from aliabs.peaks (3.43, 2.11, 31.38 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 126 + HB VAL 126 OK 100 100 100 100 2.3-3.0 3.0=100 HA ILE 129 - HB VAL 126 far 0 85 0 - 7.0-8.4 HB3 HIS 67 - HB VAL 126 far 0 63 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 4011 from aliabs.peaks (2.11, 2.11, 31.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 126 + HB VAL 126 OK 100 100 - 100 Peak 4012 from aliabs.peaks (0.96, 2.11, 31.38 ppm; 3.05 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 126 + HB VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 126 + HB VAL 126 OK 99 99 100 100 2.1-2.1 2.1=100 QG2 ILE 37 - HB VAL 126 far 0 78 0 - 5.1-13.0 QD2 LEU 53 - HB VAL 126 far 0 97 0 - 5.7-9.9 QD1 LEU 119 - HB VAL 126 far 0 87 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 4013 from aliabs.peaks (0.96, 2.11, 31.38 ppm; 3.50 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 126 + HB VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 126 + HB VAL 126 OK 99 99 100 100 2.1-2.1 2.1=100 QG2 ILE 37 - HB VAL 126 far 0 63 0 - 5.1-13.0 QD2 LEU 53 - HB VAL 126 far 0 100 0 - 5.7-9.9 QD1 LEU 119 - HB VAL 126 far 0 73 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 4014 from aliabs.peaks (8.20, 2.11, 31.38 ppm; 5.28 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 127 + HB VAL 126 OK 100 100 100 100 2.8-4.0 4.6=100 H LEU 122 + HB VAL 126 OK 33 97 35 98 6.2-8.9 11749/2.1=57, ~11678=38...(18) Violated in 0 structures by 0.00 A. Peak 4015 from aliabs.peaks (8.28, 0.96, 22.63 ppm; 3.58 A): 3 out of 8 assignments used, quality = 1.00: * H VAL 126 + QG1 VAL 126 OK 100 100 100 100 1.8-3.8 4.0=73, 4021/2.1=68...(24) H LEU 123 + QG1 VAL 126 OK 89 96 95 98 3.4-6.3 2.9/10393=52, ~3917=25...(34) H LEU 96 + QG1 VAL 126 OK 26 100 30 85 4.4-7.0 ~11689=29, 9982/10410=21...(19) H LEU 69 - QG1 VAL 126 far 13 85 15 - 3.6-7.6 H LEU 49 - QG1 VAL 126 far 4 81 5 - 4.8-8.9 H SER 99 - QG1 VAL 126 far 0 96 0 - 6.0-8.9 H ASP 131 - QG1 VAL 126 far 0 99 0 - 6.3-8.0 H LEU 43 - QG1 VAL 126 far 0 99 0 - 7.4-10.7 Violated in 1 structures by 0.01 A. Peak 4016 from aliabs.peaks (3.43, 0.96, 22.63 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 126 + QG1 VAL 126 OK 100 100 100 100 2.2-3.2 3.2=100 HA ILE 129 - QG1 VAL 126 far 0 85 0 - 6.0-7.3 HB3 HIS 67 - QG1 VAL 126 far 0 63 0 - 6.1-9.6 HA VAL 77 - QG1 VAL 126 far 0 92 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 4017 from aliabs.peaks (2.11, 0.96, 22.63 ppm; 3.10 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 126 + QG1 VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 128 - QG1 VAL 126 far 0 63 0 - 5.6-8.0 HB2 GLU 97 - QG1 VAL 126 far 0 71 0 - 6.3-9.2 HG3 GLU 91 - QG1 VAL 126 far 0 89 0 - 9.0-12.9 HB2 GLN 61 - QG1 VAL 126 far 0 97 0 - 9.6-12.1 HB VAL 57 - QG1 VAL 126 far 0 85 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 4018 from aliabs.peaks (0.96, 0.96, 22.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 126 + QG1 VAL 126 OK 100 100 - 100 Peak 4019 from aliabs.peaks (0.96, 0.96, 22.63 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 126 + QG1 VAL 126 OK 99 99 - 100 Reference assignment not found: QG2 VAL 126 - QG1 VAL 126 Peak 4020 from aliabs.peaks (8.20, 0.96, 22.63 ppm; 4.34 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 127 + QG1 VAL 126 OK 100 100 100 100 1.7-4.1 4.3=100 H LEU 122 + QG1 VAL 126 OK 66 97 70 97 4.9-7.9 11749=46, 3.3/4015=30...(23) Violated in 0 structures by 0.00 A. Peak 4021 from aliabs.peaks (8.28, 0.96, 24.06 ppm; 3.28 A): 2 out of 8 assignments used, quality = 0.99: * H VAL 126 + QG2 VAL 126 OK 98 100 100 98 1.8-3.8 4.0=57, 7797/2.1=56...(23) H LEU 123 + QG2 VAL 126 OK 41 96 45 96 3.6-6.4 4015/2.1=24, ~10393=22...(29) H LEU 69 - QG2 VAL 126 poor 7 85 25 31 3.8-7.1 2.9/11688=10, ~10395=5...(7) H LEU 49 - QG2 VAL 126 far 0 81 0 - 4.8-7.0 H LEU 96 - QG2 VAL 126 far 0 100 0 - 4.9-7.7 H ASP 131 - QG2 VAL 126 far 0 99 0 - 6.0-7.9 H SER 99 - QG2 VAL 126 far 0 96 0 - 6.4-9.8 H LEU 43 - QG2 VAL 126 far 0 99 0 - 7.1-10.0 Violated in 11 structures by 0.22 A. Peak 4022 from aliabs.peaks (3.43, 0.96, 24.06 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 126 + QG2 VAL 126 OK 100 100 100 100 2.1-3.2 3.2=100 HA ILE 129 - QG2 VAL 126 far 0 85 0 - 6.1-7.2 HB3 HIS 67 - QG2 VAL 126 far 0 63 0 - 6.6-9.7 HA VAL 77 - QG2 VAL 126 far 0 92 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 4023 from aliabs.peaks (2.11, 0.96, 24.06 ppm; 3.12 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 126 + QG2 VAL 126 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 97 - QG2 VAL 126 far 0 71 0 - 6.2-9.7 HB2 GLU 128 - QG2 VAL 126 far 0 63 0 - 6.3-7.9 HB VAL 57 - QG2 VAL 126 far 0 85 0 - 9.2-12.9 HB2 GLN 61 - QG2 VAL 126 far 0 97 0 - 9.3-12.5 HG3 GLU 91 - QG2 VAL 126 far 0 89 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 4024 from aliabs.peaks (0.96, 0.96, 24.06 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 126 + QG2 VAL 126 OK 99 99 - 100 Reference assignment not found: QG1 VAL 126 - QG2 VAL 126 Peak 4025 from aliabs.peaks (0.96, 0.96, 24.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 126 + QG2 VAL 126 OK 100 100 - 100 Peak 4026 from aliabs.peaks (8.20, 0.96, 24.06 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 127 + QG2 VAL 126 OK 100 100 100 100 1.8-4.0 4.4=96, 7809/2.1=85...(31) H LEU 122 + QG2 VAL 126 OK 38 97 40 98 5.2-7.6 3.5/11678=43...(22) Violated in 0 structures by 0.00 A. Peak 4027 from aliabs.peaks (8.20, 3.97, 58.71 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA GLN 127 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 122 - HA GLN 127 far 0 97 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 4028 from aliabs.peaks (3.97, 3.97, 58.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 127 + HA GLN 127 OK 100 100 - 100 HA GLU 91 + HA GLU 91 OK 86 86 - 100 Peak 4029 from aliabs.peaks (2.05, 3.97, 58.71 ppm; 3.43 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLN 127 + HA GLN 127 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 91 + HA GLU 91 OK 74 74 100 100 2.2-2.9 3.0=100 HG2 ARG 90 - HA GLU 91 poor 18 53 45 77 3.2-6.4 7240/2.9=21, ~7233=19...(18) HG3 GLN 134 - HA GLN 127 far 0 63 0 - 7.4-9.4 HB3 GLU 44 - HA GLN 127 far 0 73 0 - 9.8-12.0 HB2 GLU 44 - HA GLN 127 far 0 71 0 - 9.9-11.9 HB2 GLN 134 - HA GLN 127 far 0 63 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 4030 from aliabs.peaks (2.22, 3.97, 58.71 ppm; 3.48 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 91 + HA GLU 91 OK 80 80 100 100 2.0-3.4 3.9=73, 1.8/2884=69...(18) HB3 GLU 128 - HA GLN 127 far 0 98 0 - 5.5-6.5 HB3 LEU 96 - HA GLN 127 far 0 83 0 - 7.1-9.5 HB3 LEU 96 - HA GLU 91 far 0 66 0 - 7.4-10.3 HB3 GLU 128 - HA GLU 91 far 0 83 0 - 8.0-12.2 HG2 GLU 97 - HA GLU 91 far 0 66 0 - 8.1-11.3 HG2 GLN 68 - HA GLN 127 far 0 99 0 - 9.3-14.9 HB3 GLU 97 - HA GLU 91 far 0 87 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 4031 from aliabs.peaks (2.34, 3.97, 58.71 ppm; 3.81 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 127 + HA GLN 127 OK 100 100 100 100 2.9-4.1 3.8=100 HG2 GLU 128 - HA GLN 127 far 0 100 0 - 6.0-6.9 HG2 GLU 128 - HA GLU 91 far 0 87 0 - 7.6-14.0 HB VAL 77 - HA GLU 91 far 0 87 0 - 7.9-9.5 HB3 GLN 134 - HA GLN 127 far 0 93 0 - 8.6-11.4 HG3 GLN 27 - HA GLN 127 far 0 100 0 - 9.7-25.1 HG2 GLU 44 - HA GLN 127 far 0 65 0 - 10.0-13.6 Violated in 2 structures by 0.01 A. Peak 4032 from aliabs.peaks (2.48, 3.97, 58.71 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HA GLN 127 OK 100 100 100 100 2.2-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 4035 from aliabs.peaks (7.88, 3.97, 58.71 ppm; 5.92 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA GLN 127 OK 100 100 100 100 3.5-3.6 3.6=100 H ALA 88 + HA GLU 91 OK 48 64 75 100 7.1-7.6 2.9/11670=69, ~2868=64...(16) Violated in 0 structures by 0.00 A. Peak 4036 from aliabs.peaks (8.03, 3.97, 58.71 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + HA GLN 127 OK 100 100 100 100 3.3-3.8 7878=100, 3.9/4181=69...(15) H CYS 125 - HA GLN 127 far 0 99 0 - 6.6-6.9 H LEU 48 - HA GLN 127 far 0 95 0 - 6.9-8.5 H ALA 52 - HA GLN 127 far 0 98 0 - 8.0-11.1 Violated in 0 structures by 0.00 A. Peak 4037 from aliabs.peaks (3.82, 3.97, 58.71 ppm; 4.01 A): 3 out of 3 assignments used, quality = 1.00: * HB2 SER 130 + HA GLN 127 OK 99 100 100 99 2.8-3.8 1.8/4181=84, 4175=55...(18) HB2 SER 50 + HA GLN 127 OK 70 100 85 83 2.7-6.4 4175=25, 10503/3.0=17...(19) HA ARG 90 + HA GLU 91 OK 60 64 100 94 4.8-4.9 4.8=58, ~7230=29...(13) Violated in 0 structures by 0.00 A. Peak 4038 from aliabs.peaks (3.77, 3.97, 58.71 ppm; 4.13 A): 3 out of 4 assignments used, quality = 1.00: * HB3 SER 130 + HA GLN 127 OK 100 100 100 100 3.3-4.2 4181=100, 1.8/4175=48...(12) HA ARG 90 + HA GLU 91 OK 48 51 100 94 4.8-4.9 4.8=63, ~7230=31...(13) HA SER 130 + HA GLN 127 OK 29 100 30 97 5.5-6.0 3.0/4181=68, 2.9/4036=58...(12) HA LEU 43 - HA GLN 127 far 15 100 15 - 5.2-7.7 Violated in 0 structures by 0.00 A. Peak 4039 from aliabs.peaks (4.24, 2.05, 27.71 ppm; 4.05 A): 1 out of 12 assignments used, quality = 1.00: * HA SER 124 + HB2 GLN 127 OK 100 100 100 100 2.5-4.7 3966=100, 4049/1.8=73...(16) HB THR 115 - HG3 PRO 113 poor 19 42 45 - 3.9-9.4 HA GLU 30 - HG3 PRO 58 far 2 40 5 - 4.1-24.6 HA LYS 19 - HG3 PRO 58 far 0 40 0 - 6.3-34.2 HA SER 51 - HB2 GLN 127 far 0 68 0 - 6.5-10.7 HA ALA 29 - HG3 PRO 58 far 0 62 0 - 7.3-23.4 HA LYS 26 - HG3 PRO 58 far 0 46 0 - 7.3-27.3 HA LEU 22 - HG3 PRO 58 far 0 52 0 - 7.4-30.1 HA ALA 28 - HG3 PRO 58 far 0 75 0 - 7.6-24.6 HA GLN 27 - HG3 PRO 58 far 0 75 0 - 8.3-23.2 HA SER 99 - HG3 PRO 113 far 0 63 0 - 8.4-19.5 HA LYS 31 - HG3 PRO 58 far 0 42 0 - 8.5-27.8 Violated in 5 structures by 0.12 A. Peak 4040 from aliabs.peaks (8.20, 2.05, 27.71 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.3-3.6 4.0=100 H LEU 122 - HB2 GLN 127 far 0 97 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 4041 from aliabs.peaks (3.97, 2.05, 27.71 ppm; 4.01 A): 3 out of 17 assignments used, quality = 1.00: * HA GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 124 + HB2 GLN 127 OK 44 81 55 98 5.1-7.2 3.0/3966=60, ~4049=37...(22) HA SER 50 + HB2 GLN 127 OK 36 63 65 89 3.3-7.0 11498/1.8=25...(22) HB3 SER 107 - HG3 PRO 113 far 4 77 5 - 5.4-20.5 HA2 GLY 17 - HG3 PRO 58 far 3 61 5 - 4.4-38.3 HA3 GLY 17 - HG3 PRO 58 far 0 69 0 - 5.9-36.7 HA3 GLY 111 - HG3 PRO 58 far 0 50 0 - 6.0-19.0 HA VAL 20 - HG3 PRO 58 far 0 52 0 - 6.9-31.9 HB3 SER 51 - HB2 GLN 127 far 0 95 0 - 7.3-12.4 HD3 PRO 117 - HG3 PRO 113 far 0 68 0 - 7.6-13.3 HA3 GLY 111 - HG3 PRO 113 far 0 55 0 - 7.7-9.4 HA LEU 100 - HG3 PRO 113 far 0 81 0 - 7.9-17.8 HB2 SER 51 - HB2 GLN 127 far 0 68 0 - 8.6-12.4 HB3 SER 106 - HG3 PRO 113 far 0 75 0 - 9.0-20.8 HB2 SER 106 - HG3 PRO 113 far 0 81 0 - 9.1-20.9 HB2 SER 106 - HG3 PRO 58 far 0 75 0 - 9.3-19.5 HB3 SER 99 - HG3 PRO 113 far 0 42 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 4042 from aliabs.peaks (2.05, 2.05, 27.71 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLN 127 + HB2 GLN 127 OK 100 100 - 100 HG3 PRO 113 + HG3 PRO 113 OK 77 77 - 100 HG3 PRO 58 + HG3 PRO 58 OK 64 64 - 100 Peak 4043 from aliabs.peaks (2.22, 2.05, 27.71 ppm; 3.03 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 127 + HB2 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 128 + HB2 GLN 127 OK 53 98 75 72 4.1-6.7 3.6/4048=21...(16) HB3 LEU 96 - HB2 GLN 127 far 0 83 0 - 7.6-10.4 HB3 GLN 104 - HG3 PRO 113 far 0 81 0 - 8.0-21.3 HB3 GLU 102 - HG3 PRO 113 far 0 80 0 - 9.7-20.1 Violated in 0 structures by 0.00 A. Peak 4044 from aliabs.peaks (2.34, 2.05, 27.71 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 128 + HB2 GLN 127 OK 29 100 40 72 4.8-6.8 4.6/4048=27, 3.0/4043=25...(14) HG3 GLN 27 - HG3 PRO 58 far 0 75 0 - 7.0-25.4 HG2 GLN 27 - HG3 PRO 58 far 0 75 0 - 8.2-25.9 HB3 GLN 134 - HB2 GLN 127 far 0 93 0 - 9.3-13.0 HB2 PRO 117 - HG3 PRO 113 far 0 69 0 - 9.5-14.5 HG3 GLN 27 - HB2 GLN 127 far 0 100 0 - 9.7-27.5 Violated in 0 structures by 0.00 A. Peak 4045 from aliabs.peaks (2.48, 2.05, 27.71 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 127 + HB2 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 MET 11 - HG3 PRO 58 far 0 36 0 - 8.8-46.6 HG3 GLN 104 - HG3 PRO 113 far 0 80 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 4048 from aliabs.peaks (7.88, 2.05, 27.71 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HB2 GLN 127 OK 100 100 100 100 2.4-3.7 4.7=100 Violated in 0 structures by 0.00 A. Peak 4049 from aliabs.peaks (4.24, 2.22, 27.71 ppm; 4.14 A): 1 out of 9 assignments used, quality = 0.99: * HA SER 124 + HB3 GLN 127 OK 99 100 100 99 3.0-4.7 3966/1.8=82...(14) HA GLN 27 - HB2 GLN 101 far 3 67 5 - 5.3-26.1 HA SER 99 - HB2 GLN 101 far 0 51 0 - 6.3-7.9 HA SER 51 - HB3 GLN 127 far 0 68 0 - 6.6-10.8 HA GLU 30 - HB2 GLN 101 far 0 35 0 - 6.8-22.2 HA ALA 29 - HB2 GLN 101 far 0 56 0 - 6.8-20.1 HA SER 94 - HB2 GLN 101 far 0 67 0 - 7.0-8.9 HA ALA 28 - HB2 GLN 101 far 0 68 0 - 8.1-23.3 HA LYS 26 - HB2 GLN 101 far 0 41 0 - 9.1-25.4 Violated in 15 structures by 0.31 A. Peak 4050 from aliabs.peaks (8.20, 2.22, 27.71 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.5-3.6 4.0=100 H LEU 122 - HB3 GLN 127 far 0 97 0 - 8.7-10.8 H LEU 122 - HB2 GLN 101 far 0 62 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 4051 from aliabs.peaks (3.97, 2.22, 27.71 ppm; 3.73 A): 2 out of 11 assignments used, quality = 1.00: * HA GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 50 + HB3 GLN 127 OK 36 63 65 87 2.3-7.1 4060/4062=22...(25) HB3 SER 106 - HB2 GLN 101 far 3 62 5 - 5.1-13.5 HB2 SER 106 - HB2 GLN 101 far 0 68 0 - 5.2-12.9 HB2 SER 124 - HB3 GLN 127 far 0 81 0 - 5.3-7.5 HA LEU 100 - HB2 GLN 101 far 0 67 0 - 5.7-6.6 HB3 SER 107 - HB2 GLN 101 far 0 64 0 - 5.8-13.6 HB3 SER 99 - HB2 GLN 101 far 0 34 0 - 6.8-8.9 HB3 SER 51 - HB3 GLN 127 far 0 95 0 - 7.4-11.9 HB2 SER 51 - HB3 GLN 127 far 0 68 0 - 8.3-12.6 HB3 SER 94 - HB2 GLN 101 far 0 67 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 4052 from aliabs.peaks (2.05, 2.22, 27.71 ppm; 3.13 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 127 + HB3 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB2 GLN 101 far 3 57 5 - 4.2-26.1 HG3 GLN 134 - HB3 GLN 127 far 0 63 0 - 8.2-11.2 QE MET 11 - HB2 GLN 101 far 0 48 0 - 8.7-41.6 HB VAL 118 - HB2 GLN 101 far 0 54 0 - 9.3-11.6 HB VAL 63 - HB2 GLN 101 far 0 37 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 4053 from aliabs.peaks (2.22, 2.22, 27.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 127 + HB3 GLN 127 OK 100 100 - 100 HB2 GLN 101 + HB2 GLN 101 OK 54 54 - 100 Peak 4054 from aliabs.peaks (2.34, 2.22, 27.71 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 102 + HB2 GLN 101 OK 20 57 50 71 4.5-7.7 7457/4.7=31, 1.8/3358=20...(21) HG2 GLU 128 - HB3 GLN 127 far 10 100 10 - 5.0-7.4 HG2 GLN 27 - HB2 GLN 101 far 3 68 5 - 4.5-27.3 HG3 GLN 27 - HB2 GLN 101 far 0 67 0 - 5.2-26.0 Violated in 0 structures by 0.00 A. Peak 4055 from aliabs.peaks (2.48, 2.22, 27.71 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 127 + HB3 GLN 127 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 102 - HB2 GLN 101 poor 19 35 65 83 4.4-7.1 7458/4.7=24, 1.8/3351=18...(29) HG3 GLN 104 - HB2 GLN 101 far 10 66 15 - 4.9-10.3 Violated in 0 structures by 0.00 A. Peak 4056 from aliabs.peaks (6.82, 2.22, 27.71 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HE21 GLN 127 + HB3 GLN 127 OK 100 100 100 100 3.3-5.3 4.5=100 HE21 GLN 101 + HB2 GLN 101 OK 35 35 100 100 3.2-4.8 4.5=100 QE TYR 72 - HB3 GLN 127 far 9 87 10 - 7.1-14.7 HE21 GLN 68 - HB3 GLN 127 far 0 99 0 - 8.9-16.4 Violated in 0 structures by 0.00 A. Peak 4058 from aliabs.peaks (7.88, 2.22, 27.71 ppm; 5.47 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 128 + HB3 GLN 127 OK 100 100 100 100 2.5-4.1 4.7=100 H GLU 102 + HB2 GLN 101 OK 48 48 100 100 3.6-4.2 4.7=100 H GLN 68 - HB2 GLN 101 far 0 57 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 4059 from aliabs.peaks (8.20, 2.34, 33.53 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 127 + HG2 GLN 127 OK 100 100 100 100 1.8-3.0 4068/1.8=88, 7815=83...(25) H LEU 122 - HG2 GLN 127 far 0 97 0 - 7.4-8.4 H LEU 122 - HG2 GLN 27 far 0 91 0 - 9.8-25.9 Violated in 0 structures by 0.00 A. Peak 4060 from aliabs.peaks (3.97, 2.34, 33.53 ppm; 3.23 A): 2 out of 33 assignments used, quality = 1.00: * HA GLN 127 + HG2 GLN 127 OK 99 100 100 99 2.9-4.1 3.8=64, 3.0/4062=58...(19) HA SER 50 + HG2 GLN 127 OK 40 63 85 74 3.1-5.1 4069/1.8=20...(14) HB3 SER 107 - HG3 GLN 27 far 9 92 10 - 3.9-25.4 HB2 SER 124 - HG2 GLN 127 far 8 81 10 - 4.3-6.9 HB3 SER 107 - HG2 GLN 27 far 5 93 5 - 4.0-27.0 HB2 SER 51 - HG2 GLN 27 far 0 62 0 - 4.8-31.0 HB3 SER 51 - HG3 GLN 27 far 0 88 0 - 5.1-29.4 HB3 SER 51 - HG2 GLN 27 far 0 89 0 - 5.2-30.4 HA LEU 100 - HG2 GLN 27 far 0 96 0 - 5.4-24.4 HB2 SER 51 - HG3 GLN 27 far 0 62 0 - 5.6-30.1 HB3 SER 106 - HG2 GLN 27 far 0 91 0 - 5.6-31.4 HA VAL 20 - HG2 GLN 27 far 0 72 0 - 6.2-19.6 HB2 SER 106 - HG2 GLN 27 far 0 97 0 - 6.4-31.3 HA LEU 100 - HG3 GLN 27 far 0 95 0 - 6.6-22.9 HA VAL 20 - HG3 GLN 27 far 0 71 0 - 6.7-18.5 HB3 SER 106 - HG3 GLN 27 far 0 90 0 - 6.7-29.7 HB3 SER 99 - HG2 GLN 27 far 0 55 0 - 7.0-26.2 HA THR 65 - HG3 GLN 27 far 0 96 0 - 7.2-18.3 HB2 SER 106 - HG3 GLN 27 far 0 96 0 - 7.6-29.7 HB3 SER 94 - HG2 GLN 27 far 0 96 0 - 7.9-31.5 HB3 SER 51 - HG2 GLN 127 far 0 95 0 - 8.4-10.4 HA THR 65 - HG2 GLN 27 far 0 97 0 - 8.6-19.1 HB3 SER 99 - HG3 GLN 27 far 0 54 0 - 8.6-24.8 HB2 SER 51 - HG2 GLN 127 far 0 68 0 - 8.8-11.1 HB3 SER 94 - HG3 GLN 27 far 0 95 0 - 8.8-30.1 HA SER 50 - HG2 GLN 27 far 0 57 0 - 9.0-29.1 HA3 GLY 111 - HG3 GLN 27 far 0 69 0 - 9.0-30.0 HB3 SER 99 - HG2 GLN 127 far 0 60 0 - 9.1-12.2 HA SER 50 - HG3 GLN 27 far 0 57 0 - 9.2-27.9 HA GLN 127 - HG3 GLN 27 far 0 96 0 - 9.7-25.1 HA3 GLY 111 - HG2 GLN 27 far 0 70 0 - 9.7-31.4 HA3 GLY 17 - HG2 GLN 27 far 0 91 0 - 9.8-23.9 HA THR 65 - HG2 GLN 127 far 0 100 0 - 9.9-12.7 Violated in 5 structures by 0.04 A. Peak 4061 from aliabs.peaks (2.05, 2.34, 33.53 ppm; 3.21 A): 3 out of 24 assignments used, quality = 1.00: * HB2 GLN 127 + HG2 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 27 + HG2 GLN 27 OK 86 86 100 100 2.2-3.0 3.0=100 HB3 GLN 27 + HG3 GLN 27 OK 85 85 100 100 2.3-3.0 3.0=100 HB VAL 63 - HG2 GLN 27 far 6 60 10 - 2.1-20.9 HB VAL 63 - HG3 GLN 27 far 6 59 10 - 2.3-19.7 HB3 GLU 44 - HG3 GLN 27 far 3 67 5 - 4.6-24.3 HB2 GLU 44 - HG2 GLN 27 far 3 65 5 - 4.5-24.7 HB2 GLU 44 - HG3 GLN 27 far 3 64 5 - 4.1-24.4 HB3 GLU 44 - HG2 GLN 27 far 0 67 0 - 4.7-24.4 HG3 PRO 58 - HG3 GLN 27 far 0 85 0 - 7.0-25.4 HB3 GLU 40 - HG3 GLN 27 far 0 59 0 - 7.3-27.3 HB VAL 118 - HG2 GLN 27 far 0 83 0 - 7.5-25.4 HB2 LEU 62 - HG3 GLN 27 far 0 92 0 - 7.6-24.2 HB3 GLU 40 - HG2 GLN 27 far 0 60 0 - 7.9-28.0 HB2 LEU 62 - HG2 GLN 27 far 0 93 0 - 8.0-25.1 HG3 PRO 58 - HG2 GLN 27 far 0 86 0 - 8.2-25.9 HG2 PRO 58 - HG3 GLN 27 far 0 71 0 - 8.4-26.9 HB VAL 118 - HG3 GLN 27 far 0 82 0 - 8.6-24.2 QE MET 11 - HG3 GLN 27 far 0 74 0 - 9.0-24.3 HB2 LEU 62 - HG2 GLN 127 far 0 98 0 - 9.3-13.2 HG2 PRO 58 - HG2 GLN 27 far 0 72 0 - 9.6-27.3 HB2 GLN 127 - HG3 GLN 27 far 0 96 0 - 9.7-27.5 HG3 GLN 134 - HG3 GLN 27 far 0 57 0 - 9.8-28.5 QE MET 11 - HG2 GLN 27 far 0 74 0 - 9.8-23.9 Violated in 0 structures by 0.00 A. Peak 4062 from aliabs.peaks (2.22, 2.34, 33.53 ppm; 2.74 A): 1 out of 18 assignments used, quality = 0.93: * HB3 GLN 127 + HG2 GLN 127 OK 93 100 100 93 2.2-3.0 3.0=75, 3.0/4060=25...(12) HB3 GLN 104 - HG2 GLN 27 far 5 97 5 - 3.6-25.2 HB3 GLU 97 - HG2 GLN 27 far 5 96 5 - 4.0-28.4 HB3 GLN 104 - HG3 GLN 27 far 5 96 5 - 3.8-24.4 HG2 GLU 97 - HG2 GLN 27 far 4 77 5 - 2.7-29.2 HG2 GLU 97 - HG3 GLN 27 far 4 76 5 - 4.0-27.8 HB3 GLU 128 - HG2 GLN 127 far 0 98 0 - 4.5-7.6 HB2 GLN 101 - HG2 GLN 27 far 0 83 0 - 4.5-27.3 HB3 GLU 97 - HG3 GLN 27 far 0 96 0 - 5.2-27.0 HB2 GLN 101 - HG3 GLN 27 far 0 82 0 - 5.2-26.0 HB3 GLU 102 - HG2 GLN 27 far 0 95 0 - 5.6-29.6 HB3 GLU 102 - HG3 GLN 27 far 0 95 0 - 6.2-28.0 HB3 LEU 96 - HG2 GLN 127 far 0 83 0 - 7.0-9.1 HG2 GLN 68 - HG3 GLN 27 far 0 94 0 - 8.6-17.4 HB3 LEU 96 - HG2 GLN 27 far 0 77 0 - 8.6-23.8 HB2 GLN 68 - HG3 GLN 27 far 0 95 0 - 8.8-17.0 HB2 GLN 68 - HG2 GLN 27 far 0 96 0 - 9.3-16.1 HG2 GLN 68 - HG2 GLN 127 far 0 99 0 - 9.8-16.5 Violated in 14 structures by 0.17 A. Peak 4063 from aliabs.peaks (2.34, 2.34, 33.53 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 127 + HG2 GLN 127 OK 100 100 - 100 HG2 GLN 27 + HG2 GLN 27 OK 97 97 - 100 HG3 GLN 27 + HG3 GLN 27 OK 96 96 - 100 Peak 4064 from aliabs.peaks (2.48, 2.34, 33.53 ppm; 2.62 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLN 127 + HG2 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 44 - HG2 GLN 27 far 5 96 5 - 4.0-26.7 HG3 GLN 104 - HG2 GLN 27 far 5 95 5 - 1.9-26.1 HG3 GLN 104 - HG3 GLN 27 far 5 95 5 - 3.3-24.6 HG3 GLU 44 - HG3 GLN 27 far 0 95 0 - 4.6-26.6 HG3 GLU 102 - HG2 GLN 27 far 0 57 0 - 5.0-30.4 HG3 GLU 102 - HG3 GLN 27 far 0 57 0 - 5.0-28.9 HG3 GLN 127 - HG3 GLN 27 far 0 96 0 - 10.0-26.9 Violated in 0 structures by 0.00 A. Peak 4067 from aliabs.peaks (7.88, 2.34, 33.53 ppm; 6.80 A): 1 out of 7 assignments used, quality = 1.00: * H GLU 128 + HG2 GLN 127 OK 100 100 100 100 3.0-4.5 3.2/4059=100...(23) H GLU 102 - HG2 GLN 27 far 7 74 10 - 4.8-27.4 H GLU 102 - HG3 GLN 27 far 7 74 10 - 5.1-25.9 H ALA 41 - HG2 GLN 27 far 4 89 5 - 5.6-24.2 H ALA 41 - HG3 GLN 27 far 4 88 5 - 4.3-23.9 H GLN 68 - HG3 GLN 27 far 0 85 0 - 8.5-16.2 H GLN 68 - HG2 GLN 27 far 0 86 0 - 8.8-17.6 Violated in 0 structures by 0.00 A. Peak 4068 from aliabs.peaks (8.20, 2.48, 33.53 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HG3 GLN 127 OK 100 100 100 100 1.8-3.9 7816=100, 4059/1.8=88...(24) H LEU 122 - HG3 GLN 127 far 0 97 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 4069 from aliabs.peaks (3.97, 2.48, 33.53 ppm; 3.57 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.2-3.9 3.8=86, 4060/1.8=58...(21) HA SER 50 + HG3 GLN 127 OK 49 63 95 83 2.1-6.3 4060/1.8=25...(14) HB2 SER 124 - HG3 GLN 127 poor 19 81 25 95 4.5-7.7 3.0/11672=44, ~3966=19...(19) HB3 SER 51 - HG3 GLN 127 far 0 95 0 - 7.3-11.3 HB2 SER 51 - HG3 GLN 127 far 0 68 0 - 7.7-12.4 HA THR 65 - HG3 GLN 127 far 0 100 0 - 9.3-13.4 HB3 SER 99 - HG3 GLN 127 far 0 60 0 - 10.0-13.2 Violated in 3 structures by 0.01 A. Peak 4070 from aliabs.peaks (2.05, 2.48, 33.53 ppm; 3.38 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 134 - HG3 GLN 127 far 0 63 0 - 9.3-12.2 HB2 LEU 62 - HG3 GLN 127 far 0 98 0 - 9.5-14.1 HB3 GLN 27 - HG3 GLN 127 far 0 92 0 - 9.9-27.7 Violated in 0 structures by 0.00 A. Peak 4071 from aliabs.peaks (2.22, 2.48, 33.53 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 127 + HG3 GLN 127 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 128 - HG3 GLN 127 far 15 98 15 - 3.2-8.3 HB3 LEU 96 - HG3 GLN 127 far 0 83 0 - 7.2-10.3 HG2 GLN 68 - HG3 GLN 127 far 0 99 0 - 9.7-16.5 Violated in 0 structures by 0.00 A. Peak 4072 from aliabs.peaks (2.34, 2.48, 33.53 ppm; 2.59 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 127 + HG3 GLN 127 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 128 - HG3 GLN 127 far 0 100 0 - 4.3-8.4 HG2 GLU 44 - HG3 GLN 127 far 0 65 0 - 9.8-16.3 HG3 GLN 27 - HG3 GLN 127 far 0 100 0 - 10.0-26.9 Violated in 0 structures by 0.00 A. Peak 4073 from aliabs.peaks (2.48, 2.48, 33.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HG3 GLN 127 OK 100 100 - 100 Peak 4074 from aliabs.peaks (6.82, 2.48, 33.53 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 127 + HG3 GLN 127 OK 100 100 100 100 3.5-4.1 3.5=100 QE TYR 72 - HG3 GLN 127 far 4 87 5 - 7.8-14.4 Violated in 0 structures by 0.00 A. Peak 4076 from aliabs.peaks (7.88, 2.48, 33.53 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HG3 GLN 127 OK 100 100 100 100 1.9-5.1 3.2/4068=89, 4058/3.0=85...(22) Violated in 0 structures by 0.00 A. Peak 4077 from aliabs.peaks (7.88, 4.19, 59.09 ppm; 4.39 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 128 + HA GLU 128 OK 100 100 100 100 2.7-2.8 2.9=100 H GLN 68 + HA HIS 67 OK 38 38 100 100 3.5-3.6 3.6=100 H GLU 102 - HA HIS 67 far 0 31 0 - 7.4-9.8 H ALA 88 - HA GLU 128 far 0 81 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 4078 from aliabs.peaks (4.19, 4.19, 59.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HA GLU 128 OK 100 100 - 100 HA HIS 67 + HA HIS 67 OK 38 38 - 100 Peak 4079 from aliabs.peaks (2.08, 4.19, 59.09 ppm; 3.71 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLN 27 - HA HIS 67 far 0 36 0 - 5.3-19.8 HB VAL 126 - HA HIS 67 far 0 23 0 - 6.7-9.7 HG3 GLN 134 - HA GLU 128 far 0 100 0 - 7.2-8.7 HB VAL 126 - HA GLU 128 far 0 63 0 - 7.8-8.6 HG3 GLU 91 - HA GLU 128 far 0 97 0 - 8.0-11.8 HB2 LEU 62 - HA HIS 67 far 0 29 0 - 9.0-11.0 HB VAL 118 - HA HIS 67 far 0 38 0 - 9.2-14.3 HB2 GLU 102 - HA HIS 67 far 0 46 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 4080 from aliabs.peaks (2.23, 4.19, 59.09 ppm; 3.58 A): 2 out of 12 assignments used, quality = 1.00: * HB3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 GLN 127 + HA GLU 128 OK 81 98 85 97 4.1-5.6 4058/2.9=43, 1.8/4079=26...(25) HB3 GLN 104 - HA HIS 67 poor 9 44 20 - 4.6-10.3 HG2 GLN 68 - HA HIS 67 far 0 37 0 - 5.3-6.6 HB2 GLN 101 - HA HIS 67 far 0 25 0 - 5.4-8.3 HB2 GLN 68 - HA HIS 67 far 0 40 0 - 5.5-5.9 HG2 GLU 97 - HA HIS 67 far 0 41 0 - 5.6-9.5 HB3 LEU 96 - HA HIS 67 far 0 41 0 - 5.9-9.4 HB3 GLU 97 - HA HIS 67 far 0 41 0 - 6.4-8.8 HB3 LEU 96 - HA GLU 128 far 0 97 0 - 8.2-11.2 HG2 GLU 91 - HA GLU 128 far 0 81 0 - 8.7-12.7 HB3 GLU 102 - HA HIS 67 far 0 46 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4081 from aliabs.peaks (2.34, 4.19, 59.09 ppm; 3.83 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLU 128 + HA GLU 128 OK 100 100 100 100 2.0-3.9 4104=100, 1.8/4111=80...(23) HG2 GLN 127 - HA GLU 128 far 5 100 5 - 5.2-6.6 HG3 GLN 68 - HA HIS 67 far 0 30 0 - 5.4-7.6 HG2 GLN 27 - HA HIS 67 far 0 46 0 - 5.9-20.8 HG3 GLN 27 - HA HIS 67 far 0 45 0 - 7.5-19.4 HB3 GLN 134 - HA GLU 128 far 0 96 0 - 9.1-10.7 HG2 GLU 102 - HA HIS 67 far 0 40 0 - 9.4-13.3 Violated in 1 structures by 0.00 A. Peak 4082 from aliabs.peaks (2.42, 4.19, 59.09 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 128 + HA GLU 128 OK 100 100 100 100 2.2-3.5 4111=100, 1.8/4104=74...(21) HG3 GLU 97 - HA HIS 67 poor 11 31 35 - 4.3-9.7 HG2 GLN 101 - HA HIS 67 far 0 45 0 - 7.6-10.7 Violated in 0 structures by 0.00 A. Peak 4083 from aliabs.peaks (8.00, 4.19, 59.09 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HA GLU 128 OK 100 100 100 100 3.5-3.5 3.6=100 H SER 51 - HA GLU 128 far 0 89 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 4084 from aliabs.peaks (8.27, 4.19, 59.09 ppm; 5.59 A): 3 out of 12 assignments used, quality = 1.00: * H ASP 131 + HA GLU 128 OK 100 100 100 100 3.3-3.8 7904/4086=94...(14) H VAL 126 + HA GLU 128 OK 64 99 65 99 6.8-7.3 3.6/11590=81...(9) H LEU 69 + HA HIS 67 OK 25 25 100 99 4.4-5.1 3.6/6936=71, 6893/3.6=61...(13) H ALA 29 - HA HIS 67 far 1 28 5 - 6.5-15.3 H LEU 123 - HA HIS 67 far 0 45 0 - 7.6-11.4 H VAL 126 - HA HIS 67 far 0 44 0 - 8.0-10.7 H GLU 30 - HA HIS 67 far 0 45 0 - 8.0-15.0 H SER 99 - HA HIS 67 far 0 34 0 - 8.4-10.2 H LEU 96 - HA HIS 67 far 0 46 0 - 9.1-10.4 H LEU 49 - HA HIS 67 far 0 23 0 - 9.5-13.7 H LEU 96 - HA GLU 128 far 0 100 0 - 9.6-10.9 H LEU 123 - HA GLU 128 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 4085 from aliabs.peaks (2.77, 4.19, 59.09 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 131 + HA GLU 128 OK 100 100 100 100 2.7-3.8 4195=100, 1.8/4086=78...(18) HB2 CYS 73 - HA HIS 67 far 0 22 0 - 7.6-10.2 HB2 ASP 64 - HA HIS 67 far 0 37 0 - 7.9-8.7 HB2 CYS 73 - HA GLU 128 far 0 60 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 4086 from aliabs.peaks (2.86, 4.19, 59.09 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ASP 131 + HA GLU 128 OK 100 100 100 100 2.5-3.6 4201=91, 1.8/4195=71...(16) HE2 LYS 95 - HA GLU 128 far 0 98 0 - 8.4-14.7 HE3 LYS 95 - HA GLU 128 far 0 99 0 - 9.4-13.8 HB3 ASN 59 - HA HIS 67 far 0 40 0 - 9.8-12.3 HB3 ASP 47 - HA GLU 128 far 0 65 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 4087 from aliabs.peaks (4.36, 2.08, 28.58 ppm; 4.11 A): 1 out of 14 assignments used, quality = 1.00: * HA CYS 125 + HB2 GLU 128 OK 100 100 100 100 2.7-4.5 3986=100, 11698/3.0=57...(16) HA PRO 81 - HB3 GLN 82 far 2 34 5 - 5.5-6.5 HA ASN 59 - HB2 GLN 61 far 0 47 0 - 5.9-7.3 HA LYS 24 - HB2 GLN 61 far 0 38 0 - 6.7-23.7 HA LYS 24 - HB3 GLU 44 far 0 41 0 - 6.8-29.9 HA ASP 47 - HB3 GLU 44 far 0 56 0 - 7.1-8.0 HA GLN 134 - HB3 GLN 82 far 0 68 0 - 7.5-14.3 HA LEU 69 - HB3 GLU 44 far 0 71 0 - 7.9-10.8 HA LYS 24 - HB2 GLU 102 far 0 65 0 - 8.2-35.5 HA SER 9 - HB3 GLU 44 far 0 47 0 - 8.5-46.1 HA PRO 113 - HB2 GLN 61 far 0 65 0 - 8.6-16.6 HA PRO 113 - HB2 GLU 102 far 0 98 0 - 9.2-18.2 HA GLN 134 - HB3 GLU 44 far 0 74 0 - 9.8-13.4 HA PRO 117 - HB2 GLU 102 far 0 98 0 - 9.9-14.3 Violated in 7 structures by 0.09 A. Peak 4088 from aliabs.peaks (7.88, 2.08, 28.58 ppm; 5.03 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.1-3.5 3.6=100 H GLU 102 + HB2 GLU 102 OK 80 80 100 100 2.2-3.7 3.8=100 H ALA 41 + HB3 GLU 44 OK 59 65 90 100 5.4-6.7 2.9/1281=82, ~1401=64...(23) H ALA 88 - HB3 GLN 82 far 0 48 0 - 7.5-10.2 H ALA 88 - HB2 GLU 128 far 0 81 0 - 7.7-11.5 H GLN 68 - HB2 GLN 61 far 0 58 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 4089 from aliabs.peaks (4.19, 2.08, 28.58 ppm; 4.19 A): 1 out of 13 assignments used, quality = 1.00: * HA GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HA GLU 30 - HB2 GLN 61 far 5 45 10 - 3.5-22.8 HB THR 25 - HB3 GLU 44 far 4 74 5 - 3.3-29.3 HB THR 25 - HB2 GLN 61 far 3 69 5 - 3.5-28.2 HA VAL 105 - HB2 GLU 102 far 0 91 0 - 5.8-8.6 HA ALA 88 - HB2 GLU 128 far 0 95 0 - 6.0-9.7 HB THR 18 - HB2 GLN 61 far 0 63 0 - 6.4-34.4 HA LEU 53 - HB2 GLN 61 far 0 61 0 - 7.0-12.2 HA GLU 30 - HB3 GLU 44 far 0 49 0 - 7.3-22.5 HB THR 18 - HB3 GLU 44 far 0 68 0 - 7.6-36.0 HB3 SER 38 - HB3 GLU 44 far 0 49 0 - 8.0-11.6 HA ALA 34 - HB3 GLU 44 far 0 51 0 - 9.5-13.6 HA HIS 67 - HB2 GLU 102 far 0 91 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 4090 from aliabs.peaks (2.08, 2.08, 28.58 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 GLU 128 + HB2 GLU 128 OK 100 100 - 100 HB2 GLU 102 + HB2 GLU 102 OK 100 100 - 100 HB3 GLU 44 + HB3 GLU 44 OK 71 71 - 100 HB3 GLN 82 + HB3 GLN 82 OK 64 64 - 100 HB2 GLN 61 + HB2 GLN 61 OK 55 55 - 100 Peak 4091 from aliabs.peaks (2.23, 2.08, 28.58 ppm; 2.76 A): 3 out of 16 assignments used, quality = 1.00: * HB3 GLU 128 + HB2 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 102 + HB2 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 82 + HB3 GLN 82 OK 43 43 100 100 1.8-1.8 1.8=100 HB3 GLN 127 - HB2 GLU 128 far 5 98 5 - 4.2-7.4 HB2 PRO 81 - HB3 GLN 82 far 2 40 5 - 3.5-6.9 HB2 GLN 101 - HB2 GLU 102 far 0 68 0 - 5.1-7.0 HG2 GLU 91 - HB2 GLU 128 far 0 81 0 - 6.3-11.3 HB3 GLN 104 - HB2 GLU 102 far 0 98 0 - 6.4-9.5 HB3 LEU 96 - HB2 GLU 128 far 0 97 0 - 6.4-10.9 HB3 GLU 97 - HB2 GLU 102 far 0 95 0 - 6.8-9.0 HG2 GLN 68 - HB3 GLU 44 far 0 61 0 - 8.1-14.1 HG2 GLU 97 - HB2 GLU 102 far 0 96 0 - 8.2-11.4 HB2 GLN 68 - HB2 GLN 61 far 0 61 0 - 8.8-11.1 HB2 GLN 68 - HB3 GLU 44 far 0 65 0 - 9.0-13.3 HG2 GLN 68 - HB2 GLN 61 far 0 57 0 - 9.3-11.9 HB3 LEU 96 - HB2 GLU 102 far 0 96 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 4092 from aliabs.peaks (2.34, 2.08, 28.58 ppm; 3.97 A): 3 out of 15 assignments used, quality = 1.00: * HG2 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 102 + HB2 GLU 102 OK 94 94 100 100 2.2-3.0 3.0=100 HG2 GLU 44 + HB3 GLU 44 OK 45 45 100 100 2.4-3.0 3.0=100 HG2 GLN 27 - HB3 GLU 44 far 7 74 10 - 4.7-24.4 HG3 GLN 27 - HB3 GLU 44 far 7 73 10 - 4.6-24.3 HG2 GLN 127 - HB2 GLU 128 far 0 100 0 - 6.0-7.8 HG2 GLN 27 - HB2 GLU 102 far 0 100 0 - 6.6-30.3 HG3 GLN 27 - HB2 GLU 102 far 0 99 0 - 6.7-28.8 HG3 GLN 27 - HB2 GLN 61 far 0 68 0 - 7.2-23.5 HG3 GLN 68 - HB3 GLU 44 far 0 51 0 - 7.3-13.0 HB2 PRO 117 - HB2 GLU 102 far 0 88 0 - 7.9-15.4 HG3 GLN 68 - HB2 GLN 61 far 0 47 0 - 8.4-12.6 HG2 GLN 27 - HB2 GLN 61 far 0 69 0 - 8.5-23.9 HB3 GLN 134 - HB3 GLU 44 far 0 67 0 - 8.6-12.2 HB3 GLN 134 - HB3 GLN 82 far 0 61 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 4093 from aliabs.peaks (2.42, 2.08, 28.58 ppm; 3.55 A): 5 out of 10 assignments used, quality = 1.00: * HG3 GLU 128 + HB2 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 82 + HB3 GLN 82 OK 64 64 100 100 2.2-3.0 2.9=100 HG3 GLN 82 + HB3 GLN 82 OK 60 60 100 100 2.4-3.0 2.9=100 HG3 GLN 61 + HB2 GLN 61 OK 58 58 100 100 2.4-3.0 3.0=100 HG2 GLN 101 + HB2 GLU 102 OK 43 99 55 79 3.1-6.2 7450/7455=38...(16) HG3 GLU 40 - HB3 GLU 44 far 2 39 5 - 4.9-8.9 HB3 PRO 58 - HB2 GLN 61 far 0 61 0 - 5.7-8.2 HG3 GLU 97 - HB2 GLU 102 far 0 80 0 - 8.3-11.0 HG2 MET 11 - HB2 GLN 61 far 0 45 0 - 8.8-41.5 HG2 GLU 55 - HB2 GLN 61 far 0 38 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 4094 from aliabs.peaks (8.00, 2.08, 28.58 ppm; 4.55 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 129 + HB2 GLU 128 OK 100 100 100 100 2.8-4.2 4.5=100 H ALA 52 - HB2 GLN 61 far 0 45 0 - 6.9-10.7 H VAL 57 - HB2 GLN 61 far 0 69 0 - 7.2-9.4 H SER 94 - HB2 GLU 128 far 0 97 0 - 8.0-10.6 H SER 51 - HB2 GLN 61 far 0 55 0 - 8.8-12.7 H SER 51 - HB3 GLU 44 far 0 59 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 4095 from aliabs.peaks (4.36, 2.23, 28.58 ppm; 4.22 A): 2 out of 8 assignments used, quality = 1.00: * HA CYS 125 + HB3 GLU 128 OK 100 100 100 100 2.5-4.3 3986/1.8=87, 3987=65...(25) HA LEU 69 + HB2 GLN 68 OK 49 50 100 99 4.5-5.6 2.9/6921=29, ~6922=28...(28) HA LYS 24 - HB2 GLN 68 far 1 28 5 - 4.8-20.3 HA LYS 24 - HB3 GLU 102 far 0 64 0 - 7.3-34.6 HA LYS 24 - HB3 GLU 97 far 0 49 0 - 7.7-30.3 HA PRO 113 - HB3 GLU 102 far 0 97 0 - 8.3-18.5 HA PRO 117 - HB3 GLU 102 far 0 98 0 - 9.8-13.1 HA ASP 47 - HB3 GLU 128 far 0 85 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 4096 from aliabs.peaks (7.88, 2.23, 28.58 ppm; 5.17 A): 4 out of 7 assignments used, quality = 1.00: * H GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.1-3.5 3.6=100 H GLU 102 + HB3 GLU 102 OK 79 79 100 100 2.2-3.6 3.8=100 H GLU 102 + HB3 GLU 97 OK 55 62 95 94 4.6-7.6 3.5/3284=33, 3.1/7417=30...(20) H GLN 68 + HB2 GLN 68 OK 43 43 100 100 2.1-2.6 3.7=100 H ALA 88 - HB3 GLU 128 far 0 81 0 - 8.7-12.3 H GLN 68 - HB3 GLU 97 far 0 73 0 - 9.9-12.2 H ALA 41 - HB2 GLN 68 far 0 46 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 4097 from aliabs.peaks (4.19, 2.23, 28.58 ppm; 4.25 A): 2 out of 12 assignments used, quality = 1.00: * HA GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-2.9 3.0=100 HA HIS 67 + HB2 GLN 68 OK 33 43 85 90 5.5-5.9 6916/4.4=43, 11036=31...(14) HA GLU 30 - HB2 GLN 68 poor 8 33 25 - 3.4-13.9 HA ALA 34 - HB2 GLN 68 far 5 35 15 - 4.5-13.5 HA HIS 67 - HB3 GLU 97 far 0 73 0 - 6.4-8.8 HA VAL 105 - HB3 GLU 102 far 0 91 0 - 6.4-8.5 HA ALA 88 - HB3 GLU 128 far 0 95 0 - 6.8-10.9 HA GLU 30 - HB3 GLU 97 far 0 58 0 - 7.6-21.3 HA VAL 105 - HB3 GLU 97 far 0 73 0 - 7.7-12.4 HB3 SER 38 - HB2 GLN 68 far 0 33 0 - 8.1-15.7 HB THR 25 - HB2 GLN 68 far 0 52 0 - 8.1-23.1 HA HIS 67 - HB3 GLU 102 far 0 91 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4098 from aliabs.peaks (2.08, 2.23, 28.58 ppm; 2.96 A): 2 out of 18 assignments used, quality = 1.00: * HB2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 102 + HB3 GLU 102 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 27 - HB3 GLU 97 far 3 70 5 - 2.8-27.1 HG2 PRO 117 - HB3 GLU 102 far 0 59 0 - 6.0-11.8 HG3 GLU 91 - HB3 GLU 128 far 0 97 0 - 6.1-11.0 HB3 GLN 27 - HB3 GLU 102 far 0 87 0 - 6.5-28.8 HG3 PRO 117 - HB3 GLU 102 far 0 59 0 - 6.7-13.4 HB VAL 126 - HB3 GLU 128 far 0 63 0 - 6.8-8.8 HB2 GLU 102 - HB3 GLU 97 far 0 85 0 - 6.8-9.0 HB VAL 118 - HB3 GLU 102 far 0 91 0 - 6.9-9.0 HB VAL 126 - HB3 GLU 97 far 0 47 0 - 7.6-12.4 HB3 GLN 27 - HB2 GLN 68 far 0 41 0 - 7.7-15.5 HB VAL 126 - HB2 GLN 68 far 0 26 0 - 7.7-10.9 HB2 GLN 61 - HB2 GLN 68 far 0 41 0 - 8.8-11.1 HB3 GLU 44 - HB2 GLN 68 far 0 50 0 - 9.0-13.3 HG3 GLN 134 - HB3 GLU 128 far 0 100 0 - 9.1-11.2 HB3 GLN 61 - HB2 GLN 68 far 0 37 0 - 9.6-11.6 HG3 PRO 113 - HB3 GLU 102 far 0 74 0 - 9.7-20.1 Violated in 0 structures by 0.00 A. Peak 4099 from aliabs.peaks (2.23, 2.23, 28.58 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HB3 GLU 128 OK 100 100 - 100 HB3 GLU 102 + HB3 GLU 102 OK 99 99 - 100 HB3 GLU 97 + HB3 GLU 97 OK 77 77 - 100 HB2 GLN 68 + HB2 GLN 68 OK 46 46 - 100 Peak 4100 from aliabs.peaks (2.34, 2.23, 28.58 ppm; 3.63 A): 3 out of 14 assignments used, quality = 1.00: * HG2 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 102 + HB3 GLU 102 OK 93 93 100 100 2.2-3.0 3.0=100 HG3 GLN 68 + HB2 GLN 68 OK 35 35 100 100 2.2-3.0 3.0=100 HG2 GLU 102 - HB3 GLU 97 far 11 76 15 - 4.9-10.0 HG2 GLN 127 - HB3 GLU 128 far 10 100 10 - 4.5-7.6 HG2 GLN 27 - HB3 GLU 97 far 4 84 5 - 4.0-28.4 HG3 GLN 27 - HB3 GLU 97 far 0 84 0 - 5.2-27.0 HG2 GLN 27 - HB3 GLU 102 far 0 99 0 - 5.6-29.6 HG3 GLN 27 - HB3 GLU 102 far 0 99 0 - 6.2-28.0 HB2 PRO 117 - HB3 GLU 102 far 0 87 0 - 8.0-14.0 HG2 GLU 44 - HB2 GLN 68 far 0 31 0 - 8.5-14.9 HG3 GLN 27 - HB2 GLN 68 far 0 52 0 - 8.8-17.0 HG2 GLN 27 - HB2 GLN 68 far 0 52 0 - 9.3-16.1 HB VAL 77 - HB3 GLU 97 far 0 85 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 4101 from aliabs.peaks (2.42, 2.23, 28.58 ppm; 3.34 A): 4 out of 7 assignments used, quality = 1.00: * HG3 GLU 128 + HB3 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 101 + HB3 GLU 97 OK 71 84 90 94 1.9-5.1 3123/1.8=23, 3307=20...(30) HG3 GLU 97 + HB3 GLU 97 OK 62 62 100 100 2.4-2.9 2.9=100 HG2 GLN 101 + HB3 GLU 102 OK 44 99 65 68 2.7-6.2 7450/3.8=30, 3308/3.0=11...(17) HG3 GLU 97 - HB3 GLU 102 far 0 79 0 - 7.0-11.8 HG3 GLU 97 - HB2 GLN 68 far 0 36 0 - 9.6-14.7 HG3 GLN 61 - HB2 GLN 68 far 0 43 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 4102 from aliabs.peaks (8.00, 2.23, 28.58 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 129 + HB3 GLU 128 OK 100 100 100 100 3.1-4.2 4.5=100 H SER 94 - HB3 GLU 97 far 0 80 0 - 6.7-8.6 H SER 94 - HB3 GLU 128 far 0 97 0 - 7.9-10.9 Violated in 0 structures by 0.00 A. Peak 4103 from aliabs.peaks (7.88, 2.34, 34.22 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HG2 GLU 128 OK 100 100 100 100 3.1-3.9 4.6=100 H ALA 88 - HG2 GLU 128 far 0 81 0 - 7.3-12.6 Violated in 0 structures by 0.00 A. Peak 4104 from aliabs.peaks (4.19, 2.34, 34.22 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.0-3.9 4081=97, 4111/1.8=79...(22) HA ALA 88 - HG2 GLU 128 far 0 95 0 - 5.8-11.5 Violated in 4 structures by 0.00 A. Peak 4105 from aliabs.peaks (2.08, 2.34, 34.22 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 91 - HG2 GLU 128 poor 7 97 25 29 4.6-11.2 9911/10446=17...(3) HB VAL 126 - HG2 GLU 128 far 0 63 0 - 6.8-9.7 HG3 GLN 134 - HG2 GLU 128 far 0 100 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 4106 from aliabs.peaks (2.23, 2.34, 34.22 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 127 - HG2 GLU 128 far 0 98 0 - 5.0-7.4 HB3 LEU 96 - HG2 GLU 128 far 0 97 0 - 5.3-10.8 HG2 GLU 91 - HG2 GLU 128 far 0 81 0 - 5.3-12.0 Violated in 0 structures by 0.00 A. Peak 4107 from aliabs.peaks (2.34, 2.34, 34.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 128 + HG2 GLU 128 OK 100 100 - 100 Peak 4108 from aliabs.peaks (2.42, 2.34, 34.22 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 128 + HG2 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4109 from aliabs.peaks (8.00, 2.34, 34.22 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG2 GLU 128 OK 100 100 100 100 2.3-5.2 4109=100, 4116/1.8=85...(20) H SER 94 - HG2 GLU 128 far 0 97 0 - 7.4-13.1 Violated in 12 structures by 0.17 A. Peak 4110 from aliabs.peaks (7.88, 2.42, 34.22 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HG3 GLU 128 OK 100 100 100 100 3.1-4.5 7854=100, 2.9/4111=77...(18) H ALA 88 - HG3 GLU 128 far 0 81 0 - 6.5-12.8 Violated in 1 structures by 0.00 A. Peak 4111 from aliabs.peaks (4.19, 2.42, 34.22 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.2-3.5 4082=88, 4104/1.8=68...(21) HA ALA 88 - HG3 GLU 128 far 0 95 0 - 5.4-11.3 Violated in 0 structures by 0.00 A. Peak 4112 from aliabs.peaks (2.08, 2.42, 34.22 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 91 - HG3 GLU 128 poor 19 97 20 - 4.9-10.5 HB VAL 126 - HG3 GLU 128 far 0 63 0 - 8.3-10.1 HG3 GLN 134 - HG3 GLU 128 far 0 100 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 4113 from aliabs.peaks (2.23, 2.42, 34.22 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 128 + HG3 GLU 128 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 127 - HG3 GLU 128 far 5 98 5 - 4.6-7.9 HG2 GLU 91 - HG3 GLU 128 far 0 81 0 - 5.8-11.1 HB3 LEU 96 - HG3 GLU 128 far 0 97 0 - 6.8-11.2 Violated in 0 structures by 0.00 A. Peak 4114 from aliabs.peaks (2.34, 2.42, 34.22 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 128 + HG3 GLU 128 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 127 - HG3 GLU 128 far 0 100 0 - 5.7-8.8 HB VAL 77 - HG3 GLU 128 far 0 100 0 - 9.6-14.9 Violated in 0 structures by 0.00 A. Peak 4115 from aliabs.peaks (2.42, 2.42, 34.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 128 + HG3 GLU 128 OK 100 100 - 100 Peak 4116 from aliabs.peaks (8.00, 2.42, 34.22 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG3 GLU 128 OK 100 100 100 100 3.1-5.2 4109/1.8=80, 3.6/4111=74...(18) H SER 94 - HG3 GLU 128 far 0 97 0 - 8.3-12.5 Violated in 12 structures by 0.18 A. Peak 4117 from aliabs.peaks (8.00, 3.45, 66.06 ppm; 4.97 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 129 + HA ILE 129 OK 100 100 100 100 2.8-2.9 2.9=100 H SER 94 - HA ILE 129 far 0 97 0 - 7.8-9.1 H SER 94 - HA VAL 77 far 0 81 0 - 8.9-10.1 H ILE 129 - HA VAL 77 far 0 86 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 4118 from aliabs.peaks (3.45, 3.45, 66.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 129 + HA ILE 129 OK 100 100 - 100 HA VAL 77 + HA VAL 77 OK 86 86 - 100 Peak 4119 from aliabs.peaks (2.00, 3.45, 66.06 ppm; 4.67 A): 1 out of 13 assignments used, quality = 1.00: * HB ILE 129 + HA ILE 129 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 90 - HA VAL 77 poor 20 65 30 - 5.3-8.1 HB2 GLU 91 - HA ILE 129 far 0 99 0 - 7.0-8.7 HG2 PRO 81 - HA VAL 77 far 0 86 0 - 7.0-9.4 HB ILE 129 - HA VAL 77 far 0 86 0 - 7.6-9.5 HG2 PRO 81 - HA ILE 129 far 0 100 0 - 7.7-11.3 HB3 GLU 30 - HA VAL 77 far 0 83 0 - 7.9-28.7 HG2 ARG 90 - HA ILE 129 far 0 83 0 - 8.2-10.3 HB2 PRO 81 - HA VAL 77 far 0 26 0 - 8.5-10.1 HB2 GLN 134 - HA ILE 129 far 0 87 0 - 8.8-10.2 HB2 GLU 91 - HA VAL 77 far 0 83 0 - 9.3-10.8 HB3 MET 11 - HA VAL 77 far 0 81 0 - 9.7-44.4 HB2 PRO 81 - HA ILE 129 far 0 35 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 4120 from aliabs.peaks (0.82, 3.45, 66.06 ppm; 3.77 A): 5 out of 12 assignments used, quality = 1.00: * QG2 ILE 129 + HA ILE 129 OK 100 100 100 100 2.2-2.6 3.2=100 QG1 VAL 133 + HA ILE 129 OK 91 92 100 99 3.4-4.6 2.1/10479=48...(33) QG2 ILE 80 + HA VAL 77 OK 82 82 100 100 1.6-5.1 3.1/9725=58, 4.0/9712=30...(47) HG13 ILE 80 + HA VAL 77 OK 79 79 100 100 3.5-5.2 2.1/9725=74, 1.8/9728=33...(47) QG2 ILE 129 + HA VAL 77 OK 47 86 65 84 4.4-6.0 10457/9666=24...(22) QG1 VAL 133 - HA VAL 77 poor 15 74 20 - 4.9-6.8 QG2 ILE 80 - HA ILE 129 far 0 98 0 - 5.7-9.0 HG13 ILE 80 - HA ILE 129 far 0 96 0 - 6.6-10.6 QD2 LEU 49 - HA ILE 129 far 0 65 0 - 7.9-9.9 QD1 LEU 70 - HA ILE 129 far 0 96 0 - 8.1-11.5 QD1 LEU 122 - HA ILE 129 far 0 87 0 - 8.5-11.4 QD1 LEU 70 - HA VAL 77 far 0 79 0 - 8.6-12.3 Violated in 0 structures by 0.00 A. Peak 4121 from aliabs.peaks (0.75, 3.45, 66.06 ppm; 4.39 A): 3 out of 13 assignments used, quality = 1.00: * HG12 ILE 129 + HA ILE 129 OK 100 100 100 100 2.2-3.2 3.7=100 QD2 LEU 96 + HA ILE 129 OK 40 100 45 90 4.6-8.1 4164/4123=19...(26) QG1 VAL 93 + HA VAL 77 OK 33 86 40 98 4.7-6.9 ~9969=39, 11429/9666=32...(21) QD1 LEU 96 - HA ILE 129 poor 20 65 30 - 5.6-8.4 QG1 VAL 93 - HA ILE 129 far 5 100 5 - 4.7-7.9 QD2 LEU 43 - HA ILE 129 far 0 100 0 - 5.9-7.1 HG12 ILE 129 - HA VAL 77 far 0 86 0 - 6.4-9.7 QD1 ILE 37 - HA VAL 77 far 0 61 0 - 7.2-14.7 QD2 LEU 43 - HA VAL 77 far 0 86 0 - 7.3-11.4 QD2 LEU 96 - HA VAL 77 far 0 86 0 - 7.4-9.4 QD1 ILE 32 - HA VAL 77 far 0 61 0 - 7.7-18.4 QD1 LEU 96 - HA VAL 77 far 0 50 0 - 7.8-11.3 QD1 ILE 37 - HA ILE 129 far 0 78 0 - 8.6-13.3 Violated in 0 structures by 0.00 A. Peak 4122 from aliabs.peaks (1.74, 3.45, 66.06 ppm; 5.31 A): 3 out of 7 assignments used, quality = 1.00: * HG13 ILE 129 + HA ILE 129 OK 100 100 100 100 2.3-3.5 3.7=100 HB ILE 80 + HA VAL 77 OK 82 82 100 100 2.1-5.2 3.2/9725=87, 9730=77...(41) HG3 ARG 90 + HA VAL 77 OK 46 84 55 100 4.2-7.6 11303/2401=85...(31) HG13 ILE 129 - HA VAL 77 far 13 86 15 - 6.2-9.5 HG3 ARG 90 - HA ILE 129 far 0 99 0 - 7.5-9.7 HB ILE 80 - HA ILE 129 far 0 98 0 - 7.6-10.3 HB2 LYS 39 - HA VAL 77 far 0 69 0 - 8.1-12.4 Violated in 0 structures by 0.00 A. Peak 4123 from aliabs.peaks (0.65, 3.45, 66.06 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * QD1 ILE 129 + HA ILE 129 OK 100 100 100 100 2.9-3.9 4.2=91, 4163/3.2=78...(32) QD1 LEU 42 - HA VAL 77 poor 18 71 25 - 4.8-7.4 QD1 LEU 42 - HA ILE 129 far 0 89 0 - 5.7-8.1 QD1 ILE 129 - HA VAL 77 far 0 86 0 - 6.6-8.9 QD1 LEU 43 - HA ILE 129 far 0 65 0 - 7.8-9.4 QD1 LEU 43 - HA VAL 77 far 0 50 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 4124 from aliabs.peaks (8.03, 3.45, 66.06 ppm; 5.19 A): 1 out of 3 assignments used, quality = 1.00: * H SER 130 + HA ILE 129 OK 100 100 100 100 3.6-3.6 3.6=100 H CYS 125 - HA ILE 129 far 0 99 0 - 8.2-9.3 H SER 130 - HA VAL 77 far 0 86 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 4125 from aliabs.peaks (8.47, 3.45, 66.06 ppm; 4.98 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 132 + HA ILE 129 OK 100 100 100 100 3.0-3.5 7909=100, 7917/4126=70...(30) H VAL 132 - HA VAL 77 far 0 86 0 - 8.7-10.4 H ALA 12 - HA VAL 77 far 0 61 0 - 9.2-44.3 H ASP 47 - HA ILE 129 far 0 92 0 - 9.6-12.2 H LEU 70 - HA ILE 129 far 0 99 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 4126 from aliabs.peaks (2.28, 3.45, 66.06 ppm; 4.89 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 132 + HA ILE 129 OK 100 100 100 100 3.2-4.8 4213=100, 2.1/10477=92...(24) HB VAL 132 - HA VAL 77 far 0 86 0 - 6.5-9.9 HB2 PRO 81 - HA VAL 77 far 0 25 0 - 8.5-10.1 HG2 GLU 30 - HA VAL 77 far 0 82 0 - 8.9-29.3 HB2 PRO 81 - HA ILE 129 far 0 33 0 - 9.8-13.2 HG3 GLU 30 - HA VAL 77 far 0 50 0 - 9.9-27.9 Violated in 0 structures by 0.00 A. Peak 4127 from aliabs.peaks (3.43, 2.00, 37.96 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * HA VAL 126 + HB ILE 129 OK 100 100 100 100 2.4-3.7 4007=100, 10402/3.2=80...(27) HA ILE 129 + HB ILE 129 OK 85 85 100 100 3.0-3.0 3.0=100 HA VAL 77 - HB ILE 129 far 0 92 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 4128 from aliabs.peaks (8.00, 2.00, 37.96 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 129 + HB ILE 129 OK 100 100 100 100 2.2-2.7 3.8=100 H SER 94 - HB ILE 129 far 0 97 0 - 7.6-8.8 Violated in 0 structures by 0.00 A. Peak 4129 from aliabs.peaks (3.45, 2.00, 37.96 ppm; 4.89 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + HB ILE 129 OK 100 100 100 100 3.0-3.0 3.0=100 HA VAL 126 + HB ILE 129 OK 85 85 100 100 2.4-3.7 4007=77, 3.2/11618=65...(27) HA LEU 42 - HB ILE 129 far 0 92 0 - 7.1-9.2 HA VAL 77 - HB ILE 129 far 0 100 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 4130 from aliabs.peaks (2.00, 2.00, 37.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 129 + HB ILE 129 OK 100 100 - 100 Peak 4131 from aliabs.peaks (0.82, 2.00, 37.96 ppm; 3.93 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 129 + HB ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 133 + HB ILE 129 OK 91 92 100 99 3.6-4.8 11768/2.9=52...(27) QD2 LEU 49 - HB ILE 129 far 0 65 0 - 5.4-7.6 QD1 LEU 70 - HB ILE 129 far 0 96 0 - 5.7-9.4 QG2 ILE 80 - HB ILE 129 far 0 98 0 - 6.2-10.5 QD1 LEU 122 - HB ILE 129 far 0 87 0 - 6.5-9.5 HG13 ILE 80 - HB ILE 129 far 0 96 0 - 8.2-12.0 QG2 ILE 32 - HB ILE 129 far 0 92 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 4132 from aliabs.peaks (0.75, 2.00, 37.96 ppm; 5.10 A): 5 out of 7 assignments used, quality = 1.00: * HG12 ILE 129 + HB ILE 129 OK 100 100 100 100 2.6-3.0 2.9=100 QG1 VAL 93 + HB ILE 129 OK 95 100 95 100 4.3-6.7 ~10487=61, ~10487=60...(34) QD2 LEU 43 + HB ILE 129 OK 92 100 95 97 5.4-6.8 9129/9086=65...(8) QD2 LEU 96 + HB ILE 129 OK 85 100 85 100 3.0-6.9 11807/4007=55, ~11354=32...(38) QD1 LEU 96 + HB ILE 129 OK 65 65 100 100 3.6-6.5 ~11354=32...(37) QD1 ILE 37 - HB ILE 129 far 0 78 0 - 7.4-11.7 QD1 ILE 32 - HB ILE 129 far 0 78 0 - 9.4-15.3 Violated in 0 structures by 0.00 A. Peak 4133 from aliabs.peaks (1.74, 2.00, 37.96 ppm; 4.80 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + HB ILE 129 OK 100 100 100 100 2.6-3.0 2.9=100 HG3 ARG 90 - HB ILE 129 far 0 99 0 - 8.7-10.4 HB ILE 80 - HB ILE 129 far 0 98 0 - 9.1-11.2 HG LEU 100 - HB ILE 129 far 0 60 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 4134 from aliabs.peaks (0.65, 2.00, 37.96 ppm; 4.33 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 129 + HB ILE 129 OK 100 100 100 100 2.0-2.3 3.2=100 QD1 LEU 42 + HB ILE 129 OK 62 89 70 100 3.9-7.1 2.1/9086=69, ~10486=61...(18) QD1 LEU 43 - HB ILE 129 far 0 65 0 - 7.8-9.3 QD2 LEU 100 - HB ILE 129 far 0 63 0 - 9.4-11.6 QD2 LEU 62 - HB ILE 129 far 0 68 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 4135 from aliabs.peaks (8.03, 2.00, 37.96 ppm; 5.10 A): 1 out of 3 assignments used, quality = 1.00: * H SER 130 + HB ILE 129 OK 100 100 100 100 2.2-2.6 4.6=100 H CYS 125 - HB ILE 129 far 0 99 0 - 6.9-8.3 H LEU 48 - HB ILE 129 far 0 95 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 4136 from aliabs.peaks (8.00, 0.82, 16.85 ppm; 4.09 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 129 + QG2 ILE 129 OK 100 100 100 100 3.6-3.8 4.0=100 H SER 94 - QG2 ILE 129 far 0 97 0 - 5.8-7.3 H ILE 129 - QG2 ILE 80 far 0 88 0 - 7.8-11.3 H SER 94 - QG2 ILE 80 far 0 82 0 - 8.1-11.3 H ALA 52 - QG2 ILE 32 far 0 35 0 - 10.0-17.2 Violated in 0 structures by 0.00 A. Peak 4137 from aliabs.peaks (3.45, 0.82, 16.85 ppm; 3.65 A): 4 out of 9 assignments used, quality = 1.00: * HA ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.2-2.6 3.2=100 HA VAL 77 + QG2 ILE 80 OK 86 87 100 100 1.6-5.1 9725/3.1=53, 9668/4.0=30...(47) HA VAL 126 + QG2 ILE 129 OK 84 85 100 99 3.7-4.8 10402/4163=42...(30) HA VAL 77 + QG2 ILE 129 OK 28 100 35 80 4.4-6.0 9666/10457=25...(21) HA LEU 42 - QG2 ILE 32 far 7 46 15 - 5.0-9.4 HA LEU 42 - QG2 ILE 129 far 0 92 0 - 5.3-7.8 HA ILE 129 - QG2 ILE 80 far 0 88 0 - 5.7-9.0 HA LEU 42 - QG2 ILE 80 far 0 76 0 - 8.1-13.5 HA VAL 126 - QG2 ILE 80 far 0 68 0 - 8.2-13.2 Violated in 0 structures by 0.00 A. Peak 4138 from aliabs.peaks (2.00, 0.82, 16.85 ppm; 3.33 A): 2 out of 25 assignments used, quality = 1.00: * HB ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 81 + QG2 ILE 80 OK 81 87 95 99 2.7-5.3 11168/3.2=31, ~11784=23...(43) HB2 PRO 81 - QG2 ILE 80 poor 19 27 70 - 4.0-6.1 HG2 ARG 90 - QG2 ILE 80 far 7 67 10 - 4.4-8.7 HB2 GLU 44 - QG2 ILE 32 far 4 38 10 - 4.4-12.9 HB VAL 20 - QG2 ILE 32 far 0 55 0 - 5.6-19.3 HG2 PRO 81 - QG2 ILE 129 far 0 100 0 - 5.8-9.2 HB3 GLU 40 - QG2 ILE 32 far 0 41 0 - 6.0-15.0 HG2 ARG 90 - QG2 ILE 129 far 0 83 0 - 6.2-8.3 HB ILE 129 - QG2 ILE 80 far 0 88 0 - 6.2-10.5 HB2 GLU 91 - QG2 ILE 129 far 0 99 0 - 6.5-8.3 HB3 GLU 30 - QG2 ILE 32 far 0 53 0 - 7.0-8.5 HB VAL 63 - QG2 ILE 32 far 0 41 0 - 7.4-14.7 HB2 PRO 81 - QG2 ILE 129 far 0 35 0 - 7.7-10.5 HB3 MET 11 - QG2 ILE 80 far 0 82 0 - 7.8-40.0 HB2 GLN 134 - QG2 ILE 129 far 0 87 0 - 7.9-9.1 HB2 GLU 91 - QG2 ILE 80 far 0 84 0 - 8.1-9.9 QE MET 11 - QG2 ILE 80 far 0 56 0 - 8.2-32.3 HB2 GLN 134 - QG2 ILE 80 far 0 70 0 - 8.3-11.6 HB3 GLU 30 - QG2 ILE 129 far 0 99 0 - 9.0-20.4 HB2 GLU 44 - QG2 ILE 129 far 0 81 0 - 9.2-10.8 HG2 PRO 58 - QG2 ILE 32 far 0 34 0 - 9.6-20.0 HB ILE 129 - QG2 ILE 32 far 0 56 0 - 9.9-14.4 HB3 GLU 30 - QG2 ILE 80 far 0 84 0 - 9.9-27.4 HB3 GLU 40 - QG2 ILE 80 far 0 68 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 4139 from aliabs.peaks (0.82, 0.82, 16.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 ILE 129 + QG2 ILE 129 OK 100 100 - 100 QG2 ILE 80 + QG2 ILE 80 OK 83 83 - 100 QG2 ILE 32 + QG2 ILE 32 OK 46 46 - 100 Peak 4140 from aliabs.peaks (0.75, 0.82, 16.85 ppm; 2.95 A): 6 out of 21 assignments used, quality = 1.00: * HG12 ILE 129 + QG2 ILE 129 OK 99 100 100 99 1.9-3.2 3.2=79, 2.1/4163=65...(19) QG1 VAL 93 + QG2 ILE 129 OK 54 100 55 98 2.6-5.0 11406=42, 2.1/11405=31...(40) QD2 LEU 96 + QG2 ILE 129 OK 38 100 45 84 3.1-5.9 4164/4163=14...(35) QD1 ILE 32 + QG2 ILE 32 OK 37 37 100 100 1.7-3.1 3.0=95, 2.1/907=34...(31) QD1 LEU 96 + QG2 ILE 129 OK 26 65 50 79 3.3-5.9 3.2/9714=13...(33) QD2 LEU 43 + QG2 ILE 129 OK 20 100 25 82 4.0-6.0 9176/11245=34...(16) QD1 ILE 37 - QG2 ILE 32 far 6 37 15 - 2.0-6.2 QD2 LEU 43 - QG2 ILE 80 far 0 87 0 - 5.0-11.0 QD1 ILE 37 - QG2 ILE 129 far 0 78 0 - 5.3-8.9 QG1 VAL 93 - QG2 ILE 80 far 0 87 0 - 5.6-9.0 HG12 ILE 129 - QG2 ILE 80 far 0 88 0 - 6.0-10.2 QD1 ILE 37 - QG2 ILE 80 far 0 62 0 - 6.0-14.9 QG1 VAL 93 - QG2 ILE 32 far 0 55 0 - 6.7-12.7 QD1 ILE 32 - QG2 ILE 129 far 0 78 0 - 6.8-13.0 QD1 LEU 96 - QG2 ILE 32 far 0 30 0 - 6.8-11.2 QD1 LEU 96 - QG2 ILE 80 far 0 51 0 - 6.8-11.7 QD2 LEU 96 - QG2 ILE 80 far 0 87 0 - 7.2-10.9 QD2 LEU 43 - QG2 ILE 32 far 0 55 0 - 7.7-12.4 QD2 LEU 96 - QG2 ILE 32 far 0 55 0 - 7.8-12.9 QD2 LEU 103 - QG2 ILE 32 far 0 48 0 - 9.3-15.6 QD1 ILE 32 - QG2 ILE 80 far 0 62 0 - 9.4-18.2 Violated in 0 structures by 0.00 A. Peak 4141 from aliabs.peaks (1.74, 0.82, 16.85 ppm; 4.11 A): 2 out of 16 assignments used, quality = 1.00: * HG13 ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.0-3.1 3.2=100 HB ILE 80 + QG2 ILE 80 OK 83 83 100 100 2.1-2.1 2.1=100 HG3 ARG 90 - QG2 ILE 80 poor 19 85 25 88 3.5-8.6 3.0/11244=40...(17) HB2 LYS 26 - QG2 ILE 32 poor 16 55 40 73 2.1-13.0 6343/6353=12, ~10704=6...(33) HG3 ARG 90 - QG2 ILE 129 far 15 99 15 - 5.4-7.7 HB2 LYS 31 - QG2 ILE 32 poor 14 55 25 - 5.1-7.1 HG13 ILE 129 - QG2 ILE 80 far 9 88 10 - 5.5-9.9 HB2 LYS 24 - QG2 ILE 32 far 6 56 10 - 2.3-17.3 HB2 ARG 23 - QG2 ILE 32 far 5 53 10 - 5.0-17.3 HB2 LYS 39 - QG2 ILE 80 far 4 70 5 - 5.6-12.1 HB ILE 80 - QG2 ILE 129 far 0 98 0 - 5.6-7.4 HG LEU 100 - QG2 ILE 32 far 0 27 0 - 7.4-15.5 HB2 LYS 39 - QG2 ILE 129 far 0 87 0 - 7.4-10.4 HB2 LYS 19 - QG2 ILE 32 far 0 55 0 - 7.6-21.9 HG LEU 100 - QG2 ILE 129 far 0 60 0 - 8.9-12.5 HB2 LYS 39 - QG2 ILE 32 far 0 42 0 - 9.0-14.2 Violated in 0 structures by 0.00 A. Peak 4142 from aliabs.peaks (0.65, 0.82, 16.85 ppm; 2.84 A): 2 out of 13 assignments used, quality = 1.00: * QD1 ILE 129 + QG2 ILE 129 OK 100 100 100 100 2.3-3.2 4163=100, 10491/9946=31...(35) QD1 LEU 42 + QG2 ILE 129 OK 71 89 90 89 2.5-5.2 2.1/10486=51, 9083=23...(23) QD1 LEU 42 - QG2 ILE 80 far 4 72 5 - 3.7-8.5 QD1 LEU 42 - QG2 ILE 32 far 0 44 0 - 5.1-10.3 QD1 ILE 129 - QG2 ILE 80 far 0 88 0 - 5.6-9.8 QD1 LEU 43 - QG2 ILE 129 far 0 65 0 - 5.9-7.5 QD2 LEU 100 - QG2 ILE 32 far 0 28 0 - 6.2-12.8 QD1 LEU 43 - QG2 ILE 80 far 0 51 0 - 6.5-11.0 QD2 LEU 62 - QG2 ILE 32 far 0 31 0 - 7.9-11.9 QD1 LEU 43 - QG2 ILE 32 far 0 30 0 - 8.0-13.1 QD1 ILE 129 - QG2 ILE 32 far 0 56 0 - 8.4-12.1 QD2 LEU 100 - QG2 ILE 129 far 0 63 0 - 8.6-10.8 QD2 LEU 62 - QG2 ILE 129 far 0 68 0 - 9.2-11.1 Violated in 2 structures by 0.02 A. Peak 4143 from aliabs.peaks (8.03, 0.82, 16.85 ppm; 4.11 A): 1 out of 7 assignments used, quality = 1.00: * H SER 130 + QG2 ILE 129 OK 100 100 100 100 2.6-3.5 4.2=91, 7883/2.1=78...(26) H LEU 48 - QG2 ILE 32 far 0 48 0 - 6.4-13.7 H SER 130 - QG2 ILE 80 far 0 88 0 - 7.1-11.1 H CYS 125 - QG2 ILE 129 far 0 99 0 - 7.7-8.7 H LEU 48 - QG2 ILE 129 far 0 95 0 - 8.5-11.6 H SER 130 - QG2 ILE 32 far 0 56 0 - 9.9-14.8 H ALA 52 - QG2 ILE 32 far 0 52 0 - 10.0-17.2 Violated in 0 structures by 0.00 A. Peak 4144 from aliabs.peaks (8.00, 0.75, 30.23 ppm; 5.32 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.9-4.0 4.8=100 H SER 94 + HG12 ILE 129 OK 86 97 90 98 5.2-6.9 7282/11717=51, ~11710=51...(12) Violated in 0 structures by 0.00 A. Peak 4145 from aliabs.peaks (3.45, 0.75, 30.23 ppm; 4.92 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.2-3.2 3.7=100 HA VAL 126 + HG12 ILE 129 OK 85 85 100 100 3.2-4.9 10402/2.1=73...(25) HA VAL 77 - HG12 ILE 129 far 0 100 0 - 6.4-9.7 HA LEU 42 - HG12 ILE 129 far 0 92 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 4146 from aliabs.peaks (2.00, 0.75, 30.23 ppm; 5.09 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 GLU 91 - HG12 ILE 129 far 15 99 15 - 6.2-7.5 HG2 ARG 90 - HG12 ILE 129 far 0 83 0 - 7.3-9.5 HG2 PRO 81 - HG12 ILE 129 far 0 100 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 4147 from aliabs.peaks (0.82, 0.75, 30.23 ppm; 4.41 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.9-3.2 3.2=100 QG1 VAL 133 + HG12 ILE 129 OK 63 92 70 98 5.0-6.4 11768/1.8=78...(18) QG2 ILE 80 - HG12 ILE 129 far 0 98 0 - 6.0-10.2 QD1 LEU 70 - HG12 ILE 129 far 0 96 0 - 6.6-9.7 QD1 LEU 122 - HG12 ILE 129 far 0 87 0 - 6.6-10.8 QD2 LEU 49 - HG12 ILE 129 far 0 65 0 - 6.9-9.4 HG13 ILE 80 - HG12 ILE 129 far 0 96 0 - 7.2-11.2 Violated in 0 structures by 0.00 A. Peak 4148 from aliabs.peaks (0.75, 0.75, 30.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 129 + HG12 ILE 129 OK 100 100 - 100 Peak 4149 from aliabs.peaks (1.74, 0.75, 30.23 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 129 + HG12 ILE 129 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 90 - HG12 ILE 129 far 0 99 0 - 6.8-8.9 HB ILE 80 - HG12 ILE 129 far 0 98 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 4150 from aliabs.peaks (0.65, 0.75, 30.23 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 129 + HG12 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 42 - HG12 ILE 129 far 4 89 5 - 5.3-9.1 QD2 LEU 100 - HG12 ILE 129 far 0 63 0 - 9.3-12.2 QD1 LEU 43 - HG12 ILE 129 far 0 65 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 4151 from aliabs.peaks (8.03, 0.75, 30.23 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H SER 130 + HG12 ILE 129 OK 100 100 100 100 4.0-5.1 7883/2.9=100...(14) H CYS 125 + HG12 ILE 129 OK 84 99 85 100 6.1-8.4 ~10469=80, ~10379=75...(9) Violated in 0 structures by 0.00 A. Peak 4152 from aliabs.peaks (8.00, 1.74, 30.23 ppm; 5.59 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.1-4.1 4.8=100 H SER 94 + HG13 ILE 129 OK 95 97 100 98 5.3-6.7 9220/11317=58, ~11710=56...(9) Violated in 0 structures by 0.00 A. Peak 4153 from aliabs.peaks (3.45, 1.74, 30.23 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.3-3.5 3.7=100 HA VAL 126 + HG13 ILE 129 OK 85 85 100 100 3.8-4.9 10402/2.1=68...(26) HA VAL 77 - HG13 ILE 129 far 0 100 0 - 6.2-9.5 HA LEU 42 - HG13 ILE 129 far 0 92 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 4154 from aliabs.peaks (2.00, 1.74, 30.23 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.6-3.0 2.9=100 HB2 GLU 91 - HG13 ILE 129 far 0 99 0 - 6.1-7.7 HG2 ARG 90 - HG13 ILE 129 far 0 83 0 - 6.9-9.0 HG2 PRO 81 - HG13 ILE 129 far 0 100 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 4155 from aliabs.peaks (0.82, 1.74, 30.23 ppm; 4.34 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.0-3.1 3.2=100 QG1 VAL 133 + HG13 ILE 129 OK 87 92 95 99 4.5-6.4 11768=83, 4131/2.9=33...(23) QG2 ILE 80 - HG13 ILE 129 far 15 98 15 - 5.5-9.9 QD1 LEU 70 - HG13 ILE 129 far 0 96 0 - 6.3-9.5 HG13 ILE 80 - HG13 ILE 129 far 0 96 0 - 7.0-11.6 QD1 LEU 122 - HG13 ILE 129 far 0 87 0 - 7.3-10.3 QD2 LEU 49 - HG13 ILE 129 far 0 65 0 - 7.4-9.7 Violated in 0 structures by 0.00 A. Peak 4156 from aliabs.peaks (0.75, 1.74, 30.23 ppm; 4.15 A): 4 out of 7 assignments used, quality = 1.00: * HG12 ILE 129 + HG13 ILE 129 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 93 + HG13 ILE 129 OK 95 100 95 100 2.5-6.4 ~10487=56, ~10487=54...(33) QD2 LEU 96 + HG13 ILE 129 OK 79 100 80 99 2.1-5.8 11807/10406=28...(39) QD1 LEU 96 + HG13 ILE 129 OK 42 65 65 98 3.6-6.6 ~11354=25, ~11919=23...(37) QD2 LEU 43 - HG13 ILE 129 far 0 100 0 - 7.2-8.6 QD1 ILE 37 - HG13 ILE 129 far 0 78 0 - 8.5-12.5 QD1 ILE 32 - HG13 ILE 129 far 0 78 0 - 8.8-16.7 Violated in 0 structures by 0.00 A. Peak 4157 from aliabs.peaks (1.74, 1.74, 30.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 129 + HG13 ILE 129 OK 100 100 - 100 Peak 4158 from aliabs.peaks (0.65, 1.74, 30.23 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * QD1 ILE 129 + HG13 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 42 - HG13 ILE 129 far 4 89 5 - 5.2-8.5 QD2 LEU 100 - HG13 ILE 129 far 0 63 0 - 9.2-12.3 QD1 LEU 43 - HG13 ILE 129 far 0 65 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 4159 from aliabs.peaks (8.03, 1.74, 30.23 ppm; 5.96 A): 1 out of 2 assignments used, quality = 1.00: * H SER 130 + HG13 ILE 129 OK 100 100 100 100 4.1-5.1 7883/2.9=98, 4143/3.2=94...(17) H CYS 125 - HG13 ILE 129 far 15 99 15 - 6.4-8.5 Violated in 0 structures by 0.00 A. Peak 4160 from aliabs.peaks (8.00, 0.65, 14.48 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 129 + QD1 ILE 129 OK 100 100 100 100 1.7-3.4 7873=100, 7872/2.1=70...(25) H SER 94 + QD1 ILE 129 OK 97 97 100 100 4.3-5.4 3.6/10461=57...(17) Violated in 0 structures by 0.00 A. Peak 4161 from aliabs.peaks (3.45, 0.65, 14.48 ppm; 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.9-3.9 4123=65, 3.2/4163=62...(30) HA VAL 126 + QD1 ILE 129 OK 84 85 100 100 1.6-2.4 10402=58, 3.2/11692=40...(28) HA VAL 77 - QD1 ILE 129 far 0 100 0 - 6.6-8.9 HA LEU 42 - QD1 ILE 129 far 0 92 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 4162 from aliabs.peaks (2.00, 0.65, 14.48 ppm; 3.49 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.0-2.3 3.2=100 HB2 GLU 91 - QD1 ILE 129 far 0 99 0 - 6.0-7.3 HG2 ARG 90 - QD1 ILE 129 far 0 83 0 - 6.7-8.9 HB3 LEU 53 - QD1 ILE 129 far 0 98 0 - 9.1-11.4 HG2 PRO 81 - QD1 ILE 129 far 0 100 0 - 9.2-12.4 HB3 GLU 30 - QD1 ILE 129 far 0 99 0 - 9.4-19.5 Violated in 0 structures by 0.00 A. Peak 4163 from aliabs.peaks (0.82, 0.65, 14.48 ppm; 2.79 A): 1 out of 8 assignments used, quality = 0.99: * QG2 ILE 129 + QD1 ILE 129 OK 99 100 100 99 2.3-3.2 3.0=79, 9946/10491=30...(35) QD1 LEU 70 - QD1 ILE 129 poor 19 96 20 - 4.1-6.5 QD1 LEU 122 - QD1 ILE 129 far 0 87 0 - 4.4-7.3 QG1 VAL 133 - QD1 ILE 129 far 0 92 0 - 4.5-5.9 QD2 LEU 49 - QD1 ILE 129 far 0 65 0 - 4.7-6.6 QG2 ILE 80 - QD1 ILE 129 far 0 98 0 - 5.6-9.8 HG13 ILE 80 - QD1 ILE 129 far 0 96 0 - 7.5-11.0 QG2 ILE 32 - QD1 ILE 129 far 0 92 0 - 8.4-12.1 Violated in 3 structures by 0.04 A. Peak 4164 from aliabs.peaks (0.75, 0.65, 14.48 ppm; 2.93 A): 4 out of 8 assignments used, quality = 1.00: * HG12 ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 96 + QD1 ILE 129 OK 97 100 100 97 1.6-3.8 11806/10461=22...(53) QG1 VAL 93 + QD1 ILE 129 OK 94 100 95 99 1.9-5.1 2.1/10487=52...(43) QD1 LEU 96 + QD1 ILE 129 OK 59 65 100 91 1.6-4.0 4.6/9982=17...(46) QD2 LEU 43 - QD1 ILE 129 far 0 100 0 - 6.2-7.4 QD1 ILE 37 - QD1 ILE 129 far 0 78 0 - 6.8-11.1 QD1 ILE 32 - QD1 ILE 129 far 0 78 0 - 7.0-12.6 QD2 LEU 103 - QD1 ILE 129 far 0 95 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 4165 from aliabs.peaks (1.74, 0.65, 14.48 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HG13 ILE 129 + QD1 ILE 129 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 90 - QD1 ILE 129 far 0 99 0 - 6.4-8.0 HG LEU 100 - QD1 ILE 129 far 0 60 0 - 6.8-10.4 HB ILE 80 - QD1 ILE 129 far 0 98 0 - 8.2-10.6 Violated in 0 structures by 0.00 A. Peak 4166 from aliabs.peaks (0.65, 0.65, 14.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 129 + QD1 ILE 129 OK 100 100 - 100 Peak 4167 from aliabs.peaks (8.03, 0.65, 14.48 ppm; 4.19 A): 2 out of 3 assignments used, quality = 1.00: * H SER 130 + QD1 ILE 129 OK 100 100 100 100 3.4-4.4 4143/4163=65...(22) H CYS 125 + QD1 ILE 129 OK 97 99 100 97 4.9-5.5 2.9/10469=51...(14) H LEU 48 - QD1 ILE 129 far 0 95 0 - 9.3-11.4 Violated in 1 structures by 0.00 A. Peak 4168 from aliabs.peaks (8.03, 3.77, 61.77 ppm; 5.81 A): 1 out of 2 assignments used, quality = 1.00: * H SER 130 + HA SER 130 OK 100 100 100 100 2.7-2.8 2.9=100 H LEU 48 - HA SER 130 far 0 95 0 - 7.9-11.5 Violated in 0 structures by 0.00 A. Peak 4169 from aliabs.peaks (3.77, 3.77, 61.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 130 + HA SER 130 OK 100 100 - 100 Peak 4170 from aliabs.peaks (3.82, 3.77, 61.77 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 130 + HA SER 130 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 40 - HA SER 130 far 0 97 0 - 7.0-9.7 HB2 SER 50 - HA SER 130 far 0 100 0 - 7.3-11.5 HA ARG 90 - HA SER 130 far 0 81 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4171 from aliabs.peaks (3.77, 3.77, 61.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HA SER 130 + HA SER 130 OK 100 100 - 100 Reference assignment not found: HB3 SER 130 - HA SER 130 Peak 4172 from aliabs.peaks (8.27, 3.77, 61.77 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * H ASP 131 + HA SER 130 OK 100 100 100 100 3.4-3.5 3.6=100 H LEU 43 + HA SER 130 OK 92 92 100 100 4.6-6.4 4.4/11747=94...(21) H GLU 40 - HA SER 130 far 14 92 15 - 7.6-10.9 H VAL 126 - HA SER 130 far 0 99 0 - 8.6-9.5 H LEU 49 - HA SER 130 far 0 63 0 - 8.8-11.9 H LEU 69 - HA SER 130 far 0 68 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 4173 from aliabs.peaks (8.14, 3.77, 61.77 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 133 + HA SER 130 OK 100 100 100 100 3.3-3.7 7935/11861=87...(24) Violated in 0 structures by 0.00 A. Peak 4174 from aliabs.peaks (2.19, 3.77, 61.77 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 133 + HA SER 130 OK 100 100 100 100 4.0-4.6 2.1/11861=87...(24) HB2 PRO 81 - HA SER 130 far 0 93 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 4175 from aliabs.peaks (3.97, 3.82, 62.38 ppm; 3.29 A): 3 out of 11 assignments used, quality = 0.98: * HA GLN 127 + HB2 SER 130 OK 90 100 100 90 2.8-3.8 4181/1.8=60...(17) HA SER 50 + HB2 SER 50 OK 58 58 100 100 2.2-2.6 3.0=100 HA GLN 127 + HB2 SER 50 OK 48 98 75 66 2.7-6.4 4037=17, 3.0/1870=11...(18) HB2 SER 51 - HB2 SER 50 far 0 64 0 - 5.4-7.2 HB3 SER 51 - HB2 SER 50 far 0 90 0 - 5.5-6.9 HA SER 50 - HB2 SER 130 far 0 63 0 - 6.9-10.1 HB2 SER 124 - HB2 SER 50 far 0 76 0 - 8.2-11.2 HB2 SER 51 - HB2 SER 130 far 0 68 0 - 8.9-14.3 HA2 GLY 17 - HB2 SER 50 far 0 84 0 - 9.1-35.4 HB3 SER 51 - HB2 SER 130 far 0 95 0 - 9.6-13.1 HA THR 65 - HB2 SER 50 far 0 98 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 4177 from aliabs.peaks (3.77, 3.82, 62.38 ppm; 4.74 A): 3 out of 7 assignments used, quality = 1.00: HB3 SER 130 + HB2 SER 130 OK 100 100 100 100 1.8-1.8 1.8=100 * HA SER 130 + HB2 SER 130 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 43 + HB2 SER 130 OK 99 100 100 99 3.1-4.3 3.9/11720=69...(18) HB3 SER 130 - HB2 SER 50 poor 19 98 45 44 4.4-8.7 10508/11718=23...(4) HA LEU 43 - HB2 SER 50 far 0 97 0 - 6.7-9.9 HA SER 130 - HB2 SER 50 far 0 98 0 - 7.3-11.5 HA VAL 133 - HB2 SER 130 far 0 100 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 4178 from aliabs.peaks (3.82, 3.82, 62.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 130 + HB2 SER 130 OK 100 100 - 100 HB2 SER 50 + HB2 SER 50 OK 97 97 - 100 Peak 4179 from aliabs.peaks (3.77, 3.82, 62.38 ppm; 2.70 A): 3 out of 7 assignments used, quality = 1.00: * HB3 SER 130 + HB2 SER 130 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 130 + HB2 SER 130 OK 90 100 100 90 2.5-3.0 3.0=71, 2.9/7889=29...(11) HA LEU 43 + HB2 SER 130 OK 59 100 95 62 3.1-4.3 3.9/11720=22...(16) HB3 SER 130 - HB2 SER 50 far 0 98 0 - 4.4-8.7 HA LEU 43 - HB2 SER 50 far 0 97 0 - 6.7-9.9 HA SER 130 - HB2 SER 50 far 0 98 0 - 7.3-11.5 HA VAL 133 - HB2 SER 130 far 0 100 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 4181 from aliabs.peaks (3.97, 3.77, 62.38 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.90: * HA GLN 127 + HB3 SER 130 OK 90 100 100 90 3.3-4.2 4175/1.8=41, 4038=40...(13) HA SER 50 - HB3 SER 130 far 0 63 0 - 6.6-10.3 HB3 SER 51 - HB3 SER 130 far 0 95 0 - 9.1-13.2 HB2 SER 51 - HB3 SER 130 far 0 68 0 - 9.4-14.0 Violated in 12 structures by 0.18 A. Peak 4182 from aliabs.peaks (8.03, 3.77, 62.38 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: * H SER 130 + HB3 SER 130 OK 100 100 100 100 2.4-3.5 3.9=100 H LEU 48 - HB3 SER 130 far 0 95 0 - 6.0-9.2 H CYS 125 - HB3 SER 130 far 0 99 0 - 9.7-10.7 H ALA 52 - HB3 SER 130 far 0 98 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 4183 from aliabs.peaks (3.77, 3.77, 62.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB3 SER 130 + HB3 SER 130 OK 100 100 - 100 Reference assignment not found: HA SER 130 - HB3 SER 130 Peak 4184 from aliabs.peaks (3.82, 3.77, 62.38 ppm; 2.84 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 130 + HB3 SER 130 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 50 - HB3 SER 130 far 0 100 0 - 4.4-8.7 HA GLU 40 - HB3 SER 130 far 0 97 0 - 7.0-10.6 Violated in 0 structures by 0.00 A. Peak 4185 from aliabs.peaks (3.77, 3.77, 62.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 130 + HB3 SER 130 OK 100 100 - 100 Peak 4186 from aliabs.peaks (8.27, 3.77, 62.38 ppm; 5.32 A): 2 out of 6 assignments used, quality = 1.00: * H ASP 131 + HB3 SER 130 OK 100 100 100 100 2.9-4.0 4.6=100 H LEU 43 + HB3 SER 130 OK 77 92 85 99 4.5-7.4 4.4/10509=72...(21) H LEU 49 - HB3 SER 130 far 3 63 5 - 6.5-9.9 H VAL 126 - HB3 SER 130 far 0 99 0 - 7.9-9.0 H GLU 40 - HB3 SER 130 far 0 92 0 - 8.5-12.3 H LEU 69 - HB3 SER 130 far 0 68 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 4187 from aliabs.peaks (8.27, 4.31, 56.71 ppm; 5.66 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 131 + HA ASP 131 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 43 - HA ASP 131 far 14 92 15 - 7.1-9.8 H GLU 40 - HA ASP 131 far 0 92 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 4188 from aliabs.peaks (4.31, 4.31, 56.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 131 + HA ASP 131 OK 100 100 - 100 Peak 4189 from aliabs.peaks (2.77, 4.31, 56.71 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HA ASP 131 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 CYS 73 - HA ASP 131 far 0 60 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 4190 from aliabs.peaks (2.86, 4.31, 56.71 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 131 + HA ASP 131 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ASP 47 - HA ASP 131 far 0 65 0 - 6.8-11.1 Violated in 0 structures by 0.00 A. Peak 4191 from aliabs.peaks (8.47, 4.31, 56.71 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + HA ASP 131 OK 100 100 100 100 3.5-3.5 3.6=100 H ASP 47 - HA ASP 131 far 0 92 0 - 7.6-10.1 Violated in 0 structures by 0.00 A. Peak 4193 from aliabs.peaks (2.02, 4.31, 56.71 ppm; 4.25 A): 2 out of 9 assignments used, quality = 0.99: * HB2 GLN 134 + HA ASP 131 OK 97 100 100 97 3.7-5.3 1.8/4194=75, 4266=55...(13) HG3 ARG 135 + HA ASP 131 OK 58 96 90 68 4.6-7.6 11783/4.9=39...(10) HB2 GLN 127 - HA ASP 131 far 0 63 0 - 6.4-8.5 HB ILE 129 - HA ASP 131 far 0 87 0 - 7.2-7.6 HG3 PRO 81 - HA ASP 131 far 0 60 0 - 7.6-11.9 HG2 PRO 81 - HA ASP 131 far 0 93 0 - 8.5-11.4 HB2 PRO 81 - HA ASP 131 far 0 48 0 - 9.4-13.6 HB3 GLU 40 - HA ASP 131 far 0 100 0 - 9.8-14.7 HB2 GLU 44 - HA ASP 131 far 0 100 0 - 9.8-12.3 Violated in 5 structures by 0.06 A. Peak 4194 from aliabs.peaks (2.33, 4.31, 56.71 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.96: * HB3 GLN 134 + HA ASP 131 OK 96 100 100 96 4.0-5.5 4276=60, 1.8/4266=57...(11) HG2 GLU 128 - HA ASP 131 far 0 96 0 - 6.8-8.3 HG2 GLN 127 - HA ASP 131 far 0 93 0 - 8.9-10.0 HG2 GLU 44 - HA ASP 131 far 0 95 0 - 9.6-13.1 Violated in 11 structures by 0.25 A. Peak 4195 from aliabs.peaks (4.19, 2.77, 40.78 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 128 + HB2 ASP 131 OK 100 100 100 100 2.7-3.8 4085=98, 4086/1.8=77...(18) HA ALA 34 - HB2 TYR 76 far 8 76 10 - 4.3-12.3 HB3 SER 38 - HB2 TYR 76 far 0 73 0 - 6.6-11.5 HB THR 18 - HB2 TYR 76 far 0 94 0 - 7.4-36.0 HA GLU 30 - HB2 TYR 76 far 0 73 0 - 7.6-22.8 HA ALA 88 - HB2 ASP 131 far 0 95 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 4196 from aliabs.peaks (8.27, 2.77, 40.78 ppm; 5.24 A): 1 out of 7 assignments used, quality = 1.00: * H ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.3-3.3 3.8=100 H LEU 43 - HB2 TYR 76 far 0 89 0 - 7.0-9.1 H GLU 40 - HB2 TYR 76 far 0 89 0 - 7.6-10.4 H LEU 43 - HB2 ASP 131 far 0 92 0 - 8.8-12.1 H VAL 126 - HB2 ASP 131 far 0 99 0 - 9.0-10.6 H ASP 131 - HB2 TYR 76 far 0 99 0 - 9.2-13.5 H LEU 69 - HB2 TYR 76 far 0 66 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 4197 from aliabs.peaks (4.31, 2.77, 40.78 ppm; 3.69 A): 3 out of 9 assignments used, quality = 1.00: * HA ASP 131 + HB2 ASP 131 OK 100 100 100 100 2.6-3.0 3.0=100 HA TYR 76 + HB2 TYR 76 OK 99 99 100 100 2.2-3.0 3.0=100 HA2 GLY 75 + HB2 TYR 76 OK 31 86 40 90 4.9-5.7 4.9=43, 3.5/7028=35...(17) HA SER 74 - HB2 TYR 76 far 0 80 0 - 5.6-8.0 HA THR 18 - HB2 TYR 76 far 0 63 0 - 6.9-34.3 HA ASP 47 - HB2 ASP 131 far 0 60 0 - 7.1-11.2 HA LYS 36 - HB2 TYR 76 far 0 71 0 - 7.3-14.2 HA PRO 81 - HB2 TYR 76 far 0 82 0 - 9.3-11.4 HA ALA 12 - HB2 TYR 76 far 0 73 0 - 9.7-39.2 Violated in 0 structures by 0.00 A. Peak 4198 from aliabs.peaks (2.77, 2.77, 40.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HB2 ASP 131 OK 100 100 - 100 HB2 TYR 76 + HB2 TYR 76 OK 99 99 - 100 Peak 4199 from aliabs.peaks (2.86, 2.77, 40.78 ppm; 2.86 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 131 + HB2 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 47 - HB2 ASP 131 far 0 65 0 - 7.8-12.8 Violated in 0 structures by 0.00 A. Peak 4200 from aliabs.peaks (8.47, 2.77, 40.78 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 132 + HB2 ASP 131 OK 100 100 100 100 2.9-3.8 7914=100, 7915/1.8=85...(23) H ASP 47 - HB2 ASP 131 far 0 92 0 - 8.0-11.6 H ALA 12 - HB2 TYR 76 far 0 76 0 - 8.7-40.3 H VAL 132 - HB2 TYR 76 far 0 99 0 - 8.8-12.9 H LEU 70 - HB2 TYR 76 far 0 97 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 4201 from aliabs.peaks (4.19, 2.86, 40.78 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HB3 ASP 131 OK 100 100 100 100 2.5-3.6 4086=100, 4195/1.8=75...(16) HA ALA 88 - HB3 ASP 131 far 0 95 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 4202 from aliabs.peaks (8.27, 2.86, 40.78 ppm; 5.89 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 131 + HB3 ASP 131 OK 100 100 100 100 2.1-2.9 3.8=100 H LEU 43 - HB3 ASP 131 far 0 92 0 - 8.3-11.6 H VAL 126 - HB3 ASP 131 far 0 99 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 4203 from aliabs.peaks (4.31, 2.86, 40.78 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 131 + HB3 ASP 131 OK 100 100 100 100 2.6-3.0 3.0=100 HA ASP 47 - HB3 ASP 131 far 0 60 0 - 7.1-10.7 Violated in 0 structures by 0.00 A. Peak 4204 from aliabs.peaks (2.77, 2.86, 40.78 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HB3 ASP 131 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 CYS 73 - HB3 ASP 131 far 0 60 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4205 from aliabs.peaks (2.86, 2.86, 40.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 131 + HB3 ASP 131 OK 100 100 - 100 Peak 4206 from aliabs.peaks (8.47, 2.86, 40.78 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + HB3 ASP 131 OK 100 100 100 100 2.8-3.8 7915=100, 7914/1.8=88...(25) H ASP 47 - HB3 ASP 131 far 0 92 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. Peak 4207 from aliabs.peaks (8.47, 3.50, 66.53 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 132 + HA VAL 132 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 4208 from aliabs.peaks (3.50, 3.50, 66.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + HA VAL 132 OK 100 100 - 100 Peak 4209 from aliabs.peaks (2.28, 3.50, 66.53 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 132 + HA VAL 132 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PRO 81 - HA VAL 132 far 0 33 0 - 6.6-10.8 Violated in 0 structures by 0.00 A. Peak 4210 from aliabs.peaks (1.13, 3.50, 66.53 ppm; 3.58 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 132 + HA VAL 132 OK 100 100 100 100 1.9-2.6 3.2=100 QG2 VAL 132 + HA VAL 132 OK 96 96 100 100 2.6-3.2 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 99 0 - 7.7-12.9 Violated in 0 structures by 0.00 A. Peak 4211 from aliabs.peaks (1.14, 3.50, 66.53 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 132 + HA VAL 132 OK 100 100 100 100 2.6-3.2 3.2=100 QG1 VAL 132 + HA VAL 132 OK 96 96 100 100 1.9-2.6 3.2=100 HG2 LYS 39 - HA VAL 132 far 0 100 0 - 7.7-12.9 HG3 LYS 39 - HA VAL 132 far 0 81 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 4212 from aliabs.peaks (8.14, 3.50, 66.53 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 133 + HA VAL 132 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 91 - HA VAL 132 far 0 85 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 4213 from aliabs.peaks (3.45, 2.28, 31.42 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 129 + HB VAL 132 OK 100 100 100 100 3.2-4.8 4126=100, 10477/2.1=90...(24) HA VAL 77 - HB VAL 132 far 0 100 0 - 6.5-9.9 HA VAL 126 - HB VAL 132 far 0 85 0 - 8.6-10.5 Violated in 2 structures by 0.00 A. Peak 4215 from aliabs.peaks (3.50, 2.28, 31.42 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + HB VAL 132 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4216 from aliabs.peaks (2.28, 2.28, 31.42 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB VAL 132 + HB VAL 132 OK 100 100 - 100 HB3 PRO 113 + HB3 PRO 113 OK 82 82 - 100 HB VAL 105 + HB VAL 105 OK 50 50 - 100 Peak 4217 from aliabs.peaks (1.13, 2.28, 31.42 ppm; 2.95 A): 2 out of 6 assignments used, quality = 1.00: * QG1 VAL 132 + HB VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 132 + HB VAL 132 OK 96 96 100 100 2.1-2.1 2.1=100 QG2 THR 115 - HB3 PRO 113 far 8 84 10 - 4.2-6.1 HB3 LEU 62 - HB3 PRO 113 far 4 72 5 - 4.4-11.7 HG2 LYS 39 - HB VAL 132 far 0 99 0 - 8.2-13.0 QG2 THR 115 - HB VAL 105 far 0 59 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 4218 from aliabs.peaks (1.14, 2.28, 31.42 ppm; 3.30 A): 2 out of 7 assignments used, quality = 1.00: * QG2 VAL 132 + HB VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 132 + HB VAL 132 OK 96 96 100 100 2.1-2.1 2.1=100 QG2 THR 115 - HB3 PRO 113 poor 15 77 20 - 4.2-6.1 HB3 LEU 62 - HB3 PRO 113 far 4 84 5 - 4.4-11.7 HG2 LYS 39 - HB VAL 132 far 0 100 0 - 8.2-13.0 QG2 THR 115 - HB VAL 105 far 0 53 0 - 9.7-15.3 HG3 LYS 39 - HB VAL 132 far 0 81 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 4220 from aliabs.peaks (8.47, 1.13, 22.78 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 132 + QG1 VAL 132 OK 100 100 100 100 2.0-3.7 4.0=100 H VAL 132 + QG2 VAL 132 OK 72 72 100 100 1.6-2.6 4.0=100 H ASP 47 - QG2 VAL 132 far 0 61 0 - 8.8-11.8 H ASP 47 - QG1 VAL 132 far 0 92 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 4221 from aliabs.peaks (3.50, 1.13, 22.78 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 132 + QG1 VAL 132 OK 100 100 100 100 1.9-2.6 3.2=100 HA VAL 132 + QG2 VAL 132 OK 72 72 100 100 2.6-3.2 3.2=100 HA LEU 42 - QG2 VAL 132 far 0 36 0 - 7.9-10.2 HA LEU 42 - QG1 VAL 132 far 0 60 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 4222 from aliabs.peaks (2.28, 1.13, 22.78 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 132 + QG1 VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 132 + QG2 VAL 132 OK 72 72 100 100 2.1-2.1 2.1=100 HB2 PRO 81 - QG1 VAL 132 far 0 33 0 - 7.1-10.4 Violated in 0 structures by 0.00 A. Peak 4223 from aliabs.peaks (1.13, 1.13, 22.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 132 + QG1 VAL 132 OK 100 100 - 100 QG2 VAL 132 + QG2 VAL 132 OK 65 65 - 100 Peak 4224 from aliabs.peaks (1.14, 1.13, 22.78 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: QG1 VAL 132 + QG1 VAL 132 OK 96 96 - 100 QG2 VAL 132 + QG2 VAL 132 OK 72 72 - 100 Reference assignment not found: QG2 VAL 132 - QG1 VAL 132 Peak 4225 from aliabs.peaks (8.14, 1.13, 22.78 ppm; 4.71 A): 3 out of 4 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 132 OK 100 100 100 100 3.5-4.2 4.2=100 H VAL 133 + QG2 VAL 132 OK 72 72 100 100 1.8-3.3 4.4=100 H GLU 91 + QG2 VAL 132 OK 31 55 65 87 5.8-7.2 4.0/11663=32...(13) H GLU 91 - QG1 VAL 132 far 4 85 5 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 4226 from aliabs.peaks (8.47, 1.14, 23.00 ppm; 3.25 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 132 + QG2 VAL 132 OK 100 100 100 100 1.6-2.6 7917/2.1=63, 4.0=52...(33) H VAL 132 + QG1 VAL 132 OK 72 72 100 100 2.0-3.7 7917/2.1=63, 4.0=54...(33) H ASP 47 - QG2 VAL 132 far 0 92 0 - 8.8-11.8 H ASP 47 - QG1 VAL 132 far 0 61 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 4227 from aliabs.peaks (3.50, 1.14, 23.00 ppm; 3.03 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 132 + QG2 VAL 132 OK 99 100 100 99 2.6-3.2 3.2=86, 3.0/4226=29...(25) HA VAL 132 + QG1 VAL 132 OK 72 72 100 99 1.9-2.6 3.2=85, 3.0/7919=22...(25) HA LEU 42 - QG2 VAL 132 far 0 60 0 - 7.9-10.2 HA LEU 42 - QG1 VAL 132 far 0 36 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 4228 from aliabs.peaks (2.28, 1.14, 23.00 ppm; 2.97 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 132 + QG2 VAL 132 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 132 + QG1 VAL 132 OK 72 72 100 100 2.1-2.1 2.1=100 HB2 PRO 81 - QG2 VAL 132 far 0 33 0 - 6.5-10.7 Violated in 0 structures by 0.00 A. Peak 4229 from aliabs.peaks (1.13, 1.14, 23.00 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 132 + QG2 VAL 132 OK 96 96 - 100 QG1 VAL 132 + QG1 VAL 132 OK 72 72 - 100 Reference assignment not found: QG1 VAL 132 - QG2 VAL 132 Peak 4230 from aliabs.peaks (1.14, 1.14, 23.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 132 + QG2 VAL 132 OK 100 100 - 100 QG1 VAL 132 + QG1 VAL 132 OK 65 65 - 100 Peak 4231 from aliabs.peaks (8.14, 1.14, 23.00 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 133 + QG2 VAL 132 OK 100 100 100 100 1.8-3.3 7929/2.1=75, 4.4=74...(38) H VAL 133 + QG1 VAL 132 OK 72 72 100 100 3.5-4.2 4.2=81, 7929/2.1=75...(34) H GLU 91 - QG2 VAL 132 far 0 85 0 - 5.8-7.2 H GLU 91 - QG1 VAL 132 far 0 55 0 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 4233 from aliabs.peaks (3.77, 3.77, 64.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 133 + HA VAL 133 OK 100 100 - 100 Peak 4234 from aliabs.peaks (2.19, 3.77, 64.98 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 133 + HA VAL 133 OK 100 100 100 100 2.2-2.3 3.0=100 HB2 PRO 81 + HA VAL 133 OK 46 93 60 82 3.9-7.4 ~11757=23, 4253/3.2=14...(20) HB2 GLN 82 - HA VAL 133 poor 17 87 20 - 5.0-10.1 Violated in 0 structures by 0.00 A. Peak 4235 from aliabs.peaks (0.84, 3.77, 64.98 ppm; 3.61 A): 4 out of 5 assignments used, quality = 1.00: * QG1 VAL 133 + HA VAL 133 OK 100 100 100 100 2.4-3.2 3.2=100 QG2 ILE 80 + HA VAL 133 OK 66 73 95 95 3.0-6.4 3.1/10590=37, ~10588=18...(40) HG13 ILE 80 + HA VAL 133 OK 44 65 70 96 2.6-7.5 2.1/10590=43, ~10588=27...(30) QG2 ILE 129 + HA VAL 133 OK 38 92 45 92 4.4-5.5 7934/3.0=27...(27) QD2 LEU 69 - HA VAL 133 far 0 65 0 - 7.7-12.4 Violated in 0 structures by 0.00 A. Peak 4236 from aliabs.peaks (1.04, 3.77, 64.98 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + HA VAL 133 OK 100 100 100 100 2.5-3.2 3.2=100 QG1 VAL 77 - HA VAL 133 far 0 95 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 4239 from aliabs.peaks (8.14, 2.19, 31.57 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 133 + HB VAL 133 OK 100 100 100 100 2.9-3.6 4.0=100 H GLU 91 - HB VAL 133 far 0 85 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 4240 from aliabs.peaks (3.77, 2.19, 31.57 ppm; 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 133 + HB VAL 133 OK 100 100 100 100 2.2-2.3 3.0=100 HA SER 130 + HB VAL 133 OK 99 100 100 99 4.0-4.6 11861/2.1=60...(22) HA LEU 43 - HB VAL 133 far 5 98 5 - 5.1-9.2 HB3 SER 130 - HB VAL 133 far 0 100 0 - 6.6-7.5 HA THR 83 - HB VAL 133 far 0 65 0 - 9.0-12.1 Violated in 0 structures by 0.00 A. Peak 4241 from aliabs.peaks (2.19, 2.19, 31.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 133 + HB VAL 133 OK 100 100 - 100 Peak 4242 from aliabs.peaks (0.84, 2.19, 31.57 ppm; 3.80 A): 4 out of 7 assignments used, quality = 1.00: * QG1 VAL 133 + HB VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 129 + HB VAL 133 OK 91 92 100 99 3.0-5.0 10486/9087=44...(31) QG2 ILE 80 + HB VAL 133 OK 54 73 75 99 2.6-7.3 ~10588=31, ~10588=29...(42) HG13 ILE 80 + HB VAL 133 OK 42 65 65 99 3.0-8.4 ~10588=42, ~10588=38...(39) QD2 LEU 69 - HB VAL 133 far 0 65 0 - 5.9-11.1 QD2 LEU 70 - HB VAL 133 far 0 87 0 - 9.2-13.6 QD1 LEU 70 - HB VAL 133 far 0 65 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 4243 from aliabs.peaks (1.04, 2.19, 31.57 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + HB VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 77 - HB VAL 133 far 0 95 0 - 7.3-9.5 Violated in 0 structures by 0.00 A. Peak 4245 from aliabs.peaks (8.14, 0.84, 22.12 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 133 + QG1 VAL 133 OK 100 100 100 100 1.7-2.1 4.0=100 H GLU 91 - QG1 VAL 133 far 0 85 0 - 8.1-9.5 H ASP 71 - QG1 VAL 133 far 0 99 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 4246 from aliabs.peaks (3.77, 0.84, 22.12 ppm; 3.28 A): 4 out of 5 assignments used, quality = 1.00: * HA VAL 133 + QG1 VAL 133 OK 100 100 100 100 2.4-3.2 3.2=100 HA SER 130 + QG1 VAL 133 OK 97 100 100 98 1.8-2.3 11747/11777=39...(28) HB3 SER 130 + QG1 VAL 133 OK 86 100 90 95 3.7-4.9 10509/11679=40...(25) HA LEU 43 + QG1 VAL 133 OK 66 98 70 95 3.2-6.7 3.9/11679=44...(16) HA THR 83 - QG1 VAL 133 far 0 65 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 4247 from aliabs.peaks (2.19, 0.84, 22.12 ppm; 3.50 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 133 + QG1 VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 PRO 81 - QG1 VAL 133 far 0 93 0 - 5.7-8.6 HB2 GLN 82 - QG1 VAL 133 far 0 87 0 - 6.1-10.8 HG2 GLU 91 - QG1 VAL 133 far 0 81 0 - 9.4-12.2 HG2 GLN 68 - QG1 VAL 133 far 0 68 0 - 9.8-14.0 HB3 GLN 68 - QG1 VAL 133 far 0 98 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 4248 from aliabs.peaks (0.84, 0.84, 22.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 133 + QG1 VAL 133 OK 100 100 - 100 Peak 4249 from aliabs.peaks (1.04, 0.84, 22.12 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 133 + QG1 VAL 133 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 77 - QG1 VAL 133 far 0 95 0 - 6.4-8.0 Violated in 0 structures by 0.00 A. Peak 4250 from aliabs.peaks (7.49, 0.84, 22.12 ppm; 6.21 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 134 + QG1 VAL 133 OK 100 100 100 100 1.9-3.7 4.3=100 H LEU 42 + QG1 VAL 133 OK 100 100 100 100 4.8-7.4 6490/10585=89, ~10566=80...(11) Violated in 0 structures by 0.00 A. Peak 4251 from aliabs.peaks (8.14, 1.04, 23.71 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 133 + QG2 VAL 133 OK 100 100 100 100 2.4-3.7 7935=100, 7933/2.1=65...(28) Violated in 11 structures by 0.10 A. Peak 4252 from aliabs.peaks (3.77, 1.04, 23.71 ppm; 3.02 A): 4 out of 5 assignments used, quality = 1.00: * HA VAL 133 + QG2 VAL 133 OK 99 100 100 99 2.5-3.2 3.2=84, 3.0/7935=44...(22) HA SER 130 + QG2 VAL 133 OK 93 100 100 93 1.9-4.2 11747/11776=31, 11861=31...(25) HA LEU 43 + QG2 VAL 133 OK 39 98 45 88 3.0-6.1 1345/11776=34...(18) HB3 SER 130 + QG2 VAL 133 OK 27 100 30 90 4.0-6.3 10509/11678=32...(23) HA THR 83 - QG2 VAL 133 far 0 65 0 - 8.3-11.9 Violated in 0 structures by 0.00 A. Peak 4253 from aliabs.peaks (2.19, 1.04, 23.71 ppm; 3.28 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 133 + QG2 VAL 133 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 PRO 81 + QG2 VAL 133 OK 26 93 35 79 3.5-8.1 3.0/11757=34...(18) HB2 GLN 82 - QG2 VAL 133 far 0 87 0 - 5.6-11.1 Violated in 0 structures by 0.00 A. Peak 4254 from aliabs.peaks (0.84, 1.04, 23.71 ppm; 2.73 A): 3 out of 8 assignments used, quality = 1.00: * QG1 VAL 133 + QG2 VAL 133 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 129 + QG2 VAL 133 OK 26 92 30 94 3.8-5.1 10486/10587=29, 10482=21...(32) HG13 ILE 80 + QG2 VAL 133 OK 20 65 35 88 3.4-8.9 2.1/10588=35, ~10586=16...(31) QG2 ILE 80 - QG2 VAL 133 far 11 73 15 - 3.6-7.7 QD2 LEU 69 - QG2 VAL 133 far 0 65 0 - 4.8-8.9 QG2 ILE 32 - QG2 VAL 133 far 0 100 0 - 8.1-13.3 QD2 LEU 70 - QG2 VAL 133 far 0 87 0 - 8.4-11.7 QD1 LEU 70 - QG2 VAL 133 far 0 65 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 4255 from aliabs.peaks (1.04, 1.04, 23.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + QG2 VAL 133 OK 100 100 - 100 Peak 4256 from aliabs.peaks (7.49, 1.04, 23.71 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 134 + QG2 VAL 133 OK 100 100 100 100 1.8-3.4 4.4=100 H LEU 42 + QG2 VAL 133 OK 80 100 80 100 3.6-6.5 2.8/10566=76...(13) Violated in 0 structures by 0.00 A. Peak 4258 from aliabs.peaks (4.35, 4.35, 56.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 134 + HA GLN 134 OK 100 100 - 100 HA ASP 47 + HA ASP 47 OK 60 60 - 100 Peak 4259 from aliabs.peaks (2.02, 4.35, 56.69 ppm; 4.43 A): 3 out of 14 assignments used, quality = 1.00: * HB2 GLN 134 + HA GLN 134 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 135 + HA GLN 134 OK 84 96 95 92 5.1-6.4 4336/3.6=46, 7948/3.0=34...(14) HG3 PRO 81 + HA GLN 134 OK 21 60 85 41 4.2-9.5 10574/11761=13...(8) HB2 PRO 81 - HA GLN 134 poor 12 48 25 - 5.2-10.0 HG2 PRO 81 - HA GLN 134 lone 5 93 30 18 5.2-8.3 1.8/3711=9, ~7951=6, 7974/3.6=3 HB2 GLN 127 - HA ASP 47 far 4 38 10 - 5.0-8.3 HB3 GLU 40 - HA GLN 134 far 0 100 0 - 6.4-11.6 HB2 GLU 44 - HA ASP 47 far 0 72 0 - 7.2-8.2 HB3 LEU 53 - HA ASP 47 far 0 40 0 - 7.4-9.5 HB ILE 129 - HA ASP 47 far 0 56 0 - 7.7-11.1 HB2 GLN 134 - HA ASP 47 far 0 73 0 - 8.9-13.1 HB2 GLU 44 - HA GLN 134 far 0 100 0 - 9.3-11.8 HB VAL 20 - HA ASP 47 far 0 53 0 - 9.5-32.5 HB ILE 129 - HA GLN 134 far 0 87 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 4260 from aliabs.peaks (2.33, 4.35, 56.69 ppm; 4.09 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 GLN 127 - HA ASP 47 far 3 63 5 - 5.6-8.0 HG3 GLN 27 - HA ASP 47 far 3 58 5 - 4.7-26.4 HG2 GLN 27 - HA ASP 47 far 0 61 0 - 6.4-27.6 HG2 GLU 44 - HA ASP 47 far 0 64 0 - 6.7-9.4 HB3 GLN 134 - HA ASP 47 far 0 73 0 - 7.7-11.9 HG3 GLN 68 - HA ASP 47 far 0 67 0 - 9.6-15.1 HG2 GLU 44 - HA GLN 134 far 0 95 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 4261 from aliabs.peaks (2.65, 4.35, 56.69 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 134 + HA GLN 134 OK 100 100 100 100 3.5-4.1 4287=84, 1.8/4296=74...(19) HG2 GLN 134 - HA ASP 47 far 0 73 0 - 7.7-12.3 Violated in 8 structures by 0.06 A. Peak 4262 from aliabs.peaks (2.08, 4.35, 56.69 ppm; 4.27 A): 3 out of 10 assignments used, quality = 1.00: * HG3 GLN 134 + HA GLN 134 OK 100 100 100 100 2.8-4.1 4.1=100 HB3 LYS 39 + HA GLN 134 OK 32 100 45 71 3.6-9.8 ~10606=27, 9125/11899=16...(10) HG3 PRO 81 + HA GLN 134 OK 23 65 85 40 4.2-9.5 7977/3.6=9, 7951/3.0=9...(9) HB2 PRO 81 - HA GLN 134 far 13 88 15 - 5.2-10.0 HB2 GLN 127 - HA ASP 47 far 4 38 10 - 5.0-8.3 HB3 GLN 27 - HA ASP 47 far 3 64 5 - 5.5-27.4 HB3 GLU 44 - HA ASP 47 far 0 72 0 - 7.1-8.0 HG3 GLN 134 - HA ASP 47 far 0 73 0 - 7.4-10.8 HB3 GLN 82 - HA GLN 134 far 0 95 0 - 7.5-14.3 HB3 GLU 44 - HA GLN 134 far 0 100 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 4266 from aliabs.peaks (4.31, 2.02, 30.42 ppm; 5.19 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 131 + HB2 GLN 134 OK 100 100 100 100 3.7-5.3 4194/1.8=96, 7939/4.0=66...(14) HA ASP 47 - HB2 GLN 134 far 0 60 0 - 8.9-13.1 HA PRO 81 - HB2 GLN 134 far 0 85 0 - 9.2-13.7 Violated in 1 structures by 0.01 A. Peak 4268 from aliabs.peaks (4.35, 2.02, 30.42 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 47 - HB2 GLN 134 far 0 90 0 - 8.9-13.1 HA PRO 81 - HB2 GLN 134 far 0 68 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. Peak 4269 from aliabs.peaks (2.02, 2.02, 30.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 134 + HB2 GLN 134 OK 100 100 - 100 Peak 4270 from aliabs.peaks (2.33, 2.02, 30.42 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 134 + HB2 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 - HB2 GLN 134 far 0 95 0 - 9.2-13.5 Violated in 0 structures by 0.00 A. Peak 4271 from aliabs.peaks (2.65, 2.02, 30.42 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 4272 from aliabs.peaks (2.08, 2.02, 30.42 ppm; 4.74 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLN 134 + HB2 GLN 134 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 39 - HB2 GLN 134 far 5 100 5 - 5.9-11.9 HG3 PRO 81 - HB2 GLN 134 far 3 65 5 - 6.1-11.4 HB2 PRO 81 - HB2 GLN 134 far 0 88 0 - 7.1-12.1 HB3 GLN 82 - HB2 GLN 134 far 0 95 0 - 8.9-16.0 HB3 GLU 44 - HB2 GLN 134 far 0 100 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 4276 from aliabs.peaks (4.31, 2.33, 30.42 ppm; 5.19 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 131 + HB3 GLN 134 OK 100 100 100 100 4.0-5.5 4194=100, 4266/1.8=81...(11) HA ASP 47 - HB3 GLN 134 far 0 60 0 - 7.7-11.9 HA PRO 81 - HB3 GLN 134 far 0 85 0 - 9.4-13.6 Violated in 1 structures by 0.01 A. Peak 4278 from aliabs.peaks (4.35, 2.33, 30.42 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.3-2.5 3.0=100 HA ASP 47 - HB3 GLN 134 far 0 90 0 - 7.7-11.9 HA PRO 81 - HB3 GLN 134 far 0 68 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 4279 from aliabs.peaks (2.02, 2.33, 30.42 ppm; 3.52 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLN 134 + HB3 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 135 - HB3 GLN 134 far 0 96 0 - 5.2-8.2 HB3 GLU 40 - HB3 GLN 134 far 0 100 0 - 6.2-11.5 HG3 PRO 81 - HB3 GLN 134 far 0 60 0 - 6.3-11.4 HG2 PRO 81 - HB3 GLN 134 far 0 93 0 - 7.3-10.4 HB2 PRO 81 - HB3 GLN 134 far 0 48 0 - 7.3-12.1 HB2 GLU 44 - HB3 GLN 134 far 0 100 0 - 8.6-10.9 HB ILE 129 - HB3 GLN 134 far 0 87 0 - 8.7-11.2 HB2 GLN 127 - HB3 GLN 134 far 0 63 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 4280 from aliabs.peaks (2.33, 2.33, 30.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 134 + HB3 GLN 134 OK 100 100 - 100 Peak 4281 from aliabs.peaks (2.65, 2.33, 30.42 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 4282 from aliabs.peaks (2.08, 2.33, 30.42 ppm; 3.89 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HB3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 39 - HB3 GLN 134 far 5 100 5 - 4.6-10.7 HG3 PRO 81 - HB3 GLN 134 far 0 65 0 - 6.3-11.4 HB2 PRO 81 - HB3 GLN 134 far 0 88 0 - 7.3-12.1 HB3 GLU 44 - HB3 GLN 134 far 0 100 0 - 8.6-12.2 HB2 GLN 127 - HB3 GLN 134 far 0 63 0 - 9.3-13.0 HB3 GLN 82 - HB3 GLN 134 far 0 95 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 4287 from aliabs.peaks (4.35, 2.65, 35.98 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 134 + HG2 GLN 134 OK 100 100 100 100 3.5-4.1 4.1=100 HA ASP 47 - HG2 GLN 134 far 0 90 0 - 7.7-12.3 HA PRO 81 - HG2 GLN 134 far 0 68 0 - 8.9-14.3 Violated in 1 structures by 0.00 A. Peak 4288 from aliabs.peaks (2.02, 2.65, 35.98 ppm; 3.99 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 ARG 135 + HG2 GLN 134 OK 82 96 95 91 2.9-7.2 4297/1.8=31, 5.0/7976=30...(15) HG3 PRO 81 - HG2 GLN 134 far 3 60 5 - 5.2-11.6 HG2 PRO 81 - HG2 GLN 134 far 0 93 0 - 6.5-10.6 HB2 PRO 81 - HG2 GLN 134 far 0 48 0 - 6.7-12.6 HB2 GLN 127 - HG2 GLN 134 far 0 63 0 - 7.7-11.0 HB ILE 129 - HG2 GLN 134 far 0 87 0 - 8.1-8.8 HB3 GLU 40 - HG2 GLN 134 far 0 100 0 - 8.5-13.3 HB2 GLU 44 - HG2 GLN 134 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 4289 from aliabs.peaks (2.33, 2.65, 35.98 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 128 - HG2 GLN 134 far 0 96 0 - 8.8-10.2 HG2 GLU 44 - HG2 GLN 134 far 0 95 0 - 8.9-13.8 Violated in 0 structures by 0.00 A. Peak 4290 from aliabs.peaks (2.65, 2.65, 35.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG2 GLN 134 OK 100 100 - 100 Peak 4291 from aliabs.peaks (2.08, 2.65, 35.98 ppm; 3.47 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLN 134 + HG2 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 81 - HG2 GLN 134 far 0 65 0 - 5.2-11.6 HB3 LYS 39 - HG2 GLN 134 far 0 100 0 - 5.9-12.3 HB2 PRO 81 - HG2 GLN 134 far 0 88 0 - 6.7-12.6 HB2 GLN 127 - HG2 GLN 134 far 0 63 0 - 7.7-11.0 HB2 GLU 128 - HG2 GLN 134 far 0 100 0 - 8.6-9.9 HB3 GLU 44 - HG2 GLN 134 far 0 100 0 - 9.5-13.6 HB3 GLN 82 - HG2 GLN 134 far 0 95 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 4296 from aliabs.peaks (4.35, 2.08, 35.98 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.8-4.1 4.1=95, 4261/1.8=80...(18) HA ASP 47 - HG3 GLN 134 far 0 90 0 - 7.4-10.8 HA PRO 81 - HG3 GLN 134 far 0 68 0 - 9.0-14.3 HA CYS 73 - HG3 GLN 134 far 0 73 0 - 9.4-12.8 Violated in 6 structures by 0.01 A. Peak 4297 from aliabs.peaks (2.02, 2.08, 35.98 ppm; 4.74 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 ARG 135 + HG3 GLN 134 OK 88 96 95 97 2.8-8.3 4288/1.8=42, 4336/4.9=38...(16) HG3 PRO 81 - HG3 GLN 134 poor 15 60 25 - 5.0-11.8 HG2 PRO 81 - HG3 GLN 134 far 5 93 5 - 6.2-11.1 HB2 PRO 81 - HG3 GLN 134 far 0 48 0 - 6.9-13.1 HB3 GLU 40 - HG3 GLN 134 far 0 100 0 - 7.1-14.1 HB2 GLN 127 - HG3 GLN 134 far 0 63 0 - 7.8-11.5 HB ILE 129 - HG3 GLN 134 far 0 87 0 - 8.0-9.9 HB2 GLU 44 - HG3 GLN 134 far 0 100 0 - 8.2-12.0 Violated in 0 structures by 0.00 A. Peak 4298 from aliabs.peaks (2.33, 2.08, 35.98 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 134 + HG3 GLN 134 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 44 - HG3 GLN 134 far 0 95 0 - 8.6-13.6 HG2 GLU 128 - HG3 GLN 134 far 0 96 0 - 8.9-11.1 HG3 GLN 27 - HG3 GLN 134 far 0 89 0 - 9.8-28.5 Violated in 0 structures by 0.00 A. Peak 4299 from aliabs.peaks (2.65, 2.08, 35.98 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG3 GLN 134 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4300 from aliabs.peaks (2.08, 2.08, 35.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 134 + HG3 GLN 134 OK 100 100 - 100 Peak 4305 from aliabs.peaks (4.02, 4.02, 58.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HA ARG 135 OK 100 100 - 100 HA GLN 68 + HA GLN 68 OK 64 64 - 100 Peak 4306 from aliabs.peaks (1.89, 4.02, 58.76 ppm; 3.66 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 36 - HA GLN 68 far 0 74 0 - 5.4-13.7 HB3 ARG 84 - HA ARG 135 far 0 92 0 - 7.7-12.4 HB3 LEU 49 - HA GLN 68 far 0 44 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 4307 from aliabs.peaks (1.82, 4.02, 58.76 ppm; 3.71 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 32 - HA GLN 68 poor 13 73 30 60 3.5-9.0 10764/2290=19...(10) HB3 LYS 24 - HA GLN 68 far 0 75 0 - 5.5-20.8 HB2 LYS 36 - HA GLN 68 far 0 75 0 - 5.9-13.1 HB3 ARG 23 - HA GLN 68 far 0 75 0 - 6.1-20.9 HB3 LYS 31 - HA GLN 68 far 0 73 0 - 6.1-15.0 HB2 ARG 84 - HA ARG 135 far 0 98 0 - 7.2-13.6 HB3 LEU 122 - HA GLN 68 far 0 40 0 - 8.2-13.7 HB2 LEU 100 - HA GLN 68 far 0 75 0 - 8.6-10.3 HB3 LYS 26 - HA GLN 68 far 0 75 0 - 9.2-18.7 HB2 LYS 86 - HA ARG 135 far 0 73 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 4308 from aliabs.peaks (1.70, 4.02, 58.76 ppm; 3.62 A): 1 out of 7 assignments used, quality = 1.00: * HG2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.6-4.2 4329=93, 7983/3.0=61...(17) HB2 LEU 70 - HA GLN 68 far 4 75 5 - 5.0-7.5 HB3 LEU 70 - HA GLN 68 far 3 67 5 - 4.9-7.4 HD2 LYS 39 - HA ARG 135 far 0 76 0 - 6.3-14.3 HD3 LYS 39 - HA ARG 135 far 0 96 0 - 6.8-14.7 HB2 LEU 43 - HA ARG 135 far 0 100 0 - 8.2-12.1 HG LEU 48 - HA GLN 68 far 0 68 0 - 9.3-13.9 Violated in 4 structures by 0.05 A. Peak 4309 from aliabs.peaks (2.03, 4.02, 58.76 ppm; 3.56 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.7-3.6 1.8/4308=80, 4.2=63...(15) HB2 GLN 134 + HA ARG 135 OK 68 96 100 71 3.9-4.7 ~7975=28, 7984/3.0=25...(9) HG3 PRO 81 - HA ARG 135 far 13 89 15 - 4.3-9.3 HG2 PRO 81 - HA ARG 135 far 3 68 5 - 4.8-8.4 HB2 PRO 81 - HA ARG 135 far 0 58 0 - 5.1-10.5 HB3 GLU 30 - HA GLN 68 far 0 52 0 - 6.5-15.5 HB VAL 63 - HA GLN 68 far 0 69 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 4310 from aliabs.peaks (2.92, 4.02, 58.76 ppm; 4.39 A): 1 out of 7 assignments used, quality = 1.00: * HD2 ARG 135 + HA ARG 135 OK 100 100 100 100 2.0-4.9 4345=100, 3.0/4308=82...(19) HE3 LYS 39 - HA ARG 135 far 15 100 15 - 4.8-13.3 HE3 LYS 31 - HA GLN 68 poor 8 42 20 - 5.0-15.1 HE2 LYS 39 - HA ARG 135 far 5 100 5 - 5.1-11.9 HB2 CYS 45 - HA GLN 68 far 0 71 0 - 6.9-8.9 HE3 LYS 24 - HA GLN 68 far 0 54 0 - 8.7-23.2 HE2 LYS 24 - HA GLN 68 far 0 42 0 - 9.0-21.9 Violated in 12 structures by 0.27 A. Peak 4311 from aliabs.peaks (3.23, 4.02, 58.76 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 135 + HA ARG 135 OK 100 100 100 100 2.6-5.1 4353=100, 3.0/4308=85...(18) HB3 HIS 4 - HA ARG 135 far 5 100 5 - 3.0-75.5 HB2 HIS 5 - HA ARG 135 far 0 100 0 - 7.7-69.7 Violated in 11 structures by 0.17 A. Peak 4313 from aliabs.peaks (4.02, 1.89, 30.87 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 PRO 81 - HB2 ARG 135 far 0 85 0 - 5.7-9.2 Violated in 0 structures by 0.00 A. Peak 4314 from aliabs.peaks (1.89, 1.89, 30.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 135 + HB2 ARG 135 OK 100 100 - 100 Peak 4315 from aliabs.peaks (1.82, 1.89, 30.87 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 84 - HB2 ARG 135 far 5 98 5 - 4.9-11.3 HB2 LYS 86 - HB2 ARG 135 far 0 73 0 - 7.6-12.8 Violated in 0 structures by 0.00 A. Peak 4316 from aliabs.peaks (1.70, 1.89, 30.87 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 39 - HB2 ARG 135 far 0 76 0 - 7.2-15.7 HD3 LYS 39 - HB2 ARG 135 far 0 96 0 - 7.6-15.9 HB2 LEU 43 - HB2 ARG 135 far 0 100 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 4317 from aliabs.peaks (2.03, 1.89, 30.87 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 PRO 81 - HB2 ARG 135 poor 10 89 35 33 3.9-7.8 4336/7981=10, 4325/1.8=7...(11) HB2 PRO 81 - HB2 ARG 135 far 9 58 15 - 4.9-9.4 HG2 PRO 81 - HB2 ARG 135 poor 8 68 40 29 3.5-7.2 4325/1.8=6, ~4325=5...(11) HB2 GLN 134 - HB2 ARG 135 far 5 96 5 - 5.4-6.8 Violated in 0 structures by 0.00 A. Peak 4318 from aliabs.peaks (2.92, 1.89, 30.87 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.4-4.0 3.7=100 HE3 LYS 39 - HB2 ARG 135 far 0 100 0 - 6.3-14.0 HE2 LYS 39 - HB2 ARG 135 far 0 100 0 - 6.9-13.3 Violated in 0 structures by 0.00 A. Peak 4319 from aliabs.peaks (3.23, 1.89, 30.87 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HB2 ARG 135 OK 100 100 100 100 2.1-3.8 3.7=100 HB3 HIS 4 - HB2 ARG 135 far 5 100 5 - 5.5-74.3 HB2 HIS 5 - HB2 ARG 135 far 0 100 0 - 8.1-68.7 HB2 PHE 87 - HB2 ARG 135 far 0 99 0 - 9.2-14.5 HB3 PHE 87 - HB2 ARG 135 far 0 100 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 4321 from aliabs.peaks (4.02, 1.82, 30.87 ppm; 3.99 A): 1 out of 13 assignments used, quality = 1.00: * HA ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 PRO 81 - HB3 ARG 135 poor 17 85 20 - 4.1-10.2 HA VAL 20 - HB3 ARG 23 poor 15 51 30 - 3.8-10.9 HB2 SER 38 - HB3 ARG 23 far 0 77 0 - 6.1-32.2 HA GLN 68 - HB3 ARG 23 far 0 75 0 - 6.1-20.9 HA SER 60 - HB3 ARG 23 far 0 84 0 - 7.0-27.0 HA LYS 95 - HB VAL 93 far 0 51 0 - 7.4-8.2 HA ILE 37 - HB3 ARG 23 far 0 87 0 - 8.1-27.7 HA LEU 122 - HB VAL 93 far 0 35 0 - 8.7-11.1 HA SER 50 - HB3 ARG 23 far 0 64 0 - 8.9-28.3 HA LEU 103 - HB3 ARG 23 far 0 87 0 - 9.4-34.3 HA ILE 37 - HB VAL 93 far 0 53 0 - 9.9-18.0 HB3 SER 99 - HB VAL 93 far 0 38 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 4322 from aliabs.peaks (1.89, 1.82, 30.87 ppm; 3.46 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 90 + HB VAL 93 OK 28 32 90 96 4.1-6.0 3.0/2793=45, ~11411=34...(16) HB3 LYS 36 - HB3 ARG 23 far 0 86 0 - 5.1-25.6 HB3 ARG 84 - HB3 ARG 135 far 0 92 0 - 5.3-9.7 HB3 LEU 48 - HB3 ARG 23 far 0 86 0 - 7.4-29.1 HB2 GLU 40 - HB3 ARG 23 far 0 82 0 - 7.8-34.6 Violated in 0 structures by 0.00 A. Peak 4323 from aliabs.peaks (1.82, 1.82, 30.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HB3 ARG 135 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 87 87 - 100 HB VAL 93 + HB VAL 93 OK 49 49 - 100 Peak 4324 from aliabs.peaks (1.70, 1.82, 30.87 ppm; 5.23 A): 1 out of 9 assignments used, quality = 1.00: * HG2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LEU 70 - HB VAL 93 far 5 52 10 - 5.5-9.8 HB3 LEU 70 - HB VAL 93 far 2 46 5 - 6.3-9.6 HG LEU 98 - HB3 ARG 23 far 0 84 0 - 7.1-34.9 HD3 LYS 39 - HB3 ARG 135 far 0 96 0 - 7.2-14.5 HG LEU 48 - HB3 ARG 23 far 0 79 0 - 7.3-27.0 HD2 LYS 39 - HB3 ARG 135 far 0 76 0 - 7.9-14.5 HG LEU 98 - HB VAL 93 far 0 50 0 - 8.0-10.7 HB2 LEU 43 - HB3 ARG 135 far 0 100 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 4325 from aliabs.peaks (2.03, 1.82, 30.87 ppm; 3.83 A): 1 out of 16 assignments used, quality = 1.00: * HG3 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 PRO 81 - HB3 ARG 135 poor 17 58 30 - 3.8-9.7 HG3 PRO 81 - HB3 ARG 135 poor 11 89 35 36 2.3-8.3 4336/7982=9, 4339=7...(12) HG2 PRO 81 - HB3 ARG 135 poor 9 68 50 28 2.0-7.9 1.8/4339=6, 4317/1.8=5...(9) HG2 ARG 90 - HB VAL 93 far 5 49 10 - 5.0-7.6 HB3 GLU 30 - HB3 ARG 23 far 3 62 5 - 3.7-17.6 HB2 GLN 134 - HB3 ARG 135 far 0 96 0 - 5.4-6.5 HB3 GLU 55 - HB3 ARG 23 far 0 83 0 - 5.9-34.0 HB3 GLU 91 - HB VAL 93 far 0 53 0 - 6.7-9.0 HG2 PRO 58 - HB3 ARG 23 far 0 85 0 - 7.2-29.0 HB3 GLU 30 - HB VAL 93 far 0 35 0 - 7.3-25.7 HB VAL 63 - HB3 ARG 23 far 0 81 0 - 8.3-26.9 HB2 GLU 44 - HB3 ARG 23 far 0 83 0 - 8.4-30.4 HB3 GLU 40 - HB3 ARG 23 far 0 81 0 - 8.7-35.4 HG2 PRO 56 - HB3 ARG 23 far 0 55 0 - 9.1-35.0 HG3 PRO 56 - HB3 ARG 23 far 0 62 0 - 9.9-36.2 Violated in 0 structures by 0.00 A. Peak 4326 from aliabs.peaks (2.92, 1.82, 30.87 ppm; 4.24 A): 1 out of 9 assignments used, quality = 1.00: * HD2 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.4-3.8 3.7=100 HE3 LYS 39 - HB3 ARG 135 far 5 100 5 - 5.7-12.6 HE3 LYS 31 - HB3 ARG 23 far 3 51 5 - 5.4-20.0 HE2 LYS 39 - HB3 ARG 135 far 0 100 0 - 6.7-12.2 HE3 LYS 24 - HB3 ARG 23 far 0 64 0 - 7.0-10.6 HE2 LYS 24 - HB3 ARG 23 far 0 51 0 - 7.2-10.3 HE3 LYS 86 - HB VAL 93 far 0 25 0 - 8.2-12.3 HE3 LYS 86 - HB3 ARG 135 far 0 60 0 - 9.8-15.2 HB2 CYS 45 - HB3 ARG 23 far 0 83 0 - 9.9-26.1 Violated in 0 structures by 0.00 A. Peak 4327 from aliabs.peaks (3.23, 1.82, 30.87 ppm; 4.26 A): 2 out of 9 assignments used, quality = 1.00: * HD3 ARG 135 + HB3 ARG 135 OK 100 100 100 100 2.0-4.1 3.7=100 HA VAL 93 + HB VAL 93 OK 36 36 100 100 2.2-3.0 3.0=100 HB3 HIS 4 - HB3 ARG 135 far 5 100 5 - 4.8-76.0 HB3 HIS 10 - HB3 ARG 23 far 0 81 0 - 8.0-22.9 HB2 HIS 5 - HB3 ARG 135 far 0 100 0 - 8.0-70.3 HB2 PHE 87 - HB3 ARG 135 far 0 99 0 - 9.4-13.6 HB3 PHE 87 - HB3 ARG 135 far 0 100 0 - 9.6-13.0 HB2 PHE 87 - HB VAL 93 far 0 51 0 - 9.7-12.2 HB3 HIS 8 - HB3 ARG 23 far 0 62 0 - 9.9-29.3 Violated in 0 structures by 0.00 A. Peak 4329 from aliabs.peaks (4.02, 1.70, 27.30 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.6-4.2 4308=100, 3.0/7983=68...(17) HD3 PRO 81 - HG2 ARG 135 far 4 85 5 - 5.0-10.5 Violated in 1 structures by 0.02 A. Peak 4330 from aliabs.peaks (1.89, 1.70, 27.30 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ARG 84 - HG2 ARG 135 far 0 92 0 - 6.1-11.6 Violated in 0 structures by 0.00 A. Peak 4331 from aliabs.peaks (1.82, 1.70, 27.30 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 84 - HG2 ARG 135 far 5 98 5 - 4.5-12.5 HB2 LYS 86 - HG2 ARG 135 far 0 73 0 - 7.7-13.4 Violated in 0 structures by 0.00 A. Peak 4332 from aliabs.peaks (1.70, 1.70, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 135 + HG2 ARG 135 OK 100 100 - 100 Peak 4333 from aliabs.peaks (2.03, 1.70, 27.30 ppm; 3.45 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 134 + HG2 ARG 135 OK 21 96 25 87 3.4-7.7 4.4/7983=36...(19) HG3 PRO 81 - HG2 ARG 135 far 4 89 5 - 3.9-9.2 HG2 PRO 81 - HG2 ARG 135 far 3 68 5 - 3.6-8.7 HB2 PRO 81 - HG2 ARG 135 far 0 58 0 - 5.9-11.0 Violated in 0 structures by 0.00 A. Peak 4334 from aliabs.peaks (2.92, 1.70, 27.30 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 39 - HG2 ARG 135 far 0 100 0 - 6.4-14.5 HE2 LYS 39 - HG2 ARG 135 far 0 100 0 - 6.8-13.4 Violated in 0 structures by 0.00 A. Peak 4335 from aliabs.peaks (3.23, 1.70, 27.30 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HG2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 HIS 4 - HG2 ARG 135 far 5 100 5 - 3.6-75.6 HB2 PHE 87 - HG2 ARG 135 far 0 99 0 - 8.8-14.7 HB3 PHE 87 - HG2 ARG 135 far 0 100 0 - 9.2-13.5 HB2 HIS 5 - HG2 ARG 135 far 0 100 0 - 9.7-69.9 Violated in 0 structures by 0.00 A. Peak 4337 from aliabs.peaks (4.02, 2.03, 27.30 ppm; 3.88 A): 2 out of 16 assignments used, quality = 1.00: * HA ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.7-3.6 4308/1.8=89, 4.2=81...(16) HD3 PRO 81 + HG3 PRO 81 OK 52 52 100 100 2.3-3.0 2.3=100 HA ARG 135 - HG3 PRO 81 poor 14 70 20 - 4.3-9.3 HB3 SER 99 - HG2 PRO 117 far 2 44 5 - 4.4-9.1 HB3 SER 99 - HG3 PRO 117 far 0 44 0 - 5.6-10.5 HA LEU 103 - HG2 PRO 117 far 0 61 0 - 6.1-12.5 HD3 PRO 81 - HG3 ARG 135 far 0 85 0 - 6.1-9.6 HA LEU 103 - HG3 PRO 117 far 0 61 0 - 6.5-13.9 HA LEU 119 - HG2 PRO 117 far 0 58 0 - 7.4-9.3 HA LEU 119 - HG3 PRO 117 far 0 58 0 - 7.7-9.8 HB2 SER 38 - HG3 PRO 81 far 0 60 0 - 8.1-15.3 HA LEU 122 - HG2 PRO 117 far 0 41 0 - 8.5-11.3 HA LEU 122 - HG3 PRO 117 far 0 41 0 - 8.8-11.7 HA LYS 95 - HG2 PRO 117 far 0 59 0 - 8.9-14.9 HB3 SER 124 - HG2 PRO 117 far 0 60 0 - 9.6-11.8 HB3 SER 124 - HG3 PRO 117 far 0 60 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 4338 from aliabs.peaks (1.89, 2.03, 27.30 ppm; 3.15 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 135 - HG3 PRO 81 far 7 70 10 - 3.9-7.8 HB3 ARG 84 - HG3 PRO 81 far 0 58 0 - 5.5-10.8 HB3 LEU 119 - HG2 PRO 117 far 0 50 0 - 6.4-8.7 HB3 LEU 119 - HG3 PRO 117 far 0 50 0 - 6.9-9.3 HB2 PRO 113 - HG2 PRO 117 far 0 43 0 - 7.1-12.9 HB3 ARG 84 - HG3 ARG 135 far 0 92 0 - 7.1-10.7 HB2 PRO 113 - HG3 PRO 117 far 0 43 0 - 7.9-13.0 HB2 GLU 40 - HG3 PRO 81 far 0 64 0 - 9.1-16.6 HB3 LEU 123 - HG2 PRO 117 far 0 58 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 4339 from aliabs.peaks (1.82, 2.03, 27.30 ppm; 3.64 A): 1 out of 15 assignments used, quality = 1.00: * HB3 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 135 - HG3 PRO 81 poor 8 70 30 37 2.3-8.3 7982/4336=8, 4325=8...(11) HB2 ARG 84 - HG3 PRO 81 far 0 65 0 - 5.8-11.1 HB2 ARG 84 - HG3 ARG 135 far 0 98 0 - 6.0-11.8 HB3 LEU 103 - HG2 PRO 117 far 0 36 0 - 6.1-13.6 HB2 LYS 86 - HG3 PRO 81 far 0 44 0 - 6.4-9.0 HB3 LEU 103 - HG3 PRO 117 far 0 36 0 - 7.2-15.1 HB3 LYS 24 - HG2 PRO 117 far 0 61 0 - 7.7-35.4 HB3 LEU 122 - HG2 PRO 117 far 0 31 0 - 7.7-12.3 HB2 CYS 79 - HG3 PRO 81 far 0 62 0 - 7.9-9.9 HB2 LYS 86 - HG3 ARG 135 far 0 73 0 - 8.0-11.9 HB3 LEU 122 - HG3 PRO 117 far 0 31 0 - 8.2-12.6 HB2 LEU 100 - HG2 PRO 117 far 0 61 0 - 8.8-13.6 HB3 LYS 24 - HG3 PRO 117 far 0 61 0 - 9.1-36.7 HB2 LEU 100 - HG3 PRO 117 far 0 61 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 4340 from aliabs.peaks (1.70, 2.03, 27.30 ppm; 3.33 A): 1 out of 10 assignments used, quality = 1.00: * HG2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 39 - HG3 PRO 81 poor 16 62 25 - 2.1-10.9 HD2 LYS 39 - HG3 PRO 81 far 5 45 10 - 3.6-11.1 HG2 ARG 135 - HG3 PRO 81 far 3 70 5 - 3.9-9.2 HD3 LYS 39 - HG3 ARG 135 far 0 96 0 - 7.2-14.6 HD2 LYS 39 - HG3 ARG 135 far 0 76 0 - 7.5-14.5 HB2 LEU 43 - HG3 PRO 81 far 0 69 0 - 7.7-16.2 HB2 LEU 43 - HG3 ARG 135 far 0 100 0 - 8.2-11.3 HG LEU 98 - HG2 PRO 117 far 0 58 0 - 8.8-15.1 HG LEU 98 - HG3 PRO 117 far 0 58 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 4341 from aliabs.peaks (2.03, 2.03, 27.30 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 ARG 135 + HG3 ARG 135 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 55 55 - 100 HG3 PRO 117 + HG3 PRO 117 OK 46 46 - 100 HG2 PRO 117 + HG2 PRO 117 OK 46 46 - 100 Peak 4342 from aliabs.peaks (2.92, 2.03, 27.30 ppm; 3.93 A): 3 out of 13 assignments used, quality = 1.00: * HD2 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 116 + HG2 PRO 117 OK 21 59 35 100 3.6-6.9 10215/2.3=48, ~10240=38...(33) HE3 LYS 39 + HG3 PRO 81 OK 20 69 50 58 2.0-11.0 10239/2.3=11, ~1166=7...(18) HB3 ASN 116 - HG3 PRO 117 poor 18 59 30 - 4.4-6.8 HE2 LYS 39 - HG3 PRO 81 poor 15 69 35 61 2.3-12.0 ~10239=8, ~1166=7...(19) HD2 ARG 135 - HG3 PRO 81 far 3 70 5 - 4.8-9.9 HE3 LYS 24 - HG2 PRO 117 far 2 43 5 - 5.3-39.0 HE3 LYS 39 - HG3 ARG 135 far 0 100 0 - 6.0-13.3 HE3 LYS 86 - HG3 PRO 81 far 0 35 0 - 6.2-10.7 HE2 LYS 24 - HG2 PRO 117 far 0 33 0 - 6.3-37.7 HE3 LYS 24 - HG3 PRO 117 far 0 43 0 - 6.6-40.6 HE2 LYS 39 - HG3 ARG 135 far 0 100 0 - 6.8-12.3 HE2 LYS 24 - HG3 PRO 117 far 0 33 0 - 7.4-39.2 Violated in 0 structures by 0.00 A. Peak 4343 from aliabs.peaks (3.23, 2.03, 27.30 ppm; 4.10 A): 1 out of 10 assignments used, quality = 1.00: * HD3 ARG 135 + HG3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 135 - HG3 PRO 81 poor 14 70 20 - 5.0-10.0 HB3 HIS 4 - HG3 ARG 135 far 5 100 5 - 4.2-73.9 HB2 HIS 5 - HG3 PRO 81 far 0 69 0 - 7.6-64.4 HB3 HIS 4 - HG3 PRO 81 far 0 69 0 - 8.1-70.0 HB3 PHE 87 - HG3 PRO 81 far 0 70 0 - 9.3-13.0 HB2 PHE 87 - HG3 ARG 135 far 0 99 0 - 9.5-13.6 HB2 HIS 5 - HG3 ARG 135 far 0 100 0 - 9.9-68.2 HB2 PHE 87 - HG3 PRO 81 far 0 67 0 - 9.9-12.9 HB3 PHE 87 - HG3 ARG 135 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 4345 from aliabs.peaks (4.02, 2.92, 44.19 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.0-4.9 4310=96, 4308/3.0=80...(19) HD3 PRO 81 - HD2 ARG 135 far 0 85 0 - 6.7-11.7 Violated in 12 structures by 0.31 A. Peak 4346 from aliabs.peaks (1.89, 2.92, 44.19 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.4-4.0 3.7=100 HB3 ARG 84 - HD2 ARG 135 far 0 92 0 - 5.4-10.2 Violated in 1 structures by 0.01 A. Peak 4347 from aliabs.peaks (1.82, 2.92, 44.19 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.4-3.8 3.7=100 HB2 ARG 84 - HD2 ARG 135 far 0 98 0 - 5.9-10.9 HB2 LYS 86 - HD2 ARG 135 far 0 73 0 - 7.9-12.6 Violated in 7 structures by 0.02 A. Peak 4348 from aliabs.peaks (1.70, 2.92, 44.19 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 43 - HD2 ARG 135 far 0 100 0 - 8.7-14.0 HD2 LYS 39 - HD2 ARG 135 far 0 76 0 - 9.0-16.8 HD3 LYS 39 - HD2 ARG 135 far 0 96 0 - 9.4-16.9 Violated in 0 structures by 0.00 A. Peak 4349 from aliabs.peaks (2.03, 2.92, 44.19 ppm; 3.79 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 PRO 81 - HD2 ARG 135 far 10 68 15 - 4.5-9.3 HB2 GLN 134 - HD2 ARG 135 far 10 96 10 - 4.5-7.9 HG3 PRO 81 - HD2 ARG 135 far 4 89 5 - 4.8-9.9 HB2 PRO 81 - HD2 ARG 135 far 0 58 0 - 5.8-11.6 Violated in 0 structures by 0.00 A. Peak 4350 from aliabs.peaks (2.92, 2.92, 44.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 135 + HD2 ARG 135 OK 100 100 - 100 Peak 4351 from aliabs.peaks (3.23, 2.92, 44.19 ppm; 2.94 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 135 + HD2 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 4 - HD2 ARG 135 far 0 100 0 - 5.8-75.3 HB3 PHE 87 - HD2 ARG 135 far 0 100 0 - 8.1-13.8 HB2 PHE 87 - HD2 ARG 135 far 0 99 0 - 8.5-13.5 Violated in 0 structures by 0.00 A. Peak 4353 from aliabs.peaks (4.02, 3.23, 44.19 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.6-5.1 4311=88, 4308/3.0=81...(18) HD3 PRO 81 - HD3 ARG 135 far 0 85 0 - 6.7-11.7 Violated in 12 structures by 0.28 A. Peak 4354 from aliabs.peaks (1.89, 3.23, 44.19 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.1-3.8 3.7=100 HB3 ARG 84 - HD3 ARG 135 far 5 92 5 - 4.5-9.9 Violated in 0 structures by 0.00 A. Peak 4355 from aliabs.peaks (1.82, 3.23, 44.19 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.0-4.1 3.7=100 HB2 ARG 84 - HD3 ARG 135 far 0 98 0 - 5.3-10.4 HB2 LYS 86 - HD3 ARG 135 far 0 73 0 - 7.1-12.2 Violated in 3 structures by 0.02 A. Peak 4356 from aliabs.peaks (1.70, 3.23, 44.19 ppm; 3.66 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 - HD3 ARG 135 far 0 76 0 - 9.0-16.1 HD3 LYS 39 - HD3 ARG 135 far 0 96 0 - 9.3-16.2 HB2 LEU 43 - HD3 ARG 135 far 0 100 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 4357 from aliabs.peaks (2.03, 3.23, 44.19 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 135 + HD3 ARG 135 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 PRO 81 - HD3 ARG 135 far 9 89 10 - 5.0-10.0 HB2 GLN 134 - HD3 ARG 135 far 5 96 5 - 3.2-8.2 HG2 PRO 81 - HD3 ARG 135 poor 4 68 30 21 4.0-9.1 1.8/10147=6, 4325/3.7=4...(7) HB2 PRO 81 - HD3 ARG 135 far 0 58 0 - 5.4-11.6 Violated in 0 structures by 0.00 A. Peak 4358 from aliabs.peaks (2.92, 3.23, 44.19 ppm; 2.96 A): 1 out of 4 assignments used, quality = 1.00: * HD2 ARG 135 + HD3 ARG 135 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 39 - HD3 ARG 135 far 0 100 0 - 6.9-14.7 HE2 LYS 39 - HD3 ARG 135 far 0 100 0 - 7.4-14.3 HE3 LYS 86 - HD3 ARG 135 far 0 60 0 - 9.0-15.0 Violated in 0 structures by 0.00 A. Peak 4359 from aliabs.peaks (3.23, 3.23, 44.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 135 + HD3 ARG 135 OK 100 100 - 100 Peak 5501 from aliabs.peaks (4.21, 7.16, 118.77 ppm; 6.15 A): 1 out of 5 assignments used, quality = 1.00: * HA HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.1-4.7 4.7=100 HA GLU 30 - HD2 HIS 67 poor 20 99 20 - 4.7-14.9 HA ALA 34 - HD2 HIS 67 far 5 99 5 - 6.3-18.6 HA ALA 29 - HD2 HIS 67 lone 1 83 30 4 5.5-14.7 10737/10747=2 HA SER 99 - HD2 HIS 67 far 0 89 0 - 9.2-14.3 Violated in 0 structures by 0.00 A. Peak 5502 from aliabs.peaks (3.34, 7.16, 118.77 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.8-4.0 4.0=100 HA VAL 63 + HD2 HIS 67 OK 83 83 100 100 4.3-7.9 3.2/9406=97...(11) HB3 TYR 72 - HD2 HIS 67 far 5 100 5 - 8.3-13.9 Violated in 0 structures by 0.00 A. Peak 5503 from aliabs.peaks (3.41, 7.16, 118.77 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + HD2 HIS 67 OK 100 100 100 100 2.7-4.0 4.0=100 HA VAL 126 - HD2 HIS 67 far 0 63 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 5504 from aliabs.peaks (7.16, 7.16, 118.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 67 + HD2 HIS 67 OK 100 100 - 100 Peak 5508 from aliabs.peaks (4.54, 7.14, 131.84 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 72 + QD TYR 72 OK 100 100 100 100 1.9-3.5 3.4=100 HA SER 38 - QD TYR 72 far 5 100 5 - 3.6-8.7 Violated in 0 structures by 0.00 A. Peak 5509 from aliabs.peaks (3.02, 7.14, 131.84 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + QD TYR 72 OK 100 100 100 100 2.3-2.8 2.7=100 Violated in 0 structures by 0.00 A. Peak 5510 from aliabs.peaks (3.34, 7.14, 131.84 ppm; 4.63 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TYR 72 + QD TYR 72 OK 100 100 100 100 2.3-2.8 2.7=100 HB2 HIS 67 - QD TYR 72 far 0 100 0 - 7.7-9.6 HB3 PHE 89 - QD TYR 72 far 0 100 0 - 8.3-12.4 HB2 PHE 89 - QD TYR 72 far 0 76 0 - 8.3-12.2 Violated in 0 structures by 0.00 A. Peak 5511 from aliabs.peaks (7.14, 7.14, 131.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 72 + QD TYR 72 OK 100 100 - 100 Peak 5512 from aliabs.peaks (6.80, 7.14, 131.84 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 72 + QD TYR 72 OK 100 100 100 100 2.2-2.2 2.2=100 HE21 GLN 68 - QD TYR 72 far 10 96 10 - 2.5-7.4 HE21 GLN 127 - QD TYR 72 far 0 87 0 - 7.5-15.2 Violated in 0 structures by 0.00 A. Peak 5513 from aliabs.peaks (7.14, 6.80, 117.87 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + QE TYR 72 OK 100 100 100 100 2.2-2.2 2.2=100 HD2 HIS 67 - QE TYR 72 far 0 68 0 - 5.5-10.7 Violated in 0 structures by 0.00 A. Peak 5514 from aliabs.peaks (6.80, 6.80, 117.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 72 + QE TYR 72 OK 100 100 - 100 Peak 5516 from aliabs.peaks (2.76, 6.50, 133.03 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HB2 TYR 76 + QD TYR 76 OK 100 100 100 100 2.3-2.8 2.6=100 HB2 CYS 73 + QD TYR 76 OK 71 71 100 100 4.1-7.4 3.0/11126=88, ~11160=68...(18) Violated in 0 structures by 0.00 A. Peak 5517 from aliabs.peaks (3.13, 6.50, 133.03 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 76 + QD TYR 76 OK 100 100 100 100 2.3-2.7 2.6=100 HB3 CYS 45 - QD TYR 76 far 5 90 5 - 8.0-12.0 HD3 ARG 90 - QD TYR 76 far 3 57 5 - 7.8-11.3 Violated in 0 structures by 0.00 A. Peak 5518 from aliabs.peaks (6.50, 6.50, 133.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + QD TYR 76 OK 100 100 - 100 Peak 5519 from aliabs.peaks (6.48, 6.50, 133.03 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: QD TYR 76 + QD TYR 76 OK 71 71 - 100 Reference assignment not found: QE TYR 76 - QD TYR 76 Peak 5520 from aliabs.peaks (6.50, 6.48, 116.85 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: QE TYR 76 + QE TYR 76 OK 71 71 - 100 Reference assignment not found: QD TYR 76 - QE TYR 76 Peak 5521 from aliabs.peaks (6.48, 6.48, 116.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 76 + QE TYR 76 OK 100 100 - 100 Peak 5522 from aliabs.peaks (4.27, 7.32, 131.40 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-3.0 3.7=100 HA ARG 84 + QD PHE 87 OK 64 73 100 88 2.2-5.8 9782/9776=34...(13) Violated in 0 structures by 0.00 A. Peak 5523 from aliabs.peaks (3.23, 7.32, 131.40 ppm; 4.56 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 HB3 PHE 87 + QD PHE 87 OK 99 99 100 100 2.3-2.7 2.5=100 HD3 ARG 135 - QD PHE 87 far 0 99 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 5524 from aliabs.peaks (3.23, 7.32, 131.40 ppm; 4.56 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 87 + QD PHE 87 OK 100 100 100 100 2.3-2.7 2.5=100 HB2 PHE 87 + QD PHE 87 OK 99 99 100 100 2.3-2.7 2.5=100 HD3 ARG 135 - QD PHE 87 far 0 100 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 5525 from aliabs.peaks (7.32, 7.32, 131.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 87 + QD PHE 87 OK 100 100 - 100 Peak 5526 from aliabs.peaks (7.27, 7.32, 131.40 ppm; 2.56 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 87 + QD PHE 87 OK 100 100 100 100 2.2-2.2 2.2=100 H ASN 85 - QD PHE 87 far 0 98 0 - 5.3-7.5 Violated in 0 structures by 0.00 A. Peak 5528 from aliabs.peaks (7.32, 7.27, 130.01 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 87 + QE PHE 87 OK 100 100 100 100 2.2-2.2 2.2=100 HE ARG 90 - QE PHE 87 far 4 81 5 - 5.1-9.1 Violated in 0 structures by 0.00 A. Peak 5529 from aliabs.peaks (7.27, 7.27, 130.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 87 + QE PHE 87 OK 100 100 - 100 Peak 5534 from aliabs.peaks (4.08, 7.07, 131.13 ppm; 5.76 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 89 + QD PHE 89 OK 100 100 100 100 2.9-3.3 3.1=100 HB3 SER 74 - QD PHE 89 poor 14 68 20 - 6.3-8.4 HA CYS 79 - QD PHE 89 far 0 83 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 5535 from aliabs.peaks (3.32, 7.07, 131.13 ppm; 6.37 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PHE 89 + QD PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 HB3 CYS 73 + QD PHE 89 OK 99 99 100 100 3.7-6.1 ~11145=76, ~11124=71...(16) HB3 PHE 89 + QD PHE 89 OK 81 81 100 100 2.3-2.7 2.7=100 HB3 TYR 72 - QD PHE 89 far 4 76 5 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 5536 from aliabs.peaks (3.34, 7.07, 131.13 ppm; 5.97 A): 3 out of 4 assignments used, quality = 1.00: * HB3 PHE 89 + QD PHE 89 OK 100 100 100 100 2.3-2.7 2.7=100 HB2 PHE 89 + QD PHE 89 OK 81 81 100 100 2.3-2.7 2.7=100 HB3 CYS 73 + QD PHE 89 OK 59 60 100 99 3.7-6.1 ~11145=69, ~11124=64...(16) HB3 TYR 72 - QD PHE 89 far 0 100 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 5537 from aliabs.peaks (7.07, 7.07, 131.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + QD PHE 89 OK 100 100 - 100 Peak 5538 from aliabs.peaks (7.41, 7.07, 131.13 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + QD PHE 89 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5539 from aliabs.peaks (7.30, 7.07, 131.13 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HZ PHE 89 + QD PHE 89 OK 100 100 100 100 3.8-3.8 3.8=100 H ASN 85 - QD PHE 89 far 0 78 0 - 6.2-7.4 QD PHE 87 - QD PHE 89 far 0 96 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 5540 from aliabs.peaks (7.07, 7.41, 131.12 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + QE PHE 89 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5541 from aliabs.peaks (7.41, 7.41, 131.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + QE PHE 89 OK 100 100 - 100 Peak 5542 from aliabs.peaks (7.30, 7.41, 131.12 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HZ PHE 89 + QE PHE 89 OK 100 100 100 100 2.2-2.2 2.2=100 H ASN 85 - QE PHE 89 far 0 78 0 - 8.1-9.4 QD PHE 87 - QE PHE 89 far 0 96 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 9002 from aliabs.peaks (0.61, 0.93, 17.29 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.64: QD1 LEU 42 + QG2 ILE 37 OK 64 68 95 99 2.3-6.2 4.1/10826=52...(29) QD1 LEU 100 - QG2 ILE 37 far 0 98 0 - 6.5-12.1 Violated in 10 structures by 0.39 A. Peak 9003 from aliabs.peaks (4.21, 1.97, 37.79 ppm; 3.96 A): 2 out of 4 assignments used, quality = 0.98: HA ALA 34 + HB ILE 37 OK 90 100 90 100 2.7-5.5 10789=100, 9004/2.1=72...(15) HB3 SER 38 + HB ILE 37 OK 79 100 80 99 3.6-6.4 3.9/6422=49, 9050/2.1=38...(28) HA HIS 67 - HB ILE 37 far 0 100 0 - 8.4-16.0 HA ALA 29 - HB ILE 37 far 0 92 0 - 9.7-14.8 Violated in 12 structures by 0.20 A. Peak 9004 from aliabs.peaks (4.22, 0.93, 17.29 ppm; 3.75 A): 1 out of 6 assignments used, quality = 0.99: HA ALA 34 + QG2 ILE 37 OK 99 99 100 100 1.7-4.9 10789/2.1=68, 10791=68...(16) HB3 SER 38 - QG2 ILE 37 poor 20 99 20 - 4.5-6.1 HA HIS 67 - QG2 ILE 37 far 0 93 0 - 6.3-12.0 HA ALA 29 - QG2 ILE 37 far 0 99 0 - 7.5-11.9 HA GLN 27 - QG2 ILE 37 far 0 68 0 - 8.5-16.5 HA GLU 30 - QG2 ILE 37 far 0 99 0 - 8.6-14.0 Violated in 15 structures by 0.59 A. Peak 9005 from aliabs.peaks (4.21, 1.27, 27.60 ppm; 4.65 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 34 + HG12 ILE 37 OK 100 100 100 100 1.8-4.2 10871=99, 10873/2.1=93...(17) HB3 SER 38 + HG12 ILE 37 OK 99 99 100 100 4.4-6.1 3.9/6424=54...(24) HB THR 18 - HG12 ILE 37 far 3 63 5 - 5.5-33.9 HA ALA 29 - HG12 ILE 37 far 0 87 0 - 7.7-12.9 HA HIS 67 - HG12 ILE 37 far 0 100 0 - 9.4-15.6 HA GLU 30 - HG12 ILE 37 far 0 99 0 - 9.5-14.6 Violated in 0 structures by 0.00 A. Peak 9006 from aliabs.peaks (4.21, 1.55, 27.60 ppm; 4.51 A): 1 out of 5 assignments used, quality = 1.00: HA ALA 34 + HG13 ILE 37 OK 100 100 100 100 1.9-3.9 10790=99, 10873/2.1=91...(17) HB3 SER 38 - HG13 ILE 37 far 15 99 15 - 4.5-7.0 HB THR 18 - HG13 ILE 37 far 3 63 5 - 4.5-34.1 HA ALA 29 - HG13 ILE 37 far 0 87 0 - 7.5-14.5 HA HIS 67 - HG13 ILE 37 far 0 100 0 - 7.9-16.1 Violated in 0 structures by 0.00 A. Peak 9007 from aliabs.peaks (4.23, 0.77, 12.40 ppm; 3.99 A): 4 out of 15 assignments used, quality = 1.00: HA ALA 29 + QD1 ILE 32 OK 99 99 100 100 1.6-4.3 10737=88, 10734/3.2=67...(18) HA ALA 34 + QD1 ILE 37 OK 58 58 100 100 1.9-5.1 10873=77, 9004/1094=62...(19) HA GLU 30 + QD1 ILE 32 OK 50 87 60 96 1.7-7.0 ~10769=31, 4.9/10739=28...(18) HB3 SER 38 + QD1 ILE 37 OK 20 60 35 98 3.5-6.6 3.9/6426=43...(23) HA ALA 28 - QD1 ILE 32 poor 20 97 35 59 4.2-7.1 10780=16, 3.6/934=16...(10) HA GLN 27 - QD1 ILE 32 poor 16 93 35 49 2.2-8.9 ~10726=9, 10750/2.1=9...(11) HA HIS 67 - QD1 ILE 32 poor 14 68 20 - 4.0-9.6 HA ALA 34 - QD1 ILE 32 far 4 85 5 - 5.3-8.7 HA ALA 29 - QD1 ILE 37 far 4 74 5 - 5.1-11.6 HA HIS 67 - QD1 ILE 37 far 0 45 0 - 6.4-11.5 HA SER 94 - QD1 ILE 32 far 0 100 0 - 7.3-17.0 HA GLN 27 - QD1 ILE 37 far 0 66 0 - 7.4-14.9 HB3 SER 38 - QD1 ILE 32 far 0 87 0 - 7.6-13.4 HA GLU 30 - QD1 ILE 37 far 0 60 0 - 7.8-13.2 HA ALA 28 - QD1 ILE 37 far 0 70 0 - 9.0-15.1 Violated in 0 structures by 0.00 A. Peak 9008 from aliabs.peaks (2.97, 0.77, 12.40 ppm; 4.39 A): 8 out of 18 assignments used, quality = 1.00: HE2 LYS 36 + QD1 ILE 32 OK 76 98 80 97 2.0-8.0 1.8/10804=19, 10813=19...(90) HE3 LYS 36 + QD1 ILE 32 OK 71 98 75 97 1.9-8.5 10757/930=22, 10804=20...(89) HE2 LYS 26 + QD1 ILE 32 OK 47 97 55 87 3.4-14.6 3.6/10704=13...(51) HE2 LYS 31 + QD1 ILE 32 OK 45 97 55 85 2.3-9.3 10804=13, 7.1/10802=9...(48) HE2 LYS 36 + QD1 ILE 37 OK 44 72 65 94 1.9-8.1 10705/1094=41...(14) HE3 LYS 26 + QD1 ILE 32 OK 43 99 50 86 3.3-14.4 3.6/10704=13...(48) HE3 LYS 31 + QD1 ILE 32 OK 39 90 50 86 2.2-9.8 1.8/10804=12, 10813=10...(55) HE3 LYS 36 + QD1 ILE 37 OK 30 72 45 93 3.3-7.8 10705/1094=33...(14) HE3 LYS 26 - QD1 ILE 37 far 4 74 5 - 5.8-21.2 HE2 LYS 26 - QD1 ILE 37 far 4 71 5 - 5.7-21.2 HE2 LYS 31 - QD1 ILE 37 far 0 71 0 - 6.0-15.0 HE2 LYS 24 - QD1 ILE 32 far 0 90 0 - 6.7-15.0 HE3 LYS 31 - QD1 ILE 37 far 0 63 0 - 6.8-14.2 HE3 LYS 24 - QD1 ILE 32 far 0 78 0 - 6.8-15.9 HE2 LYS 24 - QD1 ILE 37 far 0 63 0 - 8.1-22.6 HE3 LYS 19 - QD1 ILE 32 far 0 95 0 - 8.7-22.9 HE3 LYS 24 - QD1 ILE 37 far 0 52 0 - 8.8-23.3 HE2 LYS 19 - QD1 ILE 32 far 0 95 0 - 9.1-23.1 Violated in 0 structures by 0.00 A. Peak 9009 from aliabs.peaks (2.31, 0.77, 12.40 ppm; 4.29 A): 2 out of 14 assignments used, quality = 0.88: HG3 GLN 68 + QD1 ILE 32 OK 71 99 80 89 1.8-10.1 11018/2.1=44...(20) HG3 GLU 30 + QD1 ILE 32 OK 61 100 65 94 4.0-7.2 ~10769=36, ~10845=25...(17) HG2 GLU 44 - QD1 ILE 32 poor 20 100 20 - 2.6-15.3 HG3 GLN 68 - QD1 ILE 37 poor 16 74 40 54 2.9-9.1 9549/9025=26...(10) HG2 GLU 40 - QD1 ILE 37 far 3 52 5 - 5.4-11.1 HB VAL 77 - QD1 ILE 32 far 0 63 0 - 6.4-17.5 HG2 GLU 44 - QD1 ILE 37 far 0 75 0 - 6.9-13.1 HG2 GLU 40 - QD1 ILE 32 far 0 78 0 - 7.2-16.3 HB3 GLN 101 - QD1 ILE 32 far 0 97 0 - 7.3-17.1 HB VAL 77 - QD1 ILE 37 far 0 41 0 - 7.6-14.4 HG3 GLU 30 - QD1 ILE 37 far 0 75 0 - 9.2-14.6 HB3 GLN 134 - QD1 ILE 37 far 0 61 0 - 9.4-14.6 HB3 GLN 101 - QD1 ILE 37 far 0 70 0 - 9.9-16.4 HB3 GLN 134 - QD1 ILE 32 far 0 89 0 - 9.9-20.5 Violated in 9 structures by 0.29 A. Peak 9010 from aliabs.peaks (3.00, 0.93, 17.29 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.72: HB2 TYR 72 + QG2 ILE 37 OK 72 85 85 100 1.9-5.9 1.8/10825=72...(32) Violated in 8 structures by 0.49 A. Peak 9011 from aliabs.peaks (3.11, 0.93, 17.29 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.61: HB3 TYR 76 + QG2 ILE 37 OK 46 83 55 100 2.7-8.8 2.6/9019=78...(19) HB3 CYS 45 + QG2 ILE 37 OK 29 100 35 82 2.9-9.4 9145/9022=44...(6) HB2 HIS 7 - QG2 ILE 37 far 0 99 0 - 7.9-38.7 HB3 HIS 7 - QG2 ILE 37 far 0 65 0 - 8.3-39.2 Violated in 11 structures by 0.45 A. Peak 9013 from aliabs.peaks (4.52, 4.02, 61.09 ppm; 5.25 A): 3 out of 3 assignments used, quality = 0.97: HA SER 38 + HA ILE 37 OK 78 78 100 100 4.8-5.3 10924/3.2=54, ~6422=51...(23) HA ASP 35 + HA ILE 37 OK 72 92 80 97 6.3-7.0 10807/1078=38...(16) HA TYR 72 + HA ILE 37 OK 44 81 55 100 3.7-8.9 11134/1089=56, ~9010=47...(23) Violated in 0 structures by 0.00 A. Peak 9014 from aliabs.peaks (4.54, 1.97, 37.79 ppm; 5.72 A): 3 out of 3 assignments used, quality = 1.00: HA SER 38 + HB ILE 37 OK 98 98 100 100 3.7-5.9 3.0/6422=97...(33) HA TYR 72 + HB ILE 37 OK 94 99 95 100 3.3-7.7 11134/2.1=92, ~9010=69...(32) HA ASP 35 + HB ILE 37 OK 53 63 85 100 5.1-7.8 3.6/10894=86...(13) Violated in 0 structures by 0.00 A. Peak 9015 from aliabs.peaks (4.53, 0.93, 17.29 ppm; 3.51 A): 2 out of 3 assignments used, quality = 0.78: HA TYR 72 + QG2 ILE 37 OK 60 93 65 99 2.4-6.7 3.4/9022=47, 3.0/9010=46...(27) HA SER 38 + QG2 ILE 37 OK 46 92 50 100 4.0-5.7 3.0/6423=52...(33) HA ASP 35 - QG2 ILE 37 far 8 78 10 - 4.4-7.0 Violated in 12 structures by 0.57 A. Peak 9016 from aliabs.peaks (4.53, 1.27, 27.60 ppm; 5.05 A): 3 out of 3 assignments used, quality = 1.00: HA SER 38 + HG12 ILE 37 OK 97 97 100 100 3.4-5.9 3.0/6424=74...(31) HA TYR 72 + HG12 ILE 37 OK 78 97 80 100 3.8-10.3 11134/1092=68...(25) HA ASP 35 + HG12 ILE 37 OK 67 68 100 98 3.5-6.2 3.6/10890=55...(14) Violated in 0 structures by 0.00 A. Peak 9019 from aliabs.peaks (6.50, 0.93, 17.29 ppm; 3.50 A): 1 out of 2 assignments used, quality = 0.49: QD TYR 76 + QG2 ILE 37 OK 49 100 50 97 2.5-8.9 2.6/10823=45...(18) QE TYR 76 - QG2 ILE 37 poor 19 76 25 - 4.0-10.0 Violated in 13 structures by 2.00 A. Peak 9020 from aliabs.peaks (6.49, 1.97, 37.79 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.72: QD TYR 76 + HB ILE 37 OK 58 97 60 100 4.0-10.9 9019/2.1=95...(20) QE TYR 76 + HB ILE 37 OK 32 92 35 99 5.0-12.3 ~9019=71, ~9019=47...(13) Violated in 12 structures by 0.96 A. Peak 9021 from aliabs.peaks (6.80, 0.93, 17.29 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.75: QE TYR 72 + QG2 ILE 37 OK 75 100 75 100 1.8-6.6 2.2/9022=79...(30) HE21 GLN 68 - QG2 ILE 37 lone 4 93 25 16 4.1-12.1 11029/10919=4...(6) HE21 GLN 127 - QG2 ILE 37 far 0 83 0 - 9.7-17.5 Violated in 9 structures by 0.72 A. Peak 9022 from aliabs.peaks (7.14, 0.93, 17.29 ppm; 3.63 A): 1 out of 2 assignments used, quality = 0.95: QD TYR 72 + QG2 ILE 37 OK 95 100 95 100 1.7-5.2 2.2/9021=54, 2.7/9010=52...(46) HD2 HIS 67 - QG2 ILE 37 far 0 76 0 - 5.6-14.2 Violated in 12 structures by 0.39 A. Peak 9023 from aliabs.peaks (8.30, 0.93, 17.29 ppm; 4.94 A): 2 out of 10 assignments used, quality = 0.70: H TYR 72 + QG2 ILE 37 OK 60 71 85 100 3.0-6.9 3.8/9010=72...(23) H LEU 43 + QG2 ILE 37 OK 24 98 25 98 5.9-8.5 3.6/10826=68...(8) H LEU 69 - QG2 ILE 37 poor 20 100 20 - 2.4-9.9 H ALA 21 - QG2 ILE 37 far 5 90 5 - 6.2-24.9 H LEU 49 - QG2 ILE 37 far 0 100 0 - 6.9-13.9 H GLU 40 - QG2 ILE 37 far 0 98 0 - 7.1-8.2 H VAL 126 - QG2 ILE 37 far 0 89 0 - 7.9-14.5 H LEU 123 - QG2 ILE 37 far 0 60 0 - 8.9-17.2 H GLU 30 - QG2 ILE 37 far 0 60 0 - 9.5-13.4 H ASP 131 - QG2 ILE 37 far 0 73 0 - 9.7-13.5 Violated in 13 structures by 0.52 A. Peak 9027 from aliabs.peaks (7.49, 0.93, 17.29 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.99: H LEU 42 + QG2 ILE 37 OK 99 100 100 99 4.3-6.3 1285/10819=83...(10) H GLN 134 - QG2 ILE 37 far 0 100 0 - 9.8-13.1 Violated in 12 structures by 0.47 A. Peak 9030 from aliabs.peaks (6.48, 4.00, 64.46 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.82: QE TYR 76 + HB2 SER 38 OK 73 100 75 98 3.3-9.5 9034/1.8=87, ~9034=32...(9) QD TYR 76 + HB2 SER 38 OK 34 81 45 95 4.6-8.5 ~9034=61, 9034/1.8=38...(8) Violated in 16 structures by 0.71 A. Peak 9032 from aliabs.peaks (6.49, 4.54, 57.72 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.98: QD TYR 76 + HA SER 38 OK 90 96 95 99 2.4-8.5 9019/10846=62, ~9034=52...(13) QE TYR 76 + HA SER 38 OK 78 95 85 98 2.0-9.9 9034/3.0=70, 9030/3.0=47...(13) Violated in 4 structures by 0.25 A. Peak 9034 from aliabs.peaks (6.48, 4.21, 64.46 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.32: QE TYR 76 + HB3 SER 38 OK 32 100 35 90 3.9-11.0 9030/1.8=47, 9032/3.0=23...(11) QD TYR 76 - HB3 SER 38 far 11 73 15 - 4.5-10.0 Violated in 18 structures by 2.33 A. Peak 9036 from aliabs.peaks (6.47, 3.40, 59.63 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.97: QE TYR 76 + HA LYS 39 OK 97 97 100 99 1.9-6.1 10558/10578=62, 9625=59...(19) Violated in 2 structures by 0.10 A. Peak 9037 from aliabs.peaks (6.46, 2.08, 32.42 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.93: QE TYR 76 + HB3 LYS 39 OK 88 89 100 99 1.8-5.5 9036/3.0=78...(14) QE TYR 76 + HB2 PRO 81 OK 39 73 95 57 4.5-7.4 9622/2.3=22, 9628=15...(9) Violated in 0 structures by 0.00 A. Peak 9042 from aliabs.peaks (1.17, 4.21, 64.46 ppm; 4.47 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 41 + HB3 SER 38 OK 99 99 100 100 1.9-5.1 10845/3.0=66...(20) QG2 THR 18 - HB3 SER 38 far 5 100 5 - 5.9-33.1 HG3 LYS 39 - HB3 SER 38 far 0 98 0 - 6.2-7.2 QG2 THR 25 - HB3 SER 38 far 0 99 0 - 6.5-23.1 HG12 ILE 32 - HB3 SER 38 far 0 90 0 - 8.2-15.7 Violated in 1 structures by 0.03 A. Peak 9043 from aliabs.peaks (1.18, 4.00, 64.46 ppm; 4.42 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 41 + HB2 SER 38 OK 100 100 100 100 2.6-4.9 9042/1.8=75...(12) HG3 LYS 39 + HB2 SER 38 OK 47 90 100 52 4.5-5.7 4.7/1129=45, 9630/9030=9 QG2 THR 18 - HB2 SER 38 far 0 96 0 - 6.1-33.3 QG2 THR 25 - HB2 SER 38 far 0 100 0 - 6.5-23.2 HG12 ILE 32 - HB2 SER 38 far 0 76 0 - 8.9-17.1 Violated in 1 structures by 0.01 A. Peak 9046 from aliabs.peaks (2.04, 4.21, 64.46 ppm; 6.05 A): 1 out of 5 assignments used, quality = 0.85: HB3 GLU 40 + HB3 SER 38 OK 85 87 100 98 5.5-6.9 4.0/10921=77...(6) HB2 GLU 44 - HB3 SER 38 poor 20 90 30 73 7.0-10.0 10857/9042=55, 6471/9033=39 HB3 GLN 27 - HB3 SER 38 far 0 73 0 - 8.4-23.0 HB2 PRO 81 - HB3 SER 38 far 0 63 0 - 8.9-16.7 HG3 PRO 81 - HB3 SER 38 far 0 97 0 - 9.1-16.3 Violated in 15 structures by 0.37 A. Peak 9053 from aliabs.peaks (0.83, 3.40, 59.63 ppm; 4.73 A): 1 out of 6 assignments used, quality = 0.88: QG1 VAL 133 + HA LYS 39 OK 88 97 90 100 3.7-6.7 10578=96, 10585/10870=65...(17) HG13 ILE 80 - HA LYS 39 poor 18 89 20 - 5.1-11.5 QG2 ILE 80 - HA LYS 39 far 14 93 15 - 5.6-11.2 QG2 ILE 129 - HA LYS 39 far 10 100 10 - 5.7-8.1 QG2 ILE 32 - HA LYS 39 far 0 97 0 - 7.7-12.5 QD1 LEU 70 - HA LYS 39 far 0 89 0 - 9.9-14.4 Violated in 12 structures by 0.49 A. Peak 9054 from aliabs.peaks (1.18, 1.90, 28.21 ppm; 5.74 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 41 + HB2 GLU 40 OK 100 100 100 100 3.9-4.9 3.0/6470=95, 10931=63...(20) HG3 LYS 39 + HB2 GLU 40 OK 80 85 100 94 3.7-5.2 9056/3.0=41...(10) QG2 THR 25 - HB2 GLU 40 far 15 100 15 - 3.5-25.8 HG12 ILE 32 - HB2 GLU 40 far 0 68 0 - 7.4-21.1 Violated in 0 structures by 0.00 A. Peak 9055 from aliabs.peaks (0.75, 3.83, 59.43 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 43 + HA GLU 40 OK 100 100 100 100 3.4-5.7 2.1/11896=78, 11805=56...(33) QD1 ILE 37 - HA GLU 40 far 0 83 0 - 6.2-10.6 QD1 ILE 32 - HA GLU 40 far 0 83 0 - 6.2-16.8 Violated in 8 structures by 0.27 A. Peak 9056 from aliabs.peaks (1.18, 3.83, 59.43 ppm; 4.49 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 41 + HA GLU 40 OK 98 99 100 100 5.0-5.0 ~6463=38, 9130/6514=36...(23) HG3 LYS 39 + HA GLU 40 OK 76 76 100 100 2.7-3.4 11901/9055=44...(28) QG2 THR 25 - HA GLU 40 far 5 99 5 - 4.8-25.3 QG2 THR 18 - HA GLU 40 far 0 85 0 - 9.9-34.5 HG12 ILE 80 - HA GLU 40 far 0 65 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 9059 from aliabs.peaks (1.18, 2.29, 35.43 ppm; 4.58 A): 2 out of 15 assignments used, quality = 0.93: QB ALA 41 + HG2 GLU 40 OK 80 100 80 100 2.8-6.2 3.0/1267=48, ~1274=41...(19) HG3 LYS 39 + HG2 GLU 40 OK 67 85 100 79 2.6-5.9 10930/1.8=29...(9) QG2 THR 25 - HG3 GLU 30 poor 19 65 30 - 3.1-10.9 HG12 ILE 32 - HG3 GLU 30 poor 19 37 55 95 4.8-7.5 ~10769=45, 2.1/9009=36...(13) QG2 THR 25 - HG2 GLU 30 poor 16 65 25 - 2.8-10.7 HG12 ILE 32 - HG2 GLU 30 poor 7 37 20 - 5.4-7.9 QG2 THR 18 - HG3 GLU 30 far 5 54 10 - 5.0-20.9 QG2 THR 25 - HG2 GLU 40 far 5 100 5 - 4.1-24.7 QG2 THR 18 - HG2 GLU 30 far 3 54 5 - 5.9-21.1 QG2 VAL 77 - HG2 GLU 30 far 0 63 0 - 6.9-25.0 QG2 VAL 77 - HG3 GLU 30 far 0 63 0 - 7.5-23.8 QB ALA 41 - HG3 GLU 30 far 0 64 0 - 8.1-16.3 HG12 ILE 32 - HG2 GLU 40 far 0 68 0 - 8.2-19.5 QG2 THR 18 - HG2 GLU 40 far 0 92 0 - 8.8-33.6 QB ALA 41 - HG2 GLU 30 far 0 64 0 - 9.0-16.8 Violated in 0 structures by 0.00 A. Peak 9061 from aliabs.peaks (8.30, 1.18, 17.90 ppm; 4.66 A): 3 out of 7 assignments used, quality = 0.99: H LEU 43 + QB ALA 41 OK 88 89 100 100 4.3-4.9 3.9/1285=70, 3.6/9066=55...(20) H GLU 40 + QB ALA 41 OK 88 89 100 100 4.3-4.7 6463/3.0=66, 2.8/9056=39...(19) H GLU 44 + QB ALA 41 OK 62 63 100 99 4.2-4.9 3.9/10857=46...(16) H ALA 21 - QB ALA 41 far 0 99 0 - 6.2-25.6 H TYR 72 - QB ALA 41 far 0 89 0 - 6.3-8.4 H LEU 69 - QB ALA 41 far 0 99 0 - 6.8-10.0 H LEU 49 - QB ALA 41 far 0 100 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 9062 from aliabs.peaks (7.13, 1.18, 17.90 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.98: QD TYR 72 + QB ALA 41 OK 98 99 100 100 3.3-5.6 2.2/9063=83...(15) Violated in 15 structures by 0.54 A. Peak 9063 from aliabs.peaks (6.80, 1.18, 17.90 ppm; 3.68 A): 1 out of 3 assignments used, quality = 0.59: QE TYR 72 + QB ALA 41 OK 59 100 60 99 3.9-6.3 9551=57, 2.2/9062=55...(17) HE21 GLN 68 - QB ALA 41 far 0 90 0 - 5.6-9.8 HE21 GLN 127 - QB ALA 41 far 0 78 0 - 9.1-15.3 Violated in 20 structures by 1.36 A. Peak 9064 from aliabs.peaks (2.47, 3.91, 54.50 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.89: HG3 GLU 44 + HA ALA 41 OK 89 89 100 100 2.3-4.6 3.0/1409=84, 3.0/1401=83...(18) Violated in 0 structures by 0.00 A. Peak 9065 from aliabs.peaks (2.29, 3.91, 54.50 ppm; 4.53 A): 2 out of 5 assignments used, quality = 0.95: HG2 GLU 40 + HA ALA 41 OK 80 100 80 100 3.4-6.6 1262/4.9=51, 1267/2.9=47...(22) HG2 GLU 44 + HA ALA 41 OK 76 76 100 100 2.8-5.5 3.0/1409=78, 3.0/1401=76...(19) HG3 GLN 68 - HA ALA 41 far 0 68 0 - 7.2-12.1 HG3 GLU 30 - HA ALA 41 far 0 92 0 - 9.0-21.3 HG2 GLU 30 - HA ALA 41 far 0 81 0 - 9.7-22.2 Violated in 4 structures by 0.07 A. Peak 9066 from aliabs.peaks (3.47, 1.18, 17.90 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 42 + QB ALA 41 OK 100 100 100 100 3.6-3.8 9073=94, 2.8/1285=89...(9) HA VAL 77 - QB ALA 41 far 0 81 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 9069 from aliabs.peaks (0.93, 1.18, 17.90 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.80: QG2 ILE 37 + QB ALA 41 OK 80 99 80 100 1.9-5.4 10819=99, 1094/9070=42...(22) QG1 VAL 20 - QB ALA 41 far 4 83 5 - 4.3-20.8 QD1 LEU 48 - QB ALA 41 far 0 85 0 - 5.9-8.0 QG1 VAL 126 - QB ALA 41 far 0 63 0 - 7.8-10.9 QD1 LEU 49 - QB ALA 41 far 0 90 0 - 8.3-10.2 QD1 LEU 123 - QB ALA 41 far 0 100 0 - 9.9-13.6 Violated in 12 structures by 0.70 A. Peak 9070 from aliabs.peaks (0.78, 1.18, 17.90 ppm; 3.77 A): 1 out of 7 assignments used, quality = 0.94: QD1 ILE 37 + QB ALA 41 OK 94 99 95 100 1.9-5.6 1094/10819=69...(15) QD1 ILE 32 - QB ALA 41 poor 17 99 40 42 2.1-10.4 10849/10859=19...(7) QD2 LEU 49 - QB ALA 41 far 0 78 0 - 6.5-8.8 QD2 LEU 96 - QB ALA 41 far 0 68 0 - 8.4-12.3 QD1 LEU 96 - QB ALA 41 far 0 100 0 - 8.8-11.0 QG1 VAL 93 - QB ALA 41 far 0 71 0 - 9.2-11.6 QD2 LEU 122 - QB ALA 41 far 0 97 0 - 9.7-13.2 Violated in 13 structures by 0.58 A. Peak 9072 from aliabs.peaks (1.00, 3.47, 59.85 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 69 + HA LEU 42 OK 94 99 95 100 1.9-6.6 11039/3.9=68, 11059=57...(21) Violated in 6 structures by 0.25 A. Peak 9073 from aliabs.peaks (1.17, 3.47, 59.85 ppm; 4.94 A): 1 out of 7 assignments used, quality = 0.99: QB ALA 41 + HA LEU 42 OK 99 99 100 100 3.6-3.8 9066=98, 1285/2.8=88...(9) HG12 ILE 32 - HA LEU 42 far 5 93 5 - 6.3-14.8 QG2 THR 25 - HA LEU 42 far 0 98 0 - 6.4-21.4 HG3 LYS 39 - HA LEU 42 far 0 99 0 - 6.8-8.4 QG2 VAL 132 - HA LEU 42 far 0 63 0 - 7.9-10.2 QG2 VAL 77 - HA LEU 42 far 0 87 0 - 9.5-12.1 QG2 THR 18 - HA LEU 42 far 0 100 0 - 9.6-29.4 Violated in 0 structures by 0.00 A. Peak 9077 from aliabs.peaks (2.06, 3.47, 59.85 ppm; 5.87 A): 1 out of 5 assignments used, quality = 0.76: HB3 GLU 44 + HA LEU 42 OK 76 90 95 89 5.4-7.5 1409/4.9=67, 4.7/1294=53...(4) HB3 LYS 39 - HA LEU 42 poor 16 78 20 - 7.1-8.4 HB3 GLN 27 - HA LEU 42 far 5 99 5 - 5.2-21.1 HG3 GLN 134 - HA LEU 42 far 0 83 0 - 8.1-12.2 HB2 GLN 127 - HA LEU 42 far 0 99 0 - 9.1-13.0 Violated in 17 structures by 0.60 A. Peak 9078 from aliabs.peaks (1.01, 1.49, 28.46 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.90: QD1 LEU 69 + HG LEU 42 OK 90 100 90 100 1.8-6.8 11039/2.1=94, ~11042=51...(37) Violated in 5 structures by 0.28 A. Peak 9079 from aliabs.peaks (0.28, 0.63, 27.44 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.89: QG2 VAL 93 + QD1 LEU 42 OK 79 100 80 99 4.3-7.1 11424/11800=53...(22) QD1 ILE 80 + QD1 LEU 42 OK 47 87 55 99 4.2-7.4 10588/11676=61...(24) Violated in 13 structures by 0.36 A. Peak 9080 from aliabs.peaks (0.28, 0.56, 24.08 ppm; 4.11 A): 2 out of 2 assignments used, quality = 0.86: QG2 VAL 93 + QD2 LEU 42 OK 72 98 75 98 3.8-6.7 11424/11891=48...(18) QD1 ILE 80 + QD2 LEU 42 OK 50 93 55 98 3.4-7.3 10588/10587=62...(25) Violated in 13 structures by 0.52 A. Peak 9081 from aliabs.peaks (0.83, 0.56, 24.08 ppm; 2.75 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 133 + QD2 LEU 42 OK 98 98 100 100 1.8-3.5 2.1/10587=47, 10585=44...(44) QG2 ILE 129 + QD2 LEU 42 OK 86 99 90 96 1.7-4.6 10486=62, 11245/9177=25...(26) QG2 ILE 80 - QD2 LEU 42 far 9 92 10 - 3.5-8.3 HG13 ILE 80 - QD2 LEU 42 far 0 87 0 - 4.7-9.1 QD2 LEU 70 - QD2 LEU 42 far 0 65 0 - 5.0-9.7 QD1 LEU 70 - QD2 LEU 42 far 0 87 0 - 5.7-10.5 QG2 ILE 32 - QD2 LEU 42 far 0 98 0 - 6.6-10.6 QD1 LEU 122 - QD2 LEU 42 far 0 73 0 - 6.9-11.3 Violated in 2 structures by 0.04 A. Peak 9082 from aliabs.peaks (1.02, 0.56, 24.08 ppm; 2.84 A): 2 out of 2 assignments used, quality = 0.94: QG2 VAL 133 + QD2 LEU 42 OK 82 83 100 100 1.9-3.5 10587=50, 2.1/10585=42...(38) QD1 LEU 69 + QD2 LEU 42 OK 69 93 75 98 1.8-7.3 11039=49, 2.1/11042=28...(34) Violated in 4 structures by 0.06 A. Peak 9083 from aliabs.peaks (0.83, 0.63, 27.44 ppm; 3.44 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 133 + QD1 LEU 42 OK 97 97 100 100 2.4-4.5 2.1/11774=64...(39) QG2 ILE 129 + QD1 LEU 42 OK 94 100 95 99 2.5-5.2 10486/2.1=72, 4142=45...(36) QG2 ILE 80 - QD1 LEU 42 far 14 95 15 - 3.7-8.5 HG13 ILE 80 - QD1 LEU 42 far 5 90 5 - 4.7-9.7 QG2 ILE 32 - QD1 LEU 42 far 0 97 0 - 5.1-10.3 QD2 LEU 70 - QD1 LEU 42 far 0 60 0 - 5.3-8.3 QD1 LEU 70 - QD1 LEU 42 far 0 90 0 - 5.5-10.2 QD1 LEU 122 - QD1 LEU 42 far 0 78 0 - 7.3-11.2 Violated in 4 structures by 0.07 A. Peak 9084 from aliabs.peaks (1.02, 0.63, 27.44 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.97: QG2 VAL 133 + QD1 LEU 42 OK 89 89 100 100 2.8-4.9 11676=77, 10587/2.1=60...(38) QD1 LEU 69 + QD1 LEU 42 OK 75 89 85 100 1.8-6.2 11039/2.1=57, 11065=37...(43) Violated in 3 structures by 0.04 A. Peak 9085 from aliabs.peaks (1.65, 0.56, 24.08 ppm; 3.66 A): 1 out of 8 assignments used, quality = 0.87: HG LEU 43 + QD2 LEU 42 OK 87 100 90 97 1.7-5.4 2.1/9129=67...(11) HB2 LEU 69 - QD2 LEU 42 far 10 100 10 - 3.5-8.2 HD2 LYS 36 - QD2 LEU 42 far 9 93 10 - 4.6-11.6 HD3 LYS 36 - QD2 LEU 42 far 0 95 0 - 5.2-11.5 QB ALA 88 - QD2 LEU 42 far 0 92 0 - 7.6-9.9 HD2 LYS 86 - QD2 LEU 42 far 0 99 0 - 8.2-11.5 HD3 LYS 86 - QD2 LEU 42 far 0 100 0 - 8.3-12.1 HD2 LYS 95 - QD2 LEU 42 far 0 99 0 - 9.8-16.3 Violated in 13 structures by 0.67 A. Peak 9086 from aliabs.peaks (2.00, 0.56, 24.08 ppm; 4.52 A): 1 out of 9 assignments used, quality = 0.90: HB ILE 129 + QD2 LEU 42 OK 90 100 90 100 3.0-6.8 2.1/10486=96...(20) HB ILE 37 - QD2 LEU 42 poor 12 60 20 - 5.1-8.3 HB2 GLU 44 - QD2 LEU 42 far 3 68 5 - 5.8-7.7 HB2 GLN 134 - QD2 LEU 42 far 0 76 0 - 6.1-8.7 HB3 GLU 40 - QD2 LEU 42 far 0 73 0 - 6.2-8.7 HG2 PRO 81 - QD2 LEU 42 far 0 98 0 - 6.3-9.4 HB2 PRO 81 - QD2 LEU 42 far 0 32 0 - 6.5-10.4 HG2 ARG 90 - QD2 LEU 42 far 0 71 0 - 8.6-12.2 HB2 GLU 91 - QD2 LEU 42 far 0 100 0 - 9.9-12.9 Violated in 8 structures by 0.39 A. Peak 9087 from aliabs.peaks (2.19, 0.56, 24.08 ppm; 4.02 A): 1 out of 7 assignments used, quality = 1.00: HB VAL 133 + QD2 LEU 42 OK 100 100 100 100 2.1-4.4 2.1/10587=87...(34) HB2 PRO 81 - QD2 LEU 42 far 0 93 0 - 6.5-10.4 HG2 GLN 68 - QD2 LEU 42 far 0 68 0 - 7.8-11.1 HB3 GLN 68 - QD2 LEU 42 far 0 98 0 - 7.8-10.3 HB2 GLN 68 - QD2 LEU 42 far 0 60 0 - 8.4-10.8 HB2 GLN 82 - QD2 LEU 42 far 0 87 0 - 9.0-13.1 HG2 GLU 91 - QD2 LEU 42 far 0 81 0 - 9.5-14.1 Violated in 3 structures by 0.06 A. Peak 9088 from aliabs.peaks (2.20, 0.63, 27.44 ppm; 5.45 A): 1 out of 8 assignments used, quality = 0.96: HB VAL 133 + QD1 LEU 42 OK 96 96 100 100 3.0-5.8 2.1/11676=97...(36) HG2 GLN 68 - QD1 LEU 42 far 14 93 15 - 6.0-9.8 HB3 GLN 68 - QD1 LEU 42 far 4 81 5 - 6.1-9.1 HB2 GLN 68 - QD1 LEU 42 far 0 89 0 - 7.0-9.9 HB3 GLN 127 - QD1 LEU 42 far 0 81 0 - 7.6-11.8 HB2 PRO 81 - QD1 LEU 42 far 0 88 0 - 7.9-10.9 HB3 GLU 128 - QD1 LEU 42 far 0 57 0 - 8.5-11.6 HB2 GLN 82 - QD1 LEU 42 far 0 99 0 - 9.7-14.1 Violated in 4 structures by 0.03 A. Peak 9089 from aliabs.peaks (2.93, 1.49, 28.46 ppm; 6.80 A): 1 out of 6 assignments used, quality = 1.00: HB2 CYS 45 + HG LEU 42 OK 100 100 100 100 4.2-7.4 11062/9078=94...(13) HE2 LYS 39 - HG LEU 42 poor 20 100 20 - 6.0-11.0 HE3 LYS 39 - HG LEU 42 far 15 100 15 - 6.3-10.9 HE2 LYS 36 - HG LEU 42 poor 13 65 20 - 4.8-12.8 HE3 LYS 36 - HG LEU 42 far 10 65 15 - 4.4-13.5 HE2 LYS 26 - HG LEU 42 far 0 68 0 - 9.1-27.6 Violated in 2 structures by 0.05 A. Peak 9090 from aliabs.peaks (3.02, 1.49, 28.46 ppm; 5.55 A): 1 out of 1 assignment used, quality = 1.00: HB2 TYR 72 + HG LEU 42 OK 100 100 100 100 3.6-5.7 10874/2.1=93...(25) Violated in 1 structures by 0.01 A. Peak 9091 from aliabs.peaks (3.35, 0.63, 27.44 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.99: HB3 TYR 72 + QD1 LEU 42 OK 99 99 100 100 1.9-5.1 1.8/10874=70...(33) HB3 PHE 89 - QD1 LEU 42 far 0 97 0 - 6.2-8.9 HB2 HIS 67 - QD1 LEU 42 far 0 99 0 - 9.0-12.3 Violated in 2 structures by 0.09 A. Peak 9092 from aliabs.peaks (3.13, 0.63, 27.44 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: HB3 TYR 76 + QD1 LEU 42 OK 100 100 100 100 2.0-4.1 9635=66, 1.8/9617=59...(24) HB3 CYS 45 + QD1 LEU 42 OK 23 96 25 96 4.4-7.5 1.8/9093=57...(13) HB3 HIS 7 - QD1 LEU 42 far 0 97 0 - 9.5-44.7 Violated in 0 structures by 0.00 A. Peak 9093 from aliabs.peaks (2.95, 0.63, 27.44 ppm; 4.78 A): 1 out of 13 assignments used, quality = 0.70: HB2 CYS 45 + QD1 LEU 42 OK 70 87 85 95 4.6-6.6 9097/2.1=53...(9) HE2 LYS 36 - QD1 LEU 42 far 15 99 15 - 4.9-11.3 HE2 LYS 39 - QD1 LEU 42 far 11 73 15 - 5.8-8.9 HE3 LYS 36 - QD1 LEU 42 far 10 99 10 - 5.0-12.1 HE3 LYS 39 - QD1 LEU 42 far 4 73 5 - 6.1-9.9 HE2 LYS 26 - QD1 LEU 42 far 0 99 0 - 8.1-24.1 HE3 LYS 24 - QD1 LEU 42 far 0 99 0 - 8.3-25.0 HE3 LYS 26 - QD1 LEU 42 far 0 98 0 - 8.5-23.6 HE2 LYS 31 - QD1 LEU 42 far 0 99 0 - 8.5-16.3 HE3 LYS 86 - QD1 LEU 42 far 0 100 0 - 9.2-12.5 HD2 ARG 135 - QD1 LEU 42 far 0 65 0 - 9.3-12.7 HE2 LYS 24 - QD1 LEU 42 far 0 100 0 - 9.5-24.3 HE3 LYS 31 - QD1 LEU 42 far 0 100 0 - 9.5-16.8 Violated in 18 structures by 0.74 A. Peak 9094 from aliabs.peaks (2.74, 0.63, 27.44 ppm; 4.10 A): 2 out of 7 assignments used, quality = 0.98: HB2 CYS 73 + QD1 LEU 42 OK 88 100 90 97 2.5-7.6 3.0/9570=36, 3.8/9104=32...(22) HB2 TYR 76 + QD1 LEU 42 OK 80 81 100 100 2.1-4.6 1.8/9092=63, 3.0/9615=48...(22) HB2 ASP 47 - QD1 LEU 42 far 0 68 0 - 6.0-10.6 HB3 ASP 78 - QD1 LEU 42 far 0 85 0 - 7.6-10.0 HB2 ASP 131 - QD1 LEU 42 far 0 71 0 - 7.8-11.1 HB2 CYS 125 - QD1 LEU 42 far 0 96 0 - 8.3-12.3 HB3 ASP 35 - QD1 LEU 42 far 0 92 0 - 8.3-11.8 Violated in 2 structures by 0.01 A. Peak 9095 from aliabs.peaks (3.34, 0.56, 24.08 ppm; 4.46 A): 2 out of 3 assignments used, quality = 1.00: HB3 TYR 72 + QD2 LEU 42 OK 100 100 100 100 3.9-5.1 9091/2.1=78...(28) HB3 PHE 89 + QD2 LEU 42 OK 22 100 25 87 5.6-8.2 4.5/11891=51...(10) HB2 PHE 89 - QD2 LEU 42 far 8 76 10 - 5.4-8.6 Violated in 5 structures by 0.08 A. Peak 9096 from aliabs.peaks (3.12, 0.56, 24.08 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.99: HB3 TYR 76 + QD2 LEU 42 OK 99 99 100 100 2.5-5.5 9635/2.1=74, ~9617=55...(27) HB3 CYS 45 - QD2 LEU 42 far 15 99 15 - 4.7-7.7 HB3 HIS 6 - QD2 LEU 42 far 0 97 0 - 9.7-48.2 Violated in 3 structures by 0.08 A. Peak 9097 from aliabs.peaks (2.94, 0.56, 24.08 ppm; 4.42 A): 2 out of 10 assignments used, quality = 0.65: HB2 CYS 45 + QD2 LEU 42 OK 54 99 55 99 4.9-7.8 11062/11066=63...(14) HE2 LYS 39 + QD2 LEU 42 OK 23 96 25 95 4.8-8.9 10577/10585=59...(12) HE3 LYS 39 - QD2 LEU 42 far 14 96 15 - 5.1-9.0 HE3 LYS 36 - QD2 LEU 42 far 4 85 5 - 5.4-12.4 HE2 LYS 36 - QD2 LEU 42 far 0 85 0 - 5.9-11.5 HD2 ARG 135 - QD2 LEU 42 far 0 92 0 - 7.7-10.9 HE3 LYS 86 - QD2 LEU 42 far 0 93 0 - 8.5-12.8 HE2 LYS 26 - QD2 LEU 42 far 0 87 0 - 9.5-24.7 HE3 LYS 26 - QD2 LEU 42 far 0 81 0 - 9.9-24.2 HE2 LYS 31 - QD2 LEU 42 far 0 87 0 - 10.0-17.1 Violated in 20 structures by 0.94 A. Peak 9098 from aliabs.peaks (2.75, 0.56, 24.08 ppm; 4.73 A): 2 out of 7 assignments used, quality = 1.00: HB2 CYS 73 + QD2 LEU 42 OK 98 99 100 100 1.9-6.1 9094/2.1=46...(27) HB2 TYR 76 + QD2 LEU 42 OK 89 89 100 100 2.3-5.9 1.8/9096=81, 9617/2.1=64...(25) HB2 ASP 47 - QD2 LEU 42 far 6 57 10 - 5.9-9.8 HB2 ASP 131 - QD2 LEU 42 far 0 81 0 - 6.4-9.9 HB2 CYS 125 - QD2 LEU 42 far 0 90 0 - 7.8-11.3 HB3 ASP 78 - QD2 LEU 42 far 0 76 0 - 8.1-11.0 HB3 ASP 35 - QD2 LEU 42 far 0 85 0 - 9.2-13.1 Violated in 1 structures by 0.03 A. Peak 9099 from aliabs.peaks (3.78, 0.56, 24.08 ppm; 3.36 A): 4 out of 6 assignments used, quality = 1.00: HA SER 130 + QD2 LEU 42 OK 94 100 100 94 1.9-4.7 11747/9129=35...(21) HA LEU 43 + QD2 LEU 42 OK 89 100 90 99 2.2-5.6 2.8/6504=40...(20) HB3 SER 130 + QD2 LEU 42 OK 50 99 60 83 3.4-7.0 10509/9129=34...(14) HA VAL 133 + QD2 LEU 42 OK 24 97 25 100 3.9-6.2 3.2/10587=51...(32) HA ARG 90 - QD2 LEU 42 far 0 81 0 - 6.6-10.7 HA GLU 97 - QD2 LEU 42 far 0 90 0 - 9.7-12.6 Violated in 2 structures by 0.05 A. Peak 9100 from aliabs.peaks (4.34, 0.56, 24.08 ppm; 4.20 A): 1 out of 7 assignments used, quality = 0.59: HA LEU 69 + QD2 LEU 42 OK 59 100 60 99 4.7-6.7 2208/11066=61...(21) HA GLN 134 - QD2 LEU 42 far 10 97 10 - 5.0-7.6 HA2 GLY 75 - QD2 LEU 42 far 0 87 0 - 6.2-9.0 HA ASP 47 - QD2 LEU 42 far 0 99 0 - 6.3-9.7 HA PRO 81 - QD2 LEU 42 far 0 90 0 - 7.1-11.0 HA CYS 125 - QD2 LEU 42 far 0 95 0 - 7.8-11.7 HA LYS 24 - QD2 LEU 42 far 0 93 0 - 9.9-24.5 Violated in 20 structures by 1.51 A. Peak 9101 from aliabs.peaks (3.77, 0.63, 27.44 ppm; 4.81 A): 4 out of 6 assignments used, quality = 1.00: HA LEU 43 + QD1 LEU 42 OK 100 100 100 100 2.3-6.0 10883/2.1=82...(13) HA SER 130 + QD1 LEU 42 OK 98 100 100 98 2.8-6.2 11861/11676=63...(15) HB3 SER 130 + QD1 LEU 42 OK 55 100 65 85 3.8-8.3 10494/9111=29...(11) HA VAL 133 + QD1 LEU 42 OK 50 99 50 100 4.8-7.4 3.2/11676=82, ~10587=56...(33) HA ARG 90 - QD1 LEU 42 far 0 71 0 - 7.0-10.4 HA GLU 97 - QD1 LEU 42 far 0 96 0 - 9.5-13.4 Violated in 2 structures by 0.02 A. Peak 9102 from aliabs.peaks (4.36, 0.63, 27.44 ppm; 3.81 A): 2 out of 8 assignments used, quality = 0.97: HA LEU 69 + QD1 LEU 42 OK 84 97 90 97 3.0-6.6 9100/2.1=48...(24) HA CYS 73 + QD1 LEU 42 OK 82 87 95 99 1.8-5.7 9570=42, 11565/3.2=39...(25) HA GLN 134 - QD1 LEU 42 far 0 99 0 - 6.1-9.2 HA ASP 47 - QD1 LEU 42 far 0 78 0 - 7.0-10.4 HA ASP 78 - QD1 LEU 42 far 0 71 0 - 8.1-10.5 HA CYS 125 - QD1 LEU 42 far 0 100 0 - 8.5-12.1 HA LYS 24 - QD1 LEU 42 far 0 57 0 - 9.0-23.0 HA SER 9 - QD1 LEU 42 far 0 81 0 - 9.8-39.1 Violated in 2 structures by 0.09 A. Peak 9105 from aliabs.peaks (8.02, 0.56, 24.08 ppm; 5.23 A): 2 out of 5 assignments used, quality = 0.96: H SER 130 + QD2 LEU 42 OK 90 90 100 100 3.0-6.6 4.2/10486=81...(16) H ILE 129 + QD2 LEU 42 OK 62 90 70 98 4.8-8.5 4.0/10486=84...(8) H LEU 48 - QD2 LEU 42 far 3 60 5 - 6.7-10.1 H SER 94 - QD2 LEU 42 far 0 68 0 - 8.2-12.0 H CYS 125 - QD2 LEU 42 far 0 78 0 - 8.9-12.7 Violated in 4 structures by 0.11 A. Peak 9106 from aliabs.peaks (8.50, 0.56, 24.08 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.63: H ALA 46 + QD2 LEU 42 OK 63 63 100 100 3.6-6.5 3.1/9177=91...(13) H GLU 97 - QD2 LEU 42 far 0 99 0 - 8.9-12.6 Violated in 10 structures by 0.43 A. Peak 9107 from aliabs.peaks (7.33, 0.56, 24.08 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.60: HZ PHE 89 + QD2 LEU 42 OK 60 60 100 100 1.9-5.4 9110/2.1=81...(19) HE ARG 90 - QD2 LEU 42 far 0 100 0 - 7.9-13.0 Violated in 1 structures by 0.05 A. Peak 9108 from aliabs.peaks (7.12, 0.56, 24.08 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.92: QD TYR 72 + QD2 LEU 42 OK 92 92 100 100 2.3-5.5 9111/2.1=70...(38) Violated in 15 structures by 0.47 A. Peak 9109 from aliabs.peaks (6.49, 0.56, 24.08 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + QD2 LEU 42 OK 97 97 100 99 2.1-5.0 10555/10587=52...(24) QD TYR 76 + QD2 LEU 42 OK 92 92 100 100 1.9-4.7 2.6/9096=51, 9112/2.1=37...(28) Violated in 1 structures by 0.01 A. Peak 9110 from aliabs.peaks (7.33, 0.63, 27.44 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.71: HZ PHE 89 + QD1 LEU 42 OK 71 71 100 100 1.9-5.0 2.2/11890=66...(19) HE ARG 90 - QD1 LEU 42 far 0 99 0 - 8.8-12.6 Violated in 2 structures by 0.06 A. Peak 9111 from aliabs.peaks (7.12, 0.63, 27.44 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.87: QD TYR 72 + QD1 LEU 42 OK 87 87 100 100 1.9-4.8 9108/2.1=78, 2.7/9091=76...(36) Violated in 1 structures by 0.01 A. Peak 9112 from aliabs.peaks (6.48, 0.63, 27.44 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.98: QE TYR 76 + QD1 LEU 42 OK 88 99 90 99 2.3-5.5 10555/11676=46, 9634=38...(24) QD TYR 76 + QD1 LEU 42 OK 86 87 100 99 1.9-4.6 2.6/9092=46, 2.6/9617=45...(18) Violated in 4 structures by 0.05 A. Peak 9113 from aliabs.peaks (7.14, 3.47, 59.85 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 72 + HA LEU 42 OK 100 100 100 100 2.3-4.0 11119=78, 9022/10826=57...(18) Violated in 0 structures by 0.00 A. Peak 9115 from aliabs.peaks (4.53, 0.63, 27.44 ppm; 4.79 A): 2 out of 3 assignments used, quality = 0.98: HA TYR 72 + QD1 LEU 42 OK 96 96 100 100 3.5-5.9 3.0/9091=76...(30) HA SER 38 + QD1 LEU 42 OK 58 95 75 82 3.7-7.5 10846/10821=48...(9) HA ASP 35 - QD1 LEU 42 far 0 73 0 - 6.6-9.7 Violated in 1 structures by 0.04 A. Peak 9116 from aliabs.peaks (7.47, 0.74, 22.24 ppm; 5.81 A): 2 out of 2 assignments used, quality = 0.99: H GLN 134 + QD2 LEU 43 OK 92 92 100 100 2.1-4.3 4.3/11777=91...(29) H LEU 42 + QD2 LEU 43 OK 92 92 100 100 3.7-6.3 3.9/6510=83, 4.8/9129=82...(12) Violated in 0 structures by 0.00 A. Peak 9119 from aliabs.peaks (3.40, 0.68, 25.73 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QD1 LEU 43 OK 100 100 100 100 4.2-5.9 4.0/11901=77...(31) Violated in 5 structures by 0.09 A. Peak 9120 from aliabs.peaks (2.94, 0.68, 25.73 ppm; 3.63 A): 2 out of 11 assignments used, quality = 0.98: HE2 LYS 39 + QD1 LEU 43 OK 93 96 100 97 1.9-5.0 4.0/11901=44...(28) HE3 LYS 39 + QD1 LEU 43 OK 73 96 80 95 2.3-6.4 4.0/11901=44...(26) HD2 ARG 135 - QD1 LEU 43 far 0 92 0 - 6.4-10.1 HB2 CYS 45 - QD1 LEU 43 far 0 99 0 - 7.4-9.1 HE3 LYS 36 - QD1 LEU 43 far 0 85 0 - 7.8-15.6 HE2 LYS 36 - QD1 LEU 43 far 0 85 0 - 8.3-14.8 HE2 LYS 31 - QD1 LEU 43 far 0 87 0 - 8.5-20.4 HE3 LYS 24 - QD1 LEU 43 far 0 99 0 - 8.6-28.0 HE2 LYS 24 - QD1 LEU 43 far 0 96 0 - 9.4-27.6 HE3 LYS 26 - QD1 LEU 43 far 0 81 0 - 9.6-27.2 HE3 LYS 31 - QD1 LEU 43 far 0 96 0 - 9.8-20.9 Violated in 6 structures by 0.15 A. Peak 9121 from aliabs.peaks (2.65, 0.68, 25.73 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: HG2 GLN 134 + QD1 LEU 43 OK 100 100 100 100 2.4-5.4 11684=87, 9124/2.1=76...(25) HB2 ASP 35 - QD1 LEU 43 far 0 100 0 - 9.0-14.9 Violated in 9 structures by 0.23 A. Peak 9122 from aliabs.peaks (3.40, 0.74, 22.24 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QD2 LEU 43 OK 100 100 100 100 3.0-6.4 9119/2.1=90...(37) Violated in 2 structures by 0.04 A. Peak 9123 from aliabs.peaks (2.94, 0.74, 22.24 ppm; 4.30 A): 2 out of 10 assignments used, quality = 0.96: HE2 LYS 39 + QD2 LEU 43 OK 83 99 85 99 3.1-6.4 10577/11777=58...(29) HE3 LYS 39 + QD2 LEU 43 OK 77 99 80 98 3.1-7.6 9120/2.1=38, ~9120=34...(26) HD2 ARG 135 - QD2 LEU 43 far 0 97 0 - 6.2-9.3 HB2 CYS 45 - QD2 LEU 43 far 0 100 0 - 6.3-8.3 HE3 LYS 36 - QD2 LEU 43 far 0 76 0 - 6.5-14.3 HE2 LYS 36 - QD2 LEU 43 far 0 76 0 - 7.6-13.7 HE2 LYS 26 - QD2 LEU 43 far 0 78 0 - 8.7-25.7 HE3 LYS 26 - QD2 LEU 43 far 0 71 0 - 8.9-25.1 HE2 LYS 31 - QD2 LEU 43 far 0 78 0 - 9.2-18.9 HE3 LYS 86 - QD2 LEU 43 far 0 87 0 - 9.7-15.7 Violated in 8 structures by 0.30 A. Peak 9124 from aliabs.peaks (2.64, 0.74, 22.24 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.94: HG2 GLN 134 + QD2 LEU 43 OK 94 99 95 100 2.5-5.6 10596=89, 9121/2.1=67...(30) HB2 ASP 35 - QD2 LEU 43 far 0 97 0 - 9.1-14.9 Violated in 3 structures by 0.14 A. Peak 9125 from aliabs.peaks (2.06, 0.68, 25.73 ppm; 3.84 A): 2 out of 9 assignments used, quality = 0.96: HG3 GLN 134 + QD1 LEU 43 OK 91 96 95 100 1.9-5.8 1.8/9121=64, 10600=58...(24) HB3 LYS 39 + QD1 LEU 43 OK 60 93 65 99 4.0-6.3 2.9/11901=64...(35) HG3 PRO 81 - QD1 LEU 43 far 9 92 10 - 4.9-11.8 HB3 GLU 44 - QD1 LEU 43 far 5 99 5 - 5.3-7.2 HB2 PRO 81 - QD1 LEU 43 far 0 81 0 - 5.9-12.4 HB3 GLN 27 - QD1 LEU 43 far 0 100 0 - 6.9-23.7 HB2 GLN 127 - QD1 LEU 43 far 0 90 0 - 7.3-11.8 HB3 GLN 82 - QD1 LEU 43 far 0 71 0 - 8.6-15.8 HB2 GLU 128 - QD1 LEU 43 far 0 90 0 - 9.9-12.2 Violated in 6 structures by 0.19 A. Peak 9126 from aliabs.peaks (2.33, 0.68, 25.73 ppm; 4.78 A): 2 out of 6 assignments used, quality = 0.99: HB3 GLN 134 + QD1 LEU 43 OK 99 99 100 100 1.8-3.6 11074/2.1=78...(28) HG2 GLU 44 + QD1 LEU 43 OK 45 81 60 93 5.4-7.9 4.8/6523=45, ~9140=44...(6) HG2 GLN 27 - QD1 LEU 43 far 5 99 5 - 6.3-23.2 HG3 GLN 27 - QD1 LEU 43 far 5 98 5 - 5.9-22.7 HG2 GLN 127 - QD1 LEU 43 far 0 99 0 - 9.3-12.4 HG2 GLU 128 - QD1 LEU 43 far 0 100 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 9127 from aliabs.peaks (2.05, 0.74, 22.24 ppm; 3.84 A): 3 out of 10 assignments used, quality = 0.88: HG3 GLN 134 + QD2 LEU 43 OK 70 73 95 100 1.8-5.7 1.8/9124=70...(34) HG3 PRO 81 + QD2 LEU 43 OK 37 100 55 67 4.6-11.8 10575/11776=18...(13) HB3 LYS 39 + QD2 LEU 43 OK 37 68 55 97 3.2-7.2 ~11901=35, 3.0/9122=30...(36) HB2 GLN 127 - QD2 LEU 43 far 15 100 15 - 5.0-10.2 HG3 ARG 135 - QD2 LEU 43 far 4 83 5 - 5.3-8.5 HB2 GLU 44 - QD2 LEU 43 far 0 60 0 - 5.7-7.5 HB2 PRO 81 - QD2 LEU 43 far 0 73 0 - 5.8-12.5 HB3 GLU 44 - QD2 LEU 43 far 0 83 0 - 6.4-7.6 HB3 GLN 27 - QD2 LEU 43 far 0 97 0 - 6.7-22.0 HB2 GLU 128 - QD2 LEU 43 far 0 63 0 - 7.6-10.4 Violated in 4 structures by 0.08 A. Peak 9128 from aliabs.peaks (2.19, 0.74, 22.24 ppm; 3.72 A): 1 out of 5 assignments used, quality = 0.85: HB VAL 133 + QD2 LEU 43 OK 85 100 85 100 1.9-6.5 2.1/11777=82...(27) HB2 PRO 81 - QD2 LEU 43 far 0 94 0 - 5.8-12.5 HB3 LEU 69 - QD2 LEU 43 far 0 60 0 - 7.0-9.6 HB2 GLN 82 - QD2 LEU 43 far 0 81 0 - 8.0-15.0 HG2 GLN 68 - QD2 LEU 43 far 0 60 0 - 9.9-13.2 Violated in 8 structures by 0.43 A. Peak 9129 from aliabs.peaks (0.54, 0.74, 22.24 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 42 + QD2 LEU 43 OK 93 93 100 100 1.7-4.6 9085/2.1=52...(35) Violated in 4 structures by 0.16 A. Peak 9140 from aliabs.peaks (1.72, 2.48, 34.64 ppm; 4.48 A): 1 out of 11 assignments used, quality = 0.31: HB2 LEU 43 + HG3 GLU 44 OK 31 87 45 80 3.8-7.9 4.6/1424=55, ~10881=15...(7) HB3 LEU 70 - HG3 GLN 104 far 4 76 5 - 5.8-12.4 HG LEU 48 - HG3 GLU 44 lone 3 99 25 11 5.3-10.1 10947/1.8=8, 2.1/11523=3 HB2 LYS 26 - HG3 GLN 104 far 3 50 5 - 5.7-24.4 HB2 LYS 26 - HG3 GLU 44 far 0 73 0 - 6.1-29.4 HB2 LEU 70 - HG3 GLN 104 far 0 65 0 - 6.2-12.9 HB2 LYS 31 - HG3 GLU 44 far 0 78 0 - 7.5-23.7 HB2 LYS 24 - HG3 GLU 44 far 0 76 0 - 7.9-31.5 HB2 LYS 19 - HG3 GLU 44 far 0 78 0 - 8.7-37.2 HD3 LYS 39 - HG3 GLU 44 far 0 99 0 - 8.9-12.9 HB2 LYS 24 - HG3 GLN 104 far 0 52 0 - 9.3-29.7 Violated in 18 structures by 1.85 A. Peak 9141 from aliabs.peaks (1.19, 2.48, 34.64 ppm; 5.21 A): 1 out of 5 assignments used, quality = 0.93: QB ALA 41 + HG3 GLU 44 OK 93 93 100 100 3.2-5.8 2.1/9064=70...(20) HG3 LYS 39 - HG3 GLU 44 far 3 60 5 - 6.5-10.3 QG2 THR 25 - HG3 GLU 44 lone 0 95 25 1 3.6-26.2 QG2 THR 18 - HG3 GLU 44 far 0 71 0 - 6.9-33.4 QG2 THR 25 - HG3 GLN 104 far 0 69 0 - 9.1-21.9 Violated in 7 structures by 0.09 A. Peak 9143 from aliabs.peaks (7.14, 2.93, 26.00 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 72 + HB2 CYS 45 OK 99 99 100 100 2.7-5.0 2.2/9144=76, 9145/1.8=76...(23) Violated in 1 structures by 0.01 A. Peak 9144 from aliabs.peaks (6.80, 2.93, 26.00 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: QE TYR 72 + HB2 CYS 45 OK 100 100 100 100 2.3-4.9 9547/1.8=67, 2.2/9143=62...(17) HE21 GLN 68 - HB2 CYS 45 poor 11 95 25 46 4.1-9.7 9146/1.8=14, 4.6/9156=13...(6) HE21 GLN 127 - HB2 CYS 45 far 0 85 0 - 6.2-13.9 Violated in 2 structures by 0.03 A. Peak 9145 from aliabs.peaks (7.13, 3.12, 26.00 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 72 + HB3 CYS 45 OK 100 100 100 100 2.5-6.0 2.2/9146=72, 9143/1.8=71...(24) Violated in 3 structures by 0.08 A. Peak 9146 from aliabs.peaks (6.81, 3.12, 26.00 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.99: QE TYR 72 + HB3 CYS 45 OK 99 99 100 100 2.2-5.2 9547=67, 9144/1.8=63...(19) HE21 GLN 68 + HB3 CYS 45 OK 21 99 55 39 2.8-9.3 4.6/9158=13, 10896/3.0=8...(6) HE21 GLN 127 - HB3 CYS 45 far 0 96 0 - 5.9-14.0 Violated in 2 structures by 0.06 A. Peak 9147 from aliabs.peaks (8.33, 3.12, 26.00 ppm; 6.51 A): 3 out of 4 assignments used, quality = 1.00: H GLU 44 + HB3 CYS 45 OK 100 100 100 100 4.9-6.4 6531/4.4=93, 9132/4.5=84...(7) H TYR 72 + HB3 CYS 45 OK 88 98 90 99 5.9-9.5 6983/9145=85...(9) H LEU 49 + HB3 CYS 45 OK 53 57 100 93 4.8-6.7 9148/3.0=41...(11) H ALA 21 - HB3 CYS 45 far 0 87 0 - 8.6-27.6 Violated in 0 structures by 0.00 A. Peak 9148 from aliabs.peaks (8.31, 4.11, 62.25 ppm; 6.21 A): 4 out of 6 assignments used, quality = 1.00: H LEU 49 + HA CYS 45 OK 92 92 100 100 3.8-5.4 4.0/1436=82, 4.6/1438=81...(15) H GLU 44 + HA CYS 45 OK 85 89 100 96 5.1-5.5 6531/3.6=80, 3.9/9153=45...(6) H LEU 69 + HA CYS 45 OK 80 89 90 100 5.5-8.4 3.7/9153=91...(13) H LEU 43 + HA CYS 45 OK 50 63 100 80 6.7-7.4 6535/2.8=61, 6497/4.8=12...(9) H ALA 21 - HA CYS 45 far 0 100 0 - 8.0-28.4 H TYR 72 - HA CYS 45 far 0 99 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 9153 from aliabs.peaks (2.05, 4.11, 62.25 ppm; 5.27 A): 2 out of 4 assignments used, quality = 0.93: HB3 GLU 44 + HA CYS 45 OK 82 83 100 99 3.7-5.5 6540/2.8=73, ~6539=67...(8) HB2 GLU 44 + HA CYS 45 OK 59 60 100 99 3.9-5.3 ~1416=66, ~6540=66...(10) HB3 GLN 27 - HA CYS 45 far 14 97 15 - 5.2-22.5 HB2 GLN 127 - HA CYS 45 far 0 100 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 9155 from aliabs.peaks (1.22, 4.11, 62.25 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.79: QG2 THR 65 + HA CYS 45 OK 79 100 80 100 3.8-6.4 9443/9153=59...(17) Violated in 15 structures by 0.85 A. Peak 9156 from aliabs.peaks (2.17, 2.93, 26.00 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 69 + HB2 CYS 45 OK 99 99 100 100 2.2-6.4 3.2/11062=100...(23) HB3 GLN 68 + HB2 CYS 45 OK 78 92 100 85 4.5-7.6 9158/1.8=43...(7) HB VAL 133 - HB2 CYS 45 far 0 73 0 - 8.9-13.3 Violated in 0 structures by 0.00 A. Peak 9158 from aliabs.peaks (2.18, 3.12, 26.00 ppm; 6.17 A): 2 out of 3 assignments used, quality = 0.97: HB3 LEU 69 + HB3 CYS 45 OK 83 83 100 100 1.9-5.9 9153/3.0=96, 9149/3.5=88...(24) HB3 GLN 68 + HB3 CYS 45 OK 82 100 100 82 3.9-6.7 9550/9146=37...(8) HB VAL 133 - HB3 CYS 45 far 0 96 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 9159 from aliabs.peaks (0.99, 3.12, 26.00 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.87: QD1 LEU 69 + HB3 CYS 45 OK 87 87 100 100 2.0-5.7 9160/1.8=89, 11061=68...(26) QG2 VAL 126 - HB3 CYS 45 poor 19 63 45 68 5.1-7.6 9527/9145=41...(4) QD2 LEU 53 - HB3 CYS 45 far 0 73 0 - 8.2-13.8 Violated in 5 structures by 0.12 A. Peak 9160 from aliabs.peaks (1.00, 2.93, 26.00 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.83: QD1 LEU 69 + HB2 CYS 45 OK 83 97 85 100 1.8-6.3 11062=96, 11061/1.8=76...(22) Violated in 9 structures by 0.59 A. Peak 9164 from aliabs.peaks (0.91, 4.11, 62.25 ppm; 3.69 A): 2 out of 9 assignments used, quality = 1.00: QD1 LEU 48 + HA CYS 45 OK 98 100 100 98 1.8-4.3 3.1/1438=45, 3.1/1437=44...(19) QD2 LEU 48 + HA CYS 45 OK 81 87 95 98 1.7-5.4 3.1/1438=45, 3.1/1437=44...(18) QG2 ILE 37 - HA CYS 45 far 12 81 15 - 4.6-10.9 QD1 LEU 49 - HA CYS 45 far 0 100 0 - 5.7-7.1 QG2 VAL 20 - HA CYS 45 far 0 83 0 - 6.1-23.8 QG1 VAL 20 - HA CYS 45 far 0 100 0 - 6.1-23.0 QD1 LEU 123 - HA CYS 45 far 0 96 0 - 7.6-11.4 QD1 LEU 22 - HA CYS 45 far 0 68 0 - 9.3-26.5 QG1 VAL 57 - HA CYS 45 far 0 60 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 9172 from aliabs.peaks (2.04, 3.89, 55.30 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.94: HB2 GLU 44 + HA ALA 46 OK 89 95 95 99 7.3-8.5 ~9188=85, ~10946=67...(7) HB2 GLN 127 + HA ALA 46 OK 48 96 95 52 4.8-8.3 3.0/2858=24...(8) HB3 GLN 27 - HA ALA 46 far 3 65 5 - 7.4-22.8 HB2 LEU 62 - HA ALA 46 far 0 81 0 - 9.7-12.7 Violated in 6 structures by 0.08 A. Peak 9173 from aliabs.peaks (0.96, 3.89, 55.30 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 126 + HA ALA 46 OK 99 100 100 99 2.7-4.9 11616/2.1=61, ~10409=44...(24) QG1 VAL 126 + HA ALA 46 OK 80 100 80 100 2.4-6.5 10409/2.1=82, ~11616=36...(25) QG2 ILE 37 - HA ALA 46 far 0 71 0 - 5.6-11.7 QD2 LEU 53 - HA ALA 46 far 0 99 0 - 6.0-9.9 QG1 VAL 57 - HA ALA 46 far 0 89 0 - 9.5-12.5 Violated in 8 structures by 0.14 A. Peak 9174 from aliabs.peaks (0.87, 3.89, 55.30 ppm; 3.74 A): 1 out of 7 assignments used, quality = 1.00: QD2 LEU 69 + HA ALA 46 OK 100 100 100 100 1.7-4.0 11060/2.1=62, 11054=60...(26) QD2 LEU 48 - HA ALA 46 poor 19 73 55 48 4.0-5.9 5.0/6578=13, 1527/1455=9...(11) QD2 LEU 123 - HA ALA 46 poor 18 97 75 25 4.3-8.4 11422/10951=12...(8) QD2 LEU 70 - HA ALA 46 far 9 93 10 - 5.0-11.1 QG2 VAL 20 - HA ALA 46 far 0 78 0 - 7.6-24.7 QG1 VAL 118 - HA ALA 46 far 0 78 0 - 8.8-13.0 QG2 VAL 57 - HA ALA 46 far 0 93 0 - 9.3-10.9 Violated in 4 structures by 0.03 A. Peak 9175 from aliabs.peaks (0.97, 1.34, 16.76 ppm; 2.78 A): 2 out of 4 assignments used, quality = 0.95: QG2 VAL 126 + QB ALA 46 OK 88 100 95 93 2.9-4.5 2.1/10409=55, 11616=39...(14) QG1 VAL 126 + QB ALA 46 OK 56 97 60 97 2.3-5.3 10409=81, 2.1/11616=35...(18) QD2 LEU 53 - QB ALA 46 far 0 100 0 - 5.6-9.0 QG1 VAL 57 - QB ALA 46 far 0 71 0 - 9.6-11.9 Violated in 16 structures by 0.26 A. Peak 9176 from aliabs.peaks (0.75, 1.34, 16.76 ppm; 3.11 A): 1 out of 8 assignments used, quality = 0.99: QD2 LEU 43 + QB ALA 46 OK 99 100 100 99 2.9-4.5 11071=75, 9129/9177=37...(20) QD1 LEU 96 - QB ALA 46 far 7 71 10 - 4.4-7.7 QD2 LEU 96 - QB ALA 46 far 5 100 5 - 4.5-8.5 QD1 ILE 37 - QB ALA 46 far 4 83 5 - 4.4-9.5 QD1 ILE 32 - QB ALA 46 far 0 83 0 - 5.3-10.7 HG12 ILE 129 - QB ALA 46 far 0 100 0 - 5.8-7.8 QG1 VAL 93 - QB ALA 46 far 0 100 0 - 6.6-8.8 QD2 LEU 103 - QB ALA 46 far 0 92 0 - 9.3-12.8 Violated in 18 structures by 0.92 A. Peak 9177 from aliabs.peaks (0.55, 1.34, 16.76 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.89: QD2 LEU 42 + QB ALA 46 OK 89 99 90 99 1.9-5.3 9129/9176=52...(21) Violated in 14 structures by 0.62 A. Peak 9178 from aliabs.peaks (-0.24, 1.34, 16.76 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9179 from aliabs.peaks (-0.51, 1.34, 16.76 ppm; 6.34 A): 0 out of 0 assignments used, quality = 0.00: Peak 9182 from aliabs.peaks (1.51, 1.34, 16.76 ppm; 4.01 A): 3 out of 4 assignments used, quality = 1.00: HG LEU 69 + QB ALA 46 OK 100 100 100 100 1.9-4.6 2.1/11063=79...(24) HG LEU 42 + QB ALA 46 OK 61 65 95 97 3.1-5.6 2.1/9177=82...(14) HB2 LEU 49 + QB ALA 46 OK 26 89 30 96 5.2-5.8 3.2/9176=36, ~10898=31...(25) HB2 LEU 53 - QB ALA 46 far 0 99 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 9183 from aliabs.peaks (1.69, 1.34, 16.76 ppm; 4.00 A): 1 out of 7 assignments used, quality = 0.91: HB2 LEU 43 + QB ALA 46 OK 91 97 95 99 4.2-5.7 3.2/9176=72, 3.0/1348=60...(15) HB2 LEU 70 - QB ALA 46 far 0 96 0 - 6.3-9.1 HG LEU 48 - QB ALA 46 far 0 83 0 - 6.7-7.7 HB3 LEU 70 - QB ALA 46 far 0 81 0 - 7.0-9.3 HD3 LYS 39 - QB ALA 46 far 0 83 0 - 8.8-11.2 HD2 LYS 39 - QB ALA 46 far 0 92 0 - 8.8-11.2 HG2 ARG 135 - QB ALA 46 far 0 99 0 - 9.5-11.2 Violated in 20 structures by 0.81 A. Peak 9184 from aliabs.peaks (1.97, 1.34, 16.76 ppm; 4.20 A): 0 out of 3 assignments used, quality = 0.00: HB3 LEU 53 - QB ALA 46 far 0 63 0 - 6.7-9.1 HB ILE 37 - QB ALA 46 far 0 100 0 - 6.9-11.3 HB2 GLN 27 - QB ALA 46 far 0 100 0 - 7.1-18.6 Violated in 20 structures by 2.90 A. Peak 9185 from aliabs.peaks (2.13, 1.34, 16.76 ppm; 4.43 A): 2 out of 3 assignments used, quality = 0.91: HB3 LEU 69 + QB ALA 46 OK 76 76 100 100 2.4-5.3 1.8/9183=78...(26) HB VAL 126 + QB ALA 46 OK 65 68 95 100 2.2-6.4 2.1/10409=98...(13) HB2 GLU 97 - QB ALA 46 far 0 100 0 - 9.5-12.4 Violated in 3 structures by 0.01 A. Peak 9186 from aliabs.peaks (2.91, 1.34, 16.76 ppm; 5.24 A): 1 out of 4 assignments used, quality = 0.81: HB2 CYS 45 + QB ALA 46 OK 81 81 100 100 3.8-5.4 4.5=100 HE2 LYS 39 - QB ALA 46 far 0 92 0 - 7.7-10.7 HE3 LYS 39 - QB ALA 46 far 0 92 0 - 8.2-11.6 HD2 ARG 135 - QB ALA 46 far 0 96 0 - 9.8-12.1 Violated in 3 structures by 0.02 A. Peak 9187 from aliabs.peaks (3.42, 1.34, 16.76 ppm; 4.57 A): 1 out of 5 assignments used, quality = 0.97: HA VAL 126 + QB ALA 46 OK 97 97 100 100 3.6-5.6 3.2/10409=88...(18) HA ILE 129 - QB ALA 46 poor 17 57 30 - 5.6-7.3 HA LYS 39 - QB ALA 46 far 0 68 0 - 6.4-8.3 HA VAL 77 - QB ALA 46 far 0 68 0 - 9.2-11.4 HB3 HIS 67 - QB ALA 46 far 0 89 0 - 9.6-11.6 Violated in 14 structures by 0.40 A. Peak 9188 from aliabs.peaks (4.06, 1.34, 16.76 ppm; 4.23 A): 1 out of 9 assignments used, quality = 0.75: HA GLU 44 + QB ALA 46 OK 75 76 100 99 4.7-5.6 2.8/9132=56, 3.6/9192=48...(13) HB THR 65 - QB ALA 46 far 0 100 0 - 6.8-8.7 HA LEU 122 - QB ALA 46 far 0 71 0 - 7.2-9.9 HA PHE 89 - QB ALA 46 far 0 81 0 - 7.4-9.8 HA LEU 96 - QB ALA 46 far 0 97 0 - 7.9-10.1 HB2 SER 74 - QB ALA 46 far 0 98 0 - 8.8-12.1 HA ALA 92 - QB ALA 46 far 0 97 0 - 9.0-10.4 HD3 PRO 81 - QB ALA 46 far 0 63 0 - 9.0-13.3 HB3 SER 74 - QB ALA 46 far 0 100 0 - 9.1-11.5 Violated in 20 structures by 0.86 A. Peak 9189 from aliabs.peaks (4.09, 3.89, 55.30 ppm; 6.80 A): 4 out of 4 assignments used, quality = 1.00: HA LEU 48 + HA ALA 46 OK 94 95 100 100 6.4-6.9 ~6560=77, 3.6/1455=60...(14) HA LEU 49 + HA ALA 46 OK 83 83 100 100 5.6-6.2 3.9/10898=95...(17) HA CYS 45 + HA ALA 46 OK 65 65 100 100 4.7-4.8 4.8=100 HB THR 65 + HA ALA 46 OK 60 76 100 79 5.8-8.0 11055/9174=61...(6) Violated in 0 structures by 0.00 A. Peak 9190 from aliabs.peaks (8.28, 1.34, 16.76 ppm; 4.00 A): 3 out of 10 assignments used, quality = 1.00: H LEU 43 + QB ALA 46 OK 95 96 100 99 4.0-5.1 2.8/1348=62...(21) H ASP 131 + QB ALA 46 OK 81 100 90 90 4.2-5.5 4.6/10508=38...(11) H LEU 49 + QB ALA 46 OK 61 71 100 86 4.7-5.3 3.2/9213=28, 4.0/9191=22...(17) H VAL 126 - QB ALA 46 far 15 100 15 - 5.2-7.3 H LEU 69 - QB ALA 46 far 8 76 10 - 5.1-7.0 H LEU 123 - QB ALA 46 far 0 99 0 - 7.6-10.0 H ALA 29 - QB ALA 46 far 0 65 0 - 8.0-16.4 H GLU 40 - QB ALA 46 far 0 96 0 - 8.1-9.4 H LEU 96 - QB ALA 46 far 0 100 0 - 8.7-10.3 H GLU 30 - QB ALA 46 far 0 99 0 - 9.4-16.8 Violated in 9 structures by 0.03 A. Peak 9191 from aliabs.peaks (8.04, 1.34, 16.76 ppm; 4.63 A): 2 out of 4 assignments used, quality = 1.00: H LEU 48 + QB ALA 46 OK 100 100 100 100 4.5-4.9 6579/6568=74...(15) H SER 130 + QB ALA 46 OK 98 98 100 100 3.0-4.4 4.2/11245=61...(18) H CYS 125 - QB ALA 46 far 0 100 0 - 7.2-9.0 H ALA 52 - QB ALA 46 far 0 87 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 9195 from aliabs.peaks (8.48, 4.11, 57.64 ppm; 4.89 A): 3 out of 6 assignments used, quality = 0.97: H LEU 100 + HA LEU 98 OK 85 85 100 100 4.6-5.5 3.1/3155=60, 7391=50...(22) H GLU 97 + HA LEU 98 OK 74 78 100 95 5.0-5.5 10021/3.7=61...(10) H ASP 47 + HA LEU 48 OK 29 31 100 95 5.0-5.4 6579/2.9=58, ~1467=48...(9) H ASP 47 - HA LEU 49 far 0 65 0 - 6.6-7.1 H HIS 4 - HA LEU 48 far 0 29 0 - 7.4-64.4 H LEU 70 - HA LEU 49 far 0 83 0 - 8.3-12.1 Violated in 0 structures by 0.00 A. Peak 9196 from aliabs.peaks (8.45, 1.89, 41.65 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.98: H ASP 47 + HB3 LEU 48 OK 98 98 100 100 4.2-6.3 3.6/6585=100...(11) H LEU 70 - HB3 LEU 48 far 0 90 0 - 9.0-14.8 H ALA 12 - HB3 LEU 48 far 0 100 0 - 9.6-38.9 Violated in 0 structures by 0.00 A. Peak 9200 from aliabs.peaks (1.23, 4.11, 57.64 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 65 + HA LEU 49 OK 100 100 100 100 2.0-4.7 11703/2.9=62, 11907=52...(28) QG2 THR 65 + HA LEU 48 OK 26 57 45 100 3.9-7.5 9441/3.7=55...(17) QG2 THR 54 - HA LEU 49 far 0 92 0 - 6.1-9.6 QG2 THR 54 - HA LEU 48 far 0 48 0 - 7.1-11.3 Violated in 1 structures by 0.02 A. Peak 9201 from aliabs.peaks (1.21, 1.89, 41.65 ppm; 5.70 A): 1 out of 2 assignments used, quality = 0.96: QG2 THR 65 + HB3 LEU 48 OK 96 96 100 100 2.5-7.2 9441/3.0=87, 9202/1.8=86...(20) QG2 THR 54 - HB3 LEU 48 far 0 65 0 - 8.6-12.5 Violated in 7 structures by 0.19 A. Peak 9202 from aliabs.peaks (1.23, 1.78, 41.65 ppm; 5.38 A): 1 out of 4 assignments used, quality = 1.00: QG2 THR 65 + HB2 LEU 48 OK 100 100 100 100 1.9-6.7 9441/3.0=89, 10991=84...(19) QG2 THR 65 - HB3 LEU 122 poor 13 66 20 - 5.2-10.5 QG2 THR 54 - HB2 LEU 48 far 0 92 0 - 8.7-12.8 QG2 THR 54 - HB3 LEU 122 far 0 55 0 - 9.0-15.1 Violated in 7 structures by 0.26 A. Peak 9203 from aliabs.peaks (1.23, 4.10, 58.01 ppm; 5.91 A): 3 out of 5 assignments used, quality = 0.98: QG2 THR 65 + HA LEU 48 OK 94 99 95 100 3.9-7.5 11703/3.6=89...(18) QG2 THR 65 + HA LEU 49 OK 54 54 100 100 2.0-4.7 11703/2.9=95...(28) QG2 THR 54 + HA LEU 49 OK 21 55 60 62 6.1-9.6 9250/6656=24...(9) QG2 THR 54 - HA LEU 48 far 10 99 10 - 7.1-11.3 QG2 THR 65 - HA GLN 104 far 0 81 0 - 7.8-13.0 Violated in 0 structures by 0.00 A. Peak 9204 from aliabs.peaks (1.21, 1.71, 26.79 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.78: QG2 THR 65 + HG LEU 48 OK 78 92 85 100 2.7-7.2 9441=72, 10957/2.1=72...(18) Violated in 6 structures by 0.41 A. Peak 9205 from aliabs.peaks (1.58, 0.90, 23.93 ppm; 4.49 A): 2 out of 17 assignments used, quality = 0.99: HG LEU 49 + QD2 LEU 48 OK 98 100 100 98 3.1-4.5 10992/10957=43...(35) HG LEU 49 + QD1 LEU 48 OK 63 65 100 96 2.1-5.9 6606/1535=20...(35) HG LEU 122 - QD2 LEU 98 far 4 40 10 - 4.6-10.3 HG LEU 123 - QD2 LEU 48 far 0 97 0 - 6.2-9.8 HG LEU 123 - QD1 LEU 48 far 0 61 0 - 6.3-11.1 HB2 LEU 103 - QD2 LEU 98 far 0 75 0 - 6.4-9.4 HG2 ARG 23 - QD1 LEU 48 far 0 58 0 - 6.5-23.4 HG13 ILE 37 - QD1 LEU 48 far 0 45 0 - 6.5-15.0 HG LEU 122 - QD1 LEU 48 far 0 34 0 - 7.1-13.9 HG2 ARG 23 - QD2 LEU 48 far 0 95 0 - 7.2-23.0 HG LEU 122 - QD2 LEU 48 far 0 63 0 - 7.6-12.5 HG13 ILE 37 - QD2 LEU 48 far 0 78 0 - 8.0-15.6 HG LEU 103 - QD2 LEU 98 far 0 61 0 - 8.1-11.2 HG2 ARG 23 - QD2 LEU 98 far 0 67 0 - 9.0-30.6 HG LEU 123 - QD2 LEU 98 far 0 70 0 - 9.4-14.2 HG LEU 103 - QD1 LEU 48 far 0 52 0 - 9.8-18.7 HG LEU 103 - QD2 LEU 48 far 0 89 0 - 9.8-17.1 Violated in 0 structures by 0.00 A. Peak 9206 from aliabs.peaks (3.87, 0.80, 26.84 ppm; 4.16 A): 5 out of 8 assignments used, quality = 0.99: HA LEU 123 + QD2 LEU 49 OK 82 90 95 95 2.3-6.0 9209/2.1=31...(28) HA ALA 46 + QD2 LEU 49 OK 68 71 100 96 1.7-2.4 2.1/9176=39, 10951=34...(24) HB3 SER 50 + QD2 LEU 49 OK 66 96 70 98 4.9-6.3 9209/2.1=36, 3.0/9218=30...(34) HD2 PRO 81 + HG13 ILE 80 OK 51 51 100 100 1.5-4.4 2478/4.1=46, ~11178=35...(38) HA LYS 86 + HG13 ILE 80 OK 44 44 100 100 2.7-4.5 9727/2.1=62...(45) HA LEU 70 - QD2 LEU 49 poor 17 93 35 53 5.1-7.5 2.9/11700=26...(11) HA2 GLY 2 - QD2 LEU 49 far 0 60 0 - 8.7-55.2 HA3 GLY 75 - HG13 ILE 80 far 0 35 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 9207 from aliabs.peaks (2.68, 0.80, 26.84 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.50: HB2 ASN 85 + HG13 ILE 80 OK 50 59 85 100 3.5-8.2 11173/3.2=94...(22) Violated in 8 structures by 0.42 A. Peak 9208 from aliabs.peaks (3.63, 0.80, 26.84 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.98: HA2 GLY 66 + QD2 LEU 49 OK 89 99 100 90 1.8-4.7 9210/2.1=22, 2.9/9434=20...(25) HA3 GLY 66 + QD2 LEU 49 OK 84 100 95 88 2.8-5.6 2.9/9434=20, 9210/2.1=19...(23) HD2 PRO 58 - QD2 LEU 49 far 0 90 0 - 9.6-12.3 Violated in 1 structures by 0.03 A. Peak 9209 from aliabs.peaks (3.87, 0.91, 23.35 ppm; 3.37 A): 3 out of 12 assignments used, quality = 0.98: HB3 SER 50 + QD1 LEU 49 OK 83 96 100 86 2.5-4.0 11339=12, 3.0/339=12...(29) HA LEU 123 + QD1 LEU 49 OK 72 90 100 79 1.8-4.7 3914=19, 3.0/3934=19...(18) HA ALA 46 + QD1 LEU 49 OK 50 71 100 70 1.9-4.2 10898/2.1=25, ~9176=19...(14) HA2 GLY 114 - QG2 VAL 63 far 0 49 0 - 5.5-12.5 HA2 GLY 2 - QD1 LEU 49 far 0 60 0 - 6.2-57.4 HA LEU 70 - QD1 LEU 49 far 0 93 0 - 6.5-9.1 HA LEU 123 - QG2 VAL 63 far 0 47 0 - 6.9-10.6 HD2 PRO 117 - QG2 VAL 63 far 0 53 0 - 7.4-14.0 HA3 GLY 2 - QD1 LEU 49 far 0 57 0 - 7.6-57.7 HA LEU 70 - QG2 VAL 63 far 0 50 0 - 9.5-10.5 HA2 GLY 114 - QD1 LEU 49 far 0 92 0 - 9.6-16.2 HA ALA 46 - QG2 VAL 63 far 0 34 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 9210 from aliabs.peaks (3.65, 0.91, 23.35 ppm; 3.97 A): 3 out of 4 assignments used, quality = 0.87: HA2 GLY 66 + QD1 LEU 49 OK 59 81 90 81 3.5-6.8 9208/2.1=32, ~9208=24...(16) HA3 GLY 66 + QD1 LEU 49 OK 51 90 70 81 4.4-6.9 9208/2.1=30, ~9208=26...(14) HA3 GLY 66 + QG2 VAL 63 OK 35 47 85 86 4.8-6.0 ~2019=21, 2.9/9433=17...(18) HA2 GLY 66 - QG2 VAL 63 far 2 40 5 - 4.5-7.1 Violated in 11 structures by 0.17 A. Peak 9218 from aliabs.peaks (0.79, 4.00, 62.52 ppm; 4.01 A): 2 out of 36 assignments used, quality = 1.00: QD2 LEU 49 + HA SER 50 OK 99 100 100 99 4.6-5.4 6621/2.9=33, 1541/4.8=27...(36) QD1 LEU 53 + HA SER 50 OK 97 100 100 97 1.9-4.6 3.1/1644=38, 3.1/1653=34...(25) QD1 LEU 122 - HB3 SER 124 poor 16 54 30 - 5.2-7.7 QD1 LEU 53 - HB3 SER 124 poor 12 61 50 39 2.4-8.4 11585/4.0=11...(15) QD1 LEU 53 - HB2 SER 124 poor 10 85 35 34 2.5-9.1 11585/7769=12...(9) QD1 LEU 122 - HA SER 50 far 10 96 10 - 5.2-8.9 QD2 LEU 122 - HA SER 50 far 5 99 5 - 5.4-9.6 QD2 LEU 119 - HA SER 50 far 0 100 0 - 5.6-13.7 QD2 LEU 122 - HB3 SER 124 far 0 58 0 - 5.7-7.5 QD2 LEU 122 - HB2 SER 124 far 0 82 0 - 5.9-8.2 QD1 LEU 122 - HB2 SER 124 far 0 78 0 - 6.0-8.3 QD1 LEU 53 - HB3 SER 51 far 0 71 0 - 6.0-8.2 QD1 ILE 32 - HA VAL 20 far 0 60 0 - 6.5-17.3 QD2 LEU 119 - HB3 SER 124 far 0 60 0 - 7.0-9.5 QD1 LEU 96 - HB2 SER 124 far 0 62 0 - 7.0-10.3 QD2 LEU 49 - HB3 SER 124 far 0 61 0 - 7.2-10.6 QD1 LEU 70 - HB3 SER 124 far 0 47 0 - 7.4-13.1 QD2 LEU 49 - HB3 SER 51 far 0 71 0 - 7.6-8.1 QD2 LEU 49 - HB2 SER 124 far 0 85 0 - 7.6-10.8 QD1 LEU 96 - HB3 SER 124 far 0 42 0 - 7.7-10.0 QD1 LEU 70 - HB2 SER 124 far 0 68 0 - 7.8-13.0 QD1 LEU 70 - HA SER 50 far 0 87 0 - 8.1-13.1 QD2 LEU 119 - HB3 SER 51 far 0 70 0 - 8.3-17.9 QD2 LEU 119 - HB2 SER 124 far 0 84 0 - 8.3-10.9 QD1 LEU 96 - HA SER 50 far 0 81 0 - 8.6-11.5 QD1 ILE 32 - HA SER 50 far 0 68 0 - 8.7-16.3 QD2 LEU 49 - HA VAL 20 far 0 94 0 - 9.0-23.3 QD1 ILE 37 - HA VAL 20 far 0 60 0 - 9.1-24.3 QG2 ILE 129 - HA SER 50 far 0 57 0 - 9.1-11.7 QG2 ILE 129 - HB2 SER 124 far 0 43 0 - 9.1-10.7 QD1 ILE 32 - HB3 SER 51 far 0 41 0 - 9.2-17.8 QD1 LEU 122 - HB3 SER 51 far 0 64 0 - 9.4-12.3 QD1 ILE 37 - HA SER 50 far 0 68 0 - 9.6-17.0 QG2 ILE 129 - HB3 SER 124 far 0 28 0 - 9.8-11.1 QD2 LEU 122 - HB3 SER 51 far 0 68 0 - 9.9-13.4 QD1 LEU 103 - HB3 SER 124 far 0 53 0 - 10.0-12.1 Violated in 3 structures by 0.04 A. Peak 9229 from aliabs.peaks (0.93, 4.13, 54.29 ppm; 4.22 A): 2 out of 11 assignments used, quality = 0.99: QG1 VAL 57 + HA ALA 52 OK 99 99 100 100 3.6-4.5 9307=97, 9312/2.1=89...(19) QD1 LEU 123 + HA ALA 52 OK 29 98 40 74 4.8-8.9 10347/9230=41...(13) QG1 VAL 20 - HA ALA 52 far 10 68 15 - 3.7-27.7 QD1 LEU 62 - HA ALA 52 far 4 81 5 - 5.0-10.1 QD1 LEU 119 - HA ALA 52 far 0 100 0 - 5.9-14.8 QD1 LEU 49 - HA ALA 52 far 0 78 0 - 6.0-7.3 QD1 LEU 48 - HA ALA 52 far 0 71 0 - 6.4-8.3 QG1 VAL 126 - HA ALA 52 far 0 78 0 - 8.8-11.6 QG2 VAL 126 - HA ALA 52 far 0 63 0 - 8.9-11.9 QG2 VAL 112 - HA ALA 52 far 0 97 0 - 9.3-18.2 QG2 VAL 63 - HA ALA 52 far 0 73 0 - 9.5-13.0 Violated in 7 structures by 0.04 A. Peak 9230 from aliabs.peaks (0.67, 4.13, 54.29 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.25: QD2 LEU 62 + HA ALA 52 OK 25 100 25 100 4.5-7.8 9232/2.1=96...(12) QD2 LEU 100 - HA ALA 52 far 0 100 0 - 7.9-15.5 Violated in 19 structures by 1.98 A. Peak 9231 from aliabs.peaks (0.90, 1.48, 18.03 ppm; 2.88 A): 1 out of 12 assignments used, quality = 0.25: QD2 LEU 48 + QB ALA 52 OK 25 98 50 51 2.3-6.3 10957/9440=14...(15) QD1 LEU 62 - QB ALA 52 poor 20 98 20 - 2.7-7.4 QD1 LEU 123 - QB ALA 52 poor 15 81 45 41 2.7-7.5 10347/9232=22...(11) QD1 LEU 49 - QB ALA 52 far 15 99 15 - 3.9-5.2 QD1 LEU 48 - QB ALA 52 poor 15 100 30 49 3.9-6.1 1535/9247=10...(16) QD2 LEU 123 - QB ALA 52 poor 10 78 35 36 3.3-5.9 10348/9232=10...(13) QG1 VAL 20 - QB ALA 52 far 5 100 5 - 2.4-22.2 QG2 VAL 20 - QB ALA 52 far 5 97 5 - 2.9-20.3 QG2 VAL 63 - QB ALA 52 far 0 99 0 - 6.6-9.5 QG1 VAL 118 - QB ALA 52 far 0 97 0 - 6.6-12.8 QD1 LEU 22 - QB ALA 52 far 0 89 0 - 7.6-22.2 QG2 VAL 112 - QB ALA 52 far 0 85 0 - 7.8-14.9 Violated in 15 structures by 1.53 A. Peak 9232 from aliabs.peaks (0.66, 1.48, 18.03 ppm; 3.04 A): 1 out of 3 assignments used, quality = 0.52: QD2 LEU 62 + QB ALA 52 OK 52 97 55 97 2.3-5.6 10996=70, 9319/9317=43...(18) QD2 LEU 100 - QB ALA 52 far 0 95 0 - 5.3-11.6 QD1 ILE 129 - QB ALA 52 far 0 92 0 - 10.0-11.9 Violated in 18 structures by 1.37 A. Peak 9238 from aliabs.peaks (2.00, 4.13, 54.29 ppm; 4.18 A): 2 out of 7 assignments used, quality = 0.96: HB2 GLU 55 + HA ALA 52 OK 87 97 90 100 2.0-6.7 11905=70, 1.8/11904=64...(15) HB3 LEU 53 + HA ALA 52 OK 69 99 75 93 5.3-5.8 6665/3.6=54, 4.6/6674=34...(11) HB VAL 20 - HA ALA 52 far 15 100 15 - 4.6-32.5 HG2 PRO 56 - HA ALA 52 far 0 99 0 - 7.2-9.2 HB3 PRO 56 - HA ALA 52 far 0 100 0 - 7.9-10.0 HG3 PRO 56 - HA ALA 52 far 0 97 0 - 8.0-10.4 HG2 PRO 58 - HA ALA 52 far 0 68 0 - 8.8-11.7 Violated in 11 structures by 0.29 A. Peak 9239 from aliabs.peaks (2.38, 4.13, 54.29 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.94: HG3 GLU 55 + HA ALA 52 OK 94 96 100 99 2.1-5.9 3.0/11905=72...(11) HG3 GLN 61 - HA ALA 52 far 12 78 15 - 5.3-10.4 Violated in 4 structures by 0.14 A. Peak 9240 from aliabs.peaks (1.94, 1.48, 18.03 ppm; 3.60 A): 2 out of 6 assignments used, quality = 0.87: HG LEU 53 + QB ALA 52 OK 68 99 80 86 3.6-5.4 1662/6662=31...(15) HB3 LEU 49 + QB ALA 52 OK 60 65 100 92 3.6-4.7 3.9/9247=33, 3.0/1631=25...(22) HB2 GLN 27 - QB ALA 52 far 4 76 5 - 2.3-22.3 HB2 GLU 30 - QB ALA 52 far 0 100 0 - 6.7-20.9 HG2 PRO 113 - QB ALA 52 far 0 97 0 - 7.3-16.4 HB2 PRO 58 - QB ALA 52 far 0 99 0 - 7.8-9.4 Violated in 14 structures by 0.21 A. Peak 9241 from aliabs.peaks (2.06, 1.48, 18.03 ppm; 3.85 A): 3 out of 9 assignments used, quality = 0.90: HB2 LEU 62 + QB ALA 52 OK 55 100 60 92 4.4-6.5 3.1/9232=70, ~9230=26...(9) HB VAL 57 + QB ALA 52 OK 54 57 95 100 3.6-5.4 2.1/9317=87, 2.1/9312=83...(18) HB3 GLU 55 + QB ALA 52 OK 49 87 60 94 2.7-6.7 11904/2.1=40, ~11905=37...(10) HB3 GLN 27 - QB ALA 52 far 10 100 10 - 1.9-23.0 HG3 PRO 113 - QB ALA 52 far 0 100 0 - 5.8-16.6 HG3 PRO 58 - QB ALA 52 far 0 100 0 - 6.3-7.9 HB2 GLN 127 - QB ALA 52 far 0 97 0 - 7.6-10.8 HB VAL 118 - QB ALA 52 far 0 99 0 - 8.6-16.4 HB3 GLU 44 - QB ALA 52 far 0 95 0 - 9.6-11.7 Violated in 11 structures by 0.20 A. Peak 9242 from aliabs.peaks (2.39, 1.48, 18.03 ppm; 4.69 A): 2 out of 3 assignments used, quality = 0.95: HG3 GLN 61 + QB ALA 52 OK 80 87 95 96 3.4-7.1 10936/9317=59...(9) HG3 GLU 55 + QB ALA 52 OK 76 90 85 99 3.0-6.9 9239/2.1=70, ~10909=55...(12) HB3 PRO 58 - QB ALA 52 far 0 83 0 - 8.2-9.4 Violated in 4 structures by 0.09 A. Peak 9243 from aliabs.peaks (3.87, 1.48, 18.03 ppm; 4.38 A): 0 out of 6 assignments used, quality = 0.00: HB3 SER 50 - QB ALA 52 far 0 100 0 - 6.0-6.7 HA LEU 123 - QB ALA 52 far 0 76 0 - 6.5-9.0 HA ALA 46 - QB ALA 52 far 0 87 0 - 7.0-7.8 HA2 GLY 114 - QB ALA 52 far 0 99 0 - 7.7-13.4 HA2 GLY 2 - QB ALA 52 far 0 78 0 - 7.7-55.8 HA3 GLY 2 - QB ALA 52 far 0 76 0 - 8.7-56.0 Violated in 20 structures by 1.27 A. Peak 9244 from aliabs.peaks (3.91, 4.13, 54.29 ppm; 5.39 A): 1 out of 5 assignments used, quality = 0.58: HB2 SER 51 + HA ALA 52 OK 58 63 100 92 4.0-5.6 6649/2.9=56, 9219/3.6=39...(8) HD3 PRO 113 - HA ALA 52 far 0 78 0 - 7.9-19.8 HA2 GLY 2 - HA ALA 52 far 0 87 0 - 8.3-69.2 HA2 GLY 14 - HA ALA 52 far 0 100 0 - 8.7-37.5 HA3 GLY 2 - HA ALA 52 far 0 89 0 - 9.1-69.4 Violated in 5 structures by 0.04 A. Peak 9247 from aliabs.peaks (8.29, 1.48, 18.03 ppm; 4.53 A): 1 out of 8 assignments used, quality = 0.94: H LEU 49 + QB ALA 52 OK 94 95 100 99 4.2-4.9 2.9/1631=36, 6604=34...(28) H ALA 21 - QB ALA 52 far 4 71 5 - 5.6-25.8 H GLU 30 - QB ALA 52 far 0 83 0 - 6.8-19.5 H ARG 23 - QB ALA 52 far 0 68 0 - 7.3-23.7 H LEU 123 - QB ALA 52 far 0 83 0 - 7.4-10.8 H LEU 69 - QB ALA 52 far 0 97 0 - 8.1-10.8 H ALA 110 - QB ALA 52 far 0 63 0 - 9.3-19.4 H VAL 126 - QB ALA 52 far 0 99 0 - 9.3-11.7 Violated in 15 structures by 0.12 A. Peak 9252 from aliabs.peaks (0.68, 4.18, 56.53 ppm; 4.06 A): 1 out of 2 assignments used, quality = 0.95: QD2 LEU 62 + HA LEU 53 OK 95 100 95 100 2.8-5.6 10038=98, 10338/1679=58...(16) QD2 LEU 100 - HA LEU 53 far 5 100 5 - 5.3-12.3 Violated in 14 structures by 0.44 A. Peak 9253 from aliabs.peaks (0.68, 1.94, 27.00 ppm; 6.63 A): 1 out of 2 assignments used, quality = 0.98: QD2 LEU 62 + HG LEU 53 OK 98 98 100 100 2.4-7.6 10038/4.3=94, ~11809=82...(24) QD2 LEU 100 - HG LEU 53 lone 5 99 40 13 3.9-13.3 9432/9442=3...(5) Violated in 4 structures by 0.09 A. Peak 9254 from aliabs.peaks (3.87, 0.97, 25.20 ppm; 4.00 A): 1 out of 8 assignments used, quality = 0.24: HA LEU 123 + QD2 LEU 53 OK 24 76 50 63 4.5-6.6 2.9/11818=27...(10) HB3 SER 50 - QD2 LEU 53 far 15 100 15 - 4.2-8.0 HA2 GLY 114 - QD2 LEU 53 far 0 99 0 - 5.7-14.0 HA ALA 46 - QD2 LEU 53 far 0 87 0 - 6.0-9.9 HA2 GLY 2 - QD2 LEU 53 far 0 78 0 - 7.7-56.6 HD2 PRO 117 - QD2 LEU 53 far 0 87 0 - 8.6-14.4 HA3 GLY 2 - QD2 LEU 53 far 0 76 0 - 8.8-57.5 HA LEU 70 - QD2 LEU 53 far 0 99 0 - 9.2-14.8 Violated in 20 structures by 1.43 A. Peak 9255 from aliabs.peaks (2.94, 0.97, 25.20 ppm; 4.68 A): 0 out of 6 assignments used, quality = 0.00: HB3 ASN 116 - QD2 LEU 53 far 10 99 10 - 5.7-14.1 HE2 LYS 26 - QD2 LEU 53 far 0 87 0 - 8.6-22.8 HB2 CYS 45 - QD2 LEU 53 far 0 99 0 - 8.8-13.4 HE3 LYS 26 - QD2 LEU 53 far 0 81 0 - 9.2-21.3 HE3 LYS 24 - QD2 LEU 53 far 0 99 0 - 9.2-24.9 HE3 LYS 36 - QD2 LEU 53 far 0 85 0 - 10.0-20.6 Violated in 20 structures by 3.68 A. Peak 9256 from aliabs.peaks (2.28, 0.97, 25.20 ppm; 4.83 A): 0 out of 5 assignments used, quality = 0.00: HG2 GLN 61 - QD2 LEU 53 poor 19 100 40 48 3.3-11.2 1.8/11408=21, 9377=10...(6) HB3 PRO 113 - QD2 LEU 53 far 10 100 10 - 4.9-16.2 HG3 GLU 30 - QD2 LEU 53 far 0 63 0 - 6.6-22.5 HG2 GLU 30 - QD2 LEU 53 far 0 99 0 - 7.0-23.0 HB3 GLN 101 - QD2 LEU 53 far 0 81 0 - 9.0-17.5 Violated in 16 structures by 2.33 A. Peak 9257 from aliabs.peaks (2.95, 0.79, 26.16 ppm; 6.34 A): 2 out of 10 assignments used, quality = 0.57: HB3 ASN 121 + QD2 LEU 122 OK 46 46 100 99 2.8-6.2 11092/2.1=82, ~10323=51...(17) HB3 ASN 121 + QD1 LEU 53 OK 21 63 70 48 6.1-9.6 10299/7667=15...(9) HB3 ASN 116 - QD1 LEU 53 poor 18 90 20 - 5.2-12.9 HB3 ASN 116 - QD2 LEU 122 poor 12 70 35 50 5.9-10.2 10285/1677=16...(11) HB2 CYS 45 - QD2 LEU 122 far 4 73 5 - 7.8-11.3 HB2 CYS 45 - QD1 LEU 53 far 0 93 0 - 8.5-12.9 HE2 LYS 26 - QD1 LEU 53 far 0 97 0 - 9.3-22.8 HE3 LYS 36 - QD2 LEU 122 far 0 77 0 - 9.5-16.3 HE2 LYS 36 - QD2 LEU 122 far 0 77 0 - 9.8-15.1 HE3 LYS 31 - QD2 LEU 122 far 0 83 0 - 10.0-18.6 Violated in 0 structures by 0.00 A. Peak 9258 from aliabs.peaks (3.40, 0.79, 26.16 ppm; 5.12 A): 1 out of 2 assignments used, quality = 0.27: HB3 HIS 67 + QD2 LEU 122 OK 27 81 55 61 5.2-8.7 9468=17, 1.8/9465=12...(11) HB3 HIS 67 - QD1 LEU 53 far 5 99 5 - 6.3-14.5 Violated in 20 structures by 1.52 A. Peak 9259 from aliabs.peaks (4.34, 0.79, 26.16 ppm; 4.53 A): 1 out of 15 assignments used, quality = 0.26: HA CYS 125 + QD2 LEU 122 OK 26 65 40 99 5.1-8.5 3.0/11828=48, 10378=37...(25) HA ASN 59 - QD2 LEU 122 poor 6 83 25 31 5.5-10.0 1880/9395=10...(11) HA CYS 125 - QD1 LEU 53 far 4 85 5 - 6.0-9.0 HA ASP 47 - QD1 LEU 53 far 0 100 0 - 6.1-8.6 HA ASN 59 - QD1 LEU 53 far 0 100 0 - 6.1-11.5 HA PRO 117 - QD2 LEU 122 far 0 48 0 - 6.2-9.8 HA LEU 69 - QD2 LEU 122 far 0 77 0 - 6.6-9.9 HA LEU 69 - QD1 LEU 53 far 0 97 0 - 6.8-12.4 HA PRO 117 - QD1 LEU 53 far 0 65 0 - 7.0-12.1 HA PRO 113 - QD2 LEU 122 far 0 46 0 - 7.1-13.3 HA PRO 113 - QD1 LEU 53 far 0 63 0 - 8.3-15.0 HA ASP 47 - QD2 LEU 122 far 0 84 0 - 8.4-12.8 HA ASP 131 - QD1 LEU 53 far 0 60 0 - 8.7-13.0 HA LYS 24 - QD2 LEU 122 far 0 80 0 - 9.5-21.9 HA LYS 24 - QD1 LEU 53 far 0 99 0 - 9.8-22.0 Violated in 20 structures by 2.05 A. Peak 9260 from aliabs.peaks (4.35, 0.97, 25.20 ppm; 4.87 A): 0 out of 7 assignments used, quality = 0.00: HA ASN 59 - QD2 LEU 53 poor 11 95 40 29 5.2-11.4 9387/10338=27, 10700/1683=3 HA ASP 47 - QD2 LEU 53 far 10 97 10 - 6.1-9.9 HA PRO 117 - QD2 LEU 53 far 9 89 10 - 6.2-12.7 HA PRO 113 - QD2 LEU 53 far 9 87 10 - 5.8-14.6 HA CYS 125 - QD2 LEU 53 far 5 98 5 - 6.0-11.4 HA LYS 24 - QD2 LEU 53 far 0 87 0 - 7.4-23.5 HA LEU 69 - QD2 LEU 53 far 0 100 0 - 8.8-14.3 Violated in 20 structures by 0.95 A. Peak 9263 from aliabs.peaks (4.18, 1.24, 21.56 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.73: HA LEU 53 + QG2 THR 54 OK 73 100 80 92 4.8-5.6 3.6/6684=58, 3.8/9278=34...(10) HA GLU 128 - QG2 THR 54 far 0 97 0 - 8.2-13.3 HB THR 25 - QG2 THR 54 far 0 99 0 - 9.3-25.2 HB THR 18 - QG2 THR 54 far 0 100 0 - 9.5-33.3 Violated in 20 structures by 1.23 A. Peak 9269 from aliabs.peaks (2.04, 4.42, 61.58 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: HB3 GLU 55 + HA THR 54 OK 100 100 100 100 5.1-6.5 6693/3.6=100, ~9268=68...(11) HB2 GLN 127 - HA THR 54 poor 20 100 20 - 6.9-12.1 HG3 PRO 113 - HA THR 54 far 5 93 5 - 5.8-19.6 HB2 LEU 62 - HA THR 54 far 5 93 5 - 8.1-11.5 HB VAL 118 - HA THR 54 far 0 78 0 - 8.6-16.6 Violated in 0 structures by 0.00 A. Peak 9272 from aliabs.peaks (1.97, 1.24, 21.56 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.79: HB3 LEU 53 + QG2 THR 54 OK 63 71 95 94 3.3-5.8 3.0/9263=67, 4.6/6684=49...(6) HB2 GLU 55 + QG2 THR 54 OK 43 78 60 91 2.8-6.8 3.8/6690=52, 3.0/9288=38...(9) HB2 GLN 27 - QG2 THR 54 far 0 100 0 - 8.0-28.0 Violated in 4 structures by 0.12 A. Peak 9275 from aliabs.peaks (0.90, 1.24, 21.56 ppm; 3.17 A): 1 out of 11 assignments used, quality = 0.21: QD1 LEU 123 + QG2 THR 54 OK 21 78 45 60 2.4-6.4 2.1/11510=21, 11584=19...(10) QD2 LEU 123 - QG2 THR 54 poor 16 81 30 65 3.6-8.6 11510=22, 2.1/11640=20...(12) QD1 LEU 49 - QG2 THR 54 far 5 98 5 - 4.7-8.2 QG2 VAL 20 - QG2 THR 54 far 0 97 0 - 5.6-24.6 QG1 VAL 118 - QG2 THR 54 far 0 97 0 - 6.3-13.4 QD1 LEU 62 - QG2 THR 54 far 0 97 0 - 6.5-10.4 QD2 LEU 48 - QG2 THR 54 far 0 99 0 - 6.5-11.9 QG1 VAL 20 - QG2 THR 54 far 0 100 0 - 7.0-26.2 QD1 LEU 48 - QG2 THR 54 far 0 99 0 - 7.4-11.2 QG2 VAL 112 - QG2 THR 54 far 0 83 0 - 9.4-16.3 QD1 LEU 22 - QG2 THR 54 far 0 90 0 - 9.7-26.3 Violated in 16 structures by 1.66 A. Peak 9277 from aliabs.peaks (0.92, 4.42, 61.58 ppm; 5.84 A): 2 out of 11 assignments used, quality = 0.96: QD1 LEU 123 + HA THR 54 OK 95 97 100 98 2.1-7.1 9275/1698=52, 11568=43...(10) QD1 LEU 119 + HA THR 54 OK 25 76 50 66 4.2-12.3 ~3789=16, ~9278=16...(8) QD1 LEU 49 - HA THR 54 poor 9 100 30 29 5.9-9.4 ~6679=8, 1584/11567=7...(5) QG1 VAL 57 - HA THR 54 far 7 65 10 - 7.3-8.3 QG2 VAL 20 - HA THR 54 far 4 78 5 - 6.2-30.3 QG1 VAL 118 - HA THR 54 far 4 78 5 - 7.3-13.2 QD1 LEU 62 - HA THR 54 lone 2 100 30 8 6.1-11.3 3925/3918=3...(3) QG1 VAL 20 - HA THR 54 far 0 99 0 - 7.9-32.4 QD2 LEU 48 - HA THR 54 far 0 83 0 - 8.7-13.1 QG2 VAL 112 - HA THR 54 far 0 99 0 - 9.0-18.0 QD1 LEU 48 - HA THR 54 far 0 99 0 - 9.5-12.4 Violated in 5 structures by 0.05 A. Peak 9278 from aliabs.peaks (0.78, 1.24, 21.56 ppm; 4.28 A): 2 out of 7 assignments used, quality = 0.74: QD1 LEU 53 + QG2 THR 54 OK 67 97 75 93 3.1-6.2 3.8/9263=59, 4.6/6684=52...(9) QD2 LEU 119 + QG2 THR 54 OK 21 99 30 72 4.8-13.1 11621/9263=50...(10) QD2 LEU 122 - QG2 THR 54 far 0 100 0 - 6.3-11.3 QD1 LEU 122 - QG2 THR 54 far 0 73 0 - 6.5-11.1 QD2 LEU 49 - QG2 THR 54 far 0 92 0 - 6.8-9.9 QD1 LEU 103 - QG2 THR 54 far 0 100 0 - 9.4-14.6 QD1 LEU 96 - QG2 THR 54 far 0 98 0 - 9.7-14.1 Violated in 17 structures by 0.67 A. Peak 9281 from aliabs.peaks (3.65, 1.99, 30.10 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HB2 GLU 55 OK 100 100 100 100 2.0-4.0 4.8=64, 9282/1.8=39...(31) HD3 PRO 56 + HB2 GLU 55 OK 99 99 100 100 3.1-4.9 4.8=64, 9282/1.8=39...(31) Violated in 0 structures by 0.00 A. Peak 9282 from aliabs.peaks (3.65, 2.04, 30.10 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HB3 GLU 55 OK 100 100 100 100 1.7-4.3 4.8=62, 4.8/6693=42...(36) HD3 PRO 56 + HB3 GLU 55 OK 99 99 100 100 2.9-5.1 4.8=62, 4.8/6693=42...(35) Violated in 0 structures by 0.00 A. Peak 9283 from aliabs.peaks (3.65, 2.45, 33.76 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: HD3 PRO 56 + HG2 GLU 55 OK 100 100 100 100 3.7-5.7 4.8/6694=44, 10912=43...(34) HD2 PRO 56 + HG2 GLU 55 OK 98 98 100 100 3.0-4.9 4.8/6694=44, 10912=36...(34) HD2 PRO 58 - HG2 GLU 55 far 0 57 0 - 6.2-10.4 Violated in 6 structures by 0.07 A. Peak 9284 from aliabs.peaks (3.65, 2.37, 33.76 ppm; 4.42 A): 2 out of 3 assignments used, quality = 1.00: HD3 PRO 56 + HG3 GLU 55 OK 100 100 100 100 3.1-5.8 9291=52, 4.8/6695=47...(36) HD2 PRO 56 + HG3 GLU 55 OK 98 98 100 100 2.1-5.3 4.8/6695=47, 9291=45...(37) HD2 PRO 58 - HG3 GLU 55 far 0 57 0 - 6.5-10.2 Violated in 2 structures by 0.02 A. Peak 9285 from aliabs.peaks (3.83, 2.45, 33.76 ppm; 6.42 A): 2 out of 6 assignments used, quality = 0.45: HD2 PRO 81 + HG3 GLN 82 OK 29 35 85 99 4.9-8.4 ~11247=67, ~11246=58...(15) HD2 PRO 81 + HG2 GLN 82 OK 23 27 85 99 4.0-9.0 ~11247=67, ~11246=58...(15) HD3 PRO 58 - HG2 GLU 55 far 10 99 10 - 7.1-10.8 HA LEU 62 - HG2 GLU 55 far 0 99 0 - 8.0-12.7 HB2 SER 50 - HG2 GLU 55 far 0 100 0 - 8.6-12.0 HB2 SER 9 - HG2 GLU 55 far 0 92 0 - 9.4-50.8 Violated in 5 structures by 0.17 A. Peak 9286 from aliabs.peaks (3.88, 2.37, 33.76 ppm; 5.25 A): 0 out of 4 assignments used, quality = 0.00: HB3 SER 50 - HG3 GLU 55 far 0 100 0 - 7.9-11.6 HA2 GLY 2 - HG3 GLU 55 far 0 93 0 - 8.1-72.3 HA3 GLY 2 - HG3 GLU 55 far 0 92 0 - 8.2-72.4 HA2 GLY 114 - HG3 GLU 55 far 0 100 0 - 9.2-15.7 Violated in 20 structures by 3.97 A. Peak 9287 from aliabs.peaks (1.58, 2.45, 33.76 ppm; 5.92 A): 0 out of 3 assignments used, quality = 0.00: HG LEU 123 - HG2 GLU 55 far 4 89 5 - 7.0-11.5 HG2 ARG 23 - HG2 GLU 55 far 4 83 5 - 6.7-32.8 HG LEU 49 - HG2 GLU 55 far 0 97 0 - 9.5-12.9 Violated in 20 structures by 2.67 A. Peak 9288 from aliabs.peaks (1.23, 2.45, 33.76 ppm; 5.16 A): 1 out of 6 assignments used, quality = 0.88: QG2 THR 54 + HG2 GLU 55 OK 88 90 100 97 2.4-5.7 4.2/6694=71, 9289/1.8=51...(6) QG2 THR 83 - HG3 GLN 82 poor 14 57 25 - 4.8-7.5 QG2 THR 83 - HG2 GLN 82 far 7 44 15 - 6.2-7.9 HG12 ILE 80 - HG3 GLN 82 far 3 50 5 - 5.6-10.0 HG12 ILE 80 - HG2 GLN 82 far 2 39 5 - 5.7-10.8 QG2 THR 65 - HG2 GLU 55 far 0 100 0 - 7.8-12.1 Violated in 6 structures by 0.08 A. Peak 9289 from aliabs.peaks (1.21, 2.37, 33.76 ppm; 6.21 A): 1 out of 2 assignments used, quality = 0.63: QG2 THR 54 + HG3 GLU 55 OK 63 63 100 100 1.9-6.4 9288/1.8=93, 4.2/6695=89...(6) QG2 THR 65 - HG3 GLU 55 far 0 95 0 - 7.8-11.2 Violated in 1 structures by 0.01 A. Peak 9291 from aliabs.peaks (2.36, 3.65, 49.73 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 55 + HD3 PRO 56 OK 98 98 100 100 3.1-5.8 9284=46, 6695/4.8=44...(36) HG3 GLU 55 + HD2 PRO 56 OK 85 85 100 100 2.1-5.3 9284=45, 6695/4.8=44...(37) Violated in 5 structures by 0.04 A. Peak 9292 from aliabs.peaks (0.93, 3.65, 49.73 ppm; 4.85 A): 2 out of 12 assignments used, quality = 0.99: QG1 VAL 57 + HD3 PRO 56 OK 96 97 100 99 5.4-6.3 10920/3.6=64...(15) QG1 VAL 57 + HD2 PRO 56 OK 83 83 100 100 4.4-5.3 10920/3.6=64...(18) QD1 LEU 119 - HD2 PRO 56 far 9 87 10 - 5.8-14.6 QD1 LEU 119 - HD3 PRO 56 poor 5 99 25 22 5.3-13.8 10917/3.6=11...(4) QG2 VAL 112 - HD3 PRO 56 far 5 99 5 - 6.1-16.3 QG1 VAL 20 - HD3 PRO 56 far 4 76 5 - 5.3-34.3 QG1 VAL 20 - HD2 PRO 56 far 3 62 5 - 3.8-33.1 QG2 VAL 112 - HD2 PRO 56 far 0 86 0 - 6.7-16.6 QD1 LEU 62 - HD2 PRO 56 far 0 72 0 - 7.3-11.8 QD1 LEU 62 - HD3 PRO 56 far 0 87 0 - 7.3-12.0 QD1 LEU 123 - HD3 PRO 56 far 0 99 0 - 7.6-11.7 QD1 LEU 123 - HD2 PRO 56 far 0 88 0 - 7.9-11.9 Violated in 6 structures by 0.03 A. Peak 9294 from aliabs.peaks (0.92, 2.45, 33.76 ppm; 4.24 A): 1 out of 9 assignments used, quality = 0.43: QG1 VAL 57 + HG2 GLU 55 OK 43 85 60 85 2.8-6.4 9307/10909=34...(9) QD1 LEU 123 - HG2 GLU 55 far 10 100 10 - 5.5-9.4 QG1 VAL 20 - HG2 GLU 55 far 9 92 10 - 4.5-30.0 QD1 LEU 62 - HG2 GLU 55 far 5 97 5 - 5.6-12.6 QD1 LEU 119 - HG2 GLU 55 far 0 92 0 - 5.8-14.4 QD2 LEU 48 - HG2 GLU 55 far 0 63 0 - 6.2-11.9 QD1 LEU 49 - HG2 GLU 55 far 0 97 0 - 6.9-10.7 QD1 LEU 48 - HG2 GLU 55 far 0 93 0 - 8.2-10.9 QG2 VAL 112 - HG2 GLU 55 far 0 100 0 - 9.8-18.5 Violated in 13 structures by 0.83 A. Peak 9302 from aliabs.peaks (3.63, 2.09, 32.84 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.99: HD2 PRO 58 + HB VAL 57 OK 99 99 100 100 1.8-3.1 9309/2.1=77, 9306/2.1=57...(26) HD3 PRO 56 - HB VAL 57 far 0 81 0 - 8.0-8.5 HA3 GLY 66 - HB VAL 57 far 0 99 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9303 from aliabs.peaks (3.82, 2.09, 32.84 ppm; 4.06 A): 2 out of 5 assignments used, quality = 1.00: HD3 PRO 58 + HB VAL 57 OK 100 100 100 100 3.3-4.3 9308/2.1=84, 1.8/9302=79...(24) HA LEU 62 + HB VAL 57 OK 75 96 90 88 4.4-5.9 3.9/10922=40...(11) HA LEU 123 - HB VAL 57 far 0 63 0 - 8.8-13.7 HB2 SER 9 - HB VAL 57 far 0 97 0 - 9.9-51.3 HB3 SER 9 - HB VAL 57 far 0 73 0 - 9.9-49.7 Violated in 0 structures by 0.00 A. Peak 9304 from aliabs.peaks (4.14, 0.86, 19.34 ppm; 3.63 A): 1 out of 3 assignments used, quality = 0.97: HA ALA 52 + QG2 VAL 57 OK 97 97 100 100 2.9-4.6 2.1/9317=82, 10908=57...(16) HA3 GLY 114 - QG2 VAL 57 lone 0 87 25 1 3.5-11.0 HA CYS 45 - QG2 VAL 57 far 0 65 0 - 10.0-11.9 Violated in 14 structures by 0.34 A. Peak 9305 from aliabs.peaks (3.83, 0.86, 19.34 ppm; 3.62 A): 2 out of 7 assignments used, quality = 0.99: HD3 PRO 58 + QG2 VAL 57 OK 96 97 100 100 4.5-4.9 9308/2.1=70, 1.8/9306=54...(26) HA LEU 62 + QG2 VAL 57 OK 85 100 90 95 3.6-5.6 3.9/9319=49, 3.7/9316=48...(14) HA LEU 123 - QG2 VAL 57 far 0 81 0 - 6.7-10.1 HA VAL 118 - QG2 VAL 57 far 0 71 0 - 8.5-14.2 HB2 SER 50 - QG2 VAL 57 far 0 99 0 - 8.7-9.5 HD2 PRO 117 - QG2 VAL 57 far 0 68 0 - 8.9-16.4 HB2 SER 9 - QG2 VAL 57 far 0 87 0 - 9.0-43.0 Violated in 18 structures by 0.37 A. Peak 9306 from aliabs.peaks (3.62, 0.86, 19.34 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: HD2 PRO 58 + QG2 VAL 57 OK 100 100 100 100 3.6-4.3 9309/2.1=75, 9302/2.1=63...(28) HD3 PRO 56 + QG2 VAL 57 OK 29 71 45 92 4.9-5.9 3.6/10919=41...(15) HA3 GLY 66 - QG2 VAL 57 far 0 96 0 - 7.4-9.8 HA2 GLY 66 - QG2 VAL 57 far 0 99 0 - 7.9-10.1 Violated in 7 structures by 0.06 A. Peak 9307 from aliabs.peaks (4.13, 0.94, 21.27 ppm; 3.73 A): 1 out of 8 assignments used, quality = 0.99: HA ALA 52 + QG1 VAL 57 OK 99 99 100 100 3.6-4.5 2.1/9312=79, 9304/2.1=57...(18) HA GLN 101 - QG1 VAL 105 poor 15 50 30 - 2.7-7.3 HA LEU 49 - QG1 VAL 57 far 4 87 5 - 5.2-7.8 HA LEU 98 - QG1 VAL 105 far 0 50 0 - 5.9-10.7 HA3 GLY 114 - QG1 VAL 57 far 0 100 0 - 5.9-12.5 HA LEU 48 - QG1 VAL 57 far 0 71 0 - 7.7-9.7 HA CYS 45 - QG1 VAL 57 far 0 97 0 - 9.5-12.7 HA ILE 32 - QG1 VAL 57 far 0 87 0 - 9.7-22.2 Violated in 17 structures by 0.44 A. Peak 9308 from aliabs.peaks (3.82, 0.94, 21.27 ppm; 3.45 A): 1 out of 9 assignments used, quality = 1.00: HD3 PRO 58 + QG1 VAL 57 OK 100 100 100 100 2.9-3.8 1.8/9309=73, 3.9=68...(24) HA LEU 62 - QG1 VAL 57 far 0 96 0 - 5.0-6.3 HB3 SER 9 - QG1 VAL 105 far 0 42 0 - 6.5-48.2 HB2 SER 9 - QG1 VAL 57 far 0 97 0 - 6.6-42.4 HB3 SER 9 - QG1 VAL 57 far 0 73 0 - 6.8-41.1 HB2 SER 9 - QG1 VAL 105 far 0 61 0 - 7.7-49.3 HA LEU 123 - QG1 VAL 57 far 0 63 0 - 8.0-12.3 HA VAL 118 - QG1 VAL 105 far 0 52 0 - 9.6-14.0 HB2 SER 50 - QG1 VAL 57 far 0 100 0 - 9.8-11.1 Violated in 3 structures by 0.03 A. Peak 9309 from aliabs.peaks (3.62, 0.94, 21.27 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: HD2 PRO 58 + QG1 VAL 57 OK 100 100 100 100 1.9-2.9 1.8/9308=70, 3.9=66...(28) HA2 GLY 66 - QG1 VAL 105 far 0 59 0 - 8.7-13.6 HA3 GLY 66 - QG1 VAL 57 far 0 87 0 - 9.1-10.6 HA3 GLY 66 - QG1 VAL 105 far 0 52 0 - 9.3-12.3 HA2 GLY 66 - QG1 VAL 57 far 0 95 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 9311 from aliabs.peaks (1.67, 0.94, 21.27 ppm; 3.68 A): 0 out of 14 assignments used, quality = 0.00: HG LEU 62 - QG1 VAL 57 poor 20 78 25 - 4.6-7.1 HD2 LYS 19 - QG1 VAL 57 far 4 89 5 - 4.2-32.2 HD3 LYS 19 - QG1 VAL 57 far 4 85 5 - 5.0-31.7 HD3 LYS 26 - QG1 VAL 105 far 3 65 5 - 1.9-24.4 HD2 LYS 26 - QG1 VAL 105 far 3 64 5 - 3.3-23.9 HD2 LYS 24 - QG1 VAL 57 far 0 99 0 - 5.8-24.9 HD3 LYS 24 - QG1 VAL 57 far 0 93 0 - 6.0-24.4 HB2 LEU 123 - QG1 VAL 57 far 0 87 0 - 7.1-11.0 HB2 LEU 98 - QG1 VAL 105 far 0 47 0 - 7.7-12.5 HD3 LYS 26 - QG1 VAL 57 far 0 100 0 - 8.5-25.3 HD2 LYS 26 - QG1 VAL 57 far 0 99 0 - 8.9-25.6 HD3 LYS 31 - QG1 VAL 105 far 0 63 0 - 9.2-22.0 HD2 LYS 36 - QG1 VAL 57 far 0 100 0 - 9.2-21.4 HD2 LYS 31 - QG1 VAL 105 far 0 60 0 - 9.5-22.6 Violated in 19 structures by 1.67 A. Peak 9312 from aliabs.peaks (1.48, 0.94, 21.27 ppm; 3.25 A): 1 out of 4 assignments used, quality = 0.98: QB ALA 52 + QG1 VAL 57 OK 98 100 100 99 2.2-4.1 9317/2.1=67, 2.1/9307=53...(18) HB2 LEU 49 - QG1 VAL 57 far 0 81 0 - 6.4-9.5 HG3 LYS 24 - QG1 VAL 57 far 0 63 0 - 7.2-24.2 HG3 LYS 24 - QG1 VAL 105 far 0 35 0 - 9.1-31.4 Violated in 9 structures by 0.17 A. Peak 9314 from aliabs.peaks (1.98, 0.86, 19.34 ppm; 3.52 A): 3 out of 7 assignments used, quality = 0.93: HB2 GLU 55 + QG2 VAL 57 OK 71 97 85 86 2.9-5.6 11905/9304=30, ~9294=25...(13) HB3 PRO 56 + QG2 VAL 57 OK 65 81 85 96 4.6-5.2 2.3/10919=48...(14) HG2 PRO 56 + QG2 VAL 57 OK 27 63 50 85 4.5-5.7 3.8/10919=35...(12) HB3 LEU 53 - QG2 VAL 57 far 9 93 10 - 4.6-6.9 HB VAL 20 - QG2 VAL 57 far 0 81 0 - 5.7-29.1 HB2 GLN 27 - QG2 VAL 57 far 0 92 0 - 7.1-21.7 HB3 PRO 117 - QG2 VAL 57 far 0 65 0 - 8.8-16.2 Violated in 14 structures by 0.36 A. Peak 9315 from aliabs.peaks (1.98, 0.94, 21.27 ppm; 3.30 A): 3 out of 13 assignments used, quality = 0.81: HG2 PRO 56 + QG1 VAL 57 OK 44 73 75 80 4.3-5.1 3.8/10920=30...(13) HB2 GLU 55 + QG1 VAL 57 OK 43 99 55 78 3.2-5.7 3.0/9294=28, 9314/2.1=26...(11) HB3 PRO 56 + QG1 VAL 57 OK 41 89 50 92 4.6-5.1 2.3/10920=41...(15) HB VAL 20 - QG1 VAL 57 far 4 89 5 - 4.2-28.5 HB3 MET 11 - QG1 VAL 105 far 0 33 0 - 5.6-45.7 HG3 PRO 56 - QG1 VAL 57 far 0 65 0 - 5.7-6.4 HB3 GLU 30 - QG1 VAL 105 far 0 36 0 - 5.8-20.9 HB2 GLN 27 - QG1 VAL 57 far 0 85 0 - 6.2-22.7 HB3 LEU 53 - QG1 VAL 57 far 0 97 0 - 6.5-8.7 HB2 GLN 27 - QG1 VAL 105 far 0 50 0 - 6.7-23.4 HB VAL 20 - QG1 VAL 105 far 0 53 0 - 6.7-34.8 HB3 GLU 30 - QG1 VAL 57 far 0 65 0 - 7.4-23.1 HB3 MET 11 - QG1 VAL 57 far 0 60 0 - 8.2-36.8 Violated in 19 structures by 0.57 A. Peak 9316 from aliabs.peaks (1.65, 0.86, 19.34 ppm; 3.47 A): 1 out of 8 assignments used, quality = 0.95: HG LEU 62 + QG2 VAL 57 OK 95 98 100 97 2.3-5.0 2.1/9319=75, 9311/2.1=46...(10) HB2 LEU 123 - QG2 VAL 57 far 0 100 0 - 5.2-8.6 HD2 LYS 19 - QG2 VAL 57 far 0 100 0 - 6.7-31.3 HD3 LYS 24 - QG2 VAL 57 far 0 100 0 - 7.0-24.7 HD2 LYS 24 - QG2 VAL 57 far 0 99 0 - 7.1-25.2 HD3 LYS 19 - QG2 VAL 57 far 0 99 0 - 7.5-30.8 HD3 LYS 26 - QG2 VAL 57 far 0 99 0 - 9.9-23.3 HD2 LYS 26 - QG2 VAL 57 far 0 100 0 - 9.9-23.5 Violated in 13 structures by 0.49 A. Peak 9317 from aliabs.peaks (1.48, 0.86, 19.34 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.98: QB ALA 52 + QG2 VAL 57 OK 98 100 100 98 1.9-4.0 9312/2.1=54, 2.1/9304=47...(19) HB2 LEU 49 - QG2 VAL 57 far 0 96 0 - 5.8-8.0 Violated in 7 structures by 0.13 A. Peak 9318 from aliabs.peaks (1.25, 0.86, 19.34 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.42: QG2 THR 65 + QG2 VAL 57 OK 27 71 60 62 4.7-6.8 11024/10989=25...(5) QG2 THR 54 + QG2 VAL 57 OK 21 97 30 73 5.0-6.8 4.0/9295=47...(4) Violated in 20 structures by 0.85 A. Peak 9319 from aliabs.peaks (0.69, 0.86, 19.34 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.62: QD2 LEU 62 + QG2 VAL 57 OK 62 87 75 95 3.3-5.0 2.1/9316=53...(13) QD2 LEU 100 - QG2 VAL 57 far 0 90 0 - 6.4-10.6 Violated in 20 structures by 1.05 A. Peak 9321 from aliabs.peaks (1.46, 2.09, 32.84 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.85: QB ALA 52 + HB VAL 57 OK 85 85 100 100 3.6-5.4 9317/2.1=85, 9312/2.1=83...(18) HG3 LYS 19 - HB VAL 57 far 0 76 0 - 7.1-37.0 HG3 LYS 24 - HB VAL 57 far 0 95 0 - 10.0-28.1 Violated in 1 structures by 0.00 A. Peak 9322 from aliabs.peaks (2.00, 4.59, 58.62 ppm; 4.38 A): 3 out of 9 assignments used, quality = 1.00: HB3 PRO 56 + HA VAL 57 OK 99 100 100 99 4.3-4.4 ~6697=44, ~10919=36...(25) HG2 PRO 56 + HA VAL 57 OK 94 100 100 95 5.0-5.1 9315/1808=20, ~9292=17...(21) HG2 PRO 58 + HA VAL 57 OK 73 73 100 100 4.3-4.6 1.8/1794=42, ~9309=41...(28) HB2 GLU 55 - HA VAL 57 far 14 96 15 - 5.6-7.5 HG3 PRO 56 - HA VAL 57 far 0 99 0 - 6.4-6.5 QE MET 11 - HA VAL 57 far 0 71 0 - 6.8-38.6 HB VAL 20 - HA VAL 57 far 0 100 0 - 7.7-36.6 HB3 GLU 30 - HA VAL 57 far 0 99 0 - 9.0-28.6 HB3 LEU 53 - HA VAL 57 far 0 98 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 9323 from aliabs.peaks (0.94, 3.62, 50.62 ppm; 5.00 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 57 + HD2 PRO 58 OK 100 100 100 100 1.9-2.9 3.9=100 QD2 LEU 53 - HD2 PRO 58 poor 18 71 25 - 5.4-12.1 QD1 LEU 62 - HD2 PRO 58 poor 16 63 40 64 5.0-7.5 3.2/1820=17, ~1983=14...(9) QD1 LEU 119 - HD2 PRO 58 poor 14 100 25 54 6.0-13.5 6707/4.8=15...(12) QG2 VAL 112 - HD2 PRO 58 far 4 87 5 - 6.3-16.4 QD1 LEU 123 - HD2 PRO 58 far 0 90 0 - 7.3-13.7 QG1 VAL 112 - HD2 PRO 58 far 0 73 0 - 8.0-14.4 QD1 LEU 49 - HD2 PRO 58 far 0 60 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 9324 from aliabs.peaks (0.84, 3.62, 50.62 ppm; 5.40 A): 1 out of 3 assignments used, quality = 0.93: QG2 VAL 57 + HD2 PRO 58 OK 93 93 100 100 3.6-4.3 4.6=100 QD2 LEU 22 - HD2 PRO 58 far 5 100 5 - 6.3-27.3 QG2 ILE 32 - HD2 PRO 58 far 0 100 0 - 9.1-19.5 Violated in 0 structures by 0.00 A. Peak 9325 from aliabs.peaks (0.94, 3.82, 50.62 ppm; 4.84 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 57 + HD3 PRO 58 OK 100 100 100 100 2.9-3.8 3.9=100 QD1 LEU 119 - HD3 PRO 58 far 10 100 10 - 6.0-14.0 QG2 VAL 112 - HD3 PRO 58 far 9 87 10 - 5.3-16.2 QD1 LEU 62 - HD3 PRO 58 far 3 63 5 - 5.9-8.4 QD2 LEU 53 - HD3 PRO 58 far 0 71 0 - 6.8-13.1 QG1 VAL 112 - HD3 PRO 58 far 0 73 0 - 7.3-14.2 QD1 LEU 123 - HD3 PRO 58 far 0 90 0 - 8.3-14.8 Violated in 0 structures by 0.00 A. Peak 9326 from aliabs.peaks (0.84, 3.82, 50.62 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.87: QG2 VAL 57 + HD3 PRO 58 OK 87 87 100 100 4.5-4.9 4.6=100 QD2 LEU 22 - HD3 PRO 58 far 0 100 0 - 6.8-28.7 Violated in 3 structures by 0.01 A. Peak 9327 from aliabs.peaks (0.81, 1.95, 32.16 ppm; 6.80 A): 13 out of 28 assignments used, quality = 1.00: HG13 ILE 80 + HB3 PRO 81 OK 85 85 100 100 5.3-7.0 ~11248=74, ~11178=74...(34) QG2 ILE 80 + HB3 PRO 81 OK 84 84 100 100 4.0-6.4 ~11265=84, ~11784=82...(45) HG13 ILE 80 + HB3 LYS 86 OK 65 65 100 100 1.9-6.7 ~9727=91, ~9822=91...(51) QG2 ILE 80 + HB3 LYS 86 OK 64 64 100 100 1.7-6.0 11243/2695=90...(53) QD2 LEU 119 + HB2 PRO 58 OK 61 78 80 97 4.5-14.3 10927/2.3=93, ~10926=19...(8) QD1 LEU 70 + HB3 LYS 95 OK 60 93 90 71 6.6-9.9 11097/4.0=32...(9) QD1 LEU 70 + HB2 LYS 95 OK 55 86 90 71 6.4-9.7 11097/4.0=32...(9) QG1 VAL 133 + HB3 PRO 81 OK 42 47 90 99 5.9-9.1 ~11757=84, ~10575=34...(16) QD1 LEU 122 + HB3 LYS 95 OK 32 92 75 47 6.1-9.7 9498/11658=17...(10) QD2 LEU 122 + HB3 LYS 95 OK 30 61 90 55 5.3-9.6 9259/11650=20...(11) QG2 ILE 129 + HB2 LYS 95 OK 29 77 60 63 7.2-9.0 9946/9948=50...(6) QD2 LEU 122 + HB2 LYS 95 OK 25 54 85 54 5.8-9.2 9259/11650=22...(10) QG1 VAL 63 + HB2 PRO 58 OK 23 60 90 42 7.4-9.3 10993/9333=24, ~10981=10...(5) QG2 ILE 129 - HB3 LYS 86 poor 19 57 65 52 7.1-8.9 2456/9721=19, ~10471=17...(7) QD1 LEU 122 - HB2 LYS 95 poor 18 85 50 43 5.7-9.8 9498/11658=17...(8) QG1 VAL 133 - HB3 LYS 86 poor 10 34 30 - 6.5-9.7 QG2 ILE 129 - HB3 PRO 81 far 8 76 10 - 7.7-10.9 QD2 LEU 22 - HB2 PRO 58 far 6 57 10 - 7.1-28.7 QG2 ILE 129 - HB3 LYS 95 far 0 85 0 - 8.4-10.1 QD2 LEU 119 - HB3 LYS 95 far 0 68 0 - 8.4-14.0 QD1 LEU 53 - HB2 LYS 95 far 0 69 0 - 8.8-12.1 QD1 LEU 53 - HB3 LYS 95 far 0 76 0 - 8.9-12.3 QD1 LEU 53 - HB2 PRO 58 far 0 87 0 - 9.0-13.8 QD2 LEU 122 - HB2 PRO 58 far 0 71 0 - 9.1-13.4 QD1 LEU 122 - HB2 PRO 58 far 0 100 0 - 9.2-13.4 QD2 LEU 49 - HB2 LYS 95 far 0 76 0 - 9.3-12.2 QD2 LEU 49 - HB3 LYS 95 far 0 83 0 - 9.8-12.1 QD2 LEU 119 - HB2 LYS 95 far 0 61 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 9353 from aliabs.peaks (1.40, 2.61, 38.13 ppm; 5.34 A): 2 out of 10 assignments used, quality = 0.72: QB ALA 109 + HB2 ASN 59 OK 63 97 65 100 2.3-12.6 9356/1.8=82...(10) QB ALA 108 + HB2 ASN 59 OK 24 87 40 69 2.4-12.9 9341/3.5=26, 9356/1.8=22...(7) QB ALA 16 - HB2 ASN 59 far 5 99 5 - 6.5-33.9 QB ALA 28 - HB2 ASN 59 far 5 95 5 - 6.7-19.4 QB ALA 110 - HB2 ASN 59 lone 1 92 25 6 1.9-13.7 11496/9354=2, 9346/3.5=2 HG3 LYS 26 - HB2 ASN 59 far 0 90 0 - 7.2-24.9 QB ALA 15 - HB2 ASN 59 far 0 90 0 - 8.6-37.2 HB3 LEU 100 - HB2 ASN 59 far 0 73 0 - 8.6-11.8 QB ALA 29 - HB2 ASN 59 far 0 85 0 - 9.4-15.9 HG2 LYS 19 - HB2 ASN 59 far 0 65 0 - 9.8-41.2 Violated in 9 structures by 1.49 A. Peak 9354 from aliabs.peaks (0.91, 2.61, 38.13 ppm; 4.35 A): 2 out of 10 assignments used, quality = 1.00: QG2 VAL 63 + HB2 ASN 59 OK 100 100 100 100 3.3-4.9 10967=94, 10968/1.8=41...(19) QD1 LEU 62 + HB2 ASN 59 OK 95 100 95 100 4.0-5.9 9388/3.0=72, 10947=61...(31) QG2 VAL 112 - HB2 ASN 59 poor 13 95 50 26 2.0-12.9 11548/9353=17...(4) QD1 LEU 119 - HB2 ASN 59 poor 12 63 50 39 3.0-9.8 2.1/9355=10, ~10700=7...(11) QG1 VAL 118 - HB2 ASN 59 far 0 89 0 - 6.4-12.5 QD2 LEU 123 - HB2 ASN 59 far 0 63 0 - 8.1-13.4 QD1 LEU 123 - HB2 ASN 59 far 0 92 0 - 8.6-14.9 QG2 VAL 20 - HB2 ASN 59 far 0 89 0 - 9.0-29.6 QD1 LEU 22 - HB2 ASN 59 far 0 76 0 - 9.1-29.9 QD2 LEU 48 - HB2 ASN 59 far 0 92 0 - 9.7-16.6 Violated in 3 structures by 0.01 A. Peak 9355 from aliabs.peaks (0.78, 2.61, 38.13 ppm; 4.65 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 103 + HB2 ASN 59 OK 100 100 100 100 3.8-5.7 11833=100, 11834/1.8=88...(17) QG1 VAL 63 + HB2 ASN 59 OK 69 100 70 99 5.1-6.9 2.1/10967=80...(17) QD2 LEU 119 + HB2 ASN 59 OK 30 97 55 56 2.6-11.4 10700/3.0=12...(16) QD1 LEU 122 - HB2 ASN 59 far 0 63 0 - 6.7-11.5 QD2 LEU 122 - HB2 ASN 59 far 0 99 0 - 7.2-11.9 QD1 LEU 53 - HB2 ASN 59 far 0 92 0 - 8.2-13.6 QD1 ILE 32 - HB2 ASN 59 far 0 97 0 - 8.5-17.6 QD2 LEU 49 - HB2 ASN 59 far 0 85 0 - 10.0-12.7 Violated in 1 structures by 0.01 A. Peak 9356 from aliabs.peaks (1.41, 2.87, 38.13 ppm; 4.85 A): 1 out of 7 assignments used, quality = 0.43: QB ALA 109 + HB3 ASN 59 OK 43 78 60 91 1.9-12.0 9349/6718=44...(10) QB ALA 110 - HB3 ASN 59 poor 13 65 20 - 3.4-13.3 QB ALA 28 - HB3 ASN 59 far 4 71 5 - 5.7-17.9 HG2 LYS 26 - HB3 ASN 59 far 0 81 0 - 7.3-23.4 QB ALA 16 - HB3 ASN 59 far 0 87 0 - 7.9-33.2 HG3 LYS 26 - HB3 ASN 59 far 0 63 0 - 8.4-23.9 QB ALA 15 - HB3 ASN 59 far 0 63 0 - 8.6-36.3 Violated in 14 structures by 1.96 A. Peak 9357 from aliabs.peaks (0.91, 2.87, 38.13 ppm; 4.56 A): 2 out of 11 assignments used, quality = 1.00: QD1 LEU 62 + HB3 ASN 59 OK 100 100 100 100 3.1-5.6 9388/3.0=78...(31) QG2 VAL 63 + HB3 ASN 59 OK 99 100 100 99 1.9-4.0 10967/1.8=81, 10968=38...(20) QG2 VAL 112 - HB3 ASN 59 poor 15 97 45 34 2.9-12.7 11496/9356=25...(4) QD1 LEU 119 - HB3 ASN 59 poor 12 71 45 38 3.2-8.9 ~10700=8, ~9355=8...(10) QG1 VAL 118 - HB3 ASN 59 poor 12 83 30 49 5.0-11.4 11612/11834=16...(8) QD1 LEU 123 - HB3 ASN 59 far 0 96 0 - 8.0-13.9 QG1 VAL 57 - HB3 ASN 59 far 0 60 0 - 8.1-8.8 QD2 LEU 48 - HB3 ASN 59 far 0 87 0 - 9.1-16.4 QD1 LEU 22 - HB3 ASN 59 far 0 68 0 - 9.6-29.7 QD1 LEU 49 - HB3 ASN 59 far 0 100 0 - 9.8-12.6 QD1 LEU 48 - HB3 ASN 59 far 0 100 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 9358 from aliabs.peaks (0.91, 4.33, 38.13 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9359 from aliabs.peaks (1.40, 4.33, 56.25 ppm; 4.75 A): 2 out of 34 assignments used, quality = 0.83: HG2 LYS 24 + HA LYS 24 OK 68 68 100 100 2.0-4.2 4.1=100 QB ALA 109 + HA ASN 59 OK 48 97 50 98 3.7-12.6 9349/2.9=63...(10) QB ALA 110 - HA ASN 59 poor 18 92 20 - 3.5-14.4 HG3 LYS 26 - HA LYS 24 poor 16 78 20 - 3.3-9.6 QB ALA 108 - HA ASN 59 poor 12 87 25 54 3.8-12.4 9341/4.4=18, 9353/3.0=15...(7) HG3 LYS 31 - HA LYS 24 far 8 84 10 - 3.7-16.5 HG2 LYS 19 - HA LYS 24 far 8 54 15 - 5.7-16.5 QB ALA 15 - HA LYS 24 far 8 78 10 - 4.8-16.2 QB ALA 109 - HA LYS 24 far 4 86 5 - 5.5-33.3 HG3 LYS 95 - HA LYS 24 far 4 84 5 - 5.9-34.3 HG2 LYS 36 - HA LYS 24 far 4 76 5 - 4.9-24.6 QB ALA 34 - HA LYS 24 far 4 76 5 - 5.3-21.2 QB ALA 108 - HA LYS 24 far 4 74 5 - 3.7-31.5 QB ALA 29 - HA LYS 24 far 4 72 5 - 3.0-12.6 HG3 LYS 26 - HA ASP 47 far 2 49 5 - 3.8-25.9 QB ALA 28 - HA LYS 24 lone 2 83 25 8 1.8-11.7 6234/6231=4, 10790/3.0=1 QB ALA 16 - HA LYS 24 far 0 90 0 - 6.5-16.3 QB ALA 29 - HA ASP 47 far 0 45 0 - 6.7-17.8 HG2 LYS 19 - HA ASP 47 far 0 32 0 - 7.1-40.0 QB ALA 28 - HA ASN 59 far 0 95 0 - 7.2-18.5 HG2 LYS 95 - HA LYS 24 far 0 87 0 - 7.2-34.2 QB ALA 16 - HA ASN 59 far 0 99 0 - 7.5-31.8 QB ALA 15 - HA ASP 47 far 0 49 0 - 7.5-31.1 QB ALA 29 - HA ASN 59 far 0 85 0 - 7.5-14.4 HB3 LEU 100 - HA ASN 59 far 0 73 0 - 7.6-10.0 HG3 LYS 26 - HA ASN 59 far 0 90 0 - 7.9-22.8 QB ALA 110 - HA LYS 24 far 0 80 0 - 8.2-36.4 QB ALA 28 - HA ASP 47 far 0 53 0 - 8.3-20.8 HB2 LEU 42 - HA LYS 24 far 0 61 0 - 8.7-28.4 HG2 LYS 19 - HA ASN 59 far 0 65 0 - 9.0-39.5 HB2 LEU 42 - HA ASP 47 far 0 37 0 - 9.2-11.3 QB ALA 15 - HA ASN 59 far 0 90 0 - 9.5-35.5 QB ALA 16 - HA ASP 47 far 0 59 0 - 9.7-29.6 HG LEU 96 - HA LYS 24 far 0 91 0 - 10.0-28.3 Violated in 0 structures by 0.00 A. Peak 9360 from aliabs.peaks (1.15, 4.33, 56.25 ppm; 5.25 A): 2 out of 15 assignments used, quality = 1.00: HB3 LEU 62 + HA ASN 59 OK 99 99 100 100 1.8-3.1 1.8/1880=100...(27) QG2 THR 25 + HA LYS 24 OK 51 52 100 99 3.6-6.0 4.0/6231=86...(23) QG2 THR 18 - HA LYS 24 poor 19 78 25 - 2.4-12.9 HG12 ILE 32 - HA LYS 24 poor 18 90 20 - 4.5-15.8 QG2 THR 115 - HA ASN 59 poor 14 81 50 34 5.2-11.5 11721/10350=17...(3) QB ALA 41 - HA LYS 24 far 5 54 10 - 4.3-23.3 QG2 THR 25 - HA ASP 47 far 2 31 5 - 6.6-23.0 QG2 THR 25 - HA ASN 59 far 0 63 0 - 7.0-20.3 HG3 LYS 39 - HA LYS 24 far 0 84 0 - 7.0-33.4 QG2 THR 18 - HA ASN 59 far 0 90 0 - 7.7-33.1 QG2 VAL 132 - HA ASP 47 far 0 56 0 - 8.5-12.3 QG2 THR 18 - HA ASP 47 far 0 49 0 - 8.5-33.1 HG2 LYS 39 - HA LYS 24 far 0 81 0 - 8.8-32.5 QB ALA 41 - HA ASP 47 far 0 32 0 - 9.2-10.1 QG1 VAL 132 - HA ASP 47 far 0 42 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 9361 from aliabs.peaks (0.92, 4.33, 56.25 ppm; 3.94 A): 4 out of 30 assignments used, quality = 1.00: QD1 LEU 62 + HA ASN 59 OK 100 100 100 100 1.9-3.7 9388=100, 3.2/1880=63...(22) QG2 VAL 63 + HA ASN 59 OK 97 99 100 98 2.4-4.3 10967/3.0=49...(26) QD1 LEU 48 + HA ASP 47 OK 45 57 90 88 4.2-7.1 1528/3.6=38, 9180/2.9=23...(13) QD1 LEU 49 + HA ASP 47 OK 45 59 95 81 3.7-5.5 9209/1602=15...(17) QD1 LEU 119 - HA ASN 59 poor 18 81 50 45 3.5-9.1 11624/1880=14...(13) QD2 LEU 48 - HA ASP 47 poor 18 40 45 - 4.6-6.1 QG1 VAL 20 - HA LYS 24 poor 17 87 20 - 2.9-10.7 QG2 VAL 20 - HA LYS 24 poor 12 61 20 - 3.1-8.6 QG2 VAL 112 - HA ASN 59 far 10 99 10 - 4.5-12.9 QG1 VAL 118 - HA ASN 59 far 4 73 5 - 5.4-11.6 QG1 VAL 118 - HA LYS 24 far 3 61 5 - 4.5-25.3 QD1 LEU 123 - HA ASP 47 far 3 57 5 - 5.2-8.2 QD2 LEU 48 - HA LYS 24 far 0 66 0 - 5.8-22.7 QG1 VAL 20 - HA ASP 47 far 0 56 0 - 5.9-27.7 QG1 VAL 57 - HA LYS 24 far 0 59 0 - 6.0-23.5 QG2 ILE 37 - HA LYS 24 far 0 76 0 - 6.0-22.8 QD1 LEU 48 - HA LYS 24 far 0 88 0 - 6.0-22.2 QG1 VAL 57 - HA ASN 59 far 0 71 0 - 6.4-6.9 QD1 LEU 123 - HA ASN 59 far 0 99 0 - 6.6-13.0 QD2 LEU 48 - HA ASN 59 far 0 78 0 - 7.3-14.3 QD1 LEU 119 - HA LYS 24 far 0 68 0 - 7.7-27.1 QG2 VAL 20 - HA ASP 47 far 0 37 0 - 7.7-27.9 QD1 LEU 49 - HA ASN 59 far 0 100 0 - 8.4-10.7 QD1 LEU 48 - HA ASN 59 far 0 99 0 - 8.5-15.4 QG2 VAL 20 - HA ASN 59 far 0 73 0 - 8.9-28.3 QG2 ILE 37 - HA ASP 47 far 0 47 0 - 9.0-14.5 QD1 LEU 49 - HA LYS 24 far 0 90 0 - 9.2-22.2 QG2 VAL 63 - HA LYS 24 far 0 89 0 - 9.3-24.0 QD1 LEU 62 - HA ASP 47 far 0 59 0 - 9.5-12.8 QG1 VAL 20 - HA ASN 59 far 0 98 0 - 10.0-30.7 Violated in 0 structures by 0.00 A. Peak 9362 from aliabs.peaks (0.75, 4.33, 56.25 ppm; 4.70 A): 1 out of 14 assignments used, quality = 0.92: QD2 LEU 103 + HA ASN 59 OK 92 92 100 100 3.4-4.7 10350=84, 11829/3.0=60...(28) QD2 LEU 43 - HA ASP 47 poor 15 59 25 - 4.5-7.9 QD1 ILE 32 - HA LYS 24 far 11 70 15 - 2.5-12.8 QD1 ILE 32 - HA ASP 47 far 0 43 0 - 7.7-15.3 QD1 ILE 37 - HA LYS 24 far 0 70 0 - 7.7-21.6 QD1 ILE 32 - HA ASN 59 far 0 83 0 - 7.8-16.3 QD2 LEU 96 - HA ASP 47 far 0 60 0 - 8.4-13.8 QD1 ILE 37 - HA ASP 47 far 0 43 0 - 8.7-14.4 QD1 LEU 96 - HA LYS 24 far 0 59 0 - 9.0-22.3 QD1 LEU 96 - HA ASP 47 far 0 35 0 - 9.0-13.0 QG1 VAL 93 - HA LYS 24 far 0 91 0 - 9.2-24.1 QD2 LEU 43 - HA LYS 24 far 0 91 0 - 9.6-25.5 HG12 ILE 129 - HA ASP 47 far 0 60 0 - 9.8-13.8 QD1 LEU 96 - HA ASN 59 far 0 71 0 - 9.8-13.2 Violated in 2 structures by 0.00 A. Peak 9363 from aliabs.peaks (0.77, 2.87, 38.13 ppm; 4.62 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 103 + HB3 ASN 59 OK 98 98 100 100 2.5-5.2 11834=95, 11833/1.8=82...(20) QG1 VAL 63 + HB3 ASN 59 OK 90 97 95 97 4.2-6.4 ~10967=57, 2.1/10968=33...(16) QD2 LEU 119 + HB3 ASN 59 OK 22 89 50 50 1.9-10.7 9355/1.8=12...(15) QD2 LEU 122 - HB3 ASN 59 far 9 93 10 - 5.7-10.5 QD1 LEU 53 - HB3 ASN 59 far 0 81 0 - 7.2-13.6 QD1 ILE 32 - HB3 ASN 59 far 0 100 0 - 8.0-16.2 QD2 LEU 49 - HB3 ASN 59 far 0 71 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 9364 from aliabs.peaks (1.56, 2.87, 38.13 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: HG LEU 103 + HB3 ASN 59 OK 100 100 100 100 3.8-5.0 2.1/11834=99...(21) HB2 LEU 103 + HB3 ASN 59 OK 85 85 100 100 6.1-7.6 3.2/11834=98, ~11833=86...(20) HB2 LEU 119 + HB3 ASN 59 OK 22 95 45 51 5.4-11.4 ~10700=14, ~9355=13...(9) HG LEU 123 - HB3 ASN 59 far 5 99 5 - 7.8-14.7 Violated in 0 structures by 0.00 A. Peak 9365 from aliabs.peaks (1.55, 2.61, 38.13 ppm; 5.87 A): 1 out of 5 assignments used, quality = 1.00: HG LEU 103 + HB2 ASN 59 OK 100 100 100 100 5.2-6.5 2.1/11833=99...(20) HB2 LEU 119 - HB2 ASN 59 poor 20 98 20 - 5.9-12.1 HB2 LEU 103 - HB2 ASN 59 far 0 76 0 - 7.6-8.7 HG LEU 123 - HB2 ASN 59 far 0 96 0 - 8.6-15.8 HB2 LEU 22 - HB2 ASN 59 far 0 97 0 - 9.3-32.9 Violated in 11 structures by 0.14 A. Peak 9366 from aliabs.peaks (7.14, 4.01, 60.84 ppm; 5.10 A): 1 out of 3 assignments used, quality = 0.58: QD TYR 72 + HA ILE 37 OK 58 68 85 100 3.1-6.9 9022/3.2=87, 2.2/9367=81...(31) HD2 HIS 67 - HA SER 60 far 0 87 0 - 7.3-12.0 HD2 HIS 67 - HA ILE 37 far 0 55 0 - 9.0-18.3 Violated in 6 structures by 0.39 A. Peak 9367 from aliabs.peaks (6.81, 4.01, 60.84 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.60: QE TYR 72 + HA ILE 37 OK 60 71 85 100 3.2-8.2 9021/3.2=73, 2.2/9366=70...(18) HE21 GLN 68 - HA ILE 37 far 3 67 5 - 5.9-12.7 HE21 GLN 68 - HA SER 60 far 0 98 0 - 9.2-13.0 Violated in 15 structures by 0.86 A. Peak 9377 from aliabs.peaks (0.94, 2.28, 33.67 ppm; 3.81 A): 1 out of 8 assignments used, quality = 1.00: QG1 VAL 57 + HG2 GLN 61 OK 100 100 100 100 2.0-4.1 2.1/10938=65...(24) QD2 LEU 53 - HG2 GLN 61 poor 12 81 30 52 3.3-11.2 9256=35, 10937/1.8=11...(6) QD1 LEU 123 - HG2 GLN 61 far 0 83 0 - 6.0-13.2 QD1 LEU 119 - HG2 GLN 61 far 0 99 0 - 6.7-13.2 QG1 VAL 112 - HG2 GLN 61 far 0 83 0 - 8.0-16.2 QG2 VAL 112 - HG2 GLN 61 far 0 78 0 - 8.1-17.8 QG1 VAL 126 - HG2 GLN 61 far 0 97 0 - 9.1-12.1 QG2 VAL 126 - HG2 GLN 61 far 0 89 0 - 9.3-12.6 Violated in 8 structures by 0.07 A. Peak 9378 from aliabs.peaks (0.87, 2.10, 28.56 ppm; 3.79 A): 1 out of 19 assignments used, quality = 0.22: QG2 VAL 57 + HB3 GLN 61 OK 22 89 25 100 4.8-6.4 10936/3.0=55...(29) QG2 VAL 57 - HB2 GLN 61 far 13 88 15 - 4.4-6.4 QD1 LEU 98 - HB2 GLU 102 poor 13 50 25 - 3.9-8.3 QD2 LEU 48 - HB3 GLN 61 far 8 81 10 - 5.1-12.1 QG1 VAL 118 - HB2 GLU 102 far 7 45 15 - 5.1-8.1 QD1 LEU 22 - HB3 GLN 61 far 5 95 5 - 4.1-26.0 QD1 LEU 22 - HB2 GLN 61 far 5 94 5 - 5.0-25.1 QG2 VAL 20 - HB2 GLN 61 far 4 84 5 - 3.9-23.3 QD2 LEU 48 - HB2 GLN 61 far 4 80 5 - 3.9-10.7 QD2 LEU 98 - HB2 GLU 102 far 3 58 5 - 5.1-7.3 QG2 VAL 20 - HB2 GLU 102 far 2 45 5 - 4.3-33.9 QG2 VAL 20 - HB3 GLN 61 far 0 85 0 - 5.4-23.8 QD2 LEU 123 - HB2 GLN 61 far 0 98 0 - 6.3-11.1 QD2 LEU 123 - HB3 GLN 61 far 0 99 0 - 6.9-12.2 QD2 LEU 70 - HB2 GLU 102 far 0 48 0 - 7.0-11.0 QD2 LEU 69 - HB2 GLN 61 far 0 98 0 - 8.7-12.8 QG1 VAL 118 - HB2 GLN 61 far 0 84 0 - 8.9-16.2 QD2 LEU 69 - HB3 GLN 61 far 0 99 0 - 9.3-14.1 QG1 VAL 118 - HB3 GLN 61 far 0 85 0 - 9.4-15.9 Violated in 20 structures by 1.78 A. Peak 9379 from aliabs.peaks (0.88, 4.28, 57.75 ppm; 4.56 A): 0 out of 11 assignments used, quality = 0.00: QG2 VAL 63 - HA GLN 61 poor 15 60 25 - 5.8-6.8 QD1 LEU 22 - HA GLN 61 far 5 99 5 - 5.7-24.2 QG2 VAL 20 - HA GLN 61 far 5 96 5 - 5.1-23.2 QD2 LEU 48 - HA GLN 61 far 5 93 5 - 4.9-11.6 QD1 LEU 48 - HA GLN 61 far 0 63 0 - 6.4-13.0 QG2 VAL 57 - HA GLN 61 far 0 73 0 - 6.4-7.2 QD2 LEU 123 - HA GLN 61 far 0 100 0 - 6.7-11.6 QG1 VAL 20 - HA GLN 61 far 0 65 0 - 7.3-25.6 QD2 LEU 69 - HA GLN 61 far 0 92 0 - 8.0-12.6 QG1 VAL 118 - HA GLN 61 far 0 96 0 - 9.0-15.3 QD2 LEU 70 - HA GLN 61 far 0 73 0 - 9.9-13.4 Violated in 19 structures by 0.66 A. Peak 9386 from aliabs.peaks (3.37, 0.68, 23.19 ppm; 3.95 A): 3 out of 5 assignments used, quality = 1.00: HA VAL 63 + QD2 LEU 62 OK 99 100 100 100 2.7-4.2 9397=55, 2017/2.1=35...(33) HA VAL 63 + QD2 LEU 100 OK 78 82 95 100 1.9-5.8 10958/2.1=54...(33) HB2 HIS 67 + QD2 LEU 100 OK 44 54 85 97 3.3-6.0 3.0/11014=40...(14) HB2 HIS 67 - QD2 LEU 62 far 0 73 0 - 5.8-8.2 HB3 TYR 72 - QD2 LEU 100 far 0 50 0 - 9.1-12.5 Violated in 0 structures by 0.00 A. Peak 9387 from aliabs.peaks (4.32, 0.68, 23.19 ppm; 4.28 A): 2 out of 10 assignments used, quality = 0.94: HA ASN 59 + QD2 LEU 62 OK 92 92 100 100 3.7-5.1 9388/2.1=77, 1880/3.1=64...(21) HA ASN 59 + QD2 LEU 100 OK 26 71 55 66 5.0-9.9 9388/2010=23...(10) HA ASP 47 - QD2 LEU 62 far 0 87 0 - 7.4-10.3 HA LEU 69 - QD2 LEU 100 far 0 43 0 - 7.9-9.3 HA LEU 69 - QD2 LEU 62 far 0 60 0 - 8.1-9.5 HA THR 25 - QD2 LEU 62 far 0 60 0 - 8.6-18.1 HA ALA 21 - QD2 LEU 62 far 0 73 0 - 9.0-26.5 HA THR 25 - QD2 LEU 100 far 0 43 0 - 9.6-19.1 HA LYS 24 - QD2 LEU 100 far 0 78 0 - 9.6-22.9 HA LYS 24 - QD2 LEU 62 far 0 97 0 - 9.7-21.8 Violated in 16 structures by 0.26 A. Peak 9388 from aliabs.peaks (4.33, 0.91, 26.02 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.99: HA ASN 59 + QD1 LEU 62 OK 99 100 100 99 1.9-3.7 1880/3.2=59...(22) HA CYS 125 - QD1 LEU 62 far 0 78 0 - 9.5-12.5 HA ASP 47 - QD1 LEU 62 far 0 100 0 - 9.5-12.8 HA LEU 69 - QD1 LEU 62 far 0 93 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 9394 from aliabs.peaks (1.41, 0.91, 26.02 ppm; 4.58 A): 0 out of 7 assignments used, quality = 0.00: QB ALA 109 - QD1 LEU 62 poor 17 68 25 - 5.6-9.6 QB ALA 28 - QD1 LEU 62 far 0 60 0 - 6.2-13.6 HG2 LYS 26 - QD1 LEU 62 far 0 89 0 - 7.1-18.2 HG LEU 96 - QD1 LEU 62 far 0 90 0 - 7.4-11.8 QB ALA 16 - QD1 LEU 62 far 0 78 0 - 8.1-26.3 HG13 ILE 32 - QD1 LEU 62 far 0 92 0 - 9.2-15.0 QB ALA 92 - QD1 LEU 62 far 0 90 0 - 9.6-12.3 Violated in 20 structures by 2.03 A. Peak 9395 from aliabs.peaks (0.77, 2.06, 42.10 ppm; 4.44 A): 4 out of 10 assignments used, quality = 0.92: QD2 LEU 119 + HB2 LEU 62 OK 80 89 90 100 2.0-11.3 10992/3.0=39...(43) QD1 LEU 53 + HB2 LEU 62 OK 31 81 40 97 3.9-9.0 ~10338=48, ~10338=44...(15) QD1 LEU 103 + HB2 LEU 62 OK 29 98 30 97 5.0-8.5 ~11823=53, ~11721=40...(25) QD2 LEU 122 + HB2 LEU 62 OK 20 93 35 63 4.4-9.0 9259/1880=8, ~10992=8...(24) QG1 VAL 63 - HB2 LEU 62 far 5 97 5 - 5.2-6.8 QD2 LEU 49 - HB2 LEU 62 far 4 71 5 - 5.7-9.1 QD1 ILE 32 - HB2 LEU 62 far 0 100 0 - 7.0-15.4 QD1 LEU 96 - HB2 LEU 62 far 0 100 0 - 8.5-12.1 QD1 ILE 37 - HB2 LEU 62 far 0 100 0 - 9.3-18.7 QD2 LEU 96 - HB2 LEU 62 far 0 76 0 - 10.0-13.2 Violated in 1 structures by 0.02 A. Peak 9397 from aliabs.peaks (0.68, 3.36, 66.55 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 62 + HA VAL 63 OK 99 100 100 99 2.7-4.2 9386=65, 2.1/2017=31...(33) QD2 LEU 100 + HA VAL 63 OK 79 100 80 99 1.9-5.8 2.1/10958=44...(32) QD1 ILE 129 - HA VAL 63 far 0 60 0 - 9.8-11.8 Violated in 1 structures by 0.01 A. Peak 9398 from aliabs.peaks (1.38, 3.36, 66.55 ppm; 5.05 A): 2 out of 12 assignments used, quality = 0.99: HB3 LEU 100 + HA VAL 63 OK 99 99 100 100 4.1-6.1 3.2/10958=72, ~10973=42...(29) QB ALA 108 + HA VAL 63 OK 33 100 35 95 4.1-11.4 11883/4.9=64...(11) QB ALA 29 - HA VAL 63 far 15 100 15 - 5.0-11.1 QB ALA 109 - HA VAL 63 far 15 99 15 - 4.7-13.6 QB ALA 28 - HA VAL 63 far 5 100 5 - 5.7-14.8 HG3 LYS 26 - HA VAL 63 far 0 100 0 - 7.0-19.4 QB ALA 110 - HA VAL 63 far 0 100 0 - 7.1-15.5 HG2 LYS 24 - HA VAL 63 far 0 100 0 - 7.9-26.9 HG LEU 96 - HA VAL 63 far 0 90 0 - 8.2-12.1 HB2 LEU 96 - HA VAL 63 far 0 100 0 - 8.6-12.0 HG3 LYS 31 - HA VAL 63 far 0 100 0 - 9.5-18.9 QB ALA 12 - HA VAL 63 far 0 78 0 - 9.7-33.9 Violated in 13 structures by 0.35 A. Peak 9399 from aliabs.peaks (1.80, 3.36, 66.55 ppm; 5.07 A): 3 out of 8 assignments used, quality = 0.99: HB3 LEU 103 + HA VAL 63 OK 93 98 95 100 4.6-6.6 3.1/11832=83...(38) HB2 LEU 100 + HA VAL 63 OK 74 83 90 100 5.4-6.9 3.2/10958=72...(28) HG LEU 100 + HA VAL 63 OK 60 60 100 100 3.1-4.8 2.1/10958=85, ~10973=55...(24) HB3 LEU 122 - HA VAL 63 poor 19 96 20 - 5.0-9.4 HB3 LYS 24 - HA VAL 63 far 0 96 0 - 7.8-24.9 HB2 LEU 48 - HA VAL 63 far 0 76 0 - 8.7-15.0 HB3 LYS 26 - HA VAL 63 far 0 95 0 - 8.9-19.3 HB ILE 32 - HA VAL 63 far 0 98 0 - 9.1-15.6 Violated in 0 structures by 0.00 A. Peak 9400 from aliabs.peaks (2.38, 0.78, 21.57 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: HG2 GLN 104 + QG1 VAL 63 OK 100 100 100 100 1.9-4.0 11521/2.1=75, 11522=75...(24) HG3 GLN 61 - QG1 VAL 63 far 0 63 0 - 7.0-7.8 HG3 GLU 97 - QG1 VAL 63 far 0 78 0 - 7.1-11.9 HB3 PRO 58 - QG1 VAL 63 far 0 57 0 - 7.8-9.9 Violated in 6 structures by 0.04 A. Peak 9401 from aliabs.peaks (2.46, 0.78, 21.57 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.96: HG3 GLN 104 + QG1 VAL 63 OK 96 96 100 100 1.9-4.5 1.8/9400=80...(22) HG2 MET 11 - QG1 VAL 63 far 0 89 0 - 8.8-39.0 Violated in 9 structures by 0.11 A. Peak 9406 from aliabs.peaks (7.14, 0.78, 21.57 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.27: HD2 HIS 67 + QG1 VAL 63 OK 27 87 40 78 1.9-5.6 10044/10973=28, 9470=23...(8) QD TYR 72 - QG1 VAL 63 far 0 99 0 - 9.4-10.4 Violated in 17 structures by 1.39 A. Peak 9408 from aliabs.peaks (8.57, 0.78, 21.57 ppm; 3.57 A): 0 out of 0 assignments used, quality = 0.00: Peak 9411 from aliabs.peaks (0.78, 4.45, 57.70 ppm; 4.15 A): 2 out of 10 assignments used, quality = 1.00: QG1 VAL 63 + HA ASP 64 OK 100 100 100 100 2.7-3.7 10980=99, 6825/2.9=58...(25) QD1 ILE 32 + HA ASP 64 OK 26 98 40 65 2.5-11.7 10846/3.0=53...(8) QD1 LEU 122 - HA ASP 64 far 3 60 5 - 5.0-10.2 QD1 ILE 37 - HA ASP 64 far 0 98 0 - 6.2-13.9 QD2 LEU 122 - HA ASP 64 far 0 98 0 - 6.2-9.7 QD1 LEU 103 - HA ASP 64 far 0 100 0 - 6.4-9.9 QD1 LEU 53 - HA ASP 64 far 0 90 0 - 6.8-14.1 QD2 LEU 49 - HA ASP 64 far 0 83 0 - 6.9-8.4 QD2 LEU 119 - HA ASP 64 far 0 96 0 - 7.8-15.4 QD1 LEU 96 - HA ASP 64 far 0 100 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 9412 from aliabs.peaks (0.89, 4.45, 57.70 ppm; 5.59 A): 2 out of 11 assignments used, quality = 0.88: QG2 VAL 63 + HA ASP 64 OK 83 83 100 100 5.1-5.4 2.1/10980=99, ~6824=69...(21) QD1 LEU 62 + HA ASP 64 OK 30 76 50 79 5.9-8.7 2017/4.9=27...(8) QD2 LEU 69 - HA ASP 64 far 7 73 10 - 6.4-9.9 QD2 LEU 123 - HA ASP 64 far 0 99 0 - 7.1-11.5 QG2 VAL 20 - HA ASP 64 far 0 100 0 - 7.3-22.8 QD1 LEU 48 - HA ASP 64 far 0 85 0 - 7.3-13.8 QD2 LEU 48 - HA ASP 64 far 0 100 0 - 7.8-11.8 QG1 VAL 118 - HA ASP 64 far 0 100 0 - 7.9-13.7 QD1 LEU 49 - HA ASP 64 far 0 78 0 - 8.9-10.5 QG1 VAL 20 - HA ASP 64 far 0 87 0 - 9.2-25.3 QD1 LEU 22 - HA ASP 64 far 0 100 0 - 9.3-22.5 Violated in 0 structures by 0.00 A. Peak 9413 from aliabs.peaks (0.80, 2.75, 40.01 ppm; 5.90 A): 1 out of 8 assignments used, quality = 0.89: QG1 VAL 63 + HB2 ASP 64 OK 89 89 100 100 4.2-5.5 4.3/2048=86...(18) QD1 LEU 122 - HB2 ASP 64 poor 20 99 20 - 5.9-10.6 QD2 LEU 49 - HB2 ASP 64 poor 15 100 55 27 6.6-9.0 9416/4.6=16, 9419/9429=5...(4) QD1 LEU 53 - HB2 ASP 64 far 10 99 10 - 6.4-13.5 QD2 LEU 119 - HB2 ASP 64 far 5 97 5 - 7.1-15.8 QD2 LEU 122 - HB2 ASP 64 far 5 95 5 - 6.8-10.5 QD1 LEU 103 - HB2 ASP 64 far 0 87 0 - 7.9-10.7 QD1 LEU 70 - HB2 ASP 64 far 0 95 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 9414 from aliabs.peaks (0.90, 2.75, 40.01 ppm; 5.72 A): 2 out of 12 assignments used, quality = 0.97: QG2 VAL 63 + HB2 ASP 64 OK 96 96 100 100 5.5-6.5 4.4/2048=82, ~10969=72...(17) QD1 LEU 62 + HB2 ASP 64 OK 36 92 55 72 5.8-8.5 6826/2048=22...(7) QD2 LEU 48 - HB2 ASP 64 poor 12 100 50 25 5.9-10.6 9415/4.6=13...(3) QD2 LEU 123 - HB2 ASP 64 far 9 90 10 - 6.6-11.4 QG2 VAL 20 - HB2 ASP 64 far 5 100 5 - 5.7-22.8 QD1 LEU 48 - HB2 ASP 64 lone 4 97 30 13 6.5-12.4 9415/4.6=6, 9418/9429=5 QD1 LEU 22 - HB2 ASP 64 far 0 97 0 - 7.8-22.9 QG1 VAL 20 - HB2 ASP 64 far 0 97 0 - 7.9-25.2 QD1 LEU 123 - HB2 ASP 64 far 0 65 0 - 8.3-14.0 QD1 LEU 49 - HB2 ASP 64 far 0 93 0 - 8.3-10.2 QG1 VAL 118 - HB2 ASP 64 far 0 100 0 - 8.6-14.8 QG2 VAL 112 - HB2 ASP 64 far 0 71 0 - 8.8-19.3 Violated in 6 structures by 0.09 A. Peak 9418 from aliabs.peaks (0.91, 3.97, 66.33 ppm; 4.33 A): 2 out of 12 assignments used, quality = 0.86: QD2 LEU 48 + HA THR 65 OK 77 97 80 100 4.1-7.8 10957/2074=57, ~9441=38...(30) QD1 LEU 48 + HA THR 65 OK 40 100 40 100 3.5-9.9 11848/2074=45, ~9441=38...(30) QD1 LEU 49 - HA THR 65 far 10 99 10 - 5.6-7.8 QG2 ILE 37 - HA THR 65 far 9 63 15 - 2.8-13.0 QD2 LEU 123 - HA THR 65 far 7 73 10 - 4.7-9.6 QG1 VAL 20 - HA THR 65 far 5 100 5 - 5.8-23.5 QG2 VAL 20 - HA THR 65 far 5 95 5 - 4.4-21.0 QD1 LEU 62 - HA THR 65 far 0 99 0 - 6.5-8.5 QD1 LEU 123 - HA THR 65 far 0 85 0 - 6.9-11.3 QG2 VAL 63 - HA THR 65 far 0 100 0 - 7.5-7.7 QG1 VAL 118 - HA THR 65 far 0 95 0 - 8.3-14.3 QD1 LEU 22 - HA THR 65 far 0 85 0 - 9.8-23.3 Violated in 11 structures by 0.64 A. Peak 9419 from aliabs.peaks (0.80, 3.97, 66.33 ppm; 5.51 A): 4 out of 11 assignments used, quality = 1.00: QD2 LEU 49 + HA THR 65 OK 100 100 100 100 3.3-5.4 ~10966=67, ~11025=53...(31) QG1 VAL 63 + HA THR 65 OK 92 93 100 99 6.1-6.7 10980/4.9=60, ~9427=54...(15) QD1 ILE 32 + HA THR 65 OK 32 63 90 57 1.7-11.4 9009/11023=17...(11) QD1 LEU 122 + HA THR 65 OK 21 97 25 88 4.9-9.8 11110/3.2=73...(12) QD2 LEU 122 - HA THR 65 poor 19 97 20 - 6.1-8.9 QD1 LEU 70 - HA THR 65 far 14 90 15 - 6.6-9.1 QD1 LEU 53 - HA THR 65 poor 11 100 25 45 4.5-12.0 9431/2074=12, ~9442=10...(8) QD1 ILE 37 - HA THR 65 far 9 63 15 - 2.7-11.8 QD2 LEU 119 - HA THR 65 far 0 99 0 - 8.1-16.2 QD1 LEU 96 - HA THR 65 far 0 76 0 - 8.1-9.5 QD1 LEU 103 - HA THR 65 far 0 92 0 - 8.6-12.3 Violated in 0 structures by 0.00 A. Peak 9421 from aliabs.peaks (0.90, 4.06, 67.71 ppm; 3.84 A): 2 out of 11 assignments used, quality = 0.84: QD2 LEU 48 + HB THR 65 OK 64 99 65 100 3.0-8.4 10957/2.1=63, ~9441=39...(31) QD1 LEU 48 + HB THR 65 OK 54 99 55 100 3.4-10.0 11848/2.1=46, ~9441=39...(29) QD1 LEU 49 - HB THR 65 poor 19 97 20 - 3.9-7.3 QD2 LEU 123 - HB THR 65 poor 18 83 30 74 2.7-8.2 11510/2.1=38, ~11640=13...(15) QD1 LEU 62 - HB THR 65 far 14 97 15 - 4.7-7.5 QG1 VAL 20 - HB THR 65 far 5 99 5 - 4.8-25.3 QG2 VAL 20 - HB THR 65 far 5 98 5 - 4.0-22.9 QD1 LEU 123 - HB THR 65 far 4 76 5 - 5.0-10.8 QG2 VAL 63 - HB THR 65 far 0 99 0 - 6.4-7.8 QG1 VAL 118 - HB THR 65 far 0 98 0 - 6.9-14.2 QD1 LEU 22 - HB THR 65 far 0 92 0 - 8.4-23.5 Violated in 10 structures by 0.88 A. Peak 9422 from aliabs.peaks (0.79, 4.06, 67.71 ppm; 4.62 A): 2 out of 11 assignments used, quality = 1.00: QD2 LEU 49 + HB THR 65 OK 100 100 100 100 2.6-5.4 ~10966=63, 9431/2.1=53...(30) QD1 LEU 122 + HB THR 65 OK 23 96 30 81 3.3-9.2 11110/2.1=64, ~9431=10...(15) QD1 LEU 53 - HB THR 65 poor 19 100 40 48 2.2-11.0 9431/2.1=13, ~9442=9...(11) QD2 LEU 122 - HB THR 65 poor 19 99 25 75 4.7-8.8 ~11110=54, 9431/2.1=13...(17) QD1 ILE 32 - HB THR 65 far 10 68 15 - 2.4-13.3 QG1 VAL 63 - HB THR 65 far 5 96 5 - 6.1-7.3 QD1 ILE 37 - HB THR 65 far 3 68 5 - 4.8-13.8 QD2 LEU 119 - HB THR 65 far 0 100 0 - 6.2-15.4 QD1 LEU 70 - HB THR 65 far 0 87 0 - 6.7-9.7 QD1 LEU 103 - HB THR 65 far 0 95 0 - 7.5-12.3 QD1 LEU 96 - HB THR 65 far 0 81 0 - 8.7-10.8 Violated in 5 structures by 0.10 A. Peak 9423 from aliabs.peaks (0.68, 4.06, 67.71 ppm; 5.22 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 62 + HB THR 65 OK 98 99 100 99 2.8-5.3 3.9/1970=67, 9432/2.1=65...(15) QD2 LEU 100 + HB THR 65 OK 34 100 40 84 4.7-9.5 9435/6853=29...(14) Violated in 0 structures by 0.00 A. Peak 9424 from aliabs.peaks (1.48, 4.06, 67.71 ppm; 6.35 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 52 + HB THR 65 OK 97 100 100 97 3.4-6.6 9232/9423=53...(10) HB2 LEU 49 + HB THR 65 OK 89 89 100 100 2.3-5.4 ~10960=87, ~10966=82...(36) HG3 LYS 36 - HB THR 65 far 4 81 5 - 7.8-18.6 HG2 LYS 31 - HB THR 65 far 4 76 5 - 6.2-20.6 Violated in 0 structures by 0.00 A. Peak 9426 from aliabs.peaks (2.20, 4.06, 67.71 ppm; 6.60 A): 3 out of 6 assignments used, quality = 1.00: HB2 GLN 68 + HB THR 65 OK 87 87 100 100 5.0-6.8 10050/2.1=88, ~2140=80...(20) HG2 GLN 68 + HB THR 65 OK 83 92 90 100 4.6-8.6 ~11016=92, 9479/2.1=87...(25) HB3 GLN 68 + HB THR 65 OK 79 83 95 100 6.4-8.2 ~11016=79, ~9479=75...(20) HB2 GLN 104 - HB THR 65 far 0 96 0 - 8.3-13.5 HB3 GLN 104 - HB THR 65 far 0 76 0 - 8.8-14.2 HB3 GLN 127 - HB THR 65 far 0 78 0 - 9.0-13.7 Violated in 0 structures by 0.00 A. Peak 9429 from aliabs.peaks (2.78, 3.97, 66.33 ppm; 6.00 A): 2 out of 3 assignments used, quality = 0.90: HB3 ASP 64 + HA THR 65 OK 70 71 100 99 4.0-5.6 6840/2.9=69...(9) HB2 ASP 64 + HA THR 65 OK 67 68 100 99 3.9-4.9 ~6840=80, ~2058=79...(8) HB3 ASP 71 - HA THR 65 far 0 57 0 - 7.8-10.8 Violated in 0 structures by 0.00 A. Peak 9430 from aliabs.peaks (0.91, 1.23, 22.77 ppm; 2.80 A): 4 out of 14 assignments used, quality = 0.98: QD1 LEU 49 + QG2 THR 65 OK 78 99 85 92 2.9-4.5 10966=37, 2.1/11025=28...(28) QD2 LEU 48 + QG2 THR 65 OK 70 97 75 96 2.0-5.4 10957=55, 2.1/9441=31...(25) QD1 LEU 48 + QG2 THR 65 OK 52 100 55 95 1.8-6.7 2.1/10957=39, 11848=34...(24) QD2 LEU 123 + QG2 THR 65 OK 28 76 60 62 2.0-6.6 11510=19, 2.1/11640=10...(18) QD1 LEU 62 - QG2 THR 65 poor 20 99 20 - 3.6-6.8 QD1 LEU 123 - QG2 THR 65 far 12 83 15 - 3.5-7.6 QG1 VAL 20 - QG2 THR 65 far 5 100 5 - 3.0-19.6 QG2 VAL 20 - QG2 THR 65 far 5 96 5 - 2.5-17.6 QG2 ILE 37 - QG2 THR 65 far 3 60 5 - 3.0-12.1 QG1 VAL 118 - QG2 THR 65 far 0 96 0 - 5.0-10.7 QG2 VAL 63 - QG2 THR 65 far 0 100 0 - 5.2-7.3 QD1 LEU 22 - QG2 THR 65 far 0 87 0 - 8.1-18.9 QG2 VAL 112 - QG2 THR 65 far 0 87 0 - 9.8-15.4 QD2 LEU 98 - QG2 THR 65 far 0 76 0 - 9.9-13.8 Violated in 7 structures by 0.05 A. Peak 9431 from aliabs.peaks (0.78, 1.23, 22.77 ppm; 3.49 A): 3 out of 10 assignments used, quality = 0.93: QD2 LEU 49 + QG2 THR 65 OK 88 89 100 99 1.7-3.4 2.1/10966=52...(36) QD2 LEU 122 + QG2 THR 65 OK 23 99 45 52 4.4-6.9 2.1/11110=26...(16) QD1 LEU 53 + QG2 THR 65 OK 22 95 40 58 2.4-7.6 4.3/9250=10, 2.1/9442=9...(15) QD2 LEU 119 - QG2 THR 65 far 15 98 15 - 4.3-12.0 QD1 ILE 32 - QG2 THR 65 poor 10 96 25 42 3.5-10.3 9009/11016=14...(9) QD1 LEU 122 - QG2 THR 65 poor 8 68 35 34 2.7-7.4 11422/11510=7...(13) QD1 ILE 37 - QG2 THR 65 far 5 96 5 - 3.1-11.6 QG1 VAL 63 - QG2 THR 65 far 0 100 0 - 5.2-6.9 QD1 LEU 96 - QG2 THR 65 far 0 99 0 - 6.0-8.5 QD1 LEU 103 - QG2 THR 65 far 0 100 0 - 6.7-10.3 Violated in 0 structures by 0.00 A. Peak 9432 from aliabs.peaks (0.69, 1.23, 22.77 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.97: QD2 LEU 62 + QG2 THR 65 OK 95 97 100 98 2.2-4.9 3.9/10993=43...(26) QD2 LEU 100 + QG2 THR 65 OK 41 98 60 69 4.1-8.0 9435/4.4=19, 9417/4.0=17...(12) QD1 LEU 43 - QG2 THR 65 far 0 97 0 - 9.5-11.3 Violated in 4 structures by 0.05 A. Peak 9440 from aliabs.peaks (1.48, 1.23, 22.77 ppm; 3.54 A): 2 out of 6 assignments used, quality = 0.97: QB ALA 52 + QG2 THR 65 OK 86 100 95 91 2.9-5.5 9247/11703=27...(21) HB2 LEU 49 + QG2 THR 65 OK 79 81 100 98 1.8-2.7 3.2/10966=41...(25) HG LEU 42 - QG2 THR 65 far 0 97 0 - 6.6-11.2 HG2 LYS 31 - QG2 THR 65 far 0 85 0 - 6.7-16.9 HG3 LYS 36 - QG2 THR 65 far 0 89 0 - 6.7-15.3 HG3 LYS 24 - QG2 THR 65 far 0 63 0 - 6.7-18.8 Violated in 0 structures by 0.00 A. Peak 9441 from aliabs.peaks (1.70, 1.23, 22.77 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.62: HG LEU 48 + QG2 THR 65 OK 62 89 70 100 2.7-7.2 2.1/10957=68, 11370=58...(17) HB2 LEU 70 - QG2 THR 65 far 0 98 0 - 6.4-9.2 HB3 LEU 70 - QG2 THR 65 far 0 87 0 - 6.5-9.0 HB2 LEU 43 - QG2 THR 65 far 0 99 0 - 9.7-11.9 Violated in 12 structures by 0.90 A. Peak 9442 from aliabs.peaks (1.92, 1.23, 22.77 ppm; 3.85 A): 3 out of 4 assignments used, quality = 1.00: HB3 LEU 49 + QG2 THR 65 OK 100 100 100 100 1.8-4.1 3.2/10966=48...(29) HB3 LEU 48 + QG2 THR 65 OK 42 76 55 100 2.5-7.2 1.8/10991=59...(20) HG LEU 53 + QG2 THR 65 OK 26 85 45 68 2.9-8.9 9253/9432=14...(16) HB2 GLU 30 - QG2 THR 65 far 8 78 10 - 4.8-16.6 Violated in 0 structures by 0.00 A. Peak 9443 from aliabs.peaks (2.20, 1.23, 22.77 ppm; 3.87 A): 3 out of 6 assignments used, quality = 0.82: HG2 GLN 68 + QG2 THR 65 OK 54 85 65 99 3.3-7.1 1.8/11016=57, 9479=36...(26) HB2 GLN 68 + QG2 THR 65 OK 50 78 65 99 4.0-6.3 3.0/11016=47...(23) HB3 GLN 68 + QG2 THR 65 OK 22 90 25 98 4.8-7.2 3.0/11016=47...(20) HB3 GLN 127 - QG2 THR 65 far 0 68 0 - 6.0-10.0 HB3 GLN 104 - QG2 THR 65 far 0 65 0 - 6.8-12.4 HB2 GLN 104 - QG2 THR 65 far 0 99 0 - 7.3-12.3 Violated in 14 structures by 0.40 A. Peak 9445 from aliabs.peaks (8.29, 1.23, 22.77 ppm; 3.97 A): 2 out of 11 assignments used, quality = 1.00: H LEU 49 + QG2 THR 65 OK 99 99 100 100 2.0-4.7 11703=81, 2.9/9200=44...(29) H LEU 69 + QG2 THR 65 OK 98 99 100 99 3.8-5.3 3.7/9443=58...(22) H GLU 30 - QG2 THR 65 far 7 71 10 - 5.0-15.1 H LEU 123 - QG2 THR 65 far 4 71 5 - 5.4-10.2 H VAL 126 - QG2 THR 65 far 0 95 0 - 5.9-10.3 H ALA 21 - QG2 THR 65 far 0 83 0 - 7.3-21.9 H TYR 72 - QG2 THR 65 far 0 60 0 - 7.6-9.3 H LEU 43 - QG2 THR 65 far 0 100 0 - 8.3-11.1 H ALA 110 - QG2 THR 65 far 0 76 0 - 9.5-19.1 H LEU 96 - QG2 THR 65 far 0 89 0 - 9.5-13.4 H ASP 131 - QG2 THR 65 far 0 83 0 - 9.7-12.8 Violated in 3 structures by 0.01 A. Peak 9446 from aliabs.peaks (8.06, 1.23, 22.77 ppm; 5.04 A): 1 out of 4 assignments used, quality = 0.95: H LEU 48 + QG2 THR 65 OK 95 95 100 100 3.8-6.4 9199=91, 4.0/11703=68...(16) H CYS 125 - QG2 THR 65 far 0 83 0 - 7.4-11.7 H SER 130 - QG2 THR 65 far 0 68 0 - 7.8-11.1 H LEU 103 - QG2 THR 65 far 0 73 0 - 9.5-12.9 Violated in 15 structures by 0.71 A. Peak 9448 from aliabs.peaks (0.80, 3.63, 47.54 ppm; 3.70 A): 9 out of 20 assignments used, quality = 1.00: QD2 LEU 49 + HA2 GLY 66 OK 92 98 100 94 1.8-4.7 9208=48, 9208/1.8=34...(25) QD2 LEU 49 + HA3 GLY 66 OK 89 100 95 93 2.8-5.6 9208=45, 9208/1.8=36...(23) QG1 VAL 63 + HA3 GLY 66 OK 58 83 80 87 4.4-5.8 ~2019=18, 9434/2.9=18...(22) QD1 LEU 70 + HA3 GLY 66 OK 49 97 85 59 3.5-6.5 11088/4.9=31...(7) QD1 LEU 70 + HA2 GLY 66 OK 47 95 85 58 2.9-6.4 11088/4.9=31...(6) QD2 LEU 122 + HA3 GLY 66 OK 37 90 100 41 2.0-4.6 11388/10035=8...(14) QD1 LEU 122 + HA3 GLY 66 OK 36 100 95 38 1.7-5.4 9487/10035=8, 9434/2.9=8...(14) QD1 LEU 122 + HA2 GLY 66 OK 32 98 85 38 1.8-6.2 9487/10035=8, 9434/2.9=8...(10) QD2 LEU 122 + HA2 GLY 66 OK 32 87 95 38 2.8-5.3 11388/10035=8...(10) QD1 LEU 96 - HA2 GLY 66 far 9 57 15 - 4.4-6.2 QD1 LEU 53 - HA2 GLY 66 lone 7 96 50 14 2.6-10.4 1585/9210=4, 9434/2.9=2...(6) QD1 LEU 53 - HA3 GLY 66 lone 6 98 50 13 2.8-9.9 1585/9210=3, 9434/2.9=2...(5) QD1 LEU 96 - HA3 GLY 66 far 6 60 10 - 4.4-6.8 QG1 VAL 63 - HA2 GLY 66 far 4 80 5 - 4.4-6.7 QD1 LEU 103 - HA3 GLY 66 far 0 81 0 - 5.5-10.3 QD2 LEU 119 - HA3 GLY 66 far 0 95 0 - 5.6-11.9 QD2 LEU 119 - HA2 GLY 66 far 0 92 0 - 6.4-13.0 QD1 LEU 103 - HA2 GLY 66 far 0 78 0 - 7.0-11.1 QG2 ILE 129 - HA2 GLY 66 far 0 75 0 - 8.0-10.0 QG2 ILE 129 - HA3 GLY 66 far 0 78 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 9449 from aliabs.peaks (0.67, 3.63, 47.54 ppm; 4.01 A): 4 out of 6 assignments used, quality = 1.00: QD2 LEU 62 + HA3 GLY 66 OK 92 99 100 93 2.7-4.3 9384/2.9=39...(24) QD2 LEU 100 + HA3 GLY 66 OK 91 98 95 98 1.9-5.6 2.1/10035=37, 10024=30...(26) QD2 LEU 62 + HA2 GLY 66 OK 90 97 100 92 3.6-4.7 9384/2.9=39...(21) QD2 LEU 100 + HA2 GLY 66 OK 70 96 75 98 3.4-6.3 2.1/10035=37, ~10045=29...(21) QD1 ILE 129 - HA2 GLY 66 far 0 82 0 - 6.2-8.2 QD1 ILE 129 - HA3 GLY 66 far 0 85 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 9450 from aliabs.peaks (6.82, 7.16, 118.77 ppm; 6.80 A): 0 out of 3 assignments used, quality = 0.00: QE TYR 72 - HD2 HIS 67 poor 12 95 50 25 5.5-10.7 11130/4.0=13...(4) HE21 GLN 101 - HD2 HIS 67 far 8 76 10 - 6.4-14.9 HE21 GLN 68 - HD2 HIS 67 lone 3 100 30 8 2.1-10.1 6899/11030=5 Violated in 14 structures by 0.52 A. Peak 9453 from aliabs.peaks (2.21, 3.34, 27.59 ppm; 6.38 A): 5 out of 8 assignments used, quality = 1.00: HG2 GLN 68 + HB2 HIS 67 OK 98 98 100 100 3.9-7.2 2150/4.4=87, 9452/3.8=37...(20) HB2 GLN 68 + HB2 HIS 67 OK 91 96 100 95 3.9-5.9 11036/3.0=48...(13) HB3 GLN 68 + HB2 HIS 67 OK 65 68 100 95 5.0-7.1 3.7/6882=44, ~11036=41...(15) HB2 GLN 104 + HB2 HIS 67 OK 36 87 90 45 2.8-8.5 10962/9465=19...(7) HB3 GLN 104 + HB2 HIS 67 OK 31 89 70 51 3.9-9.7 10962/9465=17...(9) HB2 GLN 101 - HB2 HIS 67 poor 7 100 25 29 6.2-10.7 11500/11093=11...(7) HB3 GLU 97 - HB2 HIS 67 far 5 95 5 - 7.0-11.0 HB3 GLU 102 - HB2 HIS 67 far 0 78 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 9456 from aliabs.peaks (2.75, 3.41, 27.59 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: HB2 ASP 64 + HB3 HIS 67 OK 100 100 100 100 5.2-7.2 3.0/2046=100, ~2102=88...(7) Violated in 6 structures by 0.08 A. Peak 9457 from aliabs.peaks (2.21, 3.41, 27.59 ppm; 6.80 A): 5 out of 8 assignments used, quality = 1.00: HG2 GLN 68 + HB3 HIS 67 OK 98 98 100 100 3.6-7.1 2150/6883=93...(18) HB2 GLN 68 + HB3 HIS 67 OK 95 96 100 100 4.1-5.9 3.7/6883=97...(11) HB3 GLN 68 + HB3 HIS 67 OK 68 68 100 100 5.4-7.2 3.7/6883=97, ~11036=44...(13) HB2 GLN 104 + HB3 HIS 67 OK 39 87 100 45 2.4-8.0 10962/9468=19...(7) HB3 GLN 104 + HB3 HIS 67 OK 39 89 90 48 2.7-8.8 10962/9468=17...(8) HB3 GLU 97 - HB3 HIS 67 poor 19 95 20 - 7.7-11.6 HB2 GLN 101 - HB3 HIS 67 lone 9 100 50 18 6.5-10.1 11013/3.0=6...(5) HB3 GLU 102 - HB3 HIS 67 far 0 78 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 9462 from aliabs.peaks (0.82, 4.21, 58.74 ppm; 3.71 A): 1 out of 13 assignments used, quality = 0.97: QD1 LEU 70 + HA HIS 67 OK 97 97 100 100 2.0-4.9 11102=87, 2.1/11089=67...(24) QD1 LEU 122 - HA HIS 67 far 14 90 15 - 3.2-7.7 QG2 ILE 32 - HA HIS 67 far 9 89 10 - 4.9-11.8 QD2 LEU 49 - HA HIS 67 far 0 71 0 - 5.5-8.1 QD1 LEU 53 - HA GLU 128 far 0 22 0 - 5.9-10.6 QG2 ILE 129 - HA GLU 128 far 0 46 0 - 6.0-6.1 QG1 VAL 133 - HA GLU 128 far 0 36 0 - 6.3-6.9 QD1 LEU 53 - HA HIS 67 far 0 60 0 - 6.3-13.8 QD2 LEU 49 - HA GLU 128 far 0 26 0 - 7.9-9.5 QD1 LEU 122 - HA GLU 128 far 0 37 0 - 8.7-11.3 QD1 LEU 70 - HA GLU 128 far 0 42 0 - 8.9-13.3 QG2 ILE 129 - HA HIS 67 far 0 100 0 - 9.2-11.0 QG2 ILE 80 - HA GLU 128 far 0 44 0 - 9.6-12.4 Violated in 4 structures by 0.10 A. Peak 9463 from aliabs.peaks (0.60, 4.21, 58.74 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 100 + HA HIS 67 OK 100 100 100 100 1.8-2.6 10037=100...(22) Violated in 0 structures by 0.00 A. Peak 9464 from aliabs.peaks (1.68, 3.34, 27.59 ppm; 6.05 A): 1 out of 9 assignments used, quality = 0.36: HB2 LEU 69 + HB2 HIS 67 OK 36 68 80 66 6.5-8.6 9458/3.8=29, 1.8/9494=18...(9) HD3 LYS 31 - HB2 HIS 67 far 13 87 15 - 3.8-17.0 HD2 LYS 31 - HB2 HIS 67 far 8 81 10 - 4.1-17.4 HD2 LYS 36 - HB2 HIS 67 far 5 93 5 - 6.5-14.4 HD3 LYS 36 - HB2 HIS 67 far 5 92 5 - 7.1-15.6 HD2 LYS 24 - HB2 HIS 67 far 0 92 0 - 7.7-26.3 HD3 LYS 24 - HB2 HIS 67 far 0 76 0 - 8.3-25.1 HD2 LYS 26 - HB2 HIS 67 far 0 89 0 - 8.9-20.1 HB2 LEU 123 - HB2 HIS 67 far 0 65 0 - 9.2-14.1 Violated in 20 structures by 1.13 A. Peak 9465 from aliabs.peaks (0.79, 3.34, 27.59 ppm; 4.92 A): 3 out of 11 assignments used, quality = 1.00: QG1 VAL 63 + HB2 HIS 67 OK 98 99 100 99 2.5-4.2 9406/4.0=74...(18) QD1 LEU 70 + HB2 HIS 67 OK 74 78 95 100 3.8-7.3 11088/3.0=58, ~11089=56...(25) QD2 LEU 122 + HB2 HIS 67 OK 22 100 25 88 5.2-8.3 9258/1.8=75, 9460/3.8=11...(12) QD1 LEU 122 - HB2 HIS 67 poor 17 90 25 77 3.5-9.4 ~9258=55, ~9468=11...(12) QD1 LEU 103 - HB2 HIS 67 far 10 98 10 - 5.6-10.2 QD1 ILE 32 - HB2 HIS 67 poor 10 78 40 31 2.4-9.8 9411/2102=13, 9468/1.8=5...(11) QD2 LEU 49 - HB2 HIS 67 far 5 99 5 - 6.3-8.3 QD1 ILE 37 - HB2 HIS 67 far 0 78 0 - 6.5-12.5 QD1 LEU 96 - HB2 HIS 67 far 0 89 0 - 6.7-8.7 QD1 LEU 53 - HB2 HIS 67 far 0 100 0 - 7.0-14.6 QD2 LEU 119 - HB2 HIS 67 far 0 100 0 - 7.3-14.7 Violated in 0 structures by 0.00 A. Peak 9466 from aliabs.peaks (0.63, 3.34, 27.59 ppm; 6.80 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 42 - HB2 HIS 67 far 0 100 0 - 9.0-12.3 QD1 ILE 129 - HB2 HIS 67 far 0 90 0 - 9.3-11.7 Violated in 20 structures by 2.59 A. Peak 9467 from aliabs.peaks (1.69, 3.41, 27.59 ppm; 6.09 A): 2 out of 2 assignments used, quality = 0.99: HB2 LEU 70 + HB3 HIS 67 OK 97 97 100 100 4.6-7.5 ~9462=65, ~11088=64...(34) HB3 LEU 70 + HB3 HIS 67 OK 83 83 100 100 4.7-7.3 ~9462=65, ~11088=64...(31) Violated in 0 structures by 0.00 A. Peak 9468 from aliabs.peaks (0.79, 3.41, 27.59 ppm; 4.84 A): 3 out of 11 assignments used, quality = 1.00: QG1 VAL 63 + HB3 HIS 67 OK 97 99 100 98 2.1-4.6 9406/4.0=72...(13) QD1 LEU 70 + HB3 HIS 67 OK 74 78 95 100 3.8-6.7 11088/3.0=57, ~11089=54...(21) QD2 LEU 122 + HB3 HIS 67 OK 41 100 45 91 5.2-8.7 9258=83, 9465/1.8=11...(11) QD1 LEU 122 - HB3 HIS 67 poor 18 90 25 81 3.9-8.9 2.1/9258=69, ~9465=8...(11) QD1 ILE 32 - HB3 HIS 67 poor 13 78 40 40 2.7-10.4 10846/9456=20...(7) QD1 LEU 53 - HB3 HIS 67 far 5 100 5 - 6.3-14.5 QD1 LEU 96 - HB3 HIS 67 far 4 89 5 - 6.0-8.6 QD1 LEU 103 - HB3 HIS 67 far 0 98 0 - 6.4-9.7 QD2 LEU 49 - HB3 HIS 67 far 0 99 0 - 6.4-8.9 QD1 ILE 37 - HB3 HIS 67 far 0 78 0 - 7.4-13.0 QD2 LEU 119 - HB3 HIS 67 far 0 100 0 - 8.1-13.8 Violated in 0 structures by 0.00 A. Peak 9470 from aliabs.peaks (0.80, 7.16, 118.77 ppm; 5.01 A): 2 out of 9 assignments used, quality = 0.99: QG1 VAL 63 + HD2 HIS 67 OK 90 90 100 100 1.9-5.6 9406=83, 2.1/10982=80...(9) QD1 LEU 70 + HD2 HIS 67 OK 89 93 95 100 2.3-7.5 2.1/11081=90, 11080=90...(12) QD2 LEU 122 - HD2 HIS 67 poor 19 96 20 - 5.8-7.9 QD1 LEU 103 - HD2 HIS 67 poor 18 89 20 - 4.8-11.6 QD1 LEU 122 - HD2 HIS 67 far 15 99 15 - 5.1-9.1 QD1 LEU 96 - HD2 HIS 67 lone 4 71 45 14 4.8-9.3 11388/10044=7...(4) QD2 LEU 49 - HD2 HIS 67 far 0 100 0 - 7.4-9.9 QD1 LEU 53 - HD2 HIS 67 far 0 100 0 - 7.7-15.9 QD2 LEU 119 - HD2 HIS 67 far 0 98 0 - 8.8-14.0 Violated in 1 structures by 0.02 A. Peak 9478 from aliabs.peaks (0.79, 2.21, 33.81 ppm; 5.55 A): 5 out of 10 assignments used, quality = 0.95: QD1 ILE 32 + HG2 GLN 68 OK 71 81 90 98 2.6-8.9 ~11018=61, 9009/1.8=40...(20) QD2 LEU 49 + HG2 GLN 68 OK 59 99 70 85 2.8-8.7 9431/9479=42...(13) QD1 ILE 37 + HG2 GLN 68 OK 29 81 45 80 3.9-9.5 9025/11830=52...(11) QD1 LEU 70 + HG2 GLN 68 OK 24 76 45 71 5.6-8.6 9511/11024=22...(15) QG1 VAL 63 + HG2 GLN 68 OK 21 99 40 52 5.8-8.1 9419/2065=10...(10) QD1 LEU 53 - HG2 GLN 68 far 10 100 10 - 5.5-15.0 QD2 LEU 122 - HG2 GLN 68 far 10 100 10 - 7.0-11.0 QD1 LEU 122 - HG2 GLN 68 far 9 89 10 - 5.9-12.5 QD1 LEU 96 - HG2 GLN 68 far 0 90 0 - 7.1-9.7 QD1 LEU 103 - HG2 GLN 68 far 0 99 0 - 9.7-13.7 Violated in 1 structures by 0.01 A. Peak 9479 from aliabs.peaks (1.22, 2.21, 33.81 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.69: QG2 THR 65 + HG2 GLN 68 OK 69 98 70 100 3.3-7.1 11016/1.8=87, ~11023=47...(29) Violated in 9 structures by 0.62 A. Peak 9480 from aliabs.peaks (3.37, 2.21, 33.81 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.92: HB2 HIS 67 + HG2 GLN 68 OK 76 76 100 100 3.9-7.2 4.4/2150=94, 3.8/9452=38...(21) HB3 TYR 72 + HG2 GLN 68 OK 57 71 80 100 5.7-8.6 2.7/9481=99...(9) HA VAL 63 + HG2 GLN 68 OK 24 100 55 44 7.1-9.4 6860/9452=21...(6) Violated in 0 structures by 0.00 A. Peak 9481 from aliabs.peaks (7.14, 2.21, 33.81 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.95: QD TYR 72 + HG2 GLN 68 OK 95 100 95 100 3.9-6.3 2.2/11830=85...(25) HD2 HIS 67 - HG2 GLN 68 far 4 78 5 - 2.6-8.9 Violated in 15 structures by 0.45 A. Peak 9482 from aliabs.peaks (7.15, 2.32, 33.81 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.77: QD TYR 72 + HG3 GLN 68 OK 77 97 80 100 3.3-6.9 9481/1.8=80, ~11830=65...(23) HD2 HIS 67 - HG3 GLN 68 far 5 92 5 - 4.3-9.8 Violated in 9 structures by 0.53 A. Peak 9484 from aliabs.peaks (0.29, 3.88, 58.34 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA LEU 70 OK 100 100 100 100 3.9-5.2 9485/2269=72...(23) QD1 ILE 80 - HA LEU 70 far 0 68 0 - 9.0-11.8 Violated in 5 structures by 0.05 A. Peak 9485 from aliabs.peaks (0.28, 0.86, 25.01 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.63: QG2 VAL 93 + QD2 LEU 70 OK 63 98 65 100 3.4-6.5 11407/2.1=59...(28) QD1 ILE 80 - QD2 LEU 70 far 0 93 0 - 8.3-11.4 Violated in 18 structures by 1.26 A. Peak 9486 from aliabs.peaks (2.41, 0.86, 25.01 ppm; 3.43 A): 1 out of 5 assignments used, quality = 0.89: HG3 GLU 97 + QD2 LEU 70 OK 89 99 90 99 1.8-5.4 9489/2.1=44...(33) HG2 GLN 101 - QD2 LEU 70 poor 17 83 20 - 4.3-8.9 HG2 GLN 104 - QD2 LEU 70 far 7 65 10 - 4.5-10.6 HG3 GLU 128 - QD2 LEU 70 far 0 92 0 - 8.2-13.3 HG3 GLN 61 - QD2 LEU 70 far 0 100 0 - 9.6-13.5 Violated in 11 structures by 0.40 A. Peak 9487 from aliabs.peaks (0.61, 0.81, 25.48 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 100 + QD1 LEU 70 OK 95 96 100 99 1.7-4.1 11115/2.1=59...(47) QD1 LEU 100 + QD1 LEU 122 OK 55 88 65 97 1.8-5.1 11388/2.1=27...(51) QD1 LEU 42 - QD1 LEU 70 far 0 76 0 - 5.5-10.2 QD1 LEU 42 - QD1 LEU 122 far 0 67 0 - 7.3-11.2 Violated in 2 structures by 0.05 A. Peak 9488 from aliabs.peaks (1.39, 0.81, 25.48 ppm; 3.76 A): 5 out of 29 assignments used, quality = 1.00: HG LEU 96 + QD1 LEU 70 OK 97 99 100 98 1.6-4.5 11917/2.1=34...(43) HB2 LEU 96 + QD1 LEU 70 OK 82 98 85 98 2.4-6.5 11916/2.1=36...(45) HB3 LEU 100 + QD1 LEU 122 OK 81 82 100 99 1.9-4.2 3.2/9487=23...(59) HB3 LEU 100 + QD1 LEU 70 OK 80 90 90 98 2.2-6.2 3.2/9487=50, ~11115=31...(38) HB2 LEU 96 + QD1 LEU 122 OK 47 91 55 94 2.6-7.6 3072/2.1=13, 3.0/3893=11...(56) HG LEU 96 - QD1 LEU 122 poor 18 92 25 80 2.7-8.1 11918/9487=13...(32) QB ALA 29 - QD1 LEU 70 far 5 97 5 - 2.8-11.9 QB ALA 34 - QD1 LEU 70 far 0 71 0 - 5.7-14.2 QB ALA 110 - QD1 LEU 122 far 0 92 0 - 5.8-13.3 QB ALA 108 - QD1 LEU 70 far 0 97 0 - 6.1-13.2 QB ALA 109 - QD1 LEU 122 far 0 95 0 - 6.1-11.8 QB ALA 29 - QD1 LEU 122 far 0 89 0 - 6.4-11.9 QB ALA 108 - QD1 LEU 122 far 0 90 0 - 6.5-11.7 QB ALA 109 - QD1 LEU 70 far 0 100 0 - 6.8-13.3 HG3 LYS 95 - QD1 LEU 70 far 0 100 0 - 7.0-11.1 QB ALA 28 - QD1 LEU 70 far 0 100 0 - 7.0-15.9 HG3 LYS 26 - QD1 LEU 122 far 0 92 0 - 7.2-18.6 HG2 LYS 95 - QD1 LEU 70 far 0 100 0 - 7.3-11.5 HG3 LYS 31 - QD1 LEU 70 far 0 100 0 - 7.4-17.4 HG2 LYS 95 - QD1 LEU 122 far 0 95 0 - 7.6-11.2 HG3 LYS 95 - QD1 LEU 122 far 0 94 0 - 7.8-11.0 QB ALA 110 - QD1 LEU 70 far 0 99 0 - 7.9-17.6 HG2 LYS 36 - QD1 LEU 70 far 0 98 0 - 8.2-13.9 QB ALA 15 - QD1 LEU 70 far 0 99 0 - 8.3-29.2 HB2 LEU 42 - QD1 LEU 70 far 0 90 0 - 8.9-12.0 QB ALA 28 - QD1 LEU 122 far 0 94 0 - 8.9-13.0 QB ALA 34 - QD1 LEU 122 far 0 62 0 - 9.3-17.6 HG2 LYS 36 - QD1 LEU 122 far 0 91 0 - 9.7-19.3 HG2 LYS 24 - QD1 LEU 122 far 0 86 0 - 9.9-24.3 Violated in 0 structures by 0.00 A. Peak 9489 from aliabs.peaks (2.42, 0.81, 25.48 ppm; 4.13 A): 2 out of 9 assignments used, quality = 0.84: HG3 GLU 97 + QD1 LEU 70 OK 70 73 95 100 1.7-6.5 9486/2.1=64...(29) HG2 GLN 101 + QD1 LEU 70 OK 49 100 55 88 4.6-8.3 3112/10000=23...(23) HG3 GLU 97 - QD1 LEU 122 far 3 65 5 - 4.8-9.6 HG3 GLN 61 - QD1 LEU 122 far 0 78 0 - 6.4-10.5 HG2 GLN 101 - QD1 LEU 122 far 0 95 0 - 6.8-10.0 HG3 GLU 128 - QD1 LEU 122 far 0 94 0 - 8.6-12.1 HG2 GLU 55 - QD1 LEU 122 far 0 65 0 - 8.7-13.1 HG3 GLU 128 - QD1 LEU 70 far 0 100 0 - 8.9-14.1 HB3 PRO 58 - QD1 LEU 122 far 0 82 0 - 9.0-14.3 Violated in 3 structures by 0.17 A. Peak 9490 from aliabs.peaks (2.73, 0.81, 25.48 ppm; 4.88 A): 3 out of 8 assignments used, quality = 0.91: HB2 CYS 125 + QD1 LEU 122 OK 66 95 70 100 3.4-7.1 11653/3.1=58...(27) HB2 CYS 73 + QD1 LEU 70 OK 48 99 50 96 3.8-7.6 2232/2261=64...(17) HB2 CYS 125 + QD1 LEU 70 OK 47 100 60 79 4.2-9.1 1.8/9498=41...(16) HB2 CYS 73 - QD1 LEU 122 far 5 92 5 - 6.3-11.1 HB2 ASP 64 - QD1 LEU 122 far 4 74 5 - 5.9-10.6 HB2 ASP 64 - QD1 LEU 70 far 0 83 0 - 8.9-11.3 HB2 ASP 47 - QD1 LEU 122 far 0 83 0 - 9.7-12.6 HB3 ASP 78 - QD1 LEU 70 far 0 99 0 - 9.9-14.1 Violated in 10 structures by 0.27 A. Peak 9495 from aliabs.peaks (3.28, 0.86, 25.01 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.61: HA VAL 93 + QD2 LEU 70 OK 61 73 85 98 3.3-6.6 3.2/9485=65, ~11407=35...(25) Violated in 16 structures by 0.74 A. Peak 9496 from aliabs.peaks (2.24, 0.86, 25.01 ppm; 3.22 A): 3 out of 11 assignments used, quality = 0.95: HB3 LEU 96 + QD2 LEU 70 OK 75 99 80 94 2.1-5.5 1.8/11916=25...(39) HG2 GLU 97 + QD2 LEU 70 OK 64 99 65 100 1.9-5.8 1.8/9486=64...(31) HB3 GLU 97 + QD2 LEU 70 OK 44 89 50 100 2.3-6.0 2.9/9486=47...(35) HB3 GLN 104 - QD2 LEU 70 far 5 95 5 - 4.2-11.3 HG2 GLN 68 - QD2 LEU 70 far 0 81 0 - 5.1-8.8 HB2 GLN 68 - QD2 LEU 70 far 0 87 0 - 5.5-8.4 HB3 GLU 102 - QD2 LEU 70 far 0 99 0 - 6.6-10.5 HB3 GLN 127 - QD2 LEU 70 far 0 93 0 - 7.1-12.4 HB3 GLU 128 - QD2 LEU 70 far 0 100 0 - 7.8-11.4 HG2 GLU 91 - QD2 LEU 70 far 0 68 0 - 9.0-13.6 HB VAL 105 - QD2 LEU 70 far 0 60 0 - 9.2-13.2 Violated in 7 structures by 0.15 A. Peak 9497 from aliabs.peaks (3.33, 0.81, 25.48 ppm; 4.58 A): 2 out of 8 assignments used, quality = 0.90: HB2 HIS 67 + QD1 LEU 70 OK 77 90 85 100 3.8-7.3 3.0/11088=78...(24) HB3 CYS 73 + QD1 LEU 70 OK 56 89 65 97 3.5-7.5 1.8/9490=51...(15) HB3 TYR 72 - QD1 LEU 70 far 9 93 10 - 5.8-9.6 HB2 HIS 67 - QD1 LEU 122 far 8 82 10 - 3.5-9.4 HB3 CYS 73 - QD1 LEU 122 far 0 80 0 - 6.7-11.1 HB3 TYR 72 - QD1 LEU 122 far 0 85 0 - 8.0-12.2 HB2 PHE 89 - QD1 LEU 70 far 0 98 0 - 9.7-12.3 HB3 PHE 89 - QD1 LEU 70 far 0 96 0 - 9.8-12.6 Violated in 14 structures by 0.25 A. Peak 9498 from aliabs.peaks (3.22, 0.81, 25.48 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.81: HB3 CYS 125 + QD1 LEU 122 OK 63 74 85 100 3.7-7.1 ~11828=62, ~11653=47...(26) HB3 CYS 125 + QD1 LEU 70 OK 49 83 75 78 5.1-8.9 1.8/9490=34, ~11094=23...(17) Violated in 8 structures by 0.27 A. Peak 9504 from aliabs.peaks (8.30, 7.14, 131.84 ppm; 5.15 A): 3 out of 9 assignments used, quality = 1.00: H LEU 69 + QD TYR 72 OK 100 100 100 100 4.3-4.8 2.9/11028=79...(37) H TYR 72 + QD TYR 72 OK 71 71 100 100 2.4-3.4 4.5=100 H LEU 43 + QD TYR 72 OK 58 98 60 99 5.7-7.3 3.6/9113=71...(15) H GLU 40 - QD TYR 72 far 0 98 0 - 6.7-10.3 H LEU 49 - QD TYR 72 far 0 100 0 - 8.0-10.4 H VAL 126 - QD TYR 72 far 0 89 0 - 8.1-12.2 H GLU 30 - QD TYR 72 far 0 60 0 - 8.1-14.9 H ASP 131 - QD TYR 72 far 0 73 0 - 8.4-11.9 H ALA 21 - QD TYR 72 far 0 90 0 - 9.5-23.1 Violated in 0 structures by 0.00 A. Peak 9509 from aliabs.peaks (1.68, 4.42, 57.33 ppm; 4.84 A): 1 out of 8 assignments used, quality = 0.65: HB2 LEU 70 + HA ASP 71 OK 65 65 100 100 4.0-5.6 3.0/11117=56...(23) HD2 LYS 36 - HA ASP 71 far 4 89 5 - 6.2-14.3 HD3 LYS 31 - HA ASP 71 far 4 81 5 - 5.6-19.5 HD2 LYS 31 - HA ASP 71 far 4 73 5 - 6.0-19.6 HD3 LYS 36 - HA ASP 71 far 0 87 0 - 6.8-15.0 HB2 LEU 69 - HA ASP 71 far 0 60 0 - 7.3-8.2 HD2 LYS 26 - HA ASP 71 far 0 83 0 - 7.9-22.2 HD3 LYS 26 - HA ASP 71 far 0 89 0 - 8.1-22.7 Violated in 10 structures by 0.23 A. Peak 9511 from aliabs.peaks (0.81, 2.81, 39.26 ppm; 6.80 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 70 + HB3 ASP 71 OK 100 100 100 100 2.7-7.0 6964/6968=93, ~11117=73...(13) QG2 ILE 32 + HB3 ASP 71 OK 45 60 75 99 2.3-11.2 2.1/10764=94, ~10848=81...(6) QD2 LEU 49 + HB3 ASP 71 OK 25 95 45 58 7.4-9.9 11250/9499=30...(6) QD1 LEU 122 - HB3 ASP 71 far 15 100 15 - 7.7-12.0 QD2 LEU 122 - HB3 ASP 71 far 11 73 15 - 7.9-10.7 QG1 VAL 63 - HB3 ASP 71 lone 8 63 65 19 7.4-9.5 9406/11926=10...(4) QG2 ILE 129 - HB3 ASP 71 far 0 93 0 - 8.6-10.3 QD1 LEU 53 - HB3 ASP 71 far 0 89 0 - 9.3-16.7 QD1 LEU 103 - HB3 ASP 71 far 0 60 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 9513 from aliabs.peaks (1.49, 3.34, 37.59 ppm; 6.13 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 42 + HB3 TYR 72 OK 99 99 100 100 2.9-6.1 2.1/9091=98, 9090/1.8=91...(25) HG LEU 69 + HB3 TYR 72 OK 69 81 85 100 4.2-8.1 2.1/9514=90, 3.7/2178=84...(22) HB2 LEU 49 - HB3 TYR 72 far 0 100 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 9514 from aliabs.peaks (1.00, 3.34, 37.59 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 69 + HB3 TYR 72 OK 97 97 100 100 2.5-6.7 11064/2.7=90...(26) Violated in 1 structures by 0.06 A. Peak 9515 from aliabs.peaks (0.63, 3.34, 37.59 ppm; 5.70 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 42 + HB3 TYR 72 OK 99 99 100 100 1.9-5.1 10874/1.8=98, 9091=96...(35) QD1 ILE 129 + HB3 TYR 72 OK 31 73 50 86 6.4-8.9 9565/4.4=31, ~11135=27...(14) QD1 LEU 100 - HB3 TYR 72 far 0 63 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 9516 from aliabs.peaks (1.50, 3.02, 37.59 ppm; 5.33 A): 2 out of 3 assignments used, quality = 0.96: HG LEU 42 + HB2 TYR 72 OK 90 90 100 100 3.6-5.7 2.1/10874=92...(25) HG LEU 69 + HB2 TYR 72 OK 57 95 60 100 4.2-8.7 ~11064=64, ~11080=64...(26) HB2 LEU 49 - HB2 TYR 72 far 0 99 0 - 8.9-13.0 Violated in 1 structures by 0.01 A. Peak 9517 from aliabs.peaks (0.93, 3.02, 37.59 ppm; 5.84 A): 1 out of 5 assignments used, quality = 1.00: QG2 ILE 37 + HB2 TYR 72 OK 100 100 100 100 1.9-5.9 10825/1.8=99...(33) QG1 VAL 126 - HB2 TYR 72 poor 13 65 20 - 5.8-11.0 QD1 LEU 48 - HB2 TYR 72 far 4 83 5 - 7.3-12.2 QD1 LEU 49 - HB2 TYR 72 far 0 89 0 - 7.6-11.1 QG1 VAL 20 - HB2 TYR 72 far 0 81 0 - 8.5-24.0 Violated in 1 structures by 0.00 A. Peak 9518 from aliabs.peaks (0.79, 3.02, 37.59 ppm; 5.58 A): 2 out of 10 assignments used, quality = 0.80: QD1 ILE 37 + HB2 TYR 72 OK 74 78 95 100 1.6-7.3 3.0/9010=72, ~10825=70...(27) QD1 ILE 32 + HB2 TYR 72 OK 22 78 45 63 5.1-11.6 10827/2177=29...(5) QD2 LEU 49 - HB2 TYR 72 poor 20 99 20 - 5.8-9.1 QD1 LEU 96 - HB2 TYR 72 poor 17 89 35 56 5.4-9.1 11812/2177=26...(8) QD1 LEU 70 - HB2 TYR 72 far 12 78 15 - 6.1-9.4 QG2 ILE 80 - HB2 TYR 72 far 0 71 0 - 7.4-12.5 QD2 LEU 122 - HB2 TYR 72 far 0 100 0 - 8.2-13.5 QD1 LEU 53 - HB2 TYR 72 far 0 100 0 - 8.8-15.9 QD1 LEU 122 - HB2 TYR 72 far 0 90 0 - 8.9-13.6 HG13 ILE 80 - HB2 TYR 72 far 0 78 0 - 9.2-13.3 Violated in 1 structures by 0.08 A. Peak 9519 from aliabs.peaks (0.63, 3.02, 37.59 ppm; 5.81 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HB2 TYR 72 OK 100 100 100 100 1.9-4.3 9091/1.8=100, 10874=99...(29) QD1 ILE 129 - HB2 TYR 72 poor 19 90 25 86 6.2-10.1 9565/4.4=35, ~11135=28...(9) Violated in 0 structures by 0.00 A. Peak 9525 from aliabs.peaks (2.19, 7.14, 131.84 ppm; 5.26 A): 3 out of 4 assignments used, quality = 1.00: HB3 GLN 68 + QD TYR 72 OK 99 99 100 100 3.9-5.8 3.0/9482=78, 3.0/9481=76...(27) HB3 LEU 69 + QD TYR 72 OK 60 60 100 100 3.3-5.4 3.2/11064=84...(51) HG2 GLN 68 + QD TYR 72 OK 60 60 100 100 3.9-6.3 1.8/9482=92, ~9549=61...(22) HB VAL 133 - QD TYR 72 far 15 100 15 - 6.2-10.4 Violated in 0 structures by 0.00 A. Peak 9526 from aliabs.peaks (1.19, 7.14, 131.84 ppm; 5.02 A): 1 out of 5 assignments used, quality = 0.92: QB ALA 41 + QD TYR 72 OK 92 92 100 100 3.3-5.6 9062=86, 9063/2.2=85...(16) QG2 VAL 77 - QD TYR 72 far 5 100 5 - 6.0-9.9 QG2 THR 25 - QD TYR 72 far 5 93 5 - 6.4-18.8 HG12 ILE 80 - QD TYR 72 far 0 83 0 - 6.8-13.4 QG2 THR 18 - QD TYR 72 far 0 68 0 - 8.9-23.5 Violated in 7 structures by 0.08 A. Peak 9527 from aliabs.peaks (0.97, 7.14, 131.84 ppm; 4.61 A): 0 out of 3 assignments used, quality = 0.00: QG2 VAL 126 - QD TYR 72 poor 17 95 35 52 4.9-8.4 11688/11028=15...(9) QG1 VAL 126 - QD TYR 72 far 13 85 15 - 5.0-9.4 QD2 LEU 53 - QD TYR 72 far 0 98 0 - 9.5-14.4 Violated in 20 structures by 1.18 A. Peak 9528 from aliabs.peaks (0.76, 7.14, 131.84 ppm; 4.88 A): 3 out of 9 assignments used, quality = 1.00: QD1 ILE 37 + QD TYR 72 OK 98 98 100 100 1.8-5.4 9024=89, 1115/9022=87...(45) QD1 ILE 32 + QD TYR 72 OK 66 98 70 96 3.3-9.7 10827/11028=40...(25) QD1 LEU 96 + QD TYR 72 OK 25 93 35 76 5.3-7.7 11037/11064=27...(11) QD2 LEU 43 - QD TYR 72 poor 18 92 25 80 5.3-8.3 9129/9108=47...(8) QG1 VAL 93 - QD TYR 72 poor 13 98 25 53 5.4-8.0 11431=28, 11329/6996=17...(7) QD2 LEU 96 - QD TYR 72 far 5 97 5 - 5.4-8.4 HG12 ILE 129 - QD TYR 72 far 0 95 0 - 7.3-11.4 QD2 LEU 122 - QD TYR 72 far 0 65 0 - 7.9-10.9 QG1 VAL 63 - QD TYR 72 far 0 76 0 - 9.4-10.4 Violated in 1 structures by 0.01 A. Peak 9529 from aliabs.peaks (4.37, 3.02, 37.59 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: HA CYS 73 + HB2 TYR 72 OK 99 100 100 100 4.1-5.7 9536/3.8=90, ~6996=68...(13) HA LEU 69 + HB2 TYR 72 OK 73 73 100 100 2.5-5.4 9530/1.8=85, 6973/3.8=73...(24) HA SER 33 - HB2 TYR 72 lone 5 83 50 12 5.6-12.5 10115/9518=6, 10788/9518=4 Violated in 0 structures by 0.00 A. Peak 9530 from aliabs.peaks (4.35, 3.34, 37.59 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: HA LEU 69 + HB3 TYR 72 OK 100 100 100 100 2.5-5.2 2178=100, 6973/3.8=100...(27) HA CYS 73 + HB3 TYR 72 OK 63 63 100 100 4.0-5.6 9529/1.8=75, ~6996=68...(15) HA2 GLY 75 + HB3 TYR 72 OK 61 73 100 84 5.9-7.3 9531/2.7=35, 6988/4.4=29...(8) HA LYS 24 - HB3 TYR 72 far 0 83 0 - 10.0-25.4 Violated in 0 structures by 0.00 A. Peak 9531 from aliabs.peaks (4.34, 7.14, 131.84 ppm; 4.73 A): 2 out of 7 assignments used, quality = 0.99: HA LEU 69 + QD TYR 72 OK 97 97 100 100 1.7-2.8 11028=89, 6973/6983=74...(33) HA2 GLY 75 + QD TYR 72 OK 61 96 85 75 5.2-6.5 9604/9024=24...(9) HA LYS 24 - QD TYR 72 far 0 99 0 - 7.6-21.2 HA ASP 47 - QD TYR 72 far 0 100 0 - 9.1-11.6 HA ASP 131 - QD TYR 72 far 0 60 0 - 9.8-13.3 HA CYS 125 - QD TYR 72 far 0 85 0 - 9.9-14.2 HA GLN 134 - QD TYR 72 far 0 90 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 9538 from aliabs.peaks (7.31, 4.38, 64.33 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.96: HZ PHE 89 + HA CYS 73 OK 96 98 100 98 1.7-2.8 2.2/11145=63...(17) HE ARG 90 - HA CYS 73 far 0 73 0 - 8.1-11.1 Violated in 0 structures by 0.00 A. Peak 9540 from aliabs.peaks (4.34, 6.80, 117.87 ppm; 5.94 A): 1 out of 6 assignments used, quality = 0.99: HA LEU 69 + QE TYR 72 OK 99 99 100 100 2.2-3.5 11028/2.2=97...(28) HA2 GLY 75 - QE TYR 72 far 14 92 15 - 7.1-8.5 HA LYS 24 - QE TYR 72 far 10 97 10 - 6.5-20.8 HA ASP 47 - QE TYR 72 far 5 100 5 - 7.4-12.2 HA CYS 125 - QE TYR 72 far 0 90 0 - 8.2-15.6 HA GLN 134 - QE TYR 72 far 0 95 0 - 8.8-15.2 Violated in 0 structures by 0.00 A. Peak 9541 from aliabs.peaks (4.53, 6.80, 117.87 ppm; 5.25 A): 1 out of 3 assignments used, quality = 0.92: HA TYR 72 + QE TYR 72 OK 92 92 100 100 4.3-5.6 5.2=100 HA SER 38 - QE TYR 72 far 5 90 5 - 2.9-10.1 HA ASP 35 - QE TYR 72 far 4 81 5 - 6.5-10.8 Violated in 5 structures by 0.07 A. Peak 9547 from aliabs.peaks (3.10, 6.80, 117.87 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.93: HB3 CYS 45 + QE TYR 72 OK 93 93 100 100 2.2-5.2 9146=88, 1.8/9144=81...(20) HB2 HIS 7 - QE TYR 72 far 0 100 0 - 8.4-41.2 Violated in 1 structures by 0.02 A. Peak 9548 from aliabs.peaks (2.94, 6.80, 117.87 ppm; 5.32 A): 3 out of 11 assignments used, quality = 1.00: HB2 CYS 45 + QE TYR 72 OK 100 100 100 100 2.3-4.9 1.8/9547=91, 9144=90...(18) HE2 LYS 36 + QE TYR 72 OK 37 76 75 64 2.0-10.8 11127/2.2=18...(10) HE3 LYS 36 + QE TYR 72 OK 36 76 75 64 2.0-11.8 10705/9021=18...(10) HE2 LYS 26 - QE TYR 72 far 12 78 15 - 5.8-22.3 HE3 LYS 31 - QE TYR 72 far 5 90 5 - 4.3-15.7 HE2 LYS 31 - QE TYR 72 far 4 78 5 - 4.0-15.2 HE3 LYS 26 - QE TYR 72 lone 1 71 30 3 4.4-21.7 9008/10748=2 HE2 LYS 24 - QE TYR 72 far 0 90 0 - 7.5-23.9 HE3 LYS 24 - QE TYR 72 far 0 97 0 - 8.5-23.3 HE3 LYS 39 - QE TYR 72 far 0 99 0 - 9.2-15.3 HE2 LYS 39 - QE TYR 72 far 0 99 0 - 9.4-14.3 Violated in 0 structures by 0.00 A. Peak 9549 from aliabs.peaks (2.31, 6.80, 117.87 ppm; 6.21 A): 2 out of 7 assignments used, quality = 0.99: HG3 GLN 68 + QE TYR 72 OK 99 99 100 100 1.9-6.0 1.8/11830=100...(16) HG2 GLU 44 + QE TYR 72 OK 34 100 35 97 6.8-10.9 10949/9063=84...(5) HB VAL 77 - QE TYR 72 poor 12 60 20 - 6.2-12.1 HG3 GLU 30 - QE TYR 72 far 5 100 5 - 6.9-17.8 HG2 GLU 40 - QE TYR 72 far 4 81 5 - 7.6-13.2 HG2 GLU 128 - QE TYR 72 far 3 57 5 - 7.4-17.6 HB3 GLN 134 - QE TYR 72 far 0 87 0 - 8.2-15.8 Violated in 0 structures by 0.00 A. Peak 9550 from aliabs.peaks (2.21, 6.80, 117.87 ppm; 4.75 A): 3 out of 6 assignments used, quality = 1.00: HG2 GLN 68 + QE TYR 72 OK 97 97 100 100 3.7-5.1 11830=96, 1.8/9549=72...(18) HB2 GLN 68 + QE TYR 72 OK 76 95 80 100 3.8-7.5 3.0/11830=75...(21) HB3 GLN 68 + QE TYR 72 OK 57 71 80 100 2.3-7.0 3.0/11830=75...(20) HB VAL 133 - QE TYR 72 poor 18 90 20 - 5.3-12.4 HB3 GLN 127 - QE TYR 72 far 0 89 0 - 7.1-14.7 HB3 GLU 128 - QE TYR 72 far 0 68 0 - 8.6-16.0 Violated in 1 structures by 0.01 A. Peak 9551 from aliabs.peaks (1.17, 6.80, 117.87 ppm; 4.58 A): 2 out of 6 assignments used, quality = 0.93: QB ALA 41 + QE TYR 72 OK 90 100 90 100 3.9-6.3 9063=99, 9062/2.2=80...(18) HG12 ILE 32 + QE TYR 72 OK 28 89 60 52 3.7-13.6 2.1/10748=22, ~10747=16...(4) QG2 THR 25 - QE TYR 72 far 10 99 10 - 4.8-19.1 QG2 VAL 77 - QE TYR 72 far 5 92 5 - 5.9-11.7 HG3 LYS 39 - QE TYR 72 far 0 97 0 - 7.8-12.4 QG2 THR 18 - QE TYR 72 far 0 99 0 - 9.2-23.1 Violated in 9 structures by 0.27 A. Peak 9552 from aliabs.peaks (0.95, 6.80, 117.87 ppm; 5.54 A): 3 out of 5 assignments used, quality = 0.95: QG2 ILE 37 + QE TYR 72 OK 89 89 100 100 1.8-6.6 3.0/9025=86, 9022/2.2=83...(34) QG2 VAL 126 + QE TYR 72 OK 41 97 60 71 3.7-8.6 9527/2.2=48...(7) QG1 VAL 126 + QE TYR 72 OK 28 100 35 79 4.1-10.0 ~9527=70, 10409/11126=15...(5) QD1 LEU 123 - QE TYR 72 far 0 68 0 - 7.3-13.4 QD2 LEU 53 - QE TYR 72 far 0 92 0 - 8.8-14.4 Violated in 1 structures by 0.03 A. Peak 9553 from aliabs.peaks (0.79, 6.80, 117.87 ppm; 5.84 A): 4 out of 12 assignments used, quality = 0.97: QD2 LEU 49 + QE TYR 72 OK 73 100 95 77 4.2-7.4 11061/11069=23...(14) QD1 ILE 37 + QE TYR 72 OK 68 68 100 100 2.2-6.4 3.0/9021=90...(27) QD1 ILE 32 + QE TYR 72 OK 50 68 80 91 1.8-10.6 10827/9540=30...(21) QD1 LEU 70 + QE TYR 72 OK 23 87 35 76 6.1-8.5 9523/6984=31...(11) QG2 ILE 129 - QE TYR 72 poor 14 57 25 - 2.0-9.6 QD1 LEU 96 - QE TYR 72 poor 11 81 25 57 4.8-8.6 11812/9540=23...(8) QD2 LEU 122 - QE TYR 72 far 10 99 10 - 7.0-10.6 QG2 ILE 80 - QE TYR 72 far 8 81 10 - 5.0-14.0 QD1 LEU 122 - QE TYR 72 far 5 96 5 - 6.5-12.0 HG13 ILE 80 - QE TYR 72 far 4 87 5 - 7.3-16.0 QD1 LEU 53 - QE TYR 72 far 0 100 0 - 7.7-13.5 QG1 VAL 63 - QE TYR 72 far 0 96 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 9569 from aliabs.peaks (0.75, 4.38, 64.33 ppm; 4.99 A): 4 out of 9 assignments used, quality = 1.00: QG1 VAL 93 + HA CYS 73 OK 100 100 100 100 3.7-5.3 9961/3.0=84, 11422=83...(24) QD2 LEU 96 + HA CYS 73 OK 67 100 70 96 4.2-6.9 11693/4.6=49...(18) QD1 LEU 96 + HA CYS 73 OK 67 81 95 87 4.5-7.5 9986/3.0=28, ~11803=24...(17) QD1 ILE 37 + HA CYS 73 OK 42 90 60 77 4.0-10.4 10841/11126=33...(9) HG12 ILE 129 - HA CYS 73 far 15 99 15 - 4.6-7.9 QD2 LEU 103 - HA PRO 113 poor 10 40 25 - 3.9-9.3 QD1 LEU 103 - HA PRO 113 poor 9 26 35 - 2.5-8.8 QD2 LEU 43 - HA CYS 73 poor 9 99 30 30 5.7-9.2 11678/11759=12...(6) QD1 ILE 32 - HA CYS 73 far 5 90 5 - 5.0-13.9 Violated in 0 structures by 0.00 A. Peak 9570 from aliabs.peaks (0.64, 4.38, 64.33 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 42 + HA CYS 73 OK 94 100 95 99 1.8-5.7 9110/9538=42...(24) QD1 ILE 129 + HA CYS 73 OK 67 93 75 95 3.9-7.1 10487/9955=35...(25) Violated in 2 structures by 0.02 A. Peak 9571 from aliabs.peaks (0.28, 4.38, 64.33 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA CYS 73 OK 100 100 100 100 3.1-4.7 9955=77, 9959/3.0=65...(35) QD1 ILE 80 + HA CYS 73 OK 57 87 70 94 4.6-7.5 9749/11145=37...(23) Violated in 0 structures by 0.00 A. Peak 9572 from aliabs.peaks (0.77, 2.74, 27.42 ppm; 6.01 A): 6 out of 9 assignments used, quality = 1.00: QD1 LEU 96 + HB2 CYS 73 OK 98 99 100 99 2.5-5.1 ~11693=60, 2.1/11803=48...(23) QG1 VAL 93 + HB2 CYS 73 OK 90 90 100 100 2.1-5.0 9961=85, 2.1/9959=80...(29) QD2 LEU 96 + HB2 CYS 73 OK 88 89 100 100 2.3-6.1 11693/3.4=68...(20) HG12 ILE 129 + HB2 CYS 73 OK 83 83 100 100 2.7-7.1 ~10462=52, 2.1/10463=50...(19) QD1 ILE 37 + HB2 CYS 73 OK 31 100 55 57 5.5-10.6 10841/5516=16...(8) QD2 LEU 43 + HB2 CYS 73 OK 20 78 55 47 5.8-9.6 9129/9098=27...(6) QD1 ILE 32 - HB2 CYS 73 far 5 100 5 - 5.0-14.2 QD2 LEU 122 - HB2 CYS 73 lone 2 83 25 9 6.2-11.3 7329/9985=4, 11614/11684=2 QD1 LEU 53 - HB2 CYS 73 far 0 65 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 9573 from aliabs.peaks (0.28, 2.74, 27.42 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 93 + HB2 CYS 73 OK 98 98 100 100 1.7-3.6 2.1/9961=93, 9959=78...(36) QD1 ILE 80 + HB2 CYS 73 OK 44 93 55 86 5.3-9.2 9571/3.0=28...(23) Violated in 0 structures by 0.00 A. Peak 9579 from aliabs.peaks (0.77, 3.31, 27.42 ppm; 4.96 A): 4 out of 10 assignments used, quality = 1.00: QD1 LEU 96 + HB3 CYS 73 OK 94 100 100 94 2.2-6.1 9986/1.8=46, ~11693=41...(19) QG1 VAL 93 + HB3 CYS 73 OK 83 83 100 100 1.9-5.1 9961/1.8=72, 2.1/9581=67...(25) QD2 LEU 96 + HB3 CYS 73 OK 78 81 100 97 2.0-6.1 11693/3.4=43...(20) HG12 ILE 129 + HB3 CYS 73 OK 60 73 85 97 3.7-6.9 ~10462=35, ~10463=34...(17) QD1 ILE 37 - HB3 CYS 73 far 15 100 15 - 5.5-10.0 QD2 LEU 43 - HB3 CYS 73 far 7 68 10 - 6.0-9.7 QD1 ILE 32 - HB3 CYS 73 far 5 100 5 - 5.9-12.8 QD2 LEU 122 - HB3 CYS 73 far 5 90 5 - 6.3-10.5 QD2 LEU 49 - HB3 CYS 73 far 3 65 5 - 6.4-8.4 QD1 LEU 53 - HB3 CYS 73 far 0 76 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 9580 from aliabs.peaks (0.63, 3.31, 27.42 ppm; 6.14 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HB3 CYS 73 OK 95 100 95 100 2.4-7.7 9104/3.8=73, 9570/3.0=58...(27) QD1 ILE 129 + HB3 CYS 73 OK 90 90 100 100 2.5-5.7 11709/2233=69...(31) Violated in 0 structures by 0.00 A. Peak 9581 from aliabs.peaks (0.28, 3.31, 27.42 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HB3 CYS 73 OK 100 100 100 100 1.7-4.1 9959/1.8=79, 9955/3.0=77...(34) QD1 ILE 80 - HB3 CYS 73 poor 17 87 25 80 5.7-8.3 9571/3.0=28, 9573/1.8=25...(17) Violated in 0 structures by 0.00 A. Peak 9587 from aliabs.peaks (2.95, 4.29, 61.37 ppm; 4.31 A): 3 out of 28 assignments used, quality = 0.59: HE2 LYS 24 + HA THR 25 OK 30 99 40 77 2.0-8.6 5.1/11128=23...(16) HE3 LYS 26 + HA THR 25 OK 25 97 35 74 2.2-9.3 7.1/582=23, 3.6/11150=22...(13) HE3 LYS 24 + HA THR 25 OK 22 98 30 76 2.3-9.0 5.1/11128=23...(15) HE3 LYS 86 - HA PHE 87 poor 20 44 45 - 3.9-7.4 HE2 LYS 26 - HA THR 25 poor 18 98 25 74 2.9-9.2 7.1/582=23, 3.6/11150=22...(13) HE3 LYS 31 - HA THR 25 far 15 99 15 - 2.8-14.8 HE3 LYS 19 - HA THR 18 poor 13 68 35 54 4.3-9.2 3.8/10686=28, 7.3/226=14...(7) HE2 LYS 19 - HA THR 18 far 10 68 15 - 2.7-8.8 HE2 LYS 31 - HA THR 25 far 10 98 10 - 3.1-14.8 HE2 LYS 24 - HA THR 18 far 7 68 10 - 4.8-17.4 HE2 LYS 36 - HA THR 25 far 5 98 5 - 4.9-23.1 HE3 LYS 36 - HA THR 25 far 5 98 5 - 5.5-23.8 HE3 LYS 31 - HA THR 18 far 3 68 5 - 5.3-25.8 HE3 LYS 36 - HA THR 18 far 3 66 5 - 5.0-33.6 HE3 LYS 24 - HA THR 18 far 3 66 5 - 4.1-17.6 HE2 LYS 31 - HA THR 18 far 0 67 0 - 5.9-25.3 HE2 LYS 36 - HA THR 18 far 0 66 0 - 6.5-32.9 HE2 LYS 19 - HA THR 25 far 0 99 0 - 7.4-19.3 HE3 LYS 19 - HA THR 25 far 0 99 0 - 7.5-20.7 HB2 CYS 45 - HA THR 18 far 0 51 0 - 8.0-31.1 HB2 CYS 45 - HA THR 25 far 0 83 0 - 8.3-23.0 HE2 LYS 31 - HA SER 74 far 0 100 0 - 8.7-24.7 HE3 LYS 86 - HA SER 74 far 0 100 0 - 8.8-11.9 HE2 LYS 36 - HA SER 74 far 0 99 0 - 9.5-20.1 HE3 LYS 26 - HA THR 18 far 0 65 0 - 9.5-21.1 HD2 ARG 135 - HA PHE 87 far 0 22 0 - 9.8-14.1 HE2 LYS 26 - HA THR 18 far 0 67 0 - 9.9-21.5 HE3 LYS 31 - HA SER 74 far 0 100 0 - 10.0-24.6 Violated in 15 structures by 0.63 A. Peak 9588 from aliabs.peaks (2.74, 4.29, 61.37 ppm; 5.23 A): 2 out of 13 assignments used, quality = 0.99: HB2 CYS 73 + HA SER 74 OK 98 100 100 98 3.9-5.6 7009/2.9=58, ~7010=47...(17) HB2 TYR 76 + HA SER 74 OK 32 73 55 79 5.6-8.0 7009/2.9=26...(14) HB3 ASP 78 - HA SER 74 poor 17 90 25 75 5.9-8.5 9693/9592=54...(6) HB3 ASP 35 - HA THR 25 far 14 94 15 - 3.3-23.4 HB3 ASP 35 - HA THR 18 far 6 61 10 - 6.0-36.0 HB2 ASP 64 - HA THR 25 far 5 94 5 - 3.3-23.3 HB2 ASP 47 - HA THR 25 far 4 74 5 - 5.6-28.8 HB3 ASN 13 - HA THR 18 far 3 34 10 - 5.3-17.9 HB3 ASN 13 - HA THR 25 far 3 58 5 - 6.6-28.7 HB2 TYR 76 - HA THR 18 far 0 43 0 - 6.9-34.3 HB2 ASP 47 - HA THR 18 far 0 44 0 - 8.6-37.3 HB2 CYS 125 - HA SER 74 far 0 98 0 - 9.2-11.2 HB3 ASP 35 - HA SER 74 far 0 96 0 - 9.9-19.9 Violated in 2 structures by 0.02 A. Peak 9589 from aliabs.peaks (1.64, 4.29, 61.37 ppm; 4.63 A): 5 out of 44 assignments used, quality = 0.94: HD3 LYS 24 + HA THR 25 OK 52 96 55 97 3.3-8.1 3.5/11128=37, ~6234=29...(26) HD2 LYS 24 + HA THR 25 OK 46 86 55 97 2.7-7.9 3.5/11128=37, ~6234=29...(26) HD2 LYS 26 + HA THR 25 OK 43 90 50 95 3.7-8.6 5.7/582=48, 3.5/11128=30...(22) HD3 LYS 26 + HA THR 25 OK 36 85 45 95 4.5-8.0 5.7/582=48, 3.5/11128=30...(22) QB ALA 88 + HA PHE 87 OK 32 32 100 100 5.0-5.0 7185/3.6=71, ~7170=41...(19) HD2 LYS 31 - HA THR 25 poor 19 95 20 - 4.3-15.2 HD3 LYS 86 - HA PHE 87 poor 16 41 40 - 4.7-7.2 HD2 LYS 86 - HA PHE 87 poor 14 39 35 - 3.9-7.8 HD3 LYS 19 - HA THR 18 poor 13 67 20 - 4.3-7.5 HG LEU 22 - HA THR 18 poor 13 44 30 - 2.0-11.5 HD2 LYS 19 - HA THR 18 poor 13 66 20 - 2.6-7.9 HD3 LYS 24 - HA THR 18 far 10 64 15 - 2.0-15.2 HD3 LYS 31 - HA THR 25 far 9 91 10 - 4.3-14.5 HD3 LYS 36 - HA THR 25 far 9 86 10 - 5.9-22.2 HB2 LEU 98 - HA THR 25 far 5 99 5 - 6.0-30.6 HD3 LYS 19 - HA THR 25 far 5 99 5 - 5.3-20.4 HD2 LYS 19 - HA THR 25 far 5 98 5 - 4.9-18.6 HD2 LYS 36 - HA THR 25 far 4 85 5 - 4.6-21.6 HB3 LEU 22 - HA THR 18 far 4 37 10 - 4.7-10.9 HD2 LYS 31 - HA THR 18 far 3 62 5 - 4.8-23.0 HD3 LYS 31 - HA THR 18 far 3 58 5 - 4.8-24.1 HD2 LYS 24 - HA THR 18 far 3 54 5 - 3.6-15.2 HG3 ARG 23 - HA THR 25 far 0 71 0 - 6.4-10.0 HG3 ARG 23 - HA THR 18 far 0 43 0 - 6.4-12.0 HD2 LYS 36 - HA THR 18 far 0 53 0 - 6.7-32.3 HD3 LYS 36 - HA THR 18 far 0 54 0 - 6.8-33.0 HD3 LYS 31 - HA SER 74 far 0 93 0 - 7.2-24.8 HB3 LEU 22 - HA THR 25 far 0 63 0 - 7.5-10.3 HG2 ARG 84 - HA PHE 87 far 0 42 0 - 7.7-9.7 HG3 ARG 84 - HA PHE 87 far 0 43 0 - 7.9-9.7 HD3 LYS 86 - HA SER 74 far 0 98 0 - 8.1-13.0 HD3 LYS 26 - HA THR 18 far 0 53 0 - 8.2-20.7 HD2 LYS 31 - HA SER 74 far 0 97 0 - 8.3-23.9 HD2 LYS 95 - HA THR 25 far 0 96 0 - 8.4-31.3 HD3 LYS 95 - HA THR 25 far 0 90 0 - 8.5-30.6 HD2 LYS 26 - HA THR 18 far 0 57 0 - 8.9-19.5 HB2 LEU 69 - HA SER 74 far 0 99 0 - 9.0-11.4 HD2 LYS 86 - HA SER 74 far 0 96 0 - 9.1-12.5 HG LEU 22 - HA THR 25 far 0 74 0 - 9.2-11.7 HG LEU 62 - HA THR 18 far 0 68 0 - 9.4-37.3 HD2 LYS 95 - HA PHE 87 far 0 40 0 - 9.6-13.0 HD2 LYS 95 - HA SER 74 far 0 97 0 - 9.6-12.5 HD3 LYS 95 - HA SER 74 far 0 92 0 - 9.6-11.9 QB ALA 88 - HA SER 74 far 0 85 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9590 from aliabs.peaks (0.75, 4.29, 61.37 ppm; 4.41 A): 3 out of 16 assignments used, quality = 1.00: QG1 VAL 93 + HA SER 74 OK 99 100 100 99 1.8-3.7 ~9576=36, 11421/3.0=35...(20) QD2 LEU 96 + HA SER 74 OK 80 100 100 80 4.5-5.7 2.1/11710=25, ~11130=18...(16) QD1 LEU 96 + HA SER 74 OK 55 81 95 72 4.2-6.9 9575/2.9=19...(14) QD1 ILE 32 - HA THR 25 poor 18 88 20 - 3.1-11.2 QD1 ILE 32 - HA SER 74 far 5 90 5 - 3.7-15.5 QD1 ILE 37 - HA THR 18 far 3 56 5 - 5.6-28.3 HG12 ILE 129 - HA SER 74 far 0 99 0 - 6.3-9.2 QG1 VAL 93 - HA PHE 87 far 0 44 0 - 6.7-9.4 QD1 ILE 32 - HA THR 18 far 0 56 0 - 7.4-21.0 QD1 ILE 37 - HA SER 74 far 0 90 0 - 7.5-13.0 QD1 ILE 37 - HA THR 25 far 0 88 0 - 8.3-19.2 HG12 ILE 129 - HA PHE 87 far 0 43 0 - 8.5-10.6 QG1 VAL 93 - HA THR 25 far 0 99 0 - 8.6-22.2 QD2 LEU 43 - HA THR 25 far 0 97 0 - 9.3-24.5 QD2 LEU 43 - HA SER 74 far 0 99 0 - 9.6-12.8 QD2 LEU 96 - HA PHE 87 far 0 44 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 9591 from aliabs.peaks (0.30, 4.29, 61.37 ppm; 6.61 A): 2 out of 2 assignments used, quality = 0.97: QG2 VAL 93 + HA SER 74 OK 96 96 100 100 2.0-3.5 9576/2.9=90...(28) QG2 VAL 93 + HA PHE 87 OK 35 39 100 90 7.1-7.9 11411/2804=46...(12) Violated in 0 structures by 0.00 A. Peak 9592 from aliabs.peaks (1.06, 4.29, 61.37 ppm; 4.00 A): 1 out of 5 assignments used, quality = 0.95: QG1 VAL 77 + HA SER 74 OK 95 99 100 96 3.1-4.5 11188=52, 2.1/11195=42...(18) QG1 VAL 77 - HA PHE 87 far 0 42 0 - 5.6-7.9 QG2 VAL 133 - HA THR 18 far 0 49 0 - 7.5-33.2 QG2 VAL 133 - HA SER 74 far 0 83 0 - 8.9-11.1 QG2 VAL 133 - HA THR 25 far 0 80 0 - 9.3-25.4 Violated in 5 structures by 0.05 A. Peak 9604 from aliabs.peaks (0.78, 4.32, 45.42 ppm; 4.80 A): 2 out of 5 assignments used, quality = 0.80: QD1 ILE 37 + HA2 GLY 75 OK 67 99 70 97 4.8-12.4 9026/2.9=59...(14) QG1 VAL 93 + HA2 GLY 75 OK 39 68 60 95 5.8-7.0 9608/1.8=82, 9595/2.9=29...(10) QD1 ILE 32 - HA2 GLY 75 far 5 99 5 - 2.4-15.2 QD1 LEU 96 - HA2 GLY 75 far 0 100 0 - 7.3-10.0 QD2 LEU 96 - HA2 GLY 75 far 0 65 0 - 8.0-9.3 Violated in 18 structures by 0.51 A. Peak 9607 from aliabs.peaks (0.92, 3.89, 45.42 ppm; 6.80 A): 3 out of 11 assignments used, quality = 0.95: QG2 VAL 112 + HA2 GLY 114 OK 73 73 100 100 6.3-8.2 ~11518=86, ~11492=78...(8) QD1 LEU 119 + HA2 GLY 114 OK 59 59 100 100 1.8-8.0 10160/2.9=99...(15) QG2 ILE 37 + HA3 GLY 75 OK 57 95 60 100 4.8-11.1 10667/3.5=98...(13) QD1 LEU 123 - HA2 GLY 114 poor 14 72 20 - 7.5-15.4 QD1 LEU 62 - HA2 GLY 114 poor 13 70 80 23 4.9-10.6 10165/1.8=6...(7) QG2 VAL 63 - HA2 GLY 114 lone 3 67 45 10 5.5-12.5 11564/11516=2...(4) QG1 VAL 118 - HA2 GLY 114 lone 2 39 55 9 6.8-10.9 11535/3629=4, 398/2253=2 QG1 VAL 57 - HA2 GLY 114 lone 1 52 60 5 6.2-12.2 QG2 VAL 20 - HA3 GLY 75 far 0 63 0 - 8.8-29.4 QG1 VAL 20 - HA3 GLY 75 far 0 95 0 - 9.3-29.6 QD1 LEU 49 - HA2 GLY 114 far 0 69 0 - 9.6-16.2 Violated in 0 structures by 0.00 A. Peak 9608 from aliabs.peaks (0.76, 3.89, 45.42 ppm; 5.12 A): 3 out of 11 assignments used, quality = 0.91: QG1 VAL 93 + HA3 GLY 75 OK 84 97 100 87 5.6-6.5 11331/2.9=34...(10) QD2 LEU 119 + HA2 GLY 114 OK 30 39 80 98 2.4-9.7 ~10160=61, ~10165=54...(9) QD1 ILE 37 + HA3 GLY 75 OK 24 99 25 98 6.0-13.6 9026/2.9=67, 9604/1.8=49...(9) QD1 LEU 103 - HA2 GLY 114 poor 19 54 35 - 5.1-10.5 QD2 LEU 103 - HA2 GLY 114 poor 14 39 35 - 5.2-11.1 QD1 ILE 32 - HA3 GLY 75 far 5 99 5 - 3.0-16.4 QD2 LEU 122 - HA2 GLY 114 far 0 44 0 - 7.1-14.8 QD1 LEU 96 - HA3 GLY 75 far 0 96 0 - 7.4-10.2 QD2 LEU 96 - HA3 GLY 75 far 0 96 0 - 8.0-9.1 QG1 VAL 63 - HA2 GLY 114 far 0 52 0 - 8.0-14.8 HG12 ILE 129 - HA3 GLY 75 far 0 92 0 - 9.8-12.9 Violated in 5 structures by 0.08 A. Peak 9615 from aliabs.peaks (0.63, 4.31, 59.75 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HA TYR 76 OK 100 100 100 100 4.0-6.2 9609/3.0=71, 10880=68...(25) QD1 ILE 129 - HA TYR 76 far 0 89 0 - 8.4-10.8 Violated in 9 structures by 0.40 A. Peak 9616 from aliabs.peaks (1.18, 4.31, 59.75 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 77 + HA TYR 76 OK 100 100 100 100 5.9-6.1 7044/3.6=100, ~9611=82...(25) QB ALA 41 + HA TYR 76 OK 54 100 55 99 7.0-11.2 10819/11155=96...(7) HG3 LYS 39 - HA TYR 76 far 8 83 10 - 7.6-11.1 QG2 THR 18 - HA TYR 76 far 5 90 5 - 5.4-31.7 HG12 ILE 32 - HA TYR 76 far 0 65 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. Peak 9617 from aliabs.peaks (0.64, 2.76, 40.83 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 42 + HB2 TYR 76 OK 99 99 100 100 2.1-4.6 9635/1.8=80, 9615/3.0=61...(22) QD1 ILE 129 - HB2 TYR 76 far 10 97 10 - 5.9-9.7 QD1 ILE 129 - HB2 ASP 131 far 0 95 0 - 6.2-8.0 QD1 LEU 42 - HB2 ASP 131 far 0 97 0 - 7.8-11.1 Violated in 0 structures by 0.00 A. Peak 9619 from aliabs.peaks (2.31, 2.76, 40.83 ppm; 5.00 A): 2 out of 5 assignments used, quality = 0.78: HB VAL 77 + HB2 TYR 76 OK 57 60 95 99 4.2-6.6 7042/4.5=43, ~11171=43...(20) HG2 GLU 128 + HB2 ASP 131 OK 49 55 90 100 4.1-6.7 1.8/10450=79...(14) HB3 GLN 134 - HB2 ASP 131 far 0 84 0 - 6.5-8.1 HG2 GLU 40 - HB2 TYR 76 far 0 81 0 - 9.6-12.8 HG3 GLN 68 - HB2 TYR 76 far 0 99 0 - 9.9-14.1 Violated in 2 structures by 0.07 A. Peak 9620 from aliabs.peaks (3.79, 2.76, 40.83 ppm; 6.35 A): 8 out of 12 assignments used, quality = 1.00: HA SER 130 + HB2 ASP 131 OK 84 84 100 100 5.5-6.4 3.6/7903=99, ~11646=74...(17) HB3 SER 130 + HB2 ASP 131 OK 82 82 100 100 4.1-6.0 4.6/7903=93...(15) HB2 SER 130 + HB2 ASP 131 OK 57 58 100 99 4.2-7.2 4.6/7903=93, ~10520=29...(9) HA VAL 133 + HB2 TYR 76 OK 37 76 50 97 6.5-9.8 10559/4.5=53, ~10561=27...(18) HA SER 130 + HB2 TYR 76 OK 30 87 60 57 6.2-10.3 9101/9617=19...(8) HA VAL 133 + HB2 ASP 131 OK 29 73 40 100 7.6-8.6 3.0/11644=88...(13) HA LEU 43 + HB2 ASP 131 OK 26 91 60 47 6.7-9.4 1339/3.8=28...(6) HA ARG 90 + HB2 TYR 76 OK 25 99 40 63 6.8-11.3 11185/9654=23...(7) HB2 SER 130 - HB2 TYR 76 far 3 60 5 - 7.6-12.0 HA LEU 43 - HB2 TYR 76 far 0 93 0 - 8.3-10.4 HB3 SER 130 - HB2 TYR 76 far 0 85 0 - 8.8-13.0 HB3 SER 9 - HB2 TYR 76 far 0 98 0 - 9.7-46.2 Violated in 0 structures by 0.00 A. Peak 9622 from aliabs.peaks (4.30, 6.48, 116.85 ppm; 5.20 A): 2 out of 9 assignments used, quality = 1.00: HA TYR 76 + QE TYR 76 OK 100 100 100 100 4.4-5.2 4.7=100 HA PRO 81 + QE TYR 76 OK 50 71 95 74 4.9-7.3 9736/9746=24...(10) HA THR 18 - QE TYR 76 far 4 81 5 - 5.1-34.3 HA SER 74 - QE TYR 76 far 0 93 0 - 7.5-9.5 HA LYS 36 - QE TYR 76 far 0 87 0 - 7.7-13.6 HA2 GLY 75 - QE TYR 76 far 0 76 0 - 7.9-8.4 HA ASP 131 - QE TYR 76 far 0 99 0 - 8.2-10.1 HA ALA 21 - QE TYR 76 far 0 99 0 - 8.5-30.9 HA ALA 12 - QE TYR 76 far 0 89 0 - 9.6-39.0 Violated in 0 structures by 0.00 A. Peak 9624 from aliabs.peaks (3.76, 6.48, 116.85 ppm; 5.51 A): 2 out of 5 assignments used, quality = 1.00: HA VAL 133 + QE TYR 76 OK 99 99 100 100 2.1-4.8 10559=99, 3.2/10555=91...(22) HA SER 130 + QE TYR 76 OK 94 97 100 97 4.3-6.9 11861/10555=72...(16) HA LEU 43 - QE TYR 76 far 9 92 10 - 6.3-9.0 HB3 SER 130 - QE TYR 76 far 5 97 5 - 6.8-9.7 HA THR 83 - QE TYR 76 far 0 81 0 - 8.1-9.8 Violated in 0 structures by 0.00 A. Peak 9625 from aliabs.peaks (3.40, 6.48, 116.85 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QE TYR 76 OK 100 100 100 100 1.9-6.1 9036=99, 10578/10558=73...(21) Violated in 1 structures by 0.03 A. Peak 9626 from aliabs.peaks (3.14, 6.48, 116.85 ppm; 6.27 A): 1 out of 4 assignments used, quality = 1.00: HB3 TYR 76 + QE TYR 76 OK 100 100 100 100 4.4-4.5 4.5=100 HB3 CYS 45 - QE TYR 76 far 0 81 0 - 8.9-12.8 HD2 ARG 90 - QE TYR 76 far 0 63 0 - 8.9-12.4 HD3 ARG 90 - QE TYR 76 far 0 71 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 9627 from aliabs.peaks (2.74, 6.48, 116.85 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.99: HB2 CYS 73 + QE TYR 76 OK 84 100 85 99 5.9-9.2 ~11126=68, 9094/9634=44...(18) HB2 TYR 76 + QE TYR 76 OK 83 83 100 100 4.4-4.5 4.5=100 HB3 ASP 78 + QE TYR 76 OK 47 83 60 95 7.6-8.6 9693/11170=51...(10) HB3 ASP 35 - QE TYR 76 far 5 90 5 - 8.2-16.1 HB2 ASP 131 - QE TYR 76 far 0 73 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 9628 from aliabs.peaks (2.08, 6.48, 116.85 ppm; 6.29 A): 3 out of 6 assignments used, quality = 1.00: HB3 LYS 39 + QE TYR 76 OK 100 100 100 100 1.8-5.5 9037=93, 3.0/9036=92...(14) HB2 PRO 81 + QE TYR 76 OK 63 90 100 70 4.5-7.4 2.3/9622=32, 9037=26...(8) HG3 GLN 134 + QE TYR 76 OK 53 100 55 98 6.1-9.4 10599/10555=76...(10) HB3 GLN 82 - QE TYR 76 far 10 99 10 - 7.3-10.9 HB VAL 126 - QE TYR 76 far 0 65 0 - 9.1-13.0 HB3 GLN 27 - QE TYR 76 far 0 87 0 - 9.7-25.1 Violated in 0 structures by 0.00 A. Peak 9629 from aliabs.peaks (1.75, 6.48, 116.85 ppm; 5.66 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 39 + QE TYR 76 OK 96 96 100 100 1.9-6.4 11767/10555=83...(14) HB ILE 80 + QE TYR 76 OK 92 92 100 100 2.9-5.2 3.2/9746=95, 9738=86...(27) HG13 ILE 129 - QE TYR 76 far 15 99 15 - 6.9-9.8 HG3 ARG 90 - QE TYR 76 far 0 95 0 - 7.5-11.5 HB2 ARG 23 - QE TYR 76 far 0 100 0 - 9.4-28.8 HB2 LYS 19 - QE TYR 76 far 0 99 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 9630 from aliabs.peaks (1.18, 6.48, 116.85 ppm; 4.85 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 77 + QE TYR 76 OK 100 100 100 100 4.6-6.0 2.1/11170=51...(27) HG3 LYS 39 + QE TYR 76 OK 82 83 100 99 2.8-6.0 4.0/9036=56...(18) QB ALA 41 + QE TYR 76 OK 51 100 55 93 4.9-9.4 9042/9034=53...(14) QG2 THR 18 - QE TYR 76 far 5 90 5 - 4.9-30.5 QG2 THR 25 - QE TYR 76 far 0 100 0 - 9.6-24.3 Violated in 0 structures by 0.00 A. Peak 9631 from aliabs.peaks (1.04, 6.48, 116.85 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QE TYR 76 OK 100 100 100 100 1.9-4.9 10555=97, 2.1/10558=84...(31) QG1 VAL 77 - QE TYR 76 far 5 96 5 - 6.0-6.8 Violated in 1 structures by 0.02 A. Peak 9632 from aliabs.peaks (0.83, 6.48, 116.85 ppm; 4.30 A): 4 out of 7 assignments used, quality = 1.00: QG1 VAL 133 + QE TYR 76 OK 100 100 100 100 1.9-4.1 10558=91, 2.1/10555=84...(30) QG2 ILE 129 + QE TYR 76 OK 91 97 100 94 3.9-5.8 10486/9109=30...(28) QG2 ILE 80 + QE TYR 76 OK 83 83 100 100 1.8-4.7 3.1/9746=73, 2.1/9738=43...(34) HG13 ILE 80 + QE TYR 76 OK 72 76 95 100 1.9-5.8 2.1/9746=88, 3.0/9738=39...(27) QG2 ILE 32 - QE TYR 76 far 0 100 0 - 8.4-14.6 QD2 LEU 70 - QE TYR 76 far 0 78 0 - 9.2-12.2 QD1 LEU 70 - QE TYR 76 far 0 76 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 9633 from aliabs.peaks (0.25, 6.48, 116.85 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.96: QD1 ILE 80 + QE TYR 76 OK 96 96 100 100 1.9-5.4 9746=92, 10588/10555=64...(48) Violated in 1 structures by 0.02 A. Peak 9634 from aliabs.peaks (0.63, 6.48, 116.85 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 42 + QE TYR 76 OK 99 99 100 100 2.3-5.5 11676/10555=76...(29) QD1 ILE 129 - QE TYR 76 far 4 76 5 - 6.5-8.7 Violated in 3 structures by 0.03 A. Peak 9635 from aliabs.peaks (0.64, 3.13, 40.83 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 42 + HB3 TYR 76 OK 99 99 100 100 2.0-4.1 9092=80, 9617/1.8=78...(25) QD1 ILE 129 - HB3 TYR 76 far 5 97 5 - 6.1-9.0 Violated in 0 structures by 0.00 A. Peak 9644 from aliabs.peaks (1.43, 3.45, 65.83 ppm; 4.78 A): 2 out of 6 assignments used, quality = 0.99: HG2 LYS 86 + HA VAL 77 OK 92 92 100 100 3.3-5.5 11742/2401=81...(36) QB ALA 92 + HA ILE 129 OK 86 86 100 100 2.8-3.8 9946/3.2=82...(27) QB ALA 34 - HA VAL 77 poor 19 93 20 - 5.8-14.7 QB ALA 92 - HA VAL 77 far 0 100 0 - 7.4-8.5 HG2 LYS 86 - HA ILE 129 far 0 74 0 - 9.0-11.4 QB ALA 34 - HA ILE 129 far 0 76 0 - 9.4-17.4 Violated in 0 structures by 0.00 A. Peak 9645 from aliabs.peaks (1.74, 3.45, 65.83 ppm; 4.77 A): 3 out of 10 assignments used, quality = 1.00: HB ILE 80 + HA VAL 77 OK 99 99 100 100 2.1-5.2 3.2/9725=84...(41) HG13 ILE 129 + HA ILE 129 OK 86 86 100 100 2.3-3.5 3.7=100 HG3 ARG 90 + HA VAL 77 OK 40 100 40 100 4.2-7.6 11303/2401=75...(31) HG13 ILE 129 - HA VAL 77 far 5 100 5 - 6.2-9.5 HG3 ARG 90 - HA ILE 129 far 0 85 0 - 7.5-9.7 HB ILE 80 - HA ILE 129 far 0 84 0 - 7.6-10.3 HB2 LYS 39 - HA VAL 77 far 0 83 0 - 8.1-12.4 HD3 LYS 39 - HA VAL 77 far 0 60 0 - 8.7-12.6 HD3 LYS 39 - HA ILE 129 far 0 46 0 - 9.9-15.5 HB3 LEU 70 - HA ILE 129 far 0 48 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 9646 from aliabs.peaks (0.80, 2.34, 31.42 ppm; 4.89 A): 3 out of 9 assignments used, quality = 0.97: QG2 ILE 80 + HB VAL 77 OK 76 96 80 100 3.8-7.2 ~9725=44, ~9719=40...(49) QG2 ILE 129 + HB VAL 77 OK 73 81 100 90 4.2-5.7 10457/9671=41, 11239=37...(13) HG13 ILE 80 + HB VAL 77 OK 49 98 50 100 5.7-7.6 ~9725=59, ~9719=51...(47) QD2 LEU 119 - HB2 PRO 117 far 5 34 15 - 4.2-8.5 QD1 LEU 103 - HB2 PRO 117 far 3 26 10 - 5.9-12.4 QD1 LEU 70 - HB VAL 77 far 0 98 0 - 6.8-10.5 QD2 LEU 122 - HB2 PRO 117 far 0 31 0 - 7.2-11.2 QD1 LEU 122 - HB2 PRO 117 far 0 40 0 - 7.7-10.7 QD1 LEU 53 - HB2 PRO 117 far 0 37 0 - 8.7-13.8 Violated in 2 structures by 0.02 A. Peak 9647 from aliabs.peaks (0.28, 2.34, 31.42 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB VAL 77 OK 97 97 100 100 2.9-4.9 9725/3.0=76, 9719/2.1=61...(49) QG2 VAL 93 + HB VAL 77 OK 95 96 100 99 2.6-3.9 9969/2.1=69...(18) Violated in 0 structures by 0.00 A. Peak 9648 from aliabs.peaks (0.28, 1.05, 19.58 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QG1 VAL 77 OK 98 99 100 100 3.4-4.7 9969/2.1=60...(34) QD1 ILE 80 + QG1 VAL 77 OK 92 92 100 100 2.9-4.4 9719=62, 9725/3.2=58...(64) Violated in 0 structures by 0.00 A. Peak 9649 from aliabs.peaks (0.27, 1.19, 22.02 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + QG2 VAL 77 OK 100 100 100 100 1.7-3.3 9725/2401=49...(61) QG2 VAL 93 + QG2 VAL 77 OK 71 76 100 94 2.1-4.2 9969=29, 11424/9676=23...(28) Violated in 0 structures by 0.00 A. Peak 9650 from aliabs.peaks (1.47, 1.05, 19.58 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.79: HG3 LYS 86 + QG1 VAL 77 OK 79 99 80 100 3.5-7.4 1.8/9650=75...(31) HG LEU 42 - QG1 VAL 77 far 0 85 0 - 8.4-11.1 Violated in 13 structures by 0.85 A. Peak 9651 from aliabs.peaks (1.75, 1.05, 19.58 ppm; 3.68 A): 2 out of 5 assignments used, quality = 0.93: HG3 ARG 90 + QG1 VAL 77 OK 80 95 85 100 3.2-6.0 1.8/9652=65...(27) HB ILE 80 + QG1 VAL 77 OK 64 92 70 100 4.2-7.0 3.2/9719=40...(42) HG13 ILE 129 - QG1 VAL 77 far 0 99 0 - 6.3-9.2 HB2 LYS 39 - QG1 VAL 77 far 0 96 0 - 9.4-12.3 HB2 LYS 31 - QG1 VAL 77 far 0 99 0 - 10.0-24.0 Violated in 14 structures by 0.33 A. Peak 9652 from aliabs.peaks (2.01, 1.05, 19.58 ppm; 3.98 A): 1 out of 9 assignments used, quality = 0.99: HG2 ARG 90 + QG1 VAL 77 OK 99 99 100 100 4.2-5.4 9662/2.1=82...(25) HB3 GLU 30 - QG1 VAL 77 far 5 100 5 - 4.0-24.8 HB2 GLU 91 - QG1 VAL 77 far 0 83 0 - 7.1-9.0 HB3 GLU 91 - QG1 VAL 77 far 0 87 0 - 7.6-9.6 HB ILE 129 - QG1 VAL 77 far 0 96 0 - 8.0-9.2 HB3 MET 11 - QG1 VAL 77 far 0 100 0 - 8.6-38.1 HG2 PRO 81 - QG1 VAL 77 far 0 99 0 - 8.8-10.5 QE MET 11 - QG1 VAL 77 far 0 95 0 - 9.2-32.8 HB2 PRO 81 - QG1 VAL 77 far 0 44 0 - 10.0-10.8 Violated in 20 structures by 0.88 A. Peak 9653 from aliabs.peaks (2.52, 1.05, 19.58 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.68: HB2 ASP 78 + QG1 VAL 77 OK 68 68 100 100 2.8-4.5 3.0/11189=81...(16) HG3 MET 11 - QG1 VAL 77 far 0 97 0 - 9.3-38.4 Violated in 0 structures by 0.00 A. Peak 9654 from aliabs.peaks (2.75, 1.05, 19.58 ppm; 4.38 A): 3 out of 5 assignments used, quality = 0.91: HB3 ASP 78 + QG1 VAL 77 OK 71 71 100 100 2.8-4.2 1.8/9653=74...(21) HB2 TYR 76 + QG1 VAL 77 OK 50 92 55 100 4.9-6.5 4.5/7043=58, 3.8/9611=50...(24) HB2 CYS 73 + QG1 VAL 77 OK 39 97 45 90 5.4-7.1 9588/9592=26...(20) HB3 ASP 35 - QG1 VAL 77 far 0 81 0 - 8.3-18.9 HB2 CYS 125 - QG1 VAL 77 far 0 87 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 9655 from aliabs.peaks (2.95, 1.05, 19.58 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.85: HE3 LYS 86 + QG1 VAL 77 OK 85 100 85 100 4.1-6.2 1.8/11201=79...(22) HE3 LYS 39 - QG1 VAL 77 far 0 78 0 - 9.1-14.2 HE2 LYS 31 - QG1 VAL 77 far 0 99 0 - 9.6-23.0 HE2 LYS 36 - QG1 VAL 77 far 0 98 0 - 9.6-19.8 HE2 LYS 39 - QG1 VAL 77 far 0 78 0 - 9.9-14.4 Violated in 19 structures by 0.95 A. Peak 9656 from aliabs.peaks (3.17, 1.05, 19.58 ppm; 3.63 A): 2 out of 5 assignments used, quality = 0.94: HD3 ARG 90 + QG1 VAL 77 OK 77 97 80 100 2.2-5.7 2.9/11842=51...(33) HD2 ARG 90 + QG1 VAL 77 OK 74 99 75 100 2.9-6.5 2.9/11842=51...(33) HB2 HIS 10 - QG1 VAL 77 far 0 100 0 - 7.9-39.3 HB2 HIS 8 - QG1 VAL 77 far 0 76 0 - 9.0-43.2 HB3 CYS 125 - QG1 VAL 77 far 0 65 0 - 9.9-12.4 Violated in 8 structures by 0.20 A. Peak 9657 from aliabs.peaks (3.17, 2.34, 31.42 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.92: HD2 ARG 90 + HB VAL 77 OK 75 100 75 100 4.3-8.1 2.9/11174=78, ~9662=72...(39) HD3 ARG 90 + HB VAL 77 OK 69 99 70 100 4.0-7.4 2.9/11174=78, ~9662=72...(38) Violated in 12 structures by 0.21 A. Peak 9659 from aliabs.peaks (3.17, 1.19, 22.02 ppm; 3.46 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 90 + QG2 VAL 77 OK 97 97 100 100 2.1-4.8 3.0/9662=54, 11384=51...(36) HD2 ARG 90 + QG2 VAL 77 OK 89 99 90 100 1.8-5.1 3.0/9662=54, 2.9/9676=49...(38) HD2 ARG 84 - QG2 VAL 77 far 0 92 0 - 7.7-12.1 HD3 ARG 84 - QG2 VAL 77 far 0 92 0 - 7.9-11.5 HB3 CYS 125 - QG2 VAL 77 far 0 65 0 - 8.2-11.7 Violated in 6 structures by 0.12 A. Peak 9660 from aliabs.peaks (2.94, 1.19, 22.02 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.99: HE3 LYS 86 + QG2 VAL 77 OK 99 99 100 100 3.4-5.3 1.8/11196=80...(22) HD2 ARG 135 - QG2 VAL 77 far 0 81 0 - 7.7-12.3 HE3 LYS 39 - QG2 VAL 77 far 0 87 0 - 8.4-13.0 HE2 LYS 39 - QG2 VAL 77 far 0 87 0 - 9.1-13.4 Violated in 17 structures by 0.43 A. Peak 9662 from aliabs.peaks (2.01, 1.19, 22.02 ppm; 3.46 A): 1 out of 9 assignments used, quality = 0.96: HG2 ARG 90 + QG2 VAL 77 OK 96 96 100 100 2.7-4.4 9652/2.1=54...(27) HB2 GLU 91 - QG2 VAL 77 far 0 90 0 - 6.0-7.0 HB ILE 129 - QG2 VAL 77 far 0 99 0 - 6.4-7.7 HB3 GLU 30 - QG2 VAL 77 far 0 100 0 - 6.5-24.4 HG2 PRO 81 - QG2 VAL 77 far 0 100 0 - 6.7-8.9 HB3 GLU 91 - QG2 VAL 77 far 0 78 0 - 6.9-8.0 HG3 ARG 135 - QG2 VAL 77 far 0 78 0 - 8.0-10.7 HB2 PRO 81 - QG2 VAL 77 far 0 41 0 - 8.3-9.5 HB3 MET 11 - QG2 VAL 77 far 0 100 0 - 9.7-37.8 Violated in 10 structures by 0.34 A. Peak 9663 from aliabs.peaks (1.77, 1.19, 22.02 ppm; 3.21 A): 1 out of 3 assignments used, quality = 0.40: HB2 LYS 86 + QG2 VAL 77 OK 40 73 55 100 3.9-6.0 3.0/11182=47...(31) HG13 ILE 129 - QG2 VAL 77 far 3 68 5 - 4.6-6.8 HB2 LYS 39 - QG2 VAL 77 far 0 99 0 - 8.8-12.4 Violated in 20 structures by 1.47 A. Peak 9666 from aliabs.peaks (7.40, 3.45, 65.83 ppm; 5.20 A): 2 out of 2 assignments used, quality = 1.00: QE PHE 89 + HA VAL 77 OK 98 98 100 100 2.8-4.3 2.2/9667=86, 9671/3.0=85...(30) QE PHE 89 + HA ILE 129 OK 82 82 100 100 4.4-5.3 10457/3.2=69...(25) Violated in 0 structures by 0.00 A. Peak 9667 from aliabs.peaks (7.07, 3.45, 65.83 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 89 + HA VAL 77 OK 100 100 100 100 3.1-4.0 9677/2401=95...(31) QD PHE 89 + HA ILE 129 OK 86 86 100 100 3.2-4.5 11943/4213=60...(25) Violated in 0 structures by 0.00 A. Peak 9668 from aliabs.peaks (6.98, 3.45, 65.83 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.78: H ILE 80 + HA VAL 77 OK 78 78 100 100 2.9-3.6 5.0/9725=92, 9680/3.6=86...(16) H ILE 80 - HA ILE 129 far 0 61 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 9669 from aliabs.peaks (6.47, 3.45, 65.83 ppm; 5.87 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HA VAL 77 OK 99 99 100 100 3.9-5.3 9746/9725=95...(30) QE TYR 76 + HA ILE 129 OK 45 84 55 97 6.8-8.2 9631/10479=46...(21) Violated in 0 structures by 0.00 A. Peak 9671 from aliabs.peaks (7.41, 2.34, 31.42 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + HB VAL 77 OK 100 100 100 100 1.9-3.5 9676/2.1=74, 2.2/9672=70...(22) Violated in 0 structures by 0.00 A. Peak 9672 from aliabs.peaks (7.05, 2.34, 31.42 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.92: QD PHE 89 + HB VAL 77 OK 92 92 100 100 2.2-3.8 9677/2.1=86, 2.2/9671=74...(29) Violated in 0 structures by 0.00 A. Peak 9673 from aliabs.peaks (7.42, 1.05, 19.58 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.93: QE PHE 89 + QG1 VAL 77 OK 93 93 100 100 3.6-4.9 9676/2.1=81, 2.2/9674=71...(24) Violated in 7 structures by 0.13 A. Peak 9674 from aliabs.peaks (7.05, 1.05, 19.58 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.92: QD PHE 89 + QG1 VAL 77 OK 92 92 100 100 3.4-4.5 9677/2.1=85, 2.2/9673=70...(32) Violated in 8 structures by 0.11 A. Peak 9676 from aliabs.peaks (7.42, 1.19, 22.02 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 89 + QG2 VAL 77 OK 97 97 100 100 2.2-3.7 2.2/9677=75, 9673/2.1=58...(26) Violated in 2 structures by 0.00 A. Peak 9677 from aliabs.peaks (7.06, 1.19, 22.02 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 89 + QG2 VAL 77 OK 99 99 100 100 1.8-2.2 2.2/9676=56, 9672/2.1=48...(32) Violated in 0 structures by 0.00 A. Peak 9682 from aliabs.peaks (3.74, 3.45, 65.83 ppm; 6.23 A): 3 out of 3 assignments used, quality = 0.84: HA VAL 133 + HA VAL 77 OK 51 60 95 90 5.9-7.8 ~11199=52, 10590/9725=38...(12) HA VAL 133 + HA ILE 129 OK 46 46 100 100 6.0-6.7 3.2/10479=79...(23) HA THR 83 + HA VAL 77 OK 39 100 50 78 7.1-9.0 11342/11858=55...(5) Violated in 0 structures by 0.00 A. Peak 9684 from aliabs.peaks (4.08, 3.45, 65.83 ppm; 6.26 A): 4 out of 7 assignments used, quality = 1.00: HA PHE 89 + HA VAL 77 OK 100 100 100 100 5.7-6.9 3.1/9667=93, 4.7/9666=75...(25) HA PHE 89 + HA ILE 129 OK 86 86 100 100 2.6-4.1 2897/10478=81...(23) HA CYS 79 + HA VAL 77 OK 81 81 100 100 5.9-6.4 2.9/9702=91, 3.6/9668=87...(13) HA ALA 92 + HA ILE 129 OK 43 43 100 100 5.8-7.1 2.1/10478=86, ~9946=81...(20) HB2 SER 74 - HA VAL 77 far 9 60 15 - 7.5-9.4 HB3 SER 74 - HA VAL 77 far 4 71 5 - 7.7-9.3 HB2 SER 74 - HA ILE 129 far 0 46 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 9692 from aliabs.peaks (1.06, 2.50, 39.87 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HB2 ASP 78 OK 100 100 100 100 2.8-4.5 9653=98, 7052/7055=93...(16) QG2 VAL 133 - HB2 ASP 78 far 0 93 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 9693 from aliabs.peaks (1.06, 2.72, 39.87 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.98: QG1 VAL 77 + HB3 ASP 78 OK 98 98 100 100 2.8-4.2 7052/7056=90...(24) QG2 VAL 133 - HB2 ASP 47 far 3 70 5 - 5.9-10.8 QG1 VAL 77 - HB3 ASP 35 far 0 53 0 - 8.3-18.9 QG2 VAL 133 - HB3 ASP 78 far 0 78 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 9695 from aliabs.peaks (1.05, 4.38, 55.71 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HA ASP 78 OK 100 100 100 100 2.9-3.2 11189=93, 7052/2.9=76...(22) QG2 VAL 133 - HA ASP 78 far 0 99 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 9705 from aliabs.peaks (6.48, 2.60, 26.84 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.85: QD TYR 76 + HB3 CYS 79 OK 64 73 95 91 2.9-6.1 ~9706=45, 3.1/11911=28...(14) QE TYR 76 + HB3 CYS 79 OK 58 100 60 96 2.5-6.2 9706/1.8=63, 9704/4.4=39...(12) Violated in 8 structures by 0.31 A. Peak 9706 from aliabs.peaks (6.47, 1.83, 26.84 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.96: QE TYR 76 + HB2 CYS 79 OK 96 99 100 97 3.2-5.4 9704/4.4=49...(14) Violated in 3 structures by 0.08 A. Peak 9713 from aliabs.peaks (1.42, 1.74, 38.30 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.97: HG2 LYS 86 + HB ILE 80 OK 97 97 100 100 1.9-5.0 9720/3.2=86...(39) QB ALA 34 - HB ILE 80 far 0 97 0 - 6.9-17.1 QB ALA 92 - HB ILE 80 far 0 100 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 9714 from aliabs.peaks (2.25, 0.82, 16.85 ppm; 4.31 A): 2 out of 16 assignments used, quality = 0.65: HB2 PRO 81 + QG2 ILE 80 OK 43 45 95 100 4.0-6.1 11265/3.2=55...(42) HB3 LEU 96 + QG2 ILE 129 OK 39 100 40 97 4.8-7.3 11354/4163=40...(35) HB2 GLN 68 - QG2 ILE 32 poor 16 30 55 - 1.9-8.6 HB3 GLU 128 - QG2 ILE 129 far 5 93 5 - 5.5-6.7 HG2 GLU 30 - QG2 ILE 32 far 0 32 0 - 7.0-8.5 HB3 GLN 127 - QG2 ILE 129 far 0 76 0 - 7.1-7.8 HB3 GLN 104 - QG2 ILE 32 far 0 37 0 - 7.2-18.3 HG2 GLU 97 - QG2 ILE 129 far 0 100 0 - 7.6-9.8 HB2 PRO 81 - QG2 ILE 129 far 0 58 0 - 7.7-10.5 HG2 GLU 97 - QG2 ILE 32 far 0 55 0 - 8.1-17.5 HG2 GLU 30 - QG2 ILE 129 far 0 71 0 - 8.5-20.7 HB3 LEU 96 - QG2 ILE 80 far 0 87 0 - 9.1-14.4 HB3 GLU 97 - QG2 ILE 32 far 0 31 0 - 9.1-17.3 HB3 GLU 97 - QG2 ILE 129 far 0 68 0 - 9.4-10.7 HB2 GLN 68 - QG2 ILE 129 far 0 65 0 - 9.9-12.5 HB3 GLU 128 - QG2 ILE 80 far 0 77 0 - 10.0-12.8 Violated in 12 structures by 0.29 A. Peak 9715 from aliabs.peaks (2.45, 0.82, 16.85 ppm; 4.58 A): 2 out of 7 assignments used, quality = 0.67: HG3 GLN 82 + QG2 ILE 80 OK 46 68 70 95 3.6-9.2 2.9/11310=61, 11262=44...(10) HG2 GLN 82 + QG2 ILE 80 OK 40 60 70 95 3.4-9.7 2.9/11310=61...(11) HG3 GLN 104 - QG2 ILE 32 far 2 40 5 - 6.0-17.9 HG3 GLN 127 - QG2 ILE 129 far 0 68 0 - 7.1-9.1 HG2 GLN 82 - QG2 ILE 129 far 0 76 0 - 8.2-13.7 HG3 GLN 82 - QG2 ILE 129 far 0 85 0 - 8.4-13.5 HG2 MET 11 - QG2 ILE 80 far 0 83 0 - 8.7-38.7 Violated in 10 structures by 1.02 A. Peak 9719 from aliabs.peaks (1.06, 0.27, 13.24 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + QD1 ILE 80 OK 100 100 100 100 2.9-4.4 3.2/9725=52, 2.1/9649=41...(62) QG2 VAL 133 + QD1 ILE 80 OK 40 89 45 99 3.3-7.5 10588=61, 2.1/10586=38...(38) Violated in 15 structures by 0.26 A. Peak 9720 from aliabs.peaks (1.42, 0.27, 13.24 ppm; 3.98 A): 1 out of 4 assignments used, quality = 0.97: HG2 LYS 86 + QD1 ILE 80 OK 97 97 100 100 1.6-3.6 1.8/11225=68...(49) QB ALA 92 - QD1 ILE 80 far 0 100 0 - 5.7-8.5 QB ALA 34 - QD1 ILE 80 far 0 97 0 - 6.3-13.1 HG LEU 96 - QD1 ILE 80 far 0 65 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 9721 from aliabs.peaks (1.95, 0.27, 13.24 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: HB3 LYS 86 + QD1 ILE 80 OK 100 100 100 100 2.1-4.8 3.0/9727=72, 3.0/9720=65...(49) HB3 ARG 90 + QD1 ILE 80 OK 34 100 35 96 4.1-7.4 3.8/11183=40...(22) HB3 PRO 81 - QD1 ILE 80 far 0 100 0 - 5.9-6.8 HB ILE 37 - QD1 ILE 80 far 0 92 0 - 8.8-12.9 Violated in 4 structures by 0.06 A. Peak 9722 from aliabs.peaks (2.31, 0.27, 13.24 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.47: HB VAL 132 + QD1 ILE 80 OK 47 60 80 99 2.3-8.6 11669/10588=49...(22) HB3 GLN 134 - QD1 ILE 80 far 0 85 0 - 8.0-11.6 HG2 GLU 40 - QD1 ILE 80 far 0 83 0 - 9.4-14.6 Violated in 11 structures by 0.83 A. Peak 9723 from aliabs.peaks (2.71, 0.27, 13.24 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.68: HB2 ASN 85 + QD1 ILE 80 OK 68 85 80 100 2.9-7.0 1.8/11222=77...(20) HB3 ASP 78 - QD1 ILE 80 poor 19 92 25 84 4.8-7.5 4.3/9699=37...(13) HB2 CYS 73 - QD1 ILE 80 poor 17 57 30 - 5.3-9.2 HB2 CYS 125 - QD1 ILE 80 far 0 78 0 - 9.7-14.4 Violated in 10 structures by 0.76 A. Peak 9724 from aliabs.peaks (3.32, 0.27, 13.24 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.99: HB2 PHE 89 + QD1 ILE 80 OK 94 100 95 99 1.9-5.6 2.7/9747=52, 4.5/9749=29...(32) HB3 PHE 89 + QD1 ILE 80 OK 87 89 100 98 1.9-4.8 2.7/9747=52, 4.5/9749=29...(27) HB3 CYS 73 - QD1 ILE 80 far 0 96 0 - 5.7-8.3 HB3 TYR 72 - QD1 ILE 80 far 0 85 0 - 7.4-10.6 Violated in 1 structures by 0.06 A. Peak 9725 from aliabs.peaks (3.44, 0.27, 13.24 ppm; 3.27 A): 1 out of 4 assignments used, quality = 0.97: HA VAL 77 + QD1 ILE 80 OK 97 98 100 99 1.7-2.9 9643=39, 3.2/9719=33...(44) HA ILE 129 - QD1 ILE 80 far 0 95 0 - 4.9-9.1 HA LEU 42 - QD1 ILE 80 far 0 63 0 - 7.9-11.6 HA VAL 126 - QD1 ILE 80 far 0 99 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 9726 from aliabs.peaks (3.78, 0.27, 13.24 ppm; 3.84 A): 2 out of 6 assignments used, quality = 0.92: HA VAL 133 + QD1 ILE 80 OK 74 93 80 99 2.7-6.8 3.2/10588=55, 10590=44...(33) HA ARG 90 + QD1 ILE 80 OK 68 89 80 96 4.1-6.8 2.9/11183=38...(21) HA SER 130 - QD1 ILE 80 far 0 98 0 - 5.6-9.5 HA LEU 43 - QD1 ILE 80 far 0 100 0 - 7.9-13.3 HB3 SER 130 - QD1 ILE 80 far 0 97 0 - 8.0-12.0 HB3 SER 9 - QD1 ILE 80 far 0 87 0 - 8.3-43.8 Violated in 10 structures by 0.28 A. Peak 9727 from aliabs.peaks (3.89, 0.27, 13.24 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: HA LYS 86 + QD1 ILE 80 OK 100 100 100 100 1.6-3.7 9820=72, 3.7/9720=40...(50) HA3 GLY 75 - QD1 ILE 80 far 0 99 0 - 6.7-8.4 HB2 SER 94 - QD1 ILE 80 far 0 96 0 - 8.4-10.9 HA LEU 70 - QD1 ILE 80 far 0 99 0 - 9.0-11.8 Violated in 1 structures by 0.01 A. Peak 9728 from aliabs.peaks (3.44, 1.21, 27.07 ppm; 5.27 A): 1 out of 3 assignments used, quality = 0.97: HA VAL 77 + HG12 ILE 80 OK 97 97 100 100 1.9-4.0 9725/2.1=100...(42) HA ILE 129 - HG12 ILE 80 far 0 93 0 - 6.8-10.3 HA LEU 42 - HG12 ILE 80 far 0 60 0 - 9.0-14.5 Violated in 0 structures by 0.00 A. Peak 9729 from aliabs.peaks (3.89, 1.74, 38.30 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 86 + HB ILE 80 OK 100 100 100 100 2.7-4.2 9727/3.2=83...(35) HA3 GLY 75 - HB ILE 80 far 0 99 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 9730 from aliabs.peaks (3.45, 1.74, 38.30 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 77 + HB ILE 80 OK 100 100 100 100 2.1-5.2 9725/3.2=91...(41) HA ILE 129 - HB ILE 80 far 0 100 0 - 7.6-10.3 Violated in 0 structures by 0.00 A. Peak 9735 from aliabs.peaks (4.35, 0.81, 17.00 ppm; 4.26 A): 2 out of 12 assignments used, quality = 0.89: HA PRO 81 + QG2 ILE 80 OK 80 81 100 99 3.7-5.7 2.3/11240=39, ~11265=32...(30) HA CYS 73 + QG2 ILE 129 OK 44 47 100 94 2.7-4.4 9955/11405=22...(30) HA CYS 73 - QG2 ILE 80 poor 15 60 25 - 4.4-9.1 HA LEU 69 - QG2 ILE 129 far 0 88 0 - 5.9-8.1 HA CYS 125 - QG2 ILE 129 far 0 84 0 - 6.2-7.2 HA GLN 134 - QG2 ILE 80 far 0 100 0 - 6.7-10.1 HA GLN 134 - QG2 ILE 129 far 0 86 0 - 7.1-8.4 HA2 GLY 75 - QG2 ILE 80 far 0 76 0 - 7.1-10.6 HA ASP 47 - QG2 ILE 129 far 0 81 0 - 7.6-10.7 HA2 GLY 75 - QG2 ILE 129 far 0 60 0 - 7.6-9.1 HA PRO 81 - QG2 ILE 129 far 0 64 0 - 8.5-10.7 HA LEU 69 - QG2 ILE 80 far 0 100 0 - 9.1-13.9 Violated in 0 structures by 0.00 A. Peak 9736 from aliabs.peaks (4.32, 0.27, 13.24 ppm; 4.56 A): 2 out of 5 assignments used, quality = 0.59: HA TYR 76 + QD1 ILE 80 OK 37 93 40 99 4.5-6.8 4.7/9746=56, 3.1/9746=39...(27) HA PRO 81 + QD1 ILE 80 OK 35 99 35 100 4.9-6.3 4.9/2472=52...(24) HA2 GLY 75 - QD1 ILE 80 far 0 100 0 - 7.0-9.1 HA ASP 131 - QD1 ILE 80 far 0 95 0 - 7.7-11.9 HA LEU 69 - QD1 ILE 80 far 0 65 0 - 9.7-13.0 Violated in 16 structures by 0.68 A. Peak 9737 from aliabs.peaks (6.47, 4.12, 58.62 ppm; 5.50 A): 4 out of 4 assignments used, quality = 1.00: QE TYR 76 + HA ILE 80 OK 100 100 100 100 2.0-3.1 9746/2472=90...(20) QD TYR 76 + HA ILE 80 OK 59 60 100 99 3.0-4.6 ~9704=55, ~9738=48...(21) QE TYR 76 + HA CYS 79 OK 59 59 100 100 4.7-6.7 9706/3.0=81, 9704/3.6=72...(16) QD TYR 76 + HA CYS 79 OK 29 29 100 100 5.0-6.6 ~9706=56, 9705/3.0=46...(24) Violated in 0 structures by 0.00 A. Peak 9738 from aliabs.peaks (6.47, 1.74, 38.30 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + HB ILE 80 OK 99 99 100 100 2.9-5.2 9746/3.2=96...(26) Violated in 0 structures by 0.00 A. Peak 9739 from aliabs.peaks (6.47, 0.81, 17.00 ppm; 4.03 A): 4 out of 4 assignments used, quality = 1.00: QE TYR 76 + QG2 ILE 80 OK 99 100 100 99 1.8-4.7 9746/3.1=67, 9704/4.0=37...(34) QE TYR 76 + QG2 ILE 129 OK 70 87 90 90 3.9-5.8 10555/10482=22...(27) QD TYR 76 + QG2 ILE 80 OK 60 60 100 99 1.9-5.5 ~9746=36, ~9633=30...(39) QD TYR 76 + QG2 ILE 129 OK 35 47 100 75 3.4-4.7 9109/10486=20...(21) Violated in 0 structures by 0.00 A. Peak 9740 from aliabs.peaks (7.05, 0.81, 17.00 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.98: QD PHE 89 + QG2 ILE 80 OK 92 92 100 100 1.9-5.3 9747/3.1=79, ~9749=45...(33) QD PHE 89 + QG2 ILE 129 OK 76 76 100 100 2.3-3.0 2.2/10457=66...(38) Violated in 0 structures by 0.00 A. Peak 9741 from aliabs.peaks (7.29, 0.81, 17.00 ppm; 4.52 A): 3 out of 8 assignments used, quality = 0.95: HZ PHE 89 + QG2 ILE 129 OK 76 77 100 99 2.4-3.0 2.2/10457=63, ~10456=39...(26) H ASN 85 + QG2 ILE 80 OK 74 99 75 99 3.6-7.1 3.6/11237=74...(17) HZ PHE 89 + QG2 ILE 80 OK 26 93 30 93 3.2-7.8 ~9749=41, ~9749=39...(17) QD PHE 87 - QG2 ILE 80 far 0 68 0 - 6.1-8.8 QE PHE 87 - QG2 ILE 80 far 0 89 0 - 6.7-10.4 H ASN 85 - QG2 ILE 129 far 0 84 0 - 7.4-9.4 QD PHE 87 - QG2 ILE 129 far 0 53 0 - 8.4-9.8 QE PHE 87 - QG2 ILE 129 far 0 72 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 9742 from aliabs.peaks (7.55, 0.81, 17.00 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9744 from aliabs.peaks (6.48, 1.21, 27.07 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HG12 ILE 80 OK 100 100 100 100 2.3-5.3 9746/2.1=92...(19) QD TYR 76 + HG12 ILE 80 OK 81 81 100 100 1.9-5.7 ~9746=65, ~9633=52...(27) Violated in 2 structures by 0.01 A. Peak 9745 from aliabs.peaks (6.48, 0.81, 27.07 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: QE TYR 76 + HG13 ILE 80 OK 100 100 100 100 1.9-5.8 9746/2.1=96, 9738/3.0=51...(28) QD TYR 76 + HG13 ILE 80 OK 64 71 90 100 2.6-6.7 ~9746=68, ~9633=55...(34) QD TYR 76 - QD2 LEU 49 far 0 36 0 - 8.6-10.6 QE TYR 76 - QD2 LEU 49 far 0 61 0 - 9.4-11.3 Violated in 5 structures by 0.10 A. Peak 9746 from aliabs.peaks (6.49, 0.27, 13.24 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.94: QE TYR 76 + QD1 ILE 80 OK 81 99 85 97 1.9-5.4 10555/10588=28, 9633=28...(35) QD TYR 76 + QD1 ILE 80 OK 67 89 80 94 2.0-5.3 2.2/9633=27, 3.1/9736=14...(36) Violated in 9 structures by 0.33 A. Peak 9747 from aliabs.peaks (7.06, 0.27, 13.24 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.97: QD PHE 89 + QD1 ILE 80 OK 97 97 100 100 1.8-5.0 2.2/9749=58...(35) Violated in 1 structures by 0.06 A. Peak 9748 from aliabs.peaks (7.33, 0.27, 13.24 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.86: HZ PHE 89 + QD1 ILE 80 OK 74 78 95 100 3.3-6.2 2.2/9749=82, 3.8/9747=66...(24) HE ARG 90 + QD1 ILE 80 OK 47 97 50 98 1.9-7.1 11842/9719=46...(14) QD PHE 87 - QD1 ILE 80 far 10 97 10 - 6.0-7.9 Violated in 3 structures by 0.07 A. Peak 9749 from aliabs.peaks (7.42, 0.27, 13.24 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.93: QE PHE 89 + QD1 ILE 80 OK 93 93 100 100 2.7-5.3 2.2/9747=80...(36) Violated in 3 structures by 0.09 A. Peak 9753 from aliabs.peaks (8.28, 0.82, 16.85 ppm; 5.05 A): 5 out of 18 assignments used, quality = 1.00: H ASP 131 + QG2 ILE 129 OK 98 98 100 100 4.3-4.8 7891/4143=72...(25) H VAL 126 + QG2 ILE 129 OK 80 100 80 100 6.0-6.9 10400/4163=57, ~4007=55...(36) H GLU 30 + QG2 ILE 32 OK 41 47 95 91 4.9-6.8 3.6/10781=27...(16) H LEU 43 + QG2 ILE 129 OK 33 99 35 95 6.1-7.5 6504/10486=77...(12) H LEU 96 + QG2 ILE 129 OK 24 99 25 98 6.2-7.8 9982/4163=78...(17) H LEU 69 - QG2 ILE 32 poor 18 44 60 70 4.3-8.7 ~10827=42, 11056/3.0=24...(10) H ARG 23 - QG2 ILE 32 far 6 40 15 - 6.0-18.0 H LEU 43 - QG2 ILE 32 far 0 54 0 - 6.6-12.3 H LEU 49 - QG2 ILE 32 far 0 41 0 - 6.7-13.5 H GLU 40 - QG2 ILE 32 far 0 54 0 - 7.5-13.4 H ASP 131 - QG2 ILE 80 far 0 83 0 - 7.5-10.9 H LEU 43 - QG2 ILE 80 far 0 86 0 - 7.7-12.3 H LEU 69 - QG2 ILE 129 far 0 89 0 - 7.9-9.7 H GLU 40 - QG2 ILE 80 far 0 86 0 - 8.3-12.6 H GLU 40 - QG2 ILE 129 far 0 99 0 - 8.5-10.6 H LEU 49 - QG2 ILE 129 far 0 85 0 - 8.7-11.5 H LEU 123 - QG2 ILE 129 far 0 93 0 - 9.6-10.7 H LEU 96 - QG2 ILE 80 far 0 86 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 9754 from aliabs.peaks (1.50, 3.74, 66.49 ppm; 5.91 A): 1 out of 1 assignment used, quality = 0.65: HG3 LYS 86 + HA THR 83 OK 65 65 100 100 2.2-4.8 1.8/11341=97...(23) Violated in 0 structures by 0.00 A. Peak 9755 from aliabs.peaks (1.65, 3.74, 66.49 ppm; 4.71 A): 3 out of 5 assignments used, quality = 1.00: HD3 LYS 86 + HA THR 83 OK 100 100 100 100 1.8-5.4 3.5/2624=65...(20) HD2 LYS 86 + HA THR 83 OK 100 100 100 100 2.0-5.2 3.5/2624=65...(21) HG2 ARG 84 + HA THR 83 OK 26 89 30 98 4.8-7.8 ~9758=35, ~11273=33...(24) HG3 ARG 84 - HA THR 83 far 5 93 5 - 4.8-7.9 QB ALA 88 - HA THR 83 far 0 98 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 9756 from aliabs.peaks (1.63, 4.15, 68.45 ppm; 4.58 A): 4 out of 4 assignments used, quality = 0.86: HD3 LYS 86 + HB THR 83 OK 54 83 65 99 4.0-8.2 9759/2.1=40, ~9759=34...(19) HG2 ARG 84 + HB THR 83 OK 45 100 45 99 4.4-7.2 3.0/9758=61, 4.6/7088=59...(15) HG3 ARG 84 + HB THR 83 OK 30 99 30 99 4.5-7.1 3.0/9758=61, 4.6/7088=59...(16) HD2 LYS 86 + HB THR 83 OK 23 76 30 99 4.2-8.0 9759/2.1=37, ~9759=34...(19) Violated in 9 structures by 0.17 A. Peak 9757 from aliabs.peaks (1.80, 4.15, 68.45 ppm; 4.94 A): 2 out of 3 assignments used, quality = 1.00: HB2 LYS 86 + HB THR 83 OK 100 100 100 100 4.4-4.9 11312/2.1=95...(22) HB2 ARG 84 + HB THR 83 OK 97 97 100 100 4.4-5.7 1.8/9758=84, 11272=79...(20) HB3 ARG 135 - HB THR 83 far 0 83 0 - 8.3-13.8 Violated in 0 structures by 0.00 A. Peak 9758 from aliabs.peaks (1.93, 4.15, 68.45 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.89: HB3 LYS 86 + HB THR 83 OK 71 71 100 100 4.9-6.2 ~11312=74, ~2624=57...(18) HB3 ARG 84 + HB THR 83 OK 63 63 100 100 4.1-5.1 3.9/7088=79...(19) HB3 PRO 81 - HB THR 83 far 0 83 0 - 8.1-10.1 HB3 ARG 90 - HB THR 83 far 0 85 0 - 9.1-12.5 Violated in 0 structures by 0.00 A. Peak 9759 from aliabs.peaks (1.66, 1.23, 22.04 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 86 + QG2 THR 83 OK 97 100 100 97 2.1-5.2 3.5/11312=48...(22) HD3 LYS 86 + QG2 THR 83 OK 92 100 95 97 2.0-5.3 3.5/11312=48...(21) HG2 ARG 84 - QG2 THR 83 far 0 83 0 - 5.2-7.2 HG3 ARG 84 - QG2 THR 83 far 0 89 0 - 5.3-7.0 QB ALA 88 - QG2 THR 83 far 0 99 0 - 6.3-7.2 Violated in 2 structures by 0.01 A. Peak 9760 from aliabs.peaks (1.93, 1.23, 22.04 ppm; 4.04 A): 2 out of 6 assignments used, quality = 0.88: HB3 LYS 86 + QG2 THR 83 OK 71 71 100 100 2.6-4.6 1.8/11312=82...(21) HB3 ARG 84 + QG2 THR 83 OK 59 63 95 99 5.1-5.6 9758/2.1=53, 3.9/2520=53...(15) HB3 ARG 90 - QG2 THR 83 far 0 85 0 - 5.8-9.2 HB2 ARG 90 - QG2 THR 83 far 0 85 0 - 6.5-8.7 HB3 PRO 81 - QG2 THR 83 far 0 83 0 - 7.8-9.0 HB2 MET 11 - QG2 THR 83 far 0 93 0 - 9.9-44.9 Violated in 1 structures by 0.01 A. Peak 9761 from aliabs.peaks (3.21, 1.23, 22.04 ppm; 3.89 A): 2 out of 6 assignments used, quality = 0.81: HB3 PHE 87 + QG2 THR 83 OK 70 76 95 98 3.5-5.5 2.5/9776=78...(15) HB2 PHE 87 + QG2 THR 83 OK 35 90 40 97 3.5-6.1 2.5/9776=78...(13) HD2 ARG 84 - QG2 THR 83 poor 15 76 20 - 4.7-7.4 HD3 ARG 84 - QG2 THR 83 far 8 76 10 - 4.7-7.8 HD3 ARG 135 - QG2 THR 83 far 0 76 0 - 8.5-12.2 HB2 HIS 5 - QG2 THR 83 far 0 81 0 - 9.1-57.3 Violated in 14 structures by 0.21 A. Peak 9763 from aliabs.peaks (3.20, 4.15, 68.45 ppm; 6.25 A): 3 out of 3 assignments used, quality = 1.00: HD2 ARG 84 + HB THR 83 OK 97 97 100 100 3.3-7.5 4.0/9758=83...(10) HD3 ARG 84 + HB THR 83 OK 92 97 95 100 3.3-7.7 4.0/9758=83...(10) HB2 PHE 87 + HB THR 83 OK 53 63 85 100 5.6-8.2 ~9776=92, ~9776=92...(17) Violated in 0 structures by 0.00 A. Peak 9764 from aliabs.peaks (2.75, 4.15, 68.45 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9765 from aliabs.peaks (4.58, 4.15, 68.45 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.97: HA GLN 82 + HB THR 83 OK 97 97 100 100 4.8-5.1 3.6/9772=94, 9769/2.1=94...(12) Violated in 0 structures by 0.00 A. Peak 9767 from aliabs.peaks (2.94, 3.74, 66.49 ppm; 6.51 A): 1 out of 3 assignments used, quality = 0.95: HE3 LYS 86 + HA THR 83 OK 95 95 100 100 2.6-5.4 3.7/11342=89...(13) HD2 ARG 135 - HA THR 83 far 0 90 0 - 8.6-13.0 HE3 LYS 39 - HA THR 83 far 0 95 0 - 9.6-16.9 Violated in 0 structures by 0.00 A. Peak 9768 from aliabs.peaks (3.03, 3.74, 66.49 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.65: HE2 LYS 86 + HA THR 83 OK 65 65 100 100 2.0-6.4 3.7/11342=92...(13) HB2 HIS 3 - HA THR 83 far 5 100 5 - 7.4-73.4 Violated in 0 structures by 0.00 A. Peak 9769 from aliabs.peaks (4.57, 1.23, 22.04 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.88: HA GLN 82 + QG2 THR 83 OK 88 89 100 99 5.4-5.6 9765/2.1=79, 3.6/9775=75...(11) Violated in 20 structures by 0.59 A. Peak 9775 from aliabs.peaks (8.87, 1.23, 22.04 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9776 from aliabs.peaks (7.31, 1.23, 22.04 ppm; 3.19 A): 1 out of 3 assignments used, quality = 0.46: QD PHE 87 + QG2 THR 83 OK 46 99 55 85 2.0-5.8 9837=46, 2.5/9761=29...(13) HE ARG 90 - QG2 THR 83 far 0 63 0 - 4.9-9.2 H ASN 85 - QG2 THR 83 far 0 65 0 - 5.0-5.6 Violated in 17 structures by 1.20 A. Peak 9782 from aliabs.peaks (1.24, 4.25, 58.88 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 83 + HA ARG 84 OK 100 100 100 100 3.4-4.1 2520/2.8=79...(22) HG12 ILE 80 - HA ARG 84 far 0 73 0 - 7.1-10.7 Violated in 0 structures by 0.00 A. Peak 9784 from aliabs.peaks (0.89, 4.25, 58.88 ppm; 4.10 A): 0 out of 0 assignments used, quality = 0.00: Peak 9788 from aliabs.peaks (1.66, 2.69, 37.45 ppm; 4.84 A): 3 out of 6 assignments used, quality = 1.00: QB ALA 88 + HB2 ASN 85 OK 99 99 100 100 4.3-4.9 9853=99, 2750/3.0=90...(11) HG3 ARG 84 + HB2 ASN 85 OK 69 89 85 92 3.7-6.8 ~11320=25, 2595/3.0=21...(27) HG2 ARG 84 + HB2 ASN 85 OK 65 83 85 92 3.8-7.7 ~11320=25, 2595/3.0=19...(26) HD3 LYS 86 - HB2 ASN 85 far 0 100 0 - 6.7-10.0 HD2 LYS 86 - HB2 ASN 85 far 0 100 0 - 7.5-9.3 HD2 LYS 39 - HB2 ASN 85 far 0 78 0 - 9.2-14.9 Violated in 0 structures by 0.00 A. Peak 9789 from aliabs.peaks (2.07, 2.69, 37.45 ppm; 4.82 A): 2 out of 7 assignments used, quality = 0.85: HG3 PRO 81 + HB2 ASN 85 OK 62 85 85 86 3.8-6.6 ~10238=27...(15) HB3 GLN 82 + HB2 ASN 85 OK 60 81 75 100 4.6-7.4 9805/3.5=64, ~11464=57...(17) HB2 PRO 81 - HB2 ASN 85 poor 17 83 20 - 5.6-8.3 HG3 GLN 134 - HB2 ASN 85 far 10 99 10 - 6.0-10.1 HB2 GLU 128 - HB2 ASN 85 far 0 96 0 - 8.0-11.8 HB3 LYS 39 - HB2 ASN 85 far 0 97 0 - 8.3-14.4 HG3 GLU 91 - HB2 ASN 85 far 0 76 0 - 9.0-11.2 Violated in 7 structures by 0.15 A. Peak 9790 from aliabs.peaks (1.13, 2.69, 37.45 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + HB2 ASN 85 OK 100 100 100 100 1.8-5.3 10545/3.6=60, 10535=59...(26) QG2 VAL 132 + HB2 ASN 85 OK 99 99 100 100 2.4-5.1 2.1/10535=44...(27) HG2 LYS 39 - HB2 ASN 85 far 0 100 0 - 8.2-12.9 HG3 LYS 39 - HB2 ASN 85 far 0 63 0 - 9.5-13.7 Violated in 0 structures by 0.00 A. Peak 9791 from aliabs.peaks (0.81, 2.69, 37.45 ppm; 4.06 A): 3 out of 4 assignments used, quality = 0.94: QG2 ILE 80 + HB2 ASN 85 OK 80 100 80 100 3.6-6.5 11237=99, 11236/1.8=91...(23) HG13 ILE 80 + HB2 ASN 85 OK 60 100 60 100 3.5-8.2 3.2/11237=69, ~11222=44...(21) QG1 VAL 133 + HB2 ASN 85 OK 23 68 55 62 3.4-6.4 ~11929=15...(12) QG2 ILE 129 - HB2 ASN 85 far 5 97 5 - 5.4-7.2 Violated in 8 structures by 0.28 A. Peak 9793 from aliabs.peaks (0.81, 2.82, 37.45 ppm; 4.06 A): 2 out of 17 assignments used, quality = 0.98: QG2 ILE 80 + HB3 ASN 85 OK 94 99 95 100 2.5-5.7 11236=95, 11237/1.8=89...(23) HG13 ILE 80 + HB3 ASN 85 OK 70 100 70 100 2.8-7.2 3.2/11236=66...(21) QD1 LEU 53 - HB2 ASN 120 poor 19 63 30 - 4.4-9.1 QD1 LEU 53 - HB3 ASN 120 poor 17 56 30 - 3.4-9.5 QD1 LEU 122 - HB2 ASN 120 far 11 73 15 - 5.3-9.0 QG2 ILE 129 - HB3 ASN 85 far 9 89 10 - 4.6-8.0 QD2 LEU 119 - HB3 ASN 120 far 5 50 10 - 2.7-7.4 QD1 LEU 122 - HB3 ASN 120 far 3 65 5 - 5.4-8.9 QD2 LEU 119 - HB2 ASN 120 far 3 57 5 - 4.0-7.0 QD2 LEU 122 - HB3 ASN 120 far 2 45 5 - 5.3-8.6 QD2 LEU 122 - HB2 ASN 120 far 0 52 0 - 5.7-8.7 QD1 LEU 103 - HB2 ASN 120 far 0 42 0 - 7.8-11.3 QD2 LEU 49 - HB3 ASN 120 far 0 60 0 - 8.4-12.3 QD2 LEU 49 - HB2 ASN 120 far 0 68 0 - 8.9-12.4 QD1 LEU 103 - HB3 ASN 120 far 0 37 0 - 9.0-11.7 QD1 LEU 70 - HB2 ASN 120 far 0 72 0 - 9.7-14.7 QD1 LEU 70 - HB3 ASN 120 far 0 64 0 - 9.7-14.5 Violated in 7 structures by 0.17 A. Peak 9794 from aliabs.peaks (1.14, 2.82, 37.45 ppm; 4.58 A): 2 out of 8 assignments used, quality = 1.00: QG2 VAL 132 + HB3 ASN 85 OK 95 100 95 100 1.9-6.3 2.1/11743=51...(26) QG1 VAL 132 + HB3 ASN 85 OK 94 99 95 100 2.2-6.5 10545/3.6=62, 11660=60...(27) QG2 THR 115 - HB3 ASN 120 far 0 63 0 - 6.9-11.7 HG2 LYS 39 - HB3 ASN 85 far 0 100 0 - 8.2-13.3 QG2 THR 115 - HB2 ASN 120 far 0 70 0 - 8.3-12.4 HB3 LEU 62 - HB3 ASN 120 far 0 62 0 - 9.0-14.0 HB3 LEU 62 - HB2 ASN 120 far 0 70 0 - 9.3-14.2 HG3 LYS 39 - HB3 ASN 85 far 0 68 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 9818 from aliabs.peaks (1.18, 3.89, 60.61 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.97: QG2 VAL 77 + HA LYS 86 OK 97 97 100 100 2.1-4.2 11193=94, 9663/3.0=70...(29) Violated in 2 structures by 0.01 A. Peak 9819 from aliabs.peaks (0.81, 3.89, 60.61 ppm; 3.93 A): 2 out of 3 assignments used, quality = 1.00: HG13 ILE 80 + HA LYS 86 OK 100 100 100 100 2.7-4.5 2.1/9727=79, 3.0/9729=44...(48) QG2 ILE 80 + HA LYS 86 OK 99 99 100 100 2.3-3.8 3.1/9727=63, 11230=55...(45) QG2 ILE 129 - HA LYS 86 far 5 90 5 - 5.1-6.5 Violated in 0 structures by 0.00 A. Peak 9820 from aliabs.peaks (0.27, 3.89, 60.61 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HA LYS 86 OK 100 100 100 100 1.6-3.7 9727=100, 9720/3.7=50...(50) QG2 VAL 93 - HA LYS 86 far 0 76 0 - 5.8-7.5 Violated in 0 structures by 0.00 A. Peak 9821 from aliabs.peaks (0.81, 1.79, 32.49 ppm; 4.09 A): 2 out of 7 assignments used, quality = 0.97: QG2 ILE 80 + HB2 LYS 86 OK 88 97 90 100 1.9-6.0 3.1/9822=46...(53) HG13 ILE 80 + HB2 LYS 86 OK 79 99 80 100 3.3-6.1 2.1/9822=54, ~9727=39...(54) QG2 ILE 129 - HB2 LYS 86 far 0 85 0 - 7.6-8.7 QD2 LEU 49 - HB3 LYS 19 far 0 78 0 - 8.9-26.6 QG1 VAL 63 - HB3 LYS 31 far 0 39 0 - 8.9-17.3 QD1 LEU 70 - HB3 LYS 31 far 0 58 0 - 9.2-18.0 QD2 LEU 49 - HB3 LYS 31 far 0 57 0 - 9.7-16.2 Violated in 3 structures by 0.02 A. Peak 9822 from aliabs.peaks (0.27, 1.79, 32.49 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB2 LYS 86 OK 100 100 100 100 3.0-5.4 9727/3.0=87, 9720/3.0=81...(45) QG2 VAL 93 - HB2 LYS 86 far 0 76 0 - 8.1-9.0 Violated in 1 structures by 0.03 A. Peak 9823 from aliabs.peaks (1.19, 1.96, 32.49 ppm; 4.23 A): 2 out of 9 assignments used, quality = 1.00: QG2 VAL 77 + HB3 LYS 86 OK 100 100 100 100 3.3-4.9 9663/1.8=96...(39) HG12 ILE 80 + HB3 LYS 86 OK 42 76 55 100 1.8-6.7 2.1/9721=55, ~9822=43...(45) QG2 THR 18 - HB2 PRO 58 far 2 42 5 - 5.5-32.6 HG3 LYS 39 - HB3 PRO 81 far 0 61 0 - 6.3-13.5 HG12 ILE 80 - HB3 PRO 81 far 0 71 0 - 6.7-7.9 QG2 THR 25 - HB2 PRO 58 far 0 59 0 - 7.3-24.0 QG2 VAL 77 - HB3 PRO 81 far 0 98 0 - 8.3-9.6 QG2 THR 18 - HB3 PRO 81 far 0 71 0 - 9.1-39.5 QG2 VAL 77 - HB3 LYS 95 far 0 36 0 - 10.0-11.2 Violated in 1 structures by 0.02 A. Peak 9824 from aliabs.peaks (1.17, 1.79, 32.49 ppm; 3.80 A): 2 out of 10 assignments used, quality = 0.91: QG2 VAL 77 + HB2 LYS 86 OK 69 87 80 100 3.9-6.0 9818/3.0=52...(33) QG2 THR 18 + HB3 LYS 19 OK 69 81 90 95 4.0-5.6 6147/3.9=34...(26) QG2 THR 25 - HB3 LYS 31 poor 11 57 20 - 1.8-11.7 QG2 THR 25 - HB3 LYS 19 far 8 77 10 - 2.9-15.5 HG12 ILE 32 - HB3 LYS 31 far 8 51 15 - 4.0-7.5 QG2 THR 18 - HB3 LYS 31 far 6 60 10 - 4.2-22.8 QG2 VAL 132 - HB2 LYS 86 far 0 63 0 - 6.3-8.9 QB ALA 41 - HB3 LYS 31 far 0 57 0 - 7.3-16.1 HG12 ILE 32 - HB3 LYS 19 far 0 71 0 - 8.1-25.3 QB ALA 41 - HB3 LYS 19 far 0 78 0 - 8.8-28.3 Violated in 15 structures by 0.24 A. Peak 9825 from aliabs.peaks (0.27, 1.96, 32.49 ppm; 4.89 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 80 + HB3 LYS 86 OK 99 99 100 100 2.1-4.8 9727/3.0=86, 9720/3.0=81...(50) QD1 ILE 80 + HB3 PRO 81 OK 53 96 55 100 5.9-6.8 11226/2.3=59...(35) QG2 VAL 93 - HB3 LYS 95 far 0 29 0 - 6.9-8.0 QG2 VAL 93 - HB3 LYS 86 far 0 90 0 - 7.4-9.2 Violated in 0 structures by 0.00 A. Peak 9826 from aliabs.peaks (0.28, 1.41, 25.19 ppm; 5.12 A): 1 out of 2 assignments used, quality = 0.92: QD1 ILE 80 + HG2 LYS 86 OK 92 92 100 100 1.6-3.6 11225/1.8=84, 9720=83...(51) QG2 VAL 93 - HG2 LYS 86 far 10 99 10 - 6.3-8.1 Violated in 0 structures by 0.00 A. Peak 9827 from aliabs.peaks (0.27, 1.48, 25.19 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 80 + HG3 LYS 86 OK 100 100 100 100 1.9-4.6 9720/1.8=94, 11225=83...(46) QG2 VAL 93 - HG3 LYS 86 far 4 83 5 - 6.1-8.6 QG2 VAL 93 - HG3 LYS 36 far 0 36 0 - 9.7-15.6 Violated in 0 structures by 0.00 A. Peak 9828 from aliabs.peaks (0.29, 1.65, 28.97 ppm; 5.44 A): 1 out of 9 assignments used, quality = 0.47: QG2 VAL 93 + HD3 LYS 95 OK 47 97 50 97 6.1-8.5 2.1/11324=49...(18) QG2 VAL 93 - HD2 LYS 95 poor 20 99 20 - 5.9-9.0 QG2 VAL 93 - HD2 LYS 36 far 0 78 0 - 8.8-14.1 QG2 VAL 93 - HD3 LYS 31 far 0 97 0 - 9.1-21.2 QD1 ILE 80 - HD2 LYS 36 far 0 40 0 - 9.1-17.3 QD1 ILE 80 - HD2 LYS 95 far 0 57 0 - 9.7-13.6 QG2 VAL 93 - HD2 LYS 31 far 0 98 0 - 9.8-20.4 QG2 VAL 93 - HD3 LYS 36 far 0 80 0 - 9.9-14.8 QD1 ILE 80 - HD3 LYS 36 far 0 41 0 - 10.0-18.0 Violated in 20 structures by 1.62 A. Peak 9833 from aliabs.peaks (1.93, 3.23, 38.11 ppm; 4.76 A): 3 out of 7 assignments used, quality = 0.92: HB3 LYS 86 + HB3 PHE 87 OK 71 72 100 98 4.0-6.0 7157/4.0=53, 2724/3.0=33...(19) HB3 LYS 86 + HB2 PHE 87 OK 57 78 75 98 4.4-7.1 7157/4.0=53, 2724/3.0=33...(19) HB3 ARG 90 + HB2 PHE 87 OK 35 90 40 97 5.5-8.3 ~2723=50, ~2723=38...(15) HB3 ARG 90 - HB3 PHE 87 poor 17 85 20 - 5.9-8.1 HB2 ARG 90 - HB2 PHE 87 far 4 78 5 - 6.2-8.1 HB2 ARG 90 - HB3 PHE 87 far 4 72 5 - 6.2-8.3 HB3 PRO 81 - HB3 PHE 87 far 0 83 0 - 9.8-12.9 Violated in 5 structures by 0.08 A. Peak 9834 from aliabs.peaks (1.65, 3.23, 38.11 ppm; 4.44 A): 3 out of 10 assignments used, quality = 0.99: QB ALA 88 + HB2 PHE 87 OK 93 93 100 100 3.6-5.2 7185/4.5=58, 11294=39...(23) QB ALA 88 + HB3 PHE 87 OK 87 88 100 100 3.5-5.3 7185/4.5=58, 11294=39...(23) HD2 LYS 86 + HB3 PHE 87 OK 25 95 30 86 4.8-9.2 3.5/9833=25...(24) HG3 ARG 84 - HB3 PHE 87 poor 17 94 30 60 5.4-7.9 3.9/2532=26...(11) HG3 ARG 84 - HB2 PHE 87 poor 15 98 25 60 5.3-8.3 3.9/2531=25, ~11349=9...(11) HG2 ARG 84 - HB2 PHE 87 far 14 96 15 - 5.5-8.5 HG2 ARG 84 - HB3 PHE 87 far 14 90 15 - 5.6-8.0 HD3 LYS 86 - HB3 PHE 87 far 5 96 5 - 5.4-8.1 HD2 LYS 86 - HB2 PHE 87 far 0 99 0 - 6.1-9.5 HD3 LYS 86 - HB2 PHE 87 far 0 100 0 - 6.8-8.6 Violated in 0 structures by 0.00 A. Peak 9835 from aliabs.peaks (1.23, 3.23, 38.11 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 83 + HB2 PHE 87 OK 100 100 100 100 3.5-6.1 9776/2.5=95, 9761/1.8=63...(14) QG2 THR 83 + HB3 PHE 87 OK 97 97 100 100 3.5-5.5 9776/2.5=95, 9761=57...(15) HG12 ILE 80 - HB3 PHE 87 far 0 77 0 - 7.1-10.4 HG12 ILE 80 - HB2 PHE 87 far 0 83 0 - 7.3-10.7 Violated in 1 structures by 0.01 A. Peak 9836 from aliabs.peaks (1.65, 7.32, 131.40 ppm; 5.06 A): 3 out of 7 assignments used, quality = 0.97: QB ALA 88 + QD PHE 87 OK 93 93 100 100 3.5-5.4 3.0/7181=71, 2.1/9849=66...(22) HD3 LYS 86 + QD PHE 87 OK 35 100 40 89 4.8-8.4 9759/9776=43...(8) HD2 LYS 86 + QD PHE 87 OK 30 99 35 86 3.2-9.2 9759/9776=43...(8) HG3 ARG 84 - QD PHE 87 poor 18 98 30 60 5.3-9.0 3.9/5522=27...(7) HG2 ARG 84 - QD PHE 87 far 10 96 10 - 5.8-8.5 HD2 LYS 95 - QD PHE 87 far 0 100 0 - 8.2-12.0 HD3 LYS 95 - QD PHE 87 far 0 97 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 9837 from aliabs.peaks (1.23, 7.32, 131.40 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.95: QG2 THR 83 + QD PHE 87 OK 95 100 95 100 2.0-5.8 9776=98, 9761/2.5=46...(14) HG12 ILE 80 - QD PHE 87 far 0 90 0 - 6.0-10.3 Violated in 14 structures by 0.52 A. Peak 9838 from aliabs.peaks (0.86, 7.32, 131.40 ppm; 5.20 A): 0 out of 1 assignment used, quality = 0.00: QG1 VAL 133 - QD PHE 87 far 0 78 0 - 9.4-11.1 Violated in 20 structures by 5.01 A. Peak 9839 from aliabs.peaks (1.96, 7.32, 131.40 ppm; 5.49 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 86 + QD PHE 87 OK 100 100 100 100 4.0-6.9 7157/4.2=79...(13) HB3 ARG 90 + QD PHE 87 OK 57 99 65 88 4.3-7.2 2804/3.7=49...(11) HB2 LYS 95 - QD PHE 87 far 0 78 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 9840 from aliabs.peaks (2.28, 7.32, 131.40 ppm; 6.24 A): 0 out of 1 assignment used, quality = 0.00: HB VAL 132 - QD PHE 87 far 5 100 5 - 7.7-9.6 Violated in 20 structures by 2.39 A. Peak 9841 from aliabs.peaks (1.64, 4.27, 61.07 ppm; 5.80 A): 5 out of 27 assignments used, quality = 1.00: HD3 LYS 86 + HA PHE 87 OK 98 99 100 99 4.7-7.2 ~7158=46, 3.5/2724=44...(17) QB ALA 88 + HA PHE 87 OK 87 87 100 100 5.0-5.0 7185/3.6=86, ~7170=65...(20) HD2 LYS 86 + HA PHE 87 OK 43 97 45 99 3.9-7.8 ~7158=46, 3.5/2724=44...(17) HD3 LYS 24 + HA THR 25 OK 26 27 95 99 3.3-8.1 ~6234=47, ~6235=35...(26) HD2 LYS 24 + HA THR 25 OK 22 23 95 99 2.7-7.9 ~6234=47, ~6235=35...(26) HD2 LYS 26 - HA THR 25 poor 19 24 80 - 3.7-8.6 HD3 LYS 26 - HA THR 25 poor 18 22 80 - 4.5-8.0 HD2 LYS 31 - HA THR 25 poor 7 27 25 - 4.3-15.2 HD3 LYS 19 - HA THR 25 poor 6 29 20 - 5.3-20.4 HD3 LYS 31 - HA THR 25 poor 5 25 20 - 4.3-14.5 HD3 LYS 36 - HA THR 25 far 3 23 15 - 5.9-22.2 HD2 LYS 36 - HA THR 25 far 2 22 10 - 4.6-21.6 HD3 LYS 31 - HA SER 74 far 2 38 5 - 7.2-24.8 HB2 LEU 98 - HA THR 25 far 1 29 5 - 6.0-30.6 HD2 LYS 19 - HA THR 25 far 1 28 5 - 4.9-18.6 HG2 ARG 84 - HA PHE 87 far 0 99 0 - 7.7-9.7 HG3 ARG 84 - HA PHE 87 far 0 100 0 - 7.9-9.7 HD3 LYS 86 - HA SER 74 far 0 42 0 - 8.1-13.0 HD2 LYS 31 - HA SER 74 far 0 40 0 - 8.3-23.9 HD2 LYS 95 - HA THR 25 far 0 27 0 - 8.4-31.3 HD3 LYS 95 - HA THR 25 far 0 24 0 - 8.5-30.6 HB2 LEU 69 - HA SER 74 far 0 43 0 - 9.0-11.4 HD2 LYS 86 - HA SER 74 far 0 40 0 - 9.1-12.5 HD2 LYS 95 - HA PHE 87 far 0 98 0 - 9.6-13.0 HD2 LYS 95 - HA SER 74 far 0 41 0 - 9.6-12.5 HD3 LYS 95 - HA SER 74 far 0 37 0 - 9.6-11.9 QB ALA 88 - HA SER 74 far 0 33 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9842 from aliabs.peaks (0.86, 4.27, 61.07 ppm; 5.33 A): 0 out of 13 assignments used, quality = 0.00: QD2 LEU 70 - HA SER 74 poor 14 44 55 59 4.3-7.8 11123/2.9=31...(8) QG2 ILE 32 - HA THR 25 poor 6 22 30 - 2.5-14.2 QD2 LEU 69 - HA SER 74 far 2 41 5 - 6.1-10.8 QD1 LEU 98 - HA THR 25 far 1 29 5 - 4.3-26.6 QG2 ILE 32 - HA SER 74 far 0 33 0 - 7.0-16.2 QD2 LEU 22 - HA THR 25 far 0 23 0 - 7.2-10.6 QD2 LEU 98 - HA SER 74 far 0 25 0 - 7.6-10.6 QG1 VAL 133 - HA SER 74 far 0 33 0 - 7.9-9.2 QG2 VAL 57 - HA THR 25 far 0 29 0 - 8.2-20.6 QG1 VAL 133 - HA PHE 87 far 0 87 0 - 8.8-10.8 QD2 LEU 69 - HA THR 25 far 0 27 0 - 9.2-18.7 QD1 LEU 98 - HA SER 74 far 0 44 0 - 9.3-12.3 QD2 LEU 70 - HA THR 25 far 0 29 0 - 9.4-19.4 Violated in 11 structures by 0.29 A. Peak 9847 from aliabs.peaks (7.29, 1.66, 18.14 ppm; 4.88 A): 3 out of 4 assignments used, quality = 1.00: H ASN 85 + QB ALA 88 OK 99 99 100 100 5.0-5.5 2.9/2750=93, 3.6/9853=67...(17) QD PHE 87 + QB ALA 88 OK 68 68 100 100 3.5-5.4 7181/7185=47...(21) QE PHE 87 + QB ALA 88 OK 60 89 70 96 4.6-7.2 ~9849=45, ~7181=44...(12) HZ PHE 89 - QB ALA 88 far 0 93 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 9848 from aliabs.peaks (6.65, 1.66, 18.14 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 9849 from aliabs.peaks (7.31, 4.20, 54.66 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 87 + HA ALA 88 OK 100 100 100 100 3.4-5.7 7181/2.9=83...(23) HE ARG 90 - HA ALA 88 poor 15 76 20 - 6.1-9.4 Violated in 2 structures by 0.01 A. Peak 9852 from aliabs.peaks (3.29, 1.66, 18.14 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.60: HB2 PHE 89 + QB ALA 88 OK 60 60 100 100 4.3-5.2 4.7=100 HB3 CYS 73 - QB ALA 88 far 0 81 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 9853 from aliabs.peaks (2.69, 1.66, 18.14 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.98: HB2 ASN 85 + QB ALA 88 OK 98 100 100 98 4.3-4.9 3.0/2750=82, ~7174=32...(11) Violated in 18 structures by 0.27 A. Peak 9854 from aliabs.peaks (2.22, 1.66, 18.14 ppm; 4.64 A): 2 out of 6 assignments used, quality = 0.95: HG2 GLU 91 + QB ALA 88 OK 92 97 95 100 4.7-6.4 9916/2.1=80, 3.0/9865=68...(24) HB3 GLU 128 + QB ALA 88 OK 43 97 55 80 5.3-8.3 3.0/9855=64...(9) HB2 GLN 82 - QB ALA 88 far 0 93 0 - 7.4-9.0 HB3 LEU 96 - QB ALA 88 far 0 81 0 - 8.5-11.7 HB3 GLN 127 - QB ALA 88 far 0 100 0 - 9.0-12.4 HB2 PRO 81 - QB ALA 88 far 0 76 0 - 9.0-11.2 Violated in 19 structures by 0.40 A. Peak 9855 from aliabs.peaks (2.32, 1.66, 18.14 ppm; 4.67 A): 1 out of 3 assignments used, quality = 0.28: HG2 GLU 128 + QB ALA 88 OK 28 81 65 54 4.2-8.4 3.0/9854=21...(7) HB VAL 77 - QB ALA 88 far 0 83 0 - 7.8-9.6 HB3 GLN 134 - QB ALA 88 far 0 98 0 - 10.0-11.2 Violated in 18 structures by 1.29 A. Peak 9856 from aliabs.peaks (2.86, 1.66, 18.14 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.25: HB3 ASP 131 + QB ALA 88 OK 25 100 35 70 5.6-8.6 10516/11661=30...(5) HE3 LYS 95 - QB ALA 88 far 0 99 0 - 7.5-11.1 HE2 LYS 95 - QB ALA 88 far 0 98 0 - 8.1-10.3 Violated in 20 structures by 2.23 A. Peak 9857 from aliabs.peaks (3.49, 1.66, 18.14 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.96: HA VAL 132 + QB ALA 88 OK 96 97 100 99 4.6-6.2 3.2/10533=61...(15) Violated in 13 structures by 0.29 A. Peak 9858 from aliabs.peaks (3.84, 1.66, 18.14 ppm; 5.46 A): 0 out of 2 assignments used, quality = 0.00: HD2 PRO 81 - QB ALA 88 far 0 96 0 - 7.2-9.1 HB2 SER 130 - QB ALA 88 far 0 81 0 - 8.9-10.3 Violated in 20 structures by 2.15 A. Peak 9859 from aliabs.peaks (3.21, 4.20, 54.66 ppm; 5.17 A): 2 out of 6 assignments used, quality = 0.94: HB2 PHE 87 + HA ALA 88 OK 83 83 100 100 3.8-5.6 2.5/9849=66, ~7181=47...(25) HB3 PHE 87 + HA ALA 88 OK 65 65 100 100 4.1-5.6 2.5/9849=66, ~7181=47...(25) HD3 ARG 84 - HA ALA 88 far 8 85 10 - 6.3-11.7 HD2 ARG 84 - HA ALA 88 lone 5 85 45 13 5.6-11.8 ~7182=3, 11363/2.1=3...(4) HD3 ARG 135 - HA ALA 88 far 0 65 0 - 7.8-11.3 HB3 CYS 125 - HA ALA 88 far 0 99 0 - 8.1-12.3 Violated in 0 structures by 0.00 A. Peak 9860 from aliabs.peaks (1.13, 4.20, 54.66 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 132 + HA ALA 88 OK 100 100 100 100 4.1-6.0 10533/2.1=64, ~11661=42...(22) QG2 VAL 132 + HA ALA 88 OK 92 92 100 100 4.7-5.8 9861/2.1=48, ~10533=45...(23) Violated in 6 structures by 0.12 A. Peak 9861 from aliabs.peaks (1.13, 1.66, 18.14 ppm; 2.90 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 132 + QB ALA 88 OK 96 100 100 97 1.8-3.4 10533=55, 2.1/10533=22...(27) QG2 VAL 132 + QB ALA 88 OK 95 99 100 96 2.6-4.0 2.1/10533=37, 10533=31...(31) Violated in 4 structures by 0.03 A. Peak 9862 from aliabs.peaks (0.81, 1.66, 18.14 ppm; 4.05 A): 1 out of 7 assignments used, quality = 0.28: QG2 ILE 129 + QB ALA 88 OK 28 97 35 83 4.5-6.4 11175=18, 10531/10533=18...(19) QG1 VAL 133 - QB ALA 88 far 0 71 0 - 5.8-7.4 QG2 ILE 80 - QB ALA 88 far 0 100 0 - 5.9-6.6 HG13 ILE 80 - QB ALA 88 far 0 100 0 - 6.8-8.6 QD2 LEU 122 - QB ALA 88 far 0 63 0 - 9.6-13.2 QD1 LEU 70 - QB ALA 88 far 0 100 0 - 9.8-12.0 QD1 LEU 122 - QB ALA 88 far 0 99 0 - 9.9-13.1 Violated in 20 structures by 1.58 A. Peak 9863 from aliabs.peaks (0.29, 1.66, 18.14 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.94: QG2 VAL 93 + QB ALA 88 OK 88 99 95 94 6.0-7.5 9924/11359=34...(18) QD1 ILE 80 + QB ALA 88 OK 50 57 95 92 4.8-7.5 9869/7195=30...(21) Violated in 10 structures by 0.22 A. Peak 9865 from aliabs.peaks (2.02, 1.66, 18.14 ppm; 3.85 A): 2 out of 10 assignments used, quality = 0.83: HB2 GLU 91 + QB ALA 88 OK 71 71 100 100 4.0-4.3 ~2868=46, 2860/2.1=37...(27) HB3 GLU 91 + QB ALA 88 OK 43 95 45 100 4.6-5.7 2868/2.1=63, ~2860=43...(22) HG2 ARG 90 - QB ALA 88 far 0 100 0 - 5.5-7.0 HG3 ARG 135 - QB ALA 88 far 0 95 0 - 5.8-7.9 HB ILE 129 - QB ALA 88 far 0 89 0 - 6.5-7.8 HG2 PRO 81 - QB ALA 88 far 0 95 0 - 6.7-8.7 HG3 PRO 81 - QB ALA 88 far 0 57 0 - 7.3-9.8 HB2 GLN 127 - QB ALA 88 far 0 60 0 - 8.7-11.8 HB2 GLN 134 - QB ALA 88 far 0 100 0 - 9.0-11.5 HB2 PRO 81 - QB ALA 88 far 0 48 0 - 9.0-11.2 Violated in 20 structures by 0.17 A. Peak 9873 from aliabs.peaks (1.14, 4.08, 62.01 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + HA PHE 89 OK 100 100 100 100 2.0-3.8 2.1/10539=50...(36) QG1 VAL 132 + HA PHE 89 OK 96 96 100 100 3.3-4.9 10539=59, 2.1/11377=48...(35) Violated in 0 structures by 0.00 A. Peak 9874 from aliabs.peaks (0.27, 4.08, 62.01 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.99: QD1 ILE 80 + HA PHE 89 OK 95 100 95 100 3.9-7.3 9747/3.1=89...(30) QG2 VAL 93 + HA PHE 89 OK 83 83 100 100 3.2-6.0 9945/2897=65...(22) Violated in 0 structures by 0.00 A. Peak 9875 from aliabs.peaks (1.14, 3.32, 39.57 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 132 + HB2 PHE 89 OK 100 100 100 100 1.9-5.8 2.1/10537=47, 10537=42...(29) QG1 VAL 132 + HB2 PHE 89 OK 82 97 85 100 3.0-6.5 10537=51, 10539/3.0=47...(30) HG2 LYS 39 - HB2 PHE 89 far 0 100 0 - 9.4-14.3 Violated in 3 structures by 0.04 A. Peak 9876 from aliabs.peaks (0.26, 3.32, 39.57 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB2 PHE 89 OK 100 100 100 100 1.9-5.6 9747/2.7=85, 9749/4.5=55...(34) QG2 VAL 93 + HB2 PHE 89 OK 56 63 95 94 3.9-7.1 9924/2.7=39...(21) Violated in 0 structures by 0.00 A. Peak 9877 from aliabs.peaks (1.14, 3.34, 39.57 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 132 + HB3 PHE 89 OK 100 100 100 100 2.0-4.5 ~11943=42, 10537/1.8=42...(29) QG1 VAL 132 + HB3 PHE 89 OK 93 93 100 100 2.8-5.5 10537/1.8=47...(30) HG2 LYS 39 - HB3 PHE 89 far 0 99 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 9878 from aliabs.peaks (0.27, 3.34, 39.57 ppm; 4.74 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HB3 PHE 89 OK 100 100 100 100 1.9-4.8 9747/2.7=86, 9749/4.5=56...(27) QG2 VAL 93 + HB3 PHE 89 OK 79 85 95 98 4.3-6.3 9924/2.7=61...(16) Violated in 0 structures by 0.00 A. Peak 9879 from aliabs.peaks (2.31, 7.07, 131.13 ppm; 6.40 A): 2 out of 4 assignments used, quality = 0.76: HB VAL 77 + QD PHE 89 OK 68 68 100 100 2.2-3.8 2.1/9677=100...(29) HG2 GLU 128 + QD PHE 89 OK 24 65 40 93 5.8-9.8 11319/11394=65...(6) HB3 GLN 134 - QD PHE 89 far 5 92 5 - 7.8-9.4 HG3 GLU 30 - QD PHE 89 far 0 99 0 - 8.9-23.4 Violated in 0 structures by 0.00 A. Peak 9880 from aliabs.peaks (1.16, 7.07, 131.13 ppm; 4.58 A): 2 out of 6 assignments used, quality = 0.94: QG2 VAL 77 + QD PHE 89 OK 78 78 100 100 1.8-2.2 2.1/9672=84, 2.1/9674=74...(33) QG2 VAL 132 + QD PHE 89 OK 73 73 100 100 1.8-4.3 2.1/11943=77...(39) HG2 LYS 39 - QD PHE 89 far 0 60 0 - 7.0-10.6 HG3 LYS 39 - QD PHE 89 far 0 100 0 - 8.4-11.1 QB ALA 41 - QD PHE 89 far 0 96 0 - 8.9-11.6 QG2 THR 18 - QD PHE 89 far 0 100 0 - 9.1-30.1 Violated in 0 structures by 0.00 A. Peak 9881 from aliabs.peaks (1.04, 7.07, 131.13 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QD PHE 89 OK 100 100 100 100 3.8-5.1 10554=98, 10552/2.2=94...(20) QG1 VAL 77 + QD PHE 89 OK 97 97 100 100 3.4-4.5 2.1/9677=97, 9674=89...(32) Violated in 0 structures by 0.00 A. Peak 9882 from aliabs.peaks (0.81, 7.07, 131.13 ppm; 5.92 A): 4 out of 9 assignments used, quality = 1.00: HG13 ILE 80 + QD PHE 89 OK 100 100 100 100 2.7-6.2 2.1/9747=98, ~9749=81...(34) QG2 ILE 80 + QD PHE 89 OK 100 100 100 100 1.9-5.3 3.1/9747=94, ~9749=69...(33) QG2 ILE 129 + QD PHE 89 OK 93 93 100 100 2.3-3.0 3.2/10459=83...(39) QG1 VAL 133 + QD PHE 89 OK 60 60 100 100 1.8-3.4 2.1/10554=98, ~10552=88...(22) QD1 LEU 70 - QD PHE 89 far 5 100 5 - 7.4-9.6 QD2 LEU 122 - QD PHE 89 far 0 73 0 - 8.7-12.7 QD2 LEU 49 - QD PHE 89 far 0 95 0 - 8.8-10.7 QD1 LEU 122 - QD PHE 89 far 0 100 0 - 9.0-12.2 QG2 ILE 32 - QD PHE 89 far 0 60 0 - 10.0-15.2 Violated in 0 structures by 0.00 A. Peak 9883 from aliabs.peaks (0.28, 7.07, 131.13 ppm; 4.87 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + QD PHE 89 OK 97 97 100 100 1.8-5.0 9747=94, 9749/2.2=84...(36) QG2 VAL 93 + QD PHE 89 OK 95 95 100 100 1.8-4.0 9924=91, 11424/2.2=85...(32) Violated in 0 structures by 0.00 A. Peak 9884 from aliabs.peaks (7.83, 3.80, 59.97 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.98: H ALA 92 + HA ARG 90 OK 93 93 100 100 4.3-4.8 4.0/2792=94, 7243/3.6=93...(16) H ALA 88 + HA ARG 90 OK 72 73 100 98 7.0-7.3 ~11295=64, 7207/2.9=59...(7) Violated in 0 structures by 0.00 A. Peak 9886 from aliabs.peaks (7.07, 3.80, 59.97 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + HA ARG 90 OK 100 100 100 100 2.2-3.5 7213/2.9=94...(15) Violated in 0 structures by 0.00 A. Peak 9887 from aliabs.peaks (7.34, 1.74, 27.95 ppm; 5.84 A): 2 out of 2 assignments used, quality = 1.00: HE ARG 90 + HG3 ARG 90 OK 100 100 100 100 2.1-3.6 4.0=100 QD PHE 87 + HG3 ARG 90 OK 72 81 100 90 3.6-6.9 11298/2.9=36...(12) Violated in 0 structures by 0.00 A. Peak 9888 from aliabs.peaks (7.07, 1.74, 27.95 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + HG3 ARG 90 OK 100 100 100 100 2.9-5.6 9677/11303=83...(12) Violated in 2 structures by 0.01 A. Peak 9891 from aliabs.peaks (7.34, 3.16, 43.17 ppm; 4.03 A): 3 out of 4 assignments used, quality = 1.00: * HE ARG 90 + HD3 ARG 90 OK 100 100 100 100 2.6-2.9 2.9=100 HE ARG 90 + HD2 ARG 90 OK 100 100 100 100 2.6-2.9 2.9=100 QD PHE 87 + HD2 ARG 90 OK 22 80 55 51 3.4-7.0 11298/3.8=15...(8) QD PHE 87 - HD3 ARG 90 poor 16 81 40 50 2.4-7.7 11298/3.8=15...(8) Violated in 0 structures by 0.00 A. Peak 9897 from aliabs.peaks (1.41, 3.80, 59.97 ppm; 5.07 A): 2 out of 7 assignments used, quality = 0.96: QB ALA 92 + HA ARG 90 OK 89 89 100 100 5.0-5.3 3.7/2792=69, 3.0/9884=68...(20) HG2 LYS 86 + HA ARG 90 OK 64 100 65 99 5.9-7.8 11742/11192=74...(14) HG LEU 96 - HA ARG 90 far 5 92 5 - 6.5-9.3 HG2 LYS 95 - HA ARG 90 far 0 73 0 - 6.8-10.4 QB ALA 28 - HA ARG 90 far 0 63 0 - 8.1-23.6 QB ALA 34 - HA ARG 90 far 0 100 0 - 8.3-17.9 HG3 LYS 95 - HA ARG 90 far 0 65 0 - 8.3-11.0 Violated in 2 structures by 0.01 A. Peak 9898 from aliabs.peaks (1.17, 3.80, 59.97 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.93: QG2 VAL 77 + HA ARG 90 OK 87 87 100 100 1.8-3.3 2.1/11185=88, 11192=76...(20) QG2 VAL 132 + HA ARG 90 OK 43 63 80 86 5.9-7.9 9894/2.9=37...(14) Violated in 0 structures by 0.00 A. Peak 9899 from aliabs.peaks (0.78, 3.80, 59.97 ppm; 4.13 A): 1 out of 6 assignments used, quality = 0.60: QG1 VAL 93 + HA ARG 90 OK 60 60 100 100 1.7-4.1 2.1/9953=81, 2.1/2793=78...(17) QD1 LEU 96 - HA ARG 90 far 0 99 0 - 5.7-8.3 QD1 ILE 32 - HA ARG 90 far 0 97 0 - 7.4-17.9 QD2 LEU 122 - HA ARG 90 far 0 99 0 - 9.5-13.8 QD1 ILE 37 - HA ARG 90 far 0 97 0 - 9.6-15.0 QD1 LEU 122 - HA ARG 90 far 0 65 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 9900 from aliabs.peaks (0.28, 3.80, 59.97 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA ARG 90 OK 100 100 100 100 2.0-3.7 9953=100, 2.1/2793=72...(30) QD1 ILE 80 + HA ARG 90 OK 72 85 90 94 4.1-6.8 11183/2.9=31, 9726=31...(21) Violated in 0 structures by 0.00 A. Peak 9906 from aliabs.peaks (2.87, 2.09, 35.29 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.57: HE3 LYS 95 + HG3 GLU 91 OK 45 100 50 89 3.7-8.5 9908/1.8=43, ~9908=27...(9) HE2 LYS 95 + HG3 GLU 91 OK 21 100 25 86 5.3-9.1 9908/1.8=37, ~9908=32...(8) HB3 ASP 131 - HG3 GLU 91 far 0 99 0 - 9.1-12.9 Violated in 19 structures by 1.16 A. Peak 9908 from aliabs.peaks (2.86, 2.21, 35.29 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.89: HE3 LYS 95 + HG2 GLU 91 OK 72 100 80 90 2.0-7.6 9906/1.8=51...(12) HE2 LYS 95 + HG2 GLU 91 OK 62 99 70 89 3.6-8.9 ~9906=37, ~9906=35...(12) Violated in 8 structures by 0.42 A. Peak 9910 from aliabs.peaks (1.64, 2.09, 35.29 ppm; 4.13 A): 3 out of 7 assignments used, quality = 0.94: QB ALA 88 + HG3 GLU 91 OK 87 87 100 100 3.3-5.4 2.1/9915=66, ~9916=49...(26) HD2 LYS 95 + HG3 GLU 91 OK 37 98 45 84 4.1-8.9 3.0/9906=36, ~9908=20...(11) HD3 LYS 95 + HG3 GLU 91 OK 28 93 35 85 3.6-8.9 3.0/9906=36, ~9908=20...(12) HD2 LYS 86 - HG3 GLU 91 far 0 97 0 - 8.7-13.4 HG2 ARG 84 - HG3 GLU 91 far 0 99 0 - 9.1-12.7 HD3 LYS 86 - HG3 GLU 91 far 0 99 0 - 9.5-12.8 HG3 ARG 84 - HG3 GLU 91 far 0 100 0 - 9.7-12.7 Violated in 4 structures by 0.05 A. Peak 9911 from aliabs.peaks (1.40, 2.09, 35.29 ppm; 4.67 A): 2 out of 6 assignments used, quality = 0.72: QB ALA 92 + HG3 GLU 91 OK 60 60 100 100 3.0-6.2 3.0/2889=64...(23) HG2 LYS 95 + HG3 GLU 91 OK 30 96 35 89 4.9-9.0 3.7/9906=40, 9914/1.8=33...(13) HG3 LYS 95 - HG3 GLU 91 far 9 92 10 - 5.1-10.0 HG LEU 96 - HG3 GLU 91 far 0 100 0 - 7.9-13.0 HB2 LEU 96 - HG3 GLU 91 far 0 83 0 - 8.2-11.9 HG2 LYS 86 - HG3 GLU 91 far 0 95 0 - 9.1-12.3 Violated in 5 structures by 0.22 A. Peak 9912 from aliabs.peaks (0.87, 2.09, 35.29 ppm; 4.36 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 98 - HG3 GLU 91 far 0 96 0 - 8.3-11.1 QD1 LEU 98 - HG3 GLU 91 far 0 97 0 - 8.6-12.1 QD2 LEU 70 - HG3 GLU 91 far 0 95 0 - 9.4-14.2 Violated in 20 structures by 4.12 A. Peak 9913 from aliabs.peaks (0.87, 2.21, 35.29 ppm; 3.80 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 98 - HG2 GLU 91 far 0 98 0 - 7.0-10.0 QD1 LEU 98 - HG2 GLU 91 far 0 93 0 - 7.1-11.2 QG1 VAL 118 - HG2 GLU 91 far 0 83 0 - 8.7-15.7 QD2 LEU 70 - HG2 GLU 91 far 0 90 0 - 9.0-13.6 Violated in 20 structures by 3.65 A. Peak 9914 from aliabs.peaks (1.40, 2.21, 35.29 ppm; 4.42 A): 3 out of 6 assignments used, quality = 0.86: QB ALA 92 + HG2 GLU 91 OK 57 71 80 100 3.2-6.0 3.0/7254=67...(25) HG2 LYS 95 + HG2 GLU 91 OK 55 90 75 81 3.2-8.6 3.7/9908=30, 3.7/9908=25...(10) HG3 LYS 95 + HG2 GLU 91 OK 28 85 40 82 3.7-9.2 3.7/9908=30, 3.7/9908=25...(11) HG LEU 96 - HG2 GLU 91 far 0 99 0 - 7.2-12.3 HB2 LEU 96 - HG2 GLU 91 far 0 73 0 - 7.5-11.6 HG2 LYS 86 - HG2 GLU 91 far 0 98 0 - 9.2-13.0 Violated in 5 structures by 0.27 A. Peak 9915 from aliabs.peaks (4.22, 2.09, 35.29 ppm; 4.35 A): 1 out of 4 assignments used, quality = 0.89: HA ALA 88 + HG3 GLU 91 OK 89 89 100 100 2.3-4.1 9916/1.8=82, 11819=69...(18) HA SER 94 - HG3 GLU 91 far 0 90 0 - 8.2-9.3 HA ARG 84 - HG3 GLU 91 far 0 73 0 - 8.5-11.2 HA SER 124 - HG3 GLU 91 far 0 81 0 - 9.9-15.0 Violated in 0 structures by 0.00 A. Peak 9916 from aliabs.peaks (4.22, 2.21, 35.29 ppm; 4.15 A): 1 out of 3 assignments used, quality = 0.81: HA ALA 88 + HG2 GLU 91 OK 81 81 100 100 4.1-5.3 9915/1.8=71, 11913=56...(15) HA SER 94 - HG2 GLU 91 far 0 96 0 - 7.0-7.9 HA ARG 84 - HG2 GLU 91 far 0 83 0 - 9.6-12.6 Violated in 17 structures by 0.37 A. Peak 9917 from aliabs.peaks (7.30, 2.09, 35.29 ppm; 5.12 A): 2 out of 3 assignments used, quality = 0.81: QD PHE 87 + HG3 GLU 91 OK 66 89 75 99 2.9-8.0 9918/1.8=85, 11351=52...(10) QE PHE 87 + HG3 GLU 91 OK 44 68 65 99 3.7-9.9 ~9918=63, ~9918=62...(9) H ASN 85 - HG3 GLU 91 far 0 89 0 - 9.7-11.4 Violated in 11 structures by 0.54 A. Peak 9918 from aliabs.peaks (7.31, 2.21, 35.29 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.29: QD PHE 87 + HG2 GLU 91 OK 29 99 30 99 3.9-8.7 11352=84, 11351/1.8=63...(11) HE ARG 90 - HG2 GLU 91 far 3 60 5 - 6.2-10.6 Violated in 17 structures by 1.87 A. Peak 9920 from aliabs.peaks (7.83, 1.83, 31.24 ppm; 5.82 A): 1 out of 1 assignment used, quality = 0.99: H ALA 92 + HB VAL 93 OK 99 99 100 100 4.5-6.0 9936/2.1=98...(26) Violated in 1 structures by 0.01 A. Peak 9922 from aliabs.peaks (7.80, 0.29, 23.10 ppm; 4.50 A): 2 out of 3 assignments used, quality = 0.99: H ALA 92 + QG2 VAL 93 OK 93 93 100 100 3.7-4.7 9936=90, 3.0/9945=74...(29) H GLY 75 + QG2 VAL 93 OK 86 89 100 97 4.7-5.2 4.1/9576=45, ~9608=40...(18) HD22 ASN 121 - QG2 VAL 93 far 0 71 0 - 9.1-13.7 Violated in 0 structures by 0.00 A. Peak 9923 from aliabs.peaks (7.33, 0.29, 23.10 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.75: HZ PHE 89 + QG2 VAL 93 OK 65 65 100 100 3.0-5.5 2.2/11424=76...(19) HE ARG 90 + QG2 VAL 93 OK 29 99 30 96 4.0-7.2 11841/9969=45...(14) QD PHE 87 - QG2 VAL 93 far 0 92 0 - 7.7-8.9 Violated in 1 structures by 0.01 A. Peak 9924 from aliabs.peaks (7.07, 0.29, 23.10 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + QG2 VAL 93 OK 100 100 100 100 1.8-4.0 2.2/11424=78...(31) Violated in 0 structures by 0.00 A. Peak 9927 from aliabs.peaks (3.21, 4.05, 54.95 ppm; 6.48 A): 1 out of 2 assignments used, quality = 0.97: HB3 CYS 125 + HA ALA 92 OK 97 97 100 100 2.3-6.6 1.8/11395=98, ~10376=79...(27) HB2 PHE 87 - HA ALA 92 far 0 89 0 - 9.7-11.3 Violated in 1 structures by 0.01 A. Peak 9928 from aliabs.peaks (2.86, 4.05, 54.95 ppm; 4.48 A): 2 out of 3 assignments used, quality = 0.97: HE3 LYS 95 + HA ALA 92 OK 87 98 90 98 3.6-6.3 9950/2.1=43...(23) HE2 LYS 95 + HA ALA 92 OK 80 97 85 97 4.2-6.5 3.0/9941=37, 3.0/9941=37...(23) HB3 ASP 131 - HA ALA 92 far 0 100 0 - 8.9-11.1 Violated in 10 structures by 0.27 A. Peak 9940 from aliabs.peaks (2.23, 4.05, 54.95 ppm; 5.57 A): 3 out of 6 assignments used, quality = 1.00: HB3 GLU 128 + HA ALA 92 OK 95 100 95 100 4.1-7.6 ~10444=81, ~10444=77...(25) HG2 GLU 91 + HA ALA 92 OK 89 89 100 100 2.8-6.4 7254/2.9=81, ~2889=65...(29) HB3 LEU 96 + HA ALA 92 OK 82 92 90 100 4.1-7.2 11354/9942=43...(24) HG2 GLU 97 - HA ALA 92 far 0 92 0 - 7.2-10.2 HB3 GLN 127 - HA ALA 92 far 0 100 0 - 8.4-11.9 HB3 GLU 97 - HA ALA 92 far 0 99 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 9941 from aliabs.peaks (1.64, 4.05, 54.95 ppm; 3.94 A): 2 out of 7 assignments used, quality = 0.85: HD2 LYS 95 + HA ALA 92 OK 62 93 70 95 1.9-6.7 5.5/2894=27, 3.0/9928=26...(27) HD3 LYS 95 + HA ALA 92 OK 61 85 75 97 2.1-5.8 5.5/2894=27, 3.0/9928=26...(28) QB ALA 88 - HA ALA 92 far 0 76 0 - 5.9-6.5 HG LEU 70 - HA ALA 92 far 0 63 0 - 8.5-12.1 HB2 LEU 98 - HA ALA 92 far 0 99 0 - 8.8-10.9 HD2 LYS 24 - HA ALA 92 far 0 81 0 - 9.0-33.4 HD3 LYS 24 - HA ALA 92 far 0 95 0 - 9.0-34.3 Violated in 8 structures by 0.45 A. Peak 9942 from aliabs.peaks (0.64, 4.05, 54.95 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 129 + HA ALA 92 OK 99 99 100 100 3.4-4.3 10491/2.1=99...(39) QD1 LEU 42 - HA ALA 92 far 0 97 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 9943 from aliabs.peaks (0.29, 4.05, 54.95 ppm; 5.34 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HA ALA 92 OK 100 100 100 100 4.7-5.4 9945/2.1=98, 7270/3.6=91...(42) QD1 ILE 80 - HA ALA 92 far 0 76 0 - 8.3-11.6 Violated in 1 structures by 0.01 A. Peak 9944 from aliabs.peaks (0.66, 1.43, 18.11 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.97: QD1 ILE 129 + QB ALA 92 OK 97 97 100 100 1.7-2.7 10491=95, 2.1/11317=52...(34) QD1 LEU 42 - QB ALA 92 far 0 63 0 - 6.3-9.0 QD2 LEU 100 - QB ALA 92 far 0 89 0 - 7.5-10.2 QD2 LEU 62 - QB ALA 92 far 0 92 0 - 8.5-11.1 QD1 LEU 43 - QB ALA 92 far 0 90 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 9945 from aliabs.peaks (0.28, 1.43, 18.11 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QB ALA 92 OK 100 100 100 100 2.9-4.8 9970=67, 10487/10491=63...(43) QD1 ILE 80 - QB ALA 92 far 0 85 0 - 5.7-8.5 Violated in 1 structures by 0.05 A. Peak 9946 from aliabs.peaks (0.83, 1.43, 18.11 ppm; 3.60 A): 1 out of 8 assignments used, quality = 0.99: QG2 ILE 129 + QB ALA 92 OK 99 99 100 100 3.1-4.2 4163/10491=64...(40) QG1 VAL 133 - QB ALA 92 far 0 99 0 - 5.5-6.5 QD2 LEU 70 - QB ALA 92 far 0 71 0 - 5.6-8.3 QD1 LEU 122 - QB ALA 92 far 0 68 0 - 5.7-9.0 QD1 LEU 70 - QB ALA 92 far 0 83 0 - 5.7-8.1 QG2 ILE 80 - QB ALA 92 far 0 89 0 - 6.3-8.7 QD1 LEU 98 - QB ALA 92 far 0 65 0 - 6.9-8.8 HG13 ILE 80 - QB ALA 92 far 0 83 0 - 8.2-10.2 Violated in 13 structures by 0.15 A. Peak 9947 from aliabs.peaks (1.14, 1.43, 18.11 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + QB ALA 92 OK 99 100 100 99 3.2-4.5 11737/10491=44...(30) QG1 VAL 132 + QB ALA 92 OK 80 97 85 96 3.7-5.7 11658=47, 10539/2897=29...(24) Violated in 12 structures by 0.19 A. Peak 9948 from aliabs.peaks (1.96, 1.43, 18.11 ppm; 3.70 A): 1 out of 6 assignments used, quality = 0.64: HB2 LYS 95 + QB ALA 92 OK 64 73 95 92 3.5-5.5 2896/2.1=19, ~2896=19...(26) HB3 LYS 95 - QB ALA 92 poor 18 81 25 91 4.7-6.1 2896/2.1=19, ~2895=19...(23) HB3 ARG 90 - QB ALA 92 far 0 97 0 - 6.2-6.7 HB3 LYS 86 - QB ALA 92 far 0 100 0 - 8.8-9.3 HG LEU 53 - QB ALA 92 far 0 71 0 - 9.4-12.7 HB2 GLN 27 - QB ALA 92 far 0 100 0 - 9.8-22.9 Violated in 19 structures by 0.68 A. Peak 9949 from aliabs.peaks (2.40, 1.43, 18.11 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.76: HG3 GLU 128 + QB ALA 92 OK 76 85 90 100 2.3-6.3 1.8/10446=90, 10447=77...(18) HG3 GLU 97 - QB ALA 92 far 0 100 0 - 7.1-8.8 Violated in 10 structures by 0.47 A. Peak 9950 from aliabs.peaks (2.86, 1.43, 18.11 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.69: HE3 LYS 95 + QB ALA 92 OK 53 98 55 99 5.0-7.2 11351/3.0=43...(19) HE2 LYS 95 + QB ALA 92 OK 33 97 35 98 5.1-7.3 9928/2.1=37, 5.3/9948=37...(18) HB3 ASP 131 - QB ALA 92 far 5 100 5 - 5.7-7.4 Violated in 20 structures by 0.80 A. Peak 9951 from aliabs.peaks (3.24, 1.43, 18.11 ppm; 4.45 A): 1 out of 4 assignments used, quality = 0.90: HA VAL 93 + QB ALA 92 OK 90 90 100 100 3.8-3.9 2.9/7267=78, 3.2/9945=70...(30) HB2 PHE 87 - QB ALA 92 far 0 96 0 - 7.6-9.0 HD3 ARG 135 - QB ALA 92 far 0 100 0 - 7.7-10.9 HB3 PHE 87 - QB ALA 92 far 0 100 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 9952 from aliabs.peaks (3.44, 1.43, 18.11 ppm; 3.89 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 126 + QB ALA 92 OK 96 99 100 97 3.6-4.8 10402/10491=56...(19) HA ILE 129 + QB ALA 92 OK 96 96 100 100 2.8-3.8 10478=69, 3.2/9946=60...(27) HA VAL 77 - QB ALA 92 far 0 99 0 - 7.4-8.5 HA LEU 42 - QB ALA 92 far 0 65 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 9953 from aliabs.peaks (3.80, 0.29, 23.10 ppm; 3.72 A): 1 out of 8 assignments used, quality = 1.00: HA ARG 90 + QG2 VAL 93 OK 100 100 100 100 2.0-3.7 2793/2.1=65, 9962/2.1=65...(29) HA SER 130 - QG2 VAL 93 far 0 68 0 - 6.2-9.5 HB2 SER 130 - QG2 VAL 93 far 0 81 0 - 6.4-9.9 HB3 SER 130 - QG2 VAL 93 far 0 65 0 - 6.7-11.1 HB3 SER 9 - QG2 VAL 93 far 0 100 0 - 8.3-40.5 HA LEU 43 - QG2 VAL 93 far 0 78 0 - 8.4-11.8 HB2 SER 9 - QG2 VAL 93 far 0 93 0 - 9.6-41.7 HB2 SER 50 - QG2 VAL 93 far 0 68 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 9954 from aliabs.peaks (4.06, 0.29, 23.10 ppm; 4.07 A): 4 out of 7 assignments used, quality = 1.00: HA ALA 92 + QG2 VAL 93 OK 100 100 100 100 4.7-5.4 2.1/9945=75, 3.6/7270=64...(38) HB2 SER 74 + QG2 VAL 93 OK 91 100 100 91 3.1-5.0 3.9/9576=38...(18) HB3 SER 74 + QG2 VAL 93 OK 89 100 100 89 3.8-5.4 3.9/9576=38...(17) HA PHE 89 + QG2 VAL 93 OK 56 60 95 99 3.2-6.0 3.1/9924=57...(20) HA LEU 96 - QG2 VAL 93 far 0 100 0 - 5.9-7.0 HA LEU 122 - QG2 VAL 93 far 0 89 0 - 6.6-9.3 HD3 PRO 81 - QG2 VAL 93 far 0 83 0 - 7.8-10.2 Violated in 0 structures by 0.00 A. Peak 9955 from aliabs.peaks (4.36, 0.29, 23.10 ppm; 4.20 A): 1 out of 6 assignments used, quality = 0.85: HA CYS 73 + QG2 VAL 93 OK 85 85 100 100 3.1-4.7 11422/2.1=64...(34) HA CYS 125 - QG2 VAL 93 far 0 100 0 - 5.9-8.3 HA LEU 69 - QG2 VAL 93 far 0 97 0 - 6.6-8.6 HA ASP 78 - QG2 VAL 93 far 0 68 0 - 7.3-8.4 HA SER 9 - QG2 VAL 93 far 0 78 0 - 8.8-40.6 HA ASP 47 - QG2 VAL 93 far 0 81 0 - 9.7-14.6 Violated in 1 structures by 0.03 A. Peak 9956 from aliabs.peaks (4.25, 0.29, 23.10 ppm; 4.55 A): 1 out of 5 assignments used, quality = 0.97: HA SER 94 + QG2 VAL 93 OK 97 97 100 100 2.9-5.4 9963/2.1=84, 2.9/7282=77...(22) HA PHE 87 - QG2 VAL 93 far 0 81 0 - 7.1-7.9 HA ALA 28 - QG2 VAL 93 far 0 100 0 - 7.3-19.8 HA ALA 29 - QG2 VAL 93 far 0 78 0 - 8.7-16.7 HA SER 124 - QG2 VAL 93 far 0 99 0 - 9.3-11.4 Violated in 19 structures by 0.80 A. Peak 9957 from aliabs.peaks (3.43, 0.29, 23.10 ppm; 4.46 A): 3 out of 3 assignments used, quality = 1.00: HA VAL 126 + QG2 VAL 93 OK 94 100 95 99 4.1-6.7 11639/10487=71...(21) HA VAL 77 + QG2 VAL 93 OK 81 83 100 98 4.2-5.9 3.2/9969=64...(17) HA ILE 129 + QG2 VAL 93 OK 70 73 95 100 4.0-7.3 4.2/10487=64...(35) Violated in 2 structures by 0.05 A. Peak 9958 from aliabs.peaks (2.92, 0.29, 23.10 ppm; 6.80 A): 0 out of 3 assignments used, quality = 0.00: HE3 LYS 86 - QG2 VAL 93 poor 12 60 20 - 6.7-9.8 HB2 CYS 45 - QG2 VAL 93 far 0 98 0 - 8.8-11.6 HD2 ARG 135 - QG2 VAL 93 far 0 100 0 - 9.4-14.0 Violated in 19 structures by 1.07 A. Peak 9959 from aliabs.peaks (2.74, 0.29, 23.10 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.99: HB2 CYS 73 + QG2 VAL 93 OK 99 100 100 100 1.7-3.6 9961/2.1=60, 3.0/9955=46...(30) HB2 TYR 76 + QG2 VAL 93 OK 24 83 35 81 4.3-7.9 1.8/11415=27...(18) HB2 CYS 125 - QG2 VAL 93 far 9 95 10 - 4.5-6.9 HB3 ASP 78 - QG2 VAL 93 far 0 83 0 - 7.1-9.4 HB2 ASP 131 - QG2 VAL 93 far 0 73 0 - 8.7-12.0 Violated in 0 structures by 0.00 A. Peak 9960 from aliabs.peaks (2.92, 0.75, 21.32 ppm; 5.92 A): 0 out of 3 assignments used, quality = 0.00: HE3 LYS 86 - QG1 VAL 93 far 0 60 0 - 8.2-11.0 HB2 CYS 45 - QG1 VAL 93 far 0 98 0 - 9.4-12.7 HE3 LYS 31 - QG1 VAL 93 far 0 65 0 - 9.4-20.5 Violated in 20 structures by 2.88 A. Peak 9961 from aliabs.peaks (2.74, 0.75, 21.32 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.99: HB2 CYS 73 + QG1 VAL 93 OK 99 100 100 99 2.1-5.0 9959/2.1=62...(28) HB2 CYS 125 - QG1 VAL 93 far 5 99 5 - 5.2-7.2 HB2 TYR 76 - QG1 VAL 93 far 3 68 5 - 5.4-8.3 HB3 ASP 78 - QG1 VAL 93 far 0 93 0 - 7.1-9.0 HB2 ASP 131 - QG1 VAL 93 far 0 57 0 - 9.5-12.2 Violated in 4 structures by 0.12 A. Peak 9962 from aliabs.peaks (3.80, 0.75, 21.32 ppm; 3.90 A): 1 out of 6 assignments used, quality = 1.00: HA ARG 90 + QG1 VAL 93 OK 100 100 100 100 1.7-4.1 9953/2.1=74, 2793/2.1=71...(20) HA SER 130 - QG1 VAL 93 far 0 60 0 - 7.0-9.6 HB3 SER 9 - QG1 VAL 93 far 0 100 0 - 7.4-39.5 HB2 SER 130 - QG1 VAL 93 far 0 87 0 - 7.6-10.0 HB2 SER 9 - QG1 VAL 93 far 0 97 0 - 8.6-40.7 HA LEU 43 - QG1 VAL 93 far 0 71 0 - 9.7-11.7 Violated in 4 structures by 0.02 A. Peak 9963 from aliabs.peaks (4.24, 0.75, 21.32 ppm; 3.98 A): 1 out of 11 assignments used, quality = 1.00: HA SER 94 + QG1 VAL 93 OK 100 100 100 100 2.9-5.1 3.0/11420=62...(24) HA ALA 28 - QG1 VAL 93 far 5 100 5 - 4.8-19.6 HA GLU 30 - QG1 VAL 93 far 3 68 5 - 4.8-17.8 HA ALA 29 - QG1 VAL 93 far 0 93 0 - 6.3-16.2 HA PHE 87 - QG1 VAL 93 far 0 60 0 - 6.7-9.4 HA GLN 27 - QG1 VAL 93 far 0 99 0 - 7.6-20.5 HA ALA 34 - QG1 VAL 93 far 0 65 0 - 8.3-14.9 HA LYS 31 - QG1 VAL 93 far 0 60 0 - 8.7-18.4 HA SER 99 - QG1 VAL 93 far 0 89 0 - 9.5-11.8 HA LYS 26 - QG1 VAL 93 far 0 65 0 - 9.8-19.8 HA SER 124 - QG1 VAL 93 far 0 100 0 - 10.0-11.8 Violated in 3 structures by 0.06 A. Peak 9966 from aliabs.peaks (0.64, 3.25, 66.70 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 129 + HA VAL 93 OK 98 98 100 100 1.7-3.6 10461=97, 10487/3.2=65...(48) QD1 LEU 42 - HA VAL 93 far 0 99 0 - 6.7-9.9 Violated in 0 structures by 0.00 A. Peak 9967 from aliabs.peaks (0.64, 0.29, 23.10 ppm; 3.16 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 129 + QG2 VAL 93 OK 96 96 100 100 1.7-3.9 10487=82, 10461/2919=36...(60) QD1 LEU 42 + QG2 VAL 93 OK 31 100 35 90 4.3-7.1 11800/11424=25...(19) Violated in 2 structures by 0.06 A. Peak 9968 from aliabs.peaks (1.03, 0.29, 23.10 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.90: QD1 LEU 69 + QG2 VAL 93 OK 71 83 90 96 4.0-7.4 11038/10487=46...(19) QG1 VAL 77 + QG2 VAL 93 OK 65 65 100 100 3.4-4.7 2.1/9969=73...(33) QG2 VAL 133 - QG2 VAL 93 far 0 93 0 - 6.3-9.2 QG2 VAL 118 - QG2 VAL 93 far 0 71 0 - 10.0-11.4 Violated in 2 structures by 0.02 A. Peak 9969 from aliabs.peaks (1.18, 0.29, 23.10 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 77 + QG2 VAL 93 OK 100 100 100 100 2.1-4.2 9676/11424=59...(32) HG12 ILE 32 - QG2 VAL 93 far 0 65 0 - 8.3-16.0 QB ALA 41 - QG2 VAL 93 far 0 100 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 9970 from aliabs.peaks (1.42, 0.29, 23.10 ppm; 3.60 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 92 + QG2 VAL 93 OK 100 100 100 100 2.9-4.8 9945=78, 10491/10487=57...(41) HG LEU 96 + QG2 VAL 93 OK 49 65 75 99 3.7-5.5 3.0/9971=29, 9974/2.1=28...(42) QB ALA 34 - QG2 VAL 93 far 0 97 0 - 5.9-13.3 HG2 LYS 86 - QG2 VAL 93 far 0 97 0 - 6.3-8.1 HG13 ILE 32 - QG2 VAL 93 far 0 100 0 - 7.9-16.7 Violated in 1 structures by 0.00 A. Peak 9971 from aliabs.peaks (2.24, 0.29, 23.10 ppm; 4.35 A): 2 out of 7 assignments used, quality = 0.97: HB3 LEU 96 + QG2 VAL 93 OK 95 100 95 100 3.7-6.2 3.8/11425=51...(48) HG2 GLU 97 + QG2 VAL 93 OK 45 100 45 100 4.3-7.1 ~9972=55, ~9972=48...(22) HG2 GLU 30 - QG2 VAL 93 far 0 63 0 - 6.0-21.2 HB3 GLU 128 - QG2 VAL 93 far 0 97 0 - 6.2-9.2 HB3 GLU 97 - QG2 VAL 93 far 0 76 0 - 6.3-8.5 HB3 GLN 127 - QG2 VAL 93 far 0 83 0 - 8.6-11.9 HG2 GLN 68 - QG2 VAL 93 far 0 65 0 - 9.1-12.0 Violated in 7 structures by 0.28 A. Peak 9972 from aliabs.peaks (2.42, 0.75, 21.32 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.74: HG3 GLU 97 + QG1 VAL 93 OK 74 81 95 97 2.3-7.0 1.8/9973=39...(21) HG2 GLN 101 - QG1 VAL 93 far 0 100 0 - 6.5-9.9 HG3 GLU 128 - QG1 VAL 93 far 0 100 0 - 8.1-11.6 Violated in 8 structures by 0.29 A. Peak 9973 from aliabs.peaks (2.24, 0.75, 21.32 ppm; 3.78 A): 3 out of 9 assignments used, quality = 0.99: HG2 GLU 97 + QG1 VAL 93 OK 93 100 95 98 2.9-6.5 1.8/9972=63...(20) HB3 LEU 96 + QG1 VAL 93 OK 84 100 85 99 3.8-6.2 9971/2.1=38...(36) HB3 GLU 97 + QG1 VAL 93 OK 30 78 40 94 4.4-8.4 2.9/9972=51...(19) HG2 GLU 30 - QG1 VAL 93 far 3 60 5 - 3.9-20.6 HB3 GLU 128 - QG1 VAL 93 far 0 97 0 - 7.2-10.0 HG2 GLN 68 - QG1 VAL 93 far 0 68 0 - 9.1-12.5 HB3 GLN 104 - QG1 VAL 93 far 0 87 0 - 9.4-16.5 HB2 GLN 68 - QG1 VAL 93 far 0 76 0 - 9.7-11.7 HB3 GLN 127 - QG1 VAL 93 far 0 85 0 - 9.9-11.6 Violated in 8 structures by 0.16 A. Peak 9974 from aliabs.peaks (1.42, 0.75, 21.32 ppm; 3.73 A): 2 out of 6 assignments used, quality = 1.00: QB ALA 92 + QG1 VAL 93 OK 98 98 100 100 3.2-5.2 9945/2.1=63, 7267/3.9=44...(31) HG LEU 96 + QG1 VAL 93 OK 75 76 100 99 2.6-4.8 3.0/9973=27...(39) QB ALA 34 - QG1 VAL 93 far 0 99 0 - 5.8-14.0 HG13 ILE 32 - QG1 VAL 93 far 0 99 0 - 6.3-16.1 HG2 LYS 86 - QG1 VAL 93 far 0 99 0 - 6.8-9.8 HG3 LYS 24 - QG1 VAL 93 far 0 65 0 - 9.8-25.7 Violated in 11 structures by 0.19 A. Peak 9986 from aliabs.peaks (2.73, 0.77, 23.66 ppm; 4.02 A): 2 out of 5 assignments used, quality = 0.99: HB2 CYS 125 + QD1 LEU 96 OK 95 100 95 100 2.5-5.7 1.8/9987=79, 10382=49...(32) HB2 CYS 73 + QD1 LEU 96 OK 86 100 100 86 2.5-5.1 11803/2.1=29, ~11693=26...(20) HB2 TYR 76 - QD1 LEU 96 far 0 57 0 - 6.6-9.7 HB3 ASP 78 - QD1 LEU 96 far 0 97 0 - 9.7-12.5 HB2 ASP 47 - QD1 LEU 96 far 0 89 0 - 9.7-14.0 Violated in 4 structures by 0.05 A. Peak 9987 from aliabs.peaks (3.21, 0.77, 23.66 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.88: HB3 CYS 125 + QD1 LEU 96 OK 88 98 90 100 3.2-5.7 10387=53, 9989/2.1=52...(28) Violated in 17 structures by 0.87 A. Peak 9989 from aliabs.peaks (3.21, 0.75, 26.12 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.99: HB3 CYS 125 + QD2 LEU 96 OK 99 99 100 100 1.9-5.4 9987/2.1=90...(30) Violated in 5 structures by 0.09 A. Peak 9991 from aliabs.peaks (3.65, 0.75, 26.12 ppm; 4.68 A): 0 out of 2 assignments used, quality = 0.00: HA2 GLY 66 - QD2 LEU 96 poor 16 73 30 72 5.2-7.9 11808/2.1=51, ~11808=18...(6) HA3 GLY 66 - QD2 LEU 96 far 8 85 10 - 5.7-7.9 Violated in 20 structures by 1.40 A. Peak 10000 from aliabs.peaks (0.82, 3.76, 59.92 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.95: QD1 LEU 70 + HA GLU 97 OK 95 96 100 100 1.8-4.3 2.1/11090=71, 11101=64...(35) QD1 LEU 122 - HA GLU 97 far 13 87 15 - 3.4-7.6 QD2 LEU 49 - HA GLU 97 far 0 65 0 - 7.1-10.5 QG2 ILE 129 - HA GLU 97 far 0 100 0 - 8.5-10.0 QG2 ILE 32 - HA GLU 97 far 0 92 0 - 9.1-15.9 Violated in 4 structures by 0.06 A. Peak 10001 from aliabs.peaks (0.60, 3.76, 59.92 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 100 + HA GLU 97 OK 100 100 100 100 2.5-4.3 10036=99, 11115/11090=65...(32) Violated in 1 structures by 0.01 A. Peak 10002 from aliabs.peaks (0.84, 2.13, 28.66 ppm; 3.71 A): 2 out of 6 assignments used, quality = 0.84: QD1 LEU 70 + HB2 GLU 97 OK 65 68 95 100 2.0-5.6 2.1/11109=52...(28) QD2 LEU 70 + HB2 GLU 97 OK 55 85 65 100 1.8-5.8 11109=56, 9486/2.9=48...(28) QD1 LEU 98 - HB2 GLU 97 far 8 81 10 - 4.7-7.2 QD2 LEU 69 - HB2 GLU 97 far 0 63 0 - 7.3-10.9 QG2 ILE 129 - HB2 GLU 97 far 0 93 0 - 8.0-9.8 QG2 ILE 32 - HB2 GLU 97 far 0 100 0 - 8.4-17.3 Violated in 7 structures by 0.04 A. Peak 10003 from aliabs.peaks (0.83, 2.22, 28.66 ppm; 3.75 A): 3 out of 21 assignments used, quality = 0.81: QD1 LEU 70 + HB3 GLU 97 OK 61 76 80 100 2.9-5.6 10000/3.0=54...(33) QD2 LEU 70 + HB3 GLU 97 OK 39 78 50 100 2.3-6.0 9486/2.9=43...(33) QG2 ILE 80 + HB2 GLN 82 OK 22 34 70 94 3.7-8.2 11310/1.8=74...(9) QD1 LEU 98 - HB3 GLU 102 poor 19 63 30 - 3.9-7.8 QD1 LEU 98 - HB3 GLU 97 far 4 73 5 - 5.1-6.7 QD1 LEU 122 - HB3 GLU 97 far 0 60 0 - 5.4-9.6 QG2 ILE 129 - HB3 GLU 128 far 0 78 0 - 5.5-6.7 HG13 ILE 80 - HB2 GLN 82 far 0 30 0 - 5.9-8.3 QG1 VAL 133 - HB2 GLN 82 far 0 47 0 - 6.1-10.8 QD2 LEU 70 - HB3 GLU 102 far 0 68 0 - 6.6-10.5 QG1 VAL 133 - HB3 GLU 128 far 0 84 0 - 6.9-8.2 QD1 LEU 70 - HB3 GLU 102 far 0 66 0 - 6.9-10.4 QD1 LEU 122 - HB3 GLU 128 far 0 45 0 - 7.4-10.6 QD1 LEU 122 - HB3 GLU 102 far 0 51 0 - 7.8-10.1 QD2 LEU 70 - HB3 GLU 128 far 0 60 0 - 7.8-11.4 QD1 LEU 70 - HB3 GLU 128 far 0 58 0 - 7.9-12.1 QG2 ILE 129 - HB2 GLN 82 far 0 43 0 - 8.8-11.9 QD2 LEU 22 - HB3 GLU 102 far 0 92 0 - 9.0-33.7 QG2 ILE 32 - HB3 GLU 97 far 0 100 0 - 9.1-17.3 QG2 ILE 129 - HB3 GLU 97 far 0 97 0 - 9.4-10.7 QG2 ILE 80 - HB3 GLU 128 far 0 64 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 10004 from aliabs.peaks (0.83, 2.24, 35.20 ppm; 3.76 A): 2 out of 6 assignments used, quality = 0.92: QD2 LEU 70 + HG2 GLU 97 OK 74 78 95 100 1.9-5.8 9486/1.8=56...(33) QD1 LEU 70 + HG2 GLU 97 OK 68 76 90 100 1.8-5.7 ~9486=50, ~9486=49...(31) QD1 LEU 98 - HG2 GLU 97 far 11 73 15 - 3.9-8.0 QD1 LEU 122 - HG2 GLU 97 far 0 60 0 - 5.8-9.5 QG2 ILE 129 - HG2 GLU 97 far 0 97 0 - 7.6-9.8 QG2 ILE 32 - HG2 GLU 97 far 0 100 0 - 8.1-17.5 Violated in 5 structures by 0.10 A. Peak 10005 from aliabs.peaks (0.83, 2.40, 35.20 ppm; 3.65 A): 2 out of 13 assignments used, quality = 0.92: QD1 LEU 70 + HG3 GLU 97 OK 76 85 90 100 1.7-6.5 2.1/9486=73, 9489=55...(29) QD2 LEU 70 + HG3 GLU 97 OK 65 68 95 100 1.8-5.4 9486=56, 2.1/9489=50...(27) QD1 LEU 98 - HG3 GLU 97 far 9 63 15 - 4.2-7.9 QD1 LEU 122 - HG3 GLU 97 far 4 71 5 - 4.8-9.6 QG2 ILE 32 - HG3 GLU 40 far 0 80 0 - 7.1-13.2 QD2 LEU 22 - HG3 GLU 40 far 0 78 0 - 7.2-29.7 QG1 VAL 133 - HG3 GLU 40 far 0 80 0 - 7.4-10.3 QG2 ILE 129 - HG3 GLU 97 far 0 99 0 - 7.5-10.2 QG2 ILE 32 - HG3 GLU 97 far 0 99 0 - 7.9-17.4 QG2 ILE 80 - HG3 GLU 97 far 0 90 0 - 9.5-15.1 QG2 ILE 80 - HG3 GLU 40 far 0 70 0 - 9.7-15.1 HG13 ILE 80 - HG3 GLU 40 far 0 64 0 - 9.7-16.4 QG2 ILE 129 - HG3 GLU 40 far 0 81 0 - 9.8-12.0 Violated in 3 structures by 0.11 A. Peak 10010 from aliabs.peaks (1.40, 2.40, 35.20 ppm; 4.93 A): 3 out of 25 assignments used, quality = 1.00: HG LEU 96 + HG3 GLU 97 OK 100 100 100 100 2.1-5.7 11461/2.9=49, ~11695=36...(35) HB2 LEU 96 + HG3 GLU 97 OK 59 78 75 100 4.8-7.2 4.4/7348=45...(34) HB3 LEU 100 + HG3 GLU 97 OK 32 60 55 97 5.0-8.7 ~10012=41, 3.2/10011=30...(21) HB2 LEU 42 - HG3 GLU 40 poor 13 43 30 - 5.7-7.7 HG3 LYS 95 - HG3 GLU 97 far 9 89 10 - 6.2-10.1 QB ALA 28 - HG3 GLU 97 far 4 87 5 - 6.4-21.9 QB ALA 16 - HG3 GLU 40 far 4 77 5 - 6.3-30.3 QB ALA 29 - HG3 GLU 97 far 4 73 5 - 5.3-17.1 HG2 LYS 24 - HG3 GLU 40 far 2 50 5 - 4.5-30.5 HG2 LYS 95 - HG3 GLU 97 far 0 93 0 - 6.7-10.6 QB ALA 15 - HG3 GLU 40 far 0 60 0 - 6.8-32.8 QB ALA 108 - HG3 GLU 97 far 0 76 0 - 6.8-18.1 QB ALA 92 - HG3 GLU 97 far 0 65 0 - 7.1-8.8 QB ALA 34 - HG3 GLU 40 far 0 75 0 - 7.2-11.2 HG2 LYS 36 - HG3 GLU 40 far 0 58 0 - 7.3-13.3 QB ALA 34 - HG3 GLU 97 far 0 96 0 - 8.3-18.8 HG3 LYS 26 - HG3 GLU 40 far 0 60 0 - 8.9-29.3 HG2 LYS 24 - HG3 GLU 97 far 0 68 0 - 9.0-33.0 QB ALA 29 - HG3 GLU 40 far 0 54 0 - 9.1-17.4 QB ALA 15 - HG3 GLU 97 far 0 81 0 - 9.1-38.6 HG2 LYS 26 - HG3 GLU 40 far 0 45 0 - 9.5-29.8 QB ALA 110 - HG3 GLU 97 far 0 83 0 - 9.8-23.1 HG3 LYS 26 - HG3 GLU 97 far 0 81 0 - 9.9-25.2 HG13 ILE 32 - HG3 GLU 97 far 0 68 0 - 9.9-21.2 QB ALA 109 - HG3 GLU 97 far 0 92 0 - 10.0-17.8 Violated in 1 structures by 0.02 A. Peak 10011 from aliabs.peaks (0.62, 2.40, 35.20 ppm; 5.59 A): 2 out of 4 assignments used, quality = 0.84: QD1 ILE 129 + HG3 GLU 97 OK 64 71 90 100 5.7-7.6 10012/1.8=84...(12) QD1 LEU 100 + HG3 GLU 97 OK 56 65 85 100 3.4-7.5 11107/9486=70...(19) QD1 LEU 42 - HG3 GLU 40 poor 12 80 35 44 5.8-9.2 10872/10930=17...(6) QD1 LEU 42 - HG3 GLU 97 far 0 99 0 - 8.4-13.1 Violated in 4 structures by 0.10 A. Peak 10012 from aliabs.peaks (0.63, 2.24, 35.20 ppm; 5.51 A): 1 out of 2 assignments used, quality = 0.64: QD1 ILE 129 + HG2 GLU 97 OK 64 81 80 99 5.8-7.4 10014/2.9=76...(15) QD1 LEU 42 - HG2 GLU 97 far 0 100 0 - 8.6-14.3 Violated in 20 structures by 0.95 A. Peak 10013 from aliabs.peaks (0.63, 2.22, 28.66 ppm; 4.94 A): 1 out of 4 assignments used, quality = 0.67: QD1 ILE 129 + HB3 GLU 128 OK 67 68 100 100 3.6-5.3 7873/4.5=55, ~11696=53...(25) QD1 ILE 129 - HB3 GLU 97 far 0 87 0 - 7.4-8.4 QD1 LEU 42 - HB3 GLU 128 far 0 85 0 - 8.5-11.6 QD1 LEU 42 - HB2 GLN 82 far 0 48 0 - 9.7-14.1 Violated in 8 structures by 0.08 A. Peak 10014 from aliabs.peaks (0.63, 2.13, 28.66 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.45: QD1 ILE 129 + HB2 GLU 97 OK 45 78 60 96 6.1-7.1 10012/2.9=63...(9) QD1 LEU 42 - HB2 GLU 97 far 0 100 0 - 8.8-12.8 Violated in 20 structures by 1.39 A. Peak 10015 from aliabs.peaks (0.29, 2.40, 35.20 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 93 + HG3 GLU 97 OK 100 100 100 100 4.6-7.4 2.1/9972=100...(18) QD1 ILE 80 - HG3 GLU 97 far 0 73 0 - 9.5-13.4 QD1 ILE 80 - HG3 GLU 40 far 0 54 0 - 9.6-13.6 Violated in 1 structures by 0.03 A. Peak 10016 from aliabs.peaks (0.30, 2.24, 35.20 ppm; 6.61 A): 1 out of 1 assignment used, quality = 0.98: QG2 VAL 93 + HG2 GLU 97 OK 98 98 100 100 4.3-7.1 ~9972=95, ~9972=91...(25) Violated in 5 structures by 0.08 A. Peak 10019 from aliabs.peaks (3.51, 1.70, 27.30 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.98: HA VAL 132 + HG2 ARG 135 OK 98 98 100 100 1.9-3.8 10527=95, 11783/1.8=81...(29) Violated in 0 structures by 0.00 A. Peak 10020 from aliabs.peaks (8.49, 1.65, 41.87 ppm; 5.15 A): 2 out of 2 assignments used, quality = 1.00: H GLU 97 + HB2 LEU 98 OK 97 98 100 99 5.6-6.1 10021/3.0=76...(11) H LEU 100 + HB2 LEU 98 OK 95 100 95 100 5.3-6.7 3.4/3166=77, ~3155=42...(31) Violated in 12 structures by 0.11 A. Peak 10021 from aliabs.peaks (8.47, 1.71, 26.70 ppm; 4.81 A): 2 out of 5 assignments used, quality = 0.90: H ASP 47 + HG LEU 48 OK 77 93 85 97 5.9-6.7 3.6/6586=76...(10) H GLU 97 + HG LEU 98 OK 57 63 100 91 4.1-6.3 3.9/3176=71...(8) H LEU 100 - HG LEU 98 poor 17 85 20 - 5.9-7.0 H ALA 12 - HG LEU 48 far 0 83 0 - 8.0-36.9 H LEU 70 - HG LEU 48 far 0 98 0 - 8.9-14.0 Violated in 6 structures by 0.14 A. Peak 10022 from aliabs.peaks (1.60, 3.76, 63.23 ppm; 4.81 A): 3 out of 5 assignments used, quality = 1.00: HB2 LEU 122 + HB2 SER 99 OK 99 99 100 100 2.0-5.0 3.1/11379=44...(36) HG LEU 122 + HB2 SER 99 OK 75 100 75 100 3.6-7.3 2.1/11379=51...(35) HB2 LEU 103 + HB2 SER 99 OK 46 76 70 87 4.5-7.4 3372/1.8=22, ~11481=19...(18) HG LEU 119 - HB2 SER 99 far 4 81 5 - 5.2-10.6 HG LEU 70 - HB2 SER 99 far 0 97 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 10023 from aliabs.peaks (1.75, 4.22, 62.42 ppm; 5.68 A): 0 out of 3 assignments used, quality = 0.00: HG LEU 100 - HA SER 99 far 12 83 15 - 7.1-7.9 HB2 ARG 23 - HA SER 99 far 0 100 0 - 8.0-36.0 HB2 LYS 24 - HA SER 99 far 0 98 0 - 8.7-33.2 Violated in 20 structures by 1.92 A. Peak 10024 from aliabs.peaks (3.64, 0.68, 23.45 ppm; 3.25 A): 4 out of 8 assignments used, quality = 0.97: HA3 GLY 66 + QD2 LEU 100 OK 67 100 75 90 1.9-5.6 10035/2.1=25...(21) HA3 GLY 66 + QD2 LEU 62 OK 61 82 100 74 2.7-4.3 2.9/9384=21...(18) HA2 GLY 66 + QD2 LEU 62 OK 59 79 100 74 3.6-4.7 2.9/9384=21...(19) HA2 GLY 66 + QD2 LEU 100 OK 48 99 55 88 3.4-6.3 10035/2.1=24...(17) HD2 PRO 58 - QD2 LEU 62 far 0 66 0 - 6.4-7.6 HD2 PRO 56 - QD2 LEU 62 far 0 60 0 - 8.7-10.4 HD3 PRO 56 - QD2 LEU 62 far 0 78 0 - 9.0-10.8 HD2 PRO 58 - QD2 LEU 100 far 0 87 0 - 9.4-13.9 Violated in 2 structures by 0.01 A. Peak 10025 from aliabs.peaks (2.23, 0.68, 23.45 ppm; 4.21 A): 2 out of 19 assignments used, quality = 0.69: HB3 GLN 104 + QD2 LEU 100 OK 59 99 80 74 2.0-6.9 11436/10974=20...(16) HB2 GLN 101 + QD2 LEU 100 OK 24 73 35 93 3.4-7.0 4.0/3264=45, ~10048=25...(16) HB3 GLU 97 - QD2 LEU 100 poor 19 97 20 - 3.0-7.9 HG2 GLU 97 - QD2 LEU 100 poor 19 95 20 - 2.7-8.2 HB3 LEU 96 - QD2 LEU 100 far 14 95 15 - 4.6-8.6 HB3 GLN 127 - QD2 LEU 62 far 0 80 0 - 5.9-10.4 HB3 GLU 102 - QD2 LEU 100 far 0 100 0 - 6.1-7.0 HB3 GLN 104 - QD2 LEU 62 far 0 81 0 - 6.2-10.3 HB2 GLN 68 - QD2 LEU 100 far 0 97 0 - 6.6-8.2 HG2 GLN 68 - QD2 LEU 100 far 0 93 0 - 6.6-8.8 HG2 GLN 68 - QD2 LEU 62 far 0 72 0 - 6.7-9.9 HB3 LEU 96 - QD2 LEU 62 far 0 74 0 - 6.9-9.7 HB2 GLN 68 - QD2 LEU 62 far 0 76 0 - 7.1-9.2 HB2 GLN 101 - QD2 LEU 62 far 0 54 0 - 8.7-11.9 HB3 GLU 102 - QD2 LEU 62 far 0 83 0 - 8.8-12.5 HB3 GLU 97 - QD2 LEU 62 far 0 78 0 - 9.1-11.7 HB3 GLU 128 - QD2 LEU 62 far 0 83 0 - 9.3-13.2 HB3 GLN 127 - QD2 LEU 100 far 0 99 0 - 9.4-12.8 HG2 GLU 97 - QD2 LEU 62 far 0 74 0 - 9.5-11.4 Violated in 11 structures by 0.47 A. Peak 10028 from aliabs.peaks (2.20, 3.96, 57.71 ppm; 5.36 A): 5 out of 5 assignments used, quality = 1.00: HB2 GLN 101 + HA LEU 100 OK 100 100 100 100 5.7-6.6 3286/3.6=87...(19) HB2 GLN 104 + HA LEU 100 OK 84 95 100 89 4.2-6.8 7493/7481=66...(11) HB3 GLU 102 + HA LEU 100 OK 63 65 100 97 5.4-6.8 3.8/7445=61, 4.6/7463=54...(14) HB3 GLU 97 + HA LEU 100 OK 39 87 45 100 6.3-8.4 ~3115=51, 7417/3.6=42...(33) HB3 GLN 104 + HA LEU 100 OK 38 78 55 89 3.2-8.0 3.9/7481=62...(12) Violated in 0 structures by 0.00 A. Peak 10029 from aliabs.peaks (2.22, 1.82, 41.28 ppm; 5.47 A): 5 out of 8 assignments used, quality = 1.00: HB3 GLU 97 + HB2 LEU 100 OK 100 100 100 100 4.2-6.5 3.0/3115=92, ~10036=52...(37) HB2 GLN 101 + HB2 LEU 100 OK 90 90 100 100 4.1-6.5 3286/4.6=64, ~10048=59...(20) HG2 GLU 97 + HB2 LEU 100 OK 80 81 100 100 3.9-6.4 3.8/3115=83...(22) HB3 LEU 96 + HB2 LEU 100 OK 80 81 100 99 4.1-6.7 ~11918=45, 4.4/3232=36...(39) HB3 GLN 104 + HB2 LEU 100 OK 24 100 25 94 3.9-9.6 10025/3.2=60, ~11445=28...(14) HB3 GLU 102 - HB2 LEU 100 poor 14 99 25 58 6.7-8.6 2130/3.0=16, 3126/3.9=16...(9) HG2 GLN 68 - HB2 LEU 100 far 0 99 0 - 9.0-11.7 HB2 GLN 68 - HB2 LEU 100 far 0 100 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 10030 from aliabs.peaks (2.21, 0.60, 25.59 ppm; 4.29 A): 5 out of 10 assignments used, quality = 0.99: HB3 GLU 97 + QD1 LEU 100 OK 84 99 85 100 4.1-6.5 3.0/10036=68...(29) HB2 GLN 101 + QD1 LEU 100 OK 77 99 80 97 3.4-6.4 3286/7415=46, ~10048=26...(25) HB2 GLN 104 + QD1 LEU 100 OK 62 71 100 88 1.9-5.7 ~10025=38, ~10025=35...(12) HB3 GLN 104 + QD1 LEU 100 OK 51 97 65 81 1.9-7.0 10025/2.1=43...(10) HG2 GLU 97 + QD1 LEU 100 OK 22 60 40 93 3.7-7.2 3.8/10036=58...(18) HB3 LEU 96 - QD1 LEU 100 poor 20 60 35 95 3.9-7.8 3.0/11918=53...(33) HG2 GLN 68 - QD1 LEU 100 far 0 100 0 - 5.9-7.5 HB2 GLN 68 - QD1 LEU 100 far 0 100 0 - 6.0-7.1 HB3 GLU 102 - QD1 LEU 100 far 0 92 0 - 6.1-8.8 HB3 GLN 127 - QD1 LEU 100 far 0 98 0 - 9.0-13.0 Violated in 3 structures by 0.03 A. Peak 10032 from aliabs.peaks (0.84, 0.68, 23.19 ppm; 3.17 A): 3 out of 15 assignments used, quality = 0.90: QG2 VAL 57 + QD2 LEU 62 OK 69 83 85 98 3.3-5.0 9319=71, 9316/2.1=42...(14) QD2 LEU 70 + QD2 LEU 100 OK 44 62 75 93 1.7-5.6 11115/2.1=41, ~9487=26...(31) QD1 LEU 70 + QD2 LEU 100 OK 43 52 90 92 1.9-5.9 ~11115=31, 9487/2.1=29...(28) QD2 LEU 69 - QD2 LEU 62 far 3 60 5 - 4.3-8.5 QD2 LEU 69 - QD2 LEU 100 far 0 43 0 - 4.9-8.8 QD1 LEU 70 - QD2 LEU 62 far 0 71 0 - 4.9-8.4 QD2 LEU 70 - QD2 LEU 62 far 0 83 0 - 5.0-8.1 QD1 LEU 98 - QD2 LEU 100 far 0 58 0 - 5.8-8.9 QG2 ILE 32 - QD2 LEU 100 far 0 83 0 - 6.2-12.8 QG2 VAL 57 - QD2 LEU 100 far 0 62 0 - 6.4-10.6 QG2 ILE 32 - QD2 LEU 62 far 0 100 0 - 7.9-11.9 QG2 ILE 129 - QD2 LEU 100 far 0 74 0 - 8.6-10.8 QD2 LEU 22 - QD2 LEU 62 far 0 100 0 - 9.1-21.1 QD1 LEU 98 - QD2 LEU 62 far 0 78 0 - 9.2-11.9 QG2 ILE 129 - QD2 LEU 62 far 0 95 0 - 9.2-11.1 Violated in 10 structures by 0.11 A. Peak 10033 from aliabs.peaks (2.41, 0.68, 23.45 ppm; 4.90 A): 3 out of 8 assignments used, quality = 0.91: HG3 GLN 61 + QD2 LEU 62 OK 74 81 95 97 4.0-7.4 10936/9319=75...(9) HG3 GLU 97 + QD2 LEU 100 OK 50 96 55 95 3.4-8.9 ~10012=49, 10011/2.1=32...(19) HG2 GLN 101 + QD2 LEU 100 OK 31 93 35 93 4.1-7.4 3305/3264=57, ~10053=43...(12) HG3 GLN 61 - QD2 LEU 100 far 0 99 0 - 6.9-11.6 HB3 PRO 58 - QD2 LEU 62 far 0 82 0 - 7.9-9.0 HG3 GLU 97 - QD2 LEU 62 far 0 75 0 - 8.7-11.9 HG2 GLN 101 - QD2 LEU 62 far 0 72 0 - 9.0-12.4 HB3 PRO 58 - QD2 LEU 100 far 0 100 0 - 9.8-13.7 Violated in 4 structures by 0.08 A. Peak 10034 from aliabs.peaks (3.36, 0.60, 25.59 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 63 + QD1 LEU 100 OK 100 100 100 100 2.5-4.2 10958=67, 3.2/10973=56...(30) HB2 HIS 67 + QD1 LEU 100 OK 78 81 100 97 1.9-4.7 3.0/10037=59...(15) HB3 TYR 72 - QD1 LEU 100 far 0 76 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 10035 from aliabs.peaks (3.64, 0.60, 25.59 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 66 + QD1 LEU 100 OK 98 100 100 98 2.1-4.3 3.6/11037=41...(23) HA2 GLY 66 + QD1 LEU 100 OK 96 99 100 98 3.1-5.3 3.6/11037=41...(21) Violated in 4 structures by 0.03 A. Peak 10036 from aliabs.peaks (3.75, 0.60, 25.59 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 97 + QD1 LEU 100 OK 99 99 100 100 2.5-4.3 10001=83, 11090/11115=56...(32) HB2 SER 99 - QD1 LEU 100 far 0 100 0 - 5.7-7.2 Violated in 7 structures by 0.06 A. Peak 10037 from aliabs.peaks (4.21, 0.60, 25.59 ppm; 4.25 A): 1 out of 6 assignments used, quality = 1.00: HA HIS 67 + QD1 LEU 100 OK 100 100 100 100 1.8-2.6 9463=91, 11089/11115=62...(21) HA GLU 30 - QD1 LEU 100 far 0 100 0 - 6.0-13.4 HA SER 99 - QD1 LEU 100 far 0 93 0 - 6.2-7.1 HA ALA 29 - QD1 LEU 100 far 0 89 0 - 6.3-13.0 HA SER 94 - QD1 LEU 100 far 0 63 0 - 8.0-9.6 HA ALA 34 - QD1 LEU 100 far 0 100 0 - 9.0-16.5 Violated in 0 structures by 0.00 A. Peak 10038 from aliabs.peaks (4.18, 0.68, 23.45 ppm; 3.67 A): 2 out of 11 assignments used, quality = 0.94: HA HIS 67 + QD2 LEU 100 OK 76 81 100 95 2.8-5.0 9463/2.1=37...(19) HA LEU 53 + QD2 LEU 62 OK 75 80 95 98 2.8-5.6 9252=73, 1679/10338=55...(16) HA LEU 53 - QD2 LEU 100 far 0 99 0 - 5.3-12.3 HA HIS 67 - QD2 LEU 62 far 0 60 0 - 5.9-7.7 HA VAL 105 - QD2 LEU 100 far 0 98 0 - 6.0-9.1 HA GLU 30 - QD2 LEU 100 far 0 60 0 - 7.3-14.9 HB THR 25 - QD2 LEU 62 far 0 82 0 - 7.5-18.1 HA GLU 30 - QD2 LEU 62 far 0 43 0 - 7.6-15.7 HB THR 25 - QD2 LEU 100 far 0 100 0 - 8.2-20.4 HB THR 18 - QD2 LEU 62 far 0 82 0 - 9.8-31.9 HA VAL 105 - QD2 LEU 62 far 0 79 0 - 9.8-13.2 Violated in 9 structures by 0.13 A. Peak 10039 from aliabs.peaks (3.78, 3.96, 57.71 ppm; 5.03 A): 3 out of 3 assignments used, quality = 0.99: HA GLU 97 + HA LEU 100 OK 90 90 100 100 4.8-6.3 3115/3.0=72...(28) HB2 SER 99 + HA LEU 100 OK 87 89 100 98 3.8-5.6 ~7395=58, ~3219=56...(15) HA VAL 118 + HA LEU 100 OK 59 63 95 99 4.2-9.6 ~10262=45, ~10262=43...(16) Violated in 0 structures by 0.00 A. Peak 10043 from aliabs.peaks (8.29, 0.60, 25.59 ppm; 4.87 A): 2 out of 9 assignments used, quality = 1.00: H LEU 69 + QD1 LEU 100 OK 98 99 100 99 5.1-6.2 3.7/11493=70...(8) H SER 99 + QD1 LEU 100 OK 95 100 95 100 5.2-6.4 3.4/7401=73, ~3257=51...(24) H LEU 123 - QD1 LEU 100 poor 18 73 25 - 5.0-7.9 H VAL 126 - QD1 LEU 100 far 14 96 15 - 5.6-8.3 H TYR 72 - QD1 LEU 100 far 0 57 0 - 6.4-8.2 H LEU 96 - QD1 LEU 100 far 0 90 0 - 6.5-8.1 H GLU 30 - QD1 LEU 100 far 0 73 0 - 6.9-13.9 H LEU 49 - QD1 LEU 100 far 0 98 0 - 8.1-12.3 H ALA 110 - QD1 LEU 100 far 0 73 0 - 8.6-13.9 Violated in 19 structures by 0.29 A. Peak 10044 from aliabs.peaks (7.15, 0.60, 25.59 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.98: HD2 HIS 67 + QD1 LEU 100 OK 98 99 100 100 1.9-5.0 9472=74, 11485/2.1=71...(11) QD TYR 72 - QD1 LEU 100 far 0 87 0 - 7.5-8.7 Violated in 3 structures by 0.04 A. Peak 10048 from aliabs.peaks (1.39, 4.11, 58.80 ppm; 4.81 A): 2 out of 19 assignments used, quality = 0.94: HB3 LEU 100 + HA GLN 101 OK 92 92 100 100 5.4-5.6 7412/2.9=49...(28) HG2 LYS 86 + HA ILE 80 OK 30 33 90 99 4.5-6.7 9713/3.0=58, ~11167=41...(26) QB ALA 29 - HA GLN 101 poor 19 97 20 - 5.4-15.1 HG2 LYS 86 - HA CYS 79 far 5 54 10 - 5.5-8.0 QB ALA 108 - HA GLN 101 far 5 98 5 - 6.1-11.7 QB ALA 12 - HA CYS 79 far 2 45 5 - 4.7-37.1 QB ALA 34 - HA ILE 80 far 2 32 5 - 6.0-15.6 HG3 LYS 26 - HA GLN 101 far 0 99 0 - 6.6-26.0 HG LEU 96 - HA GLN 101 far 0 98 0 - 6.9-9.5 QB ALA 34 - HA CYS 79 far 0 51 0 - 6.9-15.8 QB ALA 109 - HA GLN 101 far 0 100 0 - 6.9-14.1 HB2 LEU 42 - HA ILE 80 far 0 47 0 - 7.2-10.6 QB ALA 12 - HA ILE 80 far 0 27 0 - 7.6-35.7 QB ALA 28 - HA GLN 101 far 0 100 0 - 7.6-18.9 QB ALA 15 - HA GLN 101 far 0 99 0 - 8.1-34.5 HB2 LEU 96 - HA GLN 101 far 0 99 0 - 8.2-9.9 QB ALA 16 - HA CYS 79 far 0 85 0 - 8.5-36.9 QB ALA 110 - HA GLN 101 far 0 99 0 - 8.5-17.1 HG2 LYS 19 - HA CYS 79 far 0 68 0 - 9.3-40.8 Violated in 14 structures by 0.22 A. Peak 10049 from aliabs.peaks (0.88, 2.30, 27.78 ppm; 4.40 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 98 + HB3 GLN 101 OK 100 100 100 100 3.9-5.3 4.0/3157=57...(23) QD2 LEU 70 + HB3 GLN 101 OK 50 73 75 91 2.5-8.2 11400/3.0=34...(21) QD1 LEU 98 - HB3 GLN 101 far 0 78 0 - 6.0-6.9 QG1 VAL 118 - HB3 GLN 101 far 0 96 0 - 6.4-7.8 QG2 VAL 63 - HB3 GLN 101 far 0 60 0 - 7.4-9.5 QD2 LEU 69 - HB3 GLN 101 far 0 92 0 - 8.6-12.7 QG2 VAL 20 - HB3 GLN 101 far 0 96 0 - 8.9-29.0 QD2 LEU 123 - HB3 GLN 101 far 0 100 0 - 9.4-13.4 Violated in 3 structures by 0.06 A. Peak 10050 from aliabs.peaks (1.22, 2.21, 27.78 ppm; 4.43 A): 0 out of 2 assignments used, quality = 0.00: QG2 THR 54 - HB3 GLN 127 far 3 53 5 - 4.9-9.9 QG2 THR 65 - HB3 GLN 127 far 0 67 0 - 6.0-10.0 Violated in 20 structures by 2.62 A. Peak 10051 from aliabs.peaks (1.78, 2.55, 33.53 ppm; 5.06 A): 2 out of 5 assignments used, quality = 1.00: HB3 LEU 98 + HG3 GLN 101 OK 99 99 100 100 4.5-5.3 1.8/10052=63...(40) HB3 LEU 103 + HG3 GLN 101 OK 54 90 80 74 5.5-7.2 11410/7451=26...(11) HG LEU 100 - HG3 GLN 101 far 15 100 15 - 5.9-7.8 HB3 LEU 122 - HG3 GLN 101 far 14 95 15 - 6.3-9.5 HB2 ARG 23 - HG3 GLN 101 far 4 71 5 - 6.2-33.8 Violated in 1 structures by 0.00 A. Peak 10052 from aliabs.peaks (1.61, 2.55, 33.53 ppm; 6.01 A): 1 out of 4 assignments used, quality = 0.24: HG LEU 70 + HG3 GLN 101 OK 24 100 25 96 5.7-9.2 ~9489=36, ~9489=25...(21) HB2 LEU 122 - HG3 GLN 101 poor 18 100 35 53 7.0-8.8 390/10269=21...(8) HG LEU 122 - HG3 GLN 101 poor 13 100 25 54 7.0-10.6 2.1/11409=14...(12) HG3 ARG 23 - HG3 GLN 101 far 5 97 5 - 7.4-35.6 Violated in 19 structures by 1.80 A. Peak 10053 from aliabs.peaks (1.38, 2.55, 33.53 ppm; 5.27 A): 1 out of 14 assignments used, quality = 0.95: HB3 LEU 100 + HG3 GLN 101 OK 95 100 95 100 6.0-6.8 4.6/3314=73...(25) QB ALA 108 - HG3 GLN 101 far 15 100 15 - 5.0-14.7 QB ALA 29 - HG3 GLN 101 far 5 100 5 - 5.9-17.3 HG LEU 96 - HG3 GLN 101 far 0 81 0 - 7.1-9.5 QB ALA 110 - HG3 GLN 101 far 0 99 0 - 7.7-18.3 HG3 LYS 26 - HG3 GLN 101 far 0 100 0 - 7.7-27.8 HB2 LEU 96 - HG3 GLN 101 far 0 100 0 - 8.2-9.7 HG3 LYS 95 - HG3 GLN 101 far 0 98 0 - 8.2-11.5 QB ALA 28 - HG3 GLN 101 far 0 99 0 - 8.5-21.0 QB ALA 109 - HG3 GLN 101 far 0 97 0 - 8.8-16.8 QB ALA 21 - HG3 GLN 101 far 0 57 0 - 9.2-33.2 HG2 LYS 24 - HG3 GLN 101 far 0 100 0 - 9.4-33.4 HG2 LYS 95 - HG3 GLN 101 far 0 96 0 - 9.6-11.1 QB ALA 15 - HG3 GLN 101 far 0 100 0 - 9.8-37.0 Violated in 20 structures by 1.11 A. Peak 10054 from aliabs.peaks (0.99, 2.55, 33.53 ppm; 4.19 A): 1 out of 5 assignments used, quality = 0.38: QG2 VAL 105 + HG3 GLN 101 OK 38 89 45 94 4.8-9.1 ~11503=48, 11451/7439=39...(13) QG2 VAL 118 - HG3 GLN 101 far 14 96 15 - 5.4-7.8 QD1 LEU 69 - HG3 GLN 101 far 0 89 0 - 8.0-13.8 QG2 VAL 126 - HG3 GLN 101 far 0 60 0 - 8.3-11.8 QD2 LEU 53 - HG3 GLN 101 far 0 71 0 - 9.3-16.6 Violated in 20 structures by 2.20 A. Peak 10055 from aliabs.peaks (0.87, 2.55, 33.53 ppm; 3.94 A): 2 out of 7 assignments used, quality = 0.99: QD2 LEU 98 + HG3 GLN 101 OK 97 98 100 99 2.7-4.9 10057/3.5=36, ~10056=35...(19) QD1 LEU 98 + HG3 GLN 101 OK 72 93 80 97 4.4-6.2 3.1/10052=30...(17) QD2 LEU 70 - HG3 GLN 101 poor 19 90 25 83 4.5-7.8 11400/3278=22, ~9489=19...(18) QG1 VAL 118 - HG3 GLN 101 far 0 83 0 - 5.6-7.8 QG2 VAL 20 - HG3 GLN 101 far 0 83 0 - 6.8-31.1 QD2 LEU 69 - HG3 GLN 101 far 0 99 0 - 9.6-13.1 QD2 LEU 123 - HG3 GLN 101 far 0 98 0 - 10.0-12.5 Violated in 8 structures by 0.09 A. Peak 10056 from aliabs.peaks (0.85, 2.43, 33.53 ppm; 4.18 A): 2 out of 6 assignments used, quality = 0.78: QD1 LEU 98 + HG2 GLN 101 OK 72 97 75 99 4.5-6.2 3185/3306=35...(18) QD2 LEU 70 + HG2 GLN 101 OK 21 99 25 85 4.3-8.9 2.1/9489=30...(18) QG1 VAL 133 - HG2 GLN 82 far 0 95 0 - 6.2-12.6 QG1 VAL 133 - HG3 GLN 82 far 0 90 0 - 7.1-12.5 QG2 ILE 129 - HG2 GLN 82 far 0 68 0 - 8.2-13.7 QG2 ILE 129 - HG3 GLN 82 far 0 63 0 - 8.4-13.5 Violated in 18 structures by 0.80 A. Peak 10069 from aliabs.peaks (2.07, 0.78, 24.12 ppm; 3.50 A): 1 out of 10 assignments used, quality = 0.94: HB VAL 118 + QD1 LEU 103 OK 94 100 95 99 1.9-8.0 11611=61, 2.1/10265=42...(33) HG3 PRO 113 - QD1 LEU 103 far 10 97 10 - 2.7-11.4 HG2 PRO 117 - QD1 LEU 103 far 9 89 10 - 3.5-11.7 HB2 LEU 62 - QD1 LEU 103 far 5 97 5 - 5.0-8.5 HG3 PRO 117 - QD1 LEU 103 far 4 89 5 - 4.6-12.7 HB2 GLU 102 - QD1 LEU 103 far 0 95 0 - 5.7-6.7 HB3 GLN 27 - QD1 LEU 103 far 0 100 0 - 7.0-20.3 HB VAL 57 - QD1 LEU 103 far 0 81 0 - 7.5-11.0 HG3 PRO 58 - QD1 LEU 103 far 0 100 0 - 8.1-10.1 HB2 GLN 61 - QD1 LEU 103 far 0 60 0 - 9.5-11.6 Violated in 13 structures by 0.48 A. Peak 10081 from aliabs.peaks (1.38, 4.18, 62.53 ppm; 5.24 A): 0 out of 12 assignments used, quality = 0.00: QB ALA 109 - HA VAL 105 poor 20 99 20 - 4.9-10.7 QB ALA 28 - HA VAL 105 far 15 100 15 - 5.7-22.3 QB ALA 29 - HA VAL 105 far 10 100 10 - 3.3-20.1 QB ALA 108 - HA VAL 105 far 10 100 10 - 6.7-9.5 HG3 LYS 26 - HA VAL 105 far 5 100 5 - 4.8-28.6 QB ALA 15 - HA VAL 105 far 5 100 5 - 5.8-40.8 QB ALA 110 - HA VAL 105 far 5 100 5 - 5.9-13.6 QB ALA 16 - HA VAL 105 far 5 97 5 - 6.1-37.8 QB ALA 12 - HA VAL 105 far 4 78 5 - 6.3-42.1 HB3 LEU 100 - HA VAL 105 far 0 99 0 - 8.4-11.9 HG3 LYS 31 - HA VAL 105 far 0 100 0 - 9.0-27.5 HG2 LYS 24 - HA VAL 105 far 0 100 0 - 9.4-37.1 Violated in 14 structures by 0.91 A. Peak 10082 from aliabs.peaks (1.40, 2.27, 31.70 ppm; 4.63 A): 0 out of 21 assignments used, quality = 0.00: QB ALA 109 - HB VAL 105 far 14 95 15 - 4.7-11.5 QB ALA 92 - HB VAL 132 poor 13 29 45 - 5.0-7.0 QB ALA 109 - HB3 PRO 113 far 9 87 10 - 4.9-11.5 QB ALA 108 - HB VAL 105 far 8 81 10 - 5.0-8.9 QB ALA 29 - HB VAL 105 far 8 78 10 - 5.0-21.0 QB ALA 16 - HB VAL 105 far 5 98 5 - 5.5-38.9 QB ALA 15 - HB3 PRO 113 far 4 77 5 - 4.9-39.7 HG3 LYS 26 - HB VAL 105 far 0 85 0 - 6.4-29.8 QB ALA 28 - HB VAL 105 far 0 90 0 - 6.6-23.8 QB ALA 15 - HB VAL 105 far 0 85 0 - 6.6-41.4 QB ALA 110 - HB3 PRO 113 far 0 79 0 - 6.8-10.3 QB ALA 110 - HB VAL 105 far 0 87 0 - 6.8-13.9 HG2 LYS 86 - HB VAL 132 far 0 51 0 - 7.3-10.0 QB ALA 108 - HB3 PRO 113 far 0 72 0 - 7.4-14.8 QB ALA 16 - HB3 PRO 113 far 0 91 0 - 7.6-39.5 HB3 LEU 100 - HB3 PRO 113 far 0 58 0 - 8.1-17.9 HB2 LEU 42 - HB VAL 132 far 0 32 0 - 8.9-13.0 HG2 LYS 19 - HB3 PRO 113 far 0 50 0 - 9.7-44.0 HB3 LEU 100 - HB VAL 105 far 0 65 0 - 9.8-12.2 QB ALA 34 - HB VAL 132 far 0 50 0 - 9.8-18.5 HB2 LEU 96 - HB VAL 132 far 0 42 0 - 9.8-13.3 Violated in 14 structures by 0.49 A. Peak 10083 from aliabs.peaks (2.53, 1.01, 20.08 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.65: HG3 GLU 102 + QG2 VAL 105 OK 52 81 65 99 3.4-9.4 1.8/11413=72, 11506=69...(9) HG3 GLN 101 + QG2 VAL 105 OK 27 71 40 94 4.8-9.1 ~11503=44, 3.5/11451=43...(13) HG3 MET 11 - QG2 VAL 105 far 0 85 0 - 7.5-46.4 Violated in 15 structures by 1.28 A. Peak 10084 from aliabs.peaks (1.40, 1.01, 20.08 ppm; 4.97 A): 1 out of 12 assignments used, quality = 0.50: QB ALA 108 + QG2 VAL 105 OK 50 83 70 87 3.0-6.9 11532/11466=40...(11) QB ALA 29 - QG2 VAL 105 poor 16 81 20 - 5.2-16.0 QB ALA 28 - QG2 VAL 105 far 14 92 15 - 5.7-18.7 QB ALA 109 - QG2 VAL 105 poor 12 96 35 37 2.4-9.2 11532/11466=19...(7) QB ALA 16 - QG2 VAL 105 far 5 99 5 - 6.2-31.0 HG3 LYS 26 - QG2 VAL 105 far 4 87 5 - 6.4-23.3 QB ALA 110 - QG2 VAL 105 lone 1 89 35 2 5.2-10.8 QB ALA 15 - QG2 VAL 105 far 0 87 0 - 6.5-32.9 HB3 LEU 100 - QG2 VAL 105 far 0 68 0 - 6.8-9.5 HG3 LYS 31 - QG2 VAL 105 far 0 93 0 - 8.8-23.0 HG LEU 96 - QG2 VAL 105 far 0 100 0 - 9.7-12.9 HG13 ILE 32 - QG2 VAL 105 far 0 60 0 - 10.0-19.3 Violated in 14 structures by 0.94 A. Peak 10085 from aliabs.peaks (2.38, 0.95, 20.99 ppm; 3.68 A): 2 out of 10 assignments used, quality = 0.76: HG2 GLN 104 + QG1 VAL 105 OK 56 100 60 93 2.6-6.5 11457/2.1=63...(8) HG3 GLN 61 + QG1 VAL 57 OK 45 45 100 100 2.9-4.4 1.8/9377=61, 10937=49...(27) HG3 GLU 55 - QG1 VAL 57 poor 12 60 20 - 2.7-6.4 HG2 GLN 104 - QG1 VAL 112 far 3 70 5 - 4.8-16.4 HB2 PRO 117 - QG1 VAL 112 far 2 36 5 - 4.9-11.7 HB3 PRO 58 - QG1 VAL 57 far 0 42 0 - 5.2-6.1 HB3 PRO 58 - QG1 VAL 112 far 0 45 0 - 5.8-13.6 HG3 GLU 97 - QG1 VAL 105 far 0 90 0 - 6.6-12.1 HG3 GLN 61 - QG1 VAL 112 far 0 49 0 - 7.4-14.8 HG3 GLU 55 - QG1 VAL 112 far 0 64 0 - 9.4-16.1 Violated in 5 structures by 0.06 A. Peak 10086 from aliabs.peaks (4.04, 1.01, 20.08 ppm; 3.08 A): 2 out of 4 assignments used, quality = 0.75: HA GLU 102 + QG2 VAL 105 OK 68 100 70 98 1.9-6.8 11508=62, 3465/2.1=39...(14) HA LEU 103 + QG2 VAL 105 OK 21 60 70 50 2.4-7.3 3.6/10070=21...(7) HA LEU 119 - QG2 VAL 105 far 0 87 0 - 9.2-12.4 HA LEU 96 - QG2 VAL 105 far 0 97 0 - 9.9-13.0 Violated in 6 structures by 0.80 A. Peak 10090 from aliabs.peaks (3.95, 0.95, 20.99 ppm; 5.00 A): 4 out of 28 assignments used, quality = 0.99: HB2 SER 106 + QG1 VAL 105 OK 84 89 95 100 4.6-6.6 3.0/11534=75...(22) HA3 GLY 111 + QG1 VAL 112 OK 70 70 100 100 4.7-6.0 3.6/7589=74, ~10661=74...(14) HD3 PRO 113 + QG1 VAL 112 OK 63 63 100 100 2.8-3.4 4.4=100 HA2 GLY 111 + QG1 VAL 112 OK 55 55 100 99 4.8-5.9 3.6/7589=74, 4.8/3550=64...(13) HB3 SER 107 - QG1 VAL 105 far 15 97 15 - 6.2-8.4 HA2 GLY 17 - QG1 VAL 57 far 10 67 15 - 2.6-32.0 HA3 GLY 17 - QG1 VAL 57 far 10 64 15 - 2.0-30.9 HA LEU 100 - QG1 VAL 105 far 9 92 10 - 6.1-8.8 HD3 PRO 117 - QG1 VAL 112 far 7 71 10 - 5.3-10.2 HB2 SER 51 - QG1 VAL 57 far 3 64 5 - 6.1-9.0 HD3 PRO 113 - QG1 VAL 57 far 3 59 5 - 5.3-15.2 HA3 GLY 14 - QG1 VAL 57 far 2 31 5 - 5.8-31.9 HA2 GLY 111 - QG1 VAL 57 far 0 52 0 - 6.6-17.1 HB3 SER 107 - QG1 VAL 112 far 0 66 0 - 6.8-15.1 HA3 GLY 111 - QG1 VAL 105 far 0 100 0 - 6.8-16.0 HA2 GLY 111 - QG1 VAL 105 far 0 87 0 - 6.9-14.9 HA3 GLY 14 - QG1 VAL 112 far 0 34 0 - 7.1-40.7 HA3 GLY 14 - QG1 VAL 105 far 0 57 0 - 7.7-38.0 HA2 GLY 17 - QG1 VAL 105 far 0 100 0 - 7.7-38.7 HA3 GLY 111 - QG1 VAL 57 far 0 66 0 - 7.9-17.7 HA3 GLY 17 - QG1 VAL 112 far 0 68 0 - 8.0-40.8 HA LEU 100 - QG1 VAL 112 far 0 60 0 - 8.0-14.5 HA3 GLY 17 - QG1 VAL 105 far 0 99 0 - 8.1-37.2 HA THR 65 - QG1 VAL 57 far 0 47 0 - 8.2-10.3 HD3 PRO 113 - QG1 VAL 105 far 0 95 0 - 8.2-17.5 HB2 SER 106 - QG1 VAL 112 far 0 57 0 - 8.3-14.0 HD3 PRO 117 - QG1 VAL 105 far 0 100 0 - 9.0-16.1 HA2 GLY 17 - QG1 VAL 112 far 0 71 0 - 9.1-42.1 Violated in 0 structures by 0.00 A. Peak 10093 from aliabs.peaks (2.26, 4.46, 58.66 ppm; 5.36 A): 1 out of 5 assignments used, quality = 0.99: HB VAL 105 + HA SER 106 OK 99 99 100 100 4.0-4.6 2.1/11466=98...(18) HB3 GLU 102 - HA SER 106 poor 15 60 45 54 5.7-10.4 ~11781=33...(8) HG2 GLU 30 - HA SER 106 far 5 95 5 - 5.8-28.8 HB3 PRO 113 - HA SER 106 far 5 90 5 - 6.3-20.2 HG2 GLU 97 - HA SER 106 far 0 92 0 - 6.9-17.0 Violated in 0 structures by 0.00 A. Peak 10094 from aliabs.peaks (1.39, 3.98, 63.90 ppm; 6.80 A): 4 out of 25 assignments used, quality = 1.00: QB ALA 108 + HB3 SER 106 OK 98 99 100 100 2.6-7.4 10101/4.5=74...(13) QB ALA 108 + HB2 SER 106 OK 80 80 100 100 4.0-7.7 10101/4.5=74...(14) QB ALA 109 + HB3 SER 106 OK 64 100 90 71 4.1-9.0 11532/3.0=32...(10) QB ALA 109 + HB2 SER 106 OK 49 84 85 69 4.4-9.3 11532/3.0=32, ~11461=16...(11) QB ALA 29 - HB3 SER 106 poor 20 98 20 - 5.1-21.9 QB ALA 29 - HB2 SER 106 poor 16 80 20 - 5.5-21.8 QB ALA 28 - HB2 SER 106 far 13 83 15 - 4.0-24.5 QB ALA 15 - HB3 SER 106 far 10 99 10 - 5.9-42.8 QB ALA 15 - HB2 SER 106 far 8 82 10 - 5.8-42.5 QB ALA 12 - HB3 SER 106 far 6 63 10 - 6.7-44.4 QB ALA 16 - HB3 SER 106 far 5 100 5 - 5.1-39.5 HG3 LYS 31 - HB3 SER 106 far 5 100 5 - 6.6-30.6 HG3 LYS 31 - HB2 SER 106 far 4 84 5 - 8.1-30.4 QB ALA 16 - HB2 SER 106 far 4 83 5 - 6.2-40.0 QB ALA 110 - HB3 SER 106 lone 3 100 60 5 2.4-11.2 11794/3.0=2 QB ALA 12 - HB2 SER 106 far 2 46 5 - 7.0-44.2 QB ALA 110 - HB2 SER 106 lone 2 83 45 5 3.1-11.8 11794/3.0=2 QB ALA 28 - HB3 SER 106 lone 1 100 25 3 4.2-24.7 HG3 LYS 26 - HB3 SER 106 far 0 99 0 - 8.9-31.4 HB3 LEU 100 - HB2 SER 106 far 0 73 0 - 9.1-12.1 HG2 LYS 24 - HB2 SER 106 far 0 77 0 - 9.5-39.5 HG2 LYS 19 - HB3 SER 106 far 0 89 0 - 9.6-50.2 HG2 LYS 19 - HB2 SER 106 far 0 69 0 - 9.8-50.1 HB3 LEU 100 - HB3 SER 106 far 0 93 0 - 9.8-12.6 HG LEU 96 - HB2 SER 106 far 0 78 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 10095 from aliabs.peaks (0.98, 3.98, 63.90 ppm; 6.05 A): 2 out of 8 assignments used, quality = 0.86: QG1 VAL 105 + HB3 SER 106 OK 71 71 100 100 4.6-6.7 ~11466=76, ~11530=75...(21) QG1 VAL 105 + HB2 SER 106 OK 53 53 100 100 4.6-6.6 ~11466=76, ~11530=75...(20) QG2 VAL 118 - HB2 SER 106 poor 18 53 35 - 6.3-11.8 QG2 VAL 118 - HB3 SER 106 lone 3 71 30 14 6.7-12.3 10265/10096=9, 10113/3502=2 QG1 VAL 112 - HB2 SER 106 far 0 75 0 - 8.3-14.0 QG1 VAL 112 - HB3 SER 106 far 0 95 0 - 8.4-13.6 QD2 LEU 53 - HB2 SER 106 far 0 76 0 - 9.0-20.2 QD2 LEU 53 - HB3 SER 106 far 0 96 0 - 9.6-20.6 Violated in 0 structures by 0.00 A. Peak 10096 from aliabs.peaks (0.79, 3.98, 63.90 ppm; 6.27 A): 4 out of 18 assignments used, quality = 0.96: QD1 LEU 103 + HB3 SER 106 OK 69 98 80 88 3.6-10.4 11469/4.0=41...(15) QG1 VAL 63 + HB3 SER 106 OK 56 99 60 94 4.6-10.4 2.1/11854=56, ~11854=39...(11) QD1 LEU 103 + HB2 SER 106 OK 55 80 80 86 3.8-10.0 11469/4.0=41...(14) QG1 VAL 63 + HB2 SER 106 OK 42 80 55 94 4.1-10.3 ~11854=50, 2.1/11854=44...(12) QD1 LEU 70 - HB2 SER 106 far 6 59 10 - 6.8-12.8 QD2 LEU 122 - HB3 SER 106 far 5 100 5 - 7.3-12.9 QD2 LEU 119 - HB2 SER 106 far 4 84 5 - 7.6-14.8 QD2 LEU 122 - HB2 SER 106 far 4 83 5 - 7.3-12.5 QD1 LEU 70 - HB3 SER 106 far 4 78 5 - 7.7-13.3 QD1 ILE 32 - HB3 SER 106 far 0 78 0 - 7.8-21.1 QD1 ILE 32 - HB2 SER 106 far 0 59 0 - 7.8-20.8 QD2 LEU 119 - HB3 SER 106 far 0 100 0 - 8.2-14.7 QD1 LEU 122 - HB2 SER 106 far 0 70 0 - 8.9-12.9 QD1 LEU 96 - HB2 SER 106 far 0 69 0 - 9.0-15.3 QD1 LEU 122 - HB3 SER 106 far 0 90 0 - 9.1-13.1 QD1 LEU 96 - HB3 SER 106 far 0 89 0 - 9.3-15.2 QD1 LEU 53 - HB2 SER 106 far 0 83 0 - 9.5-19.1 QD1 LEU 53 - HB3 SER 106 far 0 100 0 - 9.7-19.7 Violated in 1 structures by 0.02 A. Peak 10104 from aliabs.peaks (1.40, 3.96, 63.62 ppm; 4.40 A): 2 out of 25 assignments used, quality = 0.87: QB ALA 108 + HB3 SER 107 OK 80 83 100 96 3.2-5.5 7559/4.7=47, ~7556=46...(11) QB ALA 108 + HB2 SER 106 OK 37 55 75 90 4.0-7.7 11532/3.0=39...(11) QB ALA 109 - HB3 SER 107 poor 19 96 20 - 4.1-8.8 QB ALA 29 - HB3 SER 107 poor 16 81 20 - 2.2-17.3 QB ALA 110 - HB2 SER 106 poor 12 60 20 - 3.1-11.8 QB ALA 110 - HB3 SER 107 far 9 89 10 - 3.5-11.7 HG3 LYS 26 - HB3 SER 107 far 9 87 10 - 4.2-26.7 QB ALA 109 - HB2 SER 106 poor 9 67 30 42 4.4-9.3 11532/3.0=19...(8) QB ALA 28 - HB2 SER 106 far 6 63 10 - 4.0-24.5 QB ALA 15 - HB2 SER 106 far 3 59 5 - 5.8-42.5 QB ALA 29 - HB2 SER 106 far 3 53 5 - 5.5-21.8 QB ALA 28 - HB3 SER 107 lone 0 92 35 1 2.8-20.1 HB3 LEU 100 - HB3 SER 107 far 0 68 0 - 6.1-13.5 QB ALA 16 - HB2 SER 106 far 0 71 0 - 6.2-40.0 HG3 LYS 31 - HB3 SER 107 far 0 93 0 - 6.4-25.5 HG13 ILE 32 - HB3 SER 107 far 0 60 0 - 6.4-22.1 HG2 LYS 24 - HB3 SER 107 far 0 76 0 - 7.3-34.7 HG LEU 96 - HB3 SER 107 far 0 100 0 - 7.4-17.3 QB ALA 15 - HB3 SER 107 far 0 87 0 - 7.7-38.9 HG3 LYS 31 - HB2 SER 106 far 0 65 0 - 8.1-30.4 HB3 LEU 100 - HB2 SER 106 far 0 44 0 - 9.1-12.1 HG13 ILE 32 - HB2 SER 106 far 0 38 0 - 9.2-26.5 HG2 LYS 24 - HB2 SER 106 far 0 49 0 - 9.5-39.5 HG2 LYS 19 - HB2 SER 106 far 0 38 0 - 9.8-50.1 HG LEU 96 - HB2 SER 106 far 0 75 0 - 9.9-16.5 Violated in 4 structures by 0.06 A. Peak 10105 from aliabs.peaks (0.97, 3.96, 63.62 ppm; 3.76 A): 0 out of 10 assignments used, quality = 0.00: QG2 VAL 118 - HB3 SER 107 poor 15 60 25 - 1.8-12.4 QG1 VAL 105 - HB2 SER 106 poor 11 53 20 - 4.6-6.6 QG1 VAL 105 - HB3 SER 107 far 0 81 0 - 6.2-8.4 QG2 VAL 118 - HB2 SER 106 far 0 38 0 - 6.3-11.8 QD2 LEU 53 - HB3 SER 107 far 0 99 0 - 6.5-19.6 QG1 VAL 112 - HB3 SER 107 far 0 98 0 - 6.8-15.1 QG2 VAL 126 - HB3 SER 107 far 0 96 0 - 7.9-16.3 QG1 VAL 112 - HB2 SER 106 far 0 71 0 - 8.3-14.0 QG1 VAL 126 - HB3 SER 107 far 0 87 0 - 8.3-15.3 QD2 LEU 53 - HB2 SER 106 far 0 71 0 - 9.0-20.2 Violated in 15 structures by 1.04 A. Peak 10106 from aliabs.peaks (0.78, 3.96, 63.62 ppm; 3.87 A): 1 out of 20 assignments used, quality = 0.22: QD1 LEU 103 + HB3 SER 107 OK 22 100 30 72 2.8-10.5 10069/11473=27...(18) QG1 VAL 63 - HB3 SER 107 poor 14 100 35 40 1.9-7.9 11486/4.7=17...(6) QD1 LEU 103 - HB2 SER 106 poor 13 74 35 51 3.8-10.0 11535/3.0=22...(10) QG1 VAL 63 - HB2 SER 106 far 7 74 10 - 4.1-10.3 QD1 ILE 32 - HB3 SER 107 far 5 97 5 - 4.6-16.8 QD2 LEU 119 - HB3 SER 107 far 5 97 5 - 4.9-14.6 QD2 LEU 122 - HB3 SER 107 far 0 99 0 - 5.4-13.1 QD1 LEU 122 - HB3 SER 107 far 0 63 0 - 5.5-13.4 QD1 LEU 96 - HB3 SER 107 far 0 100 0 - 6.4-16.2 QD2 LEU 96 - HB3 SER 107 far 0 60 0 - 7.0-15.4 QD2 LEU 122 - HB2 SER 106 far 0 71 0 - 7.3-12.5 QD2 LEU 119 - HB2 SER 106 far 0 69 0 - 7.6-14.8 QG1 VAL 93 - HB3 SER 107 far 0 63 0 - 7.6-17.6 QD1 LEU 53 - HB3 SER 107 far 0 92 0 - 7.7-19.3 QD1 ILE 32 - HB2 SER 106 far 0 70 0 - 7.8-20.8 QD2 LEU 96 - HB2 SER 106 far 0 38 0 - 8.5-14.9 QD2 LEU 49 - HB3 SER 107 far 0 85 0 - 8.8-15.0 QD1 LEU 122 - HB2 SER 106 far 0 40 0 - 8.9-12.9 QD1 LEU 96 - HB2 SER 106 far 0 74 0 - 9.0-15.3 QD1 LEU 53 - HB2 SER 106 far 0 63 0 - 9.5-19.1 Violated in 14 structures by 3.23 A. Peak 10107 from aliabs.peaks (1.82, 3.92, 63.62 ppm; 5.46 A): 2 out of 13 assignments used, quality = 0.85: HB ILE 32 + HB2 SER 33 OK 65 65 100 100 4.9-6.5 2.1/10111=87...(22) HB2 LYS 36 + HB2 SER 33 OK 57 70 85 96 2.4-8.1 10856/1.8=38...(17) HB3 LYS 31 - HB2 SER 33 poor 20 66 30 - 6.3-9.0 HB3 LYS 26 - HB2 SER 33 poor 17 69 25 - 5.1-18.6 HB3 ARG 23 - HB2 SER 107 far 10 100 10 - 2.9-35.7 HB3 LYS 26 - HB2 SER 107 far 10 99 10 - 2.3-27.8 HB3 ARG 23 - HB2 SER 33 far 7 71 10 - 6.7-24.5 HB3 LYS 31 - HB2 SER 107 far 5 97 5 - 5.7-28.3 HB3 LYS 24 - HB2 SER 33 far 3 68 5 - 4.4-23.2 HB2 LEU 100 - HB2 SER 107 far 0 100 0 - 7.6-13.6 HB ILE 32 - HB2 SER 107 far 0 96 0 - 8.4-23.2 HB3 LYS 24 - HB2 SER 107 far 0 98 0 - 8.7-33.8 HB2 CYS 79 - HB2 SER 33 far 0 69 0 - 9.2-20.7 Violated in 1 structures by 0.02 A. Peak 10109 from aliabs.peaks (1.42, 3.92, 63.62 ppm; 4.80 A): 1 out of 10 assignments used, quality = 0.72: QB ALA 34 + HB2 SER 33 OK 72 72 100 100 3.5-6.0 6376/6373=85, ~10864=68...(13) QB ALA 109 - HB2 SER 107 poor 19 63 30 - 3.8-8.4 HG2 LYS 26 - HB2 SER 33 poor 15 61 25 - 3.4-20.9 HG2 LYS 26 - HB2 SER 107 far 9 92 10 - 4.5-27.0 HG13 ILE 32 - HB2 SER 33 far 0 63 0 - 6.6-7.7 HG13 ILE 32 - HB2 SER 107 far 0 95 0 - 6.9-23.3 QB ALA 16 - HB2 SER 33 far 0 45 0 - 7.8-24.9 HG LEU 96 - HB2 SER 107 far 0 87 0 - 8.5-17.3 QB ALA 16 - HB2 SER 107 far 0 73 0 - 8.7-36.5 HG3 LYS 19 - HB2 SER 107 far 0 78 0 - 9.9-46.4 Violated in 11 structures by 0.22 A. Peak 10110 from aliabs.peaks (0.96, 3.92, 63.62 ppm; 5.58 A): 1 out of 7 assignments used, quality = 0.56: QG1 VAL 105 + HB2 SER 107 OK 56 99 60 93 6.6-7.7 11448/4.1=64, ~10113=56...(8) QG2 ILE 37 - HB2 SER 33 poor 11 44 25 - 5.3-9.0 QG1 VAL 112 - HB2 SER 107 far 10 99 10 - 6.1-15.5 QD1 LEU 119 - HB2 SER 107 far 8 81 10 - 3.5-15.6 QD2 LEU 53 - HB2 SER 107 far 0 99 0 - 7.5-20.5 QG2 VAL 126 - HB2 SER 107 far 0 100 0 - 9.1-16.7 QG1 VAL 126 - HB2 SER 107 far 0 100 0 - 9.5-15.6 Violated in 20 structures by 1.55 A. Peak 10111 from aliabs.peaks (0.81, 3.92, 63.62 ppm; 4.98 A): 1 out of 12 assignments used, quality = 0.42: QG2 ILE 32 + HB2 SER 33 OK 42 42 100 100 3.9-5.0 4.4/6367=71...(23) QD1 LEU 70 - HB2 SER 107 far 15 100 15 - 5.5-12.8 QD2 LEU 119 - HB2 SER 107 far 4 73 5 - 5.5-15.1 QD2 LEU 22 - HB2 SER 107 far 3 63 5 - 5.2-33.5 QD2 LEU 122 - HB2 SER 107 far 0 65 0 - 6.8-13.3 QD1 LEU 122 - HB2 SER 107 far 0 99 0 - 6.9-13.3 QD2 LEU 22 - HB2 SER 33 far 0 38 0 - 7.2-24.2 QG2 ILE 32 - HB2 SER 107 far 0 68 0 - 8.4-20.7 QD1 LEU 53 - HB2 SER 107 far 0 83 0 - 8.5-19.9 QD1 LEU 70 - HB2 SER 33 far 0 72 0 - 9.6-16.4 QD2 LEU 49 - HB2 SER 107 far 0 90 0 - 9.7-15.6 QG2 ILE 129 - HB2 SER 33 far 0 66 0 - 9.9-16.0 Violated in 1 structures by 0.00 A. Peak 10113 from aliabs.peaks (0.98, 4.39, 58.42 ppm; 6.64 A): 3 out of 12 assignments used, quality = 0.90: QG2 VAL 105 + HA SER 107 OK 68 68 100 100 4.4-6.4 ~11448=73, ~10110=71...(12) QG1 VAL 105 + HA SER 107 OK 56 60 100 94 6.4-7.7 10110/3.0=55, ~11476=43...(8) QG2 VAL 118 + HA SER 107 OK 28 81 35 98 3.4-11.1 ~11853=82, 10272=63...(9) QD1 LEU 69 - HA SER 33 far 5 35 15 - 7.6-11.7 QD2 LEU 53 - HA SER 107 far 5 90 5 - 7.9-18.1 QG2 VAL 126 - HA SER 107 far 4 83 5 - 8.1-14.6 QG1 VAL 126 - HA SER 107 far 3 68 5 - 7.6-13.5 QG1 VAL 105 - HA SER 9 far 0 49 0 - 8.2-47.6 QG1 VAL 112 - HA SER 107 far 0 89 0 - 8.3-13.9 QG2 VAL 126 - HA SER 33 far 0 44 0 - 8.9-15.0 QG2 VAL 105 - HA SER 9 far 0 56 0 - 9.0-46.9 QD1 LEU 69 - HA SER 107 far 0 68 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 10124 from aliabs.peaks (3.93, 0.96, 20.76 ppm; 3.29 A): 1 out of 23 assignments used, quality = 1.00: HD3 PRO 113 + QG1 VAL 112 OK 100 100 100 100 2.8-3.4 1.8/10125=71, 11556=58...(39) HA2 GLY 111 - QG1 VAL 112 far 5 100 5 - 4.8-5.9 HA3 GLY 111 - QG1 VAL 112 far 5 96 5 - 4.7-6.0 HB2 SER 60 - QG1 VAL 112 far 4 71 5 - 4.4-15.9 HB3 SER 60 - QG1 VAL 112 far 0 71 0 - 5.2-15.5 HD3 PRO 117 - QG1 VAL 112 far 0 85 0 - 5.3-10.2 HB2 SER 107 - QG1 VAL 112 far 0 92 0 - 6.1-15.5 HB3 SER 107 - QG1 VAL 105 far 0 41 0 - 6.2-8.4 HB2 SER 107 - QG1 VAL 105 far 0 60 0 - 6.6-7.7 HB3 SER 107 - QG1 VAL 112 far 0 68 0 - 6.8-15.1 HA3 GLY 111 - QG1 VAL 105 far 0 64 0 - 6.8-16.0 HA2 GLY 111 - QG1 VAL 105 far 0 71 0 - 6.9-14.9 HA2 GLY 14 - QG1 VAL 112 far 0 92 0 - 6.9-41.4 HA3 GLY 14 - QG1 VAL 112 far 0 93 0 - 7.1-40.7 HA2 GLY 14 - QG1 VAL 105 far 0 60 0 - 7.6-38.7 HA3 GLY 14 - QG1 VAL 105 far 0 61 0 - 7.7-38.0 HA2 GLY 17 - QG1 VAL 105 far 0 55 0 - 7.7-38.7 HA3 GLY 17 - QG1 VAL 112 far 0 73 0 - 8.0-40.8 HA3 GLY 17 - QG1 VAL 105 far 0 45 0 - 8.1-37.2 HD3 PRO 113 - QG1 VAL 105 far 0 71 0 - 8.2-17.5 HD3 PRO 117 - QG1 VAL 105 far 0 54 0 - 9.0-16.1 HA2 GLY 17 - QG1 VAL 112 far 0 87 0 - 9.1-42.1 HB3 SER 60 - QG1 VAL 105 far 0 43 0 - 10.0-15.3 Violated in 6 structures by 0.01 A. Peak 10125 from aliabs.peaks (3.70, 0.96, 20.76 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 113 + QG1 VAL 112 OK 100 100 100 100 1.7-2.1 11557=76, 1.8/10124=68...(38) HD2 PRO 113 - QG1 VAL 105 far 0 71 0 - 9.5-17.7 Violated in 0 structures by 0.00 A. Peak 10126 from aliabs.peaks (3.93, 0.92, 20.13 ppm; 3.43 A): 3 out of 10 assignments used, quality = 1.00: HD3 PRO 113 + QG2 VAL 112 OK 97 97 100 100 3.0-4.6 10124/2.1=68...(44) HA2 GLY 111 + QG2 VAL 112 OK 83 100 85 98 3.1-5.3 10661=66, 3.6/3556=53...(17) HA3 GLY 111 + QG2 VAL 112 OK 66 85 80 97 3.2-5.5 1.8/10661=58...(19) HB3 SER 60 - QG2 VAL 112 far 9 87 10 - 3.6-16.9 HB2 SER 60 - QG2 VAL 112 far 4 87 5 - 4.0-17.1 HA2 GLY 14 - QG2 VAL 112 far 0 99 0 - 5.1-42.9 HA3 GLY 14 - QG2 VAL 112 far 0 99 0 - 5.3-42.2 HB2 SER 107 - QG2 VAL 112 far 0 99 0 - 6.6-16.3 HD3 PRO 117 - QG2 VAL 112 far 0 68 0 - 6.7-11.0 HA2 GLY 17 - QG2 VAL 112 far 0 71 0 - 6.8-43.5 Violated in 0 structures by 0.00 A. Peak 10128 from aliabs.peaks (4.27, 2.12, 32.13 ppm; 4.43 A): 2 out of 8 assignments used, quality = 0.75: HB THR 115 + HB VAL 112 OK 65 100 65 100 2.9-7.0 11544/2.1=89...(16) HA ALA 109 + HB VAL 112 OK 29 97 30 99 4.6-11.5 ~10135=58, ~10135=56...(12) HA ALA 110 - HB VAL 112 far 9 89 10 - 5.4-8.4 HA ALA 16 - HB VAL 112 far 5 98 5 - 5.0-50.4 HA ALA 15 - HB VAL 112 far 5 96 5 - 4.8-53.3 HA ALA 108 - HB VAL 112 far 0 97 0 - 7.4-14.8 HA GLN 61 - HB VAL 112 far 0 96 0 - 9.0-21.1 HA ARG 84 - HB2 PRO 81 far 0 55 0 - 9.7-11.4 Violated in 17 structures by 0.72 A. Peak 10129 from aliabs.peaks (3.94, 2.12, 32.13 ppm; 3.73 A): 3 out of 14 assignments used, quality = 1.00: HD3 PRO 113 + HB VAL 112 OK 100 100 100 100 4.2-5.0 11571=80, 1.8/11570=80...(43) HA2 GLY 111 + HB VAL 112 OK 76 99 80 95 3.8-5.7 3.6/7587=58...(14) HA3 GLY 111 + HB VAL 112 OK 28 99 30 95 3.9-6.2 3.6/7587=58, ~10661=43...(15) HB2 SER 60 - HB VAL 112 far 3 60 5 - 4.8-20.4 HB3 SER 60 - HB VAL 112 far 3 60 5 - 4.9-20.0 HD3 PRO 117 - HB VAL 112 far 0 92 0 - 6.2-11.1 HB2 SER 107 - HB VAL 112 far 0 85 0 - 7.3-17.5 HA3 GLY 17 - HB VAL 112 far 0 83 0 - 7.9-49.3 HB2 SER 106 - HB VAL 112 far 0 60 0 - 8.0-15.7 HB3 SER 107 - HB VAL 112 far 0 78 0 - 8.2-17.5 HA2 GLY 14 - HB VAL 112 far 0 85 0 - 8.5-49.9 HA3 GLY 14 - HB VAL 112 far 0 87 0 - 8.7-49.1 HA2 GLY 17 - HB VAL 112 far 0 93 0 - 9.0-50.9 HA LEU 100 - HB VAL 112 far 0 65 0 - 9.3-17.9 Violated in 17 structures by 0.37 A. Peak 10130 from aliabs.peaks (3.70, 2.12, 32.13 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 113 + HB VAL 112 OK 100 100 100 100 3.0-4.2 11570=100, 10125/2.1=77...(44) Violated in 17 structures by 0.28 A. Peak 10131 from aliabs.peaks (3.70, 0.92, 20.13 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 113 + QG2 VAL 112 OK 100 100 100 100 1.9-3.9 10137=99, 10125/2.1=79...(44) Violated in 5 structures by 0.03 A. Peak 10134 from aliabs.peaks (1.40, 2.12, 32.13 ppm; 4.47 A): 2 out of 9 assignments used, quality = 0.92: QB ALA 109 + HB VAL 112 OK 89 99 90 100 3.4-9.8 10135/2.1=89...(14) QB ALA 110 + HB VAL 112 OK 34 95 40 90 3.7-7.4 11496/2.1=38...(12) QB ALA 15 - HB VAL 112 far 14 93 15 - 5.1-44.2 QB ALA 16 - HB VAL 112 far 10 100 10 - 3.7-41.2 HG2 LYS 86 - HB2 PRO 81 far 0 61 0 - 6.7-10.2 QB ALA 108 - HB VAL 112 far 0 90 0 - 7.0-11.8 HB2 LEU 42 - HB2 PRO 81 far 0 53 0 - 8.7-13.9 HG2 LYS 19 - HB VAL 112 far 0 71 0 - 9.1-50.2 QB ALA 34 - HB2 PRO 81 far 0 59 0 - 9.4-17.3 Violated in 3 structures by 0.14 A. Peak 10135 from aliabs.peaks (1.40, 0.96, 20.76 ppm; 3.81 A): 1 out of 20 assignments used, quality = 0.61: QB ALA 109 + QG1 VAL 112 OK 61 90 70 96 3.9-9.5 11548/2.1=45...(16) QB ALA 110 - QG1 VAL 112 poor 16 81 20 - 4.7-6.8 QB ALA 15 - QG1 VAL 112 far 12 78 15 - 4.7-36.8 QB ALA 109 - QG1 VAL 105 poor 12 59 20 - 2.9-10.5 QB ALA 16 - QG1 VAL 112 far 10 96 10 - 4.6-34.2 QB ALA 108 - QG1 VAL 105 far 4 45 10 - 4.7-8.8 QB ALA 29 - QG1 VAL 105 far 4 43 10 - 3.5-17.0 HG3 LYS 26 - QG1 VAL 105 far 2 49 5 - 4.0-23.7 HG2 LYS 26 - QG1 VAL 105 far 2 39 5 - 3.1-24.2 QB ALA 16 - QG1 VAL 105 far 0 64 0 - 5.7-31.5 QB ALA 110 - QG1 VAL 105 far 0 50 0 - 5.9-12.6 QB ALA 15 - QG1 VAL 105 far 0 49 0 - 6.5-33.7 QB ALA 28 - QG1 VAL 105 far 0 54 0 - 6.5-19.0 QB ALA 108 - QG1 VAL 112 far 0 73 0 - 7.2-10.8 HG LEU 96 - QG1 VAL 105 far 0 69 0 - 8.8-14.6 HG2 LYS 24 - QG1 VAL 105 far 0 39 0 - 8.9-31.0 HG13 ILE 32 - QG1 VAL 105 far 0 43 0 - 9.1-20.4 HG3 LYS 31 - QG1 VAL 105 far 0 55 0 - 9.4-23.1 QB ALA 34 - QG1 VAL 105 far 0 65 0 - 9.4-20.7 HG2 LYS 26 - QG1 VAL 112 far 0 65 0 - 9.5-28.9 Violated in 20 structures by 1.39 A. Peak 10137 from aliabs.peaks (0.93, 3.70, 50.81 ppm; 3.69 A): 1 out of 6 assignments used, quality = 0.99: QG2 VAL 112 + HD2 PRO 113 OK 99 99 100 100 1.9-3.9 10131=99, 2.1/10125=79...(44) QD1 LEU 119 - HD2 PRO 113 far 10 98 10 - 4.5-10.8 QG1 VAL 57 - HD2 PRO 113 far 0 95 0 - 6.3-15.6 QD1 LEU 62 - HD2 PRO 113 far 0 90 0 - 6.3-11.2 QG2 VAL 63 - HD2 PRO 113 far 0 85 0 - 6.7-12.8 QG1 VAL 105 - HD2 PRO 113 far 0 73 0 - 9.5-17.7 Violated in 5 structures by 0.03 A. Peak 10139 from aliabs.peaks (0.93, 3.94, 50.81 ppm; 3.84 A): 2 out of 13 assignments used, quality = 1.00: QG2 VAL 112 + HD3 PRO 113 OK 99 99 100 100 3.0-4.6 2.1/10124=82...(44) QD1 LEU 119 + HD3 PRO 117 OK 29 69 45 94 4.6-6.5 10252/1.8=52...(11) QD1 LEU 119 - HD3 PRO 113 far 15 98 15 - 3.5-10.5 QG1 VAL 57 - HD3 PRO 113 far 5 95 5 - 5.3-15.2 QD1 LEU 62 - HD3 PRO 113 far 0 90 0 - 5.4-10.4 QD1 LEU 62 - HD3 PRO 117 far 0 60 0 - 5.5-14.4 QG2 VAL 63 - HD3 PRO 113 far 0 85 0 - 5.5-12.2 QG2 VAL 112 - HD3 PRO 117 far 0 71 0 - 6.7-11.0 QG2 VAL 63 - HD3 PRO 117 far 0 55 0 - 6.9-14.9 QG1 VAL 105 - HD3 PRO 113 far 0 73 0 - 8.2-17.5 QG1 VAL 105 - HD3 PRO 117 far 0 46 0 - 9.0-16.1 QD1 LEU 123 - HD3 PRO 113 far 0 100 0 - 9.4-17.0 QD1 LEU 123 - HD3 PRO 117 far 0 72 0 - 9.5-12.9 Violated in 13 structures by 0.16 A. Peak 10140 from aliabs.peaks (0.95, 1.91, 31.65 ppm; 4.46 A): 3 out of 6 assignments used, quality = 0.95: QG1 VAL 112 + HB2 PRO 113 OK 87 87 100 100 4.1-4.9 10125/3.0=68...(50) QD1 LEU 119 + HB2 PRO 113 OK 56 98 70 81 2.3-9.5 10160/3.9=51...(8) QG2 VAL 112 + HB2 PRO 113 OK 22 73 30 100 5.3-6.8 10137/3.0=68...(49) QG1 VAL 57 - HB2 PRO 113 far 5 100 5 - 5.9-13.2 QD2 LEU 53 - HB2 PRO 113 far 4 85 5 - 4.8-15.7 QD1 LEU 123 - HB2 PRO 113 far 0 78 0 - 7.9-16.0 Violated in 2 structures by 0.01 A. Peak 10141 from aliabs.peaks (1.58, 2.06, 27.50 ppm; 4.94 A): 1 out of 18 assignments used, quality = 0.34: HG LEU 123 + HB2 GLN 127 OK 34 76 45 100 5.6-8.8 ~11637=56, ~11638=54...(30) HG LEU 49 - HB2 GLN 127 poor 20 81 25 99 5.3-8.2 10430/4.5=30...(25) HB2 LEU 103 - HG2 PRO 117 poor 19 88 40 54 4.8-12.2 3370/2.3=18...(10) HB2 LEU 103 - HG3 PRO 117 poor 14 88 30 52 6.0-13.6 3370/2.3=18...(9) HG LEU 103 - HG3 PRO 113 far 9 89 10 - 5.5-15.5 HB2 LEU 103 - HG3 PRO 113 far 5 100 5 - 5.7-16.0 HG LEU 103 - HG2 PRO 117 far 0 72 0 - 6.6-15.1 HG LEU 122 - HB2 GLN 127 far 0 44 0 - 6.8-11.1 HG LEU 103 - HG3 PRO 117 far 0 72 0 - 7.3-16.6 HG LEU 122 - HG2 PRO 117 far 0 49 0 - 7.9-11.6 HG LEU 122 - HG3 PRO 117 far 0 49 0 - 8.7-13.2 HG LEU 123 - HG3 PRO 113 far 0 97 0 - 8.9-18.5 HG2 ARG 23 - HG3 PRO 58 far 0 67 0 - 8.9-29.0 HG LEU 123 - HG3 PRO 58 far 0 71 0 - 9.1-15.3 HG LEU 122 - HG3 PRO 113 far 0 63 0 - 9.4-17.1 HG LEU 123 - HG3 PRO 117 far 0 82 0 - 9.6-14.6 HG13 ILE 37 - HG3 PRO 81 far 0 59 0 - 9.9-19.1 HG LEU 103 - HG3 PRO 58 far 0 61 0 - 9.9-12.0 Violated in 20 structures by 2.03 A. Peak 10142 from aliabs.peaks (0.97, 2.06, 27.50 ppm; 4.21 A): 4 out of 20 assignments used, quality = 1.00: QG1 VAL 112 + HG3 PRO 113 OK 100 100 100 100 3.8-4.1 10125/2.3=89...(47) QG2 VAL 126 + HB2 GLN 127 OK 63 81 80 98 3.5-6.1 4.4/7813=48, ~10394=43...(24) QG1 VAL 57 + HG3 PRO 58 OK 49 49 100 100 3.6-4.6 9309/2.3=53, 9308/2.3=53...(28) QG1 VAL 126 + HB2 GLN 127 OK 45 76 60 98 3.5-6.7 10394/3.0=71...(22) QD2 LEU 53 - HB2 GLN 127 far 12 81 15 - 3.2-9.1 QD1 LEU 119 - HG3 PRO 113 far 9 63 15 - 3.8-11.1 QD1 LEU 119 - HG3 PRO 117 far 5 49 10 - 4.8-8.0 QD1 LEU 119 - HG2 PRO 117 far 5 49 10 - 5.2-7.4 QG1 VAL 112 - HG2 PRO 117 far 4 88 5 - 4.1-11.6 QG1 VAL 112 - HG3 PRO 117 far 4 88 5 - 5.6-12.0 QG1 VAL 57 - HG3 PRO 113 far 4 73 5 - 5.6-15.1 QD2 LEU 53 - HG3 PRO 58 far 0 76 0 - 6.0-13.1 QD2 LEU 53 - HG3 PRO 113 far 0 100 0 - 6.2-17.6 QD1 LEU 119 - HG3 PRO 58 far 0 41 0 - 6.7-13.4 QG1 VAL 112 - HG3 PRO 58 far 0 76 0 - 6.9-14.8 QD2 LEU 53 - HG2 PRO 117 far 0 88 0 - 8.1-14.6 QD2 LEU 53 - HG3 PRO 117 far 0 88 0 - 8.8-15.6 QG1 VAL 105 - HG2 PRO 117 far 0 79 0 - 8.8-15.8 QG1 VAL 105 - HG3 PRO 113 far 0 95 0 - 9.3-18.8 QG1 VAL 105 - HG3 PRO 117 far 0 79 0 - 9.3-17.0 Violated in 0 structures by 0.00 A. Peak 10143 from aliabs.peaks (0.82, 2.06, 27.50 ppm; 6.02 A): 7 out of 18 assignments used, quality = 1.00: QG2 ILE 80 + HG3 PRO 81 OK 79 79 100 100 3.1-5.0 ~2478=73, ~11168=71...(46) HG13 ILE 80 + HG3 PRO 81 OK 75 75 100 100 3.9-6.9 2.1/11226=72, ~11248=68...(36) QG1 VAL 133 + HG3 PRO 81 OK 74 74 100 100 3.9-7.4 ~11757=80...(30) QG2 ILE 129 + HB2 GLN 127 OK 50 81 70 88 7.1-7.7 10441/4.7=53, ~2852=27...(10) QD2 LEU 49 + HB2 GLN 127 OK 44 44 100 100 5.3-7.0 ~11674=40, ~10437=39...(23) QG2 ILE 129 + HG3 PRO 81 OK 26 84 45 70 5.9-9.2 10486/9086=40...(13) QD1 LEU 122 + HB2 GLN 127 OK 25 63 65 61 5.9-9.7 3892/4.0=21...(10) QD1 LEU 122 - HG3 PRO 117 poor 14 68 20 - 7.0-10.7 QD1 LEU 122 - HG2 PRO 117 poor 8 68 35 34 6.8-10.8 11092/10325=17...(10) QD2 LEU 22 - HG3 PRO 58 far 6 63 10 - 5.6-27.3 QD1 LEU 122 - HG3 PRO 113 far 4 85 5 - 7.2-15.3 QD1 LEU 70 - HB2 GLN 127 far 4 72 5 - 7.0-12.4 QG1 VAL 133 - HB2 GLN 127 far 0 71 0 - 7.8-8.8 QD2 LEU 22 - HG2 PRO 117 far 0 74 0 - 8.3-34.7 QD1 LEU 122 - HG3 PRO 58 far 0 58 0 - 8.6-13.0 QD2 LEU 22 - HG3 PRO 117 far 0 74 0 - 8.8-35.9 QG2 ILE 32 - HG3 PRO 58 far 0 66 0 - 8.8-18.6 QD1 LEU 70 - HG2 PRO 117 far 0 79 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 10144 from aliabs.peaks (1.16, 2.06, 27.50 ppm; 6.80 A): 5 out of 14 assignments used, quality = 0.96: HB3 LEU 62 + HG3 PRO 58 OK 57 63 100 91 5.1-7.3 3.9/6792=37...(10) HG3 LYS 39 + HG3 PRO 81 OK 57 84 70 97 4.6-12.2 10567/10575=21, ~1166=21...(28) QG2 VAL 132 + HG3 PRO 81 OK 56 65 95 90 4.6-8.9 4.4/10582=29...(21) HG2 LYS 39 + HG3 PRO 81 OK 39 55 75 94 3.1-12.7 ~1166=21, ~1167=19...(28) QG2 VAL 132 + HB2 GLN 127 OK 20 63 85 38 6.9-8.6 10442/4079=11...(9) QG2 VAL 77 - HG3 PRO 81 poor 14 48 85 34 7.4-8.4 9649/11226=22...(6) HB3 LEU 62 - HG3 PRO 113 far 14 90 15 - 5.8-13.9 QG2 THR 18 - HG3 PRO 58 far 11 74 15 - 3.9-31.0 QG2 THR 25 - HG3 PRO 58 far 9 60 15 - 6.3-24.4 HG12 ILE 32 - HG3 PRO 58 far 4 75 5 - 8.1-23.3 QB ALA 41 - HG3 PRO 81 far 0 69 0 - 8.9-14.0 QG2 THR 18 - HG3 PRO 81 far 0 82 0 - 9.4-37.7 HB3 LEU 62 - HG2 PRO 117 far 0 74 0 - 9.6-18.8 HB3 LEU 62 - HG3 PRO 117 far 0 74 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 10145 from aliabs.peaks (2.72, 1.91, 31.65 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 10147 from aliabs.peaks (3.22, 2.06, 27.50 ppm; 6.80 A): 2 out of 8 assignments used, quality = 0.64: HB3 CYS 125 + HB2 GLN 127 OK 53 64 90 92 6.4-8.6 3.9/10360=54, 10384=35...(9) HD3 ARG 135 + HG3 PRO 81 OK 24 71 70 49 5.0-10.0 7986/7977=10, 3.7/4317=8...(13) HD2 ARG 84 - HG3 PRO 81 poor 10 42 25 - 6.2-12.2 HD3 ARG 84 - HG3 PRO 81 far 6 42 15 - 6.5-11.9 HB2 HIS 5 - HG3 PRO 81 far 4 74 5 - 7.6-64.4 HB3 HIS 4 - HG3 PRO 81 far 4 74 5 - 8.1-70.0 HB3 PHE 87 - HG3 PRO 81 far 0 71 0 - 9.3-13.0 HB2 PHE 87 - HG3 PRO 81 far 0 80 0 - 9.9-12.9 Violated in 6 structures by 0.15 A. Peak 10150 from aliabs.peaks (4.12, 4.36, 63.99 ppm; 4.88 A): 1 out of 6 assignments used, quality = 0.99: HA3 GLY 114 + HA PRO 113 OK 99 99 100 100 4.6-4.7 2.9/7591=98, 11572=96...(11) HA ILE 80 - HA CYS 73 far 0 51 0 - 6.7-9.7 HA GLN 104 - HA PRO 113 far 0 65 0 - 7.0-14.9 HA ALA 52 - HA PRO 113 far 0 90 0 - 9.2-17.3 HA CYS 79 - HA CYS 73 far 0 50 0 - 9.5-10.4 HA ILE 32 - HA CYS 73 far 0 52 0 - 9.8-18.6 Violated in 0 structures by 0.00 A. Peak 10157 from aliabs.peaks (1.93, 3.88, 45.18 ppm; 6.33 A): 2 out of 8 assignments used, quality = 1.00: HG2 PRO 113 + HA2 GLY 114 OK 99 99 100 100 4.5-5.8 ~7593=83, ~7595=82...(13) HB2 PRO 113 + HA2 GLY 114 OK 90 90 100 100 3.8-4.5 ~7591=92, ~3593=90...(21) HB2 ARG 90 - HA3 GLY 75 far 6 64 10 - 7.5-11.1 HB2 GLU 30 - HA3 GLY 75 far 3 64 5 - 4.6-26.3 HB2 PRO 58 - HA2 GLY 114 lone 1 76 40 4 4.2-14.7 HB3 ARG 90 - HA3 GLY 75 far 0 44 0 - 8.1-11.5 HG LEU 53 - HA2 GLY 114 far 0 97 0 - 8.9-16.2 HB2 MET 11 - HA3 GLY 75 far 0 70 0 - 9.3-42.8 Violated in 0 structures by 0.00 A. Peak 10158 from aliabs.peaks (1.90, 4.12, 45.18 ppm; 6.65 A): 2 out of 3 assignments used, quality = 0.99: HB2 PRO 113 + HA3 GLY 114 OK 99 99 100 100 3.8-4.2 2.3/10150=99, ~7591=96...(20) HB3 LEU 119 + HA3 GLY 114 OK 54 60 90 100 4.5-11.9 3.0/10165=88, ~10160=77...(9) HB3 LEU 123 - HA3 GLY 114 far 0 78 0 - 9.1-17.1 Violated in 0 structures by 0.00 A. Peak 10162 from aliabs.peaks (1.13, 3.88, 45.18 ppm; 5.19 A): 1 out of 4 assignments used, quality = 1.00: QG2 THR 115 + HA2 GLY 114 OK 100 100 100 100 3.5-5.0 2.1/10187=97...(15) HB3 LEU 62 - HA2 GLY 114 lone 4 90 30 15 5.3-12.5 1987/10163=4, ~10165=3...(6) HG12 ILE 32 - HA3 GLY 75 far 2 40 5 - 5.1-20.3 QG2 VAL 132 - HA3 GLY 75 far 0 64 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 10163 from aliabs.peaks (0.94, 3.88, 45.18 ppm; 4.56 A): 2 out of 11 assignments used, quality = 0.96: QD1 LEU 119 + HA2 GLY 114 OK 89 100 90 99 1.8-8.0 10160/2.9=75...(15) QG1 VAL 112 + HA2 GLY 114 OK 60 68 95 93 4.0-6.1 11544/10187=37...(11) QG2 ILE 37 - HA3 GLY 75 poor 18 72 25 - 4.8-11.1 QG2 VAL 63 - HA2 GLY 114 poor 12 60 20 - 5.5-12.5 QD1 LEU 62 - HA2 GLY 114 lone 4 68 50 11 4.9-10.6 10165/1.8=4, 3787/2253=3...(4) QD2 LEU 53 - HA2 GLY 114 far 3 65 5 - 5.7-14.0 QG1 VAL 57 - HA2 GLY 114 far 0 100 0 - 6.2-12.2 QG2 VAL 112 - HA2 GLY 114 far 0 90 0 - 6.3-8.2 QD1 LEU 123 - HA2 GLY 114 far 0 93 0 - 7.5-15.4 QD1 LEU 49 - HA2 GLY 114 far 0 65 0 - 9.6-16.2 QG2 VAL 126 - HA3 GLY 75 far 0 48 0 - 9.9-13.3 Violated in 2 structures by 0.04 A. Peak 10164 from aliabs.peaks (1.12, 4.12, 45.18 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + HA3 GLY 114 OK 100 100 100 100 3.9-5.2 11574=97, 7607/7604=84...(12) HB3 LEU 62 - HA3 GLY 114 far 0 85 0 - 6.3-13.7 Violated in 15 structures by 0.26 A. Peak 10165 from aliabs.peaks (0.93, 4.12, 45.18 ppm; 5.27 A): 1 out of 8 assignments used, quality = 0.92: QD1 LEU 119 + HA3 GLY 114 OK 92 97 95 100 2.0-8.8 10160/2.9=92...(12) QG1 VAL 57 - HA3 GLY 114 poor 18 92 20 - 5.9-12.5 QG2 VAL 112 - HA3 GLY 114 far 5 100 5 - 6.2-8.2 QD1 LEU 62 - HA3 GLY 114 lone 5 93 45 11 4.2-10.2 9607/1.8=3...(5) QG2 VAL 63 - HA3 GLY 114 far 0 89 0 - 6.9-12.5 QD1 LEU 123 - HA3 GLY 114 far 0 100 0 - 7.8-16.1 QG1 VAL 20 - HA3 GLY 114 far 0 85 0 - 9.3-35.3 QD1 LEU 49 - HA3 GLY 114 far 0 92 0 - 9.6-17.0 Violated in 3 structures by 0.25 A. Peak 10175 from aliabs.peaks (3.89, 4.40, 61.45 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: HA2 GLY 114 + HA THR 115 OK 100 100 100 100 4.3-4.9 7603/3.0=73...(18) HB2 SER 60 - HA THR 115 far 0 78 0 - 9.8-20.5 Violated in 20 structures by 0.41 A. Peak 10177 from aliabs.peaks (4.97, 4.40, 61.45 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HA THR 115 OK 100 100 100 100 4.4-5.1 2.9/3638=94...(22) Violated in 1 structures by 0.00 A. Peak 10178 from aliabs.peaks (4.97, 4.27, 69.62 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB THR 115 OK 100 100 100 100 4.0-6.3 2.9/7612=92, 11587=88...(15) Violated in 16 structures by 0.42 A. Peak 10179 from aliabs.peaks (4.97, 1.13, 21.32 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + QG2 THR 115 OK 100 100 100 100 3.3-5.3 11587/2.1=76...(19) Violated in 4 structures by 0.05 A. Peak 10180 from aliabs.peaks (1.92, 4.40, 61.45 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.78: HG2 PRO 113 + HA THR 115 OK 54 97 55 100 4.2-8.2 1.8/11939=96, ~10189=61...(22) HB2 PRO 113 + HA THR 115 OK 53 96 55 100 4.9-7.4 2.3/11939=90, ~10189=55...(27) HB2 PRO 58 - HA THR 115 far 0 65 0 - 8.4-18.1 Violated in 10 structures by 0.59 A. Peak 10181 from aliabs.peaks (3.88, 1.13, 21.32 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: HA2 GLY 114 + QG2 THR 115 OK 100 100 100 100 3.5-5.0 10187/2.1=82...(15) HD2 PRO 117 + QG2 THR 115 OK 43 71 75 82 2.0-7.3 3.8/10179=43...(9) HB2 SER 60 - QG2 THR 115 far 0 65 0 - 6.4-16.0 HB3 SER 60 - QG2 THR 115 far 0 65 0 - 7.1-16.1 Violated in 2 structures by 0.02 A. Peak 10184 from aliabs.peaks (2.83, 1.13, 21.32 ppm; 5.26 A): 1 out of 2 assignments used, quality = 0.89: HB2 ASN 116 + QG2 THR 115 OK 89 89 100 100 2.8-5.7 7615/4.2=72...(19) HB2 ASN 120 - QG2 THR 115 far 0 60 0 - 8.3-12.4 Violated in 4 structures by 0.04 A. Peak 10185 from aliabs.peaks (2.10, 1.13, 21.32 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.93: HB VAL 112 + QG2 THR 115 OK 93 93 100 100 2.1-4.2 2.1/10194=92, 11497=90...(19) HB VAL 57 - QG2 THR 115 far 0 96 0 - 7.5-14.0 HB2 GLU 102 - QG2 THR 115 far 0 83 0 - 9.3-13.6 HB3 GLN 61 - QG2 THR 115 far 0 100 0 - 9.5-16.1 Violated in 6 structures by 0.05 A. Peak 10186 from aliabs.peaks (1.85, 1.13, 21.32 ppm; 4.54 A): 0 out of 1 assignment used, quality = 0.00: HB3 LEU 119 - QG2 THR 115 far 8 78 10 - 5.6-8.9 Violated in 20 structures by 2.84 A. Peak 10187 from aliabs.peaks (3.88, 4.27, 69.62 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.40: HA2 GLY 114 + HB THR 115 OK 40 100 40 99 4.2-6.4 7603/7606=56...(13) HD2 PRO 117 - HB THR 115 far 12 81 15 - 4.3-8.0 Violated in 20 structures by 1.54 A. Peak 10189 from aliabs.peaks (2.06, 4.27, 69.62 ppm; 4.73 A): 1 out of 5 assignments used, quality = 0.49: HG3 PRO 113 + HB THR 115 OK 49 100 50 98 3.9-9.4 11939/3636=61, ~11558=39...(16) HG2 PRO 117 - HB THR 115 far 5 99 5 - 6.1-10.0 HG3 PRO 117 - HB THR 115 far 0 99 0 - 6.2-10.1 HB VAL 118 - HB THR 115 far 0 99 0 - 8.1-10.5 HB2 LEU 62 - HB THR 115 far 0 100 0 - 9.9-16.5 Violated in 13 structures by 2.03 A. Peak 10191 from aliabs.peaks (1.38, 4.27, 69.62 ppm; 3.54 A): 0 out of 6 assignments used, quality = 0.00: QB ALA 109 - HB THR 115 far 14 96 15 - 3.5-12.8 QB ALA 110 - HB THR 115 far 10 99 10 - 4.5-11.4 QB ALA 108 - HB THR 115 far 0 100 0 - 7.4-14.5 QB ALA 21 - HB THR 115 far 0 60 0 - 7.5-38.4 QB ALA 16 - HB THR 115 far 0 90 0 - 8.2-40.0 QB ALA 15 - HB THR 115 far 0 99 0 - 9.0-43.9 Violated in 19 structures by 3.23 A. Peak 10192 from aliabs.peaks (0.93, 4.27, 69.62 ppm; 4.43 A): 2 out of 4 assignments used, quality = 0.83: QG2 VAL 112 + HB THR 115 OK 74 99 75 100 4.4-7.0 11553/2.1=94...(20) QD1 LEU 119 + HB THR 115 OK 33 99 35 95 4.7-7.6 11623/3636=57...(8) QG2 VAL 63 - HB THR 115 far 0 81 0 - 7.8-13.2 QD1 LEU 62 - HB THR 115 far 0 87 0 - 8.5-12.4 Violated in 18 structures by 0.79 A. Peak 10193 from aliabs.peaks (0.81, 4.27, 69.62 ppm; 5.44 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 103 - HB THR 115 poor 19 63 30 - 6.3-9.8 QD2 LEU 119 - HB THR 115 poor 17 83 20 - 3.6-9.3 Violated in 19 structures by 1.43 A. Peak 10194 from aliabs.peaks (0.97, 1.13, 21.32 ppm; 2.75 A): 1 out of 5 assignments used, quality = 0.99: QG1 VAL 112 + QG2 THR 115 OK 99 100 100 99 1.7-3.5 11499=72, 2.1/11553=48...(21) QD1 LEU 119 - QG2 THR 115 poor 13 63 20 - 2.9-5.6 QG1 VAL 57 - QG2 THR 115 far 0 73 0 - 7.4-12.9 QD2 LEU 53 - QG2 THR 115 far 0 100 0 - 7.4-13.2 QG1 VAL 105 - QG2 THR 115 far 0 95 0 - 7.5-13.2 Violated in 3 structures by 0.05 A. Peak 10195 from aliabs.peaks (0.76, 1.13, 21.32 ppm; 3.58 A): 0 out of 5 assignments used, quality = 0.00: QD2 LEU 103 - QG2 THR 115 poor 15 60 25 - 3.8-8.4 QD2 LEU 119 - QG2 THR 115 poor 13 65 20 - 3.6-7.5 QD1 LEU 103 - QG2 THR 115 poor 11 85 45 29 3.7-7.1 2.1/11721=22...(4) QG1 VAL 63 - QG2 THR 115 far 0 83 0 - 6.7-12.1 QD2 LEU 122 - QG2 THR 115 far 0 73 0 - 7.4-12.6 Violated in 18 structures by 0.93 A. Peak 10196 from aliabs.peaks (1.37, 1.13, 21.32 ppm; 3.28 A): 0 out of 9 assignments used, quality = 0.00: QB ALA 109 - QG2 THR 115 poor 20 92 30 72 1.9-9.1 11496/11553=28...(9) QB ALA 110 - QG2 THR 115 far 10 97 10 - 2.5-8.1 QB ALA 108 - QG2 THR 115 far 5 99 5 - 4.5-10.4 QB ALA 16 - QG2 THR 115 far 0 85 0 - 5.9-33.1 QB ALA 15 - QG2 THR 115 far 0 98 0 - 6.3-36.4 QB ALA 21 - QG2 THR 115 far 0 68 0 - 7.0-31.9 QB ALA 12 - QG2 THR 115 far 0 95 0 - 8.7-37.0 HG3 LYS 26 - QG2 THR 115 far 0 98 0 - 8.8-27.1 HB3 LEU 100 - QG2 THR 115 far 0 100 0 - 9.8-13.5 Violated in 17 structures by 1.52 A. Peak 10200 from aliabs.peaks (2.04, 4.97, 51.55 ppm; 4.07 A): 3 out of 6 assignments used, quality = 1.00: HG2 PRO 117 + HA ASN 116 OK 96 96 100 100 4.1-4.6 2.3/3667=83, 2.3/3670=82...(29) HG3 PRO 117 + HA ASN 116 OK 96 96 100 100 4.1-4.6 2.3/3667=83, 2.3/3670=82...(27) HB VAL 118 + HA ASN 116 OK 58 68 90 94 4.3-5.9 2.1/10276=50...(17) HB2 LEU 62 - HA ASN 116 far 0 87 0 - 6.7-17.3 HG3 PRO 113 - HA ASN 116 far 0 87 0 - 8.5-11.6 HB VAL 63 - HA ASN 116 far 0 87 0 - 9.6-18.7 Violated in 0 structures by 0.00 A. Peak 10201 from aliabs.peaks (2.06, 2.85, 38.65 ppm; 5.15 A): 3 out of 9 assignments used, quality = 1.00: HB VAL 118 + HB2 ASN 116 OK 99 100 100 100 3.5-6.5 ~10276=48, 11531/3.5=46...(17) HG2 PRO 117 + HB2 ASN 116 OK 68 97 70 100 5.3-7.1 2.3/10207=82, ~10241=63...(31) HG3 PRO 117 + HB2 ASN 116 OK 48 97 50 100 5.4-7.1 2.3/10207=82, ~10241=63...(30) HB2 LEU 62 - HB2 ASN 116 poor 20 100 20 - 6.0-15.4 HB VAL 57 - HB2 ASN 116 far 0 65 0 - 6.9-18.3 HG3 PRO 113 - HB2 ASN 116 far 0 100 0 - 6.9-11.9 HB2 GLU 102 - HB2 ASN 116 far 0 85 0 - 8.3-14.2 HG3 PRO 58 - HB2 ASN 116 far 0 100 0 - 9.0-19.7 HB3 GLU 55 - HB2 ASN 116 far 0 81 0 - 9.1-20.2 Violated in 2 structures by 0.04 A. Peak 10206 from aliabs.peaks (3.86, 2.85, 38.65 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: HD2 PRO 117 + HB2 ASN 116 OK 100 100 100 100 3.3-5.2 4.8=100 HA2 GLY 114 + HB2 ASN 116 OK 53 71 80 94 4.2-7.2 3.6/10173=63...(8) HA LEU 62 - HB2 ASN 116 far 0 78 0 - 8.3-16.9 Violated in 0 structures by 0.00 A. Peak 10207 from aliabs.peaks (3.95, 2.85, 38.65 ppm; 4.77 A): 1 out of 9 assignments used, quality = 1.00: HD3 PRO 117 + HB2 ASN 116 OK 100 100 100 100 3.7-4.9 4.8=97, 3670/3.0=87...(33) HD3 PRO 113 - HB2 ASN 116 far 9 89 10 - 5.5-11.0 HA2 GLY 111 - HB2 ASN 116 far 8 78 10 - 3.7-11.7 HB3 SER 107 - HB2 ASN 116 far 5 99 5 - 4.5-15.6 HA3 GLY 111 - HB2 ASN 116 far 5 99 5 - 4.7-12.1 HA LEU 100 - HB2 ASN 116 far 0 97 0 - 6.7-10.8 HB3 SER 106 - HB2 ASN 116 far 0 68 0 - 7.3-15.0 HB2 SER 106 - HB2 ASN 116 far 0 95 0 - 7.5-14.9 HA3 GLY 17 - HB2 ASN 116 far 0 100 0 - 8.7-43.4 Violated in 2 structures by 0.00 A. Peak 10208 from aliabs.peaks (3.98, 2.93, 38.65 ppm; 5.12 A): 1 out of 7 assignments used, quality = 0.73: HD3 PRO 117 + HB3 ASN 116 OK 73 73 100 100 2.6-4.7 4.8=100 HB3 SER 107 - HB3 ASN 116 far 13 89 15 - 4.0-14.9 HA LEU 100 - HB3 ASN 116 poor 9 96 25 38 5.7-11.3 10210/3.5=17...(5) HB3 SER 99 - HB3 ASN 116 far 4 81 5 - 6.1-10.2 HB3 SER 106 - HB3 ASN 116 far 0 100 0 - 6.8-15.0 HB2 SER 106 - HB3 ASN 116 far 0 97 0 - 7.4-14.9 HA3 GLY 17 - HB3 ASN 116 far 0 85 0 - 9.9-44.1 Violated in 0 structures by 0.00 A. Peak 10209 from aliabs.peaks (4.37, 2.93, 38.65 ppm; 5.25 A): 3 out of 4 assignments used, quality = 1.00: HA PRO 117 + HB3 ASN 116 OK 99 99 100 100 4.7-6.1 3.6/10215=69...(13) HA THR 115 + HB3 ASN 116 OK 60 60 100 100 4.9-6.6 3.6/7616=89, ~10173=54...(19) HA PRO 113 + HB3 ASN 116 OK 21 100 35 60 3.2-9.6 11506/10295=28...(9) HA SER 107 - HB3 ASN 116 far 4 85 5 - 5.7-13.5 Violated in 4 structures by 0.01 A. Peak 10215 from aliabs.peaks (3.85, 2.93, 38.65 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 117 + HB3 ASN 116 OK 100 100 100 100 1.9-5.0 4.8=98, 3667/3.0=87...(29) HA LEU 62 - HB3 ASN 116 far 0 90 0 - 7.5-18.0 HA LEU 123 - HB3 ASN 116 far 0 100 0 - 9.6-13.6 Violated in 3 structures by 0.03 A. Peak 10224 from aliabs.peaks (1.87, 2.85, 38.65 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.65: HB3 LEU 119 + HB2 ASN 116 OK 65 99 65 100 4.5-9.0 3.0/10294=75...(26) HB3 LEU 123 - HB2 ASN 116 far 0 95 0 - 9.4-13.4 Violated in 14 structures by 0.91 A. Peak 10225 from aliabs.peaks (1.61, 2.85, 38.65 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.94: HG LEU 119 + HB2 ASN 116 OK 94 99 95 100 3.3-7.5 2.1/10294=82...(30) HG LEU 62 - HB2 ASN 116 poor 14 60 40 58 5.1-13.1 2.1/10948=27...(9) HG LEU 122 - HB2 ASN 116 far 0 97 0 - 7.8-10.8 HB2 LEU 122 - HB2 ASN 116 far 0 99 0 - 7.9-10.8 Violated in 5 structures by 0.25 A. Peak 10226 from aliabs.peaks (1.38, 2.85, 38.65 ppm; 6.80 A): 1 out of 7 assignments used, quality = 0.83: QB ALA 109 + HB2 ASN 116 OK 83 99 85 99 2.2-11.0 10229/7615=92...(11) HB3 LEU 100 - HB2 ASN 116 far 10 99 10 - 8.2-12.0 QB ALA 108 - HB2 ASN 116 lone 6 100 45 13 4.5-12.0 10971/10968=4...(4) HG2 LYS 24 - HB2 ASN 116 far 5 100 5 - 6.9-35.0 QB ALA 15 - HB2 ASN 116 far 5 100 5 - 7.2-39.0 QB ALA 110 - HB2 ASN 116 lone 3 100 30 11 3.8-11.0 11496/10227=4...(3) QB ALA 16 - HB2 ASN 116 far 0 96 0 - 8.7-37.5 Violated in 8 structures by 0.61 A. Peak 10227 from aliabs.peaks (0.95, 2.85, 38.65 ppm; 4.33 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 119 + HB2 ASN 116 OK 98 98 100 100 2.0-4.8 10295/1.8=86, 10294=83...(32) QG1 VAL 112 + HB2 ASN 116 OK 47 87 65 84 2.9-7.8 11499/10184=31...(10) QG2 VAL 112 - HB2 ASN 116 poor 18 73 25 - 4.9-9.9 QD2 LEU 53 - HB2 ASN 116 far 0 85 0 - 6.2-13.2 QG1 VAL 57 - HB2 ASN 116 far 0 100 0 - 7.2-16.9 QD1 LEU 123 - HB2 ASN 116 far 0 78 0 - 8.0-12.1 QG1 VAL 105 - HB2 ASN 116 far 0 99 0 - 8.5-13.1 QG2 VAL 126 - HB2 ASN 116 far 0 92 0 - 9.9-13.5 Violated in 2 structures by 0.03 A. Peak 10228 from aliabs.peaks (0.95, 2.93, 38.65 ppm; 4.30 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 119 + HB3 ASN 116 OK 98 98 100 100 1.7-5.4 10295=97, 10294/1.8=85...(28) QG1 VAL 112 + HB3 ASN 116 OK 25 87 45 65 2.8-8.8 10230/7616=27...(7) QD2 LEU 53 - HB3 ASN 116 far 4 85 5 - 5.7-14.1 QG2 VAL 112 - HB3 ASN 116 far 4 73 5 - 4.5-10.3 QG1 VAL 57 - HB3 ASN 116 far 0 100 0 - 7.2-17.9 QG1 VAL 105 - HB3 ASN 116 far 0 99 0 - 7.8-13.6 QD1 LEU 123 - HB3 ASN 116 far 0 78 0 - 8.3-12.1 QG1 VAL 126 - HB3 ASN 116 far 0 98 0 - 9.8-13.1 Violated in 6 structures by 0.06 A. Peak 10232 from aliabs.peaks (0.80, 4.97, 51.55 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: QD2 LEU 119 + HA ASN 116 OK 99 99 100 100 3.3-7.2 10292/3.0=97, ~10295=89...(39) QD1 LEU 103 + HA ASN 116 OK 86 90 95 100 3.5-10.1 ~11831=74, ~11719=66...(16) QD1 LEU 122 + HA ASN 116 OK 36 98 55 66 7.2-10.3 3778/11579=19...(10) QD1 LEU 53 - HA ASN 116 poor 20 100 20 - 7.0-13.8 QD2 LEU 122 - HA ASN 116 poor 18 97 35 53 7.2-11.6 10265/10276=22...(7) QG1 VAL 63 - HA ASN 116 far 0 92 0 - 8.5-15.5 Violated in 0 structures by 0.00 A. Peak 10238 from aliabs.peaks (2.83, 3.86, 50.85 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.98: HB2 ASN 116 + HD2 PRO 117 OK 92 92 100 100 3.3-5.2 3.0/3667=78, 4.8=73...(31) HB3 ASN 85 + HD2 PRO 81 OK 75 87 100 86 2.7-5.8 11236/4.0=62, ~9789=23...(11) HB3 ASP 131 - HD2 PRO 81 far 0 64 0 - 9.7-12.4 Violated in 4 structures by 0.02 A. Peak 10239 from aliabs.peaks (2.93, 3.86, 50.85 ppm; 4.63 A): 2 out of 7 assignments used, quality = 1.00: HB3 ASN 116 + HD2 PRO 117 OK 100 100 100 100 1.9-5.0 10215=90, 3.0/3667=85...(29) HE3 LYS 39 + HD2 PRO 81 OK 26 97 35 77 4.1-10.1 10571/11757=21...(22) HE2 LYS 39 - HD2 PRO 81 poor 19 97 20 - 4.9-11.1 HE3 LYS 86 - HD2 PRO 81 poor 15 76 20 - 5.0-9.3 HD2 ARG 135 - HD2 PRO 81 far 14 95 15 - 6.0-10.6 HE3 LYS 24 - HD2 PRO 117 far 0 95 0 - 7.0-40.0 HE2 LYS 24 - HD2 PRO 117 far 0 85 0 - 7.6-38.7 Violated in 5 structures by 0.03 A. Peak 10240 from aliabs.peaks (2.84, 3.95, 50.85 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.93: HB2 ASN 116 + HD3 PRO 117 OK 93 93 100 100 3.7-4.9 4.8=88, 3.0/3670=84...(31) HB2 ASN 116 - HD3 PRO 113 far 6 63 10 - 5.5-11.0 Violated in 6 structures by 0.03 A. Peak 10241 from aliabs.peaks (2.94, 3.95, 50.85 ppm; 4.73 A): 1 out of 7 assignments used, quality = 0.97: HB3 ASN 116 + HD3 PRO 117 OK 97 97 100 100 2.6-4.7 4.8=95, 3.0/3670=86...(30) HB3 ASN 116 - HD3 PRO 113 far 3 67 5 - 5.9-11.5 HE3 LYS 19 - HD3 PRO 113 far 0 66 0 - 8.1-45.5 HE3 LYS 24 - HD3 PRO 117 far 0 100 0 - 8.2-38.9 HE2 LYS 24 - HD3 PRO 117 far 0 98 0 - 9.0-37.6 HE3 LYS 26 - HD3 PRO 113 far 0 57 0 - 9.2-30.5 HE2 LYS 19 - HD3 PRO 113 far 0 66 0 - 9.5-47.0 Violated in 0 structures by 0.00 A. Peak 10242 from aliabs.peaks (2.80, 2.36, 31.74 ppm; 4.17 A): 2 out of 5 assignments used, quality = 0.68: HB2 ASN 120 + HB2 PRO 117 OK 55 100 55 99 5.1-7.9 10301=88, 11561/2.3=53...(15) HB2 ASN 121 + HB2 PRO 117 OK 30 100 35 85 4.8-8.2 11589/1.8=25, 10301=19...(19) HB3 ASN 120 - HB2 PRO 117 far 5 100 5 - 5.2-7.4 HB3 ASN 85 - HB VAL 77 far 0 32 0 - 7.7-11.2 HB3 ASP 71 - HB VAL 77 far 0 40 0 - 10.0-12.2 Violated in 20 structures by 1.21 A. Peak 10247 from aliabs.peaks (4.98, 4.36, 64.64 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.91: HA ASN 116 + HA PRO 117 OK 91 91 100 100 4.4-4.6 4.8=100 Violated in 0 structures by 0.00 A. Peak 10248 from aliabs.peaks (4.97, 2.36, 31.74 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + HB2 PRO 117 OK 100 100 100 100 4.8-5.5 3667/3.0=92, 3670/3.0=92...(23) Violated in 3 structures by 0.04 A. Peak 10249 from aliabs.peaks (4.97, 2.01, 31.74 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 116 + HB3 PRO 117 OK 100 100 100 100 4.8-5.7 3667/3.0=96, 3670/3.0=95...(24) HA ASN 116 - HB VAL 63 far 0 49 0 - 9.6-18.7 Violated in 19 structures by 0.18 A. Peak 10252 from aliabs.peaks (0.94, 3.86, 50.85 ppm; 4.67 A): 1 out of 7 assignments used, quality = 0.93: QD1 LEU 119 + HD2 PRO 117 OK 93 100 95 98 4.5-6.6 10295/10215=54...(12) QG1 VAL 112 - HD2 PRO 117 far 6 57 10 - 4.2-10.0 QG2 VAL 112 - HD2 PRO 117 far 0 96 0 - 6.2-10.8 QD1 LEU 62 - HD2 PRO 117 far 0 78 0 - 6.7-13.6 QG2 VAL 63 - HD2 PRO 117 far 0 71 0 - 7.4-14.0 QG2 ILE 37 - HD2 PRO 81 far 0 98 0 - 7.7-13.4 QD1 LEU 123 - HD2 PRO 117 far 0 97 0 - 9.9-12.7 Violated in 18 structures by 0.82 A. Peak 10253 from aliabs.peaks (0.83, 3.86, 50.85 ppm; 4.64 A): 3 out of 8 assignments used, quality = 1.00: QG1 VAL 133 + HD2 PRO 81 OK 90 95 100 95 3.4-6.0 2.1/11757=66...(16) QG2 ILE 80 + HD2 PRO 81 OK 86 86 100 100 1.8-3.5 4.0=100 HG13 ILE 80 + HD2 PRO 81 OK 80 80 100 100 1.5-4.4 4.1/2478=63...(38) QG2 ILE 129 - HD2 PRO 81 poor 10 96 35 31 5.1-7.6 10482/11757=21...(4) QD1 LEU 122 - HD2 PRO 117 far 0 71 0 - 7.2-10.9 QD1 LEU 98 - HD2 PRO 117 far 0 63 0 - 7.5-13.2 QD2 LEU 22 - HD2 PRO 117 far 0 97 0 - 7.5-35.1 QG2 VAL 57 - HD2 PRO 117 far 0 68 0 - 8.9-16.4 Violated in 0 structures by 0.00 A. Peak 10257 from aliabs.peaks (4.96, 2.05, 27.30 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: HA ASN 116 + HG2 PRO 117 OK 100 100 100 100 4.1-4.6 3667/2.3=77, 3670/2.3=76...(29) HA ASN 116 + HG3 PRO 117 OK 100 100 100 100 4.1-4.6 3667/2.3=77, 3670/2.3=76...(27) HA ASN 116 - HG3 PRO 113 far 0 87 0 - 8.5-11.6 Violated in 5 structures by 0.02 A. Peak 10258 from aliabs.peaks (1.62, 2.06, 31.39 ppm; 4.49 A): 3 out of 7 assignments used, quality = 1.00: HG LEU 119 + HB VAL 118 OK 97 100 100 98 3.6-5.5 3781/3741=57...(20) HB2 LEU 122 + HB VAL 118 OK 87 97 90 99 3.8-6.7 390/2.1=40, ~7718=24...(37) HG LEU 122 + HB VAL 118 OK 69 93 75 98 3.9-7.6 11104/3.0=31, ~11612=23...(32) HG LEU 62 - HB VAL 118 poor 19 68 40 69 4.3-12.4 2.1/2007=31, 1991=12...(16) HB2 LEU 123 - HB VAL 118 far 6 57 10 - 5.8-9.6 HB2 LEU 98 - HB VAL 118 far 0 65 0 - 6.3-10.9 HG LEU 70 - HB VAL 118 far 0 99 0 - 9.6-12.2 Violated in 1 structures by 0.02 A. Peak 10259 from aliabs.peaks (1.38, 2.06, 31.39 ppm; 4.32 A): 1 out of 10 assignments used, quality = 0.75: HB3 LEU 100 + HB VAL 118 OK 75 100 75 100 4.7-9.2 10262/2.1=86...(19) QB ALA 108 - HB VAL 118 far 10 100 10 - 3.0-12.4 QB ALA 110 - HB VAL 118 far 10 99 10 - 4.8-14.0 HG2 LYS 24 - HB VAL 118 far 5 100 5 - 4.7-32.5 QB ALA 109 - HB VAL 118 far 5 96 5 - 4.5-11.9 QB ALA 21 - HB VAL 118 far 0 60 0 - 6.5-32.7 HG2 LYS 95 - HB VAL 118 far 0 95 0 - 7.1-13.7 HG3 LYS 95 - HB VAL 118 far 0 97 0 - 7.2-13.6 HB2 LEU 96 - HB VAL 118 far 0 100 0 - 8.0-11.6 HG LEU 96 - HB VAL 118 far 0 78 0 - 9.6-12.3 Violated in 20 structures by 1.24 A. Peak 10260 from aliabs.peaks (1.82, 0.89, 21.66 ppm; 4.00 A): 3 out of 7 assignments used, quality = 0.99: HB2 LEU 100 + QG1 VAL 118 OK 95 100 95 100 3.1-6.2 1.8/10262=85, ~10264=51...(25) HB3 LEU 103 + QG1 VAL 118 OK 67 71 95 100 1.9-6.5 1.8/10261=46...(34) HB3 LEU 122 + QG1 VAL 118 OK 61 63 100 98 1.8-4.7 1.8/390=38, 3.1/11612=25...(32) HB3 LYS 24 - QG1 VAL 118 far 5 100 5 - 5.5-24.0 HB3 LYS 26 - QG1 VAL 118 far 0 100 0 - 7.9-20.4 HB3 ARG 23 - QG1 VAL 118 far 0 100 0 - 8.1-26.4 HB VAL 93 - QG1 VAL 118 far 0 97 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 10261 from aliabs.peaks (1.57, 0.89, 21.66 ppm; 3.47 A): 2 out of 7 assignments used, quality = 0.99: HB2 LEU 103 + QG1 VAL 118 OK 93 99 95 99 2.2-5.6 3.0/11709=27...(29) HG LEU 103 + QG1 VAL 118 OK 85 96 90 99 3.3-8.1 ~10069=36, ~10069=34...(25) HB2 LEU 119 - QG1 VAL 118 far 10 68 15 - 4.7-6.0 HG LEU 123 - QG1 VAL 118 far 10 100 10 - 4.2-8.7 HG LEU 49 - QG1 VAL 118 far 0 100 0 - 8.1-12.4 HG2 ARG 23 - QG1 VAL 118 far 0 99 0 - 8.6-27.9 HB2 LEU 22 - QG1 VAL 118 far 0 65 0 - 9.4-28.0 Violated in 5 structures by 0.12 A. Peak 10262 from aliabs.peaks (1.38, 0.89, 21.66 ppm; 3.59 A): 1 out of 13 assignments used, quality = 0.90: HB3 LEU 100 + QG1 VAL 118 OK 90 98 95 96 2.3-6.2 10264/2.1=63...(22) QB ALA 108 - QG1 VAL 118 far 10 100 10 - 2.6-10.7 QB ALA 110 - QG1 VAL 118 far 5 100 5 - 4.6-13.0 HB2 LEU 96 - QG1 VAL 118 far 5 100 5 - 4.7-7.7 HG3 LYS 95 - QG1 VAL 118 far 5 100 5 - 4.6-10.3 QB ALA 109 - QG1 VAL 118 far 5 100 5 - 4.9-10.3 HG2 LYS 24 - QG1 VAL 118 far 5 99 5 - 3.9-25.9 HG2 LYS 95 - QG1 VAL 118 far 5 99 5 - 4.7-10.4 HG LEU 96 - QG1 VAL 118 far 0 92 0 - 6.1-8.2 QB ALA 29 - QG1 VAL 118 far 0 100 0 - 7.7-13.2 QB ALA 28 - QG1 VAL 118 far 0 100 0 - 8.7-14.8 HG3 LYS 26 - QG1 VAL 118 far 0 100 0 - 9.1-20.0 QB ALA 15 - QG1 VAL 118 far 0 100 0 - 9.9-29.9 Violated in 1 structures by 0.13 A. Peak 10263 from aliabs.peaks (1.58, 1.00, 22.19 ppm; 3.71 A): 4 out of 7 assignments used, quality = 1.00: HB2 LEU 103 + QG2 VAL 118 OK 94 99 95 100 1.7-8.0 3.2/10265=36...(42) HG LEU 103 + QG2 VAL 118 OK 66 73 90 100 3.5-10.5 2.1/10265=46, ~10069=42...(29) HB2 LEU 122 + QG2 VAL 118 OK 57 71 85 95 2.3-5.9 1.8/11916=21...(37) HG LEU 122 + QG2 VAL 118 OK 45 81 60 93 3.4-7.4 2.1/10265=21...(34) HG LEU 123 - QG2 VAL 118 far 0 89 0 - 6.6-10.7 HG LEU 70 - QG2 VAL 118 far 0 63 0 - 7.3-10.3 HG2 ARG 23 - QG2 VAL 118 far 0 83 0 - 8.3-30.1 Violated in 1 structures by 0.09 A. Peak 10264 from aliabs.peaks (1.38, 1.00, 22.19 ppm; 3.64 A): 1 out of 12 assignments used, quality = 0.92: HB3 LEU 100 + QG2 VAL 118 OK 92 100 95 97 3.7-8.8 10262/2.1=69...(19) QB ALA 109 - QG2 VAL 118 far 15 98 15 - 4.1-10.6 QB ALA 110 - QG2 VAL 118 far 10 100 10 - 2.7-12.5 HG2 LYS 24 - QG2 VAL 118 far 5 100 5 - 2.2-28.3 HG3 LYS 95 - QG2 VAL 118 far 5 99 5 - 4.4-9.7 HG2 LYS 95 - QG2 VAL 118 far 5 97 5 - 4.3-10.0 QB ALA 108 - QG2 VAL 118 lone 4 100 35 12 2.8-10.4 10112/10272=7...(3) HB2 LEU 96 - QG2 VAL 118 far 0 100 0 - 6.9-9.2 HG LEU 96 - QG2 VAL 118 far 0 85 0 - 7.4-9.6 QB ALA 29 - QG2 VAL 118 far 0 100 0 - 8.6-14.5 HG3 LYS 26 - QG2 VAL 118 far 0 100 0 - 8.8-22.5 QB ALA 28 - QG2 VAL 118 far 0 99 0 - 9.4-16.9 Violated in 20 structures by 0.86 A. Peak 10265 from aliabs.peaks (0.78, 1.00, 22.19 ppm; 3.13 A): 3 out of 9 assignments used, quality = 0.97: QD1 LEU 103 + QG2 VAL 118 OK 93 100 95 98 2.2-8.3 10069/2.1=54...(37) QD2 LEU 122 + QG2 VAL 118 OK 41 100 45 91 3.2-7.1 11612/2.1=23...(40) QD1 LEU 122 + QG2 VAL 118 OK 32 71 50 90 3.7-6.7 11612/2.1=19...(39) QD2 LEU 119 - QG2 VAL 118 far 10 99 10 - 4.1-6.3 QD1 LEU 53 - QG2 VAL 118 far 0 96 0 - 4.7-10.5 QG1 VAL 63 - QG2 VAL 118 far 0 100 0 - 5.9-11.3 QD1 LEU 96 - QG2 VAL 118 far 0 99 0 - 6.6-8.5 QD2 LEU 49 - QG2 VAL 118 far 0 90 0 - 7.6-10.9 QD1 ILE 32 - QG2 VAL 118 far 0 95 0 - 8.8-14.2 Violated in 6 structures by 0.20 A. Peak 10266 from aliabs.peaks (2.33, 1.00, 22.19 ppm; 3.57 A): 0 out of 5 assignments used, quality = 0.00: HG2 GLU 102 - QG2 VAL 118 far 15 100 15 - 3.8-7.4 HB2 PRO 117 - QG2 VAL 118 far 4 71 5 - 3.8-5.8 HG2 GLN 27 - QG2 VAL 118 far 0 97 0 - 6.3-22.7 HG3 GLN 27 - QG2 VAL 118 far 0 95 0 - 7.1-21.6 HG2 GLN 127 - QG2 VAL 118 far 0 97 0 - 9.3-12.3 Violated in 20 structures by 1.38 A. Peak 10267 from aliabs.peaks (2.50, 1.00, 22.19 ppm; 4.00 A): 0 out of 2 assignments used, quality = 0.00: HG3 GLU 102 - QG2 VAL 118 far 15 100 15 - 2.7-8.6 HG3 GLN 104 - QG2 VAL 118 far 0 60 0 - 5.6-13.4 Violated in 17 structures by 1.90 A. Peak 10268 from aliabs.peaks (2.33, 0.89, 21.66 ppm; 4.03 A): 0 out of 7 assignments used, quality = 0.00: HG2 GLU 102 - QG1 VAL 118 far 5 100 5 - 5.5-9.0 HG2 GLN 27 - QG1 VAL 118 far 5 97 5 - 5.3-20.4 HB2 PRO 117 - QG1 VAL 118 far 4 71 5 - 5.4-7.1 HG3 GLN 27 - QG1 VAL 118 far 0 95 0 - 6.4-19.2 HG2 GLN 127 - QG1 VAL 118 far 0 97 0 - 7.1-10.4 HG3 GLN 68 - QG1 VAL 118 far 0 93 0 - 8.9-15.7 HG2 GLU 128 - QG1 VAL 118 far 0 99 0 - 10.0-13.8 Violated in 20 structures by 1.75 A. Peak 10269 from aliabs.peaks (2.51, 0.89, 21.66 ppm; 4.36 A): 0 out of 2 assignments used, quality = 0.00: HG3 GLU 102 - QG1 VAL 118 far 15 100 15 - 4.4-9.1 HG3 GLN 127 - QG1 VAL 118 far 0 63 0 - 7.9-11.1 Violated in 20 structures by 2.53 A. Peak 10270 from aliabs.peaks (3.98, 1.00, 22.19 ppm; 3.39 A): 2 out of 13 assignments used, quality = 0.95: HB3 SER 99 + QG2 VAL 118 OK 80 93 95 90 1.7-4.9 11475/2.1=45...(20) HA LEU 100 + QG2 VAL 118 OK 77 85 95 95 2.3-8.6 3.0/10264=46, ~10262=25...(26) HB3 SER 107 - QG2 VAL 118 poor 18 73 25 - 1.8-12.4 HB2 SER 106 - QG2 VAL 118 far 0 89 0 - 6.3-11.8 HB3 SER 106 - QG2 VAL 118 far 0 100 0 - 6.7-12.3 HB3 SER 124 - QG2 VAL 118 far 0 60 0 - 7.3-9.0 HB3 SER 94 - QG2 VAL 118 far 0 97 0 - 8.1-11.8 HB2 SER 124 - QG2 VAL 118 far 0 99 0 - 8.3-9.5 HA VAL 20 - QG2 VAL 118 far 0 99 0 - 9.4-32.8 HA SER 60 - QG2 VAL 118 far 0 68 0 - 9.5-16.6 HA3 GLY 17 - QG2 VAL 118 far 0 68 0 - 9.5-36.0 HA SER 50 - QG2 VAL 118 far 0 95 0 - 9.7-14.6 HA GLU 91 - QG2 VAL 118 far 0 97 0 - 9.7-14.4 Violated in 1 structures by 0.07 A. Peak 10271 from aliabs.peaks (4.24, 1.00, 22.19 ppm; 4.11 A): 1 out of 7 assignments used, quality = 0.80: HA SER 99 + QG2 VAL 118 OK 80 81 100 99 2.3-4.9 11599/2.1=73...(17) HA LEU 22 - QG2 VAL 118 far 0 83 0 - 5.9-30.0 HB THR 115 - QG2 VAL 118 far 0 65 0 - 8.0-9.8 HA SER 94 - QG2 VAL 118 far 0 99 0 - 8.2-11.0 HA SER 124 - QG2 VAL 118 far 0 100 0 - 8.9-10.8 HA GLN 27 - QG2 VAL 118 far 0 100 0 - 9.3-22.2 HA LYS 26 - QG2 VAL 118 far 0 76 0 - 9.7-23.3 Violated in 1 structures by 0.04 A. Peak 10272 from aliabs.peaks (4.39, 1.00, 22.19 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.76: HA PRO 117 + QG2 VAL 118 OK 76 76 100 100 4.8-5.6 2.3/11590=75...(18) HA SER 107 - QG2 VAL 118 poor 17 100 25 67 3.4-11.1 ~11853=37, ~11473=25...(8) HA PRO 113 - QG2 VAL 118 far 4 78 5 - 5.1-11.4 HA THR 115 - QG2 VAL 118 far 0 96 0 - 7.6-9.1 Violated in 20 structures by 0.97 A. Peak 10276 from aliabs.peaks (4.96, 1.00, 22.19 ppm; 6.55 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 116 + QG2 VAL 118 OK 100 100 100 100 4.0-5.5 10251/7642=91...(18) Violated in 0 structures by 0.00 A. Peak 10290 from aliabs.peaks (2.82, 1.62, 27.00 ppm; 5.25 A): 5 out of 16 assignments used, quality = 0.97: HB3 ASP 71 + HG LEU 70 OK 70 84 85 98 3.9-7.4 3.0/11117=63, ~9509=43...(9) HB3 ASN 85 + HG2 ARG 84 OK 54 64 90 94 3.7-6.9 ~11320=30, 11278/1.8=22...(24) HB3 ASN 85 + HG3 ARG 84 OK 48 54 95 94 3.3-6.8 ~11320=30, 11278/1.8=22...(24) HB2 ASN 120 + HG LEU 119 OK 32 90 35 100 6.0-7.8 ~10293=37, 10293/2.1=36...(29) HB3 ASN 120 + HG LEU 119 OK 30 87 35 100 5.3-8.1 10293/2.1=49...(27) HB2 ASN 121 - HG LEU 122 far 7 49 15 - 5.6-8.0 HB2 ASN 13 - HG LEU 22 far 5 95 5 - 6.6-20.9 HB3 ASP 64 - HG3 ARG 23 far 4 88 5 - 6.6-23.9 HB2 ASN 120 - HG LEU 122 far 0 57 0 - 7.0-10.3 HB3 ASN 120 - HG LEU 122 far 0 54 0 - 7.1-10.2 HB2 ASN 121 - HG LEU 119 far 0 81 0 - 7.4-9.6 HB3 ASP 64 - HG LEU 22 far 0 80 0 - 8.2-26.6 HB2 ASN 13 - HG3 ARG 23 far 0 100 0 - 9.0-20.4 HB2 ASN 121 - HG LEU 70 far 0 69 0 - 9.3-13.3 HB3 ASP 64 - HG LEU 122 far 0 55 0 - 9.3-13.3 HB3 ASP 64 - HG LEU 70 far 0 77 0 - 9.3-13.1 Violated in 0 structures by 0.00 A. Peak 10291 from aliabs.peaks (2.82, 1.87, 40.68 ppm; 5.50 A): 2 out of 3 assignments used, quality = 0.99: HB2 ASN 120 + HB3 LEU 119 OK 90 90 100 100 4.3-5.4 3.8/7665=45, 3.0/3814=45...(30) HB3 ASN 120 + HB3 LEU 119 OK 87 87 100 100 3.6-5.9 3.8/7665=45...(29) HB2 ASN 121 - HB3 LEU 119 poor 16 81 20 - 6.6-8.3 Violated in 0 structures by 0.00 A. Peak 10292 from aliabs.peaks (2.93, 0.79, 23.00 ppm; 4.39 A): 1 out of 6 assignments used, quality = 0.50: HB3 ASN 116 + QD2 LEU 119 OK 50 100 50 100 2.8-6.2 10295/2.1=85, ~10294=60...(26) HE3 LYS 24 - QD2 LEU 119 far 0 96 0 - 8.3-26.7 HE2 LYS 26 - QD2 LEU 119 far 0 73 0 - 8.4-22.4 HE2 LYS 24 - QD2 LEU 119 far 0 87 0 - 9.0-25.7 HE3 LYS 26 - QD2 LEU 119 far 0 65 0 - 9.3-21.3 HE3 LYS 19 - QD2 LEU 119 far 0 81 0 - 9.9-32.9 Violated in 16 structures by 1.11 A. Peak 10293 from aliabs.peaks (2.82, 0.79, 23.00 ppm; 4.87 A): 2 out of 4 assignments used, quality = 0.46: HB3 ASN 120 + QD2 LEU 119 OK 30 87 35 99 2.7-7.4 3.8/3796=51...(28) HB2 ASN 120 + QD2 LEU 119 OK 22 90 25 99 4.0-7.0 3.8/3796=51...(28) HB2 ASN 121 - QD2 LEU 119 far 4 81 5 - 5.2-9.2 HB3 ASP 64 - QD2 LEU 119 far 0 89 0 - 7.7-16.8 Violated in 18 structures by 0.94 A. Peak 10294 from aliabs.peaks (2.83, 0.94, 25.07 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.90: HB2 ASN 116 + QD1 LEU 119 OK 90 90 100 100 2.0-4.8 1.8/10295=75...(30) Violated in 7 structures by 0.23 A. Peak 10295 from aliabs.peaks (2.93, 0.94, 25.07 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.95: HB3 ASN 116 + QD1 LEU 119 OK 95 100 95 100 1.7-5.4 1.8/10294=74...(28) HE3 LYS 24 - QD1 LEU 119 far 0 92 0 - 8.2-28.7 HE2 LYS 24 - QD1 LEU 119 far 0 81 0 - 8.7-27.7 HE3 LYS 26 - QD1 LEU 119 far 0 57 0 - 9.6-21.2 Violated in 16 structures by 0.50 A. Peak 10296 from aliabs.peaks (4.28, 0.94, 25.07 ppm; 3.72 A): 0 out of 11 assignments used, quality = 0.00: HA ALA 110 - QD1 LEU 119 far 5 100 5 - 4.7-13.6 HA ALA 109 - QD1 LEU 119 far 5 100 5 - 4.1-12.7 HB THR 115 - QD1 LEU 119 far 5 97 5 - 4.7-7.6 HA ALA 108 - QD1 LEU 119 far 0 100 0 - 5.3-13.7 HA ALA 21 - QD1 LEU 119 far 0 95 0 - 6.4-31.7 HA ALA 15 - QD1 LEU 119 far 0 100 0 - 8.2-38.2 HA ALA 16 - QD1 LEU 119 far 0 99 0 - 8.3-36.2 HA LEU 22 - QD1 LEU 119 far 0 89 0 - 8.6-28.5 HA GLN 61 - QD1 LEU 119 far 0 100 0 - 8.7-13.7 HA THR 18 - QD1 LEU 119 far 0 100 0 - 9.7-35.1 HA LYS 26 - QD1 LEU 119 far 0 93 0 - 9.7-23.1 Violated in 20 structures by 2.04 A. Peak 10300 from aliabs.peaks (4.02, 2.80, 37.41 ppm; 4.13 A): 4 out of 12 assignments used, quality = 0.91: HB3 SER 124 + HB2 ASN 120 OK 55 97 80 71 4.3-6.4 3974/11626=26, 10355=26...(7) HB3 SER 124 + HB3 ASN 120 OK 53 97 75 72 3.1-6.4 3974/11626=29, 10355=25...(7) HD3 PRO 81 + HB3 ASN 85 OK 39 63 70 88 3.3-7.4 4.0/11172=44...(11) HA LEU 119 + HB3 ASN 120 OK 33 100 35 94 5.5-6.6 3.6/7670=27...(25) HA ARG 135 - HB3 ASN 85 far 11 72 15 - 4.8-9.8 HA LEU 119 - HB2 ASN 120 far 0 100 0 - 5.7-6.5 HB3 SER 99 - HB2 ASN 120 far 0 71 0 - 7.3-9.9 HA LEU 122 - HB2 ASN 120 far 0 89 0 - 7.8-8.8 HA LEU 122 - HB3 ASN 120 far 0 88 0 - 8.0-8.6 HB3 SER 99 - HB3 ASN 120 far 0 70 0 - 8.0-9.5 HA SER 50 - HB2 ASN 120 far 0 68 0 - 8.2-12.1 HA SER 50 - HB3 ASN 120 far 0 68 0 - 8.8-13.3 Violated in 12 structures by 0.15 A. Peak 10301 from aliabs.peaks (2.36, 2.80, 37.41 ppm; 4.34 A): 1 out of 8 assignments used, quality = 0.64: HB2 PRO 117 + HB2 ASN 120 OK 64 99 65 99 5.1-7.9 10242=64, 2.3/11561=56...(15) HB2 PRO 117 - HB3 ASN 120 far 15 99 15 - 5.2-7.4 HG2 GLN 127 - HB3 ASN 120 far 0 80 0 - 7.4-10.6 HB VAL 77 - HB3 ASN 85 far 0 46 0 - 7.7-11.2 HG2 GLN 127 - HB2 ASN 120 far 0 81 0 - 7.9-10.1 HG2 GLU 128 - HB3 ASN 85 far 0 48 0 - 8.6-13.6 HG3 GLU 55 - HB3 ASN 120 far 0 96 0 - 8.8-15.4 HG3 GLU 55 - HB2 ASN 120 far 0 97 0 - 9.0-15.0 Violated in 20 structures by 1.79 A. Peak 10302 from aliabs.peaks (2.03, 2.80, 37.41 ppm; 4.20 A): 4 out of 22 assignments used, quality = 0.86: HG3 ARG 135 + HB3 ASN 85 OK 50 73 75 91 3.0-7.5 11785=52, ~9800=29...(12) HB3 PRO 117 + HB2 ASN 120 OK 39 65 60 99 4.3-7.5 1.8/10301=73...(15) HG3 PRO 81 + HB3 ASN 85 OK 37 60 85 73 3.0-6.4 11785=36, 11226/11222=22...(10) HG2 PRO 81 + HB3 ASN 85 OK 30 40 100 75 2.2-4.9 1.8/11785=29, ~9789=23...(9) HB3 PRO 117 - HB3 ASN 120 poor 13 65 20 - 4.8-7.7 HB2 PRO 81 - HB3 ASN 85 far 4 36 10 - 4.9-7.8 HG3 PRO 117 - HB2 ASN 120 far 0 87 0 - 6.2-9.7 HG2 PRO 117 - HB2 ASN 120 far 0 87 0 - 6.4-9.3 HG2 PRO 117 - HB3 ASN 120 far 0 86 0 - 6.8-9.1 HG3 PRO 117 - HB3 ASN 120 far 0 86 0 - 7.0-9.6 HB2 GLN 134 - HB3 ASN 85 far 0 64 0 - 7.2-11.7 HG2 ARG 90 - HB3 ASN 85 far 0 67 0 - 7.4-10.7 HB2 GLN 127 - HB3 ASN 120 far 0 91 0 - 8.2-12.4 HB2 LEU 62 - HB3 ASN 120 far 0 73 0 - 8.3-14.0 HB3 GLU 55 - HB2 ASN 120 far 0 99 0 - 8.6-14.2 HB2 LEU 62 - HB2 ASN 120 far 0 73 0 - 8.7-14.5 HB3 GLU 55 - HB3 ASN 120 far 0 98 0 - 8.8-15.6 HB2 GLN 127 - HB2 ASN 120 far 0 92 0 - 8.9-11.7 HG3 PRO 56 - HB3 ASN 120 far 0 75 0 - 8.9-16.2 HG3 PRO 56 - HB2 ASN 120 far 0 76 0 - 9.3-16.1 HG2 PRO 56 - HB3 ASN 120 far 0 68 0 - 9.3-16.4 HG2 PRO 56 - HB2 ASN 120 far 0 68 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 10303 from aliabs.peaks (1.86, 2.80, 37.41 ppm; 4.46 A): 5 out of 5 assignments used, quality = 1.00: HB3 LEU 119 + HB2 ASN 120 OK 96 99 100 98 4.3-5.4 7665/3.8=33...(29) HB3 LEU 119 + HB3 ASN 120 OK 96 98 100 97 3.6-5.9 7665/3.8=33...(27) HB3 LEU 123 + HB3 ASN 120 OK 82 91 90 100 4.9-6.2 3927/3.0=56, ~3813=48...(26) HB3 LEU 123 + HB2 ASN 120 OK 73 92 80 100 4.6-6.2 3927/3.0=56, ~3813=48...(27) HB2 ARG 135 + HB3 ASN 85 OK 24 46 65 81 2.5-8.3 2.9/11785=38, ~9800=25...(10) Violated in 0 structures by 0.00 A. Peak 10305 from aliabs.peaks (1.64, 2.80, 37.41 ppm; 4.59 A): 5 out of 13 assignments used, quality = 0.97: HB2 LEU 123 + HB3 ASN 120 OK 59 99 60 100 4.2-6.8 3813/3.0=72, ~3927=47...(29) HG3 ARG 84 + HB3 ASN 85 OK 56 73 85 90 3.3-6.8 ~11320=22, 9788/1.8=18...(25) QB ALA 88 + HB3 ASN 85 OK 50 52 100 97 4.4-5.7 2750/3.0=62, 9853/1.8=60...(10) HB2 LEU 123 + HB2 ASN 120 OK 49 99 50 100 5.0-7.5 3813/3.0=72, ~3927=47...(29) HG2 ARG 84 + HB3 ASN 85 OK 26 72 40 90 3.7-6.9 ~11320=22, 9788/1.8=17...(25) HG LEU 119 - HB3 ASN 120 poor 16 82 20 - 5.3-8.1 HD3 LYS 86 - HB3 ASN 85 poor 13 67 35 57 5.0-9.5 11241/11172=24...(10) HD2 LYS 86 - HB3 ASN 85 far 6 63 10 - 5.9-8.8 HG LEU 119 - HB2 ASN 120 far 4 83 5 - 6.0-7.8 HG LEU 62 - HB2 ASN 120 far 0 100 0 - 6.8-12.4 HG LEU 62 - HB3 ASN 120 far 0 100 0 - 6.9-12.0 HG LEU 43 - HB3 ASN 85 far 0 73 0 - 9.6-13.3 HD3 LYS 24 - HB3 ASN 120 far 0 96 0 - 10.0-35.5 Violated in 0 structures by 0.00 A. Peak 10306 from aliabs.peaks (0.89, 2.80, 37.41 ppm; 4.19 A): 0 out of 13 assignments used, quality = 0.00: QD2 LEU 123 - HB2 ASN 120 far 5 99 5 - 3.9-7.9 QD2 LEU 123 - HB3 ASN 120 far 5 98 5 - 2.9-7.6 QD1 LEU 62 - HB2 ASN 120 far 0 76 0 - 5.7-10.7 QD1 LEU 62 - HB3 ASN 120 far 0 75 0 - 5.9-11.0 QG1 VAL 118 - HB2 ASN 120 far 0 100 0 - 5.9-7.5 QG1 VAL 118 - HB3 ASN 120 far 0 100 0 - 6.1-7.4 QD1 LEU 49 - HB3 ASN 120 far 0 78 0 - 7.2-10.8 QD1 LEU 49 - HB2 ASN 120 far 0 78 0 - 8.1-10.9 QG2 VAL 63 - HB2 ASN 120 far 0 83 0 - 8.9-13.8 QD2 LEU 98 - HB3 ASN 120 far 0 98 0 - 8.9-13.9 QD2 LEU 98 - HB2 ASN 120 far 0 99 0 - 9.0-14.0 QG2 VAL 63 - HB3 ASN 120 far 0 82 0 - 9.5-12.8 QD2 LEU 69 - HB3 ASN 85 far 0 46 0 - 9.7-14.9 Violated in 19 structures by 0.84 A. Peak 10307 from aliabs.peaks (0.79, 2.80, 37.41 ppm; 4.88 A): 8 out of 18 assignments used, quality = 0.94: HG13 ILE 80 + HB3 ASN 85 OK 42 46 90 100 2.8-7.2 2.1/11222=84...(22) QG2 ILE 80 + HB3 ASN 85 OK 40 40 100 100 2.5-5.7 3.1/11222=71...(22) QD2 LEU 119 + HB3 ASN 120 OK 35 100 35 99 2.7-7.4 3796/3.8=51, 10293=49...(28) QD2 LEU 119 + HB2 ASN 120 OK 25 100 25 99 4.0-7.0 3796/3.8=51...(29) QD1 LEU 122 + HB2 ASN 120 OK 25 87 40 71 5.3-9.0 7667/3.8=18...(16) QD1 LEU 122 + HB3 ASN 120 OK 23 86 40 68 5.4-8.9 7667/3.8=18...(13) QD1 LEU 53 + HB2 ASN 120 OK 22 100 45 49 4.4-9.1 11629/3.0=17...(10) QD1 LEU 53 + HB3 ASN 120 OK 22 99 45 48 3.4-9.5 11629/3.0=17...(10) QD2 LEU 122 - HB2 ASN 120 far 15 100 15 - 5.7-8.7 QD2 LEU 122 - HB3 ASN 120 far 5 100 5 - 5.3-8.6 QD1 LEU 103 - HB2 ASN 120 far 0 99 0 - 7.8-11.3 QD2 LEU 49 - HB3 ASN 120 far 0 98 0 - 8.4-12.3 QD2 LEU 49 - HB2 ASN 120 far 0 98 0 - 8.9-12.4 QD1 LEU 103 - HB3 ASN 120 far 0 99 0 - 9.0-11.7 QD1 LEU 96 - HB3 ASN 85 far 0 62 0 - 9.6-14.8 QD1 LEU 70 - HB2 ASN 120 far 0 73 0 - 9.7-14.7 QD1 LEU 70 - HB3 ASN 120 far 0 73 0 - 9.7-14.5 QD1 LEU 96 - HB3 ASN 120 far 0 91 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 10323 from aliabs.peaks (1.82, 4.48, 56.15 ppm; 6.04 A): 1 out of 3 assignments used, quality = 0.63: HB3 LEU 122 + HA ASN 121 OK 63 63 100 100 6.0-6.6 ~7724=57, ~7725=56...(20) HB2 LEU 100 - HA ASN 121 far 5 100 5 - 6.5-10.3 HB3 LEU 103 - HA ASN 121 far 0 71 0 - 9.3-12.0 Violated in 20 structures by 0.34 A. Peak 10324 from aliabs.peaks (0.90, 4.48, 56.15 ppm; 5.49 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 118 + HA ASN 121 OK 100 100 100 100 4.7-5.6 11602/3.0=86...(40) QD1 LEU 123 + HA ASN 121 OK 34 63 55 99 5.7-7.5 3.2/10323=81...(9) QD2 LEU 123 - HA ASN 121 poor 18 92 20 - 5.2-7.4 QD1 LEU 62 - HA ASN 121 far 9 90 10 - 6.7-11.6 QD2 LEU 98 - HA ASN 121 lone 3 92 35 10 5.8-10.2 11373/3837=2...(5) QD1 LEU 49 - HA ASN 121 far 0 92 0 - 7.8-10.3 QG2 VAL 63 - HA ASN 121 far 0 95 0 - 8.7-12.7 Violated in 0 structures by 0.00 A. Peak 10325 from aliabs.peaks (2.07, 2.98, 37.82 ppm; 6.17 A): 3 out of 7 assignments used, quality = 1.00: HB VAL 118 + HB3 ASN 121 OK 100 100 100 100 4.4-4.9 3.0/3735=99, 11543=99...(30) HG2 PRO 117 + HB3 ASN 121 OK 91 92 100 99 4.3-7.2 3729/3735=32, ~10242=31...(23) HG3 PRO 117 + HB3 ASN 121 OK 90 92 100 98 5.0-7.2 ~10242=31, ~11589=31...(23) HB2 GLU 102 - HB3 ASN 121 far 5 92 5 - 7.4-12.3 HB2 LEU 62 - HB3 ASN 121 far 0 98 0 - 8.6-14.3 HB2 GLN 127 - HB3 ASN 121 far 0 87 0 - 9.9-12.3 HG3 GLU 91 - HB3 ASN 121 far 0 71 0 - 10.0-17.5 Violated in 0 structures by 0.00 A. Peak 10327 from aliabs.peaks (0.98, 2.98, 37.82 ppm; 5.33 A): 1 out of 7 assignments used, quality = 0.73: QG2 VAL 118 + HB3 ASN 121 OK 73 73 100 100 2.8-3.7 3.2/3735=89...(32) QD2 LEU 53 - HB3 ASN 121 far 14 95 15 - 6.0-10.9 QG1 VAL 126 - HB3 ASN 121 far 11 76 15 - 6.4-9.4 QG2 VAL 126 - HB3 ASN 121 far 0 89 0 - 6.9-9.3 QD1 LEU 69 - HB3 ASN 121 far 0 60 0 - 7.5-13.1 QG1 VAL 112 - HB3 ASN 121 far 0 93 0 - 9.5-13.5 QG2 VAL 105 - HB3 ASN 121 far 0 60 0 - 9.5-13.0 Violated in 0 structures by 0.00 A. Peak 10337 from aliabs.peaks (1.38, 0.79, 25.94 ppm; 3.64 A): 3 out of 26 assignments used, quality = 1.00: HB3 LEU 100 + QD2 LEU 122 OK 98 99 100 99 1.6-4.1 3.2/11492=25...(68) HB2 LEU 96 + QD2 LEU 122 OK 60 100 65 92 1.8-7.0 3.0/3901=17, 3072=14...(55) HG LEU 96 + QD2 LEU 122 OK 44 90 60 82 3.1-8.6 3.7/3901=14, 3089=13...(35) HB3 LEU 100 - QD1 LEU 53 far 12 80 15 - 4.3-10.9 QB ALA 29 - QD1 LEU 53 far 4 83 5 - 4.6-16.8 QB ALA 108 - QD2 LEU 122 far 0 100 0 - 5.4-11.8 HB2 LEU 96 - QD1 LEU 53 far 0 84 0 - 6.0-9.6 QB ALA 110 - QD2 LEU 122 far 0 100 0 - 6.5-13.7 QB ALA 28 - QD1 LEU 53 far 0 83 0 - 6.5-18.2 QB ALA 110 - QD1 LEU 53 far 0 84 0 - 6.8-17.5 QB ALA 29 - QD2 LEU 122 far 0 100 0 - 6.9-11.8 QB ALA 108 - QD1 LEU 53 far 0 84 0 - 7.0-16.9 HG3 LYS 95 - QD2 LEU 122 far 0 100 0 - 7.0-9.9 QB ALA 109 - QD2 LEU 122 far 0 99 0 - 7.3-12.3 HG LEU 96 - QD1 LEU 53 far 0 70 0 - 7.4-11.7 HG2 LYS 95 - QD2 LEU 122 far 0 99 0 - 7.4-10.6 QB ALA 109 - QD1 LEU 53 far 0 82 0 - 8.7-14.2 QB ALA 16 - QD1 LEU 53 far 0 79 0 - 8.9-28.4 HG3 LYS 26 - QD1 LEU 53 far 0 84 0 - 8.9-23.1 HG3 LYS 26 - QD2 LEU 122 far 0 100 0 - 8.9-17.6 QB ALA 28 - QD2 LEU 122 far 0 100 0 - 9.2-12.8 QB ALA 12 - QD1 LEU 53 far 0 59 0 - 9.4-28.0 QB ALA 15 - QD1 LEU 53 far 0 84 0 - 9.4-28.8 HB2 LEU 42 - QD2 LEU 122 far 0 99 0 - 9.6-14.3 HG2 LYS 95 - QD1 LEU 53 far 0 81 0 - 9.7-13.4 HG3 LYS 95 - QD1 LEU 53 far 0 83 0 - 9.9-14.4 Violated in 1 structures by 0.02 A. Peak 10338 from aliabs.peaks (0.66, 0.97, 25.20 ppm; 3.21 A): 1 out of 3 assignments used, quality = 0.49: QD2 LEU 62 + QD2 LEU 53 OK 49 97 60 85 1.8-6.5 10038/1679=35...(16) QD2 LEU 100 - QD2 LEU 53 poor 19 95 20 - 2.6-11.2 QD1 ILE 129 - QD2 LEU 53 far 0 92 0 - 7.1-10.2 Violated in 11 structures by 1.14 A. Peak 10347 from aliabs.peaks (0.67, 0.93, 23.87 ppm; 3.90 A): 1 out of 8 assignments used, quality = 0.67: QD2 LEU 62 + QD1 LEU 123 OK 67 98 70 98 2.0-7.0 10348/2.1=38...(39) QD2 LEU 62 - QD1 LEU 48 poor 12 49 25 - 3.6-9.8 QD2 LEU 100 - QD1 LEU 123 far 0 97 0 - 5.9-9.7 QD2 LEU 100 - QD1 LEU 48 far 0 47 0 - 6.3-14.2 QD1 ILE 129 - QD1 LEU 123 far 0 89 0 - 6.4-8.4 QD1 LEU 43 - QD1 LEU 48 far 0 48 0 - 7.2-10.0 QD1 ILE 129 - QD1 LEU 48 far 0 41 0 - 7.5-11.7 QD1 LEU 43 - QD1 LEU 123 far 0 97 0 - 8.7-12.6 Violated in 11 structures by 0.95 A. Peak 10348 from aliabs.peaks (0.68, 0.88, 25.15 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 62 + QD2 LEU 123 OK 100 100 100 100 1.7-5.2 10347/2.1=74...(48) QD2 LEU 100 + QD2 LEU 123 OK 43 100 55 77 4.0-8.4 3.2/11421=60...(13) QD1 ILE 129 - QD2 LEU 123 far 0 60 0 - 5.9-8.5 QD1 LEU 43 - QD2 LEU 123 far 0 100 0 - 8.5-13.5 Violated in 4 structures by 0.06 A. Peak 10349 from aliabs.peaks (4.29, 0.88, 25.15 ppm; 5.06 A): 0 out of 7 assignments used, quality = 0.00: HA GLN 61 - QD2 LEU 123 far 0 90 0 - 6.7-11.6 HA THR 25 - QD2 LEU 123 far 0 100 0 - 7.6-19.4 HA ALA 16 - QD2 LEU 123 far 0 85 0 - 8.2-30.7 HA ASP 131 - QD2 LEU 123 far 0 95 0 - 8.9-12.7 HA LYS 26 - QD2 LEU 123 far 0 65 0 - 9.1-19.0 HA ALA 108 - QD2 LEU 123 far 0 87 0 - 9.1-15.0 HA ARG 23 - QD2 LEU 123 far 0 89 0 - 9.7-22.0 Violated in 20 structures by 2.76 A. Peak 10350 from aliabs.peaks (4.32, 0.73, 25.24 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.97: HA ASN 59 + QD2 LEU 103 OK 97 97 100 100 3.4-4.7 9362=55, 3.0/11829=53...(28) HA LEU 69 - QD2 LEU 103 far 0 73 0 - 10.0-13.5 Violated in 12 structures by 0.23 A. Peak 10355 from aliabs.peaks (2.80, 4.01, 62.31 ppm; 4.49 A): 3 out of 5 assignments used, quality = 0.97: HB2 ASN 120 + HB3 SER 124 OK 72 100 90 80 4.3-6.4 11626/3974=31, 10300=30...(11) HB2 ASN 121 + HB3 SER 124 OK 69 100 70 98 4.9-6.3 3.0/3974=75, ~3968=50...(13) HB3 ASN 120 + HB3 SER 124 OK 69 100 85 81 3.1-6.4 11626/3974=35, 10300=28...(11) HB2 ASN 120 - HA SER 50 far 0 61 0 - 8.2-12.1 HB3 ASN 120 - HA SER 50 far 0 61 0 - 8.8-13.3 Violated in 7 structures by 0.04 A. Peak 10371 from aliabs.peaks (1.61, 4.01, 62.31 ppm; 4.95 A): 0 out of 6 assignments used, quality = 0.00: HB2 LEU 122 - HB3 SER 124 far 5 100 5 - 6.4-7.9 HG LEU 122 - HB3 SER 124 far 5 99 5 - 6.3-8.7 HG LEU 122 - HA SER 50 far 3 59 5 - 6.4-11.0 HB2 LEU 122 - HA SER 50 far 0 61 0 - 8.2-11.5 HG LEU 119 - HA SER 50 far 0 55 0 - 8.5-15.1 HG LEU 119 - HB3 SER 124 far 0 97 0 - 9.1-11.1 Violated in 20 structures by 1.14 A. Peak 10373 from aliabs.peaks (0.78, 4.01, 62.31 ppm; 4.24 A): 3 out of 15 assignments used, quality = 0.79: QD1 LEU 53 + HA SER 50 OK 51 52 100 98 1.9-4.6 2.1/11725=38...(20) QD2 LEU 49 + HA SER 50 OK 46 47 100 99 4.6-5.4 6621/2.9=31, 1541/4.8=25...(36) QD1 LEU 53 + HB3 SER 124 OK 20 93 50 43 2.4-8.4 11585/3975=11...(16) QD1 LEU 122 - HB3 SER 124 poor 19 65 40 74 5.2-7.7 3.1/10371=25...(20) QD2 LEU 119 - HA SER 50 far 6 56 10 - 5.6-13.7 QD2 LEU 122 - HB3 SER 124 far 5 99 5 - 5.7-7.5 QD1 LEU 122 - HA SER 50 far 5 33 15 - 5.2-8.9 QD2 LEU 122 - HA SER 50 far 3 59 5 - 5.4-9.6 QD2 LEU 119 - HB3 SER 124 far 0 97 0 - 7.0-9.5 QD2 LEU 49 - HB3 SER 124 far 0 87 0 - 7.2-10.6 QD1 LEU 96 - HB3 SER 124 far 0 99 0 - 7.7-10.0 QD1 LEU 96 - HA SER 50 far 0 59 0 - 8.6-11.5 QD1 ILE 32 - HA SER 50 far 0 55 0 - 8.7-16.3 QD1 ILE 37 - HA SER 50 far 0 55 0 - 9.6-17.0 QD1 LEU 103 - HB3 SER 124 far 0 100 0 - 10.0-12.1 Violated in 1 structures by 0.00 A. Peak 10376 from aliabs.peaks (1.42, 4.36, 62.46 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.97: QB ALA 92 + HA CYS 125 OK 97 97 100 100 2.2-4.9 10444/3986=53...(28) HG LEU 96 - HA CYS 125 far 0 78 0 - 5.9-8.3 Violated in 1 structures by 0.03 A. Peak 10377 from aliabs.peaks (0.95, 4.36, 62.46 ppm; 5.88 A): 3 out of 4 assignments used, quality = 1.00: QG1 VAL 126 + HA CYS 125 OK 99 99 100 100 4.7-6.1 10395=72, ~11683=69...(31) QG2 VAL 126 + HA CYS 125 OK 96 96 100 100 4.8-6.2 11683/3.0=86...(30) QD1 LEU 123 + HA CYS 125 OK 33 71 65 73 6.2-8.6 ~11574=40, 10365/2.9=21...(6) QD2 LEU 53 - HA CYS 125 far 14 90 15 - 6.0-11.4 Violated in 0 structures by 0.00 A. Peak 10378 from aliabs.peaks (0.79, 4.36, 62.46 ppm; 4.54 A): 2 out of 6 assignments used, quality = 0.65: QD1 LEU 96 + HA CYS 125 OK 42 93 45 100 4.6-7.0 9987/3.0=67...(31) QD2 LEU 122 + HA CYS 125 OK 40 100 40 100 5.1-8.5 9259=61, 11828/3.0=58...(26) QD1 LEU 122 - HA CYS 125 far 8 85 10 - 5.8-8.1 QD1 LEU 53 - HA CYS 125 far 5 99 5 - 6.0-9.0 QD1 LEU 70 - HA CYS 125 far 0 71 0 - 6.4-10.8 QD2 LEU 49 - HA CYS 125 far 0 97 0 - 7.3-9.5 Violated in 20 structures by 0.88 A. Peak 10379 from aliabs.peaks (0.64, 4.36, 62.46 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + HA CYS 125 OK 100 100 100 100 3.5-4.5 10383/3.0=81...(30) QD1 LEU 42 - HA CYS 125 far 0 96 0 - 8.5-12.1 Violated in 0 structures by 0.00 A. Peak 10380 from aliabs.peaks (1.41, 2.73, 26.80 ppm; 4.10 A): 3 out of 5 assignments used, quality = 0.97: QB ALA 92 + HB2 CYS 125 OK 86 87 100 99 2.2-4.8 10376/3.0=54...(23) HG LEU 96 + HB2 CYS 125 OK 75 93 80 100 3.9-6.4 ~9987=52, 11827/1.8=45...(31) HG2 LYS 95 + HB2 CYS 125 OK 29 76 40 95 3.4-7.3 2.9/11651=31...(19) HG3 LYS 95 - HB2 CYS 125 far 10 68 15 - 1.8-7.8 QB ALA 110 - HB2 CYS 125 far 0 60 0 - 8.2-21.5 Violated in 1 structures by 0.00 A. Peak 10381 from aliabs.peaks (0.96, 2.73, 26.80 ppm; 4.37 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 126 + HB2 CYS 125 OK 100 100 100 100 3.1-5.9 11683/1.8=78, 11684=78...(25) QG1 VAL 126 + HB2 CYS 125 OK 99 100 100 100 3.1-5.5 2.1/11684=59, ~11683=53...(25) QD2 LEU 53 - HB2 CYS 125 far 0 100 0 - 7.1-11.8 QD1 LEU 119 - HB2 CYS 125 far 0 76 0 - 8.3-12.6 QG2 ILE 37 - HB2 CYS 125 far 0 65 0 - 9.5-16.0 Violated in 7 structures by 0.14 A. Peak 10382 from aliabs.peaks (0.78, 2.73, 26.80 ppm; 3.62 A): 3 out of 8 assignments used, quality = 0.91: QD1 LEU 96 + HB2 CYS 125 OK 77 97 80 99 2.5-5.7 9987/1.8=63, 9986=37...(31) QD2 LEU 122 + HB2 CYS 125 OK 48 100 50 96 3.0-7.4 10387/1.8=33...(23) QD1 LEU 122 + HB2 CYS 125 OK 25 76 35 93 3.4-7.1 3.1/11653=29...(21) QD1 LEU 70 - HB2 CYS 125 poor 12 60 20 - 4.2-9.1 QD2 LEU 49 - HB2 CYS 125 far 0 93 0 - 6.2-9.7 QD1 LEU 53 - HB2 CYS 125 far 0 97 0 - 6.6-9.4 QD2 LEU 119 - HB2 CYS 125 far 0 99 0 - 9.0-12.6 QG1 VAL 63 - HB2 CYS 125 far 0 100 0 - 9.8-13.5 Violated in 12 structures by 0.38 A. Peak 10383 from aliabs.peaks (0.65, 2.73, 26.80 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 129 + HB2 CYS 125 OK 100 100 100 100 2.6-3.9 10388/1.8=75...(25) QD2 LEU 100 - HB2 CYS 125 far 0 65 0 - 6.6-9.6 QD2 LEU 62 - HB2 CYS 125 far 0 71 0 - 7.0-11.3 QD1 LEU 42 - HB2 CYS 125 far 0 87 0 - 8.3-12.3 Violated in 0 structures by 0.00 A. Peak 10384 from aliabs.peaks (2.09, 3.20, 26.80 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.85: HB VAL 126 + HB3 CYS 125 OK 79 93 85 100 3.9-6.6 2.1/11683=83...(23) HB2 GLU 128 + HB3 CYS 125 OK 28 93 30 100 5.0-7.4 3986/3.0=69, ~11463=44...(20) HG3 GLU 91 - HB3 CYS 125 poor 10 100 25 39 5.7-12.1 11398/9927=15...(6) HB VAL 118 - HB3 CYS 125 far 0 60 0 - 8.4-11.9 Violated in 11 structures by 0.37 A. Peak 10385 from aliabs.peaks (1.39, 3.20, 26.80 ppm; 4.45 A): 4 out of 7 assignments used, quality = 1.00: HG LEU 96 + HB3 CYS 125 OK 95 100 95 100 3.3-6.1 2.1/9987=82, 2.1/9989=67...(28) HB2 LEU 96 + HB3 CYS 125 OK 93 93 100 100 2.0-4.2 3.2/9987=68, 3.2/9989=56...(38) HG2 LYS 95 + HB3 CYS 125 OK 48 99 50 96 3.4-7.7 3.0/11597=31...(18) HG3 LYS 95 + HB3 CYS 125 OK 28 98 30 96 3.4-8.0 3.0/11597=31...(19) HB3 LEU 100 - HB3 CYS 125 far 4 81 5 - 5.7-8.5 QB ALA 110 - HB3 CYS 125 far 0 96 0 - 7.3-21.7 QB ALA 108 - HB3 CYS 125 far 0 92 0 - 9.2-19.2 Violated in 0 structures by 0.00 A. Peak 10386 from aliabs.peaks (0.94, 3.20, 26.80 ppm; 4.23 A): 2 out of 8 assignments used, quality = 0.98: QG1 VAL 126 + HB3 CYS 125 OK 88 93 95 100 3.0-6.1 2.1/11683=70...(25) QG2 VAL 126 + HB3 CYS 125 OK 78 83 95 100 4.2-5.8 11683=69, 4.0/7795=45...(24) QD1 LEU 123 - HB3 CYS 125 far 0 89 0 - 6.3-9.2 QD1 LEU 49 - HB3 CYS 125 far 0 57 0 - 6.3-8.5 QD2 LEU 53 - HB3 CYS 125 far 0 73 0 - 7.0-11.1 QD1 LEU 62 - HB3 CYS 125 far 0 60 0 - 7.4-12.0 QD1 LEU 119 - HB3 CYS 125 far 0 100 0 - 9.6-12.9 QG2 ILE 37 - HB3 CYS 125 far 0 99 0 - 9.7-16.1 Violated in 6 structures by 0.12 A. Peak 10387 from aliabs.peaks (0.78, 3.20, 26.80 ppm; 3.60 A): 2 out of 8 assignments used, quality = 0.78: QD1 LEU 96 + HB3 CYS 125 OK 59 99 60 100 3.2-5.7 9987=74, 2.1/9989=42...(27) QD2 LEU 122 + HB3 CYS 125 OK 47 100 50 94 3.0-7.7 11828/1.8=39...(22) QD1 LEU 122 - HB3 CYS 125 poor 18 71 25 - 3.7-7.1 QD2 LEU 49 - HB3 CYS 125 far 0 90 0 - 6.2-8.7 QD1 LEU 53 - HB3 CYS 125 far 0 96 0 - 6.2-9.0 QD1 LEU 103 - HB3 CYS 125 far 0 100 0 - 9.2-13.2 QD2 LEU 119 - HB3 CYS 125 far 0 99 0 - 9.4-11.9 QG1 VAL 63 - HB3 CYS 125 far 0 100 0 - 10.0-13.0 Violated in 14 structures by 0.45 A. Peak 10388 from aliabs.peaks (0.65, 3.20, 26.80 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 129 + HB3 CYS 125 OK 100 100 100 100 2.6-4.4 11716=94, 10383/1.8=82...(23) QD2 LEU 100 - HB3 CYS 125 far 0 65 0 - 6.2-9.4 QD2 LEU 62 - HB3 CYS 125 far 0 71 0 - 6.4-11.3 QD1 LEU 42 - HB3 CYS 125 far 0 87 0 - 7.8-12.7 Violated in 0 structures by 0.00 A. Peak 10391 from aliabs.peaks (3.43, 4.36, 62.46 ppm; 6.47 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 126 + HA CYS 125 OK 100 100 100 100 4.8-4.9 5.0=100 HA ILE 129 + HA CYS 125 OK 83 83 100 100 5.8-7.1 5.0/11590=80...(16) Violated in 0 structures by 0.00 A. Peak 10393 from aliabs.peaks (3.86, 0.96, 22.63 ppm; 3.31 A): 1 out of 4 assignments used, quality = 0.89: HA LEU 123 + QG1 VAL 126 OK 89 99 100 89 1.7-4.2 3917/2.1=40, 3916/4.0=24...(22) HA LEU 70 - QG1 VAL 126 poor 15 73 45 46 2.8-6.4 2.9/11665=13...(9) HB3 SER 50 - QG1 VAL 126 far 0 78 0 - 5.0-8.9 HA LEU 62 - QG1 VAL 126 far 0 78 0 - 6.7-8.9 Violated in 7 structures by 0.11 A. Peak 10394 from aliabs.peaks (3.98, 0.96, 22.63 ppm; 3.43 A): 1 out of 13 assignments used, quality = 0.51: HA GLN 127 + QG1 VAL 126 OK 51 89 60 96 2.9-5.4 2.9/4020=28, ~7809=26...(25) HA SER 50 - QG1 VAL 126 far 14 97 15 - 3.9-7.6 HB3 SER 124 - QG1 VAL 126 far 0 65 0 - 5.3-7.9 HB2 SER 124 - QG1 VAL 126 far 0 100 0 - 5.4-8.3 HB3 SER 99 - QG1 VAL 126 far 0 96 0 - 5.5-8.5 HA THR 65 - QG1 VAL 126 far 0 92 0 - 5.6-8.4 HA LEU 100 - QG1 VAL 126 far 0 81 0 - 5.8-8.5 HA GLN 68 - QG1 VAL 126 far 0 89 0 - 6.2-10.1 HB3 SER 107 - QG1 VAL 126 far 0 68 0 - 8.3-15.3 HB3 SER 51 - QG1 VAL 126 far 0 100 0 - 8.5-11.7 HB3 SER 94 - QG1 VAL 126 far 0 95 0 - 8.5-10.9 HA GLU 91 - QG1 VAL 126 far 0 96 0 - 9.3-11.9 HA LEU 103 - QG1 VAL 126 far 0 60 0 - 9.8-12.2 Violated in 10 structures by 0.80 A. Peak 10395 from aliabs.peaks (4.35, 0.96, 22.63 ppm; 4.65 A): 2 out of 6 assignments used, quality = 1.00: HA CYS 125 + QG1 VAL 126 OK 100 100 100 100 4.7-6.1 3.6/4015=52, ~11683=45...(31) HA LEU 69 + QG1 VAL 126 OK 36 100 50 72 4.0-8.2 10901/10409=26...(11) HA ASP 47 - QG1 VAL 126 far 9 93 10 - 5.8-9.5 HA CYS 73 - QG1 VAL 126 far 3 68 5 - 6.1-9.3 HA ASN 59 - QG1 VAL 126 far 0 89 0 - 9.0-11.4 HA2 GLY 75 - QG1 VAL 126 far 0 68 0 - 9.7-13.3 Violated in 13 structures by 0.12 A. Peak 10396 from aliabs.peaks (3.87, 0.96, 24.06 ppm; 3.71 A): 3 out of 8 assignments used, quality = 0.98: HA LEU 123 + QG2 VAL 126 OK 81 85 100 96 1.7-4.8 10393/2.1=62...(20) HA ALA 46 + QG2 VAL 126 OK 78 78 100 100 2.7-4.9 2.1/11616=66, ~10409=48...(23) HA LEU 70 + QG2 VAL 126 OK 39 97 60 67 2.3-7.1 11709/11692=25...(13) HB3 SER 50 - QG2 VAL 126 far 5 98 5 - 4.9-8.5 HA2 GLY 2 - QG2 VAL 126 far 0 68 0 - 7.6-57.6 HA3 GLY 2 - QG2 VAL 126 far 0 65 0 - 8.9-57.8 HB2 SER 94 - QG2 VAL 126 far 0 60 0 - 9.1-12.0 HA3 GLY 75 - QG2 VAL 126 far 0 76 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 10397 from aliabs.peaks (4.01, 0.96, 24.06 ppm; 4.04 A): 2 out of 10 assignments used, quality = 0.59: HA LEU 122 + QG2 VAL 126 OK 39 68 60 94 3.8-6.1 3.0/11678=42, ~11749=22...(19) HA SER 50 + QG2 VAL 126 OK 33 89 45 83 4.2-7.5 ~11601=36, ~11666=29...(14) HB3 SER 124 - QG2 VAL 126 poor 18 100 30 60 5.3-8.3 3.0/10398=32...(11) HB2 SER 124 - QG2 VAL 126 far 11 73 15 - 5.3-8.6 HA LEU 119 - QG2 VAL 126 far 0 96 0 - 5.6-8.9 HB3 SER 99 - QG2 VAL 126 far 0 90 0 - 5.9-8.9 HA GLN 68 - QG2 VAL 126 far 0 97 0 - 6.3-9.9 HA LYS 95 - QG2 VAL 126 far 0 97 0 - 7.3-10.3 HA ILE 37 - QG2 VAL 126 far 0 99 0 - 7.4-14.2 HA GLU 44 - QG2 VAL 126 far 0 63 0 - 8.5-10.4 Violated in 13 structures by 0.75 A. Peak 10398 from aliabs.peaks (4.23, 0.96, 24.06 ppm; 5.31 A): 1 out of 10 assignments used, quality = 0.61: HA SER 124 + QG2 VAL 126 OK 61 90 70 97 3.9-7.2 3965/4.4=57, 7791/4.0=37...(15) HA HIS 67 - QG2 VAL 126 poor 14 83 65 26 4.8-8.5 11012/10396=10...(4) HA SER 94 - QG2 VAL 126 far 0 97 0 - 7.9-11.0 HA SER 99 - QG2 VAL 126 far 0 100 0 - 7.9-10.9 HA SER 51 - QG2 VAL 126 far 0 97 0 - 8.1-11.3 HA ALA 29 - QG2 VAL 126 far 0 100 0 - 8.5-14.3 HA ALA 34 - QG2 VAL 126 far 0 95 0 - 8.8-16.3 HA ALA 28 - QG2 VAL 126 far 0 89 0 - 9.5-16.6 HA GLN 27 - QG2 VAL 126 far 0 83 0 - 9.7-17.5 HA GLU 30 - QG2 VAL 126 far 0 96 0 - 9.7-17.0 Violated in 12 structures by 0.89 A. Peak 10401 from aliabs.peaks (0.80, 3.43, 67.09 ppm; 4.01 A): 6 out of 12 assignments used, quality = 0.99: QD1 LEU 96 + HA VAL 126 OK 74 76 100 98 1.9-4.9 2.1/11807=52, 11452=32...(28) QG2 ILE 129 + HA VAL 126 OK 63 63 100 100 3.7-4.8 2.1/4007=65...(28) QD2 LEU 122 + HA VAL 126 OK 61 97 65 96 3.5-7.7 9259/5.0=26, 1676/3.2=18...(37) QD2 LEU 49 + HA VAL 126 OK 60 100 65 92 4.3-6.3 11061/11052=33...(15) QD1 LEU 70 + HA VAL 126 OK 28 90 55 57 3.6-7.9 ~11083=10, 11681/3.2=8...(15) QD1 LEU 122 + HA VAL 126 OK 23 97 25 94 3.8-6.9 11613/3.2=22...(29) QD1 LEU 53 - HA VAL 126 far 0 100 0 - 6.1-8.4 QD1 ILE 37 - HA VAL 126 far 0 63 0 - 7.9-12.3 QG2 ILE 80 - HA VAL 126 far 0 85 0 - 8.2-13.2 QD2 LEU 119 - HA VAL 126 far 0 99 0 - 9.5-12.4 QD1 ILE 32 - HA VAL 126 far 0 63 0 - 9.6-14.1 QG1 VAL 63 - HA VAL 126 far 0 93 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 10402 from aliabs.peaks (0.65, 3.43, 67.09 ppm; 3.84 A): 1 out of 5 assignments used, quality = 1.00: QD1 ILE 129 + HA VAL 126 OK 100 100 100 100 1.6-2.4 11639=90, 11692/3.2=48...(29) QD1 LEU 42 - HA VAL 126 far 9 87 10 - 4.6-9.1 QD2 LEU 100 - HA VAL 126 far 0 65 0 - 7.3-9.7 QD2 LEU 62 - HA VAL 126 far 0 71 0 - 7.6-9.6 QD1 LEU 43 - HA VAL 126 far 0 68 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10403 from aliabs.peaks (1.35, 3.43, 67.09 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.99: QB ALA 46 + HA VAL 126 OK 95 95 100 100 3.6-5.6 11616/3.2=98...(19) HB2 LEU 96 + HA VAL 126 OK 63 63 100 100 2.2-5.0 3.2/11807=91...(40) HB3 LEU 100 + HA VAL 126 OK 44 81 75 73 7.1-9.4 ~11678=23, 3.0/10406=18...(10) HB2 LEU 42 - HA VAL 126 far 0 81 0 - 8.5-11.0 QB ALA 29 - HA VAL 126 far 0 68 0 - 9.4-15.9 Violated in 0 structures by 0.00 A. Peak 10404 from aliabs.peaks (1.42, 3.43, 67.09 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 92 + HA VAL 126 OK 99 99 100 100 3.6-4.8 10491/10402=88...(20) HG LEU 96 + HA VAL 126 OK 71 71 100 100 4.0-5.6 2.1/11807=82...(31) QB ALA 34 - HA VAL 126 far 0 99 0 - 9.1-16.8 Violated in 0 structures by 0.00 A. Peak 10406 from aliabs.peaks (1.75, 3.43, 67.09 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.98: HG13 ILE 129 + HA VAL 126 OK 98 98 100 100 3.8-4.9 2.1/10402=99...(29) HG LEU 100 - HA VAL 126 far 0 83 0 - 7.1-10.7 Violated in 0 structures by 0.00 A. Peak 10407 from aliabs.peaks (0.79, 2.11, 31.38 ppm; 3.78 A): 5 out of 12 assignments used, quality = 1.00: QD2 LEU 49 + HB VAL 126 OK 78 97 95 84 2.0-5.5 11614/2.1=24, ~11615=23...(11) QD1 LEU 96 + HB VAL 126 OK 78 93 90 93 1.9-5.3 11453=31, 11452/3.0=31...(19) QD2 LEU 122 + HB VAL 126 OK 74 100 80 93 1.7-7.6 1676/2.1=21, 1676/2.1=21...(29) QD1 LEU 122 + HB VAL 126 OK 63 85 80 92 1.8-6.1 11613/2.1=22...(25) QD1 LEU 70 + HB VAL 126 OK 20 71 60 48 1.8-7.9 3.8/4008=8, 11613/2.1=8...(13) QD1 LEU 53 - HB VAL 126 poor 20 99 20 - 4.4-7.7 QD1 ILE 37 - HB VAL 126 far 0 85 0 - 6.7-12.6 QD2 LEU 119 - HB VAL 126 far 0 100 0 - 8.0-10.7 QG1 VAL 63 - HB VAL 126 far 0 100 0 - 8.3-10.7 QD1 LEU 103 - HB VAL 126 far 0 99 0 - 8.5-13.9 QD1 ILE 32 - HB VAL 126 far 0 85 0 - 8.8-12.4 QG2 ILE 80 - HB VAL 126 far 0 63 0 - 9.2-15.3 Violated in 0 structures by 0.00 A. Peak 10409 from aliabs.peaks (1.34, 0.96, 22.63 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.66: QB ALA 46 + QG1 VAL 126 OK 66 100 70 94 2.3-5.3 11616/2.1=40, 9175=40...(20) QB ALA 21 - QG1 VAL 126 far 0 100 0 - 9.8-22.8 Violated in 16 structures by 0.99 A. Peak 10410 from aliabs.peaks (0.66, 0.96, 22.63 ppm; 3.82 A): 3 out of 4 assignments used, quality = 0.95: QD1 ILE 129 + QG1 VAL 126 OK 92 92 100 100 3.0-4.7 10402/3.2=52...(38) QD2 LEU 62 + QG1 VAL 126 OK 28 97 75 38 4.0-6.1 1998/10393=17...(8) QD2 LEU 100 + QG1 VAL 126 OK 22 95 55 43 4.7-6.7 ~11678=13, 3257/11665=6...(12) QD1 LEU 43 - QG1 VAL 126 far 0 96 0 - 8.0-10.7 Violated in 4 structures by 0.03 A. Peak 10435 from aliabs.peaks (0.91, 2.34, 33.53 ppm; 4.10 A): 2 out of 37 assignments used, quality = 1.00: QD1 LEU 123 + HG2 GLN 127 OK 97 97 100 100 1.7-5.5 11638=95, 11637/1.8=79...(19) QD1 LEU 49 + HG2 GLN 127 OK 95 100 100 95 2.2-4.1 10437/1.8=42...(19) QD1 LEU 48 - HG2 GLN 27 far 14 96 15 - 3.0-19.6 QD1 LEU 62 - HG2 GLN 27 far 10 97 10 - 4.9-19.0 QG2 VAL 63 - HG2 GLN 27 far 10 96 10 - 2.4-18.0 QG2 VAL 63 - HG3 GLN 27 far 10 95 10 - 3.5-17.4 QD1 LEU 48 - HG3 GLN 27 far 10 95 10 - 2.0-18.6 QD2 LEU 48 - HG2 GLN 27 far 8 79 10 - 4.4-20.9 QD2 LEU 48 - HG3 GLN 27 far 8 78 10 - 3.8-20.2 QG2 VAL 20 - HG2 GLN 27 far 7 74 10 - 5.1-14.5 QD1 LEU 62 - HG3 GLN 27 far 5 96 5 - 5.2-18.2 QG1 VAL 118 - HG2 GLN 27 far 4 74 5 - 5.3-20.4 QD1 LEU 22 - HG3 GLN 27 far 3 59 5 - 5.2-14.5 QG2 VAL 20 - HG3 GLN 27 far 0 74 0 - 5.7-13.8 QG1 VAL 20 - HG2 GLN 27 far 0 95 0 - 5.8-16.7 QD1 LEU 22 - HG2 GLN 27 far 0 60 0 - 5.9-15.2 QD1 LEU 48 - HG2 GLN 127 far 0 100 0 - 6.4-10.1 QG1 VAL 118 - HG3 GLN 27 far 0 74 0 - 6.4-19.2 QG1 VAL 20 - HG3 GLN 27 far 0 95 0 - 6.6-16.0 QD1 LEU 62 - HG2 GLN 127 far 0 100 0 - 7.0-9.8 QG1 VAL 118 - HG2 GLN 127 far 0 81 0 - 7.1-10.4 QD2 LEU 48 - HG2 GLN 127 far 0 85 0 - 7.3-9.3 QD1 LEU 49 - HG3 GLN 27 far 0 96 0 - 7.6-20.4 QG1 VAL 57 - HG3 GLN 27 far 0 57 0 - 7.8-23.6 QD1 LEU 49 - HG2 GLN 27 far 0 97 0 - 7.8-21.5 QD1 LEU 119 - HG2 GLN 27 far 0 67 0 - 7.8-23.6 QG1 VAL 57 - HG2 GLN 27 far 0 57 0 - 8.2-24.2 QD1 LEU 119 - HG3 GLN 27 far 0 67 0 - 8.3-22.8 QG2 VAL 112 - HG2 GLN 27 far 0 93 0 - 8.4-29.0 QG2 ILE 37 - HG3 GLN 27 far 0 76 0 - 8.4-17.4 QG2 VAL 112 - HG3 GLN 27 far 0 92 0 - 8.7-27.9 QG2 ILE 37 - HG2 GLN 127 far 0 83 0 - 8.7-15.3 QD1 LEU 119 - HG2 GLN 127 far 0 73 0 - 8.7-11.0 QG2 ILE 37 - HG2 GLN 27 far 0 77 0 - 9.0-16.6 QG1 VAL 20 - HG2 GLN 127 far 0 99 0 - 9.0-29.7 QD1 LEU 123 - HG3 GLN 27 far 0 90 0 - 9.7-22.2 QG1 VAL 57 - HG2 GLN 127 far 0 63 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 10436 from aliabs.peaks (0.92, 2.05, 27.71 ppm; 3.93 A): 4 out of 28 assignments used, quality = 0.98: QD1 LEU 49 + HB2 GLN 127 OK 86 100 100 86 3.3-5.2 10437/3.0=31...(15) QD1 LEU 123 + HB2 GLN 127 OK 67 98 70 98 2.7-7.5 11637/3.0=59...(18) QG1 VAL 57 + HG3 PRO 58 OK 44 44 100 100 3.6-4.6 9309/2.3=44, 9308/2.3=43...(27) QG2 VAL 112 + HG3 PRO 113 OK 28 79 35 100 4.1-6.1 10131/2.3=72...(45) QD1 LEU 62 - HG3 PRO 113 far 8 81 10 - 4.8-11.3 QD1 LEU 119 - HG3 PRO 113 far 6 57 10 - 3.8-11.1 QG2 VAL 63 - HG3 PRO 113 far 4 80 5 - 5.2-13.2 QD1 LEU 22 - HG3 PRO 58 far 2 38 5 - 3.9-27.7 QG1 VAL 57 - HG3 PRO 113 far 0 48 0 - 5.6-15.1 QD1 LEU 62 - HG3 PRO 58 far 0 75 0 - 5.6-7.7 QG2 VAL 112 - HG3 PRO 58 far 0 73 0 - 6.4-16.5 QG1 VAL 20 - HG3 PRO 58 far 0 72 0 - 6.5-29.0 QD1 LEU 119 - HG3 PRO 58 far 0 52 0 - 6.7-13.4 QG2 VAL 63 - HG3 PRO 58 far 0 74 0 - 6.7-8.3 QD2 LEU 48 - HG3 PRO 58 far 0 54 0 - 7.2-13.7 QD1 LEU 48 - HB2 GLN 127 far 0 99 0 - 7.3-11.7 QG2 VAL 20 - HG3 PRO 58 far 0 50 0 - 7.5-26.8 QD2 LEU 48 - HB2 GLN 127 far 0 81 0 - 8.0-10.4 QG1 VAL 118 - HB2 GLN 127 far 0 76 0 - 8.1-12.0 QD1 LEU 123 - HG3 PRO 58 far 0 71 0 - 8.2-14.7 QD1 LEU 123 - HG3 PRO 113 far 0 77 0 - 8.5-17.1 QG1 VAL 118 - HG3 PRO 113 far 0 55 0 - 8.5-13.5 QD1 LEU 62 - HB2 GLN 127 far 0 100 0 - 8.6-11.7 QD2 LEU 48 - HG3 PRO 113 far 0 59 0 - 9.0-21.3 QD1 LEU 48 - HG3 PRO 58 far 0 73 0 - 9.3-14.3 QG1 VAL 118 - HG3 PRO 58 far 0 50 0 - 9.7-15.8 QD1 LEU 49 - HG3 PRO 58 far 0 75 0 - 9.7-12.8 QG2 ILE 37 - HB2 GLN 127 far 0 87 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 10437 from aliabs.peaks (0.92, 2.48, 33.53 ppm; 3.59 A): 2 out of 10 assignments used, quality = 0.99: QD1 LEU 123 + HG3 GLN 127 OK 94 99 95 99 1.6-6.0 11637=80, 11638/1.8=64...(20) QD1 LEU 49 + HG3 GLN 127 OK 88 99 100 89 1.7-4.9 10727/1.8=31...(17) QD1 LEU 48 - HG3 GLN 127 far 0 97 0 - 5.9-10.2 QD2 LEU 48 - HG3 GLN 127 far 0 73 0 - 6.9-10.3 QD1 LEU 62 - HG3 GLN 127 far 0 99 0 - 7.1-10.2 QG2 ILE 37 - HG3 GLN 127 far 0 92 0 - 7.8-16.1 QG1 VAL 118 - HG3 GLN 127 far 0 68 0 - 7.9-11.1 QD1 LEU 119 - HG3 GLN 127 far 0 85 0 - 8.8-12.0 QG1 VAL 20 - HG3 GLN 127 far 0 97 0 - 9.1-29.9 QG1 VAL 57 - HG3 GLN 127 far 0 76 0 - 9.5-13.9 Violated in 1 structures by 0.03 A. Peak 10442 from aliabs.peaks (1.14, 4.19, 59.09 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.98: QG2 VAL 132 + HA GLU 128 OK 94 100 95 99 3.8-6.1 4.0/7908=46...(15) QG1 VAL 132 + HA GLU 128 OK 73 99 75 98 3.7-6.6 4.0/7908=47...(15) HG12 ILE 32 - HA HIS 67 far 0 35 0 - 7.1-13.4 HB3 LEU 62 - HA HIS 67 far 0 44 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 10443 from aliabs.peaks (0.83, 4.19, 59.09 ppm; 4.73 A): 2 out of 11 assignments used, quality = 1.00: QG2 ILE 129 + HA GLU 128 OK 100 100 100 100 6.0-6.1 9946/11693=58...(22) QD1 LEU 70 + HA HIS 67 OK 39 39 100 100 2.0-4.9 11102=88, 2.1/11104=78...(24) QD1 LEU 122 - HA HIS 67 poor 16 32 50 - 3.2-7.7 QD2 LEU 49 - HA HIS 67 poor 11 22 50 - 5.5-8.1 QG2 ILE 32 - HA HIS 67 poor 8 40 20 - 4.9-11.8 QG1 VAL 133 - HA GLU 128 far 0 95 0 - 6.3-6.9 QD2 LEU 49 - HA GLU 128 far 0 60 0 - 7.9-9.5 QD1 LEU 122 - HA GLU 128 far 0 83 0 - 8.7-11.3 QD1 LEU 70 - HA GLU 128 far 0 93 0 - 8.9-13.3 QG2 ILE 129 - HA HIS 67 far 0 46 0 - 9.2-11.0 QG2 ILE 80 - HA GLU 128 far 0 97 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 10444 from aliabs.peaks (1.43, 2.08, 28.58 ppm; 4.11 A): 1 out of 17 assignments used, quality = 1.00: QB ALA 92 + HB2 GLU 128 OK 100 100 100 100 2.2-4.3 10446/3.0=69...(17) HG13 ILE 32 - HB3 GLU 44 poor 15 74 20 - 4.3-17.8 HG2 LYS 26 - HB3 GLU 44 far 4 74 5 - 4.3-29.1 HG2 LYS 26 - HB2 GLN 61 far 3 69 5 - 3.2-26.3 HG13 ILE 32 - HB2 GLN 61 far 3 69 5 - 4.6-19.6 HG2 LYS 31 - HB3 GLU 44 far 2 41 5 - 5.5-23.8 HG2 LYS 26 - HB2 GLU 102 far 0 100 0 - 5.8-30.3 HG2 LYS 86 - HB3 GLN 82 far 0 56 0 - 6.7-9.2 HG3 LYS 36 - HB3 GLU 44 far 0 37 0 - 6.8-15.5 HG3 LYS 24 - HB2 GLN 61 far 0 54 0 - 7.9-24.5 HG3 LYS 24 - HB3 GLU 44 far 0 58 0 - 8.0-27.0 HG3 LYS 19 - HB3 GLU 44 far 0 71 0 - 8.1-36.8 HG3 LYS 19 - HB2 GLN 61 far 0 66 0 - 8.5-32.9 HG3 LYS 24 - HB2 GLU 102 far 0 86 0 - 8.5-37.0 QB ALA 34 - HB3 GLU 44 far 0 63 0 - 8.7-12.8 HG2 LYS 31 - HB2 GLN 61 far 0 38 0 - 8.9-24.4 HG3 LYS 36 - HB2 GLN 61 far 0 34 0 - 9.2-22.7 Violated in 3 structures by 0.02 A. Peak 10445 from aliabs.peaks (1.42, 2.23, 28.58 ppm; 4.84 A): 2 out of 18 assignments used, quality = 0.98: QB ALA 92 + HB3 GLU 128 OK 93 93 100 100 2.0-5.2 10444/1.8=83...(21) HG LEU 96 + HB3 GLU 97 OK 68 68 100 100 4.6-6.0 11461/1.8=56, ~11451=51...(47) HG13 ILE 32 - HB2 GLN 68 poor 16 46 35 - 3.5-10.5 QB ALA 34 - HB2 GLN 68 far 8 53 15 - 4.9-12.8 HG2 LYS 26 - HB3 GLU 102 far 5 91 5 - 5.4-29.6 HG2 LYS 95 - HB3 GLU 128 far 3 65 5 - 5.9-10.4 QB ALA 109 - HB3 GLU 102 far 3 61 5 - 6.2-14.0 HG2 LYS 26 - HB2 GLN 68 far 0 43 0 - 7.9-21.5 HG LEU 96 - HB3 GLU 128 far 0 87 0 - 7.9-10.7 HG2 LYS 26 - HB3 GLU 97 far 0 73 0 - 8.2-27.2 HG2 LYS 95 - HB3 GLU 97 far 0 49 0 - 8.5-10.1 HG13 ILE 32 - HB3 GLU 97 far 0 76 0 - 8.5-20.1 QB ALA 109 - HB2 GLN 68 far 0 26 0 - 8.6-19.5 QB ALA 92 - HB3 GLU 97 far 0 74 0 - 8.8-10.2 QB ALA 16 - HB3 GLU 102 far 0 72 0 - 9.2-37.4 HG LEU 96 - HB2 GLN 68 far 0 40 0 - 9.4-13.5 QB ALA 109 - HB3 GLU 97 far 0 47 0 - 9.7-17.0 HG LEU 96 - HB3 GLU 102 far 0 85 0 - 9.9-12.4 Violated in 1 structures by 0.00 A. Peak 10446 from aliabs.peaks (1.43, 2.34, 34.22 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.55: QB ALA 92 + HG2 GLU 128 OK 55 100 55 100 1.9-6.7 11399=77, 10447/1.8=71...(19) Violated in 12 structures by 1.00 A. Peak 10447 from aliabs.peaks (1.44, 2.42, 34.22 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.79: QB ALA 92 + HG3 GLU 128 OK 79 99 80 99 2.3-6.3 10446/1.8=70, 9949=48...(17) Violated in 12 structures by 0.82 A. Peak 10449 from aliabs.peaks (2.87, 2.42, 34.22 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.99: HB3 ASP 131 + HG3 GLU 128 OK 99 100 100 100 3.4-6.1 4086/4111=71...(14) HE2 LYS 95 - HG3 GLU 128 far 5 100 5 - 5.8-13.7 HE3 LYS 95 - HG3 GLU 128 far 0 100 0 - 6.9-12.8 Violated in 12 structures by 0.51 A. Peak 10450 from aliabs.peaks (2.77, 2.42, 34.22 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASP 131 + HG3 GLU 128 OK 100 100 100 100 3.8-6.1 1.8/10449=88...(13) HB2 CYS 73 - HG3 GLU 128 far 0 60 0 - 7.5-12.7 Violated in 13 structures by 0.38 A. Peak 10451 from aliabs.peaks (3.46, 2.42, 34.22 ppm; 5.67 A): 2 out of 2 assignments used, quality = 1.00: HA ILE 129 + HG3 GLU 128 OK 100 100 100 100 3.0-6.7 2.9/4116=89...(23) HA VAL 126 + HG3 GLU 128 OK 35 78 45 99 6.3-8.4 5.0/11698=67...(13) Violated in 5 structures by 0.13 A. Peak 10453 from aliabs.peaks (8.27, 0.65, 14.48 ppm; 3.98 A): 2 out of 10 assignments used, quality = 1.00: H LEU 96 + QD1 ILE 129 OK 99 100 100 100 3.4-4.9 9982=70, 7311/10461=47...(27) H VAL 126 + QD1 ILE 129 OK 99 99 100 100 3.2-3.9 2.9/11639=66...(44) H ASP 131 - QD1 ILE 129 far 10 100 10 - 5.0-6.1 H LEU 69 - QD1 ILE 129 far 0 65 0 - 6.8-9.5 H LEU 123 - QD1 ILE 129 far 0 100 0 - 7.1-7.9 H SER 99 - QD1 ILE 129 far 0 83 0 - 7.3-8.6 H LEU 43 - QD1 ILE 129 far 0 90 0 - 8.2-10.0 H ALA 29 - QD1 ILE 129 far 0 76 0 - 8.3-17.5 H LEU 49 - QD1 ILE 129 far 0 60 0 - 8.5-10.7 H GLU 30 - QD1 ILE 129 far 0 100 0 - 9.6-17.0 Violated in 0 structures by 0.00 A. Peak 10454 from aliabs.peaks (8.46, 0.65, 14.48 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.76: H VAL 93 + QD1 ILE 129 OK 76 76 100 100 2.3-3.9 2.9/10461=71...(22) H LEU 70 - QD1 ILE 129 far 15 100 15 - 5.3-8.0 H VAL 132 - QD1 ILE 129 far 5 95 5 - 5.4-6.5 H LEU 100 - QD1 ILE 129 far 0 63 0 - 7.2-8.4 H ASP 47 - QD1 ILE 129 far 0 100 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 10455 from aliabs.peaks (7.84, 0.65, 14.48 ppm; 5.15 A): 1 out of 4 assignments used, quality = 0.78: H ALA 92 + QD1 ILE 129 OK 78 78 100 100 3.3-4.7 3.0/10491=96...(33) H ALA 88 - QD1 ILE 129 far 0 90 0 - 7.3-9.1 H GLN 68 - QD1 ILE 129 far 0 78 0 - 8.7-11.1 H GLU 102 - QD1 ILE 129 far 0 90 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10456 from aliabs.peaks (7.40, 0.65, 14.48 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 89 + QD1 ILE 129 OK 99 99 100 100 3.5-5.3 10457/4163=66...(23) Violated in 4 structures by 0.07 A. Peak 10457 from aliabs.peaks (7.40, 0.82, 16.85 ppm; 3.76 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 89 + QG2 ILE 129 OK 99 100 100 100 2.0-2.6 11891/10486=44...(32) QE PHE 89 + QG2 ILE 80 OK 29 87 35 96 2.2-6.4 9749/3.1=37, ~9747=29...(27) QE PHE 89 - QG2 ILE 32 far 0 55 0 - 8.3-13.9 Violated in 0 structures by 0.00 A. Peak 10458 from aliabs.peaks (7.41, 3.45, 66.06 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QE PHE 89 + HA ILE 129 OK 100 100 100 100 4.4-5.3 2.2/10459=100...(25) QE PHE 89 + HA VAL 77 OK 85 85 100 100 2.8-4.3 9676/3.2=99, 9671/3.0=99...(31) Violated in 0 structures by 0.00 A. Peak 10459 from aliabs.peaks (7.07, 3.45, 66.06 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 89 + HA ILE 129 OK 100 100 100 100 3.2-4.5 2.2/10458=97...(26) QD PHE 89 + HA VAL 77 OK 86 86 100 100 3.1-4.0 9677/3.2=100...(32) Violated in 0 structures by 0.00 A. Peak 10461 from aliabs.peaks (3.25, 0.65, 14.48 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: HA VAL 93 + QD1 ILE 129 OK 100 100 100 100 1.7-3.6 9966=82, 2919/10487=61...(47) HB2 PHE 87 - QD1 ILE 129 far 0 65 0 - 9.0-10.8 HD3 ARG 135 - QD1 ILE 129 far 0 83 0 - 9.5-11.5 HB3 PHE 87 - QD1 ILE 129 far 0 83 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 10462 from aliabs.peaks (2.92, 0.65, 14.48 ppm; 6.12 A): 0 out of 3 assignments used, quality = 0.00: HB2 CYS 45 - QD1 ILE 129 far 10 99 10 - 7.6-10.8 HD2 ARG 135 - QD1 ILE 129 far 0 100 0 - 9.0-12.2 HE3 LYS 86 - QD1 ILE 129 far 0 63 0 - 9.3-12.7 Violated in 20 structures by 2.01 A. Peak 10463 from aliabs.peaks (2.74, 0.65, 14.48 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: HB2 CYS 73 + QD1 ILE 129 OK 99 100 100 99 1.9-5.2 9959/10487=54...(26) HB2 CYS 125 + QD1 ILE 129 OK 97 97 100 100 2.6-3.9 10383=81, 1.8/10388=67...(25) HB2 TYR 76 - QD1 ILE 129 far 0 76 0 - 5.9-9.7 HB2 ASP 131 - QD1 ILE 129 far 0 65 0 - 6.2-8.0 HB2 ASP 47 - QD1 ILE 129 far 0 73 0 - 9.0-12.3 HB3 ASP 78 - QD1 ILE 129 far 0 89 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 10467 from aliabs.peaks (3.78, 0.65, 14.48 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.96: HA SER 130 + QD1 ILE 129 OK 84 99 85 100 5.5-6.0 2.9/7887=42...(28) HA ARG 90 + QD1 ILE 129 OK 74 85 90 97 4.4-6.6 9953/10487=48...(15) HB3 SER 130 - QD1 ILE 129 far 5 99 5 - 5.4-6.9 HA GLU 97 - QD1 ILE 129 far 0 87 0 - 6.2-7.3 HA LEU 43 - QD1 ILE 129 far 0 100 0 - 6.8-8.4 HB2 SER 99 - QD1 ILE 129 far 0 85 0 - 7.3-9.1 HA VAL 133 - QD1 ILE 129 far 0 96 0 - 7.7-8.7 HA VAL 118 - QD1 ILE 129 far 0 68 0 - 9.4-10.9 Violated in 19 structures by 0.42 A. Peak 10468 from aliabs.peaks (4.07, 0.65, 14.48 ppm; 4.03 A): 3 out of 7 assignments used, quality = 1.00: HA ALA 92 + QD1 ILE 129 OK 93 93 100 100 3.4-4.3 2.1/10491=89...(39) HA PHE 89 + QD1 ILE 129 OK 87 89 100 98 3.3-5.2 2897/10491=56...(23) HA LEU 96 + QD1 ILE 129 OK 81 92 90 99 3.7-5.8 2.9/9982=53...(32) HA LEU 122 - QD1 ILE 129 poor 12 60 20 - 4.9-6.4 HB2 SER 74 - QD1 ILE 129 far 0 95 0 - 5.6-8.1 HB3 SER 74 - QD1 ILE 129 far 0 98 0 - 5.8-9.3 HB THR 65 - QD1 ILE 129 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 10469 from aliabs.peaks (4.33, 0.65, 14.48 ppm; 4.82 A): 1 out of 6 assignments used, quality = 0.76: HA CYS 125 + QD1 ILE 129 OK 76 76 100 100 3.5-4.5 3.0/10383=71...(26) HA LEU 69 - QD1 ILE 129 far 5 92 5 - 5.9-9.0 HA ASP 131 - QD1 ILE 129 far 0 71 0 - 7.5-8.4 HA ASP 47 - QD1 ILE 129 far 0 100 0 - 8.1-10.9 HA TYR 76 - QD1 ILE 129 far 0 68 0 - 8.4-10.8 HA2 GLY 75 - QD1 ILE 129 far 0 99 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 10470 from aliabs.peaks (3.79, 3.45, 66.06 ppm; 6.19 A): 6 out of 10 assignments used, quality = 1.00: HA SER 130 + HA ILE 129 OK 92 92 100 100 4.7-4.9 ~7883=70, ~4143=65...(29) HB3 SER 130 + HA ILE 129 OK 90 90 100 100 5.7-6.5 ~10503=64, 10507/3.0=52...(21) HA VAL 133 + HA ILE 129 OK 83 83 100 100 6.0-6.7 3.2/10479=91...(25) HA ARG 90 + HA VAL 77 OK 80 80 100 100 4.9-6.3 11192/2401=98...(18) HA ARG 90 + HA ILE 129 OK 76 97 80 98 6.6-8.4 9886/10459=57...(10) HA VAL 133 + HA VAL 77 OK 59 65 95 94 5.9-7.8 10590/9725=58, ~11199=52...(13) HA LEU 43 - HA ILE 129 far 0 97 0 - 7.7-9.1 HB3 SER 9 - HA VAL 77 far 0 79 0 - 8.1-49.7 HA SER 130 - HA VAL 77 far 0 74 0 - 8.1-9.9 HB2 SER 9 - HA VAL 77 far 0 55 0 - 9.8-49.0 Violated in 0 structures by 0.00 A. Peak 10471 from aliabs.peaks (3.89, 3.45, 66.06 ppm; 6.80 A): 3 out of 8 assignments used, quality = 1.00: HA LYS 86 + HA ILE 129 OK 88 100 95 93 6.9-8.6 11327/10459=74...(10) HA LYS 86 + HA VAL 77 OK 86 86 100 100 3.7-5.5 9818/3.2=100...(26) HA3 GLY 75 + HA VAL 77 OK 84 84 100 100 6.2-6.9 ~11147=72, ~9603=67...(10) HA LEU 70 - HA ILE 129 far 5 100 5 - 7.9-10.3 HA2 GLY 2 - HA ILE 129 far 5 97 5 - 8.1-73.6 HA3 GLY 2 - HA ILE 129 far 5 97 5 - 8.2-74.1 HA ALA 46 - HA ILE 129 far 0 99 0 - 8.6-10.7 HA LEU 70 - HA VAL 77 far 0 85 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 10472 from aliabs.peaks (4.10, 3.45, 66.06 ppm; 6.80 A): 4 out of 5 assignments used, quality = 1.00: HA PHE 89 + HA ILE 129 OK 89 89 100 100 2.6-4.1 3.1/10459=96...(23) HA CYS 79 + HA VAL 77 OK 86 86 100 100 5.9-6.4 2.9/9702=98, 3.6/9712=91...(16) HA PHE 89 + HA VAL 77 OK 71 71 100 100 5.7-6.9 3.1/9667=85, ~9677=80...(25) HA ILE 80 + HA VAL 77 OK 61 61 100 100 3.7-5.6 3.0/9712=96, 4.2/9725=91...(28) HA ILE 80 - HA ILE 129 far 4 78 5 - 8.2-10.8 Violated in 0 structures by 0.00 A. Peak 10473 from aliabs.peaks (4.36, 3.45, 66.06 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: HA CYS 125 + HA ILE 129 OK 100 100 100 100 5.8-7.1 10376/10478=91...(15) HA CYS 73 + HA ILE 129 OK 85 90 95 99 6.3-8.5 11145/10458=65...(17) HA CYS 73 + HA VAL 77 OK 73 73 100 100 4.6-5.9 11125/3.6=80...(19) HA ASP 78 + HA VAL 77 OK 59 59 100 100 4.6-4.8 3.6/9702=94...(29) HA SER 9 - HA VAL 77 far 0 67 0 - 8.5-49.5 HA GLN 134 - HA ILE 129 far 0 99 0 - 9.0-9.8 HA ASP 47 - HA ILE 129 far 0 73 0 - 9.4-12.6 HA LEU 69 - HA ILE 129 far 0 95 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 10478 from aliabs.peaks (1.43, 3.45, 66.06 ppm; 4.85 A): 2 out of 6 assignments used, quality = 1.00: QB ALA 92 + HA ILE 129 OK 100 100 100 100 2.8-3.8 9946/3.2=83...(27) HG2 LYS 86 + HA VAL 77 OK 76 76 100 100 3.3-5.5 11742/2401=83...(36) QB ALA 34 - HA VAL 77 poor 15 77 20 - 5.8-14.7 QB ALA 92 - HA VAL 77 far 0 86 0 - 7.4-8.5 HG2 LYS 86 - HA ILE 129 far 0 93 0 - 9.0-11.4 QB ALA 34 - HA ILE 129 far 0 95 0 - 9.4-17.4 Violated in 0 structures by 0.00 A. Peak 10481 from aliabs.peaks (1.42, 0.82, 16.85 ppm; 4.33 A): 4 out of 15 assignments used, quality = 1.00: QB ALA 92 + QG2 ILE 129 OK 100 100 100 100 3.1-4.2 9946=97, 10491/4163=85...(41) HG2 LYS 86 + QG2 ILE 80 OK 81 81 100 100 1.9-4.5 9720/3.1=66, 9713/2.1=51...(47) HG13 ILE 32 + QG2 ILE 32 OK 55 55 100 100 1.9-3.2 3.2=100 QB ALA 34 + QG2 ILE 32 OK 43 51 90 94 4.6-6.5 5.0/10851=38...(11) HG2 LYS 26 - QG2 ILE 32 poor 17 54 40 81 2.7-14.9 892/3.2=14, ~10704=10...(37) HG LEU 96 - QG2 ILE 129 poor 16 65 25 - 5.3-7.4 QB ALA 34 - QG2 ILE 80 far 12 82 15 - 5.5-15.4 HG3 LYS 24 - QG2 ILE 32 far 2 35 5 - 4.0-16.0 QB ALA 34 - QG2 ILE 129 far 0 97 0 - 5.9-12.6 QB ALA 92 - QG2 ILE 80 far 0 86 0 - 6.3-8.7 HG2 LYS 86 - QG2 ILE 129 far 0 97 0 - 6.5-8.4 HG LEU 96 - QG2 ILE 32 far 0 30 0 - 8.5-14.8 HG3 LYS 19 - QG2 ILE 32 far 0 48 0 - 9.2-24.2 HG13 ILE 32 - QG2 ILE 129 far 0 100 0 - 9.6-16.0 HG LEU 96 - QG2 ILE 80 far 0 51 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 10482 from aliabs.peaks (1.02, 0.82, 16.85 ppm; 3.20 A): 3 out of 7 assignments used, quality = 0.89: QD1 LEU 69 + QG2 ILE 129 OK 62 89 75 93 2.9-6.0 11039/10486=36...(20) QG2 VAL 133 + QG2 ILE 129 OK 61 89 70 98 3.8-5.1 10587/10486=38...(36) QG2 VAL 133 + QG2 ILE 80 OK 28 72 40 95 3.6-7.7 10588/3.1=33...(41) QD1 LEU 69 - QG2 ILE 32 far 2 44 5 - 4.6-9.3 QD1 LEU 69 - QG2 ILE 80 far 0 72 0 - 6.4-11.3 QG2 VAL 133 - QG2 ILE 32 far 0 44 0 - 8.1-13.3 QG2 VAL 105 - QG2 ILE 32 far 0 44 0 - 9.0-17.0 Violated in 17 structures by 0.36 A. Peak 10483 from aliabs.peaks (1.43, 0.75, 30.23 ppm; 4.65 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 92 + HG12 ILE 129 OK 100 100 100 100 1.6-2.9 10491/2.1=98...(27) HG LEU 96 + HG12 ILE 129 OK 25 63 40 98 5.1-7.9 ~11354=34, ~11454=29...(28) HG2 LYS 86 - HG12 ILE 129 far 0 96 0 - 8.7-11.4 QB ALA 34 - HG12 ILE 129 far 0 97 0 - 10.0-17.7 Violated in 0 structures by 0.00 A. Peak 10485 from aliabs.peaks (0.27, 3.45, 66.06 ppm; 5.24 A): 4 out of 4 assignments used, quality = 1.00: QG2 VAL 93 + HA ILE 129 OK 87 92 95 100 4.0-7.3 10487/4123=68...(35) QD1 ILE 80 + HA VAL 77 OK 83 83 100 100 1.7-2.9 9725=89, 2.1/9728=69...(52) QD1 ILE 80 + HA ILE 129 OK 79 99 80 100 4.9-9.1 9747/10459=59...(31) QG2 VAL 93 + HA VAL 77 OK 74 74 100 100 4.2-5.9 9969/2401=72...(21) Violated in 0 structures by 0.00 A. Peak 10486 from aliabs.peaks (0.56, 0.82, 16.85 ppm; 3.21 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 42 + QG2 ILE 129 OK 98 100 100 98 1.7-4.6 9081=46, 9086/2.1=34...(34) QD2 LEU 42 - QG2 ILE 80 poor 17 86 20 - 3.5-8.3 QD2 LEU 42 - QG2 ILE 32 far 0 54 0 - 6.6-10.6 Violated in 7 structures by 0.19 A. Peak 10487 from aliabs.peaks (0.29, 0.65, 14.48 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QD1 ILE 129 OK 100 100 100 100 1.7-3.9 9967=70, 2919/10461=42...(60) QD1 ILE 80 - QD1 ILE 129 far 0 63 0 - 5.4-8.9 Violated in 2 structures by 0.06 A. Peak 10488 from aliabs.peaks (0.28, 1.74, 30.23 ppm; 5.78 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG13 ILE 129 OK 100 100 100 100 1.8-5.1 10487/2.1=98...(36) QD1 ILE 80 + HG13 ILE 129 OK 70 85 90 91 4.7-9.7 10485/3.7=33...(17) Violated in 0 structures by 0.00 A. Peak 10489 from aliabs.peaks (0.99, 0.65, 14.48 ppm; 3.41 A): 2 out of 4 assignments used, quality = 0.87: QG2 VAL 126 + QD1 ILE 129 OK 73 73 100 99 2.7-4.3 3.2/11639=46, 11692=38...(36) QD1 LEU 69 + QD1 ILE 129 OK 53 78 70 96 2.9-5.8 11038=50, 2.1/11713=49...(19) QD2 LEU 53 - QD1 ILE 129 far 0 83 0 - 7.1-10.2 QG2 VAL 118 - QD1 ILE 129 far 0 89 0 - 8.2-9.9 Violated in 6 structures by 0.11 A. Peak 10490 from aliabs.peaks (1.14, 0.65, 14.48 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 129 OK 100 100 100 100 3.7-5.1 11737=95, 9947/10491=36...(34) QG1 VAL 132 + QD1 ILE 129 OK 25 99 25 99 4.8-6.8 2.1/11737=69...(30) HG2 LYS 39 - QD1 ILE 129 far 0 100 0 - 9.9-12.4 Violated in 19 structures by 0.45 A. Peak 10491 from aliabs.peaks (1.43, 0.65, 14.48 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 92 + QD1 ILE 129 OK 100 100 100 100 1.7-2.7 9944=80, 11317/2.1=46...(34) QB ALA 34 - QD1 ILE 129 far 0 95 0 - 7.1-14.6 HG2 LYS 86 - QD1 ILE 129 far 0 93 0 - 8.6-11.1 HG13 ILE 32 - QD1 ILE 129 far 0 100 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 10492 from aliabs.peaks (2.24, 0.65, 14.48 ppm; 3.88 A): 2 out of 8 assignments used, quality = 1.00: HB3 LEU 96 + QD1 ILE 129 OK 99 100 100 99 1.9-4.6 3.8/9982=41...(42) HB3 GLU 128 + QD1 ILE 129 OK 92 95 100 97 3.6-5.3 4.5/7873=40, ~11696=34...(26) HB3 GLN 127 - QD1 ILE 129 far 4 78 5 - 5.1-7.2 HG2 GLU 97 - QD1 ILE 129 far 0 100 0 - 5.8-7.4 HB3 GLU 97 - QD1 ILE 129 far 0 71 0 - 7.4-8.4 HG2 GLN 68 - QD1 ILE 129 far 0 60 0 - 7.9-12.0 HG2 GLU 30 - QD1 ILE 129 far 0 68 0 - 8.1-19.4 HB2 GLN 68 - QD1 ILE 129 far 0 68 0 - 9.3-12.5 Violated in 2 structures by 0.01 A. Peak 10493 from aliabs.peaks (2.40, 0.65, 14.48 ppm; 5.16 A): 2 out of 3 assignments used, quality = 0.89: HG3 GLU 97 + QD1 ILE 129 OK 78 100 80 98 5.7-7.6 1.8/10012=52...(12) HG3 GLU 128 + QD1 ILE 129 OK 51 73 70 100 4.0-7.0 9949/10491=80...(15) HG2 GLN 101 - QD1 ILE 129 far 0 60 0 - 8.6-11.5 Violated in 10 structures by 0.23 A. Peak 10494 from aliabs.peaks (7.13, 3.77, 62.38 ppm; 6.80 A): 0 out of 1 assignment used, quality = 0.00: QD TYR 72 - HB3 SER 130 poor 18 97 30 63 6.9-10.2 9527/11643=32...(6) Violated in 20 structures by 1.76 A. Peak 10495 from aliabs.peaks (6.89, 3.77, 62.38 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 10496 from aliabs.peaks (8.47, 3.77, 62.38 ppm; 6.31 A): 2 out of 3 assignments used, quality = 1.00: H VAL 132 + HB3 SER 130 OK 100 100 100 100 5.0-5.7 7910/3.9=86, ~4180=64...(19) H ASP 47 + HB3 SER 130 OK 90 90 100 99 3.9-6.8 3.7/10508=93...(14) H LEU 70 - HB3 SER 130 far 0 98 0 - 8.6-12.3 Violated in 0 structures by 0.00 A. Peak 10503 from aliabs.peaks (2.02, 3.82, 62.38 ppm; 4.74 A): 3 out of 11 assignments used, quality = 0.95: HB ILE 129 + HB2 SER 130 OK 73 76 100 97 3.9-5.1 4.6/7889=60...(16) HB2 GLN 127 + HB2 SER 50 OK 68 71 100 95 2.2-6.0 3.0/11609=24...(21) HB2 GLN 127 + HB2 SER 130 OK 48 76 65 96 4.7-6.6 ~4181=57, ~4181=50...(12) HB ILE 129 - HB2 SER 50 far 0 71 0 - 7.5-11.2 HB2 GLN 134 - HB2 SER 130 far 0 100 0 - 7.7-9.1 HB2 GLU 44 - HB2 SER 130 far 0 100 0 - 8.0-9.1 HG3 ARG 135 - HB2 SER 130 far 0 99 0 - 8.8-12.2 HB3 GLU 55 - HB2 SER 50 far 0 86 0 - 9.1-12.9 HG3 PRO 81 - HB2 SER 130 far 0 73 0 - 9.7-14.1 HB3 GLU 40 - HB2 SER 130 far 0 100 0 - 10.0-12.9 HB2 GLU 44 - HB2 SER 50 far 0 98 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 10507 from aliabs.peaks (2.02, 3.77, 62.38 ppm; 5.51 A): 2 out of 6 assignments used, quality = 0.93: HB ILE 129 + HB3 SER 130 OK 90 90 100 100 4.1-5.8 10503/1.8=79...(18) HB2 GLN 134 + HB3 SER 130 OK 33 100 35 94 6.4-8.9 4.3/10494=56...(14) HB2 GLU 44 - HB3 SER 130 far 0 100 0 - 7.5-9.4 HG3 ARG 135 - HB3 SER 130 far 0 93 0 - 7.9-11.2 HB3 GLU 40 - HB3 SER 130 far 0 100 0 - 9.2-13.0 HB3 LEU 53 - HB3 SER 130 far 0 71 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 10508 from aliabs.peaks (1.33, 3.77, 62.38 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.98: QB ALA 46 + HB3 SER 130 OK 98 99 100 99 1.7-3.5 9176/10509=64...(20) Violated in 0 structures by 0.00 A. Peak 10509 from aliabs.peaks (0.75, 3.77, 62.38 ppm; 3.88 A): 1 out of 7 assignments used, quality = 0.92: QD2 LEU 43 + HB3 SER 130 OK 92 97 95 100 1.7-5.4 11720/1.8=77...(36) QD2 LEU 96 - HB3 SER 130 far 0 100 0 - 6.2-10.9 HG12 ILE 129 - HB3 SER 130 far 0 99 0 - 6.5-8.4 QD1 ILE 37 - HB3 SER 130 far 0 93 0 - 6.9-13.3 QD1 LEU 96 - HB3 SER 130 far 0 85 0 - 7.5-10.5 QD1 ILE 32 - HB3 SER 130 far 0 93 0 - 8.0-15.9 QG1 VAL 93 - HB3 SER 130 far 0 100 0 - 8.8-10.9 Violated in 8 structures by 0.23 A. Peak 10514 from aliabs.peaks (2.07, 2.77, 40.78 ppm; 4.68 A): 3 out of 9 assignments used, quality = 1.00: HB2 GLU 128 + HB2 ASP 131 OK 97 97 100 100 4.8-5.8 3.0/4195=79...(17) HG3 GLN 134 + HB2 ASP 131 OK 87 99 90 98 4.7-6.3 ~4194=37, ~4194=37...(16) HB2 GLN 127 + HB2 ASP 131 OK 26 81 55 59 4.5-7.5 4079/4195=28...(8) HB3 LYS 39 - HB2 TYR 76 far 14 96 15 - 4.7-9.2 HG3 PRO 81 - HB2 TYR 76 far 0 80 0 - 8.1-11.2 HG3 GLN 134 - HB2 TYR 76 far 0 97 0 - 8.8-14.8 HG3 PRO 81 - HB2 ASP 131 far 0 83 0 - 9.0-13.4 HB2 PRO 81 - HB2 TYR 76 far 0 81 0 - 9.1-12.1 HB3 LYS 39 - HB2 ASP 131 far 0 98 0 - 9.7-15.9 Violated in 5 structures by 0.04 A. Peak 10515 from aliabs.peaks (2.39, 2.86, 40.78 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.63: HG3 GLU 128 + HB3 ASP 131 OK 63 63 100 100 3.4-6.1 3.9/4086=99...(14) Violated in 0 structures by 0.00 A. Peak 10516 from aliabs.peaks (2.29, 2.86, 40.78 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.54: HB VAL 132 + HB3 ASP 131 OK 54 98 55 100 5.5-6.9 7917/7915=73...(17) Violated in 20 structures by 1.56 A. Peak 10517 from aliabs.peaks (2.06, 2.86, 40.78 ppm; 4.96 A): 4 out of 6 assignments used, quality = 0.99: HG3 GLN 134 + HB3 ASP 131 OK 86 92 95 99 4.5-6.5 ~4194=42, ~4194=42...(14) HB2 GLU 128 + HB3 ASP 131 OK 85 85 100 100 4.6-5.9 3.0/4086=86...(15) HG3 ARG 135 + HB3 ASP 131 OK 34 60 80 70 5.0-7.6 10525/7915=26...(7) HB2 GLN 127 + HB3 ASP 131 OK 31 95 60 55 4.7-7.1 4079/4086=30, ~11730=14...(7) HG3 PRO 81 - HB3 ASP 131 far 0 96 0 - 8.4-13.5 HB3 LYS 39 - HB3 ASP 131 far 0 89 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 10518 from aliabs.peaks (1.14, 2.86, 40.78 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 132 + HB3 ASP 131 OK 96 97 100 100 3.1-5.0 2.1/10516=57...(26) QG2 VAL 132 + HB3 ASP 131 OK 85 100 85 100 2.9-5.9 2.1/10516=57...(26) HG2 LYS 39 - HB3 ASP 131 far 0 100 0 - 8.2-14.1 HG3 LYS 39 - HB3 ASP 131 far 0 78 0 - 9.1-14.7 Violated in 5 structures by 0.01 A. Peak 10519 from aliabs.peaks (3.48, 2.86, 40.78 ppm; 5.34 A): 2 out of 3 assignments used, quality = 0.95: HA VAL 132 + HB3 ASP 131 OK 78 78 100 100 4.0-5.5 3.0/7915=93...(15) HA ILE 129 + HB3 ASP 131 OK 78 78 100 100 4.9-5.7 5.0/4086=67...(16) HA LEU 42 - HB3 ASP 131 far 0 99 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 10520 from aliabs.peaks (3.79, 2.86, 40.78 ppm; 5.56 A): 3 out of 5 assignments used, quality = 0.99: HA SER 130 + HB3 ASP 131 OK 89 89 100 100 5.5-6.1 3.6/7904=95...(15) HB3 SER 130 + HB3 ASP 131 OK 86 87 100 99 4.2-6.8 4.6/7904=82...(13) HB2 SER 130 + HB3 ASP 131 OK 56 57 100 98 4.7-6.8 4.6/7904=82...(8) HA LEU 43 - HB3 ASP 131 poor 10 95 25 43 6.4-9.2 1339/3.8=24...(5) HA VAL 133 - HB3 ASP 131 far 0 78 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 10521 from aliabs.peaks (3.48, 2.76, 40.83 ppm; 6.69 A): 3 out of 4 assignments used, quality = 0.99: HA VAL 132 + HB2 ASP 131 OK 86 86 100 100 4.0-5.6 3.0/7914=100, ~7915=92...(19) HA LEU 42 + HB2 TYR 76 OK 85 96 90 99 5.7-8.8 4.1/9617=90...(5) HA ILE 129 + HB2 ASP 131 OK 63 63 100 100 5.2-6.0 5.0/4085=89...(17) HA ILE 129 - HB2 TYR 76 poor 19 65 40 72 7.5-12.0 4.2/9617=19...(12) Violated in 0 structures by 0.00 A. Peak 10526 from aliabs.peaks (2.03, 3.50, 66.53 ppm; 4.19 A): 2 out of 6 assignments used, quality = 1.00: HG3 ARG 135 + HA VAL 132 OK 100 100 100 100 1.8-4.5 11783=99, 1.8/10527=76...(30) HB2 GLN 134 + HA VAL 132 OK 24 95 30 85 4.9-7.3 4.4/10624=46...(9) HG2 PRO 81 - HA VAL 132 poor 13 65 20 - 4.9-8.3 HG3 PRO 81 - HA VAL 132 far 9 90 10 - 4.7-8.8 HB2 PRO 81 - HA VAL 132 far 0 58 0 - 6.6-10.8 HB2 GLN 127 - HA VAL 132 far 0 92 0 - 9.6-10.9 Violated in 1 structures by 0.01 A. Peak 10527 from aliabs.peaks (1.69, 3.50, 66.53 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.99: HG2 ARG 135 + HA VAL 132 OK 99 99 100 100 1.9-3.8 10019=94, 1.8/11783=80...(29) HD3 LYS 39 - HA VAL 132 far 0 85 0 - 8.2-15.5 HB2 LEU 43 - HA VAL 132 far 0 98 0 - 8.5-11.2 HD2 LYS 39 - HA VAL 132 far 0 90 0 - 8.8-15.4 Violated in 0 structures by 0.00 A. Peak 10528 from aliabs.peaks (2.76, 3.50, 66.53 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.97: HB2 ASP 131 + HA VAL 132 OK 97 97 100 100 4.0-5.6 7914/3.0=89, ~7915=67...(18) HB2 CYS 73 - HA VAL 132 far 0 87 0 - 9.7-13.1 Violated in 11 structures by 0.20 A. Peak 10529 from aliabs.peaks (2.92, 3.50, 66.53 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: HD2 ARG 135 + HA VAL 132 OK 100 100 100 100 1.9-4.7 10636=85, 1.8/10530=73...(29) HE3 LYS 39 - HA VAL 132 far 0 100 0 - 7.5-14.6 HE2 LYS 39 - HA VAL 132 far 0 100 0 - 8.0-13.3 Violated in 1 structures by 0.03 A. Peak 10530 from aliabs.peaks (3.24, 3.50, 66.53 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.97: HD3 ARG 135 + HA VAL 132 OK 97 97 100 100 1.8-4.3 10635=92, 1.8/10529=81...(29) HB3 HIS 4 - HA VAL 132 far 0 96 0 - 6.5-73.0 HB2 PHE 87 - HA VAL 132 far 0 89 0 - 8.5-12.3 HB3 PHE 87 - HA VAL 132 far 0 97 0 - 9.1-11.6 Violated in 1 structures by 0.00 A. Peak 10531 from aliabs.peaks (0.81, 1.13, 22.78 ppm; 3.84 A): 5 out of 16 assignments used, quality = 0.99: QG2 ILE 129 + QG1 VAL 132 OK 90 90 100 100 3.5-5.1 9862/10533=34, ~11737=31...(44) QG2 ILE 129 + QG2 VAL 132 OK 59 59 100 99 2.1-3.4 3.0/10490=43...(46) QG2 ILE 80 + QG2 VAL 132 OK 43 70 65 95 2.9-6.9 ~9722=28, 11237/9790=21...(37) QG2 ILE 80 + QG1 VAL 132 OK 39 99 40 97 4.7-7.1 11237/10535=29, ~9722=28...(36) HG13 ILE 80 + QG2 VAL 132 OK 27 71 40 94 4.2-7.5 ~9722=36, 2.1/11656=25...(36) HG13 ILE 80 - QG1 VAL 132 far 15 100 15 - 4.9-9.5 QD2 LEU 49 - QG2 VAL 132 far 0 66 0 - 7.9-10.1 QD1 LEU 53 - QG1 VAL 132 far 0 92 0 - 8.1-12.7 QD2 LEU 122 - QG2 VAL 132 far 0 49 0 - 8.2-11.6 QD1 LEU 70 - QG2 VAL 132 far 0 71 0 - 8.4-10.8 QD1 LEU 122 - QG2 VAL 132 far 0 72 0 - 8.6-11.2 QD1 LEU 70 - QG1 VAL 132 far 0 100 0 - 8.7-12.2 QD2 LEU 122 - QG1 VAL 132 far 0 78 0 - 8.8-13.4 QD1 LEU 53 - QG2 VAL 132 far 0 61 0 - 9.1-12.3 QD2 LEU 49 - QG1 VAL 132 far 0 97 0 - 9.2-10.9 QD1 LEU 122 - QG1 VAL 132 far 0 100 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 10532 from aliabs.peaks (0.81, 2.28, 31.42 ppm; 5.10 A): 3 out of 15 assignments used, quality = 1.00: QG2 ILE 80 + HB VAL 132 OK 95 99 100 95 4.4-6.6 3.1/9722=35, ~11738=29...(19) QG2 ILE 129 + HB VAL 132 OK 90 90 100 100 3.5-5.8 3.2/4126=74, ~11737=56...(21) HG13 ILE 80 + HB VAL 132 OK 57 100 60 95 3.9-9.7 2.1/9722=41, ~11738=37...(19) QD2 LEU 119 - HB3 PRO 113 poor 16 65 25 - 2.9-10.3 QD1 LEU 103 - HB3 PRO 113 poor 12 49 25 - 2.4-10.3 QD1 LEU 122 - HB3 PRO 113 far 4 84 5 - 5.8-14.8 QG1 VAL 63 - HB VAL 105 far 2 33 5 - 6.5-8.8 QD1 LEU 103 - HB VAL 105 far 2 32 5 - 6.4-8.4 QG1 VAL 63 - HB3 PRO 113 far 0 51 0 - 7.1-14.0 QD1 LEU 53 - HB3 PRO 113 far 0 72 0 - 7.3-16.4 QD2 LEU 122 - HB3 PRO 113 far 0 59 0 - 7.4-15.0 QD1 LEU 70 - HB VAL 105 far 0 58 0 - 8.0-12.9 QD2 LEU 122 - HB VAL 105 far 0 39 0 - 9.6-13.0 QD1 LEU 122 - HB VAL 105 far 0 59 0 - 9.8-13.3 QD2 LEU 49 - HB3 PRO 113 far 0 78 0 - 9.9-16.9 Violated in 1 structures by 0.00 A. Peak 10533 from aliabs.peaks (1.66, 1.13, 22.78 ppm; 3.18 A): 2 out of 19 assignments used, quality = 1.00: QB ALA 88 + QG1 VAL 132 OK 98 100 100 98 1.8-3.4 9861=50, 9861/2.1=35...(30) QB ALA 88 + QG2 VAL 132 OK 71 72 100 98 2.6-4.0 9861=49, 9861/2.1=35...(33) HG2 ARG 84 - QG1 VAL 132 far 7 73 10 - 4.5-9.0 HG3 ARG 84 - QG1 VAL 132 poor 5 81 25 23 3.6-8.4 3.0/11659=7...(6) HG3 ARG 84 - QG2 VAL 132 far 0 51 0 - 5.6-8.7 HG2 ARG 84 - QG2 VAL 132 far 0 46 0 - 5.7-9.3 HD2 LYS 95 - QG2 VAL 132 far 0 70 0 - 6.7-12.2 HG LEU 43 - QG2 VAL 132 far 0 56 0 - 6.9-9.7 HD3 LYS 95 - QG2 VAL 132 far 0 72 0 - 7.1-11.6 HD3 LYS 86 - QG1 VAL 132 far 0 99 0 - 7.3-10.7 HD3 LYS 86 - QG2 VAL 132 far 0 69 0 - 7.4-10.7 HG LEU 43 - QG1 VAL 132 far 0 87 0 - 7.8-10.9 HD2 LYS 86 - QG2 VAL 132 far 0 71 0 - 7.8-10.4 HD2 LYS 86 - QG1 VAL 132 far 0 100 0 - 7.8-10.6 HD2 LYS 39 - QG2 VAL 132 far 0 56 0 - 8.3-13.4 HD2 LYS 39 - QG1 VAL 132 far 0 87 0 - 8.4-14.1 HD2 LYS 95 - QG1 VAL 132 far 0 99 0 - 8.5-12.6 HD3 LYS 95 - QG1 VAL 132 far 0 100 0 - 8.6-12.8 HB2 LEU 69 - QG2 VAL 132 far 0 66 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 10534 from aliabs.peaks (2.04, 1.13, 22.78 ppm; 4.19 A): 2 out of 14 assignments used, quality = 1.00: HG3 ARG 135 + QG1 VAL 132 OK 99 99 100 100 2.7-4.4 11783/3.2=59...(47) HG3 ARG 135 + QG2 VAL 132 OK 66 69 95 100 4.1-6.4 11783/3.2=59, ~10527=38...(47) HG3 PRO 81 - QG2 VAL 132 poor 16 68 35 68 4.6-8.9 11226/11656=11...(21) HG3 PRO 81 - QG1 VAL 132 far 15 98 15 - 5.3-8.3 HB2 GLN 134 - QG1 VAL 132 far 0 83 0 - 6.2-7.9 HG2 ARG 90 - QG2 VAL 132 far 0 56 0 - 6.3-8.7 HB2 GLN 134 - QG2 VAL 132 far 0 53 0 - 6.4-7.6 HB2 PRO 81 - QG2 VAL 132 far 0 39 0 - 6.5-10.7 HG2 ARG 90 - QG1 VAL 132 far 0 87 0 - 6.8-9.1 HB3 GLU 91 - QG1 VAL 132 far 0 99 0 - 6.9-9.0 HB3 GLU 91 - QG2 VAL 132 far 0 69 0 - 6.9-8.7 HB2 GLN 127 - QG2 VAL 132 far 0 69 0 - 6.9-8.6 HB2 PRO 81 - QG1 VAL 132 far 0 64 0 - 7.1-10.4 HB2 GLN 127 - QG1 VAL 132 far 0 99 0 - 7.1-9.9 Violated in 1 structures by 0.01 A. Peak 10535 from aliabs.peaks (2.71, 1.13, 22.78 ppm; 3.94 A): 2 out of 8 assignments used, quality = 0.92: HB2 ASN 85 + QG1 VAL 132 OK 82 83 100 99 1.8-5.3 3.6/10545=47...(24) HB2 ASN 85 + QG2 VAL 132 OK 52 53 100 99 2.4-5.1 1.8/11743=30, ~11743=28...(25) HB2 CYS 73 - QG2 VAL 132 far 2 36 5 - 5.4-8.8 HB2 CYS 125 - QG2 VAL 132 far 0 51 0 - 7.0-9.5 HB2 CYS 125 - QG1 VAL 132 far 0 81 0 - 7.4-10.1 HB2 CYS 73 - QG1 VAL 132 far 0 60 0 - 7.7-10.6 HB2 ASP 47 - QG2 VAL 132 far 0 70 0 - 8.5-13.4 HB2 ASP 47 - QG1 VAL 132 far 0 99 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 10536 from aliabs.peaks (2.89, 1.13, 22.78 ppm; 4.21 A): 0 out of 4 assignments used, quality = 0.00: HE2 LYS 95 - QG2 VAL 132 far 0 48 0 - 8.7-12.1 HE3 LYS 95 - QG2 VAL 132 far 0 44 0 - 8.9-12.6 HE3 LYS 95 - QG1 VAL 132 far 0 71 0 - 9.4-13.6 HE2 LYS 95 - QG1 VAL 132 far 0 76 0 - 9.8-12.9 Violated in 20 structures by 4.18 A. Peak 10537 from aliabs.peaks (3.30, 1.13, 22.78 ppm; 3.59 A): 2 out of 4 assignments used, quality = 0.80: HB2 PHE 89 + QG2 VAL 132 OK 56 62 90 99 1.9-5.8 2.7/10546=28, ~11943=27...(30) HB2 PHE 89 + QG1 VAL 132 OK 56 93 60 99 3.0-6.5 3.0/10539=35...(31) HB3 CYS 73 - QG2 VAL 132 far 0 70 0 - 5.3-8.6 HB3 CYS 73 - QG1 VAL 132 far 0 99 0 - 7.2-10.0 Violated in 11 structures by 0.26 A. Peak 10538 from aliabs.peaks (3.78, 1.13, 22.78 ppm; 3.98 A): 3 out of 10 assignments used, quality = 1.00: HA VAL 133 + QG1 VAL 132 OK 97 97 100 100 4.1-5.4 11750/3.2=44...(39) HA VAL 133 + QG2 VAL 132 OK 66 66 100 100 3.0-5.2 11750/3.2=44, ~7929=36...(38) HA SER 130 + QG2 VAL 132 OK 60 70 100 85 4.0-4.8 4173/4.4=27...(19) HA SER 130 - QG1 VAL 132 far 15 99 15 - 4.9-6.7 HB3 SER 130 - QG2 VAL 132 far 7 70 10 - 5.4-6.2 HB3 SER 130 - QG1 VAL 132 far 0 99 0 - 5.8-8.1 HA ARG 90 - QG2 VAL 132 far 0 53 0 - 5.9-7.9 HA LEU 43 - QG2 VAL 132 far 0 72 0 - 6.5-8.6 HA ARG 90 - QG1 VAL 132 far 0 83 0 - 7.1-8.9 HA LEU 43 - QG1 VAL 132 far 0 100 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 10539 from aliabs.peaks (4.10, 1.13, 22.78 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.99: HA PHE 89 + QG1 VAL 132 OK 96 97 100 100 3.3-4.9 9873=34, 11377/2.1=33...(35) HA PHE 89 + QG2 VAL 132 OK 66 66 100 100 2.0-3.8 9873=33, 11377/2.1=33...(36) HA ILE 80 - QG2 VAL 132 far 0 38 0 - 5.7-9.5 HA ILE 80 - QG1 VAL 132 far 0 63 0 - 6.7-9.3 HA CYS 79 - QG2 VAL 132 far 0 68 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 10540 from aliabs.peaks (4.23, 1.13, 22.78 ppm; 4.39 A): 2 out of 7 assignments used, quality = 0.83: HA ALA 88 + QG1 VAL 132 OK 70 73 95 100 4.1-6.0 2.1/10533=63, ~11661=38...(21) HA ALA 88 + QG2 VAL 132 OK 46 46 100 100 4.7-5.8 2.1/9861=48, ~10533=42...(23) HA ARG 84 - QG1 VAL 132 far 9 89 10 - 5.6-9.2 HA ARG 84 - QG2 VAL 132 far 0 58 0 - 7.0-8.9 HA SER 124 - QG1 VAL 132 far 0 93 0 - 8.1-11.4 HA SER 124 - QG2 VAL 132 far 0 62 0 - 8.4-10.3 HA SER 94 - QG2 VAL 132 far 0 68 0 - 9.9-11.2 Violated in 11 structures by 0.19 A. Peak 10541 from aliabs.peaks (4.79, 1.13, 22.78 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.92: HA ASN 85 + QG1 VAL 132 OK 83 83 100 100 1.8-5.5 2.9/10545=69...(25) HA ASN 85 + QG2 VAL 132 OK 53 53 100 100 3.0-5.1 ~10545=43, 2750/9861=33...(26) Violated in 0 structures by 0.00 A. Peak 10544 from aliabs.peaks (7.84, 1.13, 22.78 ppm; 6.80 A): 4 out of 4 assignments used, quality = 1.00: H ALA 92 + QG1 VAL 132 OK 89 89 100 100 5.3-7.0 3.0/11658=63...(16) H ALA 88 + QG1 VAL 132 OK 81 81 100 100 3.5-5.9 ~11661=74, ~9857=66...(25) H ALA 92 + QG2 VAL 132 OK 58 58 100 100 4.6-6.1 10455/10490=68...(19) H ALA 88 + QG2 VAL 132 OK 51 51 100 100 4.5-6.2 ~11661=74, ~9860=69...(28) Violated in 0 structures by 0.00 A. Peak 10545 from aliabs.peaks (7.30, 1.13, 22.78 ppm; 6.04 A): 6 out of 8 assignments used, quality = 0.99: H ASN 85 + QG1 VAL 132 OK 79 83 95 100 3.9-7.7 2.9/10541=65...(23) HZ PHE 89 + QG2 VAL 132 OK 72 72 100 100 4.7-7.0 ~11367=61, 2.2/11734=46...(19) H ASN 85 + QG2 VAL 132 OK 53 53 100 100 4.9-7.4 ~10541=51, ~10541=44...(22) QD PHE 87 + QG1 VAL 132 OK 52 93 75 75 5.8-8.8 7181/9476=34...(5) HZ PHE 89 + QG1 VAL 132 OK 45 100 45 100 6.5-8.3 ~11367=61, 3.8/10546=52...(17) QD PHE 87 + QG2 VAL 132 OK 27 62 60 71 6.9-8.1 7181/9476=35...(5) QE PHE 87 - QG1 VAL 132 far 6 60 10 - 7.2-10.6 QE PHE 87 - QG2 VAL 132 far 0 36 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 10546 from aliabs.peaks (7.07, 1.13, 22.78 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.96: QD PHE 89 + QG1 VAL 132 OK 85 100 85 100 3.7-5.3 11943/2.1=44...(38) QD PHE 89 + QG2 VAL 132 OK 72 72 100 100 1.8-4.3 11943/2.1=44...(38) Violated in 2 structures by 0.02 A. Peak 10547 from aliabs.peaks (6.48, 1.13, 22.78 ppm; 5.42 A): 3 out of 4 assignments used, quality = 0.88: QE TYR 76 + QG2 VAL 132 OK 68 72 100 94 4.4-6.8 10558/11680=37...(18) QE TYR 76 + QG1 VAL 132 OK 50 100 55 91 5.7-8.0 9746/11656=38...(13) QD TYR 76 + QG2 VAL 132 OK 25 46 90 60 5.0-7.5 10550/4.4=24...(10) QD TYR 76 - QG1 VAL 132 far 4 73 5 - 6.6-8.7 Violated in 4 structures by 0.03 A. Peak 10551 from aliabs.peaks (8.68, 1.14, 23.00 ppm; 5.72 A): 0 out of 1 assignment used, quality = 0.00: H SER 50 - QG2 VAL 132 far 0 85 0 - 10.0-13.5 Violated in 20 structures by 5.61 A. Peak 10552 from aliabs.peaks (7.40, 1.04, 23.71 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + QG2 VAL 133 OK 100 100 100 100 3.1-4.1 2.2/10554=59...(25) Violated in 6 structures by 0.09 A. Peak 10553 from aliabs.peaks (7.30, 1.04, 23.71 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: HZ PHE 89 + QG2 VAL 133 OK 100 100 100 100 4.4-5.9 2.2/10552=92...(16) H ASN 85 - QG2 VAL 133 far 0 78 0 - 7.0-9.9 Violated in 18 structures by 0.44 A. Peak 10554 from aliabs.peaks (7.08, 1.04, 23.71 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 89 + QG2 VAL 133 OK 99 99 100 100 3.8-5.1 2.2/10552=78...(20) Violated in 19 structures by 0.48 A. Peak 10555 from aliabs.peaks (6.46, 1.04, 23.71 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.92: QE TYR 76 + QG2 VAL 133 OK 92 93 100 99 1.9-4.9 10558/2.1=63...(26) Violated in 4 structures by 0.09 A. Peak 10556 from aliabs.peaks (7.32, 0.84, 22.12 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.97: HZ PHE 89 + QG1 VAL 133 OK 97 97 100 100 3.2-4.7 2.2/11756=90...(22) HE ARG 90 - QG1 VAL 133 far 0 78 0 - 8.1-11.5 QD PHE 87 - QG1 VAL 133 far 0 100 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10557 from aliabs.peaks (7.07, 0.84, 22.12 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + QG1 VAL 133 OK 100 100 100 100 1.8-3.4 10554/2.1=81...(22) Violated in 0 structures by 0.00 A. Peak 10558 from aliabs.peaks (6.46, 0.84, 22.12 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.86: QE TYR 76 + QG1 VAL 133 OK 86 87 100 99 1.9-4.1 10555/2.1=77...(25) Violated in 6 structures by 0.03 A. Peak 10559 from aliabs.peaks (6.47, 3.77, 64.98 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + HA VAL 133 OK 99 99 100 100 2.1-4.8 10555/3.2=78...(22) Violated in 2 structures by 0.01 A. Peak 10561 from aliabs.peaks (6.49, 2.19, 31.57 ppm; 5.80 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HB VAL 133 OK 99 99 100 100 1.9-3.6 9631/2.1=95...(21) QD TYR 76 + HB VAL 133 OK 89 89 100 100 2.9-5.1 ~10555=87, ~10555=86...(35) Violated in 0 structures by 0.00 A. Peak 10562 from aliabs.peaks (8.04, 1.04, 23.71 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.95: H SER 130 + QG2 VAL 133 OK 95 100 95 100 4.3-6.5 2.9/11861=74...(23) H LEU 48 - QG2 VAL 133 far 0 97 0 - 8.3-11.5 Violated in 15 structures by 0.88 A. Peak 10563 from aliabs.peaks (8.31, 1.04, 23.71 ppm; 5.18 A): 3 out of 8 assignments used, quality = 0.98: H LEU 43 + QG2 VAL 133 OK 85 85 100 100 3.2-4.9 3.6/10566=78...(24) H GLU 40 + QG2 VAL 133 OK 74 85 90 97 4.1-7.8 4.7/11767=64...(14) H GLU 44 + QG2 VAL 133 OK 51 68 85 89 5.4-7.0 1390/11776=53...(7) H TYR 72 - QG2 VAL 133 far 0 92 0 - 8.0-10.2 H ALA 21 - QG2 VAL 133 far 0 99 0 - 9.3-30.4 H LEU 49 - QG2 VAL 133 far 0 99 0 - 9.3-12.2 H VAL 126 - QG2 VAL 133 far 0 65 0 - 9.7-11.6 H LEU 69 - QG2 VAL 133 far 0 99 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 10564 from aliabs.peaks (8.47, 1.04, 23.71 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: H VAL 132 + QG2 VAL 133 OK 100 100 100 100 4.0-5.6 3.3/7935=82...(29) H ASP 47 - QG2 VAL 133 far 0 87 0 - 6.3-9.5 H LEU 70 - QG2 VAL 133 far 0 97 0 - 9.7-11.7 Violated in 14 structures by 0.54 A. Peak 10565 from aliabs.peaks (8.47, 3.77, 64.98 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: H VAL 132 + HA VAL 133 OK 100 100 100 100 4.9-5.2 10564/3.2=97...(26) Violated in 0 structures by 0.00 A. Peak 10566 from aliabs.peaks (3.45, 1.04, 23.71 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.25: HA LEU 42 + QG2 VAL 133 OK 25 87 30 97 4.5-7.1 3.9/10587=60...(10) HA ILE 129 - QG2 VAL 133 far 15 100 15 - 5.3-6.9 HA VAL 77 - QG2 VAL 133 far 0 100 0 - 5.8-8.2 HA VAL 126 - QG2 VAL 133 far 0 90 0 - 7.7-9.6 Violated in 20 structures by 1.72 A. Peak 10567 from aliabs.peaks (1.14, 1.04, 23.71 ppm; 4.74 A): 4 out of 6 assignments used, quality = 1.00: QG2 VAL 132 + QG2 VAL 133 OK 100 100 100 100 3.8-5.7 2.1/11764=89...(42) HG2 LYS 39 + QG2 VAL 133 OK 99 99 100 100 1.9-5.2 2.9/11767=77...(20) HG3 LYS 39 + QG2 VAL 133 OK 83 83 100 100 3.1-6.1 2.9/11767=77...(22) QG1 VAL 132 + QG2 VAL 133 OK 66 95 70 100 5.0-6.3 2.1/11764=89...(39) QG2 THR 18 - QG2 VAL 133 far 0 73 0 - 7.3-29.6 HG12 ILE 32 - QG2 VAL 133 far 0 95 0 - 9.7-18.5 Violated in 0 structures by 0.00 A. Peak 10568 from aliabs.peaks (1.48, 1.04, 23.71 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 42 + QG2 VAL 133 OK 99 99 100 100 3.4-5.7 2.1/10587=99...(31) HG3 LYS 86 - QG2 VAL 133 far 0 100 0 - 6.9-10.6 HG3 LYS 36 - QG2 VAL 133 far 0 81 0 - 8.4-15.5 Violated in 7 structures by 0.16 A. Peak 10569 from aliabs.peaks (1.66, 1.04, 23.71 ppm; 3.95 A): 2 out of 12 assignments used, quality = 0.96: HG LEU 43 + QG2 VAL 133 OK 92 92 100 100 2.5-4.0 2.1/11776=85...(26) HD2 LYS 39 + QG2 VAL 133 OK 54 81 70 97 3.4-7.4 3.6/11767=49...(17) HD3 LYS 36 - QG2 VAL 133 far 0 100 0 - 6.1-15.7 HD2 LYS 36 - QG2 VAL 133 far 0 100 0 - 6.2-14.5 QB ALA 88 - QG2 VAL 133 far 0 100 0 - 7.2-8.8 HB2 LEU 69 - QG2 VAL 133 far 0 99 0 - 7.4-11.0 HD2 LYS 86 - QG2 VAL 133 far 0 100 0 - 7.9-11.6 HD3 LYS 86 - QG2 VAL 133 far 0 100 0 - 7.9-11.9 HG2 ARG 84 - QG2 VAL 133 far 0 81 0 - 8.3-12.7 HG3 ARG 84 - QG2 VAL 133 far 0 87 0 - 8.5-11.9 HD3 LYS 24 - QG2 VAL 133 far 0 100 0 - 8.9-26.6 HD2 LYS 24 - QG2 VAL 133 far 0 100 0 - 9.9-27.5 Violated in 1 structures by 0.00 A. Peak 10570 from aliabs.peaks (2.64, 1.04, 23.71 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLN 134 + QG2 VAL 133 OK 100 100 100 100 3.0-5.3 9124/11776=65...(25) Violated in 6 structures by 0.12 A. Peak 10571 from aliabs.peaks (2.94, 1.04, 23.71 ppm; 4.31 A): 2 out of 7 assignments used, quality = 0.97: HE2 LYS 39 + QG2 VAL 133 OK 84 95 90 99 2.2-5.9 10577/2.1=77...(17) HE3 LYS 39 + QG2 VAL 133 OK 83 95 90 98 1.9-6.6 ~10577=56, 4.9/11767=42...(16) HD2 ARG 135 - QG2 VAL 133 far 5 90 5 - 5.0-8.1 HE3 LYS 36 - QG2 VAL 133 far 0 87 0 - 6.7-15.3 HB2 CYS 45 - QG2 VAL 133 far 0 99 0 - 6.8-9.9 HE3 LYS 86 - QG2 VAL 133 far 0 95 0 - 7.5-11.9 HE2 LYS 36 - QG2 VAL 133 far 0 87 0 - 7.8-14.5 Violated in 3 structures by 0.13 A. Peak 10572 from aliabs.peaks (1.65, 0.84, 22.12 ppm; 3.80 A): 1 out of 10 assignments used, quality = 0.85: HG LEU 43 + QG1 VAL 133 OK 85 100 85 100 3.1-6.1 2.1/11679=91...(28) QB ALA 88 - QG1 VAL 133 far 0 90 0 - 5.8-7.4 HB2 LEU 69 - QG1 VAL 133 far 0 100 0 - 6.4-9.5 HD2 LYS 36 - QG1 VAL 133 far 0 92 0 - 6.5-14.5 HD2 LYS 86 - QG1 VAL 133 far 0 98 0 - 6.9-10.4 HD3 LYS 36 - QG1 VAL 133 far 0 93 0 - 6.9-15.5 HD3 LYS 86 - QG1 VAL 133 far 0 99 0 - 7.1-10.4 HG3 ARG 84 - QG1 VAL 133 far 0 99 0 - 7.3-11.5 HG2 ARG 84 - QG1 VAL 133 far 0 97 0 - 8.0-12.1 HD2 LYS 95 - QG1 VAL 133 far 0 99 0 - 9.7-14.6 Violated in 16 structures by 0.68 A. Peak 10573 from aliabs.peaks (1.33, 0.84, 22.12 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.92: QB ALA 46 + QG1 VAL 133 OK 92 97 95 99 3.6-6.2 9176/11777=82...(12) Violated in 12 structures by 0.37 A. Peak 10574 from aliabs.peaks (2.04, 0.84, 22.12 ppm; 4.18 A): 3 out of 9 assignments used, quality = 0.99: HG3 ARG 135 + QG1 VAL 133 OK 85 97 95 92 4.7-7.2 ~10571=25, 10575/2.1=20...(20) HG3 PRO 81 + QG1 VAL 133 OK 81 99 85 96 3.9-7.4 ~11757=42, 10575/2.1=27...(28) HB2 GLN 134 + QG1 VAL 133 OK 51 78 65 100 4.4-6.5 1.8/11765=66...(24) HB2 PRO 81 - QG1 VAL 133 far 0 65 0 - 5.7-8.6 HB3 GLU 40 - QG1 VAL 133 far 0 81 0 - 7.2-10.7 HB2 GLU 44 - QG1 VAL 133 far 0 85 0 - 7.3-9.8 HB2 GLN 127 - QG1 VAL 133 far 0 99 0 - 7.8-8.8 HG2 ARG 90 - QG1 VAL 133 far 0 83 0 - 7.9-10.8 HB3 GLN 27 - QG1 VAL 133 far 0 81 0 - 9.0-22.2 Violated in 9 structures by 0.11 A. Peak 10575 from aliabs.peaks (2.05, 1.04, 23.71 ppm; 4.03 A): 4 out of 10 assignments used, quality = 0.98: HG3 PRO 81 + QG2 VAL 133 OK 83 100 85 98 2.3-7.9 2.3/11757=60...(32) HB2 GLN 134 + QG2 VAL 133 OK 68 68 100 100 4.3-5.3 2.9/10570=55...(22) HB2 PRO 81 + QG2 VAL 133 OK 45 68 75 88 3.5-8.1 3.0/11757=53...(17) HG3 ARG 135 + QG2 VAL 133 OK 33 93 40 88 4.9-7.4 3.0/10571=30...(16) HB3 GLU 40 - QG2 VAL 133 far 0 71 0 - 5.7-8.9 HB2 GLU 44 - QG2 VAL 133 far 0 76 0 - 6.9-9.7 HB3 GLU 44 - QG2 VAL 133 far 0 68 0 - 7.9-9.4 HB2 GLN 127 - QG2 VAL 133 far 0 100 0 - 8.1-11.0 HB3 GLN 27 - QG2 VAL 133 far 0 89 0 - 8.7-23.5 HG2 ARG 90 - QG2 VAL 133 far 0 73 0 - 9.0-12.6 Violated in 3 structures by 0.01 A. Peak 10576 from aliabs.peaks (2.64, 0.84, 22.12 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLN 134 + QG1 VAL 133 OK 99 99 100 100 2.9-5.0 10597=92, 10570/2.1=83...(22) Violated in 5 structures by 0.02 A. Peak 10577 from aliabs.peaks (2.93, 0.84, 22.12 ppm; 3.65 A): 0 out of 7 assignments used, quality = 0.00: HE3 LYS 39 - QG1 VAL 133 poor 20 100 20 - 4.6-9.0 HE2 LYS 39 - QG1 VAL 133 far 15 100 15 - 4.4-8.0 HD2 ARG 135 - QG1 VAL 133 far 5 99 5 - 5.1-7.5 HB2 CYS 45 - QG1 VAL 133 far 0 100 0 - 6.4-10.0 HE3 LYS 36 - QG1 VAL 133 far 0 68 0 - 7.5-15.2 HE3 LYS 86 - QG1 VAL 133 far 0 81 0 - 7.9-10.9 HE2 LYS 36 - QG1 VAL 133 far 0 68 0 - 8.2-14.3 Violated in 20 structures by 1.34 A. Peak 10578 from aliabs.peaks (3.40, 0.84, 22.12 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.80: HA LYS 39 + QG1 VAL 133 OK 80 100 80 100 3.7-6.7 9053=72, 10870/10585=57...(17) Violated in 15 structures by 0.78 A. Peak 10585 from aliabs.peaks (0.55, 0.84, 22.12 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 42 + QG1 VAL 133 OK 99 99 100 100 1.8-3.5 10587/2.1=76...(48) Violated in 0 structures by 0.00 A. Peak 10586 from aliabs.peaks (0.25, 0.84, 22.12 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.89: QD1 ILE 80 + QG1 VAL 133 OK 89 93 95 100 2.7-6.1 10588/2.1=70...(45) Violated in 7 structures by 0.28 A. Peak 10587 from aliabs.peaks (0.55, 1.04, 23.71 ppm; 3.23 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 42 + QG2 VAL 133 OK 99 99 100 100 1.9-3.5 2.1/11774=63...(41) Violated in 3 structures by 0.03 A. Peak 10588 from aliabs.peaks (0.27, 1.04, 23.71 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.59: QD1 ILE 80 + QG2 VAL 133 OK 59 99 60 100 3.3-7.5 9746/10555=52...(41) QG2 VAL 93 - QG2 VAL 133 far 0 92 0 - 6.3-9.2 Violated in 19 structures by 1.40 A. Peak 10590 from aliabs.peaks (0.28, 3.77, 64.98 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.79: QD1 ILE 80 + HA VAL 133 OK 79 93 85 100 2.7-6.8 10588/3.2=77...(36) QG2 VAL 93 - HA VAL 133 far 0 98 0 - 7.1-10.5 Violated in 7 structures by 0.36 A. Peak 10594 from aliabs.peaks (1.70, 2.65, 35.98 ppm; 6.16 A): 3 out of 4 assignments used, quality = 1.00: HG2 ARG 135 + HG2 GLN 134 OK 100 100 100 100 3.6-7.0 7983/7976=88...(14) HB2 LEU 43 + HG2 GLN 134 OK 95 100 95 100 3.9-8.1 3.2/10596=96...(31) HD2 LYS 39 + HG2 GLN 134 OK 26 78 35 93 6.8-12.4 10569/10570=27...(15) HD3 LYS 39 - HG2 GLN 134 poor 19 95 20 - 5.4-13.1 Violated in 0 structures by 0.00 A. Peak 10595 from aliabs.peaks (1.05, 2.65, 35.98 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.95: QG2 VAL 133 + HG2 GLN 134 OK 95 95 100 100 3.0-5.3 10570=91, 2.1/10576=90...(27) Violated in 0 structures by 0.00 A. Peak 10596 from aliabs.peaks (0.68, 2.65, 35.98 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HG2 GLN 134 OK 100 100 100 100 2.4-5.4 9121=100, 2.1/9124=81...(25) Violated in 5 structures by 0.14 A. Peak 10597 from aliabs.peaks (0.84, 2.65, 35.98 ppm; 5.58 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 133 + HG2 GLN 134 OK 100 100 100 100 2.9-5.0 10576=98, 2.1/10570=97...(23) QG2 ILE 129 + HG2 GLN 134 OK 53 87 90 68 6.3-7.2 10482/10570=27...(10) QG2 ILE 80 - HG2 GLN 134 far 3 65 5 - 7.0-11.4 HG13 ILE 80 - HG2 GLN 134 far 0 57 0 - 7.3-13.0 QD2 LEU 69 - HG2 GLN 134 far 0 73 0 - 7.4-11.2 Violated in 0 structures by 0.00 A. Peak 10598 from aliabs.peaks (1.64, 2.08, 35.98 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.94: HG LEU 43 + HG3 GLN 134 OK 94 99 95 100 3.8-8.4 2.1/10600=100...(27) QB ALA 88 - HG3 GLN 134 far 7 68 10 - 8.1-10.2 HG3 ARG 84 - HG3 GLN 134 far 0 100 0 - 9.1-14.6 Violated in 3 structures by 0.18 A. Peak 10599 from aliabs.peaks (1.04, 2.08, 35.98 ppm; 6.18 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + HG3 GLN 134 OK 100 100 100 100 2.5-5.2 10570/1.8=99...(36) QD1 LEU 69 - HG3 GLN 134 far 9 60 15 - 7.3-13.3 Violated in 0 structures by 0.00 A. Peak 10600 from aliabs.peaks (0.67, 2.08, 35.98 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 43 + HG3 GLN 134 OK 99 99 100 100 1.9-5.8 9121/1.8=83...(25) QD1 ILE 129 - HG3 GLN 134 far 0 81 0 - 8.7-10.5 Violated in 4 structures by 0.15 A. Peak 10601 from aliabs.peaks (0.75, 2.08, 35.98 ppm; 4.44 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 43 + HG3 GLN 134 OK 99 99 100 100 1.8-5.7 9124/1.8=86...(35) QD1 ILE 37 - HG3 GLN 134 far 0 89 0 - 8.3-14.7 HG12 ILE 129 - HG3 GLN 134 far 0 100 0 - 9.5-11.1 Violated in 3 structures by 0.12 A. Peak 10602 from aliabs.peaks (2.93, 2.08, 35.98 ppm; 5.20 A): 3 out of 4 assignments used, quality = 0.81: HE2 LYS 39 + HG3 GLN 134 OK 48 100 50 97 3.5-11.2 10577/10601=42...(17) HE3 LYS 39 + HG3 GLN 134 OK 41 100 45 92 4.0-12.9 9123/10601=30...(15) HD2 ARG 135 + HG3 GLN 134 OK 38 99 40 96 4.9-7.7 7985/4.9=44, 3.0/4297=38...(12) HB2 CYS 45 - HG3 GLN 134 far 0 100 0 - 9.5-13.2 Violated in 11 structures by 0.27 A. Peak 10603 from aliabs.peaks (2.95, 2.65, 35.98 ppm; 6.61 A): 3 out of 3 assignments used, quality = 0.92: HD2 ARG 135 + HG2 GLN 134 OK 70 71 100 99 4.9-6.5 10571/10570=72...(11) HE2 LYS 39 + HG2 GLN 134 OK 55 78 70 100 4.7-11.1 10577/10576=88...(17) HE3 LYS 39 + HG2 GLN 134 OK 42 78 55 98 4.2-12.5 10571/10570=42...(16) Violated in 0 structures by 0.00 A. Peak 10604 from aliabs.peaks (3.79, 2.65, 35.98 ppm; 6.17 A): 5 out of 5 assignments used, quality = 1.00: HA LEU 43 + HG2 GLN 134 OK 87 92 95 100 4.9-7.8 10626/3.5=92...(9) HA SER 130 + HG2 GLN 134 OK 84 85 100 99 4.7-5.4 11747/9124=69...(13) HB3 SER 130 + HG2 GLN 134 OK 82 83 100 98 4.3-6.8 10509/9124=64...(13) HA VAL 133 + HG2 GLN 134 OK 73 73 100 100 4.9-6.4 3.6/7950=97...(19) HB2 SER 130 + HG2 GLN 134 OK 51 63 100 81 5.7-7.1 11642/9124=42...(6) Violated in 0 structures by 0.00 A. Peak 10605 from aliabs.peaks (3.80, 2.08, 35.98 ppm; 6.09 A): 3 out of 4 assignments used, quality = 0.94: HB2 SER 130 + HG3 GLN 134 OK 76 89 95 90 5.5-7.8 11720/10601=72...(10) HA LEU 43 + HG3 GLN 134 OK 65 68 95 100 4.1-7.7 10626/3.5=91...(13) HA GLU 40 + HG3 GLN 134 OK 24 63 55 70 5.2-11.8 11804/10600=39...(6) HB2 SER 50 - HG3 GLN 134 far 0 78 0 - 8.6-12.2 Violated in 1 structures by 0.04 A. Peak 10635 from aliabs.peaks (3.52, 3.23, 44.19 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.71: HA VAL 132 + HD3 ARG 135 OK 71 71 100 100 1.8-4.3 10636/1.8=63...(28) Violated in 2 structures by 0.01 A. Peak 10636 from aliabs.peaks (3.53, 2.92, 44.19 ppm; 3.97 A): 0 out of 0 assignments used, quality = 0.00: Peak 10637 from aliabs.peaks (3.51, 4.02, 58.76 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.93: HA VAL 132 + HA ARG 135 OK 93 93 100 100 4.4-5.6 10019/4308=77...(15) Violated in 17 structures by 0.18 A. Peak 10638 from aliabs.peaks (3.50, 1.89, 30.87 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 132 + HB2 ARG 135 OK 100 100 100 100 1.9-5.1 11885=96, 11884/1.8=79...(27) Violated in 1 structures by 0.01 A. Peak 10639 from aliabs.peaks (3.50, 1.82, 30.87 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 132 + HB3 ARG 135 OK 99 99 100 100 3.2-4.9 11884=97, 10638/1.8=82...(26) Violated in 1 structures by 0.00 A. Peak 10640 from aliabs.peaks (1.13, 3.23, 44.19 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 132 + HD3 ARG 135 OK 100 100 100 100 1.9-5.2 11744=56, 3.2/10635=53...(42) QG2 VAL 132 + HD3 ARG 135 OK 54 99 55 100 3.8-6.4 3.2/10635=53...(42) HG2 LYS 39 - HD3 ARG 135 far 0 100 0 - 8.2-14.1 HG3 LYS 39 - HD3 ARG 135 far 0 63 0 - 9.9-15.0 Violated in 9 structures by 0.13 A. Peak 10641 from aliabs.peaks (7.26, 4.68, 55.23 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * HD2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.8-4.8 4.7=100 HD2 HIS 10 - HA HIS 8 poor 18 88 20 - 5.4-11.0 Violated in 0 structures by 0.00 A. Peak 10642 from aliabs.peaks (7.26, 3.25, 28.70 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: HD2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.7-4.0 3.9=100 H ASN 85 - HB3 HIS 4 far 0 52 0 - 9.6-74.4 Violated in 0 structures by 0.00 A. Peak 10643 from aliabs.peaks (7.27, 3.17, 28.70 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.99: HD2 HIS 10 + HB2 HIS 10 OK 99 99 100 100 2.7-4.0 3.9=100 H ASN 85 - HB3 HIS 3 far 0 78 0 - 7.4-74.4 Violated in 0 structures by 0.00 A. Peak 10645 from aliabs.peaks (1.34, 4.41, 54.98 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.89: QB ALA 12 + HA MET 11 OK 89 89 100 100 3.7-4.3 2.9/132=92, 4.6=91...(8) QB ALA 21 - HA MET 11 far 0 100 0 - 6.0-20.4 HG2 LYS 19 - HA MET 11 far 0 63 0 - 6.4-19.8 QB ALA 46 - HA HIS 5 far 0 97 0 - 9.9-49.8 Violated in 0 structures by 0.00 A. Peak 10647 from aliabs.peaks (1.36, 2.51, 31.62 ppm; 5.18 A): 1 out of 9 assignments used, quality = 0.98: QB ALA 12 + HG3 MET 11 OK 98 100 100 99 3.1-6.5 6080/6078=51, ~6075=50...(9) HG2 LYS 19 - HG3 MET 11 far 5 99 5 - 3.3-22.7 QB ALA 15 - HG3 MET 11 far 4 89 5 - 6.5-12.8 QB ALA 21 - HG3 MET 11 far 4 87 5 - 6.2-22.4 QB ALA 28 - HG3 MET 11 far 4 83 5 - 6.0-26.9 QB ALA 16 - HG3 MET 11 far 3 65 5 - 3.6-14.5 HG2 LYS 24 - HG3 MET 11 far 0 96 0 - 9.6-22.5 QB ALA 110 - HG3 MET 11 far 0 87 0 - 9.8-53.1 QB ALA 108 - HG3 MET 11 far 0 92 0 - 9.9-48.5 Violated in 13 structures by 0.43 A. Peak 10650 from aliabs.peaks (1.35, 4.65, 53.00 ppm; 5.00 A): 1 out of 8 assignments used, quality = 0.99: QB ALA 12 + HA ASN 13 OK 99 99 100 100 3.8-4.4 5.0=100 QB ALA 15 - HA ASN 13 poor 11 63 45 40 5.0-7.7 10659/6106=30...(4) QB ALA 21 - HA ASN 13 far 5 99 5 - 5.6-15.2 QB ALA 29 - HA ASN 13 far 4 71 5 - 6.4-25.2 HG2 LYS 19 - HA ASN 13 lone 2 89 35 6 3.0-17.7 11759/3.0=2, 11870/3.0=2...(4) HG2 LYS 24 - HA ASN 13 far 0 76 0 - 7.7-25.0 QB ALA 110 - HA ASN 13 far 0 60 0 - 9.7-46.9 HG2 LYS 36 - HA ASN 13 far 0 65 0 - 10.0-33.3 Violated in 0 structures by 0.00 A. Peak 10651 from aliabs.peaks (0.89, 4.65, 53.00 ppm; 5.59 A): 0 out of 4 assignments used, quality = 0.00: QG1 VAL 20 - HA ASN 13 poor 15 76 20 - 5.9-14.6 QD1 LEU 22 - HA ASN 13 far 15 100 15 - 3.3-17.8 QG2 VAL 20 - HA ASN 13 far 15 99 15 - 5.3-16.0 QG2 VAL 57 - HA ASN 13 far 0 63 0 - 7.4-32.8 Violated in 16 structures by 2.47 A. Peak 10655 from aliabs.peaks (1.36, 3.92, 45.05 ppm; 4.18 A): 8 out of 37 assignments used, quality = 1.00: QB ALA 15 + HA2 GLY 14 OK 85 87 100 97 3.9-5.0 4.9=61, 2.9/6116=39...(13) QB ALA 15 + HA3 GLY 14 OK 84 87 100 97 3.9-5.0 4.9=61, 2.9/6116=39...(13) QB ALA 110 + HA2 GLY 111 OK 63 64 100 99 3.6-4.7 4.8=64, 10679/1.8=42...(21) QB ALA 109 + HA2 GLY 111 OK 40 54 90 84 3.6-6.8 11496/10661=27...(18) QB ALA 12 + HA3 GLY 14 OK 36 100 75 48 4.1-6.3 10659/3.0=34, ~11760=15, ~6377=6 QB ALA 12 + HA2 GLY 14 OK 34 100 70 48 3.9-6.7 10659/3.0=34, ~11760=15, ~6377=6 QB ALA 16 + HA2 GLY 14 OK 22 63 90 39 4.1-7.0 6119/3.6=15, 10677=9...(6) QB ALA 16 + HA3 GLY 14 OK 22 63 90 39 3.9-7.2 6119/3.6=15, 10677=9...(6) HG2 LYS 19 - HA2 GLY 14 poor 20 99 20 - 2.8-15.5 HG2 LYS 19 - HA3 GLY 14 poor 20 99 20 - 2.6-15.1 QB ALA 16 - HA2 GLY 111 far 7 45 15 - 3.3-39.3 QB ALA 15 - HA2 GLY 111 far 7 66 10 - 2.8-42.7 QB ALA 21 - HA3 GLY 14 far 4 89 5 - 2.5-15.7 QB ALA 21 - HA2 GLY 14 far 4 89 5 - 3.9-14.5 QB ALA 108 - HA2 GLY 111 far 3 69 5 - 5.7-9.0 QB ALA 21 - HA2 GLY 111 far 3 67 5 - 5.1-37.8 HG3 LYS 31 - HA2 GLY 14 far 0 78 0 - 5.8-25.4 QB ALA 12 - HA2 GLY 111 far 0 82 0 - 6.2-43.8 HG3 LYS 26 - HA2 GLY 111 far 0 66 0 - 6.5-31.3 HG2 LYS 24 - HA2 GLY 14 far 0 95 0 - 6.8-25.7 QB ALA 28 - HA2 GLY 14 far 0 81 0 - 7.0-22.5 QB ALA 110 - HA3 GLY 14 far 0 85 0 - 7.4-44.3 HG2 LYS 24 - HA3 GLY 14 far 0 94 0 - 7.5-25.7 HG3 LYS 31 - HA3 GLY 14 far 0 78 0 - 7.5-25.8 HG2 LYS 36 - HA3 GLY 14 far 0 89 0 - 7.7-33.5 QB ALA 110 - HA2 GLY 14 far 0 85 0 - 7.9-44.9 QB ALA 28 - HA2 GLY 111 far 0 60 0 - 8.0-24.4 QB ALA 28 - HA3 GLY 14 far 0 80 0 - 8.3-23.2 QB ALA 29 - HA2 GLY 14 far 0 92 0 - 8.5-24.5 QB ALA 29 - HA2 GLY 111 far 0 71 0 - 8.8-21.8 HG2 LYS 36 - HA2 GLY 14 far 0 89 0 - 9.0-33.0 HG2 LYS 19 - HA2 GLY 111 far 0 80 0 - 9.2-49.1 QB ALA 109 - HA2 GLY 14 far 0 73 0 - 9.4-41.8 QB ALA 109 - HA3 GLY 14 far 0 73 0 - 9.6-41.2 QB ALA 29 - HA3 GLY 14 far 0 92 0 - 9.7-25.0 HB3 LEU 100 - HA2 GLY 111 far 0 77 0 - 9.8-18.2 HG2 LYS 24 - HA2 GLY 111 far 0 74 0 - 9.8-38.8 Violated in 0 structures by 0.00 A. Peak 10667 from aliabs.peaks (1.37, 3.96, 45.05 ppm; 4.36 A): 4 out of 40 assignments used, quality = 1.00: QB ALA 16 + HA3 GLY 17 OK 84 89 100 95 3.9-4.9 4.7=78, ~6127=35...(12) QB ALA 110 + HA3 GLY 111 OK 81 82 100 99 3.6-4.2 4.8=72, 7578/3.0=43...(20) QB ALA 16 + HA2 GLY 17 OK 80 84 100 95 4.0-5.0 4.7=78, ~6127=35...(12) QB ALA 109 + HA3 GLY 111 OK 49 77 80 80 4.7-6.6 10136/3.6=23...(19) QB ALA 15 - HA3 GLY 17 poor 19 99 60 31 3.5-7.8 6131/3.0=8, ~6130=6...(11) QB ALA 12 - HA2 GLY 17 poor 18 88 20 - 4.2-12.4 QB ALA 15 - HA2 GLY 17 poor 17 96 55 31 4.0-7.3 6131/3.0=8, ~6130=6...(11) HG2 LYS 19 - HA2 GLY 17 poor 14 98 25 59 4.5-8.5 10683/3.6=44...(4) QB ALA 16 - HA3 GLY 111 far 11 70 15 - 4.0-39.4 HG2 LYS 36 - HA3 GLY 17 far 10 99 10 - 2.9-31.2 HG2 LYS 24 - HA2 GLY 17 far 10 98 10 - 5.0-16.4 QB ALA 21 - HA2 GLY 17 poor 7 59 55 23 2.0-10.7 10683/3.6=11...(5) HG2 LYS 24 - HA3 GLY 17 far 5 100 5 - 4.3-17.1 HG2 LYS 19 - HA3 GLY 17 far 5 100 5 - 5.6-9.1 QB ALA 110 - HA3 GLY 17 far 5 99 5 - 4.9-44.4 HG2 LYS 36 - HA2 GLY 17 far 5 97 5 - 2.1-30.9 HG3 LYS 31 - HA3 GLY 17 far 5 97 5 - 3.8-25.0 QB ALA 110 - HA2 GLY 17 far 5 96 5 - 5.8-45.7 QB ALA 109 - HA3 GLY 17 far 5 95 5 - 5.0-41.6 HG3 LYS 31 - HA2 GLY 17 far 5 93 5 - 2.0-23.9 QB ALA 21 - HA3 GLY 17 lone 5 63 45 16 2.0-11.5 10683/3.6=11, 6151/10699=2 QB ALA 108 - HA3 GLY 111 far 4 84 5 - 4.6-9.5 QB ALA 15 - HA3 GLY 111 far 4 83 5 - 2.7-43.7 QB ALA 21 - HA3 GLY 111 far 2 47 5 - 5.7-38.8 QB ALA 12 - HA3 GLY 17 lone 1 92 35 3 4.5-12.6 10683/3.6=2 QB ALA 12 - HA3 GLY 111 far 0 74 0 - 5.9-44.8 QB ALA 109 - HA2 GLY 17 far 0 91 0 - 6.0-43.0 HG3 LYS 26 - HA3 GLY 111 far 0 83 0 - 6.7-32.1 QB ALA 108 - HA3 GLY 17 far 0 100 0 - 6.7-40.0 QB ALA 108 - HA2 GLY 17 far 0 97 0 - 7.1-41.3 QB ALA 28 - HA3 GLY 17 far 0 97 0 - 7.2-21.0 QB ALA 28 - HA2 GLY 17 far 0 94 0 - 7.6-20.3 HG3 LYS 26 - HA2 GLY 17 far 0 96 0 - 7.7-20.6 QB ALA 29 - HA2 GLY 17 far 0 98 0 - 8.5-21.4 QB ALA 28 - HA3 GLY 111 far 0 80 0 - 8.6-24.9 HB2 LEU 42 - HA3 GLY 17 far 0 100 0 - 8.7-32.4 HB2 LEU 42 - HA2 GLY 17 far 0 98 0 - 8.9-32.3 QB ALA 29 - HA3 GLY 17 far 0 100 0 - 9.1-22.2 HG2 LYS 19 - HA3 GLY 111 far 0 85 0 - 9.2-50.1 HG3 LYS 26 - HA3 GLY 17 far 0 99 0 - 9.2-20.8 Violated in 0 structures by 0.00 A. Peak 10668 from aliabs.peaks (0.89, 3.96, 45.05 ppm; 4.31 A): 4 out of 26 assignments used, quality = 0.83: QG1 VAL 20 + HA2 GLY 17 OK 41 88 85 54 2.0-7.6 353/3.0=13, 2.1/343=12...(9) QG1 VAL 20 + HA3 GLY 17 OK 40 92 85 52 2.2-7.8 349/1.8=15, 353/3.0=13...(7) QG2 VAL 20 + HA2 GLY 17 OK 39 98 75 52 1.9-10.1 2.1/343=12, 2.1/349=11...(9) QG2 VAL 20 + HA3 GLY 17 OK 20 100 40 51 3.3-10.1 355/1.8=13, ~343=13...(7) QD1 LEU 22 - HA3 GLY 17 far 15 99 15 - 5.0-12.6 QD1 LEU 22 - HA2 GLY 17 far 10 97 10 - 5.6-12.5 QD2 LEU 48 - HA3 GLY 17 far 5 100 5 - 5.0-22.7 QD2 LEU 48 - HA2 GLY 17 far 5 98 5 - 5.5-23.1 QG2 VAL 63 - HA3 GLY 111 far 4 70 5 - 5.4-12.2 QD1 LEU 48 - HA3 GLY 17 far 0 90 0 - 6.1-23.4 QD1 LEU 48 - HA2 GLY 17 far 0 86 0 - 6.2-23.3 QD1 LEU 62 - HA3 GLY 111 far 0 65 0 - 6.4-13.3 QG1 VAL 20 - HA3 GLY 111 far 0 74 0 - 7.1-39.2 QG1 VAL 118 - HA3 GLY 111 far 0 86 0 - 7.4-14.7 QG2 VAL 20 - HA3 GLY 111 far 0 86 0 - 8.4-36.7 QD1 LEU 49 - HA2 GLY 17 far 0 81 0 - 8.5-29.2 QD1 LEU 62 - HA3 GLY 17 far 0 83 0 - 8.5-32.5 QD2 LEU 123 - HA2 GLY 17 far 0 93 0 - 8.5-31.0 QD2 LEU 69 - HA2 GLY 17 far 0 61 0 - 8.7-26.1 QD2 LEU 69 - HA3 GLY 17 far 0 65 0 - 8.9-24.9 QD1 LEU 62 - HA2 GLY 17 far 0 78 0 - 8.9-33.8 QG1 VAL 118 - HA3 GLY 17 far 0 100 0 - 9.3-33.8 QD2 LEU 123 - HA3 GLY 17 far 0 97 0 - 9.5-29.8 QD1 LEU 49 - HA3 GLY 17 far 0 85 0 - 9.7-27.9 QD1 LEU 22 - HA3 GLY 111 far 0 84 0 - 9.7-35.8 QG1 VAL 118 - HA2 GLY 17 far 0 98 0 - 10.0-35.1 Violated in 3 structures by 0.31 A. Peak 10669 from aliabs.peaks (0.90, 4.18, 69.56 ppm; 4.18 A): 1 out of 21 assignments used, quality = 0.68: QG1 VAL 20 + HB THR 18 OK 68 95 100 72 2.9-5.6 10685/3.0=33...(7) QD1 LEU 22 - HB THR 18 far 15 99 15 - 3.6-11.8 QD1 LEU 48 - HB THR 25 far 12 80 15 - 4.6-20.8 QG2 VAL 20 - HB THR 18 far 10 100 10 - 5.2-7.7 QD2 LEU 48 - HB THR 25 far 9 90 10 - 3.4-22.7 QD1 LEU 48 - HB THR 18 far 0 93 0 - 6.3-27.3 QD2 LEU 48 - HB THR 18 far 0 100 0 - 6.3-26.9 QD1 LEU 22 - HB THR 25 far 0 87 0 - 6.4-11.9 QG1 VAL 20 - HB THR 25 far 0 81 0 - 6.5-14.0 QG2 VAL 20 - HB THR 25 far 0 90 0 - 6.6-12.5 QD1 LEU 49 - HB THR 25 far 0 75 0 - 7.4-19.3 QD1 LEU 62 - HB THR 25 far 0 73 0 - 7.8-19.6 QG2 VAL 112 - HB THR 18 far 0 63 0 - 8.0-44.1 QD2 LEU 98 - HB THR 25 far 0 81 0 - 8.1-24.9 QG2 VAL 63 - HB THR 25 far 0 78 0 - 8.1-20.3 QD2 LEU 123 - HB THR 25 far 0 81 0 - 8.5-19.8 QG1 VAL 118 - HB THR 25 far 0 90 0 - 8.6-22.5 QD2 LEU 69 - HB THR 25 far 0 49 0 - 8.9-19.5 QD1 LEU 62 - HB THR 18 far 0 87 0 - 9.0-34.3 QG2 VAL 112 - HB THR 25 far 0 51 0 - 9.2-29.2 QG2 VAL 63 - HB THR 18 far 0 92 0 - 9.6-34.1 Violated in 17 structures by 0.83 A. Peak 10670 from aliabs.peaks (1.35, 4.18, 69.56 ppm; 4.06 A): 3 out of 23 assignments used, quality = 0.91: HG2 LYS 19 + HB THR 18 OK 81 92 90 98 3.0-6.2 6151/6146=46...(17) HG3 LYS 26 + HB THR 25 OK 34 56 70 88 2.7-7.8 4.9/6247=43...(26) HG2 LYS 24 + HB THR 25 OK 27 67 45 90 2.5-7.9 6234/6241=40, ~11128=15...(39) QB ALA 21 - HB THR 18 poor 13 98 35 38 4.0-8.8 10686/3.0=15...(5) QB ALA 29 - HB THR 25 poor 13 63 20 - 3.2-11.4 QB ALA 28 - HB THR 25 poor 9 49 45 42 2.0-7.9 ~10772=17, ~10779=9...(9) QB ALA 28 - HB THR 18 far 6 60 10 - 4.7-20.5 QB ALA 12 - HB THR 25 far 4 89 5 - 4.1-19.3 QB ALA 21 - HB THR 25 far 4 86 5 - 5.2-12.8 QB ALA 12 - HB THR 18 lone 4 100 45 8 1.9-13.2 10683/6140=2...(3) HG2 LYS 24 - HB THR 18 far 4 81 5 - 4.6-18.4 HG2 LYS 19 - HB THR 25 far 4 78 5 - 3.7-21.8 QB ALA 108 - HB THR 25 far 3 60 5 - 5.3-26.8 QB ALA 15 - HB THR 18 lone 1 68 45 5 3.9-8.9 10683/6140=4 HG2 LYS 36 - HB THR 18 far 0 71 0 - 5.8-35.4 QB ALA 110 - HB THR 25 far 0 53 0 - 6.1-31.1 QB ALA 110 - HB THR 18 far 0 65 0 - 6.4-46.6 QB ALA 15 - HB THR 25 far 0 56 0 - 7.3-19.4 QB ALA 29 - HB THR 18 far 0 76 0 - 7.8-21.9 QB ALA 46 - HB THR 25 far 0 77 0 - 8.3-20.8 QB ALA 108 - HB THR 18 far 0 73 0 - 8.9-42.4 HB2 LEU 42 - HB THR 18 far 0 87 0 - 9.4-36.6 HG2 LYS 36 - HB THR 25 far 0 58 0 - 9.5-25.9 Violated in 2 structures by 0.01 A. Peak 10678 from aliabs.peaks (1.81, 3.99, 62.40 ppm; 4.60 A): 2 out of 17 assignments used, quality = 1.00: HB3 LYS 19 + HA VAL 20 OK 99 99 100 100 4.3-5.3 6162/3.0=80...(23) HB3 ARG 23 + HA VAL 20 OK 51 100 55 93 3.8-10.9 6204/11783=56...(18) HB3 LYS 24 - HA VAL 20 far 15 100 15 - 4.8-10.4 HB3 LYS 31 - HA VAL 20 far 10 100 10 - 3.0-22.1 HB3 LYS 26 - HA VAL 20 far 5 100 5 - 2.6-18.2 HB3 LYS 26 - HB3 SER 51 far 4 74 5 - 5.1-29.6 HB3 ARG 23 - HB3 SER 51 far 4 73 5 - 5.7-30.9 HB3 LYS 19 - HB3 SER 51 far 4 72 5 - 5.3-37.6 HB3 LYS 24 - HB3 SER 51 far 0 74 0 - 6.7-30.2 HB2 LYS 36 - HA VAL 20 far 0 100 0 - 7.2-30.5 HB3 LEU 122 - HB2 SER 124 far 0 74 0 - 7.5-8.7 HB ILE 32 - HA VAL 20 far 0 100 0 - 8.1-22.1 HB3 LYS 26 - HA SER 50 far 0 94 0 - 8.8-26.2 HB3 ARG 23 - HA SER 50 far 0 94 0 - 8.9-28.3 HB3 LEU 122 - HA SER 50 far 0 67 0 - 9.3-11.7 HB2 LEU 100 - HB2 SER 124 far 0 96 0 - 9.4-11.9 HB3 LYS 19 - HA SER 50 far 0 93 0 - 9.9-36.6 Violated in 6 structures by 0.10 A. Peak 10679 from aliabs.peaks (1.75, 3.99, 62.40 ppm; 4.84 A): 2 out of 14 assignments used, quality = 1.00: HB2 LYS 19 + HA VAL 20 OK 100 100 100 100 4.1-4.8 6161/3.0=84, ~6162=60...(24) HB2 ARG 23 + HA VAL 20 OK 71 99 75 95 3.0-9.7 6203/11783=63...(18) HB2 LYS 31 - HA VAL 20 far 10 100 10 - 2.7-22.7 HB2 LYS 24 - HA VAL 20 far 10 100 10 - 5.5-11.5 HB2 LYS 26 - HA VAL 20 far 5 100 5 - 2.6-18.0 HB2 LYS 19 - HB3 SER 51 far 4 74 5 - 3.6-37.2 HB2 LYS 26 - HB3 SER 51 far 4 74 5 - 4.7-28.2 HB2 ARG 23 - HB3 SER 51 far 4 71 5 - 5.4-30.3 HB2 LYS 24 - HB3 SER 51 far 0 74 0 - 6.4-32.0 HB2 LYS 26 - HA SER 50 far 0 95 0 - 7.9-24.5 HB2 LYS 19 - HA SER 50 far 0 94 0 - 8.5-36.5 HG13 ILE 129 - HB2 SER 124 far 0 99 0 - 8.6-11.7 HB2 ARG 23 - HA SER 50 far 0 92 0 - 8.8-27.9 HG LEU 100 - HA SER 50 far 0 55 0 - 9.1-15.0 Violated in 0 structures by 0.00 A. Peak 10680 from aliabs.peaks (1.56, 3.99, 62.40 ppm; 4.61 A): 4 out of 15 assignments used, quality = 0.99: HG LEU 49 + HA SER 50 OK 89 89 100 100 3.6-5.0 6620/2.9=40, 2.1/9218=39...(39) HG2 ARG 23 + HA VAL 20 OK 71 100 75 95 2.0-9.2 6205/11783=50...(14) HG LEU 123 + HA SER 50 OK 65 94 70 99 2.7-6.8 2.1/11874=67...(27) HB2 LEU 22 + HA VAL 20 OK 56 89 70 91 3.8-8.9 6188/10724=52...(11) HG LEU 123 - HB2 SER 124 far 10 99 10 - 4.9-8.1 HB2 LEU 119 - HA SER 50 far 8 82 10 - 6.0-13.0 HG LEU 49 - HB3 SER 51 far 0 68 0 - 6.7-7.4 HG2 ARG 23 - HB3 SER 51 far 0 74 0 - 7.8-32.4 HG LEU 123 - HB3 SER 51 far 0 73 0 - 7.9-11.6 HB2 LEU 119 - HB2 SER 124 far 0 88 0 - 8.3-10.7 HB2 LEU 22 - HB3 SER 51 far 0 59 0 - 8.8-31.5 HG LEU 49 - HA VAL 20 far 0 97 0 - 9.1-29.8 HG13 ILE 37 - HA VAL 20 far 0 99 0 - 9.2-29.6 HG LEU 49 - HB2 SER 124 far 0 95 0 - 9.6-13.3 HB2 LEU 119 - HB3 SER 51 far 0 61 0 - 9.8-17.8 Violated in 0 structures by 0.00 A. Peak 10681 from aliabs.peaks (1.35, 3.99, 62.40 ppm; 5.01 A): 3 out of 23 assignments used, quality = 1.00: QB ALA 21 + HA VAL 20 OK 100 100 100 100 3.8-5.0 6181/6176=99...(21) QB ALA 46 + HA SER 50 OK 83 88 100 94 4.9-6.4 9213/2.9=39...(15) HG2 LYS 19 + HA VAL 20 OK 51 85 60 100 6.1-6.8 ~10712=62, ~10756=60...(21) QB ALA 12 - HA VAL 20 far 10 99 10 - 4.5-16.0 HG2 LYS 24 - HA VAL 20 lone 5 71 35 19 3.9-12.2 ~6164=4, 6163/3.0=3...(9) QB ALA 29 - HA VAL 20 far 3 65 5 - 5.3-16.7 QB ALA 108 - HA VAL 20 far 3 63 5 - 6.3-36.8 HG2 LYS 36 - HA VAL 20 far 3 60 5 - 6.3-28.5 HB2 LEU 96 - HB2 SER 124 far 3 58 5 - 6.5-9.2 QB ALA 29 - HA SER 50 far 3 57 5 - 6.4-18.6 HG2 LYS 19 - HB3 SER 51 far 3 56 5 - 4.8-39.5 QB ALA 29 - HB3 SER 51 far 2 41 5 - 6.3-19.6 HG2 LYS 24 - HB3 SER 51 far 0 45 0 - 6.7-31.4 QB ALA 21 - HB3 SER 51 far 0 73 0 - 6.7-29.4 QB ALA 12 - HB3 SER 51 far 0 71 0 - 7.4-32.2 QB ALA 46 - HB3 SER 51 far 0 66 0 - 7.5-8.8 QB ALA 46 - HB2 SER 124 far 0 94 0 - 8.1-10.8 HB2 LEU 96 - HA SER 50 far 0 52 0 - 9.3-12.1 HB3 LEU 100 - HA SER 50 far 0 70 0 - 9.3-13.2 HB3 LEU 100 - HB2 SER 124 far 0 76 0 - 9.7-10.8 QB ALA 21 - HA SER 50 far 0 94 0 - 9.8-27.9 QB ALA 108 - HB2 SER 124 far 0 61 0 - 9.9-20.6 HG2 LYS 19 - HA SER 50 far 0 76 0 - 10.0-38.8 Violated in 0 structures by 0.00 A. Peak 10683 from aliabs.peaks (1.40, 2.00, 32.54 ppm; 4.07 A): 0 out of 24 assignments used, quality = 0.00: QB ALA 15 - HB VAL 20 far 14 90 15 - 4.2-11.5 HG2 LYS 24 - HB VAL 20 far 12 81 15 - 2.1-12.3 HG3 LYS 31 - HB VAL 20 far 5 96 5 - 3.2-21.1 QB ALA 28 - HB VAL 20 far 5 95 5 - 4.8-16.8 QB ALA 110 - HB VAL 20 far 5 92 5 - 4.3-42.0 HG3 LYS 26 - HB VAL 20 far 5 90 5 - 5.1-17.0 HG2 LYS 36 - HB VAL 20 far 4 89 5 - 5.0-27.9 QB ALA 16 - HB VAL 20 lone 4 99 25 17 3.9-11.8 4.7/343=9, 11540/2.1=5, ~11966=3 QB ALA 16 - HB3 MET 11 far 2 44 5 - 2.6-12.5 QB ALA 28 - HB3 MET 11 far 2 40 5 - 4.2-25.5 HG2 LYS 19 - HB3 MET 11 far 1 24 5 - 5.2-20.3 QB ALA 108 - HB VAL 20 far 0 87 0 - 5.8-37.7 QB ALA 29 - HB VAL 20 far 0 85 0 - 6.1-18.6 HG2 LYS 19 - HB VAL 20 far 0 65 0 - 6.1-8.8 QB ALA 15 - HB3 MET 11 far 0 37 0 - 6.4-12.1 HG2 LYS 86 - HB2 PRO 81 far 0 24 0 - 6.7-10.2 QB ALA 109 - HB VAL 20 far 0 97 0 - 6.7-39.3 HG2 LYS 24 - HB3 MET 11 far 0 31 0 - 7.6-22.4 QB ALA 29 - HB3 MET 11 far 0 33 0 - 8.5-26.2 QB ALA 34 - HB VAL 20 far 0 89 0 - 8.5-25.7 QB ALA 108 - HB3 MET 11 far 0 35 0 - 8.6-46.8 QB ALA 34 - HB2 PRO 81 far 0 23 0 - 9.4-17.3 QB ALA 34 - HB3 MET 11 far 0 36 0 - 9.4-30.2 HG2 LYS 86 - HB3 MET 11 far 0 37 0 - 9.5-48.4 Violated in 13 structures by 0.58 A. Peak 10684 from aliabs.peaks (1.32, 2.00, 32.54 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.80: QB ALA 21 + HB VAL 20 OK 80 81 100 100 3.4-5.6 2.9/6177=88, ~6176=50...(10) QB ALA 21 - HB3 MET 11 far 0 31 0 - 7.5-20.3 Violated in 5 structures by 0.12 A. Peak 10685 from aliabs.peaks (0.67, 2.00, 32.54 ppm; 4.78 A): 0 out of 3 assignments used, quality = 0.00: QD1 LEU 43 - HB2 PRO 81 poor 6 30 20 - 5.9-12.4 QD2 LEU 62 - HB VAL 20 far 0 100 0 - 6.6-27.7 QD2 LEU 100 - HB VAL 20 far 0 100 0 - 9.6-28.9 Violated in 20 structures by 2.58 A. Peak 10688 from aliabs.peaks (4.27, 0.89, 20.84 ppm; 3.63 A): 4 out of 36 assignments used, quality = 0.91: HA LYS 19 + QG1 VAL 20 OK 55 56 100 98 4.1-4.7 4.2/10712=41...(22) HA ALA 21 + QG2 VAL 20 OK 49 68 75 96 3.6-5.6 ~10711=32, ~6177=30...(15) HA ARG 23 + QG2 VAL 20 OK 49 98 60 83 4.4-9.7 10727=20, ~11783=17...(19) HA THR 18 + QG1 VAL 20 OK 26 50 65 80 2.8-6.1 3.0/10669=46, 10685=26...(8) HA ALA 21 - QG1 VAL 20 poor 16 31 50 - 3.2-5.7 HA ALA 16 - QG1 VAL 20 poor 13 54 25 - 2.1-9.6 HA ALA 15 - QG1 VAL 20 poor 13 51 25 - 4.3-10.1 HA LEU 22 - QG2 VAL 20 far 10 100 10 - 4.0-7.8 HA ALA 16 - QG2 VAL 20 far 10 99 10 - 4.4-12.0 HA ALA 15 - QG2 VAL 20 far 10 97 10 - 2.8-12.0 HA LYS 26 - QG2 VAL 20 far 5 100 5 - 4.4-13.5 HA LYS 31 - QG2 VAL 20 far 5 100 5 - 4.6-18.5 HA LYS 19 - QG2 VAL 20 far 5 100 5 - 5.1-6.1 HA ALA 108 - QG2 VAL 20 far 5 99 5 - 5.0-37.2 HA GLN 61 - QG2 VAL 20 far 5 97 5 - 5.1-23.2 HA THR 18 - QG2 VAL 20 far 5 96 5 - 4.8-7.7 HA LYS 36 - QG1 VAL 20 far 5 46 10 - 4.1-26.6 HA ALA 28 - QG2 VAL 20 far 4 71 5 - 2.1-14.6 HA LYS 31 - QG1 VAL 20 far 3 56 5 - 2.4-18.7 HA LEU 22 - QG1 VAL 20 far 3 55 5 - 4.7-7.6 HA ARG 23 - QG1 VAL 20 far 3 52 5 - 4.2-9.6 HA ALA 12 - QG1 VAL 20 far 2 45 5 - 4.4-14.5 HA ALA 28 - QG1 VAL 20 far 2 33 5 - 3.6-16.8 HA ALA 110 - QG2 VAL 20 far 0 92 0 - 5.2-40.0 HA LYS 36 - QG2 VAL 20 far 0 92 0 - 5.8-24.3 HA ALA 108 - QG1 VAL 20 far 0 53 0 - 5.9-39.7 HA ALA 12 - QG2 VAL 20 far 0 90 0 - 5.9-15.4 HA THR 25 - QG2 VAL 20 far 0 81 0 - 6.2-11.6 HA LYS 26 - QG1 VAL 20 far 0 56 0 - 6.3-14.0 HA GLN 27 - QG2 VAL 20 far 0 78 0 - 6.4-13.4 HA THR 25 - QG1 VAL 20 far 0 38 0 - 6.5-13.5 HA ALA 110 - QG1 VAL 20 far 0 46 0 - 6.9-42.5 HA GLN 27 - QG1 VAL 20 far 0 37 0 - 7.1-14.3 HA GLN 61 - QG1 VAL 20 far 0 51 0 - 7.3-25.6 HA ALA 109 - QG2 VAL 20 far 0 99 0 - 7.4-39.2 HA ALA 109 - QG1 VAL 20 far 0 53 0 - 8.1-41.7 Violated in 8 structures by 0.07 A. Peak 10689 from aliabs.peaks (1.17, 4.26, 54.88 ppm; 5.70 A): 0 out of 4 assignments used, quality = 0.00: QG2 THR 25 - HA LEU 22 poor 20 99 20 - 3.3-9.5 QG2 THR 18 - HA LEU 22 lone 1 99 35 2 5.7-9.8 QB ALA 41 - HA LEU 22 far 0 100 0 - 7.5-24.8 HG12 ILE 32 - HA LEU 22 far 0 89 0 - 9.6-19.9 Violated in 17 structures by 0.95 A. Peak 10690 from aliabs.peaks (4.01, 0.84, 23.20 ppm; 3.58 A): 0 out of 5 assignments used, quality = 0.00: HA VAL 20 - QD2 LEU 22 poor 16 73 45 47 2.4-7.6 11783/6200=22...(8) HB2 SER 38 - QD2 LEU 22 far 0 97 0 - 7.4-29.0 HA SER 60 - QD2 LEU 22 far 0 100 0 - 7.8-26.6 HA ILE 37 - QD2 LEU 22 far 0 99 0 - 8.3-27.2 HA GLN 68 - QD2 LEU 22 far 0 96 0 - 9.2-21.8 Violated in 18 structures by 1.81 A. Peak 10693 from aliabs.peaks (1.37, 3.16, 42.99 ppm; 4.06 A): 0 out of 34 assignments used, quality = 0.00: QB ALA 21 - HD2 ARG 23 poor 14 72 20 - 4.5-9.4 HG3 LYS 26 - HD2 ARG 23 far 14 96 15 - 3.6-14.2 QB ALA 28 - HD3 ARG 23 far 14 93 15 - 4.4-13.9 QB ALA 28 - HD2 ARG 23 far 14 92 15 - 3.9-14.2 HG3 LYS 26 - HD3 ARG 23 far 10 97 10 - 4.0-13.6 QB ALA 15 - HD2 ARG 23 far 10 96 10 - 5.0-17.8 QB ALA 21 - HD3 ARG 23 far 7 73 10 - 3.9-9.5 QB ALA 12 - HD3 ARG 23 far 5 97 5 - 5.0-15.3 QB ALA 12 - HD2 ARG 23 far 5 96 5 - 4.6-15.6 QB ALA 110 - HD3 ARG 23 far 5 96 5 - 4.6-38.5 QB ALA 110 - HD2 ARG 23 far 5 95 5 - 5.3-37.2 HG3 LYS 31 - HD3 ARG 23 far 5 92 5 - 4.6-20.3 HG3 LYS 31 - HD2 ARG 23 far 5 91 5 - 3.1-20.5 QB ALA 109 - HD3 ARG 23 far 4 89 5 - 3.4-36.1 QB ALA 109 - HD2 ARG 23 far 4 88 5 - 4.7-34.7 QB ALA 15 - HD3 ARG 23 far 0 97 0 - 6.0-18.4 HG2 LYS 24 - HD2 ARG 23 far 0 99 0 - 6.0-10.1 QB ALA 29 - HD3 ARG 23 far 0 99 0 - 6.2-15.2 QB ALA 29 - HD2 ARG 23 far 0 98 0 - 6.2-15.6 HG2 LYS 24 - HD3 ARG 23 far 0 99 0 - 6.5-10.7 QB ALA 108 - HD2 ARG 23 far 0 97 0 - 6.6-33.3 HG2 LYS 36 - HD3 ARG 23 far 0 97 0 - 6.8-25.6 HG2 LYS 19 - HD3 ARG 23 far 0 100 0 - 6.8-16.2 QB ALA 16 - HD3 ARG 23 far 0 81 0 - 6.8-15.8 QB ALA 108 - HD3 ARG 23 far 0 98 0 - 7.0-34.7 HG2 LYS 36 - HD2 ARG 23 far 0 97 0 - 7.1-25.7 QB ALA 16 - HD2 ARG 23 far 0 80 0 - 7.2-15.8 HG2 LYS 19 - HD2 ARG 23 far 0 100 0 - 8.1-15.8 HG2 LYS 95 - HD3 ARG 90 far 0 76 0 - 9.1-13.9 QB ALA 28 - HD2 ARG 90 far 0 78 0 - 9.4-27.7 QB ALA 28 - HD3 ARG 90 far 0 82 0 - 9.7-26.9 HG LEU 96 - HD3 ARG 90 far 0 55 0 - 9.7-14.0 HG2 LYS 95 - HD2 ARG 90 far 0 72 0 - 9.7-13.8 HG3 LYS 95 - HD3 ARG 90 far 0 81 0 - 9.9-14.2 Violated in 12 structures by 0.59 A. Peak 10697 from aliabs.peaks (0.74, 3.16, 42.99 ppm; 4.70 A): 0 out of 12 assignments used, quality = 0.00: QG1 VAL 93 - HD3 ARG 90 far 13 89 15 - 5.6-8.5 QG1 VAL 93 - HD2 ARG 90 far 9 85 10 - 5.6-8.1 QD1 ILE 32 - HD3 ARG 23 far 3 68 5 - 3.5-16.9 QD1 ILE 32 - HD2 ARG 23 far 3 67 5 - 3.7-16.9 QD1 ILE 37 - HD3 ARG 23 far 0 68 0 - 7.3-23.2 QD1 ILE 37 - HD2 ARG 23 far 0 67 0 - 7.9-24.1 QD2 LEU 96 - HD3 ARG 90 far 0 90 0 - 8.3-10.7 QD2 LEU 96 - HD2 ARG 90 far 0 86 0 - 8.6-10.1 HG12 ILE 129 - HD3 ARG 90 far 0 92 0 - 8.7-11.3 HG12 ILE 129 - HD2 ARG 90 far 0 88 0 - 8.8-11.4 QD1 ILE 32 - HD2 ARG 90 far 0 54 0 - 9.8-22.1 QD2 LEU 103 - HD2 ARG 23 far 0 97 0 - 9.9-26.2 Violated in 19 structures by 1.00 A. Peak 10700 from aliabs.peaks (0.78, 4.33, 56.43 ppm; 4.96 A): 4 out of 28 assignments used, quality = 1.00: QD1 LEU 103 + HA ASN 59 OK 91 91 100 100 3.7-6.4 2.1/10350=92...(22) QG1 VAL 63 + HA ASN 59 OK 91 91 100 100 5.1-6.0 ~10967=50, 2027/6800=34...(24) QD2 LEU 119 + HA ASN 59 OK 74 90 90 91 1.8-10.9 10992/11000=33...(22) QD2 LEU 49 + HA ASP 47 OK 68 75 100 91 5.3-6.0 11700/2.9=26...(19) QD1 LEU 53 - HA ASP 47 poor 16 80 20 - 6.1-8.6 QD1 ILE 32 - HA LYS 24 far 14 90 15 - 2.5-12.8 QD1 LEU 122 - HA ASN 59 poor 11 66 40 42 5.4-9.8 2.1/9259=17...(10) QD2 LEU 122 - HA ASN 59 poor 11 91 25 47 5.5-10.0 9259=19, 9395/1880=13...(11) QD1 LEU 53 - HA ASN 59 far 9 87 10 - 6.1-11.5 QG1 VAL 63 - HA LYS 24 far 0 100 0 - 6.7-22.6 QD1 ILE 32 - HA ASP 47 far 0 70 0 - 7.7-15.3 QD1 ILE 37 - HA LYS 24 far 0 90 0 - 7.7-21.6 QD1 LEU 122 - HA ASP 47 far 0 59 0 - 7.8-11.5 QD1 ILE 32 - HA ASN 59 far 0 78 0 - 7.8-16.3 QD2 LEU 49 - HA ASN 59 far 0 83 0 - 8.1-10.6 QD2 LEU 49 - HA LYS 24 far 0 95 0 - 8.4-20.4 QD2 LEU 122 - HA ASP 47 far 0 84 0 - 8.4-12.8 QD1 ILE 37 - HA ASP 47 far 0 70 0 - 8.7-14.4 QD2 LEU 119 - HA LYS 24 far 0 100 0 - 8.9-24.9 QD1 LEU 70 - HA ASN 59 far 0 52 0 - 8.9-13.1 QD1 LEU 96 - HA LYS 24 far 0 97 0 - 9.0-22.3 QD1 LEU 96 - HA ASP 47 far 0 78 0 - 9.0-13.0 QD2 LEU 119 - HA ASP 47 far 0 83 0 - 9.1-17.2 QD2 LEU 122 - HA LYS 24 far 0 100 0 - 9.5-21.9 QD1 LEU 70 - HA ASP 47 far 0 46 0 - 9.6-14.3 QD1 LEU 53 - HA LYS 24 far 0 98 0 - 9.8-22.0 QD1 LEU 96 - HA ASN 59 far 0 85 0 - 9.8-13.2 QD1 LEU 70 - HA LYS 24 far 0 63 0 - 9.9-22.7 Violated in 0 structures by 0.00 A. Peak 10702 from aliabs.peaks (0.89, 1.74, 32.59 ppm; 4.23 A): 2 out of 45 assignments used, quality = 0.94: QG1 VAL 20 + HB2 LYS 19 OK 76 76 100 100 2.5-5.4 10712/3.0=74...(19) QG2 VAL 20 + HB2 LYS 19 OK 74 99 75 100 3.8-6.4 ~10712=62, 354/6161=55...(20) QD1 LEU 22 - HB2 LYS 24 poor 20 100 20 - 3.7-8.8 QD1 LEU 22 - HB2 LYS 19 poor 17 100 30 57 3.9-10.2 409/3.0=14, 10720/1.8=10...(21) QG2 VAL 20 - HB2 LYS 31 far 15 98 15 - 3.2-18.7 QG1 VAL 20 - HB2 LYS 24 far 11 76 15 - 4.0-11.1 QG2 VAL 20 - HB2 LYS 24 far 10 99 10 - 3.7-9.6 QG2 VAL 20 - HB2 LYS 26 far 10 99 10 - 4.1-13.6 QG1 VAL 20 - HB2 LYS 31 far 8 75 10 - 2.3-19.1 QD1 LEU 48 - HB2 LYS 24 far 7 73 10 - 4.3-21.9 QD1 LEU 48 - HB2 LYS 26 far 7 73 10 - 5.3-18.9 QG1 VAL 118 - HB2 LYS 24 far 5 99 5 - 5.5-24.6 QD2 LEU 48 - HB2 LYS 26 far 5 97 5 - 4.7-20.8 QD2 LEU 48 - HB2 LYS 24 far 5 97 5 - 5.3-22.5 QD2 LEU 48 - HB2 LYS 19 far 5 97 5 - 4.8-26.6 QG1 VAL 20 - HB2 LYS 26 far 4 76 5 - 5.2-15.8 QD1 LEU 48 - HB2 LYS 19 far 4 73 5 - 2.0-26.6 QD1 LEU 98 - HB2 LYS 24 far 3 68 5 - 3.8-29.5 QG2 VAL 63 - HB2 LYS 26 far 0 71 0 - 5.9-17.1 QD1 LEU 22 - HB2 LYS 26 far 0 100 0 - 6.2-12.9 QD2 LEU 98 - HB2 LYS 24 far 0 100 0 - 6.4-27.4 QG1 VAL 20 - HB2 LYS 39 far 0 37 0 - 6.7-29.4 QD1 LEU 62 - HB2 LYS 26 far 0 63 0 - 6.8-18.6 QD1 LEU 98 - HB2 LYS 26 far 0 68 0 - 6.9-24.7 QD1 LEU 49 - HB2 LYS 26 far 0 65 0 - 6.9-17.6 QD1 LEU 22 - HB2 LYS 31 far 0 100 0 - 7.1-19.0 QG2 VAL 57 - HB2 LYS 19 far 0 63 0 - 7.2-30.6 QD2 LEU 123 - HB2 LYS 26 far 0 100 0 - 7.4-17.7 QD2 LEU 70 - HB2 LYS 26 far 0 63 0 - 7.5-16.8 QD1 LEU 49 - HB2 LYS 19 far 0 65 0 - 7.7-28.6 QD2 LEU 48 - HB2 LYS 31 far 0 97 0 - 7.7-19.5 QD2 LEU 98 - HB2 LYS 26 far 0 100 0 - 8.0-23.6 QD1 LEU 48 - HB2 LYS 31 far 0 73 0 - 8.1-18.7 QD2 LEU 69 - HB2 LYS 26 far 0 85 0 - 8.4-16.7 QG1 VAL 118 - HB2 LYS 26 far 0 99 0 - 8.4-19.0 QG2 VAL 63 - HB2 LYS 24 far 0 71 0 - 8.5-23.7 QD2 LEU 123 - HB2 LYS 19 far 0 100 0 - 8.5-30.2 QD2 LEU 69 - HB2 LYS 39 far 0 43 0 - 8.7-13.0 QD2 LEU 69 - HB2 LYS 31 far 0 84 0 - 8.9-15.0 QG2 VAL 57 - HB2 LYS 26 far 0 63 0 - 9.0-20.6 QG2 VAL 57 - HB2 LYS 24 far 0 63 0 - 9.1-23.1 QG2 VAL 20 - HB2 LYS 39 far 0 55 0 - 9.1-29.1 QD2 LEU 70 - HB2 LYS 31 far 0 62 0 - 9.3-17.2 QD1 LEU 62 - HB2 LYS 24 far 0 63 0 - 9.5-23.7 QD2 LEU 69 - HB2 LYS 24 far 0 85 0 - 9.7-20.3 Violated in 5 structures by 0.13 A. Peak 10704 from aliabs.peaks (0.78, 1.38, 24.61 ppm; 3.99 A): 3 out of 29 assignments used, quality = 0.75: QD1 ILE 37 + HG2 LYS 36 OK 51 69 75 99 1.9-7.5 6417/6406=50...(22) QD1 ILE 32 + HG2 LYS 36 OK 30 69 45 99 3.5-8.1 ~10901=29, 3.0/10900=25...(66) QD1 ILE 32 + HG3 LYS 26 OK 28 94 40 75 3.7-12.5 10753/4.0=8, ~10767=7...(40) QD1 ILE 32 - HG3 LYS 31 poor 18 89 25 79 3.9-8.3 10802/5.0=20...(38) QG1 VAL 63 - HG2 LYS 24 far 5 100 5 - 5.0-23.4 QD1 ILE 32 - HG2 LYS 24 far 5 97 5 - 5.3-14.6 QG1 VAL 63 - HG3 LYS 26 far 5 97 5 - 4.9-16.8 QD1 ILE 37 - HG3 LYS 26 far 0 94 0 - 6.5-19.1 QD2 LEU 49 - HG2 LYS 36 far 0 56 0 - 6.9-14.6 QD2 LEU 119 - HG2 LYS 24 far 0 97 0 - 7.1-25.0 QD1 LEU 122 - HG3 LYS 26 far 0 58 0 - 7.2-18.6 QG1 VAL 63 - HG3 LYS 31 far 0 93 0 - 7.4-16.2 QD2 LEU 49 - HG3 LYS 26 far 0 80 0 - 7.6-17.0 QD2 LEU 119 - HG3 LYS 26 far 0 93 0 - 7.7-22.2 QG1 VAL 93 - HG3 LYS 31 far 0 54 0 - 7.9-19.9 QD2 LEU 96 - HG2 LYS 36 far 0 37 0 - 8.2-15.5 QD1 ILE 37 - HG2 LYS 24 far 0 97 0 - 8.3-21.8 QD2 LEU 49 - HG2 LYS 24 far 0 85 0 - 8.3-19.4 QD1 ILE 37 - HG3 LYS 31 far 0 89 0 - 8.4-13.6 QD1 LEU 103 - HG3 LYS 26 far 0 97 0 - 8.5-22.5 QD2 LEU 49 - HG3 LYS 31 far 0 75 0 - 8.8-16.9 QD1 LEU 53 - HG3 LYS 26 far 0 87 0 - 8.9-23.1 QD2 LEU 122 - HG3 LYS 26 far 0 95 0 - 8.9-17.6 QD1 ILE 32 - HG2 LYS 19 far 0 92 0 - 9.0-22.2 QG1 VAL 93 - HG2 LYS 36 far 0 39 0 - 9.0-15.3 QD1 LEU 96 - HG2 LYS 36 far 0 72 0 - 9.2-14.6 QD1 LEU 122 - HG2 LYS 36 far 0 39 0 - 9.7-19.3 QD1 LEU 122 - HG2 LYS 24 far 0 63 0 - 9.9-24.3 QD1 ILE 37 - HG2 LYS 19 far 0 92 0 - 9.9-28.4 Violated in 6 structures by 0.27 A. Peak 10712 from aliabs.peaks (0.89, 1.43, 24.54 ppm; 3.53 A): 1 out of 35 assignments used, quality = 0.24: QG1 VAL 20 + HG3 LYS 19 OK 24 72 35 95 4.5-6.7 10714/1.8=60...(16) QD1 LEU 22 - HG3 LYS 24 poor 17 68 25 - 3.3-9.1 QG2 VAL 20 - HG2 LYS 26 far 10 99 10 - 3.5-14.9 QD1 LEU 22 - HG3 LYS 19 far 10 97 10 - 3.1-11.7 QG2 VAL 20 - HG3 LYS 24 far 7 65 10 - 2.9-9.5 QD2 LEU 48 - HG2 LYS 26 far 5 98 5 - 3.1-22.1 QG1 VAL 20 - HG3 LYS 24 far 5 46 10 - 2.8-11.5 QD1 LEU 48 - HG3 LYS 24 far 4 44 10 - 4.7-21.9 QG1 VAL 20 - HG2 LYS 26 far 4 78 5 - 4.8-17.0 QD1 LEU 48 - HG2 LYS 26 far 4 76 5 - 2.7-20.3 QD1 LEU 48 - HG3 LYS 19 far 4 70 5 - 3.2-28.5 QD2 LEU 98 - HG3 LYS 24 far 3 67 5 - 4.2-29.1 QG1 VAL 118 - HG3 LYS 24 far 3 65 5 - 3.1-25.8 QD1 LEU 98 - HG3 LYS 24 far 2 37 5 - 1.9-31.0 QG2 VAL 20 - HG3 LYS 19 far 0 95 0 - 5.4-8.1 QD2 LEU 48 - HG3 LYS 19 far 0 94 0 - 5.5-28.4 QD2 LEU 48 - HG3 LYS 24 far 0 64 0 - 5.6-21.0 QD2 LEU 123 - HG2 LYS 26 far 0 100 0 - 6.2-18.8 QD1 LEU 49 - HG2 LYS 26 far 0 68 0 - 6.3-18.9 QG2 VAL 57 - HG3 LYS 19 far 0 55 0 - 6.8-31.5 QD1 LEU 22 - HG2 LYS 26 far 0 100 0 - 6.9-13.1 QG2 VAL 63 - HG2 LYS 26 far 0 73 0 - 7.0-17.2 QD1 LEU 62 - HG2 LYS 26 far 0 65 0 - 7.1-18.2 QD1 LEU 98 - HG2 LYS 26 far 0 65 0 - 7.3-26.7 QD2 LEU 98 - HG2 LYS 26 far 0 100 0 - 7.7-25.5 QG2 VAL 57 - HG2 LYS 26 far 0 60 0 - 7.9-22.1 QD1 LEU 49 - HG3 LYS 19 far 0 63 0 - 8.0-30.3 QG2 VAL 63 - HG3 LYS 24 far 0 42 0 - 8.2-24.8 QG2 VAL 57 - HG3 LYS 24 far 0 34 0 - 8.3-24.0 QD2 LEU 69 - HG2 LYS 26 far 0 83 0 - 8.6-18.2 QD2 LEU 70 - HG2 LYS 26 far 0 60 0 - 8.7-17.3 QD2 LEU 123 - HG3 LYS 19 far 0 96 0 - 8.8-31.5 QG1 VAL 118 - HG2 LYS 26 far 0 99 0 - 8.8-18.8 QD2 LEU 70 - HG3 LYS 24 far 0 34 0 - 9.5-23.1 QD1 LEU 62 - HG3 LYS 24 far 0 37 0 - 9.8-24.6 Violated in 20 structures by 1.97 A. Peak 10713 from aliabs.peaks (0.72, 1.43, 24.54 ppm; 4.40 A): 0 out of 3 assignments used, quality = 0.00: QD2 LEU 43 - HG2 LYS 26 far 0 81 0 - 7.5-24.7 QD2 LEU 103 - HG2 LYS 26 far 0 97 0 - 7.8-20.3 QG1 VAL 93 - HG3 LYS 24 far 0 37 0 - 9.8-25.7 Violated in 20 structures by 7.39 A. Peak 10714 from aliabs.peaks (0.89, 1.38, 24.54 ppm; 3.50 A): 1 out of 44 assignments used, quality = 0.31: QG1 VAL 20 + HG2 LYS 19 OK 31 70 45 97 4.2-7.1 10712/1.8=71...(18) QD1 LEU 22 - HG2 LYS 19 poor 18 89 20 - 4.1-11.5 QG2 VAL 20 - HG3 LYS 26 far 10 100 10 - 4.4-13.8 QG2 VAL 20 - HG2 LYS 24 far 10 97 10 - 2.8-9.6 QG1 VAL 20 - HG3 LYS 31 far 8 83 10 - 3.8-18.0 QG1 VAL 20 - HG2 LYS 24 far 8 80 10 - 2.0-12.0 QD1 LEU 22 - HG2 LYS 24 poor 6 98 25 26 3.8-8.2 10733/6222=15...(6) QD2 LEU 48 - HG3 LYS 26 far 5 99 5 - 4.5-22.2 QG2 VAL 20 - HG3 LYS 31 far 5 99 5 - 4.6-17.3 QG1 VAL 118 - HG2 LYS 24 far 5 97 5 - 3.9-25.9 QD1 LEU 48 - HG3 LYS 26 far 4 83 5 - 4.1-20.4 QD1 LEU 48 - HG2 LYS 24 far 4 78 5 - 4.8-21.4 QD1 LEU 48 - HG2 LYS 19 far 3 68 5 - 4.1-28.5 QG2 VAL 20 - HG2 LYS 36 far 3 59 5 - 4.8-22.1 QG1 VAL 20 - HG2 LYS 36 far 2 45 5 - 2.4-24.4 QD2 LEU 69 - HG2 LYS 36 far 2 39 5 - 4.4-12.9 QD2 LEU 48 - HG2 LYS 24 far 0 96 0 - 5.1-22.2 QD1 LEU 48 - HG2 LYS 36 far 0 43 0 - 5.3-15.0 QG1 VAL 20 - HG3 LYS 26 far 0 85 0 - 5.5-16.0 QD2 LEU 98 - HG2 LYS 24 far 0 96 0 - 5.5-29.1 QG2 VAL 20 - HG2 LYS 19 far 0 89 0 - 5.8-7.7 QD1 LEU 49 - HG3 LYS 26 far 0 76 0 - 6.1-18.6 QD2 LEU 123 - HG3 LYS 26 far 0 99 0 - 6.4-18.3 QG2 VAL 63 - HG3 LYS 26 far 0 81 0 - 6.5-18.2 QD2 LEU 48 - HG2 LYS 19 far 0 88 0 - 6.5-28.5 QD2 LEU 48 - HG2 LYS 36 far 0 58 0 - 6.7-16.5 QD1 LEU 62 - HG3 LYS 26 far 0 73 0 - 6.8-18.8 QD2 LEU 48 - HG3 LYS 31 far 0 98 0 - 7.0-20.1 QD1 LEU 22 - HG3 LYS 26 far 0 100 0 - 7.1-12.4 QD1 LEU 48 - HG3 LYS 31 far 0 80 0 - 7.1-18.3 QG2 VAL 63 - HG2 LYS 24 far 0 76 0 - 7.2-24.5 QD2 LEU 69 - HG3 LYS 31 far 0 74 0 - 8.4-16.2 QD2 LEU 69 - HG3 LYS 26 far 0 76 0 - 8.4-18.2 QD1 LEU 22 - HG3 LYS 31 far 0 99 0 - 8.4-18.1 QD2 LEU 98 - HG3 LYS 26 far 0 99 0 - 8.4-24.9 QD1 LEU 62 - HG2 LYS 24 far 0 69 0 - 8.7-24.5 QD2 LEU 123 - HG2 LYS 36 far 0 58 0 - 8.8-19.7 QD1 LEU 49 - HG2 LYS 36 far 0 39 0 - 9.1-16.9 QG1 VAL 118 - HG3 LYS 26 far 0 100 0 - 9.1-20.0 QD1 LEU 62 - HG2 LYS 19 far 0 60 0 - 9.2-33.4 QD1 LEU 22 - HG2 LYS 36 far 0 60 0 - 9.2-27.5 QD1 LEU 49 - HG2 LYS 19 far 0 62 0 - 9.2-30.5 QG2 VAL 63 - HG3 LYS 31 far 0 78 0 - 9.3-17.8 QD2 LEU 123 - HG2 LYS 19 far 0 87 0 - 9.8-31.3 Violated in 20 structures by 1.78 A. Peak 10716 from aliabs.peaks (0.66, 1.38, 24.54 ppm; 4.30 A): 0 out of 13 assignments used, quality = 0.00: QD1 LEU 42 - HG2 LYS 36 poor 8 34 25 - 4.4-12.2 QD2 LEU 62 - HG3 LYS 26 far 0 89 0 - 7.3-18.1 QD2 LEU 100 - HG3 LYS 26 far 0 85 0 - 7.5-19.2 QD1 LEU 43 - HG2 LYS 24 far 0 82 0 - 8.3-26.3 QD2 LEU 100 - HG2 LYS 24 far 0 80 0 - 8.6-23.6 QD1 ILE 129 - HG2 LYS 36 far 0 56 0 - 9.2-16.1 QD1 LEU 42 - HG3 LYS 26 far 0 68 0 - 9.4-22.5 QD2 LEU 62 - HG2 LYS 24 far 0 84 0 - 9.5-22.0 QD1 LEU 42 - HG3 LYS 31 far 0 66 0 - 9.5-18.2 QD1 LEU 43 - HG2 LYS 36 far 0 46 0 - 9.5-14.1 QD1 LEU 43 - HG3 LYS 26 far 0 87 0 - 9.6-25.9 QD2 LEU 62 - HG3 LYS 31 far 0 86 0 - 9.7-18.5 QD2 LEU 100 - HG3 LYS 31 far 0 83 0 - 9.8-17.2 Violated in 20 structures by 2.10 A. Peak 10718 from aliabs.peaks (0.76, 1.66, 28.90 ppm; 5.06 A): 11 out of 70 assignments used, quality = 1.00: QD1 ILE 37 + HD2 LYS 36 OK 92 92 100 100 1.8-6.5 10918/1.8=55...(24) QD1 ILE 37 + HD3 LYS 36 OK 88 93 95 100 2.1-7.5 10918=55, 10918/1.8=43...(23) QD1 ILE 32 + HD2 LYS 36 OK 88 92 95 100 2.2-6.6 ~10901=38, 930/10837=34...(114) QD1 ILE 32 + HD3 LYS 36 OK 84 93 90 100 2.9-7.6 ~10901=38, 930/10837=32...(114) QD2 LEU 96 + HD3 LYS 95 OK 64 94 75 91 4.9-8.8 11694=31, 11441/5.0=24...(24) QD1 ILE 32 + HD3 LYS 31 OK 52 99 55 96 1.8-8.7 10802/6.2=15...(88) QD1 ILE 32 + HD2 LYS 26 OK 52 99 55 95 4.0-13.3 ~10767=15, 10704/2.9=15...(84) QD1 ILE 32 + HD2 LYS 31 OK 47 98 50 96 2.7-8.9 10802/6.2=15...(100) QG1 VAL 93 + HD3 LYS 95 OK 47 95 50 98 5.6-8.4 2.1/9828=66, 11324=41...(19) QD1 ILE 32 + HD3 LYS 26 OK 46 98 50 93 2.8-12.9 10704/2.9=15...(73) QD2 LEU 96 + HD2 LYS 95 OK 28 92 35 88 4.8-8.6 11694/1.8=31...(23) QD1 LEU 96 - HD3 LYS 95 poor 19 94 20 - 6.4-9.2 QD1 LEU 96 - HD2 LYS 95 far 9 92 10 - 6.1-8.9 QD1 ILE 32 - HD3 LYS 24 far 9 89 10 - 6.1-14.4 QD1 ILE 37 - HD2 LYS 26 far 5 99 5 - 6.3-20.3 QD1 ILE 37 - HD3 LYS 26 far 5 98 5 - 5.3-20.4 QD1 ILE 32 - HD2 LYS 24 far 5 93 5 - 5.8-14.0 QG1 VAL 93 - HD2 LYS 95 far 5 93 5 - 6.3-8.5 HG12 ILE 129 - HD3 LYS 95 far 5 91 5 - 6.1-9.8 HG12 ILE 129 - HD2 LYS 95 far 4 88 5 - 5.5-11.0 QG1 VAL 63 - HD2 LYS 26 far 4 81 5 - 6.4-17.4 QG1 VAL 63 - HD3 LYS 31 far 4 80 5 - 5.9-16.1 QD2 LEU 43 - HD3 LYS 36 far 4 80 5 - 6.2-14.8 QD2 LEU 43 - HD2 LYS 36 far 4 80 5 - 6.2-13.3 QG1 VAL 63 - HD2 LYS 31 far 4 79 5 - 6.2-15.8 QD1 ILE 32 - HD3 LYS 19 far 0 70 0 - 6.9-22.8 QG1 VAL 93 - HD3 LYS 31 far 0 96 0 - 7.0-20.5 QD2 LEU 119 - HD3 LYS 24 far 0 52 0 - 7.1-26.2 QG1 VAL 63 - HD3 LYS 26 far 0 80 0 - 7.2-17.5 QD1 ILE 32 - HD2 LYS 19 far 0 75 0 - 7.2-22.4 QG1 VAL 63 - HD3 LYS 24 far 0 69 0 - 7.3-24.2 QD1 ILE 37 - HD3 LYS 31 far 0 99 0 - 7.4-14.0 QG1 VAL 63 - HD2 LYS 24 far 0 72 0 - 7.4-25.1 QD2 LEU 122 - HD3 LYS 95 far 0 69 0 - 7.4-10.6 QD2 LEU 122 - HD2 LYS 95 far 0 67 0 - 7.6-11.2 QG1 VAL 93 - HD2 LYS 31 far 0 95 0 - 7.6-20.5 QD1 LEU 103 - HD3 LYS 26 far 0 82 0 - 7.7-22.5 QD2 LEU 103 - HD3 LYS 26 far 0 62 0 - 7.8-21.0 QD1 ILE 37 - HD2 LYS 31 far 0 98 0 - 7.8-15.0 QD1 LEU 96 - HD3 LYS 36 far 0 88 0 - 8.3-13.7 QD1 ILE 37 - HD3 LYS 24 far 0 89 0 - 8.3-21.7 QD1 LEU 96 - HD2 LYS 36 far 0 88 0 - 8.4-13.3 QD2 LEU 96 - HD2 LYS 36 far 0 88 0 - 8.4-14.0 QG1 VAL 63 - HD2 LYS 36 far 0 72 0 - 8.5-15.0 QD2 LEU 119 - HD2 LYS 24 far 0 55 0 - 8.5-26.8 QD2 LEU 122 - HD3 LYS 24 far 0 59 0 - 8.6-23.4 QD2 LEU 119 - HD3 LYS 26 far 0 62 0 - 8.6-22.9 QG1 VAL 63 - HD3 LYS 36 far 0 72 0 - 8.7-16.1 QD1 LEU 96 - HD3 LYS 24 far 0 84 0 - 9.0-24.8 QD2 LEU 43 - HD3 LYS 24 far 0 77 0 - 9.0-25.9 QD1 LEU 103 - HD2 LYS 26 far 0 83 0 - 9.0-23.2 QG1 VAL 93 - HD2 LYS 36 far 0 89 0 - 9.1-13.6 QD2 LEU 43 - HD3 LYS 26 far 0 88 0 - 9.1-25.3 QD2 LEU 103 - HD2 LYS 26 far 0 63 0 - 9.1-20.9 QD2 LEU 122 - HD2 LYS 24 far 0 63 0 - 9.2-24.2 QD1 LEU 96 - HD2 LYS 24 far 0 88 0 - 9.2-24.9 QG1 VAL 93 - HD2 LYS 24 far 0 89 0 - 9.3-25.4 QD1 ILE 37 - HD2 LYS 24 far 0 93 0 - 9.3-21.9 QD2 LEU 43 - HD2 LYS 26 far 0 89 0 - 9.5-24.0 QG1 VAL 93 - HD3 LYS 36 far 0 89 0 - 9.5-14.4 QD2 LEU 43 - HD2 LYS 24 far 0 80 0 - 9.6-26.4 QD2 LEU 119 - HD2 LYS 26 far 0 63 0 - 9.6-23.4 QD2 LEU 96 - HD3 LYS 31 far 0 96 0 - 9.6-19.8 QD1 LEU 96 - HD2 LYS 31 far 0 94 0 - 9.6-19.0 QD2 LEU 96 - HD3 LYS 36 far 0 88 0 - 9.7-14.2 QD1 LEU 96 - HD3 LYS 31 far 0 96 0 - 9.7-18.6 QG1 VAL 93 - HD3 LYS 24 far 0 86 0 - 9.8-26.7 QD2 LEU 43 - HD2 LYS 31 far 0 87 0 - 9.8-19.8 QD2 LEU 122 - HD2 LYS 31 far 0 69 0 - 9.8-19.1 QD2 LEU 96 - HD2 LYS 31 far 0 94 0 - 10.0-18.7 Violated in 0 structures by 0.00 A. Peak 10720 from aliabs.peaks (0.87, 1.81, 32.59 ppm; 4.25 A): 3 out of 44 assignments used, quality = 0.67: QG2 ILE 32 + HB2 LYS 36 OK 41 46 90 100 1.7-7.8 10901/3.0=47...(43) QG2 VAL 20 + HB3 LYS 19 OK 29 58 50 100 4.6-6.7 2.1/10712=61...(20) QD1 LEU 22 + HB3 LYS 19 OK 21 73 55 52 2.6-10.2 409/3.0=10, 10703/3.0=8...(21) QD2 LEU 22 - HB3 LYS 19 poor 19 63 30 - 4.2-9.6 QG2 ILE 32 - HB3 LYS 26 poor 18 65 35 77 3.5-13.3 3.2/889=11, 10748/1.8=9...(36) QD2 LEU 22 - HB3 LYS 24 poor 14 71 20 - 4.9-8.4 QD2 LEU 69 - HB2 LYS 36 far 12 81 15 - 4.5-13.3 QG2 VAL 20 - HB3 LYS 24 far 10 65 15 - 4.4-9.6 QG2 ILE 32 - HB3 LYS 24 far 7 65 10 - 2.4-16.8 QG2 VAL 20 - HB3 LYS 26 far 7 65 10 - 3.7-14.4 QG2 VAL 20 - HB3 LYS 31 far 6 64 10 - 3.4-18.3 QD2 LEU 48 - HB3 LYS 26 far 6 60 10 - 3.2-21.9 QD1 LEU 98 - HB3 LYS 24 far 5 99 5 - 3.3-29.2 QG2 VAL 20 - HB2 LYS 36 far 5 46 10 - 4.6-23.7 QD1 LEU 22 - HB3 LYS 24 poor 4 80 25 22 2.8-8.4 10703/2.9=11, ~1309=4...(5) QD2 LEU 48 - HB2 LYS 36 far 4 42 10 - 4.5-16.4 QG1 VAL 118 - HB3 LYS 24 far 3 65 5 - 5.5-24.0 QG2 ILE 32 - HB3 LYS 31 far 3 64 5 - 5.4-7.0 QD2 LEU 48 - HB3 LYS 24 far 3 60 5 - 5.6-21.0 QD2 LEU 48 - HB3 LYS 19 far 3 53 5 - 4.4-26.9 QD2 LEU 98 - HB3 LYS 24 far 0 90 0 - 5.9-27.2 QD2 LEU 48 - HB3 LYS 31 far 0 59 0 - 6.3-20.4 QD2 LEU 22 - HB3 LYS 26 far 0 71 0 - 6.9-13.1 QD1 LEU 22 - HB3 LYS 31 far 0 79 0 - 7.1-18.3 QD2 LEU 22 - HB2 LYS 36 far 0 50 0 - 7.1-28.8 QG2 VAL 57 - HB3 LYS 19 far 0 92 0 - 7.1-29.6 QD2 LEU 22 - HB3 LYS 31 far 0 69 0 - 7.4-18.7 QD1 LEU 22 - HB3 LYS 26 far 0 81 0 - 7.6-12.4 QG1 VAL 118 - HB3 LYS 26 far 0 65 0 - 7.9-20.4 QD2 LEU 70 - HB3 LYS 26 far 0 98 0 - 8.0-17.4 QD1 LEU 98 - HB3 LYS 26 far 0 99 0 - 8.1-25.2 QG2 VAL 57 - HB3 LYS 24 far 0 98 0 - 8.1-23.5 QD2 LEU 123 - HB3 LYS 26 far 0 90 0 - 8.2-18.5 QD2 LEU 69 - HB3 LYS 26 far 0 100 0 - 8.2-17.8 QD2 LEU 70 - HB2 LYS 36 far 0 77 0 - 8.5-15.3 QG2 ILE 32 - HB3 LYS 19 far 0 58 0 - 8.5-23.0 QD2 LEU 98 - HB3 LYS 26 far 0 90 0 - 8.5-23.9 QD2 LEU 69 - HB3 LYS 31 far 0 100 0 - 8.6-15.9 QD1 LEU 22 - HB2 LYS 36 far 0 58 0 - 8.6-29.3 QD2 LEU 70 - HB3 LYS 24 far 0 98 0 - 9.1-21.0 QD2 LEU 70 - HB3 LYS 31 far 0 97 0 - 9.2-16.8 QG1 VAL 133 - HB2 LYS 36 far 0 46 0 - 9.3-14.4 QG2 VAL 57 - HB3 LYS 26 far 0 98 0 - 9.4-22.0 QD2 LEU 123 - HB3 LYS 19 far 0 83 0 - 9.6-29.5 Violated in 2 structures by 0.08 A. Peak 10721 from aliabs.peaks (0.85, 2.96, 41.80 ppm; 3.75 A): 6 out of 54 assignments used, quality = 0.99: QG2 ILE 32 + HE3 LYS 36 OK 81 91 90 98 2.1-5.7 10901/4.0=30...(72) QG2 ILE 32 + HE2 LYS 36 OK 72 91 80 98 1.8-5.7 10901/4.0=30...(70) QG2 ILE 32 + HE3 LYS 26 OK 42 92 60 77 2.0-16.2 10766=12, 10766/1.8=9...(25) QG2 ILE 32 + HE2 LYS 26 OK 42 91 60 77 3.2-16.7 10766=12, 10766/1.8=9...(29) QG2 ILE 32 + HE2 LYS 31 OK 25 91 40 68 3.1-8.9 3.0/10804=8, 10766=7...(19) QG2 ILE 32 + HE3 LYS 31 OK 23 82 40 70 3.2-9.4 10766=8, 3.0/9008=6...(24) QD2 LEU 22 - HE3 LYS 24 far 10 68 15 - 3.4-10.8 QD2 LEU 69 - HE3 LYS 36 far 10 95 10 - 4.1-12.8 QG2 VAL 57 - HE3 LYS 19 far 5 98 5 - 5.1-31.7 QD2 LEU 69 - HE2 LYS 36 far 5 95 5 - 5.3-11.8 QD2 LEU 22 - HE2 LYS 26 far 5 94 5 - 5.2-14.6 QD1 LEU 98 - HE2 LYS 24 far 5 93 5 - 4.0-30.7 QD2 LEU 22 - HE3 LYS 19 far 5 91 5 - 5.0-12.4 QD2 LEU 22 - HE2 LYS 24 far 4 85 5 - 4.9-10.1 QG2 ILE 32 - HE2 LYS 24 far 4 82 5 - 4.2-18.0 QD1 LEU 98 - HE3 LYS 24 far 4 76 5 - 3.9-32.0 QG2 ILE 32 - HE3 LYS 24 far 3 65 5 - 5.1-18.1 QD2 LEU 22 - HE2 LYS 19 far 0 91 0 - 5.3-13.0 QD2 LEU 22 - HE3 LYS 26 far 0 95 0 - 5.6-14.5 QD2 LEU 98 - HE3 LYS 24 far 0 41 0 - 5.8-30.0 QD2 LEU 69 - HE3 LYS 26 far 0 96 0 - 6.2-20.2 QG2 VAL 57 - HE2 LYS 19 far 0 98 0 - 6.3-31.7 QD2 LEU 123 - HE2 LYS 26 far 0 62 0 - 6.3-18.6 QD2 LEU 98 - HE2 LYS 24 far 0 54 0 - 6.3-28.7 QD2 LEU 70 - HE3 LYS 36 far 0 100 0 - 6.8-14.9 QD2 LEU 69 - HE2 LYS 31 far 0 95 0 - 6.9-16.6 QD2 LEU 70 - HE2 LYS 36 far 0 100 0 - 7.0-14.5 QD2 LEU 69 - HE2 LYS 26 far 0 95 0 - 7.2-20.0 QG1 VAL 133 - HE3 LYS 36 far 0 91 0 - 7.5-15.2 QD2 LEU 123 - HE3 LYS 26 far 0 63 0 - 7.6-19.2 QG1 VAL 133 - HE3 LYS 86 far 0 56 0 - 7.9-10.9 QD2 LEU 70 - HE2 LYS 31 far 0 100 0 - 8.0-18.3 QG2 VAL 57 - HE2 LYS 26 far 0 100 0 - 8.0-22.9 QG1 VAL 133 - HE2 LYS 36 far 0 91 0 - 8.2-14.3 QG2 VAL 57 - HE3 LYS 24 far 0 77 0 - 8.3-25.3 QD2 LEU 22 - HE3 LYS 31 far 0 85 0 - 8.4-19.0 QD2 LEU 69 - HE3 LYS 31 far 0 87 0 - 8.4-16.7 QD2 LEU 22 - HE2 LYS 36 far 0 94 0 - 8.5-26.1 QD1 LEU 98 - HE2 LYS 26 far 0 99 0 - 8.5-27.6 QD2 LEU 98 - HE2 LYS 26 far 0 62 0 - 8.6-26.2 QD2 LEU 70 - HE3 LYS 31 far 0 94 0 - 8.7-17.7 QD2 LEU 123 - HE3 LYS 36 far 0 62 0 - 8.8-18.7 QD2 LEU 98 - HE3 LYS 26 far 0 63 0 - 8.8-26.4 QD2 LEU 22 - HE3 LYS 36 far 0 94 0 - 8.9-26.7 QG2 VAL 57 - HE2 LYS 24 far 0 94 0 - 8.9-25.0 QD2 LEU 22 - HE2 LYS 31 far 0 94 0 - 8.9-19.2 QD2 LEU 123 - HE2 LYS 36 far 0 62 0 - 9.0-17.4 QG2 VAL 57 - HE3 LYS 26 far 0 100 0 - 9.0-23.4 QD2 LEU 70 - HE3 LYS 26 far 0 100 0 - 9.1-18.0 QD1 LEU 98 - HE3 LYS 26 far 0 100 0 - 9.5-27.7 QD2 LEU 69 - HE3 LYS 24 far 0 70 0 - 9.7-21.5 QG2 ILE 32 - HE2 LYS 19 far 0 88 0 - 9.8-24.4 QG2 ILE 32 - HE3 LYS 19 far 0 88 0 - 9.8-24.4 QD2 LEU 69 - HE2 LYS 24 far 0 87 0 - 10.0-22.1 Violated in 0 structures by 0.00 A. Peak 10722 from aliabs.peaks (1.38, 1.96, 29.25 ppm; 5.54 A): 3 out of 18 assignments used, quality = 1.00: QB ALA 28 + HB2 GLN 27 OK 100 100 100 100 3.2-4.8 6304/4.6=90, ~6298=81...(24) QB ALA 29 + HB2 GLN 27 OK 89 99 95 94 4.1-7.6 ~10788=65, 2.9/10787=31...(14) HG3 LYS 26 + HB2 GLN 27 OK 88 100 90 97 4.8-7.3 5.0/6271=83, ~10765=34...(21) QB ALA 108 - HB2 GLN 27 poor 20 100 20 - 3.8-24.3 HG2 LYS 24 - HB2 GLN 27 far 15 99 15 - 4.2-13.9 QB ALA 110 - HB2 GLN 27 far 10 100 10 - 6.0-27.7 QB ALA 109 - HB2 GLN 27 far 5 100 5 - 6.9-25.9 HG LEU 96 - HB2 GLN 27 far 5 95 5 - 7.0-24.4 HG3 LYS 31 - HB2 GLN 27 lone 2 100 35 5 4.7-11.0 HG2 LYS 19 - HB2 GLN 27 far 0 93 0 - 7.5-24.3 HG3 LYS 95 - HB2 GLN 27 far 0 100 0 - 7.8-30.0 HG2 LYS 36 - HB2 GLN 27 far 0 100 0 - 8.2-19.1 HB3 LEU 100 - HB2 GLN 27 far 0 97 0 - 8.5-21.3 HB2 LEU 42 - HB2 GLN 27 far 0 97 0 - 8.7-21.8 QB ALA 12 - HB2 GLN 27 far 0 71 0 - 8.9-21.0 HB2 LEU 96 - HB2 GLN 27 far 0 100 0 - 9.4-23.1 HG2 LYS 95 - HB2 GLN 27 far 0 100 0 - 9.4-28.8 QB ALA 15 - HB2 GLN 27 far 0 100 0 - 10.0-20.9 Violated in 0 structures by 0.00 A. Peak 10723 from aliabs.peaks (1.37, 2.06, 29.25 ppm; 4.75 A): 3 out of 16 assignments used, quality = 0.96: QB ALA 28 + HB3 GLN 27 OK 89 89 100 100 3.6-5.3 2.9/6298=91...(22) QB ALA 29 + HB3 GLN 27 OK 48 97 55 91 4.1-7.9 2.9/10788=68, ~10787=19...(14) HG3 LYS 26 + HB3 GLN 27 OK 30 93 35 92 5.0-8.0 5.0/6272=61...(18) QB ALA 108 - HB3 GLN 27 far 14 96 15 - 4.0-25.5 QB ALA 110 - HB3 GLN 27 far 9 92 10 - 5.9-28.7 HG3 LYS 31 - HB3 GLN 27 far 9 87 10 - 5.6-12.4 HG2 LYS 24 - HB3 GLN 27 far 5 98 5 - 5.2-14.4 QB ALA 21 - HB3 GLN 27 far 4 81 5 - 3.7-16.8 QB ALA 46 - HB3 GLN 27 far 3 63 5 - 6.0-19.6 HG2 LYS 36 - HB3 GLN 27 far 0 95 0 - 6.6-19.1 HB2 LEU 42 - HB3 GLN 27 far 0 99 0 - 7.1-22.9 HG2 LYS 19 - HB3 GLN 27 far 0 100 0 - 7.3-24.7 HB3 LEU 100 - HB3 GLN 27 far 0 99 0 - 7.3-22.1 QB ALA 109 - HB3 GLN 27 far 0 83 0 - 7.6-27.2 HG3 LYS 95 - HB3 GLN 27 far 0 87 0 - 8.7-29.9 HB2 LEU 96 - HB3 GLN 27 far 0 95 0 - 9.4-23.3 Violated in 0 structures by 0.00 A. Peak 10724 from aliabs.peaks (1.36, 2.34, 33.67 ppm; 4.07 A): 3 out of 41 assignments used, quality = 0.81: HG3 LYS 26 + HG3 GLN 27 OK 53 88 85 71 3.0-5.9 1.8/10765=31...(9) QB ALA 28 + HG3 GLN 27 OK 49 82 60 99 3.9-6.3 6304/4.9=42, ~6298=31...(23) QB ALA 28 + HG2 GLN 27 OK 20 83 25 99 2.6-6.3 6304/4.9=42, ~6298=31...(22) HG3 LYS 26 - HG2 GLN 27 poor 18 89 30 68 2.8-7.3 1.8/10765=25, ~10765=24...(9) HG3 LYS 31 - HG3 GLN 27 poor 16 80 20 - 3.3-12.5 HG2 LYS 24 - HG3 GLN 27 far 10 95 10 - 4.6-13.4 QB ALA 108 - HG2 GLN 27 far 9 92 10 - 2.0-26.5 QB ALA 108 - HG3 GLN 27 far 9 91 10 - 2.3-25.1 QB ALA 46 - HG2 GLN 127 lone 7 65 80 13 3.8-6.8 ~9172=6, 11718/11609=4 HG2 LYS 24 - HG2 GLN 27 far 5 96 5 - 3.7-14.2 QB ALA 110 - HG2 GLN 27 far 4 87 5 - 4.8-29.9 QB ALA 110 - HG3 GLN 27 far 4 86 5 - 4.0-28.7 HG3 LYS 31 - HG2 GLN 27 far 4 81 5 - 4.6-12.0 QB ALA 46 - HG3 GLN 27 far 0 70 0 - 5.9-18.5 QB ALA 21 - HG2 GLN 27 far 0 87 0 - 5.9-16.8 QB ALA 29 - HG2 GLN 27 far 0 93 0 - 6.0-9.0 QB ALA 21 - HG3 GLN 27 far 0 86 0 - 6.0-15.8 HG2 LYS 36 - HG3 GLN 27 far 0 90 0 - 6.1-21.6 HB3 LEU 100 - HG2 GLN 27 far 0 98 0 - 6.1-23.0 HB2 LEU 96 - HG2 GLN 127 far 0 84 0 - 6.2-9.0 QB ALA 109 - HG2 GLN 27 far 0 76 0 - 6.2-27.5 QB ALA 29 - HG3 GLN 27 far 0 93 0 - 6.2-8.0 QB ALA 109 - HG3 GLN 27 far 0 75 0 - 6.3-26.3 HG3 LYS 95 - HG2 GLN 27 far 0 81 0 - 7.2-30.6 QB ALA 46 - HG2 GLN 27 far 0 71 0 - 7.2-19.6 HB3 LEU 100 - HG3 GLN 27 far 0 98 0 - 7.6-21.6 HG2 LYS 36 - HG2 GLN 27 far 0 90 0 - 7.7-21.1 HB2 LEU 42 - HG3 GLN 27 far 0 98 0 - 7.8-23.0 QB ALA 29 - HG2 GLN 127 far 0 88 0 - 8.1-18.2 HB3 LEU 100 - HG2 GLN 127 far 0 93 0 - 8.3-11.4 HG3 LYS 95 - HG3 GLN 27 far 0 80 0 - 8.3-29.3 HG2 LYS 19 - HG2 GLN 27 far 0 99 0 - 8.4-26.2 HG3 LYS 95 - HG2 GLN 127 far 0 74 0 - 8.5-14.5 HG2 LYS 95 - HG2 GLN 27 far 0 73 0 - 8.7-31.0 HG2 LYS 19 - HG3 GLN 27 far 0 99 0 - 8.9-25.1 HB2 LEU 96 - HG2 GLN 27 far 0 90 0 - 9.2-23.9 QB ALA 12 - HG3 GLN 27 far 0 99 0 - 9.3-21.4 HB2 LEU 42 - HG2 GLN 27 far 0 98 0 - 9.4-22.2 HG3 LYS 26 - HG2 GLN 127 far 0 83 0 - 9.6-24.5 HG2 LYS 95 - HG3 GLN 27 far 0 73 0 - 9.9-29.3 HG2 LYS 95 - HG2 GLN 127 far 0 67 0 - 9.9-13.6 Violated in 14 structures by 0.31 A. Peak 10725 from aliabs.peaks (1.16, 2.34, 33.67 ppm; 4.61 A): 0 out of 17 assignments used, quality = 0.00: HG12 ILE 32 - HG3 GLN 27 poor 20 100 20 - 4.2-11.9 QG2 THR 25 - HG2 GLN 27 poor 17 83 20 - 4.0-9.7 QG2 THR 25 - HG3 GLN 27 poor 17 82 25 80 5.3-8.4 10758/4.6=32...(8) HG12 ILE 32 - HG2 GLN 27 far 15 100 15 - 4.6-11.7 QB ALA 41 - HG2 GLN 27 far 4 85 5 - 3.3-17.9 QB ALA 41 - HG3 GLN 27 far 4 84 5 - 1.9-18.6 HB3 LEU 62 - HG3 GLN 27 far 0 93 0 - 6.1-23.0 HB3 LEU 62 - HG2 GLN 27 far 0 93 0 - 6.3-23.9 QG2 THR 115 - HG3 GLN 27 far 0 60 0 - 7.6-25.2 QG2 THR 115 - HG2 GLN 27 far 0 60 0 - 7.8-26.2 QG2 VAL 132 - HG2 GLN 127 far 0 83 0 - 7.8-9.8 QG2 THR 18 - HG2 GLN 27 far 0 99 0 - 8.0-20.9 QG1 VAL 132 - HG2 GLN 127 far 0 55 0 - 8.3-11.2 QG2 THR 18 - HG3 GLN 27 far 0 98 0 - 8.7-19.9 HG3 LYS 39 - HG3 GLN 27 far 0 100 0 - 8.9-26.9 HG3 LYS 39 - HG2 GLN 27 far 0 100 0 - 9.6-27.9 HG2 LYS 39 - HG3 GLN 27 far 0 78 0 - 9.8-27.6 Violated in 15 structures by 0.71 A. Peak 10726 from aliabs.peaks (1.17, 1.96, 29.25 ppm; 5.75 A): 2 out of 6 assignments used, quality = 0.78: QG2 THR 25 + HB2 GLN 27 OK 63 99 65 98 4.6-8.7 10758/6271=76...(5) HG12 ILE 32 + HB2 GLN 27 OK 41 89 50 92 4.8-10.3 10844/3.0=57...(14) QB ALA 41 - HB2 GLN 27 far 5 100 5 - 4.1-17.9 QG2 THR 18 - HB2 GLN 27 far 5 99 5 - 6.4-20.2 HB3 LEU 62 - HB2 GLN 27 far 0 63 0 - 8.9-21.7 HG3 LYS 39 - HB2 GLN 27 far 0 97 0 - 9.4-26.1 Violated in 11 structures by 0.43 A. Peak 10727 from aliabs.peaks (0.92, 2.34, 33.67 ppm; 3.91 A): 2 out of 32 assignments used, quality = 0.99: QD1 LEU 123 + HG2 GLN 127 OK 92 97 95 100 1.7-5.5 11638=100, 11637/1.8=78...(19) QD1 LEU 49 + HG2 GLN 127 OK 86 91 100 94 2.2-4.1 10437/1.8=40, 11579=33...(17) QD1 LEU 48 - HG2 GLN 27 far 14 93 15 - 3.0-19.6 QD1 LEU 62 - HG2 GLN 27 far 10 97 10 - 4.9-19.0 QG2 VAL 63 - HG2 GLN 27 far 9 95 10 - 2.4-18.0 QG2 VAL 63 - HG3 GLN 27 far 9 94 10 - 3.5-17.4 QD1 LEU 48 - HG3 GLN 27 far 9 93 10 - 2.0-18.6 QD2 LEU 48 - HG2 GLN 27 far 6 63 10 - 4.4-20.9 QD1 LEU 62 - HG3 GLN 27 far 5 97 5 - 5.2-18.2 QD2 LEU 48 - HG3 GLN 27 far 3 62 5 - 3.8-20.2 QG1 VAL 105 - HG3 GLN 27 far 3 57 5 - 4.6-23.1 QG1 VAL 105 - HG2 GLN 27 far 0 57 0 - 5.6-24.4 QG1 VAL 20 - HG2 GLN 27 far 0 92 0 - 5.8-16.7 QD1 LEU 48 - HG2 GLN 127 far 0 88 0 - 6.4-10.1 QG1 VAL 20 - HG3 GLN 27 far 0 91 0 - 6.6-16.0 QD1 LEU 62 - HG2 GLN 127 far 0 92 0 - 7.0-9.8 QD2 LEU 48 - HG2 GLN 127 far 0 57 0 - 7.3-9.3 QD1 LEU 49 - HG3 GLN 27 far 0 96 0 - 7.6-20.4 QG1 VAL 57 - HG3 GLN 27 far 0 84 0 - 7.8-23.6 QD1 LEU 49 - HG2 GLN 27 far 0 97 0 - 7.8-21.5 QD1 LEU 119 - HG2 GLN 27 far 0 92 0 - 7.8-23.6 QG1 VAL 57 - HG2 GLN 27 far 0 85 0 - 8.2-24.2 QD1 LEU 119 - HG3 GLN 27 far 0 91 0 - 8.3-22.8 QG2 VAL 112 - HG2 GLN 27 far 0 100 0 - 8.4-29.0 QG2 ILE 37 - HG3 GLN 27 far 0 96 0 - 8.4-17.4 QG2 VAL 112 - HG3 GLN 27 far 0 100 0 - 8.7-27.9 QG2 ILE 37 - HG2 GLN 127 far 0 91 0 - 8.7-15.3 QD1 LEU 119 - HG2 GLN 127 far 0 86 0 - 8.7-11.0 QG2 ILE 37 - HG2 GLN 27 far 0 97 0 - 9.0-16.6 QG1 VAL 20 - HG2 GLN 127 far 0 86 0 - 9.0-29.7 QD1 LEU 123 - HG3 GLN 27 far 0 100 0 - 9.7-22.2 QG1 VAL 57 - HG2 GLN 127 far 0 79 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 10728 from aliabs.peaks (1.37, 4.25, 55.75 ppm; 4.19 A): 3 out of 15 assignments used, quality = 0.98: QB ALA 28 + HA GLN 27 OK 96 97 100 100 3.8-5.0 6304/700=88, 6265/3.0=33...(19) QB ALA 29 + HA GLN 27 OK 30 100 45 68 4.1-7.7 ~10788=28, 10723/3.0=15...(12) HG3 LYS 26 + HA GLN 27 OK 29 99 30 97 2.8-6.8 6265/3.0=37, ~6262=33...(27) QB ALA 108 - HA GLN 27 far 10 99 10 - 4.4-26.4 QB ALA 110 - HA GLN 27 far 10 98 10 - 4.7-30.1 QB ALA 21 - HA GLN 27 far 3 65 5 - 5.5-15.2 HG2 LYS 36 - HA GLN 27 far 0 99 0 - 5.8-19.4 HG2 LYS 24 - HA GLN 27 far 0 100 0 - 6.0-12.9 HG3 LYS 31 - HA GLN 27 far 0 96 0 - 6.7-11.3 QB ALA 109 - HA GLN 27 far 0 93 0 - 6.9-28.3 HB2 LEU 42 - HA GLN 27 far 0 100 0 - 8.3-21.4 HB3 LEU 100 - HA GLN 27 far 0 100 0 - 8.7-22.4 HG LEU 96 - HA GLN 27 far 0 73 0 - 9.2-24.1 QB ALA 15 - HA GLN 27 far 0 99 0 - 9.4-19.7 HG2 LYS 19 - HA GLN 27 far 0 100 0 - 9.7-23.1 Violated in 4 structures by 0.05 A. Peak 10730 from aliabs.peaks (0.79, 1.38, 19.04 ppm; 3.12 A): 2 out of 64 assignments used, quality = 0.87: QD1 ILE 32 + QB ALA 29 OK 81 84 100 96 1.8-3.8 10737/2.1=39...(26) QG1 VAL 63 + QB ALA 108 OK 32 95 45 76 1.8-9.9 10980/11883=30, 10964=19...(15) QG1 VAL 63 - QB ALA 29 poor 19 97 20 - 3.1-10.3 QD1 LEU 103 - QB ALA 109 poor 16 99 30 54 3.1-7.8 2.1/11825=30...(8) QD1 LEU 103 - QB ALA 110 far 15 97 15 - 1.8-9.4 QG1 VAL 63 - QB ALA 109 poor 13 99 30 45 1.7-11.8 2.1/10971=13...(10) QD1 LEU 103 - QB ALA 108 far 9 95 10 - 2.8-7.5 QD1 ILE 32 - QB ALA 28 poor 9 89 25 42 4.0-6.3 10776/2.1=9, 934/3.7=7...(12) QG1 VAL 63 - QB ALA 28 far 5 100 5 - 2.2-13.1 QD2 LEU 119 - QB ALA 109 far 5 99 5 - 2.1-10.9 QD1 LEU 53 - QB ALA 29 far 5 95 5 - 4.6-16.8 QD2 LEU 119 - QB ALA 108 far 5 95 5 - 4.6-11.6 QD1 LEU 70 - QB ALA 29 far 3 61 5 - 2.8-11.9 QD2 LEU 49 - QB ALA 29 lone 0 91 25 1 2.4-11.3 QD1 ILE 37 - QB ALA 16 far 0 81 0 - 4.6-22.7 QD1 ILE 37 - QB ALA 29 far 0 84 0 - 4.8-9.6 QD2 LEU 119 - QB ALA 110 far 0 97 0 - 4.9-11.0 QG1 VAL 63 - QB ALA 110 far 0 97 0 - 5.3-12.9 QD2 LEU 122 - QB ALA 108 far 0 95 0 - 5.4-11.8 QD1 LEU 96 - QB ALA 29 far 0 91 0 - 5.6-11.8 QD1 LEU 122 - QB ALA 110 far 0 76 0 - 5.8-13.3 QD1 LEU 103 - QB ALA 15 far 0 99 0 - 6.0-31.9 QD1 LEU 70 - QB ALA 108 far 0 58 0 - 6.1-13.2 QD2 LEU 119 - QB ALA 29 far 0 97 0 - 6.1-14.8 QD1 LEU 122 - QB ALA 109 far 0 79 0 - 6.1-11.8 QD2 LEU 49 - QB ALA 28 far 0 96 0 - 6.1-13.0 QD1 ILE 32 - QB ALA 108 far 0 81 0 - 6.2-17.0 QD1 ILE 32 - QB ALA 15 far 0 88 0 - 6.3-19.1 QD1 LEU 122 - QB ALA 29 far 0 76 0 - 6.4-11.9 QD2 LEU 122 - QB ALA 110 far 0 98 0 - 6.5-13.7 QD1 LEU 53 - QB ALA 28 far 0 99 0 - 6.5-18.2 QD1 LEU 122 - QB ALA 108 far 0 73 0 - 6.5-11.7 QD1 LEU 103 - QB ALA 28 far 0 100 0 - 6.6-16.7 QD1 LEU 70 - QB ALA 109 far 0 64 0 - 6.8-13.3 QD1 LEU 53 - QB ALA 110 far 0 95 0 - 6.8-17.5 QD2 LEU 122 - QB ALA 29 far 0 98 0 - 6.9-11.8 QD2 LEU 49 - QB ALA 108 far 0 88 0 - 7.0-13.6 QD1 LEU 53 - QB ALA 108 far 0 92 0 - 7.0-16.9 QD1 LEU 70 - QB ALA 28 far 0 65 0 - 7.0-15.9 QD1 LEU 96 - QB ALA 108 far 0 88 0 - 7.2-14.4 QD1 ILE 37 - QB ALA 15 far 0 88 0 - 7.3-23.6 QD2 LEU 122 - QB ALA 109 far 0 99 0 - 7.3-12.3 QD1 ILE 32 - QB ALA 109 far 0 87 0 - 7.4-18.6 QD2 LEU 119 - QB ALA 15 far 0 99 0 - 7.5-29.9 QD1 ILE 32 - QB ALA 110 far 0 84 0 - 7.8-21.1 QD1 ILE 32 - QB ALA 16 far 0 81 0 - 7.9-16.9 QD1 LEU 70 - QB ALA 110 far 0 61 0 - 7.9-17.6 QD2 LEU 119 - QB ALA 28 far 0 100 0 - 8.0-14.8 QD1 LEU 103 - QB ALA 29 far 0 97 0 - 8.1-13.8 QD1 LEU 96 - QB ALA 110 far 0 91 0 - 8.1-17.5 QD1 ILE 37 - QB ALA 28 far 0 89 0 - 8.3-13.2 QD1 LEU 70 - QB ALA 15 far 0 64 0 - 8.3-29.2 QD1 LEU 96 - QB ALA 28 far 0 96 0 - 8.4-15.3 QG1 VAL 63 - QB ALA 16 far 0 95 0 - 8.6-25.3 QD1 LEU 103 - QB ALA 16 far 0 95 0 - 8.6-30.1 QD1 LEU 53 - QB ALA 109 far 0 97 0 - 8.7-14.2 QD1 LEU 122 - QB ALA 28 far 0 81 0 - 8.9-13.0 QD1 LEU 53 - QB ALA 16 far 0 93 0 - 8.9-28.4 QD2 LEU 49 - QB ALA 109 far 0 94 0 - 8.9-14.6 QD1 LEU 96 - QB ALA 109 far 0 94 0 - 9.0-15.3 QD2 LEU 119 - QB ALA 16 far 0 95 0 - 9.1-27.1 QG1 VAL 63 - QB ALA 15 far 0 100 0 - 9.2-27.8 QD2 LEU 122 - QB ALA 28 far 0 100 0 - 9.2-12.8 QD1 LEU 53 - QB ALA 15 far 0 98 0 - 9.4-28.8 Violated in 2 structures by 0.06 A. Peak 10732 from aliabs.peaks (0.92, 1.38, 19.04 ppm; 3.19 A): 3 out of 83 assignments used, quality = 0.89: QG2 VAL 112 + QB ALA 109 OK 72 98 75 97 2.0-8.3 11548=59, 2.1/10135=42...(17) QG2 VAL 112 + QB ALA 110 OK 49 96 60 85 2.7-6.5 11496=40, 10661/4.8=21...(14) QG2 VAL 63 + QB ALA 108 OK 26 93 35 79 2.0-9.1 11484/2.9=22...(16) QG2 VAL 63 - QB ALA 109 poor 19 98 30 65 3.0-10.4 10118/2.9=15, 10971=15...(17) QG1 VAL 20 - QB ALA 16 poor 18 92 20 - 2.4-9.1 QG2 VAL 112 - QB ALA 15 far 15 99 15 - 3.1-37.8 QD1 LEU 48 - QB ALA 28 far 15 99 15 - 3.2-16.6 QG2 VAL 20 - QB ALA 15 far 11 72 15 - 2.0-11.1 QG2 VAL 20 - QB ALA 16 far 10 66 15 - 3.7-11.1 QG1 VAL 20 - QB ALA 15 far 10 97 10 - 2.8-9.3 QD1 LEU 62 - QB ALA 110 far 10 97 10 - 4.3-11.7 QD1 LEU 62 - QB ALA 108 far 9 95 10 - 3.9-9.4 QG2 VAL 112 - QB ALA 16 far 9 94 10 - 2.6-35.5 QG2 ILE 37 - QB ALA 16 far 8 81 10 - 3.2-22.0 QD2 LEU 48 - QB ALA 28 far 8 78 10 - 3.8-16.6 QD2 LEU 48 - QB ALA 29 lone 7 73 50 19 1.7-12.9 ~10733=10, ~10782=6, 3.1/10790=4 QD1 LEU 48 - QB ALA 29 lone 7 95 35 19 1.8-14.9 ~10733=10, ~10782=6, 3.1/10790=4 QG1 VAL 118 - QB ALA 108 far 7 66 10 - 2.6-10.7 QG2 VAL 63 - QB ALA 28 far 5 99 5 - 4.1-13.6 QG1 VAL 20 - QB ALA 28 far 5 98 5 - 4.5-14.9 QD1 LEU 49 - QB ALA 29 far 5 97 5 - 4.0-13.4 QG2 VAL 63 - QB ALA 110 far 5 96 5 - 4.6-11.5 QG1 VAL 20 - QB ALA 29 far 5 94 5 - 4.2-16.0 QD1 LEU 119 - QB ALA 109 far 4 79 5 - 2.3-10.3 QG2 VAL 20 - QB ALA 28 far 4 73 5 - 2.5-13.5 QD1 LEU 119 - QB ALA 108 far 4 73 5 - 3.5-12.1 QG2 VAL 20 - QB ALA 109 far 4 71 5 - 4.7-31.7 QG1 VAL 57 - QB ALA 28 far 4 71 5 - 4.4-19.4 QG1 VAL 57 - QB ALA 15 far 3 70 5 - 4.0-28.6 QG2 VAL 20 - QB ALA 29 far 3 69 5 - 3.4-14.7 QG2 VAL 20 - QB ALA 110 far 3 69 5 - 3.3-33.8 QG1 VAL 118 - QB ALA 110 far 3 69 5 - 4.6-13.0 QG1 VAL 57 - QB ALA 29 far 3 66 5 - 3.3-15.9 QD1 LEU 119 - QB ALA 110 far 0 76 0 - 4.8-12.2 QG1 VAL 118 - QB ALA 109 far 0 71 0 - 4.9-10.3 QG2 VAL 63 - QB ALA 29 far 0 96 0 - 5.0-11.2 QG2 VAL 112 - QB ALA 108 far 0 94 0 - 5.1-11.3 QG1 VAL 20 - QB ALA 110 far 0 94 0 - 5.2-35.9 QG1 VAL 57 - QB ALA 16 far 0 64 0 - 5.2-25.8 QG2 VAL 20 - QB ALA 108 far 0 66 0 - 5.4-30.5 QD1 LEU 62 - QB ALA 109 far 0 99 0 - 5.6-9.6 QD1 LEU 123 - QB ALA 29 far 0 95 0 - 5.9-14.8 QG1 VAL 57 - QB ALA 110 far 0 66 0 - 5.9-16.4 QD1 LEU 119 - QB ALA 15 far 0 80 0 - 6.0-31.6 QG2 ILE 37 - QB ALA 15 far 0 88 0 - 6.1-23.2 QD1 LEU 62 - QB ALA 28 far 0 100 0 - 6.2-13.6 QD1 LEU 62 - QB ALA 29 far 0 97 0 - 6.3-13.1 QG2 ILE 37 - QB ALA 29 far 0 84 0 - 6.4-10.6 QG1 VAL 20 - QB ALA 109 far 0 97 0 - 6.4-33.7 QG1 VAL 20 - QB ALA 108 far 0 92 0 - 6.5-32.5 QG1 VAL 57 - QB ALA 109 far 0 69 0 - 6.7-14.7 QD1 LEU 49 - QB ALA 28 far 0 100 0 - 7.0-15.0 QD1 LEU 48 - QB ALA 15 far 0 98 0 - 7.1-21.9 QD2 LEU 48 - QB ALA 15 far 0 77 0 - 7.2-21.2 QD1 LEU 119 - QB ALA 29 far 0 76 0 - 7.5-16.2 QD1 LEU 123 - QB ALA 15 far 0 98 0 - 7.6-27.3 QG1 VAL 118 - QB ALA 29 far 0 69 0 - 7.7-13.2 QD2 LEU 48 - QB ALA 16 far 0 71 0 - 7.9-20.0 QG1 VAL 57 - QB ALA 108 far 0 63 0 - 8.0-14.8 QD1 LEU 119 - QB ALA 16 far 0 73 0 - 8.0-29.2 QG2 VAL 63 - QB ALA 15 far 0 98 0 - 8.1-29.1 QD2 LEU 48 - QB ALA 108 far 0 70 0 - 8.1-16.7 QD1 LEU 62 - QB ALA 16 far 0 95 0 - 8.1-26.3 QD1 LEU 48 - QB ALA 16 far 0 93 0 - 8.3-20.5 QD1 LEU 123 - QB ALA 16 far 0 93 0 - 8.3-26.3 QD1 LEU 49 - QB ALA 15 far 0 99 0 - 8.5-24.7 QD1 LEU 123 - QB ALA 108 far 0 92 0 - 8.6-14.5 QD1 LEU 48 - QB ALA 108 far 0 92 0 - 8.7-18.1 QG1 VAL 118 - QB ALA 28 far 0 73 0 - 8.7-14.8 QD1 LEU 119 - QB ALA 28 far 0 81 0 - 8.7-15.4 QD1 LEU 123 - QB ALA 110 far 0 95 0 - 8.8-16.1 QD1 LEU 62 - QB ALA 15 far 0 99 0 - 8.9-29.4 QD1 LEU 49 - QB ALA 108 far 0 94 0 - 9.0-14.5 QD1 LEU 49 - QB ALA 16 far 0 95 0 - 9.0-24.1 QG2 VAL 112 - QB ALA 28 far 0 99 0 - 9.1-22.0 QD1 LEU 123 - QB ALA 28 far 0 99 0 - 9.2-15.9 QG2 VAL 63 - QB ALA 16 far 0 93 0 - 9.3-26.4 QG2 VAL 112 - QB ALA 29 far 0 96 0 - 9.4-20.4 QD1 LEU 123 - QB ALA 109 far 0 97 0 - 9.6-13.6 QG2 ILE 37 - QB ALA 28 far 0 89 0 - 9.7-13.8 QD2 LEU 48 - QB ALA 109 far 0 76 0 - 9.8-17.1 QD1 LEU 49 - QB ALA 110 far 0 97 0 - 9.9-16.3 QG1 VAL 118 - QB ALA 15 far 0 72 0 - 9.9-29.9 Violated in 7 structures by 0.23 A. Peak 10733 from aliabs.peaks (1.72, 4.23, 52.30 ppm; 4.38 A): 0 out of 17 assignments used, quality = 0.00: HB2 LYS 31 - HA ALA 29 poor 15 73 20 - 5.2-7.5 HB2 LYS 26 - HA ALA 29 poor 6 68 40 24 3.6-9.3 10770/10778=8...(7) HG LEU 48 - HA ALA 29 lone 4 99 45 10 4.3-19.8 ~10790=5, ~10732=3, ~11540=2 HB2 LYS 26 - HA ALA 28 far 4 40 10 - 5.6-8.0 HB2 LYS 24 - HA ALA 29 far 4 71 5 - 5.3-14.0 HB2 LYS 19 - HA ALA 28 far 2 43 5 - 5.5-21.8 HG LEU 48 - HA ALA 28 lone 0 67 30 1 2.2-20.9 HG LEU 98 - HA ALA 28 far 0 64 0 - 6.4-27.0 HB2 LYS 24 - HA ALA 28 far 0 41 0 - 6.6-12.7 HB3 LEU 70 - HA ALA 29 far 0 100 0 - 6.8-14.2 HB2 LYS 31 - HA ALA 28 far 0 43 0 - 6.9-10.2 HB2 LYS 19 - HA ALA 29 far 0 73 0 - 7.4-22.6 HB2 LEU 70 - HA ALA 29 far 0 93 0 - 8.2-15.2 HB2 LEU 43 - HA ALA 29 far 0 90 0 - 8.8-21.7 HG LEU 98 - HA ALA 29 far 0 97 0 - 9.2-24.7 HB2 LEU 43 - HA ALA 28 far 0 57 0 - 9.6-25.5 HB3 LEU 70 - HA ALA 28 far 0 68 0 - 9.8-18.6 Violated in 10 structures by 0.29 A. Peak 10734 from aliabs.peaks (1.82, 4.23, 52.30 ppm; 3.30 A): 1 out of 16 assignments used, quality = 0.74: HB ILE 32 + HA ALA 29 OK 74 100 75 99 2.4-7.2 10790/2.1=51, 10818=48...(21) HB3 ARG 23 - HA ALA 28 far 10 69 15 - 2.8-13.0 HB3 LYS 26 - HA ALA 29 far 5 100 5 - 4.0-10.4 HB3 LYS 24 - HA ALA 29 far 5 100 5 - 4.0-13.6 HB2 LYS 36 - HA ALA 29 far 0 100 0 - 5.1-16.7 HB3 LYS 31 - HA ALA 29 far 0 100 0 - 5.1-7.9 HB3 LYS 19 - HA ALA 28 far 0 65 0 - 5.2-22.5 HB3 LYS 24 - HA ALA 28 far 0 69 0 - 5.6-14.0 HB3 ARG 23 - HA ALA 29 far 0 100 0 - 6.5-15.8 HB3 LYS 26 - HA ALA 28 far 0 69 0 - 6.7-9.1 HB3 LYS 31 - HA ALA 28 far 0 68 0 - 6.8-9.8 HB ILE 32 - HA ALA 28 far 0 68 0 - 6.8-10.2 HB VAL 93 - HA ALA 28 far 0 62 0 - 6.9-25.2 HB3 LYS 19 - HA ALA 29 far 0 98 0 - 8.3-22.7 HB2 LYS 36 - HA ALA 28 far 0 69 0 - 9.1-19.3 HB VAL 93 - HA ALA 29 far 0 96 0 - 9.5-21.4 Violated in 11 structures by 0.81 A. Peak 10735 from aliabs.peaks (1.94, 4.23, 52.30 ppm; 4.42 A): 3 out of 14 assignments used, quality = 1.00: HB2 GLU 30 + HA ALA 29 OK 100 100 100 100 5.1-5.6 6318/3.6=80...(32) HB2 GLU 30 + HA ALA 28 OK 58 69 85 98 4.4-6.3 10791/2.1=40, ~10792=32...(24) HB2 GLN 27 + HA ALA 28 OK 40 40 100 100 3.7-5.9 ~6298=56, ~718=47...(25) HB2 GLN 27 - HA ALA 29 poor 17 68 25 - 5.0-7.7 HG LEU 53 - HA ALA 28 far 3 69 5 - 5.7-24.7 HB3 LEU 49 - HA ALA 28 far 2 43 5 - 5.1-20.5 HB3 LEU 49 - HA ALA 29 far 0 73 0 - 5.9-17.8 HB2 MET 11 - HA ALA 28 far 0 49 0 - 6.2-30.5 HB3 ARG 90 - HA ALA 28 far 0 62 0 - 7.5-29.2 HG LEU 53 - HA ALA 29 far 0 100 0 - 7.9-22.1 HB2 PRO 58 - HA ALA 28 far 0 64 0 - 8.6-24.5 HB2 ARG 90 - HA ALA 28 far 0 40 0 - 8.9-29.1 HB2 PRO 58 - HA ALA 29 far 0 97 0 - 9.4-23.3 HB2 LYS 95 - HA ALA 28 far 0 69 0 - 9.8-25.2 Violated in 1 structures by 0.02 A. Peak 10736 from aliabs.peaks (2.34, 4.23, 52.30 ppm; 5.10 A): 2 out of 11 assignments used, quality = 0.77: HG3 GLN 27 + HA ALA 28 OK 65 69 95 100 5.1-6.7 ~6298=53, ~718=46...(20) HG2 GLN 27 + HA ALA 28 OK 34 69 50 100 4.2-6.9 ~6298=53, ~718=46...(19) HG3 GLN 27 - HA ALA 29 poor 18 100 20 92 5.9-8.1 ~10788=43...(14) HG2 GLU 44 - HA ALA 29 poor 14 57 25 - 4.4-23.0 HG3 GLN 68 - HA ALA 29 poor 6 65 35 27 4.6-14.7 9009/10737=12...(4) HG2 GLN 27 - HA ALA 29 far 5 100 5 - 6.4-9.0 HG2 GLU 44 - HA ALA 28 far 3 33 10 - 4.3-24.8 HG3 GLN 68 - HA ALA 28 far 0 38 0 - 7.9-17.2 HB VAL 77 - HA ALA 28 far 0 67 0 - 9.2-27.2 HG2 GLU 102 - HA ALA 28 far 0 53 0 - 9.3-26.5 HG2 GLU 102 - HA ALA 29 far 0 87 0 - 9.6-24.5 Violated in 19 structures by 0.57 A. Peak 10737 from aliabs.peaks (0.77, 4.23, 52.30 ppm; 3.71 A): 1 out of 22 assignments used, quality = 0.99: QD1 ILE 32 + HA ALA 29 OK 99 100 100 100 1.6-4.3 9007=60, 3.2/10734=60...(17) QD1 ILE 32 - HA ALA 28 poor 12 68 35 49 4.2-7.1 934/3.6=14, 9007=9...(10) QG1 VAL 63 - HA ALA 29 far 10 98 10 - 4.8-13.1 QD1 ILE 37 - HA ALA 29 far 5 100 5 - 5.1-11.6 QD2 LEU 49 - HA ALA 29 far 4 73 5 - 4.8-12.7 QG1 VAL 63 - HA ALA 28 far 3 65 5 - 2.4-14.7 QG1 VAL 93 - HA ALA 28 far 2 45 5 - 4.8-19.6 QD2 LEU 49 - HA ALA 28 far 0 43 0 - 6.0-15.3 QD1 LEU 53 - HA ALA 28 far 0 50 0 - 6.1-21.9 QG1 VAL 93 - HA ALA 29 far 0 76 0 - 6.3-16.2 QD1 LEU 53 - HA ALA 29 far 0 83 0 - 7.5-19.7 QD2 LEU 96 - HA ALA 28 far 0 43 0 - 8.0-17.2 QD1 LEU 96 - HA ALA 28 far 0 69 0 - 8.1-17.4 QD1 LEU 103 - HA ALA 28 far 0 66 0 - 8.2-19.0 QD2 LEU 119 - HA ALA 28 far 0 57 0 - 8.5-17.4 QD1 LEU 96 - HA ALA 29 far 0 100 0 - 8.6-14.1 QD1 ILE 37 - HA ALA 28 far 0 68 0 - 9.0-15.1 QD2 LEU 96 - HA ALA 29 far 0 73 0 - 9.0-14.9 QD2 LEU 119 - HA ALA 29 far 0 90 0 - 9.3-16.7 QD2 LEU 43 - HA ALA 29 far 0 60 0 - 9.3-18.1 QD2 LEU 43 - HA ALA 28 far 0 34 0 - 9.4-21.3 QD2 LEU 122 - HA ALA 28 far 0 61 0 - 9.5-15.4 Violated in 1 structures by 0.03 A. Peak 10738 from aliabs.peaks (1.16, 4.23, 52.30 ppm; 4.18 A): 1 out of 11 assignments used, quality = 1.00: HG12 ILE 32 + HA ALA 29 OK 100 100 100 100 1.9-4.4 2.9/10734=78...(23) QG2 THR 25 - HA ALA 28 poor 12 53 55 41 4.0-8.9 10772/3.0=24...(6) QB ALA 41 - HA ALA 29 far 9 89 10 - 5.5-14.3 HG12 ILE 32 - HA ALA 28 far 7 68 10 - 5.6-8.1 QG2 THR 18 - HA ALA 28 far 3 67 5 - 4.3-19.5 QG2 THR 25 - HA ALA 29 lone 3 87 25 13 1.9-11.4 10772/10778=10, 10726/10784=2 QB ALA 41 - HA ALA 28 far 0 55 0 - 7.0-17.1 QG2 THR 18 - HA ALA 29 far 0 99 0 - 7.0-20.3 HB3 LEU 62 - HA ALA 28 far 0 57 0 - 8.0-20.0 QG2 VAL 77 - HA ALA 28 far 0 38 0 - 8.8-23.6 HB3 LEU 62 - HA ALA 29 far 0 90 0 - 9.5-19.4 Violated in 1 structures by 0.01 A. Peak 10739 from aliabs.peaks (0.77, 1.38, 19.00 ppm; 3.11 A): 2 out of 72 assignments used, quality = 0.98: QD1 ILE 32 + QB ALA 29 OK 97 100 100 97 1.8-3.8 10737/2.1=43...(26) QG1 VAL 63 + QB ALA 108 OK 28 88 45 72 1.8-9.9 10980/11883=23, 10964=20...(13) QG1 VAL 63 - QB ALA 29 poor 19 96 20 - 3.1-10.3 QD2 LEU 49 - QB ALA 29 poor 16 65 25 - 2.4-11.3 QG1 VAL 63 - QB ALA 109 poor 11 84 30 42 1.7-11.8 2.1/10971=12...(9) QD1 ILE 32 - QB ALA 28 poor 11 98 25 43 4.0-6.3 934/3.7=9, 10776/2.1=9...(12) QD1 LEU 103 - QB ALA 108 far 9 89 10 - 2.8-7.5 QD1 LEU 103 - QB ALA 110 far 9 88 10 - 1.8-9.4 QG1 VAL 63 - QB ALA 28 far 5 91 5 - 2.2-13.1 QD1 LEU 103 - QB ALA 109 lone 4 85 30 17 3.1-7.8 11833/9353=9...(4) QG1 VAL 93 - QB ALA 29 far 4 83 5 - 4.3-13.1 QD2 LEU 119 - QB ALA 108 far 4 76 5 - 4.6-11.6 QD1 LEU 53 - QB ALA 29 far 4 76 5 - 4.6-16.8 QD2 LEU 119 - QB ALA 109 far 4 72 5 - 2.1-10.9 QD1 ILE 37 - QB ALA 16 far 0 80 0 - 4.6-22.7 QD1 ILE 37 - QB ALA 29 far 0 100 0 - 4.8-9.6 QD2 LEU 119 - QB ALA 110 far 0 75 0 - 4.9-11.0 QG1 VAL 63 - QB ALA 110 far 0 87 0 - 5.3-12.9 QD2 LEU 122 - QB ALA 108 far 0 82 0 - 5.4-11.8 QD1 LEU 96 - QB ALA 29 far 0 100 0 - 5.6-11.8 QG1 VAL 93 - QB ALA 28 far 0 78 0 - 5.6-17.2 QD1 ILE 37 - QB ALA 12 far 0 58 0 - 5.7-24.7 QD2 LEU 96 - QB ALA 29 far 0 81 0 - 6.0-12.1 QD1 LEU 103 - QB ALA 15 far 0 95 0 - 6.0-31.9 QD2 LEU 119 - QB ALA 29 far 0 85 0 - 6.1-14.8 QD2 LEU 49 - QB ALA 28 far 0 61 0 - 6.1-13.0 QD1 ILE 32 - QB ALA 108 far 0 95 0 - 6.2-17.0 QD1 ILE 32 - QB ALA 15 far 0 99 0 - 6.3-19.1 QD2 LEU 122 - QB ALA 110 far 0 81 0 - 6.5-13.7 QD1 LEU 53 - QB ALA 28 far 0 71 0 - 6.5-18.2 QD1 LEU 103 - QB ALA 28 far 0 93 0 - 6.6-16.7 QD1 LEU 53 - QB ALA 110 far 0 66 0 - 6.8-17.5 QD2 LEU 122 - QB ALA 29 far 0 90 0 - 6.9-11.8 QD2 LEU 49 - QB ALA 108 far 0 58 0 - 7.0-13.6 QD1 LEU 53 - QB ALA 108 far 0 67 0 - 7.0-16.9 QD1 LEU 96 - QB ALA 108 far 0 94 0 - 7.2-14.4 QD2 LEU 119 - QB ALA 12 far 0 43 0 - 7.2-30.5 QD1 ILE 37 - QB ALA 15 far 0 99 0 - 7.3-23.6 QD2 LEU 122 - QB ALA 109 far 0 78 0 - 7.3-12.3 QD1 ILE 32 - QB ALA 109 far 0 91 0 - 7.4-18.6 QD2 LEU 119 - QB ALA 15 far 0 83 0 - 7.5-29.9 QD2 LEU 43 - QB ALA 29 far 0 68 0 - 7.5-15.5 QD1 ILE 32 - QB ALA 110 far 0 94 0 - 7.8-21.1 QD1 ILE 32 - QB ALA 16 far 0 80 0 - 7.9-16.9 QD2 LEU 119 - QB ALA 28 far 0 80 0 - 8.0-14.8 QD1 LEU 103 - QB ALA 29 far 0 97 0 - 8.1-13.8 QG1 VAL 63 - QB ALA 12 far 0 52 0 - 8.1-28.8 QD1 ILE 32 - QB ALA 12 far 0 58 0 - 8.1-19.7 QD1 LEU 96 - QB ALA 110 far 0 93 0 - 8.1-17.5 QD1 ILE 37 - QB ALA 28 far 0 98 0 - 8.3-13.2 QD1 LEU 96 - QB ALA 28 far 0 97 0 - 8.4-15.3 QD2 LEU 96 - QB ALA 28 far 0 76 0 - 8.4-15.0 QG1 VAL 63 - QB ALA 16 far 0 72 0 - 8.6-25.3 QD1 LEU 103 - QB ALA 16 far 0 73 0 - 8.6-30.1 QD1 LEU 53 - QB ALA 109 far 0 64 0 - 8.7-14.2 QD1 LEU 53 - QB ALA 16 far 0 53 0 - 8.9-28.4 QD2 LEU 49 - QB ALA 109 far 0 54 0 - 8.9-14.6 QD2 LEU 96 - QB ALA 108 far 0 72 0 - 8.9-14.3 QD2 LEU 43 - QB ALA 28 far 0 64 0 - 9.0-18.0 QG1 VAL 93 - QB ALA 108 far 0 74 0 - 9.0-15.8 QD1 LEU 96 - QB ALA 109 far 0 91 0 - 9.0-15.3 QD2 LEU 96 - QB ALA 15 far 0 79 0 - 9.0-29.1 QD2 LEU 119 - QB ALA 16 far 0 61 0 - 9.1-27.1 QG1 VAL 63 - QB ALA 15 far 0 94 0 - 9.2-27.8 QD2 LEU 122 - QB ALA 28 far 0 86 0 - 9.2-12.8 QD2 LEU 96 - QB ALA 110 far 0 71 0 - 9.2-17.8 QD1 LEU 53 - QB ALA 12 far 0 37 0 - 9.4-28.0 QD2 LEU 43 - QB ALA 16 far 0 47 0 - 9.4-25.8 QD1 LEU 53 - QB ALA 15 far 0 74 0 - 9.4-28.8 QD2 LEU 43 - QB ALA 15 far 0 67 0 - 9.5-27.6 QD1 LEU 103 - QB ALA 12 far 0 53 0 - 9.6-32.8 QG1 VAL 93 - QB ALA 15 far 0 81 0 - 9.7-30.5 Violated in 2 structures by 0.06 A. Peak 10740 from aliabs.peaks (1.37, 4.21, 56.25 ppm; 4.01 A): 3 out of 15 assignments used, quality = 1.00: QB ALA 29 + HA GLU 30 OK 98 100 100 98 4.1-4.3 4.9=55, 6316/3.0=40...(23) QB ALA 28 + HA GLU 30 OK 92 97 100 95 4.3-5.5 10792/3.8=38...(23) HG3 LYS 31 + HA GLU 30 OK 26 97 40 68 4.6-7.4 5.0/759=27, 10798/3.0=12...(18) QB ALA 15 - HA GLU 30 far 10 99 10 - 3.7-23.5 QB ALA 21 - HA GLU 30 far 3 63 5 - 5.2-18.7 QB ALA 108 - HA GLU 30 far 0 100 0 - 5.9-22.9 QB ALA 12 - HA GLU 30 far 0 92 0 - 6.2-24.6 HG3 LYS 26 - HA GLU 30 far 0 99 0 - 6.2-13.7 QB ALA 109 - HA GLU 30 far 0 95 0 - 6.6-23.9 HG2 LYS 19 - HA GLU 30 far 0 100 0 - 7.3-26.5 QB ALA 16 - HA GLU 30 far 0 89 0 - 7.5-21.9 HG2 LYS 36 - HA GLU 30 far 0 99 0 - 7.8-13.1 QB ALA 110 - HA GLU 30 far 0 99 0 - 9.0-25.3 HG LEU 96 - HA GLU 30 far 0 76 0 - 9.1-21.0 HG2 LYS 24 - HA GLU 30 far 0 100 0 - 9.2-17.0 Violated in 1 structures by 0.00 A. Peak 10741 from aliabs.peaks (1.38, 1.94, 29.75 ppm; 4.21 A): 3 out of 18 assignments used, quality = 1.00: QB ALA 28 + HB2 GLU 30 OK 99 100 100 99 2.7-4.2 10792/3.0=50, 10791=42...(21) QB ALA 29 + HB2 GLU 30 OK 94 100 95 99 4.3-5.8 3.7/6318=73...(27) HG3 LYS 31 + HB2 GLU 30 OK 38 100 55 69 3.0-7.8 5.0/6326=29...(11) QB ALA 15 - HB2 GLU 30 poor 20 100 20 - 4.4-23.8 HG3 LYS 26 - HB2 GLU 30 far 5 100 5 - 5.2-12.9 QB ALA 108 - HB2 GLU 30 far 5 100 5 - 5.3-23.9 HG2 LYS 19 - HB2 GLU 30 far 5 95 5 - 4.7-25.8 QB ALA 12 - HB2 GLU 30 far 0 73 0 - 5.7-24.4 QB ALA 16 - HB2 GLU 30 far 0 99 0 - 6.5-21.3 HG2 LYS 24 - HB2 GLU 30 far 0 99 0 - 6.9-17.0 QB ALA 28 - HB3 ARG 90 far 0 70 0 - 7.2-25.5 QB ALA 109 - HB2 GLU 30 far 0 100 0 - 7.8-24.7 HG2 LYS 95 - HB3 ARG 90 far 0 69 0 - 8.0-11.6 HG LEU 96 - HB3 ARG 90 far 0 61 0 - 8.2-11.9 QB ALA 29 - HB3 ARG 90 far 0 69 0 - 9.1-20.6 HG3 LYS 95 - HB3 ARG 90 far 0 70 0 - 9.4-12.2 HB2 LEU 96 - HB3 ARG 90 far 0 70 0 - 9.6-11.9 QB ALA 110 - HB2 GLU 30 far 0 100 0 - 9.6-25.7 Violated in 0 structures by 0.00 A. Peak 10742 from aliabs.peaks (1.40, 2.01, 29.75 ppm; 4.33 A): 3 out of 20 assignments used, quality = 0.97: QB ALA 28 + HB3 GLU 30 OK 87 90 100 96 4.2-5.2 10792/3.0=41...(21) QB ALA 29 + HB3 GLU 30 OK 50 78 65 99 5.5-6.0 3.7/6319=59, ~10735=26...(29) HG3 LYS 31 + HB3 GLU 30 OK 49 92 70 76 3.3-7.3 5.0/6327=48...(12) QB ALA 15 - HB3 GLU 30 poor 17 85 20 - 3.3-24.1 QB ALA 16 - HB3 GLU 30 far 5 98 5 - 5.7-22.6 QB ALA 108 - HB3 GLU 30 far 4 81 5 - 5.2-24.4 HG13 ILE 32 - HB3 GLU 30 far 3 63 5 - 5.0-9.1 HG2 LYS 19 - HB3 GLU 30 far 3 57 5 - 5.2-26.1 QB ALA 16 - HB2 GLU 55 far 1 29 5 - 4.5-32.7 HG3 LYS 26 - HB3 GLU 30 far 0 85 0 - 6.3-14.0 QB ALA 15 - HB2 GLU 55 far 0 23 0 - 6.4-35.9 QB ALA 34 - HB3 GLU 30 far 0 93 0 - 6.9-13.1 QB ALA 109 - HB3 GLU 30 far 0 95 0 - 7.1-25.2 HG2 LYS 24 - HB3 GLU 30 far 0 73 0 - 7.6-17.5 QB ALA 29 - HB2 GLU 55 far 0 20 0 - 7.8-21.8 QB ALA 110 - HB3 GLU 30 far 0 87 0 - 8.2-26.4 QB ALA 28 - HB2 GLU 55 far 0 25 0 - 8.6-25.2 HG2 LYS 86 - HB3 GLU 30 far 0 95 0 - 9.1-32.5 HG2 LYS 36 - HB3 GLU 30 far 0 83 0 - 9.9-14.6 QB ALA 110 - HB2 GLU 55 far 0 23 0 - 9.9-20.5 Violated in 7 structures by 0.05 A. Peak 10743 from aliabs.peaks (1.39, 2.27, 35.39 ppm; 4.21 A): 3 out of 25 assignments used, quality = 0.99: QB ALA 28 + HG2 GLU 30 OK 97 100 100 97 1.9-5.2 10792/1.8=62...(20) HG3 LYS 31 + HG2 GLU 30 OK 42 100 75 56 1.9-8.6 5.0/6328=26...(10) QB ALA 29 + HG2 GLU 30 OK 39 99 40 99 4.5-6.4 3.7/6320=61, 4.9/775=29...(23) QB ALA 15 - HG2 GLU 30 far 10 100 10 - 2.0-22.4 HG3 LYS 26 - HG2 GLU 30 far 10 100 10 - 4.0-13.7 QB ALA 12 - HG2 GLU 30 far 3 65 5 - 5.4-23.0 QB ALA 15 - HG2 GLU 40 far 3 64 5 - 5.5-32.0 QB ALA 16 - HG2 GLU 40 far 3 64 5 - 5.5-30.0 HG2 LYS 24 - HG2 GLU 40 far 3 60 5 - 3.5-30.4 QB ALA 16 - HG2 GLU 30 far 0 100 0 - 5.9-20.9 HG2 LYS 19 - HG2 GLU 30 far 0 90 0 - 6.1-23.9 HB2 LEU 42 - HG2 GLU 40 far 0 57 0 - 6.2-7.9 HG2 LYS 24 - HG2 GLU 30 far 0 97 0 - 6.5-16.4 QB ALA 108 - HG2 GLU 30 far 0 99 0 - 7.0-25.2 HG2 LYS 36 - HG2 GLU 40 far 0 63 0 - 7.3-13.6 HG3 LYS 26 - HG2 GLU 40 far 0 64 0 - 7.4-29.6 QB ALA 34 - HG2 GLU 40 far 0 34 0 - 7.6-12.1 QB ALA 29 - HG2 GLU 40 far 0 62 0 - 7.8-17.8 QB ALA 34 - HG2 GLU 30 far 0 63 0 - 8.0-13.8 HG LEU 96 - HG2 GLU 30 far 0 97 0 - 8.2-23.0 QB ALA 109 - HG2 GLU 30 far 0 100 0 - 8.6-26.0 QB ALA 12 - HG2 GLU 40 far 0 35 0 - 8.8-33.0 QB ALA 28 - HG2 GLU 40 far 0 65 0 - 9.2-21.5 QB ALA 110 - HG2 GLU 30 far 0 100 0 - 9.4-28.0 HG2 LYS 36 - HG2 GLU 30 far 0 99 0 - 10.0-14.4 Violated in 1 structures by 0.01 A. Peak 10744 from aliabs.peaks (1.39, 2.31, 35.39 ppm; 4.24 A): 3 out of 23 assignments used, quality = 1.00: QB ALA 28 + HG3 GLU 30 OK 98 100 100 98 1.9-3.8 10792=65, 6316/6321=33...(21) QB ALA 29 + HG3 GLU 30 OK 96 97 100 99 3.6-5.7 3.7/6321=64...(23) HG3 LYS 31 + HG3 GLU 30 OK 34 100 60 57 2.0-8.7 5.0/6329=24...(11) HG3 LYS 26 - HG3 GLU 30 far 15 99 15 - 4.4-12.0 QB ALA 15 - HG3 GLU 30 far 10 99 10 - 3.3-21.9 HG2 LYS 24 - HG3 GLU 30 far 5 95 5 - 5.5-15.1 QB ALA 16 - HG2 GLU 40 far 3 65 5 - 5.5-30.0 QB ALA 15 - HG2 GLU 40 far 3 62 5 - 5.5-32.0 HG2 LYS 24 - HG2 GLU 40 far 3 57 5 - 3.5-30.4 HB2 LEU 42 - HG2 GLU 40 far 0 53 0 - 6.2-7.9 QB ALA 16 - HG3 GLU 30 far 0 100 0 - 6.7-20.8 QB ALA 108 - HG3 GLU 30 far 0 97 0 - 6.9-24.3 HG2 LYS 36 - HG2 GLU 40 far 0 61 0 - 7.3-13.6 HG2 LYS 19 - HG3 GLU 30 far 0 85 0 - 7.3-23.7 HG3 LYS 26 - HG2 GLU 40 far 0 62 0 - 7.4-29.6 QB ALA 34 - HG2 GLU 40 far 0 39 0 - 7.6-12.1 QB ALA 109 - HG3 GLU 30 far 0 100 0 - 7.8-25.1 QB ALA 29 - HG2 GLU 40 far 0 59 0 - 7.8-17.8 QB ALA 34 - HG3 GLU 30 far 0 71 0 - 9.1-13.3 QB ALA 28 - HG2 GLU 40 far 0 64 0 - 9.2-21.5 QB ALA 110 - HG3 GLU 30 far 0 99 0 - 9.4-27.3 HG LEU 96 - HG3 GLU 30 far 0 99 0 - 9.7-21.6 HG2 LYS 36 - HG3 GLU 30 far 0 98 0 - 10.0-15.0 Violated in 0 structures by 0.00 A. Peak 10747 from aliabs.peaks (7.14, 0.77, 12.40 ppm; 6.12 A): 2 out of 4 assignments used, quality = 0.95: QD TYR 72 + QD1 ILE 32 OK 79 100 80 100 3.3-9.7 11028/10827=60...(25) QD TYR 72 + QD1 ILE 37 OK 75 75 100 100 1.8-5.4 9022/1094=100...(48) HD2 HIS 67 - QD1 ILE 32 poor 11 78 45 31 3.3-11.0 11925/10848=11...(7) HD2 HIS 67 - QD1 ILE 37 far 8 52 15 - 6.0-12.7 Violated in 0 structures by 0.00 A. Peak 10748 from aliabs.peaks (6.80, 0.77, 12.40 ppm; 4.96 A): 3 out of 7 assignments used, quality = 0.97: QE TYR 72 + QD1 ILE 37 OK 74 74 100 100 2.2-6.4 9021/1094=82...(26) QE TYR 72 + QD1 ILE 32 OK 69 99 75 93 1.8-10.6 9540/10827=38...(20) HE21 GLN 68 + QD1 ILE 32 OK 64 85 90 83 2.7-10.5 3.5/9009=41, ~11018=37...(11) HE21 GLN 68 - QD1 ILE 37 poor 14 58 25 - 3.8-10.9 HE21 GLN 127 - QD1 ILE 32 far 0 71 0 - 7.3-17.3 HE21 GLN 127 - QD1 ILE 37 far 0 47 0 - 8.4-18.7 HE21 GLN 101 - QD1 ILE 32 far 0 100 0 - 9.0-19.9 Violated in 0 structures by 0.00 A. Peak 10749 from aliabs.peaks (4.55, 0.77, 12.10 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.97: HA TYR 72 + QD1 ILE 37 OK 95 100 95 100 2.4-9.2 11134/1094=50...(26) HA SER 38 + QD1 ILE 37 OK 50 100 50 100 2.3-6.2 3.0/6426=55...(32) HA TYR 72 - QD1 ILE 32 far 4 75 5 - 3.3-12.3 HA SER 38 - QD1 ILE 32 far 0 76 0 - 7.5-13.0 Violated in 1 structures by 0.10 A. Peak 10750 from aliabs.peaks (4.24, 1.15, 27.21 ppm; 4.71 A): 3 out of 8 assignments used, quality = 0.99: HA ALA 29 + HG12 ILE 32 OK 98 98 100 100 1.9-4.4 10734/2.9=86, 10738=84...(24) HA GLU 30 + HG12 ILE 32 OK 44 81 55 98 3.2-7.2 ~10769=48, 3.0/10843=41...(15) HA GLN 27 + HG12 ILE 32 OK 27 97 35 79 1.9-9.5 3.7/10844=42...(10) HA ALA 28 - HG12 ILE 32 poor 20 99 20 - 5.6-8.1 HA HIS 67 - HG12 ILE 32 far 0 60 0 - 7.1-13.4 HA ALA 34 - HG12 ILE 32 far 0 78 0 - 7.7-9.4 HB3 SER 38 - HG12 ILE 32 far 0 81 0 - 8.2-15.7 HA LEU 22 - HG12 ILE 32 far 0 60 0 - 9.6-19.9 Violated in 0 structures by 0.00 A. Peak 10751 from aliabs.peaks (4.23, 0.84, 17.13 ppm; 3.71 A): 2 out of 16 assignments used, quality = 0.98: HA ALA 29 + QG2 ILE 32 OK 95 100 95 100 2.7-6.2 10734/2.1=78...(20) HA ALA 34 + QG2 ILE 32 OK 58 90 75 86 4.5-6.3 3.0/10811=44...(9) HA GLN 27 - QG2 ILE 32 poor 18 89 20 - 3.1-10.2 HA HIS 67 - QG2 ILE 32 far 8 76 10 - 4.9-11.8 HA GLU 30 - QG2 ILE 32 far 0 92 0 - 5.4-7.2 HA ALA 88 - QG2 ILE 129 far 0 32 0 - 5.9-7.9 HB3 SER 38 - QG2 ILE 32 far 0 92 0 - 6.2-10.3 HA ALA 28 - QG2 ILE 32 far 0 93 0 - 6.5-9.1 HA SER 94 - QG2 ILE 129 far 0 53 0 - 7.5-8.9 HA SER 124 - QG2 ILE 129 far 0 48 0 - 8.4-9.5 HA ALA 34 - QG2 ILE 129 far 0 45 0 - 8.6-13.5 HA GLU 30 - QG2 ILE 129 far 0 46 0 - 8.7-18.5 HA HIS 67 - QG2 ILE 129 far 0 35 0 - 9.2-11.0 HA ARG 84 - QG2 ILE 129 far 0 45 0 - 9.3-11.1 HB3 SER 38 - QG2 ILE 129 far 0 46 0 - 9.6-12.0 HA ALA 28 - QG2 ILE 129 far 0 47 0 - 9.9-19.2 Violated in 15 structures by 0.20 A. Peak 10752 from aliabs.peaks (4.24, 1.81, 38.56 ppm; 4.13 A): 3 out of 8 assignments used, quality = 0.94: HA ALA 29 + HB ILE 32 OK 87 92 95 100 2.4-7.2 10783=87, 2.1/10790=72...(23) HA LYS 31 + HB ILE 32 OK 32 63 55 94 5.1-6.1 3.6/895=69, 3.0/902=17...(27) HA GLU 30 + HB ILE 32 OK 31 65 50 94 4.4-7.4 4.9/10790=37...(15) HA LYS 26 - HB ILE 32 far 10 68 15 - 4.8-15.1 HA GLN 27 - HB ILE 32 far 10 100 10 - 4.8-12.1 HA ALA 34 - HB ILE 32 far 3 63 5 - 4.8-8.5 HA ALA 28 - HB ILE 32 far 0 100 0 - 6.8-10.2 HB3 SER 38 - HB ILE 32 far 0 65 0 - 8.3-14.3 Violated in 6 structures by 0.07 A. Peak 10753 from aliabs.peaks (4.24, 4.11, 60.96 ppm; 4.09 A): 1 out of 8 assignments used, quality = 0.88: HA ALA 29 + HA ILE 32 OK 88 98 90 99 4.0-6.9 10734/3.0=71...(14) HA GLN 27 - HA ILE 32 far 14 97 15 - 3.9-12.1 HA GLU 30 - HA ILE 32 far 0 81 0 - 5.8-7.3 HA ALA 34 - HA ILE 32 far 0 78 0 - 6.8-7.7 HA ALA 28 - HA ILE 32 far 0 99 0 - 7.4-10.5 HA HIS 67 - HA ILE 32 far 0 60 0 - 8.2-15.2 HA LEU 22 - HA ILE 32 far 0 60 0 - 8.3-22.7 HB3 SER 38 - HA ILE 32 far 0 81 0 - 8.8-14.1 Violated in 19 structures by 1.01 A. Peak 10754 from aliabs.peaks (2.65, 4.11, 60.96 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.22: HB2 ASP 35 + HA ILE 32 OK 22 100 25 86 4.6-8.9 1.8/10755=63, 10797=54...(4) Violated in 20 structures by 2.66 A. Peak 10755 from aliabs.peaks (2.73, 4.11, 60.96 ppm; 4.49 A): 1 out of 3 assignments used, quality = 0.33: HB3 ASP 35 + HA ILE 32 OK 33 100 35 95 4.7-9.3 1.8/10754=88, 10798=35...(6) HB2 ASP 64 - HA ILE 32 far 0 81 0 - 6.6-18.2 HB3 ASP 78 - HA ILE 32 far 0 99 0 - 8.5-25.7 Violated in 20 structures by 2.52 A. Peak 10756 from aliabs.peaks (4.23, 1.43, 27.21 ppm; 4.59 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 29 + HG13 ILE 32 OK 100 100 100 100 1.9-5.2 10734/2.9=87...(20) HA GLU 30 + HG13 ILE 32 OK 80 96 85 99 2.9-8.0 3.0/10769=65...(17) HA ALA 28 - HG13 ILE 32 poor 19 89 30 72 5.2-8.7 10776/2.1=18, 3.6/926=18...(13) HA GLN 27 - HG13 ILE 32 poor 14 83 25 68 3.2-9.8 ~10768=16, 3.0/10845=15...(10) HA HIS 67 - HG13 ILE 32 far 0 83 0 - 7.0-12.6 HA ALA 34 - HG13 ILE 32 far 0 95 0 - 7.1-10.2 HB3 SER 38 - HG13 ILE 32 far 0 96 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 10757 from aliabs.peaks (4.29, 1.43, 27.21 ppm; 5.72 A): 3 out of 15 assignments used, quality = 0.91: HA LYS 31 + HG13 ILE 32 OK 78 78 100 100 4.2-6.8 3.6/919=96, ~10802=44...(23) HA LYS 26 + HG13 ILE 32 OK 38 73 65 80 3.0-13.3 3.6/6264=19...(22) HA LYS 36 + HG13 ILE 32 OK 34 99 35 99 5.2-12.3 ~10810=52, ~10899=52...(24) HA ARG 23 - HG13 ILE 32 far 14 93 15 - 6.1-16.7 HA GLN 61 - HG13 ILE 32 far 9 95 10 - 4.4-17.8 HA ALA 21 - HG13 ILE 32 far 5 100 5 - 6.6-19.3 HA SER 74 - HG13 ILE 32 far 5 100 5 - 6.5-20.6 HA THR 25 - HG13 ILE 32 lone 2 100 25 9 2.9-14.5 2336/6264=2, 9590/2.1=1 HA ALA 15 - HG13 ILE 32 far 0 95 0 - 7.8-25.2 HA THR 18 - HG13 ILE 32 far 0 97 0 - 7.9-24.9 HA ALA 16 - HG13 ILE 32 far 0 90 0 - 8.5-24.5 HA TYR 76 - HG13 ILE 32 far 0 92 0 - 8.7-21.5 HA LEU 22 - HG13 ILE 32 far 0 65 0 - 8.7-20.1 HA LYS 19 - HG13 ILE 32 far 0 81 0 - 9.6-24.1 HA ALA 108 - HG13 ILE 32 far 0 92 0 - 9.8-27.5 Violated in 5 structures by 0.09 A. Peak 10758 from aliabs.peaks (4.37, 1.43, 27.21 ppm; 5.97 A): 1 out of 4 assignments used, quality = 0.71: HA SER 33 + HG13 ILE 32 OK 71 71 100 100 5.6-6.7 10828/3.2=85...(24) HA LEU 69 - HG13 ILE 32 far 13 85 15 - 6.9-12.1 HA SER 107 - HG13 ILE 32 far 4 78 5 - 6.4-23.1 HA CYS 73 - HG13 ILE 32 far 0 97 0 - 7.8-18.2 Violated in 19 structures by 0.46 A. Peak 10759 from aliabs.peaks (4.31, 0.77, 12.40 ppm; 4.79 A): 4 out of 22 assignments used, quality = 0.85: HA TYR 76 + QD1 ILE 37 OK 49 76 65 100 3.3-13.1 11155/1094=74...(23) HA2 GLY 75 + QD1 ILE 37 OK 44 65 70 97 4.8-12.4 9604=54, 2.9/9026=46...(13) HA LYS 36 + QD1 ILE 37 OK 31 45 70 100 4.3-6.9 3.6/6417=78, ~10916=42...(29) HA LYS 36 + QD1 ILE 32 OK 23 68 35 98 3.3-10.2 ~10810=37, ~10899=37...(31) HA LYS 24 - QD1 ILE 32 far 13 85 15 - 2.5-12.8 HA TYR 76 - QD1 ILE 32 far 5 100 5 - 5.7-16.7 HA2 GLY 75 - QD1 ILE 32 far 5 92 5 - 2.4-15.2 HA SER 74 - QD1 ILE 32 far 4 78 5 - 3.7-15.5 HA THR 25 - QD1 ILE 32 lone 2 83 25 10 3.1-11.2 11150/10704=4, 9590=1 HA THR 18 - QD1 ILE 37 far 2 39 5 - 5.6-28.3 HA ALA 21 - QD1 ILE 32 far 0 92 0 - 7.0-16.5 HA ALA 21 - QD1 ILE 37 far 0 65 0 - 7.3-24.2 HA THR 18 - QD1 ILE 32 far 0 60 0 - 7.4-21.0 HA SER 74 - QD1 ILE 37 far 0 52 0 - 7.5-13.0 HA ASP 47 - QD1 ILE 32 far 0 65 0 - 7.7-15.3 HA LYS 24 - QD1 ILE 37 far 0 58 0 - 7.7-21.6 HA ASN 59 - QD1 ILE 32 far 0 73 0 - 7.8-16.3 HA ALA 12 - QD1 ILE 37 far 0 47 0 - 8.1-30.1 HA THR 25 - QD1 ILE 37 far 0 56 0 - 8.3-19.2 HA ASP 47 - QD1 ILE 37 far 0 43 0 - 8.7-14.4 HA PRO 81 - QD1 ILE 37 far 0 61 0 - 8.8-17.7 HA ASP 131 - QD1 ILE 37 far 0 76 0 - 9.9-15.1 Violated in 8 structures by 0.14 A. Peak 10760 from aliabs.peaks (4.39, 0.84, 17.13 ppm; 3.86 A): 2 out of 8 assignments used, quality = 1.00: HA SER 33 + QG2 ILE 32 OK 100 100 100 100 3.0-4.5 10777=93, 3.0/6362=71...(32) HA CYS 73 + QG2 ILE 129 OK 44 48 100 90 2.7-4.4 9570/3.0=21...(28) HA ASP 71 - QG2 ILE 32 poor 17 68 25 - 3.8-13.0 HA CYS 73 - QG2 ILE 32 far 0 95 0 - 7.1-13.7 HA ASP 71 - QG2 ILE 129 far 0 31 0 - 7.5-8.9 HA SER 107 - QG2 ILE 32 far 0 100 0 - 7.7-20.0 HA ASP 78 - QG2 ILE 129 far 0 54 0 - 8.3-9.8 HA SER 33 - QG2 ILE 129 far 0 55 0 - 8.6-14.8 Violated in 0 structures by 0.00 A. Peak 10761 from aliabs.peaks (4.40, 1.81, 38.56 ppm; 5.85 A): 2 out of 5 assignments used, quality = 0.98: HA SER 33 + HB ILE 32 OK 97 97 100 100 3.8-4.8 10777/2.1=96...(32) HA ASP 71 + HB ILE 32 OK 21 93 25 89 4.2-14.1 3.0/10764=70, ~10848=50...(6) HA CYS 73 - HB ILE 32 far 4 71 5 - 6.9-15.9 HA SER 107 - HB ILE 32 far 0 95 0 - 7.5-22.3 HA ASP 78 - HB ILE 32 far 0 87 0 - 9.7-24.4 Violated in 0 structures by 0.00 A. Peak 10762 from aliabs.peaks (1.35, 4.11, 60.96 ppm; 4.94 A): 2 out of 8 assignments used, quality = 0.80: QB ALA 29 + HA ILE 32 OK 62 65 95 100 4.5-6.6 2.1/10820=93, ~10734=60...(16) HG2 LYS 36 + HA ILE 32 OK 48 60 80 100 3.1-8.0 ~10901=45, ~10810=39...(50) HG2 LYS 24 - HA ILE 32 far 0 71 0 - 6.5-21.2 QB ALA 12 - HA ILE 32 far 0 99 0 - 7.1-22.0 QB ALA 21 - HA ILE 32 far 0 100 0 - 8.6-20.4 HB2 LEU 42 - HA ILE 32 far 0 78 0 - 9.1-14.9 QB ALA 46 - HA ILE 32 far 0 96 0 - 9.4-13.9 HG2 LYS 19 - HA ILE 32 far 0 85 0 - 9.7-27.9 Violated in 12 structures by 0.30 A. Peak 10763 from aliabs.peaks (1.66, 4.11, 60.96 ppm; 4.39 A): 6 out of 11 assignments used, quality = 1.00: HD2 LYS 36 + HA ILE 32 OK 80 100 80 99 2.2-6.8 10775/10857=29...(80) HD3 LYS 36 + HA ILE 32 OK 70 100 70 99 3.1-7.8 10855/6360=29...(81) HD3 LYS 31 + HA ILE 32 OK 58 99 65 90 3.7-8.2 ~809=22, ~6343=21...(31) HD2 LYS 26 + HA ILE 32 OK 49 100 60 82 2.0-17.9 2.9/892=15, 3.5/889=10...(33) HD3 LYS 26 + HA ILE 32 OK 48 100 60 79 2.0-17.0 2.9/892=15, 3.5/889=10...(32) HD2 LYS 31 + HA ILE 32 OK 45 98 50 91 4.2-7.8 ~809=22, ~6343=21...(34) HD3 LYS 24 - HA ILE 32 far 0 97 0 - 6.1-20.5 HD2 LYS 24 - HA ILE 32 far 0 100 0 - 7.5-19.6 HD2 LYS 19 - HA ILE 32 far 0 93 0 - 7.5-28.4 HD3 LYS 19 - HA ILE 32 far 0 90 0 - 7.7-29.9 HB2 LEU 69 - HA ILE 32 far 0 93 0 - 7.9-13.3 Violated in 0 structures by 0.00 A. Peak 10764 from aliabs.peaks (2.81, 1.81, 38.56 ppm; 5.95 A): 1 out of 3 assignments used, quality = 0.39: HB3 ASP 71 + HB ILE 32 OK 39 100 50 77 1.9-11.8 ~10848=65, 9511/2.1=16...(5) HB3 ASP 64 - HB ILE 32 far 15 99 15 - 3.4-16.1 HB2 ASN 13 - HB ILE 32 far 5 99 5 - 6.3-32.1 Violated in 15 structures by 2.06 A. Peak 10765 from aliabs.peaks (0.27, 1.81, 38.56 ppm; 6.50 A): 0 out of 1 assignment used, quality = 0.00: QG2 VAL 93 - HB ILE 32 far 5 93 5 - 8.0-15.2 Violated in 20 structures by 6.00 A. Peak 10766 from aliabs.peaks (2.96, 0.84, 17.13 ppm; 3.69 A): 6 out of 18 assignments used, quality = 1.00: HE3 LYS 36 + QG2 ILE 32 OK 88 100 90 97 2.1-5.7 4.9/10810=28, 10757=27...(66) HE2 LYS 36 + QG2 ILE 32 OK 78 100 80 97 1.8-5.7 4.9/10810=28...(67) HE2 LYS 26 + QG2 ILE 32 OK 45 100 60 76 3.2-16.7 10757=13, 1.8/10757=10...(26) HE3 LYS 26 + QG2 ILE 32 OK 45 100 60 75 2.0-16.2 10757=13, 1.8/10757=10...(22) HE3 LYS 31 + QG2 ILE 32 OK 28 100 40 69 3.2-9.4 10757=9, 1.8/10757=6...(24) HE2 LYS 31 + QG2 ILE 32 OK 27 100 40 67 3.1-8.9 10757=8, 10804/930=8...(19) HB2 CYS 45 - QG2 ILE 32 poor 9 76 40 28 2.6-9.9 ~10847=18, ~928=4...(6) HE2 LYS 24 - QG2 ILE 32 far 5 100 5 - 4.2-18.0 HE3 LYS 24 - QG2 ILE 32 far 5 97 5 - 5.1-18.1 HB2 CYS 45 - QG2 ILE 129 far 0 35 0 - 6.4-10.3 HE2 LYS 39 - QG2 ILE 129 far 0 27 0 - 7.6-10.9 HE3 LYS 39 - QG2 ILE 129 far 0 27 0 - 7.6-11.0 HE3 LYS 86 - QG2 ILE 129 far 0 55 0 - 7.6-10.0 HE3 LYS 36 - QG2 ILE 129 far 0 55 0 - 8.2-15.0 HE2 LYS 36 - QG2 ILE 129 far 0 55 0 - 8.4-14.1 HE2 LYS 19 - QG2 ILE 32 far 0 100 0 - 9.8-24.4 HE3 LYS 19 - QG2 ILE 32 far 0 100 0 - 9.8-24.4 HE2 LYS 39 - QG2 ILE 32 far 0 60 0 - 9.9-16.7 Violated in 0 structures by 0.00 A. Peak 10767 from aliabs.peaks (1.69, 1.15, 27.21 ppm; 4.82 A): 3 out of 8 assignments used, quality = 0.78: HD2 LYS 36 + HG12 ILE 32 OK 47 63 75 100 3.5-8.2 ~10901=32, ~10900=25...(107) HD3 LYS 36 + HG12 ILE 32 OK 42 60 70 100 4.8-9.4 ~10901=32, ~10900=25...(108) HD3 LYS 26 + HG12 ILE 32 OK 28 63 50 91 2.4-14.9 ~10704=12, 5.0/10816=9...(72) HG LEU 48 - HG12 ILE 32 poor 15 73 20 - 4.9-17.9 HD2 LYS 24 - HG12 ILE 32 far 0 60 0 - 7.1-16.7 HB3 LEU 70 - HG12 ILE 32 far 0 71 0 - 8.1-15.0 HB2 LEU 70 - HG12 ILE 32 far 0 90 0 - 8.1-13.9 HB2 LEU 43 - HG12 ILE 32 far 0 93 0 - 8.5-20.9 Violated in 5 structures by 0.28 A. Peak 10768 from aliabs.peaks (2.09, 1.15, 27.21 ppm; 5.88 A): 0 out of 6 assignments used, quality = 0.00: HB3 GLU 44 - HG12 ILE 32 poor 19 81 35 69 3.5-19.2 ~10849=58, 11696/2.1=17...(4) HB3 GLN 27 - HG12 ILE 32 poor 18 57 35 92 4.3-10.5 3.0/10844=72...(12) HB2 GLN 61 - HG12 ILE 32 far 10 100 10 - 4.5-21.3 HB3 GLN 61 - HG12 ILE 32 far 10 99 10 - 5.9-22.0 HG3 PRO 58 - HG12 ILE 32 far 0 57 0 - 8.1-23.3 HB VAL 57 - HG12 ILE 32 far 0 100 0 - 8.8-23.4 Violated in 11 structures by 0.92 A. Peak 10769 from aliabs.peaks (1.93, 1.43, 27.21 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.54: HB2 GLU 30 + HG13 ILE 32 OK 54 100 55 99 4.9-8.5 10829/919=53...(22) HB3 LEU 49 - HG13 ILE 32 far 0 85 0 - 8.0-17.7 HB2 PRO 58 - HG13 ILE 32 far 0 92 0 - 9.5-22.0 HG LEU 53 - HG13 ILE 32 far 0 100 0 - 9.6-21.9 Violated in 20 structures by 1.58 A. Peak 10770 from aliabs.peaks (2.29, 1.43, 27.21 ppm; 5.26 A): 2 out of 6 assignments used, quality = 0.86: HG2 GLU 30 + HG13 ILE 32 OK 67 90 75 99 5.3-8.5 3.0/10769=80, ~10843=38...(13) HG3 GLU 30 + HG13 ILE 32 OK 57 83 70 98 4.3-8.0 3.0/10769=80...(11) HG2 GLU 44 - HG13 ILE 32 poor 13 63 20 - 4.3-19.8 HG2 GLN 61 - HG13 ILE 32 far 0 99 0 - 7.1-18.9 HB3 GLN 101 - HG13 ILE 32 far 0 95 0 - 8.7-20.9 HG2 GLU 40 - HG13 ILE 32 far 0 100 0 - 8.8-20.5 Violated in 10 structures by 0.47 A. Peak 10771 from aliabs.peaks (2.75, 0.77, 12.40 ppm; 4.92 A): 1 out of 12 assignments used, quality = 0.51: HB2 TYR 76 + QD1 ILE 37 OK 51 69 75 100 4.0-11.2 10823/1094=81, ~9019=51...(23) HB2 ASP 64 - QD1 ILE 32 poor 14 100 30 47 1.9-13.9 3.0/9411=18, 9413=16...(6) HB3 ASP 35 - QD1 ILE 32 far 11 73 15 - 5.6-10.3 HB2 CYS 73 - QD1 ILE 37 far 10 67 15 - 5.5-10.6 HB3 ASP 35 - QD1 ILE 37 poor 10 49 20 - 5.9-8.4 HB2 TYR 76 - QD1 ILE 32 far 5 96 5 - 5.7-15.4 HB2 CYS 73 - QD1 ILE 32 far 5 95 5 - 5.0-14.2 HB2 ASP 64 - QD1 ILE 37 far 4 76 5 - 5.1-15.0 HB3 ASP 78 - QD1 ILE 32 far 3 63 5 - 5.8-20.0 HB3 ASP 78 - QD1 ILE 37 far 0 41 0 - 7.2-16.8 HB3 ASN 13 - QD1 ILE 32 far 0 89 0 - 8.6-25.7 HB3 ASN 13 - QD1 ILE 37 far 0 61 0 - 9.3-32.8 Violated in 11 structures by 0.92 A. Peak 10772 from aliabs.peaks (3.19, 0.77, 12.40 ppm; 4.90 A): 0 out of 4 assignments used, quality = 0.00: HD2 ARG 23 - QD1 ILE 32 far 3 57 5 - 3.7-16.9 HD2 ARG 23 - QD1 ILE 37 far 0 37 0 - 7.9-24.1 HB3 HIS 8 - QD1 ILE 37 far 0 54 0 - 9.8-37.1 HD2 ARG 90 - QD1 ILE 32 far 0 68 0 - 9.8-22.1 Violated in 19 structures by 5.24 A. Peak 10773 from aliabs.peaks (3.08, 0.77, 12.40 ppm; 5.00 A): 0 out of 1 assignment used, quality = 0.00: HB2 HIS 7 - QD1 ILE 37 far 0 45 0 - 7.1-40.6 Violated in 20 structures by 18.88 A. Peak 10774 from aliabs.peaks (1.81, 4.39, 58.04 ppm; 3.85 A): 2 out of 20 assignments used, quality = 1.00: HB ILE 32 + HA SER 33 OK 100 100 100 100 3.8-4.8 2.1/10777=67...(28) HB2 LYS 36 + HA SER 33 OK 27 99 30 92 4.3-8.3 6361/3.0=27...(19) HB3 LEU 103 - HA SER 107 poor 14 47 30 - 3.9-9.3 HB3 LYS 26 - HA SER 107 far 6 61 10 - 4.3-27.8 HB2 LEU 100 - HA SER 107 far 6 56 10 - 5.0-11.0 HB3 LYS 24 - HA SER 33 far 5 100 5 - 5.3-21.9 HB3 LYS 19 - HA SER 9 far 3 66 5 - 3.9-23.8 HB3 ARG 23 - HA SER 107 far 3 59 5 - 2.9-35.3 HB3 LEU 98 - HA SER 107 far 0 32 0 - 5.6-16.7 HB3 LYS 24 - HA SER 9 far 0 66 0 - 5.7-30.4 HB3 LYS 31 - HA SER 33 far 0 100 0 - 6.2-9.2 HB3 LYS 26 - HA SER 33 far 0 100 0 - 6.3-18.4 HB3 LEU 122 - HA SER 107 far 0 43 0 - 6.5-13.6 HB2 CYS 79 - HA SER 33 far 0 85 0 - 7.3-20.5 HB ILE 32 - HA SER 107 far 0 62 0 - 7.5-22.3 HB3 LYS 31 - HA SER 107 far 0 62 0 - 7.5-28.5 HB3 LYS 24 - HA SER 107 far 0 61 0 - 8.0-33.4 HB2 CYS 79 - HA SER 9 far 0 50 0 - 8.5-48.9 HB3 ARG 23 - HA SER 33 far 0 99 0 - 9.0-24.0 HB3 ARG 23 - HA SER 9 far 0 64 0 - 9.9-26.7 Violated in 18 structures by 0.27 A. Peak 10775 from aliabs.peaks (1.66, 4.39, 58.04 ppm; 4.09 A): 2 out of 25 assignments used, quality = 0.84: HD2 LYS 36 + HA SER 33 OK 66 100 70 94 2.1-7.8 10855/3.0=22...(28) HD3 LYS 36 + HA SER 33 OK 52 100 55 94 2.4-8.1 10855/3.0=23...(28) HD2 LYS 26 - HA SER 33 far 10 99 10 - 4.1-20.5 HD3 LYS 31 - HA SER 33 far 10 99 10 - 5.1-10.1 HD3 LYS 26 - HA SER 33 far 5 100 5 - 4.5-20.1 HD2 LYS 24 - HA SER 9 far 3 66 5 - 3.9-31.0 HD3 LYS 24 - HA SER 9 far 3 60 5 - 5.4-31.8 HD2 LYS 19 - HA SER 9 far 3 56 5 - 5.2-23.0 HD3 LYS 19 - HA SER 9 far 3 53 5 - 3.7-22.7 HB2 LEU 98 - HA SER 107 far 2 46 5 - 5.3-16.3 HD2 LYS 26 - HA SER 107 far 0 60 0 - 5.9-28.4 HD2 LYS 31 - HA SER 33 far 0 97 0 - 6.0-10.2 HD3 LYS 26 - HA SER 107 far 0 61 0 - 6.8-27.4 HD2 LYS 31 - HA SER 107 far 0 57 0 - 7.0-27.9 HD3 LYS 31 - HA SER 107 far 0 59 0 - 7.5-27.7 HG LEU 62 - HA SER 107 far 0 44 0 - 7.7-13.7 HD3 LYS 24 - HA SER 33 far 0 96 0 - 8.5-22.3 HD2 LYS 19 - HA SER 33 far 0 92 0 - 8.5-31.1 HB2 LEU 69 - HA SER 33 far 0 92 0 - 8.5-13.2 HB2 LEU 69 - HA SER 107 far 0 52 0 - 8.7-15.8 HD3 LYS 86 - HA SER 9 far 0 60 0 - 8.9-55.8 HD3 LYS 19 - HA SER 33 far 0 89 0 - 9.0-32.3 HD3 LYS 24 - HA SER 107 far 0 55 0 - 9.1-36.5 HD2 LYS 24 - HA SER 33 far 0 100 0 - 9.2-21.1 HD2 LYS 36 - HA SER 107 far 0 61 0 - 9.3-24.5 Violated in 12 structures by 0.74 A. Peak 10776 from aliabs.peaks (1.39, 4.39, 58.04 ppm; 3.98 A): 3 out of 30 assignments used, quality = 0.96: QB ALA 34 + HA SER 33 OK 81 81 100 100 4.0-4.8 2.9/939=84, 5.0=51...(16) HG2 LYS 36 + HA SER 33 OK 54 95 60 95 3.9-7.7 3.0/10775=32...(27) QB ALA 108 + HA SER 107 OK 52 53 100 98 3.6-4.7 2.9/7555=74...(13) QB ALA 28 - HA SER 107 poor 14 58 25 - 2.0-21.4 QB ALA 29 - HA SER 33 far 14 92 15 - 4.0-9.1 QB ALA 29 - HA SER 107 poor 10 52 20 - 2.3-18.1 QB ALA 109 - HA SER 107 far 9 60 15 - 4.9-7.9 QB ALA 110 - HA SER 107 far 6 56 10 - 4.8-10.9 HG3 LYS 26 - HA SER 33 far 5 96 5 - 4.3-20.0 HB3 LEU 100 - HA SER 107 far 2 44 5 - 5.5-11.3 HG2 LYS 19 - HA SER 9 far 2 43 5 - 5.3-21.9 HG3 LYS 26 - HA SER 107 far 0 55 0 - 5.8-27.6 QB ALA 15 - HA SER 33 far 0 96 0 - 6.0-25.4 HG3 LYS 31 - HA SER 33 far 0 99 0 - 6.2-9.8 HG2 LYS 24 - HA SER 9 far 0 53 0 - 6.4-30.9 HG3 LYS 31 - HA SER 107 far 0 59 0 - 6.7-26.8 HG LEU 96 - HA SER 107 far 0 61 0 - 6.8-15.4 HG2 LYS 24 - HA SER 33 far 0 89 0 - 7.4-23.2 HG3 LYS 26 - HA SER 9 far 0 60 0 - 8.0-34.7 QB ALA 15 - HA SER 107 far 0 55 0 - 8.1-39.3 QB ALA 28 - HA SER 9 far 0 63 0 - 8.4-29.0 QB ALA 16 - HA SER 9 far 0 67 0 - 8.4-18.3 HG2 LYS 24 - HA SER 107 far 0 49 0 - 8.5-35.6 QB ALA 28 - HA SER 33 far 0 98 0 - 8.6-11.6 HB2 LEU 42 - HA SER 33 far 0 83 0 - 9.4-14.0 QB ALA 16 - HA SER 33 far 0 100 0 - 9.4-24.8 QB ALA 15 - HA SER 9 far 0 60 0 - 9.5-17.0 QB ALA 16 - HA SER 107 far 0 62 0 - 9.5-36.0 HG3 LYS 95 - HA SER 107 far 0 59 0 - 9.7-19.9 HB2 LEU 96 - HA SER 107 far 0 54 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. Peak 10777 from aliabs.peaks (0.84, 4.39, 58.04 ppm; 3.96 A): 1 out of 15 assignments used, quality = 1.00: QG2 ILE 32 + HA SER 33 OK 100 100 100 100 3.0-4.5 6362/3.0=73, 10760=70...(33) QD1 LEU 70 - HA SER 107 far 5 35 15 - 3.6-11.5 QD2 LEU 70 - HA SER 107 far 5 46 10 - 3.5-12.0 QD1 LEU 98 - HA SER 107 far 2 43 5 - 4.2-15.3 QD2 LEU 70 - HA SER 33 far 0 85 0 - 6.1-13.6 QD2 LEU 22 - HA SER 9 far 0 66 0 - 6.2-24.4 QD2 LEU 69 - HA SER 33 far 0 63 0 - 6.7-13.0 QD2 LEU 22 - HA SER 107 far 0 61 0 - 6.8-33.5 QD1 LEU 70 - HA SER 33 far 0 68 0 - 7.5-14.1 QG2 ILE 32 - HA SER 107 far 0 62 0 - 7.7-20.0 QG2 ILE 129 - HA SER 33 far 0 93 0 - 8.6-14.8 QD2 LEU 69 - HA SER 107 far 0 32 0 - 9.3-14.6 QD2 LEU 22 - HA SER 33 far 0 100 0 - 9.4-23.4 QG2 VAL 57 - HA SER 107 far 0 46 0 - 9.5-15.2 QG2 ILE 80 - HA SER 33 far 0 76 0 - 9.6-21.6 Violated in 6 structures by 0.11 A. Peak 10778 from aliabs.peaks (1.89, 4.39, 58.04 ppm; 4.23 A): 0 out of 9 assignments used, quality = 0.00: HB3 LYS 36 - HA SER 33 poor 19 97 20 - 3.5-8.2 HB2 MET 11 - HA SER 9 far 0 43 0 - 6.1-8.7 HB2 PRO 113 - HA SER 107 far 0 52 0 - 7.4-18.9 HB3 LEU 48 - HA SER 9 far 0 67 0 - 7.7-45.4 HB2 MET 11 - HA SER 107 far 0 40 0 - 7.7-54.9 HB3 LEU 119 - HA SER 107 far 0 41 0 - 7.9-17.0 HB2 GLU 40 - HA SER 9 far 0 66 0 - 9.6-50.1 HB2 MET 11 - HA SER 33 far 0 76 0 - 9.9-33.2 HB3 LYS 36 - HA SER 9 far 0 61 0 - 9.9-37.1 Violated in 18 structures by 1.85 A. Peak 10779 from aliabs.peaks (1.81, 3.84, 63.38 ppm; 4.38 A): 2 out of 7 assignments used, quality = 0.85: HB ILE 32 + HB3 SER 33 OK 75 100 75 100 4.7-6.2 3.0/10859=69...(23) HB2 LYS 36 + HB3 SER 33 OK 38 99 40 96 2.6-7.7 6361/945=30...(19) HB3 LYS 31 - HB3 SER 33 far 10 100 10 - 4.9-9.5 HB3 LYS 26 - HB3 SER 33 far 10 100 10 - 5.0-19.6 HB3 LYS 24 - HB3 SER 33 far 5 100 5 - 2.9-24.0 HB3 ARG 23 - HB3 SER 33 far 0 99 0 - 7.2-25.3 HB2 CYS 79 - HB3 SER 33 far 0 85 0 - 9.3-21.9 Violated in 16 structures by 0.53 A. Peak 10780 from aliabs.peaks (1.81, 3.91, 63.38 ppm; 5.92 A): 3 out of 20 assignments used, quality = 1.00: HB ILE 32 + HB2 SER 33 OK 100 100 100 100 4.9-6.5 3.0/10858=97...(26) HB2 LYS 36 + HB2 SER 33 OK 88 99 90 98 2.4-8.1 10856/1.8=39...(18) HB VAL 93 + HB2 SER 94 OK 59 59 100 100 4.1-5.7 2.1/11420=99...(14) HB3 LEU 103 - HB2 SER 107 poor 17 56 30 - 4.3-11.3 HB3 ARG 23 - HB2 SER 33 far 15 99 15 - 6.7-24.5 HB3 LEU 98 - HB2 SER 94 poor 12 39 30 - 6.0-8.8 HB3 LYS 26 - HB2 SER 33 poor 11 100 40 27 5.1-18.6 889/10858=13...(6) HB3 LYS 26 - HB2 SER 107 far 7 71 10 - 2.3-27.8 HB3 ARG 23 - HB2 SER 107 far 7 69 10 - 2.9-35.7 HB3 LYS 24 - HB2 SER 33 far 5 100 5 - 4.4-23.2 HB3 LYS 31 - HB2 SER 33 lone 4 100 40 10 6.3-9.0 3.5/10866=2, ~10783=2, ~10860=2 HB3 LYS 31 - HB2 SER 107 far 4 72 5 - 5.7-28.3 HB2 LEU 100 - HB2 SER 107 far 0 66 0 - 7.6-13.6 HB3 LEU 122 - HB2 SER 107 far 0 51 0 - 7.8-16.1 HB3 LEU 98 - HB2 SER 107 far 0 38 0 - 8.0-18.2 HB ILE 32 - HB2 SER 107 far 0 72 0 - 8.4-23.2 HB3 LYS 24 - HB2 SER 107 far 0 72 0 - 8.7-33.8 HB3 LYS 24 - HB2 SER 94 far 0 73 0 - 8.9-34.2 HB2 CYS 79 - HB2 SER 33 far 0 85 0 - 9.2-20.7 HB3 LEU 122 - HB2 SER 94 far 0 52 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 10781 from aliabs.peaks (1.66, 3.91, 63.38 ppm; 4.71 A): 4 out of 23 assignments used, quality = 0.93: HD2 LYS 36 + HB2 SER 33 OK 63 100 65 97 2.9-8.9 10775/3.0=42...(20) HD3 LYS 36 + HB2 SER 33 OK 53 100 55 97 3.6-8.5 10775/3.0=33...(21) HD3 LYS 95 + HB2 SER 94 OK 40 72 80 69 3.4-6.9 7304/4.4=29...(7) HD2 LYS 95 + HB2 SER 94 OK 34 68 85 58 3.8-8.1 7304/4.4=29, 9225/3.6=21...(7) HD3 LYS 31 - HB2 SER 33 poor 20 99 20 - 5.7-10.7 HD3 LYS 26 - HB2 SER 33 poor 13 100 40 32 3.1-20.2 10763/10858=8...(9) HD2 LYS 26 - HB2 SER 33 poor 12 100 35 34 2.0-21.0 10763/10858=8...(9) HD2 LYS 31 - HB2 SER 33 far 10 98 10 - 4.7-10.1 HD3 LYS 26 - HB2 SER 107 far 4 72 5 - 5.6-27.6 HD2 LYS 26 - HB2 SER 107 far 4 71 5 - 4.1-28.6 HB2 LEU 98 - HB2 SER 94 far 0 57 0 - 7.1-9.1 HD3 LYS 24 - HB2 SER 33 far 0 97 0 - 7.2-23.5 HD2 LYS 31 - HB2 SER 107 far 0 68 0 - 7.5-27.0 HD2 LYS 24 - HB2 SER 94 far 0 73 0 - 7.7-35.9 HD2 LYS 24 - HB2 SER 33 far 0 100 0 - 7.7-22.6 HD3 LYS 31 - HB2 SER 107 far 0 70 0 - 7.9-27.0 HB2 LEU 98 - HB2 SER 107 far 0 56 0 - 8.1-17.9 HG LEU 62 - HB2 SER 107 far 0 54 0 - 8.7-16.6 QB ALA 88 - HB2 SER 94 far 0 74 0 - 8.7-9.8 HD3 LYS 24 - HB2 SER 94 far 0 67 0 - 8.9-37.5 HD2 LYS 36 - HB2 SER 107 far 0 72 0 - 9.2-25.0 HD2 LYS 19 - HB2 SER 33 far 0 93 0 - 9.6-31.7 HB2 LEU 69 - HB2 SER 107 far 0 62 0 - 9.6-17.4 Violated in 3 structures by 0.09 A. Peak 10782 from aliabs.peaks (1.41, 3.91, 63.38 ppm; 5.04 A): 4 out of 30 assignments used, quality = 1.00: QB ALA 34 + HB2 SER 33 OK 99 99 100 100 3.5-6.0 2.1/10865=95...(12) HG2 LYS 36 + HB2 SER 33 OK 54 65 85 96 3.5-7.7 ~10775=25, 3.0/10866=25...(19) QB ALA 108 + HB2 SER 107 OK 38 38 100 99 3.3-5.5 2.9/7556=77...(10) HG LEU 96 + HB2 SER 94 OK 21 68 40 77 5.8-9.0 9974/11420=29, ~11434=17...(10) QB ALA 109 - HB2 SER 107 poor 18 53 35 - 3.8-8.4 QB ALA 92 - HB2 SER 94 poor 18 50 45 79 6.1-7.2 9220/3.6=42...(8) HG3 LYS 26 - HB2 SER 33 poor 17 68 25 - 3.1-20.6 QB ALA 28 - HB2 SER 107 poor 17 47 35 - 1.9-21.0 HG3 LYS 95 - HB2 SER 94 poor 14 50 60 47 5.7-7.3 2988/4.4=22...(5) HG3 LYS 31 - HB2 SER 33 far 12 78 15 - 4.7-10.1 HG2 LYS 95 - HB2 SER 94 poor 11 56 20 - 4.6-7.6 QB ALA 29 - HB2 SER 33 far 9 60 15 - 4.8-10.0 QB ALA 29 - HB2 SER 107 poor 7 36 20 - 3.2-18.4 HG2 LYS 26 - HB2 SER 33 poor 7 76 30 31 3.4-20.9 892/10858=9, 2.9/10866=5...(10) QB ALA 15 - HB2 SER 33 far 7 68 10 - 4.3-25.7 QB ALA 110 - HB2 SER 107 far 7 44 15 - 2.2-11.1 HG2 LYS 26 - HB2 SER 107 far 5 47 10 - 4.5-27.0 HG3 LYS 26 - HB2 SER 107 far 4 42 10 - 5.3-28.0 HG3 LYS 31 - HB2 SER 107 far 2 49 5 - 5.0-26.5 QB ALA 28 - HB2 SER 94 far 2 48 5 - 5.1-24.6 QB ALA 15 - HB2 SER 107 far 2 42 5 - 6.2-40.0 HG13 ILE 32 - HB2 SER 33 far 0 81 0 - 6.6-7.7 HG13 ILE 32 - HB2 SER 107 far 0 51 0 - 6.9-23.3 HB2 LEU 96 - HB2 SER 94 far 0 41 0 - 6.9-9.1 QB ALA 29 - HB2 SER 94 far 0 37 0 - 7.4-19.7 QB ALA 16 - HB2 SER 33 far 0 90 0 - 7.8-24.9 HG LEU 96 - HB2 SER 107 far 0 67 0 - 8.5-17.3 QB ALA 16 - HB2 SER 107 far 0 59 0 - 8.7-36.5 QB ALA 28 - HB2 SER 33 far 0 76 0 - 8.7-11.7 QB ALA 108 - HB2 SER 94 far 0 39 0 - 9.8-21.5 Violated in 0 structures by 0.00 A. Peak 10783 from aliabs.peaks (1.67, 3.84, 63.38 ppm; 4.82 A): 2 out of 10 assignments used, quality = 0.93: HD2 LYS 36 + HB3 SER 33 OK 74 100 75 99 3.6-9.5 10775/946=44...(22) HD3 LYS 36 + HB3 SER 33 OK 74 99 75 99 4.4-9.0 10775/946=35, ~10775=30...(22) HD3 LYS 26 - HB3 SER 33 poor 14 100 40 36 3.3-21.3 10763/10859=8...(11) HD2 LYS 26 - HB3 SER 33 poor 13 99 35 38 2.5-22.1 10763/10859=8...(11) HD3 LYS 31 - HB3 SER 33 poor 6 98 25 23 4.8-9.4 10763/10859=10...(6) HD2 LYS 31 - HB3 SER 33 lone 5 96 25 20 4.2-10.7 10763/10859=8...(5) HD3 LYS 24 - HB3 SER 33 far 5 93 5 - 6.1-24.1 HD2 LYS 24 - HB3 SER 33 far 0 99 0 - 6.5-23.2 HD2 LYS 19 - HB3 SER 33 far 0 89 0 - 8.1-32.7 HD3 LYS 19 - HB3 SER 33 far 0 85 0 - 9.0-34.2 Violated in 9 structures by 0.58 A. Peak 10784 from aliabs.peaks (1.39, 3.84, 63.38 ppm; 4.25 A): 2 out of 9 assignments used, quality = 0.87: QB ALA 34 + HB3 SER 33 OK 81 81 100 100 3.8-5.6 2.1/10864=79, 2.9/949=76...(13) HG2 LYS 36 + HB3 SER 33 OK 31 95 35 95 2.3-7.8 3.0/10856=22...(22) HG3 LYS 31 - HB3 SER 33 far 15 99 15 - 4.1-10.2 HG3 LYS 26 - HB3 SER 33 far 10 96 10 - 3.5-21.6 QB ALA 15 - HB3 SER 33 far 5 96 5 - 5.1-25.7 QB ALA 29 - HB3 SER 33 far 5 92 5 - 4.4-9.7 HG2 LYS 24 - HB3 SER 33 far 4 89 5 - 4.5-25.1 QB ALA 16 - HB3 SER 33 far 0 100 0 - 7.4-25.2 QB ALA 28 - HB3 SER 33 far 0 98 0 - 8.9-12.3 Violated in 14 structures by 0.44 A. Peak 10785 from aliabs.peaks (0.84, 3.84, 63.38 ppm; 5.15 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 32 + HB3 SER 33 OK 100 100 100 100 3.5-5.5 6362/945=93...(27) QD2 LEU 22 - HB3 SER 33 far 0 100 0 - 6.9-24.8 QD2 LEU 70 - HB3 SER 33 far 0 95 0 - 7.2-15.4 QD2 LEU 69 - HB3 SER 33 far 0 78 0 - 8.9-13.6 Violated in 1 structures by 0.02 A. Peak 10786 from aliabs.peaks (0.76, 3.84, 63.38 ppm; 4.92 A): 1 out of 6 assignments used, quality = 0.35: QD1 ILE 37 + HB3 SER 33 OK 35 95 40 92 5.7-8.5 10873/10864=70...(10) QD1 ILE 32 - HB3 SER 33 poor 19 95 20 - 6.0-7.4 QG1 VAL 93 - HB3 SER 33 far 0 100 0 - 8.7-17.5 QD1 LEU 96 - HB3 SER 33 far 0 87 0 - 9.4-16.5 QD2 LEU 96 - HB3 SER 33 far 0 99 0 - 9.6-17.9 QG1 VAL 63 - HB3 SER 33 far 0 65 0 - 9.7-16.3 Violated in 20 structures by 1.87 A. Peak 10787 from aliabs.peaks (0.90, 3.84, 63.38 ppm; 6.80 A): 0 out of 4 assignments used, quality = 0.00: QG1 VAL 20 - HB3 SER 33 poor 20 100 20 - 3.8-22.9 QG2 VAL 20 - HB3 SER 33 far 15 97 15 - 4.5-22.5 QD1 LEU 22 - HB3 SER 33 far 5 90 5 - 7.5-25.0 QD2 LEU 48 - HB3 SER 33 far 0 99 0 - 9.2-17.7 Violated in 17 structures by 2.84 A. Peak 10788 from aliabs.peaks (0.75, 4.39, 58.04 ppm; 4.69 A): 2 out of 14 assignments used, quality = 0.95: QD1 ILE 32 + HA SER 33 OK 86 90 95 100 4.7-6.2 3.0/10777=77...(26) QD1 ILE 37 + HA SER 33 OK 64 90 85 83 3.9-8.0 10786/946=61...(7) QD2 LEU 103 - HA SER 107 poor 18 46 40 - 4.9-8.4 QD1 LEU 103 - HA SER 107 poor 15 30 50 - 4.1-9.3 QD1 ILE 32 - HA SER 107 poor 10 50 20 - 5.5-17.6 QD1 LEU 96 - HA SER 107 far 2 43 5 - 6.2-14.3 QD2 LEU 96 - HA SER 107 far 0 61 0 - 6.7-13.5 QG1 VAL 93 - HA SER 33 far 0 100 0 - 7.3-15.5 QD1 LEU 96 - HA SER 33 far 0 81 0 - 7.4-14.6 QG1 VAL 93 - HA SER 9 far 0 67 0 - 8.0-39.7 QG1 VAL 93 - HA SER 107 far 0 62 0 - 8.1-15.8 QD1 ILE 37 - HA SER 9 far 0 55 0 - 8.3-35.9 QD2 LEU 96 - HA SER 33 far 0 100 0 - 8.4-16.0 QD1 ILE 37 - HA SER 107 far 0 50 0 - 9.7-19.5 Violated in 14 structures by 0.25 A. Peak 10789 from aliabs.peaks (1.97, 4.21, 53.17 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.85: HB ILE 37 + HA ALA 34 OK 85 100 85 100 2.7-5.5 2.1/9004=67...(15) HB VAL 20 - HA ALA 34 far 0 63 0 - 9.5-29.4 Violated in 19 structures by 0.86 A. Peak 10790 from aliabs.peaks (1.55, 4.21, 53.17 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: HG13 ILE 37 + HA ALA 34 OK 100 100 100 100 1.9-3.9 9006=92, 2.1/10873=89...(17) HB3 LEU 42 - HA ALA 34 poor 20 98 20 - 4.5-12.6 HG2 ARG 23 - HA ALA 34 far 0 97 0 - 9.6-28.4 Violated in 0 structures by 0.00 A. Peak 10791 from aliabs.peaks (0.93, 4.21, 53.17 ppm; 4.22 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 37 + HA ALA 34 OK 99 99 100 100 1.7-4.9 9004=97, 2.1/10789=83...(16) QG1 VAL 20 - HA ALA 34 far 0 85 0 - 7.2-24.9 QD1 LEU 48 - HA ALA 34 far 0 87 0 - 8.6-14.8 QG1 VAL 126 - HA ALA 34 far 0 60 0 - 9.0-15.7 Violated in 13 structures by 0.25 A. Peak 10792 from aliabs.peaks (0.77, 4.21, 53.17 ppm; 3.62 A): 1 out of 8 assignments used, quality = 0.99: QD1 ILE 37 + HA ALA 34 OK 99 100 100 100 1.9-5.1 1094/9004=56...(19) QD1 ILE 32 - HA ALA 34 far 0 100 0 - 5.3-8.7 QD2 LEU 43 - HA ALA 34 far 0 60 0 - 8.0-13.5 QD2 LEU 49 - HA ALA 34 far 0 73 0 - 8.1-13.6 QG1 VAL 93 - HA ALA 34 far 0 76 0 - 8.3-14.9 QD1 LEU 96 - HA ALA 34 far 0 100 0 - 8.6-14.9 QG1 VAL 63 - HA ALA 34 far 0 98 0 - 9.5-17.1 QD2 LEU 96 - HA ALA 34 far 0 73 0 - 9.9-16.0 Violated in 6 structures by 0.21 A. Peak 10793 from aliabs.peaks (1.99, 1.41, 18.59 ppm; 4.14 A): 1 out of 6 assignments used, quality = 0.65: HB ILE 37 + QB ALA 34 OK 65 87 75 100 3.8-5.8 10789/2.1=69, 10816=65...(25) HB3 GLU 30 - QB ALA 34 far 0 73 0 - 6.9-13.1 HB ILE 129 - QB ALA 34 far 0 90 0 - 8.1-15.9 HB VAL 20 - QB ALA 34 far 0 93 0 - 8.5-25.7 HG2 PRO 81 - QB ALA 34 far 0 83 0 - 9.3-17.9 HB3 MET 11 - QB ALA 34 far 0 68 0 - 9.4-30.2 Violated in 18 structures by 0.71 A. Peak 10794 from aliabs.peaks (4.20, 4.51, 54.59 ppm; 3.80 A): 2 out of 5 assignments used, quality = 0.96: HA ALA 34 + HA ASP 35 OK 93 95 100 99 4.6-4.9 6380/3.0=69...(16) HB3 SER 38 + HA ASP 35 OK 39 93 50 83 3.1-7.4 1.8/10795=67...(8) HB THR 18 - HA ASP 35 far 0 83 0 - 6.9-36.6 HB THR 25 - HA ASP 35 far 0 96 0 - 7.3-25.2 HA ALA 29 - HA ASP 35 far 0 68 0 - 9.2-15.1 Violated in 13 structures by 0.48 A. Peak 10795 from aliabs.peaks (4.00, 4.51, 54.59 ppm; 4.08 A): 0 out of 4 assignments used, quality = 0.00: HB2 SER 38 - HA ASP 35 poor 14 100 30 48 4.6-8.3 1.8/10794=24...(4) HA ILE 37 - HA ASP 35 far 0 90 0 - 6.3-7.0 HA VAL 20 - HA ASP 35 far 0 93 0 - 7.0-31.9 HA GLN 68 - HA ASP 35 far 0 100 0 - 8.2-14.2 Violated in 20 structures by 1.54 A. Peak 10796 from aliabs.peaks (4.11, 4.51, 54.59 ppm; 4.87 A): 0 out of 4 assignments used, quality = 0.00: HA ILE 32 - HA ASP 35 far 0 100 0 - 6.8-9.9 HA CYS 79 - HA ASP 35 far 0 100 0 - 6.8-19.2 HA ILE 80 - HA ASP 35 far 0 90 0 - 7.8-18.8 HA CYS 45 - HA ASP 35 far 0 99 0 - 7.9-15.4 Violated in 20 structures by 2.88 A. Peak 10797 from aliabs.peaks (4.11, 2.65, 40.26 ppm; 4.94 A): 1 out of 4 assignments used, quality = 0.45: HA ILE 32 + HB2 ASP 35 OK 45 100 45 100 4.6-8.9 10754=100, 10755/1.8=89...(4) HA CYS 45 - HB2 ASP 35 far 5 98 5 - 6.0-17.0 HA CYS 79 - HB2 ASP 35 far 0 100 0 - 7.6-22.0 HA ILE 80 - HB2 ASP 35 far 0 85 0 - 9.7-21.2 Violated in 17 structures by 1.76 A. Peak 10798 from aliabs.peaks (4.10, 2.73, 40.26 ppm; 4.99 A): 2 out of 6 assignments used, quality = 0.62: HA ILE 32 + HB3 ASP 35 OK 39 97 40 100 4.7-9.3 10755=94, 10754/1.8=92...(5) HA CYS 79 + HB3 ASP 78 OK 38 53 100 71 4.4-5.8 ~7061=58, 9687/7056=30 HA CYS 45 - HB3 ASP 35 far 0 87 0 - 7.6-16.8 HA ILE 80 - HB3 ASP 78 far 0 29 0 - 7.7-8.4 HA ILE 32 - HB3 ASP 78 far 0 51 0 - 8.5-25.7 HA CYS 79 - HB3 ASP 35 far 0 98 0 - 8.9-21.8 Violated in 14 structures by 0.36 A. Peak 10799 from aliabs.peaks (1.81, 4.51, 54.59 ppm; 5.38 A): 1 out of 8 assignments used, quality = 0.99: HB2 LYS 36 + HA ASP 35 OK 99 99 100 100 5.3-6.4 6392/6388=97...(17) HB ILE 32 - HA ASP 35 far 15 100 15 - 6.2-10.8 HB2 CYS 79 - HA ASP 35 far 13 85 15 - 4.2-16.4 HB3 LYS 24 - HA ASP 35 far 5 100 5 - 4.5-25.9 HB3 ARG 23 - HA ASP 35 far 5 99 5 - 4.6-29.1 HB3 LYS 26 - HA ASP 35 far 0 100 0 - 8.4-23.3 HB3 LYS 31 - HA ASP 35 far 0 100 0 - 8.6-14.2 HB3 LYS 19 - HA ASP 35 far 0 100 0 - 9.6-36.4 Violated in 18 structures by 0.33 A. Peak 10800 from aliabs.peaks (1.66, 4.51, 54.59 ppm; 5.35 A): 2 out of 11 assignments used, quality = 0.72: HD2 LYS 36 + HA ASP 35 OK 49 100 50 99 4.0-8.3 3.5/10799=64...(21) HD3 LYS 36 + HA ASP 35 OK 44 100 45 99 5.4-7.8 3.5/10799=64...(21) HD3 LYS 24 - HA ASP 35 far 10 100 10 - 5.1-28.4 HD2 LYS 26 - HA ASP 35 far 5 100 5 - 5.5-25.5 HD2 LYS 24 - HA ASP 35 far 5 100 5 - 5.5-27.1 HD3 LYS 26 - HA ASP 35 far 5 100 5 - 6.4-25.1 HD2 LYS 39 - HA ASP 35 far 0 81 0 - 8.0-13.6 HG LEU 43 - HA ASP 35 far 0 92 0 - 8.2-14.8 HD3 LYS 19 - HA ASP 35 far 0 97 0 - 8.8-38.5 HD2 LYS 31 - HA ASP 35 far 0 100 0 - 9.0-16.1 HD2 LYS 19 - HA ASP 35 far 0 99 0 - 9.5-36.9 Violated in 17 structures by 0.82 A. Peak 10801 from aliabs.peaks (1.41, 4.51, 54.59 ppm; 3.93 A): 2 out of 10 assignments used, quality = 0.97: QB ALA 34 + HA ASP 35 OK 97 98 100 99 3.7-4.1 6381/3.0=77...(13) HG2 LYS 36 + HA ASP 35 OK 23 71 35 94 4.7-7.3 6394/6388=44...(17) QB ALA 16 - HA ASP 35 far 5 93 5 - 5.4-28.9 QB ALA 15 - HA ASP 35 far 4 73 5 - 5.3-28.8 HG2 LYS 26 - HA ASP 35 far 0 71 0 - 5.7-25.4 HG2 LYS 24 - HA ASP 35 far 0 60 0 - 6.0-28.2 HG3 LYS 26 - HA ASP 35 far 0 73 0 - 6.1-24.8 QB ALA 29 - HA ASP 35 far 0 65 0 - 7.8-13.2 HG13 ILE 32 - HA ASP 35 far 0 76 0 - 8.2-12.4 HG3 LYS 31 - HA ASP 35 far 0 83 0 - 8.5-15.1 Violated in 5 structures by 0.01 A. Peak 10802 from aliabs.peaks (1.41, 2.65, 40.26 ppm; 5.80 A): 2 out of 9 assignments used, quality = 1.00: QB ALA 34 + HB2 ASP 35 OK 99 99 100 100 4.4-5.6 6381/6383=99...(6) HG2 LYS 36 + HB2 ASP 35 OK 62 63 100 99 3.3-7.1 5.0/6389=75, ~10799=49...(9) HG13 ILE 32 - HB2 ASP 35 poor 18 83 25 87 5.8-12.2 4.1/10754=84...(3) HG3 LYS 26 - HB2 ASP 35 poor 16 65 25 - 4.1-23.8 HG3 LYS 31 - HB2 ASP 35 far 11 76 15 - 6.4-13.6 QB ALA 16 - HB2 ASP 35 far 9 89 10 - 6.4-28.8 HG2 LYS 26 - HB2 ASP 35 lone 4 78 35 16 3.9-24.3 892/10754=11, 10888/1.8=3 QB ALA 15 - HB2 ASP 35 far 3 65 5 - 6.9-28.2 QB ALA 28 - HB2 ASP 35 far 0 73 0 - 8.9-15.0 Violated in 0 structures by 0.00 A. Peak 10803 from aliabs.peaks (1.40, 2.73, 40.26 ppm; 5.36 A): 2 out of 20 assignments used, quality = 0.98: QB ALA 34 + HB3 ASP 35 OK 92 92 100 100 3.5-5.7 6381/4.0=84...(6) HG2 LYS 36 + HB3 ASP 35 OK 74 85 90 97 3.2-7.9 6394/6390=71, ~10799=41...(11) HG2 LYS 86 - HB3 ASP 78 poor 19 48 40 - 6.3-9.0 QB ALA 34 - HB3 ASP 78 poor 12 47 25 - 5.4-15.0 QB ALA 16 - HB3 ASP 35 far 10 99 10 - 6.0-28.9 HG2 LYS 24 - HB3 ASP 35 far 8 76 10 - 3.5-28.5 HG3 LYS 31 - HB3 ASP 35 far 5 93 5 - 6.3-14.2 QB ALA 15 - HB3 ASP 35 far 4 87 5 - 6.6-28.8 QB ALA 29 - HB3 ASP 35 far 4 81 5 - 6.9-13.3 HG13 ILE 32 - HB3 ASP 35 far 3 60 5 - 6.8-12.6 HG3 LYS 26 - HB3 ASP 35 lone 1 87 25 5 3.8-25.2 ~10887=3, ~10802=1 QB ALA 15 - HB3 ASP 78 far 0 43 0 - 6.9-39.9 QB ALA 16 - HB3 ASP 78 far 0 54 0 - 7.6-37.3 QB ALA 28 - HB3 ASP 78 far 0 47 0 - 9.0-26.6 HG13 ILE 32 - HB3 ASP 78 far 0 27 0 - 9.1-25.7 QB ALA 29 - HB3 ASP 78 far 0 39 0 - 9.1-21.9 HG2 LYS 19 - HB3 ASP 35 far 0 60 0 - 9.3-37.1 HB2 LEU 42 - HB3 ASP 35 far 0 68 0 - 9.7-13.2 QB ALA 28 - HB3 ASP 35 far 0 92 0 - 9.7-15.0 HG3 LYS 31 - HB3 ASP 78 far 0 48 0 - 9.7-29.5 Violated in 0 structures by 0.00 A. Peak 10804 from aliabs.peaks (1.89, 4.51, 54.59 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.97: HB3 LYS 36 + HA ASP 35 OK 97 97 100 100 5.4-6.5 6393/6388=95...(19) HB2 GLU 40 - HA ASP 35 far 15 100 15 - 5.8-13.9 Violated in 17 structures by 0.79 A. Peak 10806 from aliabs.peaks (1.16, 4.51, 54.59 ppm; 6.01 A): 1 out of 5 assignments used, quality = 0.72: QB ALA 41 + HA ASP 35 OK 72 83 90 96 1.9-7.6 9043/10795=52...(13) QG2 THR 25 - HA ASP 35 far 12 81 15 - 5.0-20.3 HG12 ILE 32 - HA ASP 35 far 10 100 10 - 7.0-12.3 QG2 THR 18 - HA ASP 35 far 5 98 5 - 7.4-31.8 HG3 LYS 39 - HA ASP 35 far 0 100 0 - 8.9-12.6 Violated in 10 structures by 0.52 A. Peak 10807 from aliabs.peaks (0.77, 4.51, 54.59 ppm; 6.06 A): 1 out of 3 assignments used, quality = 0.99: QD1 ILE 37 + HA ASP 35 OK 99 100 100 100 4.6-6.9 10792/10794=61...(18) QD1 ILE 32 - HA ASP 35 poor 18 100 25 72 6.2-11.0 ~11784=32, 10893/6388=23...(9) QD2 LEU 43 - HA ASP 35 far 0 60 0 - 8.4-13.9 Violated in 6 structures by 0.08 A. Peak 10810 from aliabs.peaks (0.84, 1.88, 32.86 ppm; 4.46 A): 1 out of 6 assignments used, quality = 0.85: QG2 ILE 32 + HB3 LYS 36 OK 85 100 85 100 2.0-7.1 10892/6393=54...(48) QD2 LEU 69 - HB3 LYS 36 far 11 76 15 - 3.8-13.1 QD2 LEU 22 - HB3 LYS 36 far 0 100 0 - 6.6-27.9 QD2 LEU 70 - HB3 LYS 36 far 0 93 0 - 7.6-14.8 QG1 VAL 133 - HB3 LYS 36 far 0 100 0 - 8.4-14.2 QG2 ILE 129 - HB3 LYS 36 far 0 85 0 - 8.6-14.4 Violated in 11 structures by 0.51 A. Peak 10812 from aliabs.peaks (0.85, 1.66, 28.74 ppm; 3.79 A): 6 out of 59 assignments used, quality = 1.00: QG2 ILE 32 + HD2 LYS 36 OK 94 95 100 100 1.8-4.4 10810/3.5=40...(79) QG2 ILE 32 + HD3 LYS 36 OK 94 94 100 100 1.8-5.2 10810/3.5=40...(80) QD1 LEU 98 + HD3 LYS 95 OK 36 85 50 84 3.1-7.5 11469/5.0=25, 3186=17...(23) QG2 ILE 32 + HD3 LYS 26 OK 35 87 50 81 2.4-14.9 10721/3.0=9, 10721/3.0=9...(31) QD1 LEU 98 + HD2 LYS 95 OK 29 78 45 84 3.0-7.5 11469/5.0=25, 3186=15...(23) QG2 ILE 32 + HD2 LYS 26 OK 29 86 40 84 3.5-15.6 10837=9, 10721/3.0=9...(33) QG2 ILE 32 - HD3 LYS 31 poor 19 85 30 75 4.1-9.0 3.2/10763=7, 10837=6...(31) QD2 LEU 22 - HD3 LYS 24 poor 18 88 20 - 4.6-10.0 QG2 ILE 32 - HD2 LYS 31 poor 16 81 25 77 4.6-8.4 3.2/10763=6, 10837/1.8=5...(27) QD2 LEU 22 - HD3 LYS 19 far 11 72 15 - 3.8-10.6 QD2 LEU 22 - HD2 LYS 24 far 10 96 10 - 4.2-10.0 QG2 ILE 32 - HD2 LYS 24 far 9 94 10 - 5.1-16.1 QD1 LEU 98 - HD2 LYS 24 far 5 99 5 - 2.1-32.5 QD1 LEU 98 - HD3 LYS 24 far 5 92 5 - 2.3-31.5 QG2 ILE 32 - HD3 LYS 24 far 4 85 5 - 3.9-16.7 QD2 LEU 22 - HD2 LYS 19 far 4 79 5 - 4.0-11.2 QD2 LEU 69 - HD2 LYS 36 far 0 93 0 - 5.7-11.5 QD2 LEU 69 - HD3 LYS 36 far 0 93 0 - 6.2-11.8 QG1 VAL 133 - HD2 LYS 36 far 0 95 0 - 6.5-14.5 QG2 VAL 57 - HD2 LYS 19 far 0 84 0 - 6.7-31.3 QD2 LEU 69 - HD2 LYS 31 far 0 80 0 - 6.8-15.7 QD2 LEU 22 - HD2 LYS 26 far 0 89 0 - 6.8-14.5 QD2 LEU 70 - HD3 LYS 31 far 0 93 0 - 6.8-17.4 QD2 LEU 70 - HD3 LYS 36 far 0 100 0 - 6.9-13.5 QG1 VAL 133 - HD3 LYS 36 far 0 94 0 - 6.9-15.5 QG2 ILE 129 - HD2 LYS 36 far 0 63 0 - 7.0-13.5 QG2 VAL 57 - HD3 LYS 24 far 0 93 0 - 7.0-24.7 QD2 LEU 70 - HD2 LYS 31 far 0 89 0 - 7.1-17.0 QG2 VAL 57 - HD2 LYS 24 far 0 100 0 - 7.1-25.2 QD2 LEU 22 - HD3 LYS 26 far 0 90 0 - 7.2-13.6 QG2 ILE 129 - HD2 LYS 95 far 0 44 0 - 7.3-11.4 QD2 LEU 70 - HD2 LYS 36 far 0 100 0 - 7.4-12.4 QG2 VAL 57 - HD3 LYS 19 far 0 77 0 - 7.5-30.8 QG2 ILE 129 - HD3 LYS 95 far 0 49 0 - 7.5-10.3 QD2 LEU 69 - HD3 LYS 26 far 0 86 0 - 7.7-19.4 QD2 LEU 70 - HD3 LYS 95 far 0 86 0 - 7.7-11.2 QG2 ILE 32 - HD3 LYS 19 far 0 70 0 - 7.9-24.7 QD2 LEU 69 - HD2 LYS 26 far 0 85 0 - 7.9-19.7 QG2 ILE 129 - HD3 LYS 36 far 0 63 0 - 7.9-14.7 QG2 ILE 32 - HD2 LYS 19 far 0 76 0 - 8.0-23.4 QD2 LEU 69 - HD3 LYS 31 far 0 84 0 - 8.1-14.7 QD2 LEU 70 - HD2 LYS 95 far 0 79 0 - 8.2-10.8 QD1 LEU 98 - HD2 LYS 26 far 0 92 0 - 8.4-26.3 QD2 LEU 22 - HD3 LYS 36 far 0 96 0 - 8.8-25.8 QD2 LEU 69 - HD3 LYS 24 far 0 84 0 - 8.8-20.1 QD2 LEU 69 - HD2 LYS 95 far 0 70 0 - 8.9-15.0 QD1 LEU 98 - HD3 LYS 26 far 0 93 0 - 9.0-27.3 QD2 LEU 70 - HD2 LYS 26 far 0 94 0 - 9.1-17.5 QD2 LEU 22 - HD2 LYS 36 far 0 97 0 - 9.1-25.3 QD2 LEU 22 - HD3 LYS 31 far 0 88 0 - 9.1-19.9 QD2 LEU 70 - HD2 LYS 24 far 0 100 0 - 9.5-23.1 QD2 LEU 69 - HD3 LYS 95 far 0 77 0 - 9.6-14.3 QG1 VAL 133 - HD2 LYS 95 far 0 72 0 - 9.7-14.6 QD2 LEU 70 - HD3 LYS 24 far 0 93 0 - 9.7-23.8 QD2 LEU 22 - HD2 LYS 31 far 0 84 0 - 9.7-18.9 QG2 VAL 57 - HD3 LYS 26 far 0 94 0 - 9.9-23.3 QG2 VAL 57 - HD2 LYS 26 far 0 94 0 - 9.9-23.5 QD2 LEU 69 - HD2 LYS 24 far 0 93 0 - 10.0-21.0 QD2 LEU 70 - HD3 LYS 26 far 0 94 0 - 10.0-17.4 Violated in 0 structures by 0.00 A. Peak 10813 from aliabs.peaks (0.78, 2.96, 41.80 ppm; 4.01 A): 8 out of 58 assignments used, quality = 1.00: QD1 ILE 32 + HE2 LYS 36 OK 74 97 80 95 2.0-8.0 9008=17, 930/10766=16...(82) QD1 ILE 32 + HE3 LYS 36 OK 69 97 75 95 1.9-8.5 930/10757=19, 9008=16...(81) QD1 ILE 32 + HE2 LYS 31 OK 43 97 55 80 2.3-9.3 10802/7.1=11, 9008=10...(44) QD1 ILE 37 + HE2 LYS 36 OK 40 97 45 91 1.9-8.1 10918/3.0=35...(14) QD1 ILE 32 + HE3 LYS 31 OK 38 93 50 82 2.2-9.8 10802/7.1=11, 9008=9...(49) QD1 ILE 32 + HE3 LYS 26 OK 36 97 45 82 3.3-14.4 10704/3.6=11...(37) QD1 ILE 37 + HE3 LYS 36 OK 35 97 40 91 3.3-7.8 10918/3.0=35...(14) QD1 ILE 32 + HE2 LYS 26 OK 32 97 40 82 3.4-14.6 10704/3.6=11, 9008=11...(37) QG1 VAL 63 - HE3 LYS 31 far 0 96 0 - 5.6-17.0 QD1 ILE 37 - HE2 LYS 26 far 0 97 0 - 5.7-21.2 QD1 ILE 37 - HE3 LYS 26 far 0 97 0 - 5.8-21.2 QG1 VAL 63 - HE2 LYS 24 far 0 96 0 - 6.0-24.0 QD1 ILE 37 - HE2 LYS 31 far 0 97 0 - 6.0-15.0 QD2 LEU 49 - HE2 LYS 36 far 0 85 0 - 6.0-12.3 QD2 LEU 49 - HE3 LYS 36 far 0 85 0 - 6.2-13.6 QD2 LEU 49 - HE3 LYS 26 far 0 84 0 - 6.5-19.2 QD1 ILE 32 - HE2 LYS 24 far 0 93 0 - 6.7-15.0 QD1 ILE 37 - HE3 LYS 31 far 0 93 0 - 6.8-14.2 QD1 ILE 32 - HE3 LYS 24 far 0 78 0 - 6.8-15.9 QG1 VAL 63 - HE2 LYS 31 far 0 100 0 - 6.9-17.2 QD2 LEU 49 - HE2 LYS 26 far 0 85 0 - 7.0-18.9 QG1 VAL 63 - HE3 LYS 24 far 0 83 0 - 7.0-25.2 QG1 VAL 63 - HE3 LYS 26 far 0 100 0 - 7.2-17.9 QG1 VAL 63 - HE2 LYS 26 far 0 100 0 - 7.3-16.7 QD2 LEU 49 - HE3 LYS 24 far 0 65 0 - 7.5-20.5 QG1 VAL 63 - HE3 LYS 36 far 0 100 0 - 7.6-17.5 QD1 LEU 103 - HE3 LYS 26 far 0 100 0 - 7.9-20.9 QD2 LEU 96 - HE2 LYS 36 far 0 60 0 - 7.9-14.4 QD2 LEU 49 - HE2 LYS 24 far 0 79 0 - 7.9-20.8 QD2 LEU 96 - HE3 LYS 36 far 0 60 0 - 8.1-14.7 QD1 ILE 37 - HE2 LYS 24 far 0 93 0 - 8.1-22.6 QD2 LEU 49 - HE2 LYS 31 far 0 85 0 - 8.2-17.3 QG1 VAL 93 - HE3 LYS 86 far 0 37 0 - 8.2-11.0 QD1 LEU 122 - HE3 LYS 36 far 0 63 0 - 8.2-18.4 QG1 VAL 93 - HE2 LYS 36 far 0 63 0 - 8.3-15.9 QD1 LEU 96 - HE2 LYS 36 far 0 100 0 - 8.3-15.3 QG1 VAL 63 - HE2 LYS 36 far 0 100 0 - 8.3-16.6 QD2 LEU 119 - HE3 LYS 24 far 0 77 0 - 8.3-26.7 QG1 VAL 93 - HE2 LYS 31 far 0 63 0 - 8.4-21.3 QD2 LEU 119 - HE2 LYS 26 far 0 96 0 - 8.4-22.4 QD2 LEU 49 - HE3 LYS 31 far 0 79 0 - 8.4-18.2 QD1 LEU 96 - HE3 LYS 36 far 0 100 0 - 8.6-15.7 QD1 LEU 122 - HE2 LYS 26 far 0 63 0 - 8.6-18.2 QD1 LEU 122 - HE3 LYS 26 far 0 62 0 - 8.6-18.7 QD1 ILE 32 - HE3 LYS 19 far 0 96 0 - 8.7-22.9 QD1 ILE 37 - HE3 LYS 24 far 0 78 0 - 8.8-23.3 QD2 LEU 119 - HE2 LYS 24 far 0 92 0 - 9.0-25.7 QG1 VAL 93 - HE3 LYS 36 far 0 63 0 - 9.0-15.8 QD1 LEU 122 - HE2 LYS 36 far 0 63 0 - 9.1-17.3 QD1 ILE 32 - HE2 LYS 19 far 0 96 0 - 9.1-23.1 QD1 LEU 103 - HE2 LYS 26 far 0 100 0 - 9.1-22.1 QD1 LEU 53 - HE2 LYS 26 far 0 92 0 - 9.3-22.8 QD2 LEU 119 - HE3 LYS 26 far 0 96 0 - 9.3-21.3 QG1 VAL 93 - HE3 LYS 31 far 0 58 0 - 9.4-20.5 QD2 LEU 122 - HE3 LYS 36 far 0 99 0 - 9.5-16.3 QD2 LEU 122 - HE2 LYS 36 far 0 99 0 - 9.8-15.1 QD2 LEU 119 - HE3 LYS 19 far 0 95 0 - 9.9-32.9 QD2 LEU 122 - HE3 LYS 31 far 0 94 0 - 10.0-18.6 Violated in 0 structures by 0.00 A. Peak 10815 from aliabs.peaks (1.17, 4.02, 61.09 ppm; 4.67 A): 2 out of 11 assignments used, quality = 0.99: QB ALA 41 + HA ILE 37 OK 99 99 100 100 1.8-4.4 10819/1089=87...(15) HB3 LEU 62 + HA SER 60 OK 28 43 90 73 5.5-6.3 4.5/6801=40...(8) QG2 THR 25 - HA SER 60 far 7 67 10 - 5.7-21.3 HG12 ILE 32 - HA ILE 37 far 5 93 5 - 6.1-12.3 QG2 THR 18 - HA ILE 37 far 0 100 0 - 6.5-30.8 QG2 THR 18 - HA SER 60 far 0 71 0 - 6.6-31.4 HG3 LYS 39 - HA ILE 37 far 0 99 0 - 8.5-10.3 QG2 THR 25 - HA ILE 37 far 0 98 0 - 8.6-22.0 HG12 ILE 32 - HA SER 60 far 0 61 0 - 8.8-19.4 QG2 VAL 77 - HA ILE 37 far 0 87 0 - 8.9-15.0 QG2 VAL 132 - HA ILE 37 far 0 63 0 - 10.0-14.9 Violated in 0 structures by 0.00 A. Peak 10816 from aliabs.peaks (1.41, 1.97, 37.79 ppm; 4.42 A): 1 out of 7 assignments used, quality = 1.00: QB ALA 34 + HB ILE 37 OK 100 100 100 100 3.8-5.8 10877=98, 2.1/10789=87...(25) QB ALA 16 - HB ILE 37 far 8 85 10 - 4.5-26.6 QB ALA 15 - HB ILE 37 far 0 60 0 - 7.1-28.0 HG3 LYS 19 - HB ILE 37 far 0 65 0 - 7.5-33.6 HG13 ILE 32 - HB ILE 37 far 0 87 0 - 8.4-12.9 HG3 LYS 26 - HB ILE 37 far 0 60 0 - 9.6-24.6 HG2 LYS 26 - HB ILE 37 far 0 83 0 - 9.7-24.8 Violated in 14 structures by 0.48 A. Peak 10817 from aliabs.peaks (1.39, 4.02, 61.09 ppm; 5.08 A): 3 out of 22 assignments used, quality = 1.00: HG2 LYS 36 + HA ILE 37 OK 99 99 100 100 2.9-6.4 6406/2.9=84, ~6407=59...(31) HB2 LEU 42 + HA ILE 37 OK 74 95 80 97 3.6-8.0 ~10821=42, ~10826=41...(13) QB ALA 34 + HA ILE 37 OK 56 63 90 100 5.0-7.0 10908/3.0=62, ~10789=59...(17) QB ALA 108 - HA SER 60 poor 18 69 55 48 1.9-14.7 9409/6818=24...(6) QB ALA 109 - HA SER 60 poor 10 71 65 22 3.3-15.5 9409/6818=11...(3) QB ALA 16 - HA ILE 37 far 5 100 5 - 3.6-26.9 QB ALA 28 - HA SER 60 far 4 71 5 - 4.1-19.0 HG3 LYS 26 - HA SER 60 far 3 70 5 - 4.4-22.9 HG2 LYS 24 - HA SER 60 far 3 66 5 - 6.6-28.0 QB ALA 12 - HA SER 60 far 2 39 5 - 5.7-34.4 QB ALA 110 - HA SER 60 lone 0 70 40 2 3.4-16.8 QB ALA 29 - HA SER 60 far 0 68 0 - 6.7-14.2 QB ALA 12 - HA ILE 37 far 0 65 0 - 6.9-27.8 QB ALA 29 - HA ILE 37 far 0 99 0 - 7.6-12.6 QB ALA 15 - HA ILE 37 far 0 100 0 - 7.7-27.2 HG2 LYS 24 - HA ILE 37 far 0 97 0 - 8.4-27.0 HG3 LYS 31 - HA SER 60 far 0 71 0 - 8.6-21.7 QB ALA 16 - HA SER 60 far 0 70 0 - 8.7-30.6 HG2 LYS 19 - HA SER 60 far 0 58 0 - 8.7-36.9 HG3 LYS 31 - HA ILE 37 far 0 100 0 - 9.2-17.3 HG3 LYS 26 - HA ILE 37 far 0 100 0 - 9.4-26.1 HB3 LEU 100 - HA SER 60 far 0 63 0 - 9.6-12.4 Violated in 1 structures by 0.02 A. Peak 10818 from aliabs.peaks (1.66, 0.93, 17.29 ppm; 3.99 A): 2 out of 16 assignments used, quality = 0.88: HD2 LYS 36 + QG2 ILE 37 OK 68 100 70 98 2.9-6.6 3.5/10913=48...(21) HD3 LYS 36 + QG2 ILE 37 OK 63 100 65 98 1.9-6.8 3.5/10913=48...(21) HB2 LEU 69 - QG2 ILE 37 far 15 99 15 - 3.7-10.2 HD3 LYS 24 - QG2 ILE 37 far 0 100 0 - 6.4-22.6 HD2 LYS 39 - QG2 ILE 37 far 0 78 0 - 7.1-10.9 HD2 LYS 24 - QG2 ILE 37 far 0 100 0 - 7.2-23.3 HG LEU 43 - QG2 ILE 37 far 0 93 0 - 7.4-10.1 HD2 LYS 26 - QG2 ILE 37 far 0 100 0 - 7.5-20.6 HD3 LYS 26 - QG2 ILE 37 far 0 100 0 - 7.9-21.7 HD3 LYS 31 - QG2 ILE 37 far 0 100 0 - 8.2-15.2 HD3 LYS 19 - QG2 ILE 37 far 0 98 0 - 8.6-28.1 HD2 LYS 31 - QG2 ILE 37 far 0 100 0 - 8.7-15.0 HD2 LYS 19 - QG2 ILE 37 far 0 99 0 - 8.8-27.6 HD3 LYS 86 - QG2 ILE 37 far 0 100 0 - 8.9-17.6 HB2 LEU 123 - QG2 ILE 37 far 0 99 0 - 9.1-17.4 HD2 LYS 86 - QG2 ILE 37 far 0 100 0 - 9.4-17.9 Violated in 12 structures by 0.48 A. Peak 10819 from aliabs.peaks (1.18, 0.93, 17.29 ppm; 3.30 A): 1 out of 6 assignments used, quality = 0.80: QB ALA 41 + QG2 ILE 37 OK 80 100 80 100 1.9-5.4 9069=92, 9070/1094=40...(21) QG2 THR 18 - QG2 ILE 37 far 5 97 5 - 4.0-23.5 HG12 ILE 32 - QG2 ILE 37 far 0 81 0 - 6.0-10.5 QG2 THR 25 - QG2 ILE 37 far 0 100 0 - 6.6-16.6 QG2 VAL 77 - QG2 ILE 37 far 0 97 0 - 6.9-11.9 HG3 LYS 39 - QG2 ILE 37 far 0 93 0 - 8.0-9.4 Violated in 14 structures by 0.76 A. Peak 10820 from aliabs.peaks (1.39, 0.93, 17.29 ppm; 3.63 A): 2 out of 15 assignments used, quality = 0.91: HG2 LYS 36 + QG2 ILE 37 OK 81 98 85 97 2.9-5.8 3.0/10913=44...(20) QB ALA 34 + QG2 ILE 37 OK 53 71 75 100 2.7-5.5 2.1/9004=65...(22) HB2 LEU 42 - QG2 ILE 37 poor 18 90 20 - 4.6-6.9 QB ALA 16 - QG2 ILE 37 far 10 100 10 - 3.2-22.0 HG2 LYS 24 - QG2 ILE 37 far 0 95 0 - 5.8-23.0 QB ALA 15 - QG2 ILE 37 far 0 99 0 - 6.1-23.2 QB ALA 29 - QG2 ILE 37 far 0 97 0 - 6.4-10.6 HG3 LYS 31 - QG2 ILE 37 far 0 100 0 - 7.8-14.4 HG LEU 96 - QG2 ILE 37 far 0 99 0 - 7.9-12.9 HG2 LYS 19 - QG2 ILE 37 far 0 85 0 - 8.2-26.9 HB2 LEU 96 - QG2 ILE 37 far 0 98 0 - 8.8-13.7 HG3 LYS 26 - QG2 ILE 37 far 0 99 0 - 8.8-20.4 HG2 LYS 86 - QG2 ILE 37 far 0 73 0 - 8.8-16.1 HB3 LEU 100 - QG2 ILE 37 far 0 90 0 - 8.8-15.2 QB ALA 28 - QG2 ILE 37 far 0 100 0 - 9.7-13.8 Violated in 12 structures by 0.31 A. Peak 10821 from aliabs.peaks (0.64, 0.93, 17.29 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.85: QD1 LEU 42 + QG2 ILE 37 OK 85 100 85 100 2.3-6.2 1324/10826=42...(29) QD1 ILE 129 - QG2 ILE 37 far 0 93 0 - 6.4-10.6 Violated in 15 structures by 0.72 A. Peak 10822 from aliabs.peaks (1.83, 0.93, 17.29 ppm; 4.20 A): 1 out of 10 assignments used, quality = 0.46: HB2 LYS 36 + QG2 ILE 37 OK 46 93 50 99 3.3-6.8 6404/6414=59...(18) HB2 CYS 79 - QG2 ILE 37 poor 18 100 35 53 3.3-12.8 1.8/10824=29...(6) HB ILE 32 - QG2 ILE 37 poor 17 83 20 - 5.3-9.8 HB3 ARG 23 - QG2 ILE 37 far 5 95 5 - 5.5-22.6 HB3 LYS 24 - QG2 ILE 37 far 0 89 0 - 5.8-20.8 HB3 LYS 26 - QG2 ILE 37 far 0 90 0 - 8.2-18.9 HB VAL 93 - QG2 ILE 37 far 0 100 0 - 8.5-14.0 HB3 LYS 19 - QG2 ILE 37 far 0 73 0 - 8.5-26.5 HB3 LYS 31 - QG2 ILE 37 far 0 85 0 - 8.9-13.6 HB2 LEU 100 - QG2 ILE 37 far 0 98 0 - 9.1-14.8 Violated in 18 structures by 1.42 A. Peak 10823 from aliabs.peaks (2.75, 0.93, 17.29 ppm; 4.26 A): 1 out of 7 assignments used, quality = 0.35: HB2 TYR 76 + QG2 ILE 37 OK 35 89 40 100 2.3-9.4 2.6/9019=81...(17) HB3 ASP 35 - QG2 ILE 37 far 8 85 10 - 5.7-8.4 HB3 ASP 78 - QG2 ILE 37 far 8 76 10 - 5.4-14.2 HB2 CYS 73 - QG2 ILE 37 far 5 99 5 - 5.5-10.3 HB2 ASP 64 - QG2 ILE 37 far 0 100 0 - 6.1-16.4 HB2 ASP 47 - QG2 ILE 37 far 0 57 0 - 8.8-13.9 HB2 CYS 125 - QG2 ILE 37 far 0 90 0 - 9.5-16.0 Violated in 14 structures by 2.05 A. Peak 10824 from aliabs.peaks (2.60, 0.93, 17.29 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.46: HB2 ASP 71 + QG2 ILE 37 OK 27 96 45 62 3.8-8.5 11925/9022=40, 4.6/9023=36 HB3 CYS 79 + QG2 ILE 37 OK 27 100 40 67 4.5-12.9 11818/11155=28...(5) Violated in 12 structures by 0.72 A. Peak 10825 from aliabs.peaks (3.36, 0.93, 17.29 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.77: HB3 TYR 72 + QG2 ILE 37 OK 77 90 85 100 1.8-5.9 1.8/9010=80, 2.7/9022=73...(34) HB2 HIS 67 - QG2 ILE 37 far 0 93 0 - 5.9-12.8 HA VAL 63 - QG2 ILE 37 far 0 99 0 - 8.0-15.9 HB3 PHE 89 - QG2 ILE 37 far 0 87 0 - 9.6-14.3 Violated in 14 structures by 0.61 A. Peak 10826 from aliabs.peaks (3.47, 0.93, 17.29 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.65: HA LEU 42 + QG2 ILE 37 OK 65 100 65 99 2.8-6.9 1324/10821=59...(21) HA VAL 77 - QG2 ILE 37 far 0 89 0 - 6.3-12.9 Violated in 13 structures by 0.92 A. Peak 10827 from aliabs.peaks (1.15, 1.27, 27.60 ppm; 4.59 A): 1 out of 6 assignments used, quality = 0.73: QB ALA 41 + HG12 ILE 37 OK 73 73 100 100 3.7-5.1 10917/1.8=87...(13) HG12 ILE 32 - HG12 ILE 37 far 5 100 5 - 6.0-12.3 QG2 THR 18 - HG12 ILE 37 far 0 95 0 - 6.3-29.9 QG2 THR 25 - HG12 ILE 37 far 0 71 0 - 7.7-19.2 HG3 LYS 39 - HG12 ILE 37 far 0 98 0 - 8.5-11.2 HG2 LYS 39 - HG12 ILE 37 far 0 89 0 - 9.1-11.8 Violated in 7 structures by 0.09 A. Peak 10828 from aliabs.peaks (1.16, 1.55, 27.60 ppm; 4.51 A): 1 out of 7 assignments used, quality = 0.78: QB ALA 41 + HG13 ILE 37 OK 78 92 85 100 3.0-6.5 10910/1093=82...(14) QG2 THR 18 - HG13 ILE 37 far 5 100 5 - 5.7-30.0 HG12 ILE 32 - HG13 ILE 37 far 5 99 5 - 5.6-11.2 HG3 LYS 39 - HG13 ILE 37 far 0 100 0 - 7.3-12.0 QG2 THR 25 - HG13 ILE 37 far 0 90 0 - 7.4-19.9 HG2 LYS 39 - HG13 ILE 37 far 0 68 0 - 7.9-12.5 QG2 VAL 77 - HG13 ILE 37 far 0 71 0 - 9.5-15.4 Violated in 14 structures by 0.69 A. Peak 10829 from aliabs.peaks (1.66, 0.77, 12.10 ppm; 4.13 A): 7 out of 29 assignments used, quality = 1.00: HD3 LYS 36 + QD1 ILE 37 OK 86 100 90 96 2.1-7.5 10818/1094=33...(23) HD2 LYS 36 + QD1 ILE 37 OK 62 100 65 96 1.8-6.5 10818/1094=35...(23) HD3 LYS 36 + QD1 ILE 32 OK 57 76 75 99 2.9-7.6 10837/909=25, ~10901=24...(96) HD2 LYS 36 + QD1 ILE 32 OK 53 76 70 99 2.2-6.6 10837/909=27, ~10901=24...(94) HD3 LYS 31 + QD1 ILE 32 OK 30 76 45 88 1.8-8.7 6.2/10802=11...(58) HD2 LYS 31 + QD1 ILE 32 OK 30 75 45 89 2.7-8.9 6.2/10802=11...(56) HD2 LYS 26 + QD1 ILE 32 OK 26 76 40 86 4.0-13.3 2.9/10704=14, ~10767=10...(46) HD3 LYS 26 - QD1 ILE 32 poor 19 76 30 83 2.8-12.9 2.9/10704=14...(47) HB2 LEU 69 - QD1 ILE 37 far 15 97 15 - 4.2-10.0 HD3 LYS 26 - QD1 ILE 37 far 5 100 5 - 5.3-20.4 HB2 LEU 69 - QD1 ILE 32 far 4 71 5 - 5.5-9.2 HG LEU 43 - QD1 ILE 37 far 0 89 0 - 5.7-11.1 HD2 LYS 24 - QD1 ILE 32 far 0 76 0 - 5.8-14.0 HD3 LYS 24 - QD1 ILE 32 far 0 74 0 - 6.1-14.4 HD2 LYS 26 - QD1 ILE 37 far 0 100 0 - 6.3-20.3 HD3 LYS 19 - QD1 ILE 32 far 0 69 0 - 6.9-22.8 HD2 LYS 19 - QD1 ILE 32 far 0 71 0 - 7.2-22.4 HG LEU 43 - QD1 ILE 32 far 0 61 0 - 7.3-16.0 HD3 LYS 31 - QD1 ILE 37 far 0 100 0 - 7.4-14.0 HD2 LYS 31 - QD1 ILE 37 far 0 100 0 - 7.8-15.0 HD2 LYS 39 - QD1 ILE 37 far 0 85 0 - 8.0-11.9 HD3 LYS 24 - QD1 ILE 37 far 0 99 0 - 8.3-21.7 HG LEU 62 - QD1 ILE 32 far 0 65 0 - 8.4-14.9 HD2 LYS 39 - QD1 ILE 32 far 0 58 0 - 8.9-19.0 HD2 LYS 86 - QD1 ILE 37 far 0 100 0 - 9.1-18.3 HD2 LYS 24 - QD1 ILE 37 far 0 100 0 - 9.3-21.9 HB2 LEU 123 - QD1 ILE 37 far 0 97 0 - 9.4-17.7 HB2 LEU 123 - QD1 ILE 32 far 0 70 0 - 9.5-15.2 HG LEU 62 - QD1 ILE 37 far 0 92 0 - 10.0-18.6 Violated in 0 structures by 0.00 A. Peak 10830 from aliabs.peaks (4.21, 0.77, 12.10 ppm; 3.44 A): 3 out of 15 assignments used, quality = 0.98: HA ALA 34 + QD1 ILE 37 OK 95 100 95 100 1.9-5.1 10873=88, 9004/1094=47...(19) HA ALA 29 + QD1 ILE 32 OK 59 60 100 98 1.6-4.3 10737=57, 2.1/10739=47...(17) HA GLU 30 + QD1 ILE 32 OK 33 74 50 88 1.7-7.0 ~10769=22, 10819/6356=20...(18) HA HIS 67 - QD1 ILE 32 poor 15 76 20 - 4.0-9.6 HB3 SER 38 - QD1 ILE 37 far 15 99 15 - 3.5-6.6 HB THR 25 - QD1 ILE 32 far 3 56 5 - 3.7-13.4 HA ALA 29 - QD1 ILE 37 far 0 87 0 - 5.1-11.6 HA ALA 34 - QD1 ILE 32 far 0 75 0 - 5.3-8.7 HB THR 18 - QD1 ILE 37 far 0 63 0 - 5.6-28.4 HA HIS 67 - QD1 ILE 37 far 0 100 0 - 6.4-11.5 HA SER 94 - QD1 ILE 32 far 0 39 0 - 7.3-17.0 HB3 SER 38 - QD1 ILE 32 far 0 74 0 - 7.6-13.4 HA GLU 30 - QD1 ILE 37 far 0 99 0 - 7.8-13.2 HB THR 18 - QD1 ILE 32 far 0 41 0 - 9.1-22.5 HB THR 25 - QD1 ILE 37 far 0 83 0 - 9.6-19.4 Violated in 0 structures by 0.00 A. Peak 10831 from aliabs.peaks (4.52, 0.77, 12.10 ppm; 4.59 A): 3 out of 6 assignments used, quality = 0.97: HA ASP 35 + QD1 ILE 37 OK 71 97 75 98 4.6-6.9 10794/10873=42, 10807=35...(16) HA TYR 72 + QD1 ILE 37 OK 67 71 95 100 2.4-9.2 3.4/9024=56...(25) HA SER 38 + QD1 ILE 37 OK 65 68 95 100 2.3-6.2 3.0/6426=69, ~6424=42...(31) HA TYR 72 - QD1 ILE 32 far 2 47 5 - 3.3-12.3 HA ASP 35 - QD1 ILE 32 far 0 70 0 - 6.2-11.0 HA SER 38 - QD1 ILE 32 far 0 45 0 - 7.5-13.0 Violated in 1 structures by 0.05 A. Peak 10832 from aliabs.peaks (4.52, 1.55, 27.60 ppm; 4.66 A): 3 out of 3 assignments used, quality = 0.94: HA SER 38 + HG13 ILE 37 OK 64 76 85 100 3.4-6.4 3.0/6425=48, ~6424=46...(31) HA ASP 35 + HG13 ILE 37 OK 61 93 70 94 4.6-7.0 10794/9006=36...(12) HA TYR 72 + HG13 ILE 37 OK 59 78 75 100 3.6-9.9 9015/1093=46, ~9024=37...(27) Violated in 8 structures by 0.18 A. Peak 10833 from aliabs.peaks (4.31, 0.93, 17.29 ppm; 3.57 A): 2 out of 10 assignments used, quality = 0.63: HA TYR 76 + QG2 ILE 37 OK 39 99 40 99 2.2-10.5 3.1/9019=54...(23) HA2 GLY 75 + QG2 ILE 37 OK 38 96 45 89 3.8-9.7 3.5/10667=45...(14) HA LYS 36 - QG2 ILE 37 poor 18 60 30 - 4.6-6.1 HA ALA 21 - QG2 ILE 37 far 0 87 0 - 5.2-25.0 HA LYS 24 - QG2 ILE 37 far 0 90 0 - 6.0-22.8 HA ALA 12 - QG2 ILE 37 far 0 63 0 - 6.3-29.1 HA SER 74 - QG2 ILE 37 far 0 71 0 - 7.1-11.8 HA THR 25 - QG2 ILE 37 far 0 76 0 - 8.4-20.7 HA PRO 81 - QG2 ILE 37 far 0 93 0 - 8.6-15.6 HA ASP 47 - QG2 ILE 37 far 0 73 0 - 9.0-14.5 Violated in 15 structures by 2.14 A. Peak 10834 from aliabs.peaks (4.29, 1.97, 37.79 ppm; 5.36 A): 2 out of 10 assignments used, quality = 0.99: HA LYS 36 + HB ILE 37 OK 99 99 100 100 5.7-6.6 6403/6413=98...(25) HA TYR 76 + HB ILE 37 OK 41 92 45 100 4.4-12.7 11155/2.1=80, ~9019=66...(18) HA THR 18 - HB ILE 37 far 5 97 5 - 2.9-32.6 HA ALA 16 - HB ILE 37 far 5 90 5 - 6.2-31.4 HA LYS 19 - HB ILE 37 far 0 81 0 - 7.4-32.2 HA ALA 15 - HB ILE 37 far 0 95 0 - 7.5-33.0 HA ALA 12 - HB ILE 37 far 0 99 0 - 7.9-36.5 HA ALA 21 - HB ILE 37 far 0 100 0 - 8.3-29.4 HA ARG 23 - HB ILE 37 far 0 93 0 - 9.8-25.5 HA SER 74 - HB ILE 37 far 0 100 0 - 9.9-13.4 Violated in 16 structures by 0.52 A. Peak 10835 from aliabs.peaks (4.28, 4.02, 61.09 ppm; 4.59 A): 2 out of 25 assignments used, quality = 1.00: HA LYS 36 + HA ILE 37 OK 99 99 100 100 4.6-5.1 6403/2.9=90, ~6405=39...(23) HA GLN 61 + HA SER 60 OK 69 71 100 97 4.6-4.7 4.9=81, ~6750=37...(8) HA LYS 26 - HA SER 60 far 7 67 10 - 4.1-23.2 HA GLN 27 - HA SER 60 far 5 34 15 - 3.6-21.2 HA THR 18 - HA ILE 37 far 5 100 5 - 5.3-34.5 HA ALA 108 - HA SER 60 lone 5 71 45 15 2.5-17.7 6819/6818=6, 2.1/10817=4 HA ARG 23 - HA SER 60 far 4 71 5 - 5.9-26.4 HA ALA 109 - HA SER 60 lone 1 71 35 4 2.5-18.4 2.1/10817=3 HA ALA 110 - HA SER 60 lone 0 69 30 2 4.3-19.6 HA ALA 16 - HA ILE 37 far 0 100 0 - 6.2-33.4 HA ALA 21 - HA ILE 37 far 0 87 0 - 6.5-28.7 HA THR 25 - HA SER 60 far 0 63 0 - 6.9-23.3 HA LYS 31 - HA SER 60 far 0 69 0 - 7.6-23.6 HA ALA 12 - HA SER 60 far 0 68 0 - 8.0-41.7 HA GLN 27 - HA ILE 37 far 0 57 0 - 8.1-20.5 HA LYS 19 - HA ILE 37 far 0 99 0 - 8.4-33.8 HA LEU 22 - HA SER 60 far 0 64 0 - 9.0-29.5 HA ALA 15 - HA ILE 37 far 0 100 0 - 9.1-32.0 HA SER 74 - HA ILE 37 far 0 97 0 - 9.4-15.3 HA LEU 22 - HA ILE 37 far 0 96 0 - 9.4-29.9 HB THR 115 - HA SER 60 far 0 70 0 - 9.4-19.2 HA THR 18 - HA SER 60 far 0 70 0 - 9.6-36.9 HA THR 25 - HA ILE 37 far 0 95 0 - 9.7-24.2 HA LYS 31 - HA ILE 37 far 0 99 0 - 9.9-15.6 HA ALA 21 - HA SER 60 far 0 55 0 - 10.0-32.7 Violated in 0 structures by 0.00 A. Peak 10836 from aliabs.peaks (7.14, 1.27, 27.60 ppm; 5.44 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 72 + HG12 ILE 37 OK 100 100 100 100 3.7-6.9 9022/1092=94...(37) HD2 HIS 67 - HG12 ILE 37 far 0 68 0 - 7.7-17.1 Violated in 8 structures by 0.23 A. Peak 10837 from aliabs.peaks (6.80, 1.27, 27.60 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.90: QE TYR 72 + HG12 ILE 37 OK 90 100 90 100 4.0-8.2 9025/2.1=94...(19) HE21 GLN 68 - HG12 ILE 37 far 13 89 15 - 6.3-14.1 Violated in 14 structures by 0.61 A. Peak 10838 from aliabs.peaks (6.47, 1.27, 27.60 ppm; 6.60 A): 2 out of 2 assignments used, quality = 0.79: QE TYR 76 + HG12 ILE 37 OK 55 100 55 100 5.4-14.0 11888/1.8=90, ~10841=87...(11) QD TYR 76 + HG12 ILE 37 OK 53 63 85 100 3.7-12.9 ~10823=74, 10841/2.1=73...(21) Violated in 7 structures by 0.48 A. Peak 10839 from aliabs.peaks (7.13, 0.77, 12.10 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 72 + QD1 ILE 37 OK 98 98 100 100 1.8-5.4 9022/1094=63...(41) QD TYR 72 + QD1 ILE 32 OK 33 72 60 77 3.3-9.7 11054/10827=19...(16) Violated in 2 structures by 0.10 A. Peak 10840 from aliabs.peaks (6.81, 0.77, 12.10 ppm; 4.39 A): 3 out of 7 assignments used, quality = 0.97: QE TYR 72 + QD1 ILE 37 OK 90 100 90 100 2.2-6.4 9021/1094=69...(25) HE21 GLN 68 + QD1 ILE 32 OK 47 73 90 71 2.7-10.5 ~11018=28, 3.5/9009=25...(11) QE TYR 72 + QD1 ILE 32 OK 43 75 70 82 1.8-10.6 9540/10827=22...(20) HE21 GLN 68 - QD1 ILE 37 far 15 99 15 - 3.8-10.9 HE21 GLN 127 - QD1 ILE 32 far 0 66 0 - 7.3-17.3 HE21 GLN 127 - QD1 ILE 37 far 0 93 0 - 8.4-18.7 HE21 GLN 101 - QD1 ILE 32 far 0 66 0 - 9.0-19.9 Violated in 1 structures by 0.02 A. Peak 10841 from aliabs.peaks (6.49, 0.77, 12.10 ppm; 4.63 A): 1 out of 4 assignments used, quality = 0.78: QD TYR 76 + QD1 ILE 37 OK 78 97 80 100 2.2-11.0 9019/1094=86, ~10823=40...(23) QE TYR 76 - QD1 ILE 37 poor 18 92 20 - 3.4-11.9 QD TYR 76 - QD1 ILE 32 far 0 71 0 - 6.6-14.6 QE TYR 76 - QD1 ILE 32 far 0 65 0 - 8.4-15.8 Violated in 17 structures by 1.04 A. Peak 10842 from aliabs.peaks (6.79, 1.97, 37.79 ppm; 6.77 A): 1 out of 2 assignments used, quality = 0.89: QE TYR 72 + HB ILE 37 OK 89 93 95 100 1.6-8.8 9021/2.1=98, ~9022=97...(21) HE21 GLN 68 - HB ILE 37 poor 7 68 30 33 5.6-15.3 ~9478=8, ~9478=8...(5) Violated in 8 structures by 0.37 A. Peak 10843 from aliabs.peaks (7.14, 1.97, 37.79 ppm; 6.16 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 72 + HB ILE 37 OK 100 100 100 100 2.1-7.4 9022/2.1=100...(43) HD2 HIS 67 - HB ILE 37 far 4 76 5 - 6.3-18.5 Violated in 7 structures by 0.17 A. Peak 10845 from aliabs.peaks (1.18, 4.54, 57.72 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 41 + HA SER 38 OK 100 100 100 100 3.5-5.0 10864=75, 9040/3.0=63...(17) HG3 LYS 39 - HA SER 38 far 9 92 10 - 5.4-6.8 QG2 THR 18 - HA SER 38 far 5 97 5 - 4.0-31.4 QG2 THR 25 - HA SER 38 far 0 100 0 - 8.6-22.6 QG2 VAL 77 - HA SER 38 far 0 97 0 - 9.2-12.8 Violated in 7 structures by 0.10 A. Peak 10846 from aliabs.peaks (0.94, 4.54, 57.72 ppm; 4.98 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 37 + HA SER 38 OK 100 100 100 100 4.0-5.7 6423/3.0=89...(38) QG1 VAL 20 - HA SER 38 far 3 57 5 - 4.1-27.9 QG1 VAL 126 - HA SER 38 far 0 87 0 - 9.1-15.0 QD1 LEU 48 - HA SER 38 far 0 60 0 - 9.6-13.7 Violated in 10 structures by 0.23 A. Peak 10847 from aliabs.peaks (3.81, 3.40, 59.63 ppm; 6.26 A): 1 out of 2 assignments used, quality = 0.73: HA GLU 40 + HA LYS 39 OK 73 73 100 100 4.7-4.9 4.9=100 HB2 SER 130 - HA LYS 39 far 14 95 15 - 6.0-10.2 Violated in 0 structures by 0.00 A. Peak 10848 from aliabs.peaks (6.47, 1.76, 32.42 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: QE TYR 76 + HB2 LYS 39 OK 99 100 100 100 1.9-6.4 9036/3.0=72...(11) QD TYR 76 + HB2 LYS 39 OK 57 57 100 99 3.8-6.3 ~9037=48, ~9036=48...(16) QE TYR 76 - HB2 LYS 19 far 0 54 0 - 10.0-34.0 Violated in 2 structures by 0.04 A. Peak 10849 from aliabs.peaks (4.70, 2.08, 32.42 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 10850 from aliabs.peaks (6.47, 1.14, 24.15 ppm; 6.21 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HG2 LYS 39 OK 100 100 100 100 2.0-6.0 9036/4.0=84, 9037/2.9=80...(23) QD TYR 76 + HG2 LYS 39 OK 54 57 95 100 3.3-7.9 ~9037=60, ~9037=44...(21) Violated in 0 structures by 0.00 A. Peak 10851 from aliabs.peaks (6.48, 1.68, 29.61 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 76 + HD2 LYS 39 OK 100 100 100 100 4.1-7.1 9037/3.6=77...(13) QD TYR 76 + HD2 LYS 39 OK 42 68 65 95 5.0-8.9 ~10850=39, 2.2/11163=36...(8) Violated in 1 structures by 0.01 A. Peak 10853 from aliabs.peaks (3.83, 2.02, 28.21 ppm; 4.03 A): 2 out of 11 assignments used, quality = 1.00: * HA GLU 40 + HB3 GLU 40 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 40 + HB2 GLU 44 OK 55 99 65 87 4.5-8.1 6514/6526=51...(8) HD2 PRO 81 - HG2 ARG 90 far 0 59 0 - 7.0-12.3 HB2 SER 9 - HB3 GLU 40 far 0 87 0 - 7.2-51.2 HB2 SER 130 - HB2 GLU 44 far 0 94 0 - 8.0-9.1 HB3 SER 33 - HB3 GLU 40 far 0 99 0 - 8.4-18.7 HB2 SER 9 - HB2 GLU 44 far 0 83 0 - 8.4-46.5 HB3 SER 33 - HB2 GLU 44 far 0 97 0 - 9.3-16.6 HD2 PRO 81 - HB3 GLU 40 far 0 78 0 - 9.6-15.3 HB2 SER 130 - HB3 GLU 40 far 0 97 0 - 10.0-12.9 HB2 SER 50 - HB2 GLU 44 far 0 97 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 10854 from aliabs.peaks (0.73, 2.39, 35.43 ppm; 4.50 A): 3 out of 5 assignments used, quality = 0.87: QD2 LEU 96 + HG3 GLU 97 OK 60 60 100 100 1.8-5.7 11809/3.8=43...(30) QG1 VAL 93 + HG3 GLU 97 OK 55 58 95 99 2.3-7.0 9972=60, 11850/1.8=39...(20) QD2 LEU 43 + HG3 GLU 40 OK 31 90 40 84 5.6-8.3 11897/3.9=55, ~9126=12...(13) QD2 LEU 103 - HG3 GLU 97 far 0 82 0 - 7.6-11.5 HG12 ILE 129 - HG3 GLU 97 far 0 66 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 10855 from aliabs.peaks (1.16, 2.39, 35.43 ppm; 4.88 A): 3 out of 7 assignments used, quality = 0.98: QB ALA 41 + HG3 GLU 40 OK 80 81 100 100 3.0-5.4 3.0/1274=64, ~6470=42...(21) HG3 LYS 39 + HG3 GLU 40 OK 72 99 100 72 2.8-5.8 9056/1269=26...(8) HG2 LYS 39 + HG3 GLU 40 OK 55 83 85 79 2.5-7.2 ~9059=26, 6452/1268=22...(10) QG2 THR 25 - HG3 GLU 40 far 4 78 5 - 5.4-24.2 QG2 THR 18 - HG3 GLU 40 far 0 97 0 - 7.7-33.7 QG2 THR 25 - HG3 GLU 97 far 0 58 0 - 8.8-22.3 HG12 ILE 32 - HG3 GLU 40 far 0 100 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 10856 from aliabs.peaks (1.89, 1.18, 17.90 ppm; 4.92 A): 2 out of 4 assignments used, quality = 0.99: HB2 GLU 40 + QB ALA 41 OK 96 96 100 100 3.9-4.9 6470/3.0=78, 9054=54...(20) HB3 LYS 36 + QB ALA 41 OK 73 100 80 91 1.9-7.3 6405/10904=65, ~10865=38...(8) HB3 LEU 48 - QB ALA 41 far 0 99 0 - 6.8-10.6 HB3 LEU 49 - QB ALA 41 far 0 63 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 10857 from aliabs.peaks (2.03, 1.18, 17.90 ppm; 3.79 A): 2 out of 8 assignments used, quality = 1.00: HB2 GLU 44 + QB ALA 41 OK 100 100 100 100 3.8-4.3 1401/2.1=68, ~1409=47...(22) HB3 GLU 40 + QB ALA 41 OK 44 99 45 99 3.7-5.5 ~6470=34, ~1253=31...(20) HB VAL 20 - QB ALA 41 far 0 63 0 - 5.7-23.7 HG3 PRO 81 - QB ALA 41 far 0 81 0 - 8.9-14.0 HB2 PRO 81 - QB ALA 41 far 0 55 0 - 9.3-14.0 HB ILE 129 - QB ALA 41 far 0 68 0 - 9.4-11.3 HB2 GLN 134 - QB ALA 41 far 0 99 0 - 9.5-12.1 HB3 GLU 30 - QB ALA 41 far 0 87 0 - 9.6-17.0 Violated in 14 structures by 0.10 A. Peak 10858 from aliabs.peaks (3.48, 3.91, 54.50 ppm; 5.94 A): 1 out of 1 assignment used, quality = 0.98: HA LEU 42 + HA ALA 41 OK 98 98 100 100 4.8-4.9 4.9=100 Violated in 0 structures by 0.00 A. Peak 10859 from aliabs.peaks (2.46, 1.18, 17.90 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.81: HG3 GLU 44 + QB ALA 41 OK 81 81 100 100 3.2-5.8 1.8/10949=96...(20) Violated in 0 structures by 0.00 A. Peak 10860 from aliabs.peaks (2.29, 1.18, 17.90 ppm; 5.29 A): 2 out of 5 assignments used, quality = 1.00: HG2 GLU 40 + QB ALA 41 OK 100 100 100 100 2.8-6.2 1267/3.0=65, ~1274=55...(19) HG2 GLU 44 + QB ALA 41 OK 65 65 100 100 4.3-6.6 1.8/9141=74, ~9064=66...(20) HG3 GLU 30 - QB ALA 41 far 0 85 0 - 8.1-16.3 HG2 GLU 30 - QB ALA 41 far 0 89 0 - 9.0-16.8 HB2 PRO 81 - QB ALA 41 far 0 28 0 - 9.3-14.0 Violated in 2 structures by 0.01 A. Peak 10861 from aliabs.peaks (4.04, 3.91, 54.50 ppm; 4.94 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 44 + HA ALA 41 OK 100 100 100 100 5.0-5.6 3.0/1409=86, 3.0/1401=85...(17) HA ILE 37 + HA ALA 41 OK 50 90 55 100 4.3-7.5 10905/2.1=68, ~10819=58...(12) Violated in 12 structures by 0.07 A. Peak 10862 from aliabs.peaks (4.00, 1.18, 17.90 ppm; 3.64 A): 2 out of 4 assignments used, quality = 0.99: HB2 SER 38 + QB ALA 41 OK 96 100 100 96 2.6-4.9 1.8/9042=51...(11) HA ILE 37 + QB ALA 41 OK 84 85 100 99 1.8-4.4 3.2/10819=58...(15) HA GLN 68 - QB ALA 41 far 0 100 0 - 7.3-10.4 HA VAL 20 - QB ALA 41 far 0 97 0 - 8.2-24.5 Violated in 1 structures by 0.00 A. Peak 10863 from aliabs.peaks (3.37, 1.18, 17.90 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.68: HB3 TYR 72 + QB ALA 41 OK 68 68 100 99 4.5-6.7 2.7/9062=87...(7) Violated in 15 structures by 0.55 A. Peak 10864 from aliabs.peaks (4.53, 1.18, 17.90 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.96: HA SER 38 + QB ALA 41 OK 95 96 100 99 3.5-5.0 10845=73, 3.0/9040=53...(17) HA ASP 35 + QB ALA 41 OK 23 71 45 72 1.9-7.6 10795/9043=16...(13) HA TYR 72 - QB ALA 41 far 0 97 0 - 5.5-8.3 Violated in 11 structures by 0.18 A. Peak 10865 from aliabs.peaks (4.30, 3.91, 54.50 ppm; 5.73 A): 1 out of 8 assignments used, quality = 0.33: HA LYS 36 + HA ALA 41 OK 33 85 70 55 3.2-10.9 ~10856=26, ~10931=22...(6) HA THR 25 - HA ALA 41 far 14 95 15 - 3.2-27.1 HA LYS 24 - HA ALA 41 far 7 68 10 - 4.7-29.5 HA ARG 23 - HA ALA 41 far 4 71 5 - 7.1-28.4 HA ALA 16 - HA ALA 41 far 3 65 5 - 6.9-33.8 HA ALA 15 - HA ALA 41 far 0 73 0 - 7.9-34.8 HA THR 18 - HA ALA 41 far 0 78 0 - 8.5-35.1 HA ALA 21 - HA ALA 41 far 0 99 0 - 8.9-31.7 Violated in 10 structures by 1.60 A. Peak 10866 from aliabs.peaks (6.80, 3.91, 54.50 ppm; 6.58 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 72 + HA ALA 41 OK 100 100 100 100 5.6-8.0 9063/2.1=100, ~9062=91...(9) HE21 GLN 68 - HA ALA 41 far 5 90 5 - 7.6-13.0 Violated in 15 structures by 0.43 A. Peak 10867 from aliabs.peaks (8.29, 3.91, 54.50 ppm; 5.10 A): 2 out of 7 assignments used, quality = 1.00: H GLU 40 + HA ALA 41 OK 98 99 100 99 5.2-5.6 6463/2.9=88, 6491/3.6=34...(9) H LEU 43 + HA ALA 41 OK 98 99 100 99 4.1-4.9 3.9/6515=72, 6496/2.9=58...(11) H GLU 30 - HA ALA 41 far 0 65 0 - 7.4-19.4 H LEU 49 - HA ALA 41 far 0 99 0 - 8.7-11.0 H ALA 21 - HA ALA 41 far 0 87 0 - 9.1-31.8 H LEU 69 - HA ALA 41 far 0 100 0 - 9.2-12.4 H TYR 72 - HA ALA 41 far 0 65 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 10868 from aliabs.peaks (7.13, 1.49, 28.46 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 72 + HG LEU 42 OK 99 99 100 100 2.6-5.7 9108/2.1=93, 9111/2.1=88...(33) Violated in 1 structures by 0.00 A. Peak 10869 from aliabs.peaks (3.38, 1.49, 28.46 ppm; 5.10 A): 1 out of 1 assignment used, quality = 0.93: HA LYS 39 + HG LEU 42 OK 93 93 100 100 3.2-6.3 10870/2.1=84...(11) Violated in 14 structures by 0.39 A. Peak 10870 from aliabs.peaks (3.40, 0.56, 24.08 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 39 + QD2 LEU 42 OK 99 100 100 99 1.9-5.0 10578/10585=51...(15) Violated in 5 structures by 0.10 A. Peak 10871 from aliabs.peaks (2.07, 0.56, 24.08 ppm; 4.36 A): 2 out of 10 assignments used, quality = 0.89: HB3 LYS 39 + QD2 LEU 42 OK 83 99 85 99 3.6-6.4 3.0/10870=66, ~10869=33...(18) HG3 GLN 134 + QD2 LEU 42 OK 33 99 35 95 4.1-7.9 10601/9129=50...(16) HG3 PRO 81 - QD2 LEU 42 far 8 81 10 - 5.4-9.7 HB3 GLU 44 - QD2 LEU 42 far 0 100 0 - 5.9-8.9 HB2 PRO 81 - QD2 LEU 42 far 0 84 0 - 6.5-10.4 HB2 GLN 127 - QD2 LEU 42 far 0 78 0 - 7.0-11.1 HB2 GLU 128 - QD2 LEU 42 far 0 97 0 - 7.4-10.7 HB3 GLN 27 - QD2 LEU 42 far 0 99 0 - 7.6-19.9 HG3 GLU 91 - QD2 LEU 42 far 0 81 0 - 9.3-13.8 HB3 GLN 82 - QD2 LEU 42 far 0 85 0 - 9.4-13.4 Violated in 18 structures by 0.53 A. Peak 10872 from aliabs.peaks (1.16, 0.63, 27.44 ppm; 4.26 A): 2 out of 9 assignments used, quality = 0.83: QB ALA 41 + QD1 LEU 42 OK 78 85 95 97 2.5-5.8 10910/10821=61...(13) HG3 LYS 39 + QD1 LEU 42 OK 21 100 25 84 4.3-7.7 10567/11676=42...(10) HG2 LYS 39 - QD1 LEU 42 poor 20 78 25 - 4.4-8.1 QG2 VAL 132 - QD1 LEU 42 poor 19 89 25 85 5.2-7.6 10873/2.1=38...(15) QG2 VAL 77 - QD1 LEU 42 poor 18 60 30 - 5.3-8.0 QG2 THR 18 - QD1 LEU 42 far 0 99 0 - 6.2-25.5 QG2 THR 25 - QD1 LEU 42 far 0 83 0 - 7.2-20.4 QG1 VAL 132 - QD1 LEU 42 far 0 60 0 - 7.2-8.6 HG12 ILE 32 - QD1 LEU 42 far 0 100 0 - 7.8-14.8 Violated in 14 structures by 0.40 A. Peak 10873 from aliabs.peaks (1.16, 0.56, 24.08 ppm; 3.59 A): 3 out of 8 assignments used, quality = 0.71: QG2 VAL 132 + QD2 LEU 42 OK 44 81 65 84 4.0-6.2 4.4/11894=27...(20) HG2 LYS 39 + QD2 LEU 42 OK 30 68 55 79 3.7-7.9 4.0/10870=36...(13) HG3 LYS 39 + QD2 LEU 42 OK 26 100 30 88 3.5-7.2 10567/10587=36...(12) QB ALA 41 - QD2 LEU 42 far 9 92 10 - 4.8-5.7 QG2 VAL 77 - QD2 LEU 42 far 0 71 0 - 5.2-7.8 QG2 THR 25 - QD2 LEU 42 far 0 90 0 - 7.7-20.8 QG2 THR 18 - QD2 LEU 42 far 0 100 0 - 8.0-26.9 HG12 ILE 32 - QD2 LEU 42 far 0 99 0 - 8.6-15.9 Violated in 17 structures by 0.54 A. Peak 10874 from aliabs.peaks (3.01, 0.63, 27.44 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.99: HB2 TYR 72 + QD1 LEU 42 OK 99 99 100 100 1.9-4.3 1.8/9091=84...(28) HB2 HIS 3 - QD1 LEU 42 far 0 90 0 - 9.9-53.0 Violated in 0 structures by 0.00 A. Peak 10875 from aliabs.peaks (3.01, 0.56, 24.08 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.94: HB2 TYR 72 + QD2 LEU 42 OK 94 99 95 100 2.7-6.2 10874/2.1=79...(26) Violated in 12 structures by 0.37 A. Peak 10876 from aliabs.peaks (3.90, 0.56, 24.08 ppm; 4.28 A): 0 out of 10 assignments used, quality = 0.00: HA LEU 70 - QD2 LEU 42 poor 19 85 25 89 5.1-9.1 4.9/9100=41...(11) HA ALA 46 - QD2 LEU 42 far 15 99 15 - 4.2-7.9 HA ALA 41 - QD2 LEU 42 far 9 93 10 - 5.5-7.1 HA LYS 86 - QD2 LEU 42 far 0 95 0 - 7.0-9.5 HA3 GLY 75 - QD2 LEU 42 far 0 99 0 - 7.1-9.9 HB3 SER 50 - QD2 LEU 42 far 0 81 0 - 7.6-11.7 HB2 SER 33 - QD2 LEU 42 far 0 99 0 - 8.7-14.3 HA2 GLY 2 - QD2 LEU 42 far 0 100 0 - 9.3-56.9 HA3 GLY 2 - QD2 LEU 42 far 0 100 0 - 9.6-57.4 HB2 SER 94 - QD2 LEU 42 far 0 100 0 - 9.8-13.8 Violated in 19 structures by 0.82 A. Peak 10877 from aliabs.peaks (4.04, 0.56, 24.08 ppm; 5.18 A): 3 out of 9 assignments used, quality = 0.85: HA ILE 37 + QD2 LEU 42 OK 59 92 65 98 4.3-8.8 ~10821=57, ~10909=52...(12) HD3 PRO 81 + QD2 LEU 42 OK 53 100 75 71 4.3-8.1 2.3/9086=46...(5) HA GLU 44 + QD2 LEU 42 OK 21 99 25 83 6.0-8.6 4.9/10883=51...(6) HB3 SER 74 - QD2 LEU 42 far 0 73 0 - 7.1-10.0 HB2 SER 74 - QD2 LEU 42 far 0 83 0 - 7.1-10.8 HA ALA 92 - QD2 LEU 42 far 0 85 0 - 8.3-12.1 HA LEU 96 - QD2 LEU 42 far 0 87 0 - 8.5-12.7 HA ARG 135 - QD2 LEU 42 far 0 87 0 - 8.5-10.4 HA LEU 122 - QD2 LEU 42 far 0 100 0 - 9.4-13.8 Violated in 7 structures by 0.12 A. Peak 10878 from aliabs.peaks (4.27, 0.56, 24.08 ppm; 5.24 A): 0 out of 6 assignments used, quality = 0.00: HA SER 74 - QD2 LEU 42 poor 18 89 20 - 6.3-9.3 HA LYS 36 - QD2 LEU 42 far 9 95 10 - 6.4-11.2 HA THR 18 - QD2 LEU 42 far 0 97 0 - 8.2-30.0 HA GLN 27 - QD2 LEU 42 far 0 73 0 - 8.4-19.3 HA SER 124 - QD2 LEU 42 far 0 63 0 - 9.5-13.3 HA THR 25 - QD2 LEU 42 far 0 85 0 - 9.6-22.9 Violated in 20 structures by 1.45 A. Peak 10879 from aliabs.peaks (4.53, 0.56, 24.08 ppm; 6.59 A): 2 out of 3 assignments used, quality = 0.99: HA TYR 72 + QD2 LEU 42 OK 96 96 100 100 4.4-6.7 3.0/10875=97...(32) HA SER 38 + QD2 LEU 42 OK 73 95 100 77 4.4-7.7 9115/2.1=38...(7) HA ASP 35 - QD2 LEU 42 far 11 73 15 - 7.6-11.1 Violated in 0 structures by 0.00 A. Peak 10880 from aliabs.peaks (4.29, 0.63, 27.44 ppm; 4.77 A): 1 out of 9 assignments used, quality = 0.89: HA TYR 76 + QD1 LEU 42 OK 89 89 100 100 4.0-6.2 9615=82, 3.0/9609=70...(23) HA SER 74 - QD1 LEU 42 poor 17 100 35 48 5.8-9.4 9588/9094=17...(8) HA THR 18 - QD1 LEU 42 far 5 98 5 - 5.9-28.3 HA ASP 131 - QD1 LEU 42 far 4 87 5 - 6.0-9.7 HA LYS 36 - QD1 LEU 42 lone 2 99 40 5 4.2-11.0 11763/10872=4 HA THR 25 - QD1 LEU 42 far 0 100 0 - 8.9-22.3 HA ALA 21 - QD1 LEU 42 far 0 100 0 - 9.2-25.1 HA LYS 19 - QD1 LEU 42 far 0 85 0 - 9.5-29.0 HA ALA 16 - QD1 LEU 42 far 0 93 0 - 9.9-29.0 Violated in 10 structures by 0.41 A. Peak 10881 from aliabs.peaks (2.09, 3.78, 57.62 ppm; 5.25 A): 2 out of 5 assignments used, quality = 0.98: HB3 GLU 44 + HA LEU 43 OK 88 89 100 99 5.6-6.6 6527/3.6=79, ~9140=42...(15) HG3 GLN 134 + HA LEU 43 OK 80 95 85 99 4.1-7.7 11685/3.9=68...(13) HB3 LYS 39 - HA LEU 43 far 5 97 5 - 6.5-9.2 HB3 GLN 27 - HA LEU 43 far 3 68 5 - 6.3-25.4 HB VAL 126 - HA LEU 43 far 0 85 0 - 7.2-11.3 Violated in 8 structures by 0.19 A. Peak 10882 from aliabs.peaks (1.20, 3.78, 57.62 ppm; 4.40 A): 0 out of 5 assignments used, quality = 0.00: QB ALA 41 - HA LEU 43 far 0 78 0 - 6.5-6.7 QG2 THR 25 - HA LEU 43 far 0 81 0 - 6.6-24.1 QG2 THR 65 - HA LEU 43 far 0 63 0 - 8.0-9.8 QG2 VAL 77 - HA LEU 43 far 0 96 0 - 9.8-12.6 HG12 ILE 80 - HA LEU 43 far 0 95 0 - 9.8-15.4 Violated in 20 structures by 1.87 A. Peak 10883 from aliabs.peaks (0.57, 3.78, 57.62 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 42 + HA LEU 43 OK 95 95 100 100 2.2-5.6 6504/2.8=67, 9085/3.7=61...(23) Violated in 6 structures by 0.11 A. Peak 10884 from aliabs.peaks (1.02, 3.78, 57.62 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.96: QG2 VAL 133 + HA LEU 43 OK 86 87 100 100 3.0-6.1 11072/1345=64...(19) QD1 LEU 69 + HA LEU 43 OK 71 90 85 92 3.8-8.6 11063/1348=57...(11) Violated in 2 structures by 0.01 A. Peak 10885 from aliabs.peaks (8.50, 2.48, 34.64 ppm; 5.30 A): 1 out of 3 assignments used, quality = 0.47: H ALA 46 + HG3 GLU 44 OK 47 63 75 99 4.7-7.6 6531/1424=52, ~1423=52...(9) H LEU 100 - HG3 GLN 104 far 6 63 10 - 6.2-10.9 H GLU 97 - HG3 GLN 104 far 0 75 0 - 8.4-14.3 Violated in 13 structures by 0.87 A. Peak 10886 from aliabs.peaks (1.71, 4.11, 62.25 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 48 + HA CYS 45 OK 100 100 100 100 3.3-4.9 3.0/1438=75, 3.0/1437=74...(14) HB2 LEU 43 - HA CYS 45 far 0 99 0 - 7.7-8.5 HB2 LEU 70 - HA CYS 45 far 0 100 0 - 9.9-13.0 Violated in 2 structures by 0.01 A. Peak 10887 from aliabs.peaks (0.90, 2.93, 26.00 ppm; 4.73 A): 3 out of 8 assignments used, quality = 0.84: QD2 LEU 48 + HB2 CYS 45 OK 55 100 55 100 3.6-7.2 ~10893=47, ~10886=42...(34) QD1 LEU 48 + HB2 CYS 45 OK 53 97 55 100 3.8-6.5 ~10893=47, ~10886=42...(34) QD1 LEU 49 + HB2 CYS 45 OK 22 93 30 79 5.3-8.3 ~1573=19, 10966/10889=18...(13) QD2 LEU 123 - HB2 CYS 45 far 0 90 0 - 6.8-12.3 QG2 VAL 20 - HB2 CYS 45 far 0 100 0 - 8.1-23.7 QG1 VAL 20 - HB2 CYS 45 far 0 97 0 - 8.2-22.8 QD1 LEU 123 - HB2 CYS 45 far 0 65 0 - 8.3-12.7 QD1 LEU 62 - HB2 CYS 45 far 0 92 0 - 9.8-13.5 Violated in 1 structures by 0.00 A. Peak 10888 from aliabs.peaks (0.90, 3.12, 26.00 ppm; 4.84 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 48 + HB3 CYS 45 OK 94 99 95 100 3.4-6.4 2.1/10893=64, ~10886=44...(37) QD2 LEU 48 + HB3 CYS 45 OK 89 99 90 100 3.2-6.6 2.1/10893=64, ~10886=44...(36) QD1 LEU 49 + HB3 CYS 45 OK 42 97 50 86 5.4-7.1 10966/10891=36...(13) QD2 LEU 123 - HB3 CYS 45 far 4 85 5 - 5.9-11.1 QG2 VAL 20 - HB3 CYS 45 far 0 99 0 - 6.9-22.6 QD1 LEU 123 - HB3 CYS 45 far 0 73 0 - 7.2-11.5 QG1 VAL 20 - HB3 CYS 45 far 0 99 0 - 7.4-22.6 QD1 LEU 62 - HB3 CYS 45 far 0 96 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 10889 from aliabs.peaks (1.20, 2.93, 26.00 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.88: QB ALA 41 + HB2 CYS 45 OK 71 78 100 91 3.8-5.9 9526/9143=56...(5) QG2 THR 65 + HB2 CYS 45 OK 58 63 95 98 4.4-7.1 11047/11062=73...(8) QG2 THR 25 - HB2 CYS 45 far 4 81 5 - 5.3-21.4 Violated in 0 structures by 0.00 A. Peak 10890 from aliabs.peaks (1.32, 2.93, 26.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.87: QB ALA 46 + HB2 CYS 45 OK 87 87 100 100 3.8-5.4 4.5=100 QB ALA 21 - HB2 CYS 45 far 7 71 10 - 6.2-24.7 Violated in 0 structures by 0.00 A. Peak 10891 from aliabs.peaks (1.22, 3.12, 26.00 ppm; 6.43 A): 1 out of 1 assignment used, quality = 0.98: QG2 THR 65 + HB3 CYS 45 OK 98 98 100 100 3.7-7.1 9155/3.0=97...(14) Violated in 4 structures by 0.09 A. Peak 10892 from aliabs.peaks (1.34, 3.12, 26.00 ppm; 5.98 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 46 + HB3 CYS 45 OK 100 100 100 100 3.6-5.4 4.5=100 QB ALA 21 - HB3 CYS 45 far 5 100 5 - 5.4-24.5 QB ALA 12 - HB3 CYS 45 far 0 87 0 - 9.5-28.2 Violated in 0 structures by 0.00 A. Peak 10893 from aliabs.peaks (1.70, 3.12, 26.00 ppm; 5.35 A): 1 out of 4 assignments used, quality = 0.82: HG LEU 48 + HB3 CYS 45 OK 82 87 95 100 5.2-7.1 10886/3.0=64, ~1438=49...(29) HB2 LEU 43 - HB3 CYS 45 far 0 99 0 - 7.5-9.4 HB2 LEU 70 - HB3 CYS 45 far 0 97 0 - 7.7-11.6 HB3 LEU 70 - HB3 CYS 45 far 0 85 0 - 8.0-11.4 Violated in 17 structures by 0.75 A. Peak 10894 from aliabs.peaks (1.92, 3.12, 26.00 ppm; 6.03 A): 2 out of 5 assignments used, quality = 0.85: HB3 LEU 48 + HB3 CYS 45 OK 63 78 80 100 4.7-7.8 3.0/10893=83, ~1437=76...(29) HB3 LEU 49 + HB3 CYS 45 OK 59 100 60 98 6.1-8.6 11049/11061=62...(16) HB2 GLU 30 - HB3 CYS 45 far 0 76 0 - 8.0-18.5 HG LEU 53 - HB3 CYS 45 far 0 83 0 - 8.5-14.2 HB2 GLU 40 - HB3 CYS 45 far 0 89 0 - 9.3-11.4 Violated in 14 structures by 0.36 A. Peak 10895 from aliabs.peaks (3.88, 3.12, 26.00 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.97: HA ALA 46 + HB3 CYS 45 OK 96 96 100 100 3.8-5.7 ~6555=90, ~9192=76...(12) HA LEU 70 + HB3 CYS 45 OK 28 100 45 61 7.0-10.9 11057/11061=43...(5) HB3 SER 50 - HB3 CYS 45 far 5 100 5 - 7.9-10.4 HA LEU 123 - HB3 CYS 45 far 3 60 5 - 7.7-12.4 HB2 SER 33 - HB3 CYS 45 far 0 65 0 - 8.3-15.2 Violated in 0 structures by 0.00 A. Peak 10896 from aliabs.peaks (6.80, 4.11, 62.25 ppm; 6.49 A): 2 out of 3 assignments used, quality = 1.00: QE TYR 72 + HA CYS 45 OK 100 100 100 100 4.3-7.4 9547/3.0=95, 9142/2.8=94...(18) HE21 GLN 68 + HA CYS 45 OK 49 95 85 61 4.4-11.2 6899/9153=29...(6) HE21 GLN 127 - HA CYS 45 lone 3 85 30 11 6.4-12.6 10430/1565=7, 11081/11056=1 Violated in 1 structures by 0.04 A. Peak 10897 from aliabs.peaks (7.15, 4.11, 62.25 ppm; 6.25 A): 1 out of 1 assignment used, quality = 0.90: QD TYR 72 + HA CYS 45 OK 90 95 95 100 5.1-7.8 9143/3.0=91, 9145/3.0=71...(21) Violated in 9 structures by 0.24 A. Peak 10898 from aliabs.peaks (0.77, 3.89, 55.30 ppm; 4.39 A): 1 out of 12 assignments used, quality = 0.67: QD2 LEU 49 + HA ALA 46 OK 67 68 100 98 1.7-2.4 9176/2.1=48...(26) QD1 LEU 53 - HA ALA 46 poor 20 78 25 - 5.1-8.5 QD1 LEU 96 - HA ALA 46 far 10 100 10 - 5.8-9.1 QD2 LEU 122 - HA ALA 46 far 9 92 10 - 5.5-9.6 QD2 LEU 43 - HA ALA 46 far 7 65 10 - 5.4-7.4 QD1 ILE 32 - HA ALA 46 far 5 100 5 - 5.3-11.6 QD2 LEU 96 - HA ALA 46 far 4 78 5 - 5.4-10.8 QD1 ILE 37 - HA ALA 46 far 0 100 0 - 6.0-11.7 HG12 ILE 129 - HA ALA 46 far 0 71 0 - 8.3-10.8 QG1 VAL 93 - HA ALA 46 far 0 81 0 - 8.5-11.1 QD2 LEU 119 - HA ALA 46 far 0 87 0 - 8.5-15.8 QG1 VAL 63 - HA ALA 46 far 0 97 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 10899 from aliabs.peaks (1.48, 3.89, 55.30 ppm; 4.61 A): 2 out of 5 assignments used, quality = 0.92: HB2 LEU 49 + HA ALA 46 OK 88 90 100 98 3.8-4.8 3.2/10898=66, 1546=37...(20) HG LEU 42 + HA ALA 46 OK 34 99 35 97 5.6-8.3 ~9177=64, ~9177=61...(8) QB ALA 52 - HA ALA 46 far 0 100 0 - 7.0-7.8 HG3 LYS 36 - HA ALA 46 far 0 78 0 - 8.0-16.1 HG2 LYS 31 - HA ALA 46 far 0 73 0 - 9.7-20.2 Violated in 1 structures by 0.00 A. Peak 10900 from aliabs.peaks (0.84, 1.34, 16.76 ppm; 3.07 A): 3 out of 9 assignments used, quality = 0.84: QD2 LEU 69 + QB ALA 46 OK 67 68 100 98 1.8-4.2 2.1/11046=51, 11045=29...(20) QG1 VAL 133 + QB ALA 46 OK 35 100 40 87 3.6-6.2 11777/9176=45...(12) QG2 ILE 129 + QB ALA 46 OK 27 90 35 87 3.3-5.7 11245=49, 3.0/11711=36...(11) QD2 LEU 70 - QB ALA 46 far 9 89 10 - 4.4-9.4 QD1 LEU 70 - QB ALA 46 far 0 63 0 - 5.3-8.6 QG2 ILE 32 - QB ALA 46 far 0 100 0 - 6.7-9.9 QG2 ILE 80 - QB ALA 46 far 0 71 0 - 7.1-11.9 HG13 ILE 80 - QB ALA 46 far 0 63 0 - 8.5-14.0 QG2 VAL 57 - QB ALA 46 far 0 89 0 - 9.1-10.5 Violated in 2 structures by 0.04 A. Peak 10901 from aliabs.peaks (4.33, 1.34, 16.76 ppm; 4.19 A): 2 out of 6 assignments used, quality = 1.00: HA ASP 47 + QB ALA 46 OK 99 100 100 99 3.8-4.0 2.9/6568=74...(18) HA LEU 69 + QB ALA 46 OK 80 95 85 99 3.8-6.1 2208/11063=58...(16) HA ASP 131 - QB ALA 46 poor 16 65 25 - 5.4-6.7 HA CYS 125 - QB ALA 46 far 0 81 0 - 7.0-8.7 HA GLN 134 - QB ALA 46 far 0 87 0 - 7.4-9.7 HA TYR 76 - QB ALA 46 far 0 63 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 10902 from aliabs.peaks (4.32, 3.89, 55.30 ppm; 6.16 A): 2 out of 3 assignments used, quality = 0.98: HA ASP 47 + HA ALA 46 OK 93 93 100 100 4.7-4.8 ~6568=84, ~1462=83...(18) HA LEU 69 + HA ALA 46 OK 71 71 100 100 4.6-7.5 3.9/9174=80, ~9183=73...(13) HA ASP 131 - HA ALA 46 far 0 92 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 10903 from aliabs.peaks (1.34, 2.83, 39.77 ppm; 5.79 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 46 + HB3 ASP 47 OK 100 100 100 100 4.0-5.0 6568/6571=96...(8) HG2 LYS 19 - HB3 ASP 47 far 3 60 5 - 6.9-39.6 QB ALA 12 - HB3 ASP 47 far 0 87 0 - 8.9-32.9 QB ALA 21 - HB3 ASP 47 far 0 100 0 - 9.6-29.8 Violated in 0 structures by 0.00 A. Peak 10904 from aliabs.peaks (0.92, 2.83, 39.77 ppm; 5.05 A): 3 out of 7 assignments used, quality = 0.97: QD1 LEU 48 + HB3 ASP 47 OK 84 96 100 88 3.4-6.2 4.8/6582=63...(6) QD1 LEU 49 + HB3 ASP 47 OK 60 98 90 68 5.8-7.3 10956/1.8=25...(6) QD2 LEU 48 + HB3 ASP 47 OK 47 68 85 81 3.5-7.1 5.0/6582=60, ~10956=25...(6) QG1 VAL 20 - HB3 ASP 47 far 5 95 5 - 6.5-27.4 QD1 LEU 123 - HB3 ASP 47 far 0 100 0 - 7.4-10.4 QG2 VAL 20 - HB3 ASP 47 far 0 63 0 - 8.1-28.0 QG2 ILE 37 - HB3 ASP 47 far 0 95 0 - 8.5-13.5 Violated in 0 structures by 0.00 A. Peak 10905 from aliabs.peaks (2.02, 2.83, 39.77 ppm; 4.80 A): 1 out of 6 assignments used, quality = 1.00: HB2 GLU 44 + HB3 ASP 47 OK 100 100 100 100 5.0-6.0 3.0/1400=82...(9) HB2 GLN 127 - HB3 ASP 47 far 0 60 0 - 7.3-10.9 HB2 GLN 134 - HB3 ASP 47 far 0 100 0 - 8.3-12.1 HB3 GLU 40 - HB3 ASP 47 far 0 100 0 - 8.4-12.4 HB ILE 129 - HB3 ASP 47 far 0 89 0 - 9.6-12.5 HB3 LEU 53 - HB3 ASP 47 far 0 68 0 - 9.8-11.7 Violated in 20 structures by 0.74 A. Peak 10906 from aliabs.peaks (1.22, 0.90, 23.93 ppm; 3.51 A): 2 out of 5 assignments used, quality = 0.92: QG2 THR 65 + QD2 LEU 48 OK 84 100 85 99 2.0-5.4 9441/2.1=53...(26) QG2 THR 65 + QD1 LEU 48 OK 49 66 75 98 1.8-6.7 9441/2.1=53...(25) QG2 THR 54 - QD2 LEU 48 far 0 89 0 - 6.5-11.9 QG2 THR 54 - QD1 LEU 48 far 0 52 0 - 7.4-11.2 QG2 THR 65 - QD2 LEU 98 far 0 75 0 - 9.9-13.8 Violated in 5 structures by 0.35 A. Peak 10907 from aliabs.peaks (4.02, 1.89, 41.65 ppm; 4.10 A): 0 out of 4 assignments used, quality = 0.00: HA GLU 44 - HB3 LEU 48 far 12 78 15 - 4.7-7.9 HA VAL 20 - HB3 LEU 48 far 3 60 5 - 3.6-30.7 HA SER 50 - HB3 LEU 48 far 0 76 0 - 7.2-8.4 HA ILE 37 - HB3 LEU 48 far 0 100 0 - 8.5-15.6 Violated in 19 structures by 2.04 A. Peak 10908 from aliabs.peaks (0.87, 4.13, 54.29 ppm; 4.05 A): 1 out of 8 assignments used, quality = 0.97: QG2 VAL 57 + HA ALA 52 OK 97 97 100 100 2.9-4.6 9304=92, 9317/2.1=88...(17) QD2 LEU 48 - HA ALA 52 poor 17 63 45 59 4.7-8.9 ~9231=13, 9227/2.9=11...(13) QG2 VAL 20 - HA ALA 52 far 10 68 15 - 4.2-26.1 QD2 LEU 123 - HA ALA 52 far 0 92 0 - 5.7-7.6 QD2 LEU 22 - HA ALA 52 far 0 68 0 - 7.7-27.6 QD2 LEU 69 - HA ALA 52 far 0 100 0 - 8.5-12.8 QG1 VAL 118 - HA ALA 52 far 0 68 0 - 8.8-16.0 QD1 LEU 22 - HA ALA 52 far 0 83 0 - 9.3-28.2 Violated in 8 structures by 0.10 A. Peak 10909 from aliabs.peaks (2.44, 4.13, 54.29 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.97: HG2 GLU 55 + HA ALA 52 OK 97 98 100 99 2.0-4.8 3.0/11905=66...(13) Violated in 1 structures by 0.00 A. Peak 10910 from aliabs.peaks (3.65, 4.13, 54.29 ppm; 5.64 A): 2 out of 5 assignments used, quality = 0.89: HD2 PRO 56 + HA ALA 52 OK 85 96 90 99 5.4-7.9 4.8/11905=65...(8) HD3 PRO 56 + HA ALA 52 OK 30 100 30 99 6.4-9.0 4.8/11905=65...(8) HD2 PRO 58 - HA ALA 52 far 10 65 15 - 7.0-9.1 HA2 GLY 66 - HA ALA 52 far 0 89 0 - 9.4-13.4 HA3 GLY 66 - HA ALA 52 far 0 96 0 - 9.4-13.6 Violated in 16 structures by 0.54 A. Peak 10911 from aliabs.peaks (3.65, 1.48, 18.03 ppm; 5.01 A): 2 out of 5 assignments used, quality = 0.74: HD2 PRO 58 + QB ALA 52 OK 64 65 100 98 5.1-6.4 3.9/9312=81, 4.6/9317=74...(6) HD2 PRO 56 + QB ALA 52 OK 29 96 35 87 5.5-8.2 10910/2.1=47...(8) HA3 GLY 66 - QB ALA 52 far 10 96 10 - 6.0-9.5 HA2 GLY 66 - QB ALA 52 far 9 89 10 - 6.0-9.3 HD3 PRO 56 - QB ALA 52 far 0 100 0 - 6.5-9.0 Violated in 19 structures by 0.46 A. Peak 10912 from aliabs.peaks (2.43, 3.65, 49.73 ppm; 4.38 A): 2 out of 3 assignments used, quality = 0.98: HG2 GLU 55 + HD3 PRO 56 OK 92 92 100 100 3.7-5.7 9283=44, 6694/4.8=43...(34) HG2 GLU 55 + HD2 PRO 56 OK 78 78 100 100 3.0-4.9 9283=43, 6694/4.8=43...(34) HG3 GLN 61 - HD2 PRO 56 far 0 53 0 - 9.6-11.3 Violated in 3 structures by 0.04 A. Peak 10913 from aliabs.peaks (0.87, 3.65, 49.73 ppm; 5.21 A): 2 out of 10 assignments used, quality = 0.99: QG2 VAL 57 + HD3 PRO 56 OK 94 95 100 99 4.9-5.9 10919/3.6=69...(16) QG2 VAL 57 + HD2 PRO 56 OK 80 81 100 100 4.2-5.6 10919/3.6=69...(17) QG2 VAL 20 - HD3 PRO 56 far 4 76 5 - 5.0-32.3 QG2 VAL 20 - HD2 PRO 56 far 3 62 5 - 3.7-31.1 QD2 LEU 123 - HD3 PRO 56 far 0 96 0 - 7.1-11.7 QD2 LEU 123 - HD2 PRO 56 far 0 82 0 - 7.5-11.7 QD2 LEU 22 - HD2 PRO 56 far 0 48 0 - 8.0-32.5 QD2 LEU 22 - HD3 PRO 56 far 0 60 0 - 9.1-33.0 QD2 LEU 48 - HD2 PRO 56 far 0 57 0 - 9.2-14.6 QD1 LEU 22 - HD2 PRO 56 far 0 74 0 - 9.8-33.0 Violated in 0 structures by 0.00 A. Peak 10916 from aliabs.peaks (1.38, 4.67, 62.91 ppm; 5.00 A): 0 out of 7 assignments used, quality = 0.00: QB ALA 15 - HA PRO 56 far 10 100 10 - 4.0-38.1 QB ALA 110 - HA PRO 56 far 5 100 5 - 6.1-16.5 QB ALA 16 - HA PRO 56 far 0 93 0 - 6.8-35.1 HG2 LYS 19 - HA PRO 56 far 0 99 0 - 7.2-42.1 QB ALA 29 - HA PRO 56 far 0 100 0 - 9.0-20.5 QB ALA 109 - HA PRO 56 far 0 97 0 - 9.1-15.4 QB ALA 28 - HA PRO 56 far 0 99 0 - 9.8-23.1 Violated in 19 structures by 4.70 A. Peak 10917 from aliabs.peaks (0.94, 4.67, 62.91 ppm; 5.15 A): 2 out of 9 assignments used, quality = 1.00: QG1 VAL 57 + HA PRO 56 OK 100 100 100 100 4.1-4.9 10920=100, 2.1/10919=92...(12) QD1 LEU 119 + HA PRO 56 OK 26 100 90 29 3.3-11.6 6707/6697=20, 9292/3.6=4...(4) QD1 LEU 123 - HA PRO 56 far 14 92 15 - 6.1-11.5 QD2 LEU 53 - HA PRO 56 poor 14 68 20 - 5.3-10.1 QG2 VAL 112 - HA PRO 56 far 9 89 10 - 3.6-13.5 QG1 VAL 112 - HA PRO 56 far 7 71 10 - 4.2-11.5 QD1 LEU 62 - HA PRO 56 lone 4 65 40 15 4.9-9.4 1806/10919=14 QD1 LEU 49 - HA PRO 56 far 0 63 0 - 9.1-11.7 QG2 VAL 63 - HA PRO 56 far 0 57 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 10918 from aliabs.peaks (0.87, 4.67, 62.91 ppm; 5.26 A): 1 out of 6 assignments used, quality = 0.98: QG2 VAL 57 + HA PRO 56 OK 98 98 100 100 3.3-3.7 10919=96, 2.1/10920=94...(12) QD2 LEU 123 - HA PRO 56 far 5 90 5 - 6.0-11.0 QG2 VAL 20 - HA PRO 56 far 0 65 0 - 6.8-31.6 QD2 LEU 48 - HA PRO 56 far 0 60 0 - 8.9-14.8 QG1 VAL 118 - HA PRO 56 far 0 65 0 - 9.2-14.1 QD1 LEU 22 - HA PRO 56 far 0 81 0 - 9.6-31.2 Violated in 0 structures by 0.00 A. Peak 10919 from aliabs.peaks (4.68, 0.86, 19.34 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.99: HA PRO 56 + QG2 VAL 57 OK 99 100 100 99 3.3-3.7 6697/1802=73...(12) HA ASN 13 - QG2 VAL 57 far 0 68 0 - 7.4-32.8 Violated in 0 structures by 0.00 A. Peak 10920 from aliabs.peaks (4.67, 0.94, 21.27 ppm; 4.28 A): 1 out of 6 assignments used, quality = 0.99: HA PRO 56 + QG1 VAL 57 OK 99 100 100 99 4.1-4.9 10919/2.1=73...(12) HA ASN 13 - QG1 VAL 57 far 4 76 5 - 5.5-33.7 HA ASN 13 - QG1 VAL 105 far 0 43 0 - 6.4-41.2 HA HIS 10 - QG1 VAL 105 far 0 64 0 - 7.6-47.9 HA HIS 10 - QG1 VAL 57 far 0 99 0 - 9.4-39.8 HA HIS 8 - QG1 VAL 57 far 0 99 0 - 9.9-44.0 Violated in 19 structures by 0.38 A. Peak 10921 from aliabs.peaks (2.39, 4.59, 58.62 ppm; 5.31 A): 2 out of 3 assignments used, quality = 0.99: HG3 GLN 61 + HA VAL 57 OK 90 90 100 100 4.5-6.5 10936/3.2=75, ~10938=64...(25) HB3 PRO 58 + HA VAL 57 OK 87 87 100 100 4.8-5.5 10929/3.2=58, ~9309=52...(32) HG3 GLU 55 - HA VAL 57 far 13 87 15 - 4.7-8.5 Violated in 0 structures by 0.00 A. Peak 10922 from aliabs.peaks (0.68, 2.09, 32.84 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 62 + HB VAL 57 OK 100 100 100 100 4.6-6.2 9319/2.1=98...(11) QD2 LEU 100 - HB VAL 57 far 0 100 0 - 8.1-12.6 Violated in 19 structures by 0.70 A. Peak 10923 from aliabs.peaks (0.68, 0.94, 21.27 ppm; 3.43 A): 0 out of 4 assignments used, quality = 0.00: QD2 LEU 62 - QG1 VAL 57 far 5 99 5 - 4.9-6.5 QD2 LEU 100 - QG1 VAL 105 far 3 65 5 - 4.3-8.3 QD2 LEU 100 - QG1 VAL 57 far 0 99 0 - 8.1-12.0 QD2 LEU 62 - QG1 VAL 105 far 0 64 0 - 8.6-11.6 Violated in 20 structures by 1.81 A. Peak 10924 from aliabs.peaks (3.51, 0.86, 19.34 ppm; 4.63 A): 0 out of 0 assignments used, quality = 0.00: Peak 10925 from aliabs.peaks (1.38, 4.45, 62.57 ppm; 5.32 A): 1 out of 10 assignments used, quality = 0.33: QB ALA 109 + HA PRO 58 OK 33 99 35 95 3.4-14.4 9349/6709=76...(6) QB ALA 110 - HA PRO 58 poor 20 100 20 - 2.0-15.8 QB ALA 108 - HA PRO 58 far 15 100 15 - 6.0-15.2 QB ALA 16 - HA PRO 58 far 10 97 10 - 4.1-33.4 QB ALA 15 - HA PRO 58 far 5 100 5 - 6.5-37.3 HG2 LYS 19 - HA PRO 58 far 5 97 5 - 5.6-40.6 QB ALA 12 - HA PRO 58 far 4 78 5 - 6.7-37.5 QB ALA 29 - HA PRO 58 far 0 100 0 - 7.6-18.0 QB ALA 28 - HA PRO 58 far 0 100 0 - 8.4-22.1 HG3 LYS 26 - HA PRO 58 far 0 100 0 - 9.5-26.9 Violated in 16 structures by 3.31 A. Peak 10926 from aliabs.peaks (0.93, 4.45, 62.57 ppm; 4.69 A): 3 out of 7 assignments used, quality = 0.99: QG1 VAL 57 + HA PRO 58 OK 97 97 100 100 5.1-5.6 9309/3.6=74, 9308/3.6=73...(13) QD1 LEU 119 + HA PRO 58 OK 37 99 55 67 3.8-11.7 2.1/10927=48...(10) QD1 LEU 62 + HA PRO 58 OK 30 85 75 46 4.9-6.8 9385/3.6=17, 3.2/1836=15...(5) QG2 VAL 112 - HA PRO 58 poor 11 98 30 38 3.7-13.6 11496/10925=30, ~10929=4...(4) QG2 VAL 63 - HA PRO 58 far 4 78 5 - 6.2-7.7 QD1 LEU 123 - HA PRO 58 far 0 99 0 - 8.0-14.7 QG1 VAL 20 - HA PRO 58 far 0 73 0 - 8.9-32.1 Violated in 6 structures by 0.03 A. Peak 10927 from aliabs.peaks (0.81, 4.45, 62.57 ppm; 5.94 A): 1 out of 6 assignments used, quality = 0.34: QD2 LEU 119 + HA PRO 58 OK 34 78 85 51 3.1-12.8 2.1/10926=21, ~10973=14...(7) QD2 LEU 122 - HA PRO 58 far 0 71 0 - 8.3-13.1 QD1 LEU 122 - HA PRO 58 far 0 100 0 - 8.3-12.9 QG1 VAL 63 - HA PRO 58 far 0 60 0 - 8.4-9.3 QD1 LEU 53 - HA PRO 58 far 0 87 0 - 8.5-12.4 QD2 LEU 22 - HA PRO 58 far 0 57 0 - 8.8-29.6 Violated in 9 structures by 0.85 A. Peak 10929 from aliabs.peaks (0.95, 2.41, 32.16 ppm; 4.60 A): 1 out of 6 assignments used, quality = 0.98: QG1 VAL 57 + HB3 PRO 58 OK 98 98 100 100 5.2-6.1 9309/3.0=82, 9308/3.0=81...(28) QG2 VAL 112 - HB3 PRO 58 poor 19 63 30 - 4.2-15.4 QD1 LEU 119 - HB3 PRO 58 far 9 95 10 - 5.7-13.4 QG1 VAL 112 - HB3 PRO 58 poor 8 93 25 35 5.8-13.6 10135/10930=32, ~10926=3 QD2 LEU 53 - HB3 PRO 58 far 0 92 0 - 7.9-14.2 QD1 LEU 123 - HB3 PRO 58 far 0 68 0 - 9.4-16.1 Violated in 20 structures by 0.84 A. Peak 10930 from aliabs.peaks (1.38, 2.41, 32.16 ppm; 5.45 A): 1 out of 10 assignments used, quality = 0.33: QB ALA 109 + HB3 PRO 58 OK 33 99 35 93 2.9-16.1 10925/2.3=79...(5) QB ALA 108 - HB3 PRO 58 far 10 100 10 - 6.3-16.8 QB ALA 16 - HB3 PRO 58 far 10 97 10 - 3.7-33.1 HG2 LYS 19 - HB3 PRO 58 far 10 97 10 - 4.6-39.5 QB ALA 15 - HB3 PRO 58 far 5 100 5 - 6.8-36.9 QB ALA 12 - HB3 PRO 58 far 4 78 5 - 5.1-36.8 QB ALA 110 - HB3 PRO 58 lone 1 100 25 2 3.4-17.5 QB ALA 28 - HB3 PRO 58 far 0 100 0 - 7.1-23.3 QB ALA 29 - HB3 PRO 58 far 0 100 0 - 7.3-18.9 HG3 LYS 26 - HB3 PRO 58 far 0 100 0 - 7.4-27.4 Violated in 15 structures by 3.79 A. Peak 10931 from aliabs.peaks (2.03, 2.87, 38.13 ppm; 6.58 A): 4 out of 11 assignments used, quality = 0.99: HB VAL 63 + HB3 ASN 59 OK 94 95 100 100 2.9-6.2 ~10967=92, 2.1/10968=48...(14) HB2 LEU 62 + HB3 ASN 59 OK 76 76 100 100 4.4-6.5 ~10947=75, ~9388=74...(34) HG3 PRO 58 + HB3 ASN 59 OK 50 60 100 84 6.4-8.0 1880/3.0=42, ~11279=39...(5) HG2 PRO 58 + HB3 ASN 59 OK 24 99 25 98 6.9-8.4 1863/6718=87...(6) HB3 GLN 27 - HB3 ASN 59 far 6 60 10 - 5.8-21.9 HG3 PRO 113 - HB3 ASN 59 lone 1 76 35 4 2.9-14.6 HG3 PRO 117 - HB3 ASN 59 far 0 89 0 - 8.2-19.7 QE MET 11 - HB3 ASN 59 far 0 99 0 - 8.3-40.5 HG2 PRO 117 - HB3 ASN 59 far 0 89 0 - 8.6-18.5 HB3 PRO 117 - HB3 ASN 59 far 0 63 0 - 8.6-18.9 HB3 GLU 30 - HB3 ASN 59 far 0 73 0 - 8.8-23.1 Violated in 0 structures by 0.00 A. Peak 10932 from aliabs.peaks (2.04, 2.61, 38.13 ppm; 5.19 A): 3 out of 10 assignments used, quality = 0.99: HB2 LEU 62 + HB2 ASN 59 OK 83 92 90 100 5.3-7.1 1880/3.0=77...(33) HB VAL 63 + HB2 ASN 59 OK 80 81 100 100 4.2-6.3 2.1/10967=91, ~10968=41...(14) HG3 PRO 58 + HB2 ASN 59 OK 65 81 95 85 5.9-7.0 1880/3.0=37, ~11279=28...(14) HG2 PRO 58 - HB2 ASN 59 far 5 90 5 - 6.2-7.5 HB3 GLN 27 - HB2 ASN 59 far 4 81 5 - 6.3-22.6 HB VAL 118 - HB2 ASN 59 far 4 76 5 - 6.5-15.4 HG3 PRO 113 - HB2 ASN 59 lone 1 92 40 2 2.0-13.7 QE MET 11 - HB2 ASN 59 far 0 92 0 - 9.0-41.1 HG3 PRO 117 - HB2 ASN 59 far 0 98 0 - 9.8-20.7 HG2 PRO 117 - HB2 ASN 59 far 0 98 0 - 9.8-19.6 Violated in 1 structures by 0.00 A. Peak 10933 from aliabs.peaks (0.71, 2.61, 38.13 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.71: QD2 LEU 103 + HB2 ASN 59 OK 71 71 100 100 3.9-6.0 2.1/11833=97, ~11834=81...(19) Violated in 3 structures by 0.03 A. Peak 10934 from aliabs.peaks (3.63, 2.28, 33.67 ppm; 5.10 A): 1 out of 5 assignments used, quality = 0.92: HD2 PRO 58 + HG2 GLN 61 OK 92 92 100 100 1.9-5.3 10935/1.8=81...(24) HA3 GLY 66 - HG2 GLN 61 far 0 100 0 - 7.6-11.2 HA2 GLY 66 - HG2 GLN 61 far 0 100 0 - 8.0-11.1 HD2 PRO 56 - HG2 GLN 61 far 0 73 0 - 8.8-11.5 HD3 PRO 56 - HG2 GLN 61 far 0 95 0 - 10.0-12.4 Violated in 1 structures by 0.01 A. Peak 10935 from aliabs.peaks (3.63, 2.41, 33.67 ppm; 4.95 A): 1 out of 3 assignments used, quality = 0.99: HD2 PRO 58 + HG3 GLN 61 OK 99 99 100 100 2.7-5.0 10934/1.8=74...(25) HA3 GLY 66 - HG3 GLN 61 far 0 99 0 - 7.8-11.3 HA2 GLY 66 - HG3 GLN 61 far 0 100 0 - 8.2-10.7 Violated in 1 structures by 0.00 A. Peak 10936 from aliabs.peaks (0.87, 2.41, 33.67 ppm; 3.88 A): 1 out of 10 assignments used, quality = 0.92: QG2 VAL 57 + HG3 GLN 61 OK 92 97 95 100 3.3-6.3 10938/1.8=71...(27) QD2 LEU 48 - HG3 GLN 61 poor 16 65 25 - 3.1-12.1 QD2 LEU 123 - HG3 GLN 61 far 5 93 5 - 4.8-11.0 QG2 VAL 20 - HG3 GLN 61 far 4 71 5 - 4.5-25.7 QD2 LEU 22 - HG3 GLN 61 far 0 65 0 - 6.2-24.8 QD1 LEU 22 - HG3 GLN 61 far 0 85 0 - 6.5-25.3 QD2 LEU 69 - HG3 GLN 61 far 0 100 0 - 7.7-14.0 QG1 VAL 118 - HG3 GLN 61 far 0 71 0 - 8.0-14.3 QG2 ILE 32 - HG3 GLN 61 far 0 60 0 - 8.1-16.9 QD2 LEU 70 - HG3 GLN 61 far 0 97 0 - 9.6-13.5 Violated in 10 structures by 0.28 A. Peak 10937 from aliabs.peaks (0.95, 2.41, 33.67 ppm; 3.89 A): 1 out of 9 assignments used, quality = 0.97: QG1 VAL 57 + HG3 GLN 61 OK 97 97 100 100 2.9-4.4 2.1/10936=70...(28) QD2 LEU 53 - HG3 GLN 61 poor 18 95 30 64 4.2-12.5 9256/1.8=46...(6) QD1 LEU 123 - HG3 GLN 61 far 0 63 0 - 5.6-12.9 QD1 LEU 119 - HG3 GLN 61 far 0 92 0 - 6.1-12.4 QG2 VAL 112 - HG3 GLN 61 far 0 57 0 - 7.0-16.5 QG1 VAL 112 - HG3 GLN 61 far 0 96 0 - 7.4-14.8 QG2 VAL 126 - HG3 GLN 61 far 0 98 0 - 8.2-12.3 QG1 VAL 126 - HG3 GLN 61 far 0 100 0 - 9.1-12.6 QG2 ILE 37 - HG3 GLN 61 far 0 85 0 - 9.8-20.5 Violated in 7 structures by 0.06 A. Peak 10938 from aliabs.peaks (0.87, 2.28, 33.67 ppm; 4.00 A): 1 out of 8 assignments used, quality = 0.92: QG2 VAL 57 + HG2 GLN 61 OK 92 92 100 100 3.4-5.0 10936/1.8=78...(25) QD2 LEU 48 - HG2 GLN 61 poor 15 76 20 - 4.0-10.8 QD1 LEU 22 - HG2 GLN 61 far 0 92 0 - 5.7-24.7 QG2 VAL 20 - HG2 GLN 61 far 0 81 0 - 5.8-25.2 QD2 LEU 123 - HG2 GLN 61 far 0 97 0 - 5.9-11.0 QD2 LEU 69 - HG2 GLN 61 far 0 99 0 - 7.4-13.9 QG1 VAL 118 - HG2 GLN 61 far 0 81 0 - 8.7-14.7 QD2 LEU 70 - HG2 GLN 61 far 0 92 0 - 10.0-14.8 Violated in 10 structures by 0.21 A. Peak 10939 from aliabs.peaks (0.80, 3.83, 57.95 ppm; 3.63 A): 6 out of 23 assignments used, quality = 0.98: QD2 LEU 119 + HA LEU 62 OK 65 99 75 88 3.5-12.7 10992/3.7=24...(22) QD1 LEU 122 + HA LEU 123 OK 50 55 100 91 2.0-4.2 3899/2.9=32, ~3907=16...(29) QD2 LEU 122 + HA LEU 123 OK 49 53 100 92 1.9-5.0 3907/2.9=27, ~3899=20...(34) QD2 LEU 49 + HA LEU 123 OK 46 59 90 88 2.3-6.0 11422/3.9=19, ~3934=13...(30) QD1 LEU 53 + HA LEU 123 OK 34 58 95 61 2.4-5.2 3907/2.9=17, ~11818=15...(12) QD1 LEU 53 + HA LEU 62 OK 21 100 40 53 3.1-9.3 3.1/10998=13...(12) QD2 LEU 122 - HA LEU 62 poor 19 97 20 - 4.3-7.9 QD2 LEU 49 - HA LEU 62 poor 13 100 25 54 4.6-7.2 9431/10993=18...(9) QD1 LEU 122 - HA LEU 62 poor 13 98 25 52 3.6-8.0 11110/10997=18...(17) QD1 LEU 70 - HA LEU 123 far 5 49 10 - 4.3-9.8 QD2 LEU 119 - HA LEU 123 far 3 56 5 - 5.0-8.9 QD1 LEU 96 - HA LEU 123 far 0 36 0 - 5.4-7.8 QD1 ILE 32 - HA LEU 62 far 0 60 0 - 5.5-14.3 QG1 VAL 63 - HA LEU 62 far 0 92 0 - 5.9-6.2 QD1 LEU 103 - HA LEU 62 far 0 90 0 - 6.4-9.5 QD1 ILE 37 - HA LEU 62 far 0 60 0 - 7.2-16.7 QD1 LEU 70 - HA LEU 62 far 0 92 0 - 7.6-11.0 QD1 ILE 37 - HA LEU 123 far 0 28 0 - 7.8-15.5 QG1 VAL 63 - HA LEU 123 far 0 49 0 - 7.9-11.2 QD1 LEU 96 - HA LEU 62 far 0 73 0 - 8.1-10.9 QD1 LEU 103 - HA LEU 123 far 0 48 0 - 8.1-11.6 QG2 ILE 129 - HA LEU 123 far 0 32 0 - 8.3-9.4 QD1 ILE 32 - HA LEU 123 far 0 28 0 - 8.8-13.9 Violated in 0 structures by 0.00 A. Peak 10940 from aliabs.peaks (0.77, 1.14, 42.10 ppm; 4.52 A): 5 out of 9 assignments used, quality = 1.00: QG1 VAL 63 + HB3 LEU 62 OK 89 99 90 100 5.1-6.2 2.1/11012=86...(30) QD2 LEU 119 + HB3 LEU 62 OK 83 92 90 100 1.9-11.3 10992/3.0=41...(42) QD1 LEU 103 + HB3 LEU 62 OK 63 99 65 98 4.0-7.8 2.1/11823=75...(21) QD1 LEU 53 + HB3 LEU 62 OK 33 85 40 98 4.4-10.0 ~10338=50, ~10338=46...(14) QD2 LEU 122 + HB3 LEU 62 OK 28 96 40 72 4.0-8.3 9395/1.8=20, ~10992=8...(26) QD2 LEU 49 - HB3 LEU 62 far 4 76 5 - 5.8-8.4 QD1 ILE 32 - HB3 LEU 62 far 0 99 0 - 7.0-15.7 QD1 LEU 96 - HB3 LEU 62 far 0 100 0 - 9.0-12.2 QD1 ILE 37 - HB3 LEU 62 far 0 99 0 - 9.4-18.0 Violated in 1 structures by 0.00 A. Peak 10941 from aliabs.peaks (1.48, 0.68, 23.19 ppm; 3.14 A): 2 out of 6 assignments used, quality = 0.67: QB ALA 52 + QD2 LEU 62 OK 55 100 55 100 2.3-5.6 9232=95, 9317/9319=47...(19) HB2 LEU 49 + QD2 LEU 62 OK 27 89 60 50 2.2-6.0 1.8/10944=22...(9) HB2 LEU 49 - QD2 LEU 100 far 0 68 0 - 4.9-11.4 QB ALA 52 - QD2 LEU 100 far 0 83 0 - 5.3-11.6 HG LEU 42 - QD2 LEU 100 far 0 80 0 - 9.9-14.2 HG2 LYS 31 - QD2 LEU 62 far 0 76 0 - 9.9-18.0 Violated in 15 structures by 0.83 A. Peak 10942 from aliabs.peaks (1.36, 0.68, 23.19 ppm; 4.56 A): 2 out of 30 assignments used, quality = 0.98: HB3 LEU 100 + QD2 LEU 62 OK 89 97 95 97 3.8-6.6 3246=44, 11421/10348=36...(25) HB3 LEU 100 + QD2 LEU 100 OK 78 78 100 100 2.2-3.2 3.2=100 QB ALA 29 - QD2 LEU 100 poor 18 71 25 - 4.9-10.4 QB ALA 109 - QD2 LEU 100 poor 11 54 20 - 4.1-11.2 QB ALA 108 - QD2 LEU 100 poor 10 69 45 33 3.8-10.2 10964/10974=25...(4) HB2 LEU 96 - QD2 LEU 100 far 10 68 15 - 4.5-7.5 QB ALA 108 - QD2 LEU 62 far 9 90 10 - 5.7-11.3 QB ALA 110 - QD2 LEU 62 far 8 85 10 - 5.6-12.7 QB ALA 110 - QD2 LEU 100 far 3 64 5 - 5.6-12.0 QB ALA 28 - QD2 LEU 100 far 3 60 5 - 5.7-13.7 QB ALA 29 - QD2 LEU 62 lone 0 92 25 1 5.3-11.8 QB ALA 46 - QD2 LEU 62 far 0 73 0 - 6.5-8.1 HB2 LEU 96 - QD2 LEU 62 far 0 89 0 - 6.5-9.5 QB ALA 21 - QD2 LEU 62 far 0 89 0 - 6.7-23.0 QB ALA 28 - QD2 LEU 62 far 0 81 0 - 6.9-13.1 QB ALA 109 - QD2 LEU 62 far 0 73 0 - 7.1-11.3 HG3 LYS 26 - QD2 LEU 62 far 0 87 0 - 7.3-18.1 HG3 LYS 26 - QD2 LEU 100 far 0 66 0 - 7.5-19.2 QB ALA 46 - QD2 LEU 100 far 0 54 0 - 7.6-9.8 QB ALA 21 - QD2 LEU 100 far 0 68 0 - 8.1-24.3 QB ALA 12 - QD2 LEU 62 far 0 100 0 - 8.5-28.0 HG3 LYS 95 - QD2 LEU 100 far 0 58 0 - 8.5-11.4 HG2 LYS 24 - QD2 LEU 100 far 0 74 0 - 8.6-23.6 QB ALA 16 - QD2 LEU 62 far 0 63 0 - 8.8-24.4 HG2 LYS 95 - QD2 LEU 100 far 0 52 0 - 9.2-11.7 QB ALA 15 - QD2 LEU 62 far 0 87 0 - 9.4-27.3 HG2 LYS 24 - QD2 LEU 62 far 0 95 0 - 9.5-22.0 HG3 LYS 31 - QD2 LEU 62 far 0 78 0 - 9.7-18.5 HG3 LYS 31 - QD2 LEU 100 far 0 58 0 - 9.8-17.2 QB ALA 15 - QD2 LEU 100 far 0 66 0 - 9.8-28.1 Violated in 0 structures by 0.00 A. Peak 10943 from aliabs.peaks (1.80, 0.68, 23.19 ppm; 4.69 A): 8 out of 19 assignments used, quality = 1.00: HB3 LEU 122 + QD2 LEU 100 OK 78 79 100 100 3.1-5.8 ~11388=22, ~11492=22...(49) HB3 LEU 103 + QD2 LEU 100 OK 78 81 100 96 2.4-5.6 3.9/11418=26...(27) HG LEU 100 + QD2 LEU 62 OK 58 68 90 95 3.4-7.2 3.0/10942=34, ~2010=26...(20) HB2 LEU 100 + QD2 LEU 100 OK 56 56 100 100 2.0-3.2 3.2=100 HG LEU 100 + QD2 LEU 100 OK 50 50 100 100 2.1-2.1 2.1=100 HB3 LEU 122 + QD2 LEU 62 OK 45 98 60 77 4.0-7.0 4.3/11008=22, ~2012=11...(24) HB3 LEU 103 + QD2 LEU 62 OK 36 99 40 90 4.5-8.5 ~11823=30, ~11721=23...(25) HB2 LEU 100 + QD2 LEU 62 OK 35 76 50 93 5.0-7.5 1.8/10942=41...(19) HB2 LEU 48 - QD2 LEU 62 far 4 83 5 - 4.8-10.1 HB3 LYS 26 - QD2 LEU 100 far 3 69 5 - 5.8-18.5 HB3 LEU 98 - QD2 LEU 100 far 0 69 0 - 6.2-8.9 HB ILE 32 - QD2 LEU 100 far 0 75 0 - 7.3-14.0 HB VAL 93 - QD2 LEU 100 far 0 43 0 - 7.6-12.0 HB2 LEU 48 - QD2 LEU 100 far 0 62 0 - 8.1-15.1 HB3 LYS 24 - QD2 LEU 100 far 0 71 0 - 8.2-21.8 HB3 ARG 23 - QD2 LEU 100 far 0 64 0 - 8.6-23.7 HB ILE 32 - QD2 LEU 62 far 0 96 0 - 8.9-14.4 HB3 LYS 26 - QD2 LEU 62 far 0 90 0 - 9.0-18.1 HB3 LYS 24 - QD2 LEU 62 far 0 92 0 - 9.5-20.7 Violated in 0 structures by 0.00 A. Peak 10944 from aliabs.peaks (1.94, 0.68, 23.19 ppm; 3.85 A): 2 out of 17 assignments used, quality = 0.86: HG LEU 53 + QD2 LEU 62 OK 69 99 70 99 2.4-7.6 2.1/10338=79...(17) HB3 LEU 49 + QD2 LEU 62 OK 55 65 100 84 2.4-4.7 1.8/10941=30...(15) HB3 LEU 49 - QD2 LEU 100 far 5 47 10 - 4.3-10.7 HG LEU 53 - QD2 LEU 100 far 4 81 5 - 3.9-13.3 HB2 GLN 27 - QD2 LEU 100 far 3 56 5 - 4.0-16.4 HB2 PRO 58 - QD2 LEU 62 far 0 99 0 - 7.2-8.7 HB3 LYS 95 - QD2 LEU 100 far 0 83 0 - 7.3-10.6 HG2 PRO 113 - QD2 LEU 62 far 0 97 0 - 7.7-13.5 HB2 GLU 30 - QD2 LEU 100 far 0 82 0 - 7.7-16.3 HB2 LYS 95 - QD2 LEU 100 far 0 82 0 - 7.8-10.6 HB2 GLU 30 - QD2 LEU 62 far 0 100 0 - 7.9-16.5 HG2 PRO 113 - QD2 LEU 100 far 0 78 0 - 8.5-15.1 HB2 PRO 58 - QD2 LEU 100 far 0 80 0 - 8.6-14.4 HB2 GLN 27 - QD2 LEU 62 far 0 76 0 - 8.8-18.2 HB3 LYS 95 - QD2 LEU 62 far 0 100 0 - 9.3-12.9 HB ILE 37 - QD2 LEU 62 far 0 65 0 - 9.9-18.1 HB ILE 37 - QD2 LEU 100 far 0 47 0 - 9.9-17.0 Violated in 2 structures by 0.04 A. Peak 10945 from aliabs.peaks (2.25, 0.68, 23.19 ppm; 5.96 A): 5 out of 20 assignments used, quality = 0.96: HB3 GLN 104 + QD2 LEU 100 OK 53 58 100 92 2.0-6.9 ~11488=36, ~11445=28...(14) HB3 GLU 102 + QD2 LEU 100 OK 49 68 100 72 6.1-7.0 4.6/11418=37...(12) HB3 LEU 96 + QD2 LEU 100 OK 45 82 55 100 4.6-8.6 ~11918=66, ~11826=30...(36) HG2 GLU 97 + QD2 LEU 100 OK 45 82 55 99 2.7-8.2 10012/2.1=87, ~10011=38...(17) HB3 GLU 97 + QD2 LEU 100 OK 45 50 90 100 3.0-7.9 ~10036=75, ~10001=73...(32) HB2 GLN 68 - QD2 LEU 100 poor 19 47 40 - 6.6-8.2 HB2 GLN 68 - QD2 LEU 62 poor 13 65 20 - 7.1-9.2 HB3 PRO 113 - QD2 LEU 62 poor 13 63 20 - 5.7-11.6 HB VAL 105 - QD2 LEU 100 poor 12 62 20 - 6.3-9.9 HB3 LEU 96 - QD2 LEU 62 far 10 100 10 - 6.9-9.7 HB3 GLN 127 - QD2 LEU 62 far 8 76 10 - 5.9-10.4 HB3 GLN 104 - QD2 LEU 62 poor 7 78 35 27 6.2-10.3 11436/10974=8...(5) HB3 PRO 113 - QD2 LEU 100 far 5 45 10 - 6.0-15.2 HG2 GLU 30 - QD2 LEU 62 far 0 71 0 - 8.2-16.3 HB3 GLU 102 - QD2 LEU 62 far 0 89 0 - 8.8-12.5 HB3 GLU 97 - QD2 LEU 62 far 0 68 0 - 9.1-11.7 HB3 GLU 128 - QD2 LEU 62 far 0 93 0 - 9.3-13.2 HB3 GLN 127 - QD2 LEU 100 far 0 56 0 - 9.4-12.8 HG2 GLU 97 - QD2 LEU 62 far 0 100 0 - 9.5-11.4 HG2 GLU 30 - QD2 LEU 100 far 0 52 0 - 9.5-17.2 Violated in 0 structures by 0.00 A. Peak 10946 from aliabs.peaks (2.43, 0.68, 23.19 ppm; 6.41 A): 3 out of 7 assignments used, quality = 0.95: HG2 GLN 101 + QD2 LEU 100 OK 80 80 100 99 4.1-7.4 3305/3264=75, ~10053=70...(14) HG3 GLN 61 + QD2 LEU 62 OK 57 65 100 87 4.0-7.4 10936/9319=49...(6) HG2 GLU 55 + QD2 LEU 62 OK 45 92 55 88 6.7-10.7 10909/9230=77...(3) HG3 GLN 61 - QD2 LEU 100 poor 14 47 30 - 6.9-11.6 HB3 PRO 58 - QD2 LEU 62 far 4 71 5 - 7.9-9.0 HG2 GLN 101 - QD2 LEU 62 far 0 99 0 - 9.0-12.4 HB3 PRO 58 - QD2 LEU 100 far 0 52 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 10947 from aliabs.peaks (2.60, 0.91, 26.02 ppm; 5.06 A): 1 out of 2 assignments used, quality = 0.97: HB2 ASN 59 + QD1 LEU 62 OK 97 97 100 100 4.0-5.9 3.0/9388=88...(31) HB2 ASP 71 - QD1 LEU 62 far 0 98 0 - 9.8-14.4 Violated in 10 structures by 0.18 A. Peak 10948 from aliabs.peaks (2.85, 0.91, 26.02 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.91: HB3 ASN 59 + QD1 LEU 62 OK 83 83 100 100 3.1-5.6 3.0/9388=89...(30) HB2 ASN 116 + QD1 LEU 62 OK 47 100 80 58 3.7-11.1 10225/2009=12...(14) Violated in 0 structures by 0.00 A. Peak 10949 from aliabs.peaks (1.49, 3.83, 57.95 ppm; 4.95 A): 3 out of 7 assignments used, quality = 0.99: QB ALA 52 + HA LEU 62 OK 97 99 100 98 2.9-6.0 9232/3.9=82...(13) HB2 LEU 49 + HA LEU 62 OK 62 97 90 70 3.8-6.8 10959/10997=39...(8) HB2 LEU 49 + HA LEU 123 OK 26 54 50 94 4.9-8.3 3.0/10950=20, ~3934=19...(27) HG LEU 69 - HA LEU 123 poor 6 28 20 - 5.6-9.2 QB ALA 52 - HA LEU 123 far 0 57 0 - 6.5-9.0 HG LEU 69 - HA LEU 62 far 0 60 0 - 8.1-11.7 HG LEU 42 - HA LEU 123 far 0 59 0 - 9.6-14.1 Violated in 1 structures by 0.02 A. Peak 10950 from aliabs.peaks (1.57, 3.83, 57.95 ppm; 4.78 A): 3 out of 12 assignments used, quality = 0.80: HG LEU 123 + HA LEU 123 OK 58 58 100 100 2.9-3.8 3.7=100 HG LEU 49 + HA LEU 123 OK 35 59 60 98 4.4-8.0 3948/3.9=35...(29) HG LEU 123 + HA LEU 62 OK 27 100 40 69 3.7-10.2 2.1/3945=20...(15) HB2 LEU 119 - HA LEU 62 poor 14 68 20 - 5.1-11.8 HG LEU 49 - HA LEU 62 far 5 100 5 - 6.2-8.6 HB2 LEU 119 - HA LEU 123 far 0 33 0 - 6.5-7.7 HG LEU 103 - HA LEU 62 far 0 96 0 - 6.8-10.2 HB2 LEU 103 - HA LEU 123 far 0 57 0 - 8.4-12.5 HB2 LEU 103 - HA LEU 62 far 0 99 0 - 8.5-11.3 HG LEU 103 - HA LEU 123 far 0 52 0 - 9.5-12.8 HG2 ARG 23 - HA LEU 62 far 0 99 0 - 9.5-27.2 HG13 ILE 37 - HA LEU 62 far 0 89 0 - 9.5-22.3 Violated in 0 structures by 0.00 A. Peak 10951 from aliabs.peaks (1.53, 2.06, 42.10 ppm; 4.86 A): 2 out of 4 assignments used, quality = 0.71: HB2 LEU 119 + HB2 LEU 62 OK 59 90 65 100 3.1-10.1 10998/3.0=40...(46) HB2 LEU 53 + HB2 LEU 62 OK 30 99 30 100 4.9-10.3 11809/3.2=64, ~10338=42...(24) HG LEU 69 - HB2 LEU 62 far 0 93 0 - 9.6-13.9 HB2 LEU 22 - HB2 LEU 62 far 0 92 0 - 9.9-29.1 Violated in 12 structures by 0.69 A. Peak 10952 from aliabs.peaks (4.30, 3.83, 57.95 ppm; 6.80 A): 1 out of 9 assignments used, quality = 0.83: HA GLN 61 + HA LEU 62 OK 83 83 100 100 4.8-4.8 4.9=100 HA ALA 21 - HA LEU 62 far 5 100 5 - 7.9-30.5 HA THR 25 - HA LEU 62 far 5 98 5 - 8.2-21.6 HA ALA 109 - HA LEU 62 far 0 78 0 - 8.3-17.9 HA ALA 108 - HA LEU 62 far 0 78 0 - 8.5-17.2 HA ALA 110 - HA LEU 62 far 0 92 0 - 8.8-20.6 HA THR 18 - HA LEU 62 far 0 87 0 - 8.9-34.8 HA ALA 12 - HA LEU 62 far 0 93 0 - 9.0-39.3 HA GLN 61 - HA LEU 123 far 0 42 0 - 10.0-14.8 Violated in 0 structures by 0.00 A. Peak 10953 from aliabs.peaks (4.33, 1.64, 26.16 ppm; 5.56 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 59 + HG LEU 62 OK 100 100 100 100 3.6-5.1 9388/2.1=100...(24) Violated in 0 structures by 0.00 A. Peak 10954 from aliabs.peaks (4.02, 0.91, 26.02 ppm; 4.50 A): 2 out of 9 assignments used, quality = 0.90: HA LEU 119 + QD1 LEU 62 OK 85 100 95 90 1.6-7.5 3.7/2009=24, 2.8/7649=22...(23) HA SER 60 + QD1 LEU 62 OK 34 96 45 80 4.7-7.4 1901/6810=24...(12) HA LEU 122 - QD1 LEU 62 far 13 87 15 - 5.7-9.0 HA LEU 103 - QD1 LEU 62 poor 11 99 30 36 5.2-9.7 3368/11722=19...(5) HB3 SER 99 - QD1 LEU 62 far 7 73 10 - 5.5-8.3 HA SER 50 - QD1 LEU 62 far 0 71 0 - 6.4-9.7 HB3 SER 124 - QD1 LEU 62 far 0 98 0 - 7.1-11.5 HA GLU 102 - QD1 LEU 62 far 0 65 0 - 7.8-12.5 HA GLN 68 - QD1 LEU 62 far 0 85 0 - 9.0-11.9 Violated in 3 structures by 0.03 A. Peak 10955 from aliabs.peaks (4.21, 0.91, 26.02 ppm; 4.52 A): 0 out of 6 assignments used, quality = 0.00: HA HIS 67 - QD1 LEU 62 far 5 100 5 - 5.9-9.5 HA SER 99 - QD1 LEU 62 far 0 95 0 - 7.1-10.3 HA GLU 30 - QD1 LEU 62 far 0 100 0 - 7.4-18.1 HB THR 25 - QD1 LEU 62 far 0 78 0 - 7.8-19.6 HA SER 51 - QD1 LEU 62 far 0 99 0 - 7.9-12.2 HA ALA 29 - QD1 LEU 62 far 0 90 0 - 9.0-14.7 Violated in 20 structures by 2.04 A. Peak 10956 from aliabs.peaks (8.29, 1.64, 26.16 ppm; 5.42 A): 1 out of 5 assignments used, quality = 0.28: H LEU 123 + HG LEU 62 OK 28 73 40 97 4.4-9.4 11483/2.1=45...(24) H LEU 49 - HG LEU 62 far 10 98 10 - 6.4-11.0 H ALA 110 - HG LEU 62 far 0 73 0 - 7.6-15.9 H VAL 126 - HG LEU 62 far 0 96 0 - 8.8-12.6 H LEU 69 - HG LEU 62 far 0 99 0 - 9.3-11.2 Violated in 17 structures by 1.62 A. Peak 10957 from aliabs.peaks (8.48, 1.64, 26.16 ppm; 5.18 A): 0 out of 2 assignments used, quality = 0.00: H LEU 100 - HG LEU 62 far 0 99 0 - 8.4-12.1 H LEU 70 - HG LEU 62 far 0 90 0 - 9.9-12.0 Violated in 20 structures by 4.05 A. Peak 10958 from aliabs.peaks (0.58, 3.36, 66.55 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.96: QD1 LEU 100 + HA VAL 63 OK 96 96 100 100 2.5-4.2 10034=55, 3.2/9398=42...(30) Violated in 0 structures by 0.00 A. Peak 10959 from aliabs.peaks (2.19, 0.91, 22.96 ppm; 3.74 A): 3 out of 14 assignments used, quality = 1.00: HB2 GLN 104 + QG2 VAL 63 OK 99 99 100 100 2.1-5.1 3.0/11521=59...(30) HB3 GLN 104 + QG2 VAL 63 OK 63 63 100 100 1.9-4.9 3.0/11521=59...(28) HB3 GLN 127 + QD1 LEU 49 OK 26 31 95 86 1.8-5.4 3.0/10437=28...(16) HG2 GLN 68 - QD1 LEU 49 far 0 42 0 - 5.3-11.2 HB2 GLN 68 - QD1 LEU 49 far 0 37 0 - 7.1-10.6 HB2 GLN 101 - QG2 VAL 63 far 0 97 0 - 7.4-9.3 HB3 GLN 68 - QD1 LEU 49 far 0 49 0 - 7.8-10.4 HB2 GLN 68 - QG2 VAL 63 far 0 76 0 - 7.9-8.8 HG2 GLN 68 - QG2 VAL 63 far 0 83 0 - 8.0-9.6 HB3 GLU 97 - QG2 VAL 63 far 0 73 0 - 8.4-10.4 HB3 GLN 68 - QG2 VAL 63 far 0 92 0 - 9.2-10.1 HB VAL 133 - QD1 LEU 49 far 0 57 0 - 9.4-12.5 HB3 GLN 104 - QD1 LEU 49 far 0 30 0 - 9.9-14.6 HB2 GLN 104 - QD1 LEU 49 far 0 56 0 - 9.9-13.2 Violated in 2 structures by 0.01 A. Peak 10960 from aliabs.peaks (2.37, 0.91, 22.96 ppm; 3.87 A): 1 out of 8 assignments used, quality = 0.99: HG2 GLN 104 + QG2 VAL 63 OK 99 99 100 100 1.8-4.9 11440=98, 1.8/11523=75...(28) HG3 GLN 27 - QG2 VAL 63 far 6 60 10 - 3.5-17.4 HG3 GLN 27 - QD1 LEU 49 far 0 28 0 - 7.6-20.4 HG3 GLU 55 - QD1 LEU 49 far 0 58 0 - 7.7-10.7 HG3 GLU 97 - QG2 VAL 63 far 0 63 0 - 8.2-11.6 HG3 GLU 97 - QD1 LEU 49 far 0 30 0 - 8.8-12.7 HB2 PRO 117 - QG2 VAL 63 far 0 89 0 - 9.0-15.5 HG2 GLN 104 - QD1 LEU 49 far 0 56 0 - 9.9-13.9 Violated in 10 structures by 0.25 A. Peak 10961 from aliabs.peaks (2.47, 0.91, 22.96 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: HG3 GLN 104 + QG2 VAL 63 OK 100 100 100 100 2.0-5.3 11442=96, 1.8/11521=83...(25) HG3 GLN 127 + QD1 LEU 49 OK 53 56 100 95 1.7-4.9 10437=46, 1.8/10435=35...(18) HG2 GLU 55 - QD1 LEU 49 far 0 36 0 - 6.9-10.7 HG3 GLU 44 - QD1 LEU 49 far 0 52 0 - 8.0-11.3 HG3 GLN 104 - QD1 LEU 49 far 0 58 0 - 9.5-14.4 HG2 MET 11 - QG2 VAL 63 far 0 63 0 - 9.9-40.1 Violated in 1 structures by 0.00 A. Peak 10962 from aliabs.peaks (2.20, 0.78, 21.57 ppm; 3.90 A): 2 out of 8 assignments used, quality = 0.99: HB2 GLN 104 + QG1 VAL 63 OK 92 92 100 100 1.8-4.6 3.0/9400=59, 3.0/9401=57...(34) HB3 GLN 104 + QG1 VAL 63 OK 83 83 100 100 1.8-4.4 3.0/9400=59, 3.0/9401=57...(33) HG2 GLN 68 - QG1 VAL 63 far 0 96 0 - 5.8-8.1 HB2 GLN 101 - QG1 VAL 63 far 0 100 0 - 6.1-8.8 HB2 GLN 68 - QG1 VAL 63 far 0 92 0 - 6.1-6.9 HB3 GLN 68 - QG1 VAL 63 far 0 76 0 - 7.4-8.1 HB3 GLU 97 - QG1 VAL 63 far 0 90 0 - 7.5-10.4 HB3 GLU 102 - QG1 VAL 63 far 0 71 0 - 7.5-9.6 Violated in 0 structures by 0.00 A. Peak 10963 from aliabs.peaks (1.79, 0.78, 21.57 ppm; 4.32 A): 3 out of 10 assignments used, quality = 1.00: HB3 LEU 103 + QG1 VAL 63 OK 100 100 100 100 3.7-5.7 3.0/10965=55...(42) HG LEU 100 + QG1 VAL 63 OK 78 78 100 100 3.0-5.4 2.1/10973=83...(25) HB2 LEU 100 + QG1 VAL 63 OK 26 65 40 99 4.7-6.8 3.2/10973=68...(26) HB3 LYS 26 - QG1 VAL 63 far 8 83 10 - 5.5-17.3 HB3 LYS 24 - QG1 VAL 63 far 4 85 5 - 5.0-21.7 HB3 ARG 23 - QG1 VAL 63 far 0 76 0 - 6.0-22.7 HB3 LEU 122 - QG1 VAL 63 far 0 100 0 - 6.1-9.4 HB ILE 32 - QG1 VAL 63 far 0 90 0 - 6.3-13.0 HB3 LYS 31 - QG1 VAL 63 far 0 89 0 - 8.9-17.3 HB2 LEU 48 - QG1 VAL 63 far 0 90 0 - 9.2-14.0 Violated in 5 structures by 0.06 A. Peak 10964 from aliabs.peaks (1.37, 0.78, 21.57 ppm; 4.12 A): 2 out of 15 assignments used, quality = 0.66: QB ALA 108 + QG1 VAL 63 OK 52 96 60 90 1.8-9.9 11883/10980=41...(19) HB3 LEU 100 + QG1 VAL 63 OK 30 99 30 99 4.0-6.7 3.2/10973=63...(26) QB ALA 109 - QG1 VAL 63 poor 15 83 35 53 1.7-11.8 ~10118=17, 10971/2.1=13...(10) QB ALA 28 - QG1 VAL 63 far 13 89 15 - 2.2-13.1 QB ALA 110 - QG1 VAL 63 far 9 92 10 - 5.3-12.9 HG2 LYS 24 - QG1 VAL 63 far 5 98 5 - 5.0-23.4 HG3 LYS 26 - QG1 VAL 63 far 5 93 5 - 4.9-16.8 QB ALA 29 - QG1 VAL 63 lone 1 97 25 3 3.1-10.3 9409/4.3=1 HG3 LYS 31 - QG1 VAL 63 far 0 87 0 - 7.4-16.2 QB ALA 21 - QG1 VAL 63 far 0 81 0 - 7.9-24.0 QB ALA 12 - QG1 VAL 63 far 0 99 0 - 8.1-28.8 QB ALA 16 - QG1 VAL 63 far 0 73 0 - 8.6-25.3 HB2 LEU 96 - QG1 VAL 63 far 0 95 0 - 8.8-11.4 QB ALA 15 - QG1 VAL 63 far 0 93 0 - 9.2-27.8 QB ALA 46 - QG1 VAL 63 far 0 63 0 - 9.3-11.0 Violated in 14 structures by 0.82 A. Peak 10965 from aliabs.peaks (1.53, 0.78, 21.57 ppm; 4.73 A): 1 out of 6 assignments used, quality = 0.68: HG LEU 103 + QG1 VAL 63 OK 68 68 100 100 2.9-4.8 ~11832=47, ~11835=44...(28) HG LEU 69 - QG1 VAL 63 far 0 87 0 - 7.7-10.5 HB2 LEU 119 - QG1 VAL 63 far 0 96 0 - 7.7-11.4 HG13 ILE 37 - QG1 VAL 63 far 0 81 0 - 8.1-17.1 HB2 LEU 53 - QG1 VAL 63 far 0 96 0 - 8.6-14.0 HB2 LEU 22 - QG1 VAL 63 far 0 97 0 - 9.4-24.7 Violated in 1 structures by 0.00 A. Peak 10966 from aliabs.peaks (1.21, 0.91, 22.96 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.45: QG2 THR 65 + QD1 LEU 49 OK 45 46 100 98 2.9-4.5 11025/2.1=43...(27) QG2 THR 65 - QG2 VAL 63 far 0 89 0 - 5.2-7.3 Violated in 14 structures by 0.28 A. Peak 10967 from aliabs.peaks (2.61, 0.91, 22.96 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.98: HB2 ASN 59 + QG2 VAL 63 OK 98 100 100 98 3.3-4.9 9354=45, 1.8/10968=43...(19) HB2 ASP 71 - QG2 VAL 63 far 0 100 0 - 9.3-12.2 Violated in 3 structures by 0.05 A. Peak 10968 from aliabs.peaks (2.85, 0.91, 22.96 ppm; 4.93 A): 3 out of 5 assignments used, quality = 0.89: HB3 ASN 59 + QG2 VAL 63 OK 83 83 100 100 1.9-4.0 1.8/10967=90, 9357=31...(19) HB3 ASP 47 + QD1 LEU 49 OK 23 42 85 65 5.8-7.3 1.8/10956=24, 10904=21...(6) HB2 ASN 116 + QG2 VAL 63 OK 21 100 65 33 4.1-11.4 11830/11822=10...(7) HB3 ASP 131 - QD1 LEU 49 far 0 56 0 - 7.3-9.1 HB3 ASN 59 - QD1 LEU 49 far 0 42 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 10969 from aliabs.peaks (2.80, 0.78, 21.57 ppm; 5.04 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASP 64 + QG1 VAL 63 OK 100 100 100 100 3.3-5.8 3.0/10980=83, 10988=77...(17) HB3 ASP 71 - QG1 VAL 63 far 0 99 0 - 7.4-9.5 HB2 ASN 121 - QG1 VAL 63 far 0 100 0 - 9.7-13.7 Violated in 7 structures by 0.12 A. Peak 10971 from aliabs.peaks (1.39, 0.91, 22.96 ppm; 4.05 A): 3 out of 28 assignments used, quality = 0.84: HB3 LEU 100 + QG2 VAL 63 OK 53 89 60 99 3.8-6.2 ~10973=35, ~11017=33...(31) QB ALA 109 + QG2 VAL 63 OK 42 100 50 84 3.0-10.4 2.9/10118=25...(20) QB ALA 108 + QG2 VAL 63 OK 41 97 45 94 2.0-9.1 2.9/11484=40...(21) QB ALA 110 - QG2 VAL 63 far 15 99 15 - 4.6-11.5 QB ALA 29 - QD1 LEU 49 far 8 52 15 - 4.0-13.4 QB ALA 28 - QG2 VAL 63 far 5 99 5 - 4.1-13.6 QB ALA 29 - QG2 VAL 63 far 5 96 5 - 5.0-11.2 HB2 LEU 96 - QD1 LEU 49 far 0 54 0 - 5.8-8.7 HG3 LYS 26 - QD1 LEU 49 far 0 55 0 - 6.1-18.6 HB3 LEU 100 - QD1 LEU 49 far 0 46 0 - 6.2-8.9 HG3 LYS 26 - QG2 VAL 63 far 0 98 0 - 6.5-18.2 HG LEU 96 - QD1 LEU 49 far 0 56 0 - 6.7-9.2 QB ALA 28 - QD1 LEU 49 far 0 57 0 - 7.0-15.0 HG2 LYS 24 - QG2 VAL 63 far 0 93 0 - 7.2-24.5 HG LEU 96 - QG2 VAL 63 far 0 99 0 - 8.1-11.5 QB ALA 15 - QG2 VAL 63 far 0 98 0 - 8.1-29.1 HB2 LEU 42 - QD1 LEU 49 far 0 46 0 - 8.4-10.6 HB2 LEU 96 - QG2 VAL 63 far 0 97 0 - 8.4-11.8 QB ALA 15 - QD1 LEU 49 far 0 55 0 - 8.5-24.7 QB ALA 34 - QD1 LEU 49 far 0 36 0 - 8.7-14.6 HG3 LYS 95 - QD1 LEU 49 far 0 57 0 - 8.8-13.4 QB ALA 108 - QD1 LEU 49 far 0 53 0 - 9.0-14.5 QB ALA 16 - QD1 LEU 49 far 0 58 0 - 9.0-24.1 HG2 LYS 36 - QD1 LEU 49 far 0 54 0 - 9.1-16.9 HG2 LYS 19 - QD1 LEU 49 far 0 42 0 - 9.2-30.5 QB ALA 16 - QG2 VAL 63 far 0 100 0 - 9.3-26.4 HG3 LYS 31 - QG2 VAL 63 far 0 100 0 - 9.3-17.8 QB ALA 110 - QD1 LEU 49 far 0 56 0 - 9.9-16.3 Violated in 9 structures by 0.52 A. Peak 10972 from aliabs.peaks (1.61, 0.78, 21.57 ppm; 4.68 A): 1 out of 7 assignments used, quality = 0.33: HB2 LEU 103 + QG1 VAL 63 OK 33 60 55 100 5.0-6.7 3.0/10965=64...(35) HG LEU 122 - QG1 VAL 63 poor 17 100 35 49 4.8-9.3 11792/10973=13...(14) HG LEU 70 - QG1 VAL 63 poor 6 100 25 26 5.4-8.6 11792/10973=13...(5) HB2 LEU 122 - QG1 VAL 63 far 5 100 5 - 6.1-9.6 HG LEU 119 - QG1 VAL 63 far 5 92 5 - 6.0-12.2 HG3 ARG 23 - QG1 VAL 63 far 0 95 0 - 7.2-25.0 HB3 LEU 22 - QG1 VAL 63 far 0 97 0 - 9.3-24.5 Violated in 20 structures by 1.41 A. Peak 10973 from aliabs.peaks (0.61, 0.78, 21.57 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.91: QD1 LEU 100 + QG1 VAL 63 OK 91 92 100 99 1.8-3.8 2.1/10974=57...(31) Violated in 1 structures by 0.00 A. Peak 10974 from aliabs.peaks (0.68, 0.78, 21.57 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.96: QD2 LEU 100 + QG1 VAL 63 OK 94 100 95 99 1.8-5.1 2.1/10973=59...(33) QD2 LEU 62 + QG1 VAL 63 OK 33 99 35 95 4.5-5.8 9386/3.2=35, ~11012=25...(29) Violated in 6 structures by 0.16 A. Peak 10975 from aliabs.peaks (3.62, 3.36, 66.55 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: HA2 GLY 66 + HA VAL 63 OK 97 100 100 98 3.2-5.9 2.9/2019=62, 3.6/6860=42...(21) HA3 GLY 66 + HA VAL 63 OK 95 97 100 98 3.3-4.8 2.9/2019=62, 3.6/6860=42...(17) HD2 PRO 58 - HA VAL 63 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 10976 from aliabs.peaks (3.84, 3.36, 66.55 ppm; 5.76 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 62 + HA VAL 63 OK 100 100 100 100 4.7-4.9 4.9=100 HA LEU 123 - HA VAL 63 far 14 97 15 - 6.9-10.8 Violated in 0 structures by 0.00 A. Peak 10977 from aliabs.peaks (4.00, 3.36, 66.55 ppm; 5.05 A): 2 out of 8 assignments used, quality = 0.95: HA SER 60 + HA VAL 63 OK 92 97 95 100 5.8-6.7 10978/3.2=84...(11) HA THR 65 + HA VAL 63 OK 40 63 65 98 6.4-6.7 3.6/2019=59, ~6835=46...(15) HA LEU 119 - HA VAL 63 poor 11 65 40 40 5.1-10.3 11001/2017=16...(6) HA LEU 103 - HA VAL 63 far 0 90 0 - 6.7-9.3 HB3 SER 106 - HA VAL 63 far 0 85 0 - 6.9-13.4 HB3 SER 99 - HA VAL 63 far 0 100 0 - 8.2-9.8 HA GLN 68 - HA VAL 63 far 0 100 0 - 8.3-9.1 HA SER 50 - HA VAL 63 far 0 100 0 - 10.0-13.1 Violated in 20 structures by 0.61 A. Peak 10978 from aliabs.peaks (4.00, 0.78, 21.57 ppm; 3.82 A): 1 out of 6 assignments used, quality = 0.94: HA SER 60 + QG1 VAL 63 OK 94 99 100 96 3.5-5.0 2020/2.1=66...(15) HB3 SER 106 - QG1 VAL 63 far 8 78 10 - 4.6-10.4 HA LEU 103 - QG1 VAL 63 far 0 95 0 - 5.7-7.0 HA LEU 119 - QG1 VAL 63 far 0 73 0 - 6.2-10.5 HA GLN 68 - QG1 VAL 63 far 0 100 0 - 6.6-7.5 HB3 SER 99 - QG1 VAL 63 far 0 100 0 - 7.3-9.4 Violated in 18 structures by 0.62 A. Peak 10979 from aliabs.peaks (4.08, 0.78, 21.57 ppm; 4.12 A): 2 out of 7 assignments used, quality = 0.99: HA GLN 104 + QG1 VAL 63 OK 99 99 100 100 1.8-5.6 3416/9400=56...(19) HA GLN 101 + QG1 VAL 63 OK 24 73 50 67 4.2-7.0 11400/2.1=18...(12) HB THR 65 - QG1 VAL 63 far 0 87 0 - 6.1-7.3 HA ILE 32 - QG1 VAL 63 far 0 71 0 - 7.4-14.6 HA LEU 49 - QG1 VAL 63 far 0 71 0 - 8.1-11.4 HA LEU 96 - QG1 VAL 63 far 0 60 0 - 8.7-10.8 HA LEU 98 - QG1 VAL 63 far 0 73 0 - 8.8-11.1 Violated in 6 structures by 0.17 A. Peak 10980 from aliabs.peaks (4.45, 0.78, 21.57 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: HA ASP 64 + QG1 VAL 63 OK 100 100 100 100 2.7-3.7 9411=74, 2.9/6825=56...(25) HA SER 106 - QG1 VAL 63 far 10 100 10 - 5.2-9.7 HA PRO 58 - QG1 VAL 63 far 0 100 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 10981 from aliabs.peaks (4.46, 0.91, 22.96 ppm; 4.78 A): 1 out of 7 assignments used, quality = 0.99: HA ASP 64 + QG2 VAL 63 OK 99 99 100 100 5.1-5.4 10980/2.1=89...(20) HA PRO 58 - QG2 VAL 63 poor 13 100 30 44 6.2-7.7 6709/9350=21...(6) HA SER 106 - QG2 VAL 63 far 10 100 10 - 4.8-9.2 HB THR 54 - QD1 LEU 49 far 8 56 15 - 5.3-9.8 HA ASN 121 - QD1 LEU 49 far 0 30 0 - 7.8-10.3 HA ASN 121 - QG2 VAL 63 far 0 63 0 - 8.7-12.7 HA ASP 64 - QD1 LEU 49 far 0 56 0 - 8.9-10.5 Violated in 20 structures by 0.56 A. Peak 10982 from aliabs.peaks (7.17, 0.91, 22.96 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.29: HD2 HIS 67 + QG2 VAL 63 OK 29 100 30 97 4.3-7.8 9406/2.1=89...(5) HD2 HIS 67 - QD1 LEU 49 far 0 57 0 - 9.2-12.2 Violated in 18 structures by 1.68 A. Peak 10983 from aliabs.peaks (7.17, 3.36, 66.55 ppm; 6.25 A): 1 out of 1 assignment used, quality = 0.95: HD2 HIS 67 + HA VAL 63 OK 95 100 95 100 4.3-7.9 9406/3.2=92...(10) Violated in 16 structures by 0.59 A. Peak 10984 from aliabs.peaks (8.59, 0.91, 22.96 ppm; 5.05 A): 0 out of 0 assignments used, quality = 0.00: Peak 10985 from aliabs.peaks (7.18, 4.45, 57.70 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.37: HD2 HIS 67 + HA ASP 64 OK 37 93 40 100 3.1-7.5 4.0/2046=76, 4.0/2102=73...(6) Violated in 17 structures by 1.39 A. Peak 10986 from aliabs.peaks (2.10, 2.80, 40.01 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.90: HB2 GLN 61 + HB3 ASP 64 OK 78 100 80 97 4.9-6.2 3.0/2053=75, ~2047=47...(5) HB3 GLN 61 + HB3 ASP 64 OK 53 100 55 97 5.2-6.9 3.0/2053=75, ~2047=47...(5) HB VAL 57 - HB3 ASP 64 far 0 99 0 - 8.7-10.4 HB VAL 112 - HB3 ASP 64 far 0 83 0 - 8.8-22.1 Violated in 20 structures by 0.72 A. Peak 10987 from aliabs.peaks (0.91, 2.80, 40.01 ppm; 5.17 A): 1 out of 14 assignments used, quality = 0.60: QG2 VAL 63 + HB3 ASP 64 OK 60 100 60 100 5.4-6.8 2.1/10969=80...(14) QD1 LEU 62 - HB3 ASP 64 poor 17 100 25 69 6.2-8.9 6826/3.9=20...(7) QD2 LEU 48 - HB3 ASP 64 far 5 93 5 - 6.5-12.1 QG2 VAL 20 - HB3 ASP 64 far 5 90 5 - 5.5-21.4 QD1 LEU 48 - HB3 ASP 64 far 0 100 0 - 6.8-13.9 QG2 ILE 37 - HB3 ASP 64 far 0 71 0 - 7.3-16.3 QD2 LEU 123 - HB3 ASP 64 far 0 65 0 - 7.6-12.1 QD1 LEU 22 - HB3 ASP 64 far 0 78 0 - 7.6-23.4 QG1 VAL 20 - HB3 ASP 64 far 0 100 0 - 7.7-23.9 QG2 VAL 112 - HB3 ASP 64 far 0 93 0 - 7.9-19.0 QG1 VAL 118 - HB3 ASP 64 far 0 90 0 - 8.7-15.5 QD1 LEU 49 - HB3 ASP 64 far 0 100 0 - 8.9-10.9 QD1 LEU 123 - HB3 ASP 64 far 0 90 0 - 9.3-14.4 QD1 LEU 119 - HB3 ASP 64 far 0 60 0 - 9.7-14.6 Violated in 20 structures by 0.92 A. Peak 10988 from aliabs.peaks (0.79, 2.80, 40.01 ppm; 5.08 A): 2 out of 10 assignments used, quality = 0.99: QG1 VAL 63 + HB3 ASP 64 OK 99 99 100 100 3.3-5.8 10969=98, 10980/3.0=82...(17) QD1 ILE 32 + HB3 ASP 64 OK 24 78 40 76 2.2-13.2 10846/1.8=63...(8) QD1 LEU 122 - HB3 ASP 64 far 5 90 5 - 6.1-11.4 QD1 ILE 37 - HB3 ASP 64 far 4 78 5 - 6.4-15.6 QD2 LEU 49 - HB3 ASP 64 far 0 99 0 - 6.9-8.8 QD2 LEU 122 - HB3 ASP 64 far 0 100 0 - 7.0-11.0 QD1 LEU 53 - HB3 ASP 64 far 0 100 0 - 7.2-14.2 QD1 LEU 103 - HB3 ASP 64 far 0 98 0 - 7.2-11.2 QD2 LEU 119 - HB3 ASP 64 far 0 100 0 - 7.7-16.8 QD1 LEU 70 - HB3 ASP 64 far 0 78 0 - 9.0-11.6 Violated in 5 structures by 0.08 A. Peak 10989 from aliabs.peaks (1.66, 4.06, 67.71 ppm; 6.24 A): 2 out of 11 assignments used, quality = 0.97: HB2 LEU 69 + HB THR 65 OK 89 99 90 100 5.1-8.8 ~9443=97, 3.0/11055=93...(14) HG LEU 62 + HB THR 65 OK 71 95 75 100 4.1-8.3 3.7/1970=88, 2.1/9423=71...(13) HB2 LEU 123 - HB THR 65 poor 20 98 20 - 5.7-12.6 HD3 LYS 31 - HB THR 65 far 10 100 10 - 4.5-21.4 HD2 LYS 31 - HB THR 65 far 10 100 10 - 4.5-22.4 HD2 LYS 36 - HB THR 65 far 10 100 10 - 6.9-17.1 HD2 LYS 24 - HB THR 65 far 5 100 5 - 5.9-24.3 HD3 LYS 24 - HB THR 65 far 5 100 5 - 4.6-23.5 HD3 LYS 36 - HB THR 65 far 5 100 5 - 7.2-16.5 HD3 LYS 26 - HB THR 65 far 5 100 5 - 7.0-25.2 HD2 LYS 26 - HB THR 65 far 0 100 0 - 8.1-25.8 Violated in 6 structures by 0.11 A. Peak 10990 from aliabs.peaks (2.29, 1.23, 22.77 ppm; 4.42 A): 2 out of 7 assignments used, quality = 0.44: HG3 GLN 68 + QG2 THR 65 OK 28 63 45 100 4.3-6.6 1.8/9479=63...(26) HG2 GLN 61 + QG2 THR 65 OK 22 98 60 37 3.2-7.3 10989/9318=21...(4) HG3 GLU 30 - QG2 THR 65 far 9 89 10 - 3.9-16.1 HG2 GLU 30 - QG2 THR 65 far 4 85 5 - 5.0-15.5 HG2 GLU 44 - QG2 THR 65 far 0 71 0 - 6.5-11.2 HB3 PRO 113 - QG2 THR 65 far 0 90 0 - 9.3-15.0 HB3 GLN 101 - QG2 THR 65 far 0 97 0 - 9.9-13.9 Violated in 11 structures by 0.38 A. Peak 10991 from aliabs.peaks (1.77, 1.23, 22.77 ppm; 4.07 A): 1 out of 10 assignments used, quality = 0.64: HB2 LEU 48 + QG2 THR 65 OK 64 99 65 100 1.9-6.7 3.0/9441=60...(19) HB3 LEU 122 - QG2 THR 65 far 13 87 15 - 5.2-10.5 HG LEU 100 - QG2 THR 65 poor 11 100 25 44 5.1-9.0 2.1/9432=20...(6) HB2 LYS 19 - QG2 THR 65 far 0 60 0 - 6.0-24.7 HB2 LYS 24 - QG2 THR 65 far 0 63 0 - 6.6-19.9 HB2 LYS 26 - QG2 THR 65 far 0 65 0 - 7.3-17.5 HB2 LYS 31 - QG2 THR 65 far 0 60 0 - 7.6-16.9 HB3 LEU 103 - QG2 THR 65 far 0 81 0 - 7.8-11.2 HB2 ARG 23 - QG2 THR 65 far 0 83 0 - 8.9-19.0 HG13 ILE 129 - QG2 THR 65 far 0 63 0 - 9.8-13.0 Violated in 16 structures by 1.05 A. Peak 10992 from aliabs.peaks (1.58, 1.23, 22.77 ppm; 3.97 A): 2 out of 7 assignments used, quality = 1.00: HG LEU 49 + QG2 THR 65 OK 99 100 100 100 2.6-4.3 2.1/10966=64...(27) HG LEU 123 + QG2 THR 65 OK 24 97 30 82 4.1-8.5 2.1/11510=43...(14) HG LEU 122 - QG2 THR 65 poor 13 63 20 - 4.9-9.0 HG13 ILE 37 - QG2 THR 65 far 4 78 5 - 4.9-15.0 HG2 ARG 23 - QG2 THR 65 far 0 95 0 - 6.5-20.5 HG LEU 103 - QG2 THR 65 far 0 89 0 - 7.2-10.9 HB2 LEU 103 - QG2 THR 65 far 0 100 0 - 8.3-12.0 Violated in 3 structures by 0.02 A. Peak 10993 from aliabs.peaks (3.84, 1.23, 22.77 ppm; 4.15 A): 2 out of 6 assignments used, quality = 0.96: HA LEU 62 + QG2 THR 65 OK 95 98 100 97 2.1-5.1 1970/2.1=59, 10997=55...(15) HA LEU 123 + QG2 THR 65 OK 21 99 30 72 3.5-8.4 3.9/11510=30...(12) HB2 SER 50 - QG2 THR 65 far 0 83 0 - 6.1-8.5 HB2 SER 130 - QG2 THR 65 far 0 71 0 - 7.1-10.1 HD3 PRO 58 - QG2 THR 65 far 0 71 0 - 8.5-11.0 HB3 SER 33 - QG2 THR 65 far 0 99 0 - 10.0-16.1 Violated in 5 structures by 0.11 A. Peak 10994 from aliabs.peaks (3.62, 1.23, 22.77 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.99: HA2 GLY 66 + QG2 THR 65 OK 95 96 100 99 2.7-5.0 4.9/2074=62, ~6853=50...(23) HA3 GLY 66 + QG2 THR 65 OK 87 89 100 99 3.0-5.6 4.9/2074=62, ~6853=50...(23) HD2 PRO 58 - QG2 THR 65 far 0 100 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 10995 from aliabs.peaks (8.46, 1.23, 22.77 ppm; 5.35 A): 2 out of 3 assignments used, quality = 1.00: H LEU 70 + QG2 THR 65 OK 100 100 100 100 5.2-6.7 4.4/9443=78...(15) H ASP 47 + QG2 THR 65 OK 54 100 55 99 5.2-7.2 6579/9199=67...(15) H LEU 100 - QG2 THR 65 far 0 68 0 - 8.6-11.9 Violated in 13 structures by 0.26 A. Peak 10996 from aliabs.peaks (8.68, 1.23, 22.77 ppm; 5.90 A): 1 out of 1 assignment used, quality = 0.85: H SER 50 + QG2 THR 65 OK 85 85 100 100 4.2-5.8 3.2/11703=92...(23) Violated in 0 structures by 0.00 A. Peak 10997 from aliabs.peaks (2.15, 3.63, 47.54 ppm; 6.80 A): 4 out of 6 assignments used, quality = 1.00: HB3 LEU 69 + HA3 GLY 66 OK 100 100 100 100 4.1-6.9 ~11058=56, 2190=50...(22) HB3 LEU 69 + HA2 GLY 66 OK 98 98 100 100 2.4-6.0 3.2/11058=66...(23) HB3 GLN 68 + HA2 GLY 66 OK 50 60 100 83 6.3-7.8 2140/4.9=40, 3.7/6879=35...(6) HB3 GLN 68 + HA3 GLY 66 OK 49 63 95 82 7.0-8.3 2140/4.9=40, 3.7/6879=35...(6) HB2 GLU 97 - HA3 GLY 66 far 4 85 5 - 8.2-10.6 HB2 GLU 97 - HA2 GLY 66 far 0 82 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 10998 from aliabs.peaks (3.37, 3.63, 47.54 ppm; 5.49 A): 4 out of 6 assignments used, quality = 1.00: HA VAL 63 + HA3 GLY 66 OK 100 100 100 100 3.3-4.8 2019/2.9=75...(17) HA VAL 63 + HA2 GLY 66 OK 98 98 100 100 3.2-5.9 2019/2.9=75, 6860/3.6=48...(21) HB2 HIS 67 + HA3 GLY 66 OK 60 73 100 81 4.6-5.9 ~11035=43, 6848/2.9=34...(11) HB2 HIS 67 + HA2 GLY 66 OK 56 70 100 80 5.2-6.3 ~11035=43, 6848/2.9=34...(10) HB3 TYR 72 - HA2 GLY 66 far 0 65 0 - 8.0-11.5 HB3 TYR 72 - HA3 GLY 66 far 0 68 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 10999 from aliabs.peaks (2.07, 3.63, 47.54 ppm; 6.06 A): 2 out of 11 assignments used, quality = 0.93: HB2 LEU 62 + HA3 GLY 66 OK 89 95 95 99 5.6-7.9 ~6847=48, ~9384=42...(20) HB2 LEU 62 + HA2 GLY 66 OK 33 97 35 98 6.8-8.5 ~6847=48, ~9384=42...(19) HB VAL 118 - HA3 GLY 66 far 10 99 10 - 6.2-13.6 HB VAL 118 - HA2 GLY 66 far 0 100 0 - 7.6-14.7 HB3 GLN 27 - HA2 GLY 66 far 0 100 0 - 7.8-19.7 HB2 GLN 127 - HA2 GLY 66 far 0 85 0 - 8.4-11.5 HB2 GLN 61 - HA3 GLY 66 far 0 55 0 - 8.6-10.2 HB2 GLN 61 - HA2 GLY 66 far 0 57 0 - 8.8-10.8 HB3 GLN 27 - HA3 GLY 66 far 0 98 0 - 8.8-19.4 HB2 GLN 127 - HA3 GLY 66 far 0 82 0 - 9.2-11.5 HB VAL 57 - HA3 GLY 66 far 0 75 0 - 9.3-11.0 Violated in 16 structures by 0.37 A. Peak 11000 from aliabs.peaks (1.21, 3.63, 47.54 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 65 + HA2 GLY 66 OK 96 96 100 100 2.7-5.0 2074/4.9=90, ~6853=86...(25) QG2 THR 65 + HA3 GLY 66 OK 93 93 100 100 3.0-5.6 2074/4.9=90, ~6853=86...(23) QG2 THR 54 - HA2 GLY 66 far 0 65 0 - 9.1-14.0 QG2 THR 54 - HA3 GLY 66 far 0 63 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 11001 from aliabs.peaks (3.97, 3.63, 47.54 ppm; 5.49 A): 4 out of 15 assignments used, quality = 1.00: HA THR 65 + HA2 GLY 66 OK 100 100 100 100 4.7-5.3 4.9=100 HA THR 65 + HA3 GLY 66 OK 99 99 100 100 4.8-5.4 4.9=100 HA LEU 100 + HA3 GLY 66 OK 57 98 80 73 5.0-7.3 3266/10035=40...(9) HA LEU 100 + HA2 GLY 66 OK 20 99 30 68 5.8-8.9 3266/10035=40...(9) HA GLN 127 - HA2 GLY 66 far 5 100 5 - 6.9-11.1 HA SER 50 - HA2 GLY 66 far 3 68 5 - 6.9-11.1 HB3 SER 99 - HA3 GLY 66 far 0 63 0 - 7.4-9.1 HA SER 50 - HA3 GLY 66 far 0 65 0 - 7.4-11.0 HB3 SER 107 - HA3 GLY 66 far 0 94 0 - 7.6-14.5 HB3 SER 99 - HA2 GLY 66 far 0 65 0 - 7.9-10.2 HB3 SER 107 - HA2 GLY 66 far 0 97 0 - 8.1-14.8 HA GLN 127 - HA3 GLY 66 far 0 99 0 - 8.1-10.2 HB2 SER 124 - HA3 GLY 66 far 0 82 0 - 8.8-13.2 HB2 SER 124 - HA2 GLY 66 far 0 85 0 - 9.1-12.9 HB2 SER 106 - HA3 GLY 66 far 0 98 0 - 9.8-14.9 Violated in 0 structures by 0.00 A. Peak 11002 from aliabs.peaks (4.06, 3.63, 47.54 ppm; 5.68 A): 2 out of 11 assignments used, quality = 1.00: HB THR 65 + HA2 GLY 66 OK 100 100 100 100 3.8-6.0 6853/2.9=93...(13) HB THR 65 + HA3 GLY 66 OK 98 99 100 100 4.1-6.0 6853/2.9=93...(15) HA LEU 122 - HA2 GLY 66 poor 18 73 25 - 4.6-9.3 HA GLN 104 - HA3 GLY 66 far 10 68 15 - 6.1-11.9 HA LEU 96 - HA3 GLY 66 far 10 95 10 - 6.0-8.3 HA LEU 122 - HA3 GLY 66 poor 6 70 35 25 4.3-8.9 3.8/9448=7, 3.6/11008=7...(5) HA LEU 96 - HA2 GLY 66 far 5 97 5 - 6.2-8.4 HA GLN 104 - HA2 GLY 66 far 0 71 0 - 7.3-13.5 HB2 SER 74 - HA2 GLY 66 far 0 99 0 - 9.3-12.9 HB3 SER 74 - HA3 GLY 66 far 0 98 0 - 9.4-12.6 HB2 SER 74 - HA3 GLY 66 far 0 97 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 11003 from aliabs.peaks (0.60, 3.63, 47.54 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 100 + HA3 GLY 66 OK 99 100 100 100 2.1-4.3 11037/3.6=54...(24) QD1 LEU 100 + HA2 GLY 66 OK 98 98 100 100 3.1-5.3 11037/3.6=54...(22) Violated in 0 structures by 0.00 A. Peak 11004 from aliabs.peaks (0.90, 3.63, 47.54 ppm; 4.23 A): 9 out of 22 assignments used, quality = 1.00: QG2 VAL 63 + HA3 GLY 66 OK 80 92 95 92 4.8-6.0 ~2019=25, 9433/2.9=23...(17) QD1 LEU 49 + HA2 GLY 66 OK 71 86 90 93 3.5-6.8 2.1/9208=42, 9210=29...(16) QD1 LEU 62 + HA3 GLY 66 OK 68 87 85 92 3.2-6.2 ~9384=27, 2.1/10024=24...(21) QD1 LEU 49 + HA3 GLY 66 OK 61 89 75 92 4.4-6.9 2.1/9208=40, ~9208=29...(14) QD2 LEU 69 + HA2 GLY 66 OK 46 57 85 95 1.9-6.1 2.1/11058=42, 11053=23...(25) QD2 LEU 123 + HA3 GLY 66 OK 44 95 80 58 3.0-6.8 9433/2.9=12...(16) QD2 LEU 123 + HA2 GLY 66 OK 42 92 80 57 3.2-6.7 11422/9208=12...(14) QD1 LEU 62 + HA2 GLY 66 OK 34 84 45 90 3.8-7.1 ~9384=27, 2.1/10024=23...(20) QD2 LEU 69 + HA3 GLY 66 OK 34 60 60 93 3.4-7.3 ~11058=31, 2.1/11058=19...(24) QG1 VAL 118 - HA2 GLY 66 poor 20 99 20 - 4.7-10.7 QG1 VAL 118 - HA3 GLY 66 poor 15 100 75 21 4.0-9.9 11722/11842=14...(5) QD1 LEU 48 - HA3 GLY 66 far 14 93 15 - 5.0-12.1 QD1 LEU 48 - HA2 GLY 66 poor 12 91 35 37 4.0-10.9 9418/4.9=12...(6) QD2 LEU 48 - HA2 GLY 66 far 5 99 5 - 5.6-9.1 QG2 VAL 63 - HA2 GLY 66 far 4 89 5 - 4.5-7.1 QD2 LEU 48 - HA3 GLY 66 far 0 100 0 - 6.2-10.4 QG2 VAL 20 - HA2 GLY 66 far 0 99 0 - 7.0-24.2 QG1 VAL 20 - HA2 GLY 66 far 0 92 0 - 7.4-26.7 QG2 VAL 20 - HA3 GLY 66 far 0 100 0 - 7.5-25.2 QG1 VAL 20 - HA3 GLY 66 far 0 95 0 - 8.0-27.7 QD2 LEU 98 - HA3 GLY 66 far 0 95 0 - 8.6-11.3 QD2 LEU 98 - HA2 GLY 66 far 0 92 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 11008 from aliabs.peaks (8.28, 3.63, 47.54 ppm; 5.73 A): 5 out of 14 assignments used, quality = 1.00: H LEU 69 + HA3 GLY 66 OK 88 89 100 99 3.6-5.6 11034/4.9=63...(16) H LEU 69 + HA2 GLY 66 OK 85 86 100 100 3.4-4.7 11034/4.9=63...(16) H LEU 49 + HA2 GLY 66 OK 47 82 70 81 5.0-9.6 5.0/9208=38, 4.7/9210=26...(11) H LEU 123 + HA3 GLY 66 OK 34 93 70 53 3.9-8.8 11483/10024=12...(14) H VAL 126 + HA2 GLY 66 OK 30 99 50 60 4.8-8.1 3099/11808=21...(11) H LEU 123 - HA2 GLY 66 poor 18 91 40 48 4.9-9.4 11483/10024=11, ~6847=7...(12) H LEU 49 - HA3 GLY 66 poor 17 85 25 80 6.3-10.7 5.0/9208=36, 4.7/9210=23...(11) H VAL 126 - HA3 GLY 66 poor 11 100 30 38 5.2-8.6 3099/11808=10...(10) H LEU 96 - HA2 GLY 66 far 0 98 0 - 8.0-10.4 H LEU 96 - HA3 GLY 66 far 0 99 0 - 8.3-10.5 H SER 99 - HA3 GLY 66 far 0 97 0 - 8.7-10.2 H SER 99 - HA2 GLY 66 far 0 95 0 - 9.2-11.1 H GLU 30 - HA2 GLY 66 far 0 91 0 - 9.3-14.9 H GLU 30 - HA3 GLY 66 far 0 93 0 - 9.7-15.1 Violated in 0 structures by 0.00 A. Peak 11009 from aliabs.peaks (8.48, 3.63, 47.54 ppm; 5.60 A): 3 out of 8 assignments used, quality = 0.99: H LEU 70 + HA3 GLY 66 OK 91 92 100 99 4.3-5.2 11100/3.6=67...(15) H LEU 70 + HA2 GLY 66 OK 89 89 100 99 3.6-5.1 11100/3.6=67...(15) H LEU 100 + HA3 GLY 66 OK 27 99 40 69 6.1-7.9 7401/10035=40...(8) H LEU 100 - HA2 GLY 66 far 10 97 10 - 6.5-9.0 H ASP 47 - HA2 GLY 66 far 0 75 0 - 7.7-11.1 H GLU 97 - HA2 GLY 66 far 0 86 0 - 8.2-9.8 H GLU 97 - HA3 GLY 66 far 0 89 0 - 8.3-9.6 H ASP 47 - HA3 GLY 66 far 0 78 0 - 9.2-12.3 Violated in 0 structures by 0.00 A. Peak 11010 from aliabs.peaks (8.88, 3.63, 47.54 ppm; 5.34 A): 2 out of 4 assignments used, quality = 0.91: H GLY 66 + HA3 GLY 66 OK 71 71 100 100 2.3-2.8 2.9=100 H GLY 66 + HA2 GLY 66 OK 68 68 100 100 2.3-2.9 2.9=100 H CYS 73 - HA3 GLY 66 far 0 68 0 - 7.8-9.9 H CYS 73 - HA2 GLY 66 far 0 65 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 11011 from aliabs.peaks (3.64, 4.21, 58.74 ppm; 5.30 A): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 66 + HA HIS 67 OK 100 100 100 100 4.3-4.8 4.9=100 HA2 GLY 66 + HA HIS 67 OK 98 98 100 100 4.3-4.8 4.9=100 Violated in 0 structures by 0.00 A. Peak 11012 from aliabs.peaks (3.87, 4.21, 58.74 ppm; 5.42 A): 1 out of 8 assignments used, quality = 0.96: HA LEU 70 + HA HIS 67 OK 96 96 100 100 5.0-5.8 2.9/6936=88...(14) HA2 GLY 2 - HA GLU 128 far 1 24 5 - 6.5-76.2 HA3 GLY 2 - HA GLU 128 far 1 23 5 - 5.5-76.6 HB3 SER 50 - HA GLU 128 far 0 42 0 - 7.3-10.6 HA LEU 123 - HA HIS 67 far 0 87 0 - 7.8-10.9 HA ALA 46 - HA GLU 128 far 0 29 0 - 7.9-10.0 HA LEU 123 - HA GLU 128 far 0 35 0 - 8.1-9.8 HA ALA 46 - HA HIS 67 far 0 76 0 - 8.5-11.7 Violated in 4 structures by 0.05 A. Peak 11013 from aliabs.peaks (2.20, 4.21, 58.74 ppm; 4.98 A): 3 out of 10 assignments used, quality = 0.96: HG2 GLN 68 + HA HIS 67 OK 77 85 95 96 5.3-6.6 2150/3.6=59, 2151/4.9=47...(14) HB2 GLN 68 + HA HIS 67 OK 75 78 100 95 5.5-5.9 4.4/6916=63, 6887/3.6=32...(15) HB3 GLN 127 + HA GLU 128 OK 25 25 100 100 4.1-5.6 ~4048=46, 4058/2.9=44...(25) HB2 GLN 101 - HA HIS 67 poor 14 98 25 57 5.4-8.3 3286/7408=23...(7) HB3 GLN 68 - HA HIS 67 far 14 90 15 - 6.4-6.6 HB3 GLU 97 - HA HIS 67 far 11 76 15 - 6.4-8.8 HB2 GLN 104 - HA HIS 67 poor 11 99 40 27 3.9-9.4 10030/10037=9, ~9452=5...(6) HB3 GLN 104 - HA HIS 67 poor 9 65 35 38 4.6-10.3 10025/11014=15...(7) HG2 GLU 91 - HA GLU 128 far 0 39 0 - 8.7-12.7 HB VAL 133 - HA GLU 128 far 0 44 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 11014 from aliabs.peaks (0.69, 4.21, 58.74 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 100 + HA HIS 67 OK 96 96 100 100 2.8-5.0 2.1/10037=86...(19) QD2 LEU 62 - HA HIS 67 poor 19 93 20 - 5.9-7.7 QD1 LEU 43 - HA GLU 128 far 0 40 0 - 8.0-10.5 Violated in 2 structures by 0.01 A. Peak 11015 from aliabs.peaks (1.41, 4.00, 58.83 ppm; 5.55 A): 1 out of 11 assignments used, quality = 0.36: HG13 ILE 32 + HA GLN 68 OK 36 83 50 87 4.1-10.9 11018/2123=45...(11) QB ALA 34 - HA GLN 68 poor 20 99 20 - 3.8-11.9 HG2 LYS 36 - HA GLN 68 poor 16 63 25 - 4.8-11.8 HG3 LYS 31 - HA GLN 68 poor 15 76 20 - 5.7-14.1 QB ALA 108 - HA GLN 68 far 6 60 10 - 5.9-16.9 HG3 LYS 26 - HA GLN 68 far 0 65 0 - 7.3-20.0 QB ALA 28 - HA GLN 68 far 0 73 0 - 7.8-14.6 HG2 LYS 26 - HA GLN 68 far 0 78 0 - 8.0-19.8 QB ALA 109 - HA GLN 68 far 0 81 0 - 8.5-19.6 HG LEU 96 - HA GLN 68 far 0 97 0 - 8.7-11.9 QB ALA 15 - HA GLN 68 far 0 65 0 - 9.4-28.6 Violated in 16 structures by 1.80 A. Peak 11016 from aliabs.peaks (1.22, 2.32, 33.81 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.50: QG2 THR 65 + HG3 GLN 68 OK 50 100 50 100 4.3-6.6 9479/1.8=68...(26) Violated in 19 structures by 1.13 A. Peak 11017 from aliabs.peaks (1.42, 2.22, 28.25 ppm; 5.06 A): 2 out of 11 assignments used, quality = 0.70: QB ALA 92 + HB3 GLU 128 OK 52 52 100 100 2.0-5.2 10444/1.8=96...(22) HG13 ILE 32 + HB2 GLN 68 OK 39 100 40 97 3.5-10.5 11018/3.0=59...(12) QB ALA 34 - HB2 GLN 68 far 15 97 15 - 4.9-12.8 HG2 LYS 26 - HB3 GLU 102 far 3 52 5 - 5.4-29.6 HG3 LYS 24 - HB2 GLN 68 far 0 76 0 - 6.7-20.5 HG2 LYS 86 - HB2 GLN 82 far 0 83 0 - 7.0-9.2 HG3 LYS 24 - HB3 GLU 102 far 0 34 0 - 7.3-36.0 HG2 LYS 26 - HB2 GLN 68 far 0 99 0 - 7.9-21.5 HG LEU 96 - HB3 GLU 128 far 0 28 0 - 7.9-10.7 HG LEU 96 - HB2 GLN 68 far 0 65 0 - 9.4-13.5 HG LEU 96 - HB3 GLU 102 far 0 28 0 - 9.9-12.4 Violated in 1 structures by 0.00 A. Peak 11018 from aliabs.peaks (1.43, 2.32, 33.81 ppm; 5.58 A): 1 out of 5 assignments used, quality = 0.63: HG13 ILE 32 + HG3 GLN 68 OK 63 100 65 97 4.3-10.9 2.1/9009=51...(15) QB ALA 34 - HG3 GLN 68 poor 19 95 20 - 2.6-11.6 HG2 LYS 31 - HG3 GLN 68 far 6 60 10 - 4.0-16.1 HG2 LYS 26 - HG3 GLN 68 far 0 100 0 - 8.3-22.2 HG3 LYS 24 - HG3 GLN 68 far 0 83 0 - 9.3-21.0 Violated in 15 structures by 1.37 A. Peak 11019 from aliabs.peaks (1.13, 2.22, 28.25 ppm; 4.84 A): 4 out of 8 assignments used, quality = 0.83: QG2 VAL 132 + HB3 GLU 128 OK 46 48 95 99 3.7-6.7 11694/1.8=44...(21) QG1 VAL 132 + HB3 GLU 128 OK 42 52 80 99 4.2-7.4 11741/3.0=45...(21) QG1 VAL 132 + HB2 GLN 82 OK 29 89 40 81 5.3-10.9 10545/11277=44...(10) HG12 ILE 32 + HB2 GLN 68 OK 25 73 35 96 1.9-12.2 ~11015=41, ~11018=41...(13) QG2 VAL 132 - HB2 GLN 82 far 8 84 10 - 6.0-9.4 HG2 LYS 39 - HB2 GLN 82 far 0 88 0 - 7.8-16.6 QG2 THR 115 - HB3 GLU 102 far 0 53 0 - 9.7-13.8 HB3 LEU 62 - HB2 GLN 68 far 0 95 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 11020 from aliabs.peaks (1.00, 2.22, 28.25 ppm; 5.51 A): 3 out of 5 assignments used, quality = 0.96: QD1 LEU 69 + HB2 GLN 68 OK 87 97 90 100 4.5-7.2 2.1/11021=36...(24) QG2 VAL 118 + HB3 GLU 102 OK 52 52 100 100 4.0-6.9 11545=99, 10271/3207=51...(15) QG2 VAL 105 + HB3 GLU 102 OK 34 49 70 100 3.6-8.9 11508/3.0=96...(22) QD1 LEU 69 - HB3 GLU 128 far 0 48 0 - 7.2-10.1 QG2 VAL 105 - HB2 GLN 68 far 0 97 0 - 8.4-13.7 Violated in 0 structures by 0.00 A. Peak 11021 from aliabs.peaks (0.86, 2.22, 28.25 ppm; 4.94 A): 2 out of 16 assignments used, quality = 0.78: QD2 LEU 69 + HB2 GLN 68 OK 54 99 55 99 4.0-7.3 6930/4.4=34...(24) QG2 ILE 32 + HB2 GLN 68 OK 51 81 70 91 1.9-8.6 ~11015=32, ~11018=32...(14) QD1 LEU 98 - HB3 GLU 102 poor 15 53 70 42 3.9-7.8 3191/2139=11...(10) QD2 LEU 70 - HB2 GLN 68 far 15 100 15 - 5.5-8.4 QD2 LEU 98 - HB3 GLU 102 poor 12 35 75 45 4.7-7.6 10067/3.8=12, 4.0/3415=7...(13) QG1 VAL 133 - HB2 GLN 82 far 3 66 5 - 6.1-10.8 QD2 LEU 70 - HB3 GLU 102 far 0 53 0 - 6.6-10.5 QD2 LEU 123 - HB3 GLU 128 far 0 35 0 - 6.7-10.0 QG1 VAL 133 - HB3 GLU 128 far 0 36 0 - 6.9-8.2 QD2 LEU 69 - HB3 GLU 128 far 0 51 0 - 7.1-9.9 QD2 LEU 22 - HB2 GLN 68 far 0 85 0 - 7.2-21.6 QD2 LEU 123 - HB2 GLN 68 far 0 78 0 - 7.4-11.1 QD2 LEU 70 - HB3 GLU 128 far 0 52 0 - 7.8-11.4 QD2 LEU 98 - HB3 GLU 128 far 0 35 0 - 8.7-12.8 QD2 LEU 22 - HB3 GLU 102 far 0 39 0 - 9.0-33.7 QD1 LEU 22 - HB2 GLN 68 far 0 65 0 - 9.3-22.9 Violated in 8 structures by 0.25 A. Peak 11022 from aliabs.peaks (1.66, 2.32, 33.81 ppm; 4.80 A): 1 out of 10 assignments used, quality = 0.62: HB2 LEU 69 + HG3 GLN 68 OK 62 96 65 100 3.7-8.1 3.7/6922=60...(30) HD2 LYS 36 - HG3 GLN 68 poor 16 100 45 35 3.9-11.6 11023/1.8=9...(9) HD2 LYS 31 - HG3 GLN 68 far 15 99 15 - 1.9-16.4 HD3 LYS 36 - HG3 GLN 68 poor 13 100 35 36 4.1-11.4 ~11023=8, 11023/1.8=8...(9) HD3 LYS 31 - HG3 GLN 68 far 5 100 5 - 3.6-15.2 HD3 LYS 26 - HG3 GLN 68 far 0 100 0 - 6.5-23.3 HD2 LYS 26 - HG3 GLN 68 far 0 100 0 - 7.0-24.2 HD3 LYS 24 - HG3 GLN 68 far 0 98 0 - 7.8-21.7 HD2 LYS 24 - HG3 GLN 68 far 0 100 0 - 8.7-21.9 HD3 LYS 19 - HG3 GLN 68 far 0 93 0 - 9.6-29.4 Violated in 9 structures by 1.02 A. Peak 11023 from aliabs.peaks (1.67, 2.21, 33.81 ppm; 5.75 A): 1 out of 12 assignments used, quality = 0.61: HB2 LEU 69 + HG2 GLN 68 OK 61 76 80 100 3.0-7.8 3.7/2158=63...(33) HD2 LYS 36 - HG2 GLN 68 poor 16 97 40 42 3.7-10.2 11022/1.8=16...(7) HD3 LYS 36 - HG2 GLN 68 poor 14 96 35 42 3.9-10.8 11125/9481=14, ~11022=14...(6) HD3 LYS 31 - HG2 GLN 68 far 14 92 15 - 5.2-16.5 HD2 LYS 31 - HG2 GLN 68 far 13 87 15 - 3.5-17.6 HD3 LYS 24 - HG2 GLN 68 far 0 83 0 - 7.4-21.4 HD3 LYS 26 - HG2 GLN 68 far 0 97 0 - 8.0-22.4 HD2 LYS 24 - HG2 GLN 68 far 0 96 0 - 8.3-22.6 HD2 LYS 26 - HG2 GLN 68 far 0 93 0 - 8.6-23.3 HD3 LYS 19 - HG2 GLN 68 far 0 71 0 - 8.8-29.2 HB2 LEU 123 - HG2 GLN 68 far 0 73 0 - 9.8-17.5 HD2 LYS 19 - HG2 GLN 68 far 0 76 0 - 9.9-30.9 Violated in 7 structures by 0.59 A. Peak 11024 from aliabs.peaks (2.81, 2.21, 33.81 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.70: HB3 ASP 71 + HG2 GLN 68 OK 70 100 70 99 4.7-8.4 2129/2151=78...(14) HB3 ASP 64 - HG2 GLN 68 poor 16 100 40 40 4.8-8.8 9429/2065=16...(6) HB3 ASP 47 - HG2 GLN 68 far 0 63 0 - 9.6-15.6 Violated in 19 structures by 1.04 A. Peak 11025 from aliabs.peaks (2.82, 2.32, 33.81 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.31: HB3 ASP 71 + HG3 GLN 68 OK 31 90 35 97 5.0-7.5 2129/2123=64...(11) HB3 ASP 64 - HG3 GLN 68 poor 6 81 30 23 3.7-9.6 11024/1.8=10...(4) HB3 ASP 47 - HG3 GLN 68 far 0 97 0 - 9.5-14.4 Violated in 20 structures by 1.54 A. Peak 11026 from aliabs.peaks (2.81, 2.22, 28.25 ppm; 5.33 A): 3 out of 7 assignments used, quality = 0.99: HB3 ASP 71 + HB2 GLN 68 OK 95 100 95 100 4.9-8.1 2129/3.0=91, ~2128=67...(19) HB3 ASN 85 + HB2 GLN 82 OK 87 87 100 100 2.8-6.2 3.5/11238=66...(18) HB3 ASP 64 + HB2 GLN 68 OK 30 97 80 38 4.8-7.1 9429/2065=15...(5) HB2 ASN 121 - HB3 GLU 102 far 0 45 0 - 8.5-11.4 HB2 ASN 121 - HB3 GLU 128 far 0 45 0 - 8.6-12.4 HB3 ASN 120 - HB3 GLU 128 far 0 48 0 - 9.0-14.8 HB3 ASN 85 - HB3 GLU 128 far 0 50 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 11027 from aliabs.peaks (8.46, 2.32, 33.81 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: H LEU 70 + HG3 GLN 68 OK 100 100 100 100 4.6-7.1 6938/2123=97...(14) H ASP 47 - HG3 GLN 68 far 15 100 15 - 7.4-12.4 Violated in 5 structures by 0.03 A. Peak 11028 from aliabs.peaks (7.15, 4.35, 58.02 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.96: QD TYR 72 + HA LEU 69 OK 96 97 100 100 1.7-2.8 6983/6973=63...(32) HD2 HIS 67 - HA LEU 69 far 0 92 0 - 7.0-10.6 Violated in 0 structures by 0.00 A. Peak 11029 from aliabs.peaks (6.80, 4.35, 58.02 ppm; 5.44 A): 2 out of 3 assignments used, quality = 1.00: QE TYR 72 + HA LEU 69 OK 100 100 100 100 2.2-3.5 2.2/11028=96, 9540=75...(27) HE21 GLN 68 + HA LEU 69 OK 86 90 95 100 2.5-7.4 6923/2.9=47, ~6922=44...(23) HE21 GLN 127 - HA LEU 69 far 4 78 5 - 6.6-14.9 Violated in 0 structures by 0.00 A. Peak 11030 from aliabs.peaks (7.16, 2.16, 40.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.83: QD TYR 72 + HB3 LEU 69 OK 78 78 100 100 3.3-5.4 11028/3.0=92, ~11065=77...(52) HD2 HIS 67 + HB3 LEU 69 OK 24 100 35 68 7.2-11.0 11081/11099=30...(8) Violated in 0 structures by 0.00 A. Peak 11031 from aliabs.peaks (6.47, 0.74, 22.24 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.89: QE TYR 76 + QD2 LEU 43 OK 85 100 85 100 3.4-7.8 10555/11776=91...(18) QD TYR 76 + QD2 LEU 43 OK 31 57 85 63 4.4-8.3 9109/9129=31...(7) Violated in 3 structures by 0.21 A. Peak 11033 from aliabs.peaks (0.78, 4.35, 58.02 ppm; 5.10 A): 5 out of 9 assignments used, quality = 1.00: QD2 LEU 49 + HA LEU 69 OK 93 93 100 99 3.9-5.8 11061/3.9=59...(28) QD1 LEU 96 + HA LEU 69 OK 77 97 80 99 5.3-6.9 ~11805=63, 11812=58...(17) QD1 ILE 37 + HA LEU 69 OK 63 92 80 85 3.0-7.6 9024/11054=45...(11) QD1 ILE 32 + HA LEU 69 OK 60 92 70 93 4.5-9.3 10827=68, 11056/2.9=29...(16) QD1 LEU 70 + HA LEU 69 OK 43 60 75 96 4.8-7.1 2261/4.9=29, 2.1/2174=28...(22) QD2 LEU 122 - HA LEU 69 far 5 100 5 - 6.6-9.9 QD1 LEU 122 - HA LEU 69 far 4 76 5 - 6.4-10.8 QD1 LEU 53 - HA LEU 69 far 0 97 0 - 6.8-12.4 QG1 VAL 63 - HA LEU 69 far 0 100 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 11034 from aliabs.peaks (0.81, 1.65, 40.44 ppm; 4.75 A): 4 out of 9 assignments used, quality = 1.00: QD2 LEU 49 + HB2 LEU 69 OK 96 97 100 99 1.8-4.5 11061/3.0=40...(37) QD1 LEU 70 + HB2 LEU 69 OK 84 100 85 99 2.9-6.5 4.3/6941=63...(30) QD1 LEU 122 + HB2 LEU 69 OK 29 100 55 53 4.0-9.5 9487/11493=25...(18) QD2 LEU 122 + HB2 LEU 69 OK 22 78 70 39 4.2-7.6 11388/11493=17...(15) QD1 LEU 53 - HB2 LEU 69 poor 18 92 20 - 4.7-10.6 QG2 ILE 129 - HB2 LEU 69 poor 18 90 20 - 5.2-8.3 QG1 VAL 63 - HB2 LEU 69 far 0 68 0 - 7.5-10.0 QD1 LEU 103 - HB2 LEU 69 far 0 65 0 - 8.9-13.2 QD2 LEU 119 - HB2 LEU 69 far 0 85 0 - 8.9-16.4 Violated in 0 structures by 0.00 A. Peak 11035 from aliabs.peaks (0.78, 2.16, 40.44 ppm; 4.87 A): 5 out of 10 assignments used, quality = 0.98: QD2 LEU 49 + HB3 LEU 69 OK 80 81 100 100 1.9-4.1 11061/3.0=64...(39) QD1 LEU 96 + HB3 LEU 69 OK 65 100 65 100 4.4-7.3 ~11805=77, 11067/2.9=49...(18) QD1 ILE 32 + HB3 LEU 69 OK 50 99 55 93 4.3-10.3 10827/3.0=68...(18) QD2 LEU 96 + HB3 LEU 69 OK 26 65 40 99 5.2-8.7 11805/1.8=52, ~11040=36...(19) QD1 ILE 37 + HB3 LEU 69 OK 24 99 45 54 4.4-9.5 9025/9550=19, ~10919=12...(9) QD1 LEU 53 - HB3 LEU 69 far 13 89 15 - 4.9-10.7 QD2 LEU 122 - HB3 LEU 69 poor 13 97 40 33 4.7-8.6 9431/9443=9, ~11034=7...(10) QG1 VAL 93 - HB3 LEU 69 far 0 68 0 - 6.5-9.6 QG1 VAL 63 - HB3 LEU 69 far 0 99 0 - 7.7-9.7 QD2 LEU 119 - HB3 LEU 69 far 0 95 0 - 8.6-16.9 Violated in 0 structures by 0.00 A. Peak 11036 from aliabs.peaks (0.78, 1.51, 27.00 ppm; 3.78 A): 2 out of 10 assignments used, quality = 0.95: QD2 LEU 49 + HG LEU 69 OK 91 93 100 98 1.7-4.3 11061/2.1=58, 1574=34...(29) QD1 LEU 96 + HG LEU 69 OK 48 97 55 90 2.9-7.1 ~11805=35, 11040/2.1=26...(17) QD1 LEU 70 - HG LEU 69 poor 18 60 35 86 3.1-7.8 4.3/6943=33, 2.1/2205=21...(22) QD1 LEU 122 - HG LEU 69 far 11 76 15 - 3.7-8.5 QD2 LEU 122 - HG LEU 69 lone 6 100 35 18 4.5-8.9 11061/2.1=4, ~11034=3...(7) QD1 LEU 53 - HG LEU 69 far 0 97 0 - 5.6-10.1 QD1 ILE 32 - HG LEU 69 far 0 92 0 - 5.6-10.3 QD1 ILE 37 - HG LEU 69 far 0 92 0 - 5.7-10.2 QG1 VAL 63 - HG LEU 69 far 0 100 0 - 7.7-10.5 QD2 LEU 119 - HG LEU 69 far 0 99 0 - 8.4-14.7 Violated in 2 structures by 0.03 A. Peak 11037 from aliabs.peaks (0.76, 1.01, 23.36 ppm; 3.49 A): 2 out of 10 assignments used, quality = 0.80: QD2 LEU 96 + QD1 LEU 69 OK 57 99 60 96 2.2-7.7 11805/3.2=51...(23) QD1 LEU 96 + QD1 LEU 69 OK 53 87 65 93 1.8-5.9 11040/2.1=46...(22) QD2 LEU 43 - QD1 LEU 69 poor 19 97 20 - 4.2-8.2 QD1 ILE 37 - QD1 LEU 69 poor 15 95 30 54 3.7-8.2 9024/11080=24...(7) QG1 VAL 93 - QD1 LEU 69 far 15 100 15 - 4.3-7.3 QD1 ILE 32 - QD1 LEU 69 poor 15 95 25 62 3.8-10.0 10827/3.9=27...(12) HG12 ILE 129 - QD1 LEU 69 far 0 98 0 - 5.2-8.4 QG1 VAL 63 - QD1 LEU 69 far 0 65 0 - 6.6-9.5 QD2 LEU 103 - QD1 LEU 69 far 0 78 0 - 7.3-12.2 QD1 LEU 103 - QD1 LEU 69 far 0 68 0 - 9.5-13.0 Violated in 10 structures by 0.50 A. Peak 11038 from aliabs.peaks (0.66, 1.01, 23.36 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.69: QD1 ILE 129 + QD1 LEU 69 OK 69 93 75 98 2.9-5.8 11713/2.1=51...(21) QD2 LEU 100 - QD1 LEU 69 far 0 93 0 - 5.4-8.7 QD2 LEU 62 - QD1 LEU 69 far 0 96 0 - 5.5-8.6 QD1 LEU 43 - QD1 LEU 69 far 0 95 0 - 6.1-10.0 Violated in 12 structures by 0.70 A. Peak 11039 from aliabs.peaks (0.57, 1.01, 23.36 ppm; 3.37 A): 1 out of 2 assignments used, quality = 0.80: QD2 LEU 42 + QD1 LEU 69 OK 80 95 85 100 1.8-7.3 2.1/9078=40...(42) QD1 LEU 100 - QD1 LEU 69 far 7 65 10 - 4.0-7.7 Violated in 11 structures by 0.68 A. Peak 11040 from aliabs.peaks (0.76, 0.87, 27.95 ppm; 3.01 A): 2 out of 11 assignments used, quality = 0.45: QD1 LEU 96 + QD2 LEU 69 OK 30 93 40 80 2.0-6.4 11067/2.1=24...(18) QD2 LEU 96 + QD2 LEU 69 OK 21 97 25 86 3.8-7.4 11805/3.0=38...(20) QD1 ILE 37 - QD2 LEU 69 far 15 98 15 - 3.4-9.0 QD2 LEU 122 - QD2 LEU 69 poor 13 65 20 - 3.0-7.6 QD1 ILE 32 - QD2 LEU 69 far 5 98 5 - 3.3-8.9 QG1 VAL 93 - QD2 LEU 69 far 5 98 5 - 4.4-7.7 QD2 LEU 43 - QD2 LEU 69 far 5 92 5 - 4.5-7.6 HG12 ILE 129 - QD2 LEU 69 far 0 95 0 - 5.6-9.1 QD2 LEU 103 - QD2 LEU 69 far 0 68 0 - 6.5-11.1 QG1 VAL 63 - QD2 LEU 69 far 0 76 0 - 6.8-9.4 QD1 LEU 103 - QD2 LEU 69 far 0 78 0 - 8.6-12.9 Violated in 19 structures by 1.28 A. Peak 11041 from aliabs.peaks (0.66, 0.87, 27.95 ppm; 3.47 A): 2 out of 5 assignments used, quality = 0.77: QD1 ILE 129 + QD2 LEU 69 OK 58 97 60 98 3.1-6.4 11038/2.1=62...(20) QD1 LEU 42 + QD2 LEU 69 OK 45 65 70 99 1.8-6.8 2.1/11042=46, ~11039=38...(34) QD2 LEU 62 - QD2 LEU 69 far 9 90 10 - 4.3-8.5 QD2 LEU 100 - QD2 LEU 69 far 4 87 5 - 4.9-8.8 QD1 LEU 43 - QD2 LEU 69 far 0 89 0 - 6.3-9.2 Violated in 14 structures by 0.57 A. Peak 11042 from aliabs.peaks (0.56, 0.87, 27.95 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.85: QD2 LEU 42 + QD2 LEU 69 OK 85 100 85 100 2.2-7.4 11066/2.1=85...(36) Violated in 9 structures by 0.61 A. Peak 11043 from aliabs.peaks (0.30, 0.87, 27.95 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.88: QG2 VAL 93 + QD2 LEU 69 OK 88 99 90 99 3.4-7.9 10487/11041=51...(19) Violated in 16 structures by 0.75 A. Peak 11044 from aliabs.peaks (1.22, 0.87, 27.95 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.93: QG2 THR 65 + QD2 LEU 69 OK 93 98 95 100 2.1-6.0 11047/2.1=77...(23) QG2 THR 54 - QD2 LEU 69 far 0 73 0 - 7.8-13.2 HG12 ILE 80 - QD2 LEU 69 far 0 99 0 - 8.2-13.6 Violated in 12 structures by 0.47 A. Peak 11045 from aliabs.peaks (1.35, 0.87, 27.95 ppm; 3.51 A): 2 out of 5 assignments used, quality = 0.98: QB ALA 46 + QD2 LEU 69 OK 97 97 100 100 1.8-4.2 11063/2.1=57...(30) HB2 LEU 42 + QD2 LEU 69 OK 22 73 30 99 3.8-8.0 3.1/11042=39, ~11039=27...(36) QB ALA 29 - QD2 LEU 69 far 9 60 15 - 4.5-10.9 HB3 LEU 100 - QD2 LEU 69 far 0 73 0 - 5.2-9.8 QB ALA 21 - QD2 LEU 69 far 0 100 0 - 7.4-20.8 Violated in 1 structures by 0.03 A. Peak 11046 from aliabs.peaks (1.33, 1.01, 23.36 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.95: QB ALA 46 + QD1 LEU 69 OK 95 96 100 100 1.7-4.6 11060/2.1=50...(27) QB ALA 21 - QD1 LEU 69 far 0 85 0 - 7.2-21.0 Violated in 4 structures by 0.09 A. Peak 11047 from aliabs.peaks (1.21, 1.01, 23.36 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.54: QG2 THR 65 + QD1 LEU 69 OK 54 90 60 99 4.0-6.8 11044/2.1=66...(18) QG2 VAL 77 - QD1 LEU 69 far 0 73 0 - 7.1-9.8 HG12 ILE 80 - QD1 LEU 69 far 0 100 0 - 7.9-12.2 Violated in 17 structures by 1.23 A. Peak 11048 from aliabs.peaks (1.94, 0.87, 27.95 ppm; 4.69 A): 1 out of 7 assignments used, quality = 0.44: HB3 LEU 49 + QD2 LEU 69 OK 44 63 70 99 3.5-7.8 3.2/11061=61...(26) HB ILE 37 - QD2 LEU 69 poor 14 68 20 - 5.2-11.0 HG LEU 53 - QD2 LEU 69 poor 7 99 25 30 5.2-11.8 1667/11061=11...(6) HB2 GLU 30 - QD2 LEU 69 far 0 100 0 - 8.4-16.0 HB2 GLN 27 - QD2 LEU 69 far 0 78 0 - 8.8-15.6 HB2 LYS 95 - QD2 LEU 69 far 0 99 0 - 8.9-12.0 HB3 LYS 95 - QD2 LEU 69 far 0 100 0 - 9.3-12.9 Violated in 13 structures by 0.84 A. Peak 11049 from aliabs.peaks (1.92, 1.01, 23.36 ppm; 5.17 A): 1 out of 7 assignments used, quality = 0.60: HB3 LEU 49 + QD1 LEU 69 OK 60 100 60 100 4.7-7.6 10960/11047=62...(28) HG LEU 53 - QD1 LEU 69 far 9 87 10 - 6.2-12.0 HB3 LEU 48 - QD1 LEU 69 far 7 73 10 - 6.3-9.5 HB2 LYS 95 - QD1 LEU 69 far 0 85 0 - 8.1-12.9 HB2 GLU 40 - QD1 LEU 69 far 0 85 0 - 8.1-13.1 HB3 LYS 95 - QD1 LEU 69 far 0 78 0 - 8.2-13.2 HB2 ARG 90 - QD1 LEU 69 far 0 100 0 - 9.6-12.9 Violated in 18 structures by 1.28 A. Peak 11050 from aliabs.peaks (2.93, 0.87, 27.95 ppm; 5.59 A): 1 out of 11 assignments used, quality = 1.00: HB2 CYS 45 + QD2 LEU 69 OK 100 100 100 100 1.8-6.2 11062/2.1=99, ~11061=82...(27) HE2 LYS 36 - QD2 LEU 69 poor 7 68 40 24 5.3-11.8 11127/11068=9...(6) HE3 LYS 36 - QD2 LEU 69 poor 6 68 35 24 4.1-12.8 11127/11068=9...(6) HE2 LYS 31 - QD2 LEU 69 far 4 71 5 - 6.9-16.6 HE3 LYS 26 - QD2 LEU 69 far 3 63 5 - 6.2-20.2 HE2 LYS 26 - QD2 LEU 69 far 0 71 0 - 7.2-20.0 HE3 LYS 31 - QD2 LEU 69 far 0 85 0 - 8.4-16.7 HE2 LYS 39 - QD2 LEU 69 far 0 100 0 - 8.8-13.3 HE3 LYS 39 - QD2 LEU 69 far 0 100 0 - 9.3-13.9 HE3 LYS 24 - QD2 LEU 69 far 0 95 0 - 9.7-21.5 HE2 LYS 24 - QD2 LEU 69 far 0 85 0 - 10.0-22.1 Violated in 3 structures by 0.06 A. Peak 11051 from aliabs.peaks (3.15, 0.87, 27.95 ppm; 5.70 A): 2 out of 4 assignments used, quality = 0.67: HB3 CYS 45 + QD2 LEU 69 OK 57 57 100 100 1.9-5.2 ~11062=88, ~9160=82...(27) HB3 TYR 76 + QD2 LEU 69 OK 22 93 30 80 5.2-9.4 9096/11042=42...(5) HB2 HIS 6 - QD2 LEU 69 far 0 97 0 - 9.6-44.8 HB3 HIS 3 - QD2 LEU 69 far 0 93 0 - 9.7-51.0 Violated in 0 structures by 0.00 A. Peak 11052 from aliabs.peaks (3.44, 0.87, 27.95 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.72: HA VAL 126 + QD2 LEU 69 OK 72 100 75 96 3.2-6.5 9187/11060=40, ~11069=38...(17) HA ILE 129 - QD2 LEU 69 far 0 90 0 - 6.1-9.4 HA VAL 77 - QD2 LEU 69 far 0 96 0 - 7.5-12.5 Violated in 10 structures by 0.57 A. Peak 11053 from aliabs.peaks (3.63, 0.87, 27.95 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.96: HA2 GLY 66 + QD2 LEU 69 OK 87 100 90 96 1.9-6.1 11058/2.1=42...(26) HA3 GLY 66 + QD2 LEU 69 OK 67 100 70 95 3.4-7.3 ~11058=34, 9208/11061=20...(26) Violated in 7 structures by 0.31 A. Peak 11054 from aliabs.peaks (3.89, 0.87, 27.95 ppm; 3.65 A): 2 out of 9 assignments used, quality = 1.00: HA ALA 46 + QD2 LEU 69 OK 100 100 100 100 1.7-4.0 9174=67, 2.1/11060=59...(26) HA LEU 70 + QD2 LEU 69 OK 66 97 70 98 3.3-5.8 2229=36, 10876/11042=32...(26) HB3 SER 50 - QD2 LEU 69 far 0 95 0 - 5.6-9.3 HA ALA 41 - QD2 LEU 69 far 0 78 0 - 5.7-10.2 HA3 GLY 75 - QD2 LEU 69 far 0 100 0 - 8.3-12.1 HB2 SER 33 - QD2 LEU 69 far 0 92 0 - 8.7-14.3 HA2 GLY 2 - QD2 LEU 69 far 0 100 0 - 9.2-54.8 HB2 SER 94 - QD2 LEU 69 far 0 99 0 - 9.7-13.9 HB2 SER 107 - QD2 LEU 69 far 0 68 0 - 9.9-16.7 Violated in 2 structures by 0.00 A. Peak 11055 from aliabs.peaks (4.07, 0.87, 27.95 ppm; 4.63 A): 1 out of 9 assignments used, quality = 0.49: HB THR 65 + QD2 LEU 69 OK 49 99 50 99 4.2-8.2 2.1/11044=79, ~11047=56...(16) HA GLU 44 - QD2 LEU 69 far 9 60 15 - 5.7-8.6 HA LEU 96 - QD2 LEU 69 far 9 89 10 - 5.7-9.1 HB3 SER 74 - QD2 LEU 69 far 5 97 5 - 5.4-10.5 HA LEU 48 - QD2 LEU 69 far 3 57 5 - 5.7-9.5 HB2 SER 74 - QD2 LEU 69 far 0 92 0 - 6.8-10.6 HA PHE 89 - QD2 LEU 69 far 0 92 0 - 7.0-11.3 HA ALA 92 - QD2 LEU 69 far 0 90 0 - 7.9-11.4 HA GLN 104 - QD2 LEU 69 far 0 87 0 - 9.4-16.1 Violated in 19 structures by 1.73 A. Peak 11056 from aliabs.peaks (4.10, 1.01, 23.36 ppm; 4.51 A): 1 out of 9 assignments used, quality = 0.57: HA CYS 45 + QD1 LEU 69 OK 57 96 60 100 4.0-7.7 3.0/11062=75...(23) HA LEU 49 - QD1 LEU 69 far 0 100 0 - 6.1-8.8 HA GLN 101 - QD1 LEU 69 far 0 100 0 - 7.0-12.2 HA PHE 89 - QD1 LEU 69 far 0 89 0 - 7.2-10.5 HA LEU 48 - QD1 LEU 69 far 0 100 0 - 7.5-10.6 HA ILE 32 - QD1 LEU 69 far 0 100 0 - 7.5-12.4 HA LEU 98 - QD1 LEU 69 far 0 100 0 - 8.3-14.5 HA ILE 80 - QD1 LEU 69 far 0 78 0 - 8.7-11.7 HA GLN 104 - QD1 LEU 69 far 0 93 0 - 9.1-15.9 Violated in 18 structures by 1.18 A. Peak 11057 from aliabs.peaks (3.88, 1.01, 23.36 ppm; 3.85 A): 2 out of 10 assignments used, quality = 0.99: HA LEU 70 + QD1 LEU 69 OK 94 100 95 99 2.0-5.7 2.9/6944=43, 4.9/2208=36...(27) HA ALA 46 + QD1 LEU 69 OK 89 93 95 100 1.8-5.4 2.1/11046=80...(24) HA LEU 123 - QD1 LEU 69 far 7 65 10 - 4.9-8.0 HB3 SER 50 - QD1 LEU 69 far 0 100 0 - 6.2-10.5 HA3 GLY 75 - QD1 LEU 69 far 0 92 0 - 8.6-10.4 HD2 PRO 81 - QD1 LEU 69 far 0 68 0 - 8.9-12.5 HB2 SER 94 - QD1 LEU 69 far 0 81 0 - 9.1-13.9 HB2 SER 33 - QD1 LEU 69 far 0 60 0 - 9.3-13.5 HA LYS 86 - QD1 LEU 69 far 0 98 0 - 9.9-12.9 HA2 GLY 2 - QD1 LEU 69 far 0 87 0 - 9.9-55.4 Violated in 4 structures by 0.05 A. Peak 11058 from aliabs.peaks (3.64, 1.01, 23.36 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.96: HA2 GLY 66 + QD1 LEU 69 OK 94 97 100 97 2.9-6.0 11053/2.1=43, ~11053=26...(24) HA3 GLY 66 + QD1 LEU 69 OK 43 99 45 96 2.7-7.3 ~11053=34, 11053/2.1=33...(23) Violated in 10 structures by 0.26 A. Peak 11059 from aliabs.peaks (3.46, 1.01, 23.36 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.97: HA LEU 42 + QD1 LEU 69 OK 93 98 95 100 1.9-6.6 9072=68, 3.9/11039=58...(21) HA VAL 126 + QD1 LEU 69 OK 61 71 95 90 2.4-5.6 3.0/11069=54...(15) HA ILE 129 - QD1 LEU 69 far 0 99 0 - 5.8-8.9 HA VAL 77 - QD1 LEU 69 far 0 97 0 - 8.0-10.9 Violated in 1 structures by 0.01 A. Peak 11060 from aliabs.peaks (3.34, 1.01, 23.36 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.98: HB3 TYR 72 + QD1 LEU 69 OK 95 100 95 100 2.5-6.7 2.7/11064=65...(25) HB3 CYS 73 + QD1 LEU 69 OK 54 60 95 94 1.9-7.1 3.8/11084=41...(23) HB2 HIS 67 - QD1 LEU 69 far 0 100 0 - 6.0-8.8 HA VAL 63 - QD1 LEU 69 far 0 73 0 - 6.4-10.1 HB2 PHE 89 - QD1 LEU 69 far 0 81 0 - 8.0-11.6 HB3 PHE 89 - QD1 LEU 69 far 0 100 0 - 8.0-11.2 Violated in 3 structures by 0.05 A. Peak 11061 from aliabs.peaks (3.10, 1.01, 23.36 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.86: HB3 CYS 45 + QD1 LEU 69 OK 86 90 95 100 2.0-5.7 1.8/11062=84...(24) Violated in 10 structures by 0.37 A. Peak 11062 from aliabs.peaks (2.94, 1.01, 23.36 ppm; 3.81 A): 1 out of 9 assignments used, quality = 0.70: HB2 CYS 45 + QD1 LEU 69 OK 70 100 70 100 1.8-6.3 9160=69, 1.8/11061=66...(22) HE3 LYS 36 - QD1 LEU 69 far 8 78 10 - 3.8-12.4 HE2 LYS 36 - QD1 LEU 69 far 8 78 10 - 3.9-11.3 HE2 LYS 31 - QD1 LEU 69 far 0 81 0 - 7.7-15.2 HE3 LYS 26 - QD1 LEU 69 far 0 73 0 - 8.1-18.4 HE2 LYS 26 - QD1 LEU 69 far 0 81 0 - 8.1-19.0 HE2 LYS 39 - QD1 LEU 69 far 0 98 0 - 8.3-13.5 HE3 LYS 39 - QD1 LEU 69 far 0 98 0 - 8.5-14.3 HE3 LYS 31 - QD1 LEU 69 far 0 92 0 - 8.9-15.7 Violated in 11 structures by 0.82 A. Peak 11063 from aliabs.peaks (3.33, 0.87, 27.95 ppm; 5.78 A): 2 out of 5 assignments used, quality = 0.98: HB3 TYR 72 + QD2 LEU 69 OK 90 95 95 100 2.3-7.8 9514/2.1=77...(24) HB3 CYS 73 + QD2 LEU 69 OK 82 87 95 99 2.8-7.8 11073/2.1=45, ~11071=41...(23) HB2 HIS 67 - QD2 LEU 69 poor 18 92 20 - 6.3-8.7 HB2 PHE 89 - QD2 LEU 69 far 0 97 0 - 8.1-12.7 HB3 PHE 89 - QD2 LEU 69 far 0 97 0 - 8.2-12.2 Violated in 1 structures by 0.04 A. Peak 11064 from aliabs.peaks (7.13, 1.01, 23.36 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 72 + QD1 LEU 69 OK 100 100 100 100 1.8-5.3 2.2/11065=57...(34) HD2 HIS 67 - QD1 LEU 69 far 0 65 0 - 6.3-10.4 Violated in 7 structures by 0.19 A. Peak 11065 from aliabs.peaks (6.81, 1.01, 23.36 ppm; 4.76 A): 1 out of 4 assignments used, quality = 1.00: QE TYR 72 + QD1 LEU 69 OK 100 100 100 100 1.8-6.2 2.2/11064=86...(27) HE21 GLN 68 - QD1 LEU 69 far 15 99 15 - 4.5-8.1 HE21 GLN 127 - QD1 LEU 69 lone 1 93 30 2 3.8-11.0 HE21 GLN 101 - QD1 LEU 69 far 0 93 0 - 9.7-15.8 Violated in 7 structures by 0.34 A. Peak 11066 from aliabs.peaks (8.84, 1.01, 23.36 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.97: H CYS 73 + QD1 LEU 69 OK 97 97 100 100 3.0-5.4 9563=96, 3.5/9522=91...(33) Violated in 0 structures by 0.00 A. Peak 11067 from aliabs.peaks (7.66, 1.01, 23.36 ppm; 5.99 A): 1 out of 2 assignments used, quality = 0.60: H CYS 45 + QD1 LEU 69 OK 60 63 95 100 3.7-8.1 3.2/11083=95...(24) H GLN 101 - QD1 LEU 69 far 6 60 10 - 6.0-11.7 Violated in 7 structures by 0.20 A. Peak 11068 from aliabs.peaks (7.12, 0.87, 27.95 ppm; 5.69 A): 1 out of 1 assignment used, quality = 0.90: QD TYR 72 + QD2 LEU 69 OK 90 90 100 100 1.8-5.5 11080/2.1=99...(33) Violated in 0 structures by 0.00 A. Peak 11069 from aliabs.peaks (6.79, 0.87, 27.95 ppm; 6.16 A): 2 out of 3 assignments used, quality = 0.99: QE TYR 72 + QD2 LEU 69 OK 97 97 100 100 1.9-6.1 2.2/11068=88, ~11064=86...(23) HE21 GLN 68 + QD2 LEU 69 OK 70 78 90 99 1.9-7.9 6923/4.9=42, ~11022=37...(16) HE21 GLN 127 - QD2 LEU 69 lone 3 63 50 11 1.8-10.4 10430/3941=2...(5) Violated in 0 structures by 0.00 A. Peak 11070 from aliabs.peaks (4.33, 0.74, 22.24 ppm; 4.59 A): 2 out of 9 assignments used, quality = 0.94: HA GLN 134 + QD2 LEU 43 OK 87 87 100 100 2.1-5.1 3.0/11074=63...(26) HA ASP 131 + QD2 LEU 43 OK 57 65 95 92 2.8-6.6 4.9/11747=49...(13) HA ASP 47 - QD2 LEU 43 poor 20 100 20 - 4.5-7.9 HA TYR 76 - QD2 LEU 43 far 0 63 0 - 7.1-11.5 HA PRO 81 - QD2 LEU 43 far 0 99 0 - 7.1-13.8 HA LEU 69 - QD2 LEU 43 far 0 95 0 - 7.4-8.6 HA CYS 125 - QD2 LEU 43 far 0 81 0 - 9.4-11.1 HA2 GLY 75 - QD2 LEU 43 far 0 97 0 - 9.4-13.5 HA LYS 24 - QD2 LEU 43 far 0 99 0 - 9.6-25.5 Violated in 0 structures by 0.00 A. Peak 11071 from aliabs.peaks (1.34, 0.74, 22.24 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + QD2 LEU 43 OK 100 100 100 100 2.9-4.5 9176=100, 9177/9129=46...(20) Violated in 18 structures by 0.64 A. Peak 11072 from aliabs.peaks (1.04, 0.74, 22.24 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + QD2 LEU 43 OK 100 100 100 100 1.6-3.8 11776=100, 2.1/11777=73...(40) QG1 VAL 77 - QD2 LEU 43 far 0 89 0 - 8.5-11.5 Violated in 3 structures by 0.04 A. Peak 11073 from aliabs.peaks (1.16, 0.74, 22.24 ppm; 3.67 A): 3 out of 7 assignments used, quality = 0.96: HG3 LYS 39 + QD2 LEU 43 OK 84 99 85 99 2.7-6.0 11901/2.1=66...(30) HG2 LYS 39 + QD2 LEU 43 OK 61 83 75 98 2.3-6.1 ~11901=46, 11806/2.1=30...(31) QG2 VAL 132 + QD2 LEU 43 OK 40 92 55 80 4.5-6.4 4.4/11075=30...(13) QB ALA 41 - QD2 LEU 43 far 8 81 10 - 5.1-7.0 QG1 VAL 132 - QD2 LEU 43 far 0 65 0 - 5.6-7.4 QG2 THR 25 - QD2 LEU 43 far 0 78 0 - 6.4-21.8 HG12 ILE 32 - QD2 LEU 43 far 0 100 0 - 9.5-17.7 Violated in 8 structures by 0.18 A. Peak 11074 from aliabs.peaks (2.33, 0.74, 22.24 ppm; 4.66 A): 1 out of 8 assignments used, quality = 1.00: HB3 GLN 134 + QD2 LEU 43 OK 100 100 100 100 1.7-5.1 2.9/9124=77...(30) HG3 GLN 27 - QD2 LEU 43 far 5 96 5 - 5.8-21.5 HG2 GLU 44 - QD2 LEU 43 far 0 87 0 - 6.5-8.1 HG2 GLN 27 - QD2 LEU 43 far 0 97 0 - 6.6-22.5 HG2 GLN 127 - QD2 LEU 43 far 0 98 0 - 6.7-10.5 HG2 GLU 128 - QD2 LEU 43 far 0 99 0 - 7.3-10.2 HB VAL 77 - QD2 LEU 43 far 0 99 0 - 8.4-11.8 HG3 GLN 68 - QD2 LEU 43 far 0 92 0 - 9.3-13.4 Violated in 1 structures by 0.02 A. Peak 11075 from aliabs.peaks (8.13, 0.74, 22.24 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.99: H VAL 133 + QD2 LEU 43 OK 99 99 100 100 3.6-5.0 7935/11776=82...(21) Violated in 4 structures by 0.05 A. Peak 11076 from aliabs.peaks (8.05, 0.74, 22.24 ppm; 5.59 A): 1 out of 4 assignments used, quality = 0.93: H SER 130 + QD2 LEU 43 OK 93 93 100 100 4.2-5.3 2.9/11747=95...(24) H LEU 48 - QD2 LEU 43 far 15 100 15 - 6.3-8.7 H ALA 52 - QD2 LEU 43 far 0 76 0 - 9.8-13.0 H CYS 125 - QD2 LEU 43 far 0 99 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 11077 from aliabs.peaks (8.51, 0.74, 22.24 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.71: H ALA 46 + QD2 LEU 43 OK 71 71 100 100 4.4-5.9 3.1/9176=97...(11) H HIS 4 - QD2 LEU 43 far 0 100 0 - 7.9-54.9 Violated in 16 structures by 0.21 A. Peak 11078 from aliabs.peaks (7.17, 1.71, 41.52 ppm; 6.18 A): 2 out of 2 assignments used, quality = 0.99: HD2 HIS 67 + HB3 LEU 70 OK 94 99 95 100 2.9-8.7 11080/3.2=90...(12) HD2 HIS 67 + HB2 LEU 70 OK 86 91 95 100 2.8-8.0 11080/3.2=90...(13) Violated in 2 structures by 0.06 A. Peak 11079 from aliabs.peaks (7.17, 3.88, 58.34 ppm; 5.88 A): 1 out of 1 assignment used, quality = 0.70: HD2 HIS 67 + HA LEU 70 OK 70 100 70 100 5.6-10.0 11081/2269=91...(7) Violated in 17 structures by 1.10 A. Peak 11080 from aliabs.peaks (7.16, 0.81, 25.48 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.89: HD2 HIS 67 + QD1 LEU 70 OK 89 100 90 99 2.3-7.5 11081/2.1=72...(12) HD2 HIS 67 - QD1 LEU 122 far 14 95 15 - 5.1-9.1 QD TYR 72 - QD1 LEU 70 far 4 73 5 - 5.6-7.8 QD TYR 72 - QD1 LEU 122 far 0 65 0 - 7.5-11.6 Violated in 10 structures by 0.56 A. Peak 11081 from aliabs.peaks (7.16, 0.86, 25.01 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.74: HD2 HIS 67 + QD2 LEU 70 OK 74 100 75 99 1.9-7.4 11096/2.1=77...(8) QD TYR 72 - QD2 LEU 70 poor 15 73 20 - 5.4-7.6 Violated in 14 structures by 0.99 A. Peak 11082 from aliabs.peaks (8.28, 0.81, 25.48 ppm; 5.05 A): 7 out of 16 assignments used, quality = 1.00: H VAL 126 + QD1 LEU 122 OK 93 94 100 99 2.9-5.6 10405/2.1=42...(26) H LEU 69 + QD1 LEU 70 OK 90 92 100 98 4.2-6.4 6916/11102=63...(17) H LEU 96 + QD1 LEU 70 OK 88 99 90 99 4.2-7.2 11355/2.1=47...(31) H SER 99 + QD1 LEU 70 OK 84 99 90 94 4.7-7.6 7374/10000=31...(25) H LEU 123 + QD1 LEU 122 OK 82 82 100 100 1.5-3.8 3.3/7732=40, 7744/3.1=35...(43) H VAL 126 + QD1 LEU 70 OK 70 100 80 87 3.8-8.6 4.7/9498=28, 4.7/9490=21...(22) H SER 99 + QD1 LEU 122 OK 63 92 70 99 4.7-7.8 3.7/11702=42...(29) H LEU 123 - QD1 LEU 70 poor 19 90 35 62 5.1-10.2 4.3/3872=17, 4.3/3895=14...(16) H LEU 96 - QD1 LEU 122 poor 18 92 20 - 4.3-8.0 H LEU 69 - QD1 LEU 122 poor 18 83 35 61 5.0-9.6 11068/11110=26...(17) H LEU 49 - QD1 LEU 122 far 8 80 10 - 6.2-9.4 H GLU 30 - QD1 LEU 70 far 5 90 5 - 6.4-16.7 H LEU 49 - QD1 LEU 70 far 0 89 0 - 7.0-13.2 H ASP 131 - QD1 LEU 70 far 0 97 0 - 8.8-13.1 H ASP 131 - QD1 LEU 122 far 0 89 0 - 9.1-12.1 H LEU 43 - QD1 LEU 70 far 0 100 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 11083 from aliabs.peaks (8.27, 0.86, 25.01 ppm; 4.07 A): 2 out of 8 assignments used, quality = 0.86: H LEU 96 + QD2 LEU 70 OK 78 98 80 99 4.3-7.0 11425/9485=41, 11355=41...(33) H VAL 126 + QD2 LEU 70 OK 38 95 55 74 3.7-7.5 11327/9485=14...(22) H SER 99 - QD2 LEU 70 poor 18 71 30 85 4.9-7.7 3.4/2268=21...(23) H ALA 29 - QD2 LEU 70 far 4 87 5 - 4.5-15.6 H LEU 123 - QD2 LEU 70 far 0 100 0 - 5.9-9.3 H GLU 30 - QD2 LEU 70 far 0 100 0 - 6.3-15.3 H ASP 131 - QD2 LEU 70 far 0 99 0 - 8.3-12.8 H LEU 43 - QD2 LEU 70 far 0 81 0 - 9.4-12.9 Violated in 16 structures by 0.65 A. Peak 11084 from aliabs.peaks (7.72, 0.86, 25.01 ppm; 5.49 A): 2 out of 2 assignments used, quality = 0.88: H LEU 98 + QD2 LEU 70 OK 67 71 95 100 4.5-7.1 3.6/11090=92...(20) H LYS 95 + QD2 LEU 70 OK 64 87 75 98 5.6-8.6 3.1/11083=52...(19) Violated in 11 structures by 0.22 A. Peak 11085 from aliabs.peaks (7.74, 0.81, 25.48 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.98: H LEU 98 + QD1 LEU 70 OK 97 97 100 100 4.4-7.0 3.6/10000=93...(19) H LEU 98 + QD1 LEU 122 OK 48 89 75 71 5.7-8.9 7357/11479=20...(11) H GLU 55 - QD1 LEU 122 lone 2 85 30 7 7.6-11.5 9267/1650=2, 6692/1659=2 Violated in 0 structures by 0.00 A. Peak 11086 from aliabs.peaks (8.63, 0.86, 25.01 ppm; 4.94 A): 0 out of 1 assignment used, quality = 0.00: H SER 50 - QD2 LEU 70 far 0 65 0 - 7.7-13.5 Violated in 20 structures by 4.82 A. Peak 11087 from aliabs.peaks (8.60, 0.81, 25.48 ppm; 5.59 A): 0 out of 0 assignments used, quality = 0.00: Peak 11088 from aliabs.peaks (4.22, 0.81, 25.48 ppm; 3.76 A): 1 out of 20 assignments used, quality = 0.96: HA HIS 67 + QD1 LEU 70 OK 96 96 100 100 2.0-4.9 9462=89, 11089/2.1=67...(24) HA HIS 67 - QD1 LEU 122 far 13 88 15 - 3.2-7.7 HA SER 99 - QD1 LEU 122 far 5 94 5 - 5.0-8.1 HA SER 94 - QD1 LEU 70 far 4 85 5 - 5.0-7.7 HA ALA 29 - QD1 LEU 70 far 0 99 0 - 5.5-14.8 HA SER 124 - QD1 LEU 122 far 0 65 0 - 5.7-7.8 HA GLN 27 - QD1 LEU 122 far 0 55 0 - 6.1-18.8 HA GLU 30 - QD1 LEU 70 far 0 100 0 - 6.1-15.9 HA SER 99 - QD1 LEU 70 far 0 100 0 - 6.4-9.4 HA GLN 27 - QD1 LEU 70 far 0 63 0 - 6.5-18.2 HA ALA 28 - QD1 LEU 70 far 0 71 0 - 6.7-18.3 HA ALA 34 - QD1 LEU 70 far 0 100 0 - 6.7-15.1 HA SER 94 - QD1 LEU 122 far 0 76 0 - 7.3-11.1 HA SER 124 - QD1 LEU 70 far 0 73 0 - 7.4-12.5 HA ALA 29 - QD1 LEU 122 far 0 92 0 - 8.4-15.0 HA GLU 128 - QD1 LEU 122 far 0 58 0 - 8.7-11.3 HA SER 51 - QD1 LEU 122 far 0 95 0 - 8.8-12.1 HA GLU 128 - QD1 LEU 70 far 0 65 0 - 8.9-13.3 HA ALA 28 - QD1 LEU 122 far 0 62 0 - 9.7-15.6 HA GLU 30 - QD1 LEU 122 far 0 94 0 - 9.8-16.1 Violated in 4 structures by 0.09 A. Peak 11089 from aliabs.peaks (4.21, 0.86, 25.01 ppm; 3.78 A): 1 out of 8 assignments used, quality = 0.99: HA HIS 67 + QD2 LEU 70 OK 99 100 100 100 1.9-5.0 9462/2.1=71...(24) HA SER 94 - QD2 LEU 70 far 7 68 10 - 4.8-8.1 HA ALA 29 - QD2 LEU 70 far 0 92 0 - 5.8-13.7 HA GLU 30 - QD2 LEU 70 far 0 100 0 - 5.9-15.2 HA SER 99 - QD2 LEU 70 far 0 96 0 - 6.4-9.0 HA ALA 34 - QD2 LEU 70 far 0 100 0 - 8.2-14.8 HA GLU 128 - QD2 LEU 70 far 0 83 0 - 8.6-12.9 HB THR 25 - QD2 LEU 70 far 0 76 0 - 9.7-19.9 Violated in 9 structures by 0.17 A. Peak 11090 from aliabs.peaks (3.76, 0.86, 25.01 ppm; 3.46 A): 1 out of 5 assignments used, quality = 0.99: HA GLU 97 + QD2 LEU 70 OK 99 100 100 100 1.7-4.3 10000/2.1=63...(31) HB2 SER 99 - QD2 LEU 70 far 0 100 0 - 5.3-8.5 HA SER 130 - QD2 LEU 70 far 0 98 0 - 7.6-11.8 HB3 SER 130 - QD2 LEU 70 far 0 99 0 - 7.6-12.7 HA LEU 43 - QD2 LEU 70 far 0 95 0 - 8.6-12.9 Violated in 10 structures by 0.24 A. Peak 11091 from aliabs.peaks (3.76, 0.81, 25.48 ppm; 3.68 A): 2 out of 10 assignments used, quality = 1.00: HA GLU 97 + QD1 LEU 70 OK 100 100 100 100 1.8-4.3 10000=93, 11090/2.1=74...(35) HB2 SER 99 + QD1 LEU 122 OK 56 94 60 99 3.8-6.7 11479=50, 1.8/11702=39...(40) HA GLU 97 - QD1 LEU 122 far 14 95 15 - 3.4-7.6 HB2 SER 99 - QD1 LEU 70 far 0 100 0 - 5.3-9.3 HA SER 130 - QD1 LEU 70 far 0 98 0 - 8.0-12.1 HB3 SER 130 - QD1 LEU 70 far 0 99 0 - 8.1-12.6 HA LEU 43 - QD1 LEU 70 far 0 95 0 - 8.6-12.6 HB3 SER 130 - QD1 LEU 122 far 0 92 0 - 8.6-11.2 HA LEU 43 - QD1 LEU 122 far 0 86 0 - 8.9-13.1 HA SER 130 - QD1 LEU 122 far 0 91 0 - 9.1-12.1 Violated in 3 structures by 0.03 A. Peak 11092 from aliabs.peaks (2.96, 0.81, 25.48 ppm; 5.27 A): 1 out of 14 assignments used, quality = 0.82: HB3 ASN 121 + QD1 LEU 122 OK 82 85 100 97 3.6-6.0 7725/4.3=64, ~10323=34...(19) HB3 ASN 116 - QD1 LEU 122 poor 10 50 20 - 5.8-9.6 HB2 CYS 45 - QD1 LEU 70 far 6 63 10 - 6.3-11.7 HE2 LYS 31 - QD1 LEU 70 far 0 100 0 - 6.8-17.9 HB3 ASN 121 - QD1 LEU 70 far 0 93 0 - 6.9-11.5 HB2 CYS 45 - QD1 LEU 122 far 0 55 0 - 7.4-12.6 HE3 LYS 31 - QD1 LEU 70 far 0 97 0 - 7.7-17.6 HE3 LYS 36 - QD1 LEU 70 far 0 100 0 - 8.0-16.1 HE3 LYS 36 - QD1 LEU 122 far 0 94 0 - 8.2-18.4 HE2 LYS 36 - QD1 LEU 70 far 0 100 0 - 8.3-15.5 HE2 LYS 26 - QD1 LEU 122 far 0 94 0 - 8.6-18.2 HE3 LYS 26 - QD1 LEU 122 far 0 95 0 - 8.6-18.7 HB3 ASN 116 - QD1 LEU 70 far 0 57 0 - 9.1-14.1 HE2 LYS 36 - QD1 LEU 122 far 0 94 0 - 9.1-17.3 Violated in 9 structures by 0.17 A. Peak 11093 from aliabs.peaks (3.33, 0.86, 25.01 ppm; 4.34 A): 2 out of 6 assignments used, quality = 0.70: HB3 CYS 73 + QD2 LEU 70 OK 46 68 70 96 3.0-7.3 1.8/11094=54, ~9490=32...(21) HB2 HIS 67 + QD2 LEU 70 OK 45 99 45 100 3.9-7.1 3.0/11089=71...(27) HB3 TYR 72 - QD2 LEU 70 poor 20 100 20 - 5.7-9.0 HA VAL 63 - QD2 LEU 70 poor 13 65 20 - 4.9-8.6 HB2 PHE 89 - QD2 LEU 70 far 0 87 0 - 9.2-12.3 HB3 PHE 89 - QD2 LEU 70 far 0 100 0 - 9.2-12.5 Violated in 10 structures by 0.26 A. Peak 11094 from aliabs.peaks (2.75, 0.86, 25.01 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.69: HB2 CYS 73 + QD2 LEU 70 OK 58 90 65 98 3.1-7.4 2232/2269=45...(18) HB2 CYS 125 + QD2 LEU 70 OK 27 73 50 74 4.5-8.2 9490/2.1=25, ~9498=22...(12) HB2 TYR 76 - QD2 LEU 70 far 0 98 0 - 7.2-11.1 HB2 ASP 64 - QD2 LEU 70 far 0 100 0 - 8.5-11.4 HB2 ASP 131 - QD2 LEU 70 far 0 95 0 - 9.6-14.3 Violated in 16 structures by 0.77 A. Peak 11095 from aliabs.peaks (2.21, 3.88, 58.34 ppm; 4.77 A): 2 out of 11 assignments used, quality = 0.70: HB3 LEU 96 + HA LEU 70 OK 59 65 100 90 3.7-6.1 3.2/11810=65...(10) HG2 GLU 97 + HA LEU 70 OK 28 65 70 62 2.9-8.1 9496/2269=20...(6) HB3 GLU 97 - HA LEU 70 far 5 100 5 - 5.7-8.0 HB2 GLN 101 - HA LEU 70 far 0 97 0 - 6.7-10.2 HG2 GLN 68 - HA LEU 70 far 0 100 0 - 6.8-9.0 HB2 GLN 68 - HA LEU 70 far 0 100 0 - 7.5-8.6 HB2 GLN 104 - HA LEU 70 far 0 65 0 - 8.8-13.9 HB3 GLN 104 - HA LEU 70 far 0 99 0 - 8.9-15.0 HB3 GLU 128 - HA LEU 70 far 0 90 0 - 9.7-12.5 HB VAL 133 - HA LEU 70 far 0 68 0 - 9.7-12.7 HB3 GLN 127 - HA LEU 70 far 0 99 0 - 9.7-13.2 Violated in 5 structures by 0.10 A. Peak 11096 from aliabs.peaks (2.75, 1.71, 41.52 ppm; 5.76 A): 2 out of 8 assignments used, quality = 0.90: HB2 CYS 73 + HB2 LEU 70 OK 72 90 80 100 3.8-7.8 2232/3.0=76, ~2233=72...(20) HB2 CYS 73 + HB3 LEU 70 OK 65 81 80 100 4.7-7.9 2232/3.0=76, ~2233=72...(20) HB2 CYS 125 - HB2 LEU 70 poor 18 73 25 - 5.7-10.9 HB2 CYS 125 - HB3 LEU 70 far 6 64 10 - 7.1-10.6 HB2 TYR 76 - HB3 LEU 70 far 0 90 0 - 9.3-11.6 HB2 TYR 76 - HB2 LEU 70 far 0 98 0 - 9.5-11.8 HB2 ASP 64 - HB2 LEU 70 far 0 100 0 - 9.8-12.6 HB2 ASP 64 - HB3 LEU 70 far 0 94 0 - 9.8-12.6 Violated in 10 structures by 0.25 A. Peak 11097 from aliabs.peaks (3.32, 1.71, 41.52 ppm; 5.35 A): 4 out of 6 assignments used, quality = 0.98: HB3 CYS 73 + HB2 LEU 70 OK 64 92 70 100 4.6-7.9 2233/3.0=71, ~2232=62...(22) HB2 HIS 67 + HB3 LEU 70 OK 62 77 80 100 4.7-7.8 ~9462=50, ~11088=50...(30) HB2 HIS 67 + HB2 LEU 70 OK 61 87 70 100 4.6-7.6 ~9462=50, ~11088=50...(30) HB3 CYS 73 + HB3 LEU 70 OK 58 82 70 100 4.0-7.7 2233/3.0=71, ~2232=62...(21) HB3 TYR 72 - HB2 LEU 70 far 14 90 15 - 6.6-9.1 HB3 TYR 72 - HB3 LEU 70 poor 13 81 25 66 6.6-9.3 2233/3.0=24, 4.4/9561=21...(9) Violated in 0 structures by 0.00 A. Peak 11098 from aliabs.peaks (3.41, 0.81, 25.48 ppm; 5.24 A): 4 out of 5 assignments used, quality = 1.00: HB3 HIS 67 + QD1 LEU 70 OK 100 100 100 100 3.8-6.7 3.0/11088=91...(21) HA VAL 126 + QD1 LEU 122 OK 41 55 75 99 3.8-6.9 ~11678=31, 3.2/11676=31...(31) HA VAL 126 + QD1 LEU 70 OK 38 63 85 72 3.6-7.9 ~11083=18, ~11109=14...(15) HB3 HIS 67 + QD1 LEU 122 OK 29 95 35 88 3.9-8.9 9258/2.1=78, 3.0/9462=12...(10) HA LYS 39 - QD1 LEU 70 far 0 98 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 11099 from aliabs.peaks (2.14, 0.86, 25.01 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.78: HB2 GLU 97 + QD2 LEU 70 OK 64 99 65 100 1.8-5.8 2.9/9486=61...(30) HB3 LEU 69 + QD2 LEU 70 OK 37 89 50 84 2.7-7.7 4.4/2268=30, 1.8/2187=18...(20) Violated in 11 structures by 0.25 A. Peak 11100 from aliabs.peaks (2.23, 0.81, 25.48 ppm; 3.56 A): 5 out of 22 assignments used, quality = 1.00: HG2 GLU 97 + QD1 LEU 70 OK 88 98 90 100 1.8-5.7 1.8/9489=51, ~9486=45...(30) HB3 LEU 96 + QD1 LEU 70 OK 80 98 85 97 2.0-6.6 9496/2.1=40, ~11916=23...(40) HB3 GLU 97 + QD1 LEU 70 OK 70 93 75 100 2.9-5.6 3.0/10000=50...(34) HB2 GLN 101 + QD1 LEU 70 OK 33 63 65 80 2.4-7.2 2.9/9489=19...(24) HB3 LEU 96 + QD1 LEU 122 OK 30 91 35 94 1.9-6.9 ~10337=13, ~10337=13...(62) HB3 GLN 104 - QD1 LEU 70 far 5 97 5 - 4.0-9.6 HB3 GLN 104 - QD1 LEU 122 far 4 90 5 - 4.0-10.7 HB3 GLU 97 - QD1 LEU 122 far 0 85 0 - 5.4-9.6 HG2 GLN 68 - QD1 LEU 70 far 0 87 0 - 5.6-8.6 HG2 GLU 97 - QD1 LEU 122 far 0 91 0 - 5.8-9.5 HB3 GLN 127 - QD1 LEU 122 far 0 89 0 - 5.9-8.7 HG2 GLN 68 - QD1 LEU 122 far 0 78 0 - 5.9-12.5 HB2 GLN 68 - QD1 LEU 70 far 0 92 0 - 6.2-8.1 HB2 GLN 68 - QD1 LEU 122 far 0 83 0 - 6.4-10.6 HB3 GLU 102 - QD1 LEU 70 far 0 100 0 - 6.9-10.4 HB2 GLN 101 - QD1 LEU 122 far 0 55 0 - 7.0-9.5 HB3 GLU 128 - QD1 LEU 122 far 0 95 0 - 7.4-10.6 HB3 GLN 127 - QD1 LEU 70 far 0 97 0 - 7.6-12.6 HB3 GLU 102 - QD1 LEU 122 far 0 94 0 - 7.8-10.1 HB3 GLU 128 - QD1 LEU 70 far 0 100 0 - 7.9-12.1 HG2 GLU 91 - QD1 LEU 122 far 0 67 0 - 9.3-14.8 HG2 GLU 91 - QD1 LEU 70 far 0 76 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 11101 from aliabs.peaks (2.14, 0.81, 25.48 ppm; 3.88 A): 3 out of 7 assignments used, quality = 0.98: HB2 GLU 97 + QD1 LEU 70 OK 95 100 95 100 2.0-5.6 3.0/10000=58...(28) HB VAL 126 + QD1 LEU 122 OK 39 53 80 93 1.8-6.1 2.1/11676=29...(22) HB3 LEU 69 + QD1 LEU 70 OK 22 83 30 87 4.4-7.5 11099/2.1=28...(24) HB VAL 126 - QD1 LEU 70 poor 18 60 60 51 1.8-7.9 11109/2.1=16...(11) HB3 LEU 69 - QD1 LEU 122 far 11 74 15 - 4.7-9.9 HB2 GLU 97 - QD1 LEU 122 far 5 94 5 - 4.8-8.9 HB VAL 112 - QD1 LEU 122 far 0 70 0 - 8.9-14.9 Violated in 4 structures by 0.08 A. Peak 11102 from aliabs.peaks (2.18, 1.71, 41.52 ppm; 5.26 A): 4 out of 8 assignments used, quality = 0.87: HB3 LEU 69 + HB2 LEU 70 OK 59 78 75 100 5.5-7.4 ~6941=65, ~6943=44...(39) HB3 LEU 69 + HB3 LEU 70 OK 34 69 50 100 5.4-7.3 ~6941=65, ~6943=44...(40) HB2 GLN 101 + HB2 LEU 70 OK 30 68 50 88 4.6-8.2 ~11400=24, ~10049=20...(19) HB2 GLN 101 + HB3 LEU 70 OK 29 59 55 88 5.2-8.3 ~11400=24, ~10049=20...(19) HB3 GLN 68 - HB2 LEU 70 far 10 100 10 - 6.5-9.2 HB3 GLN 68 - HB3 LEU 70 far 9 94 10 - 6.5-9.1 HB2 GLN 104 - HB3 LEU 70 far 9 90 10 - 5.9-12.2 HB2 GLN 104 - HB2 LEU 70 far 5 98 5 - 6.7-11.5 Violated in 8 structures by 0.07 A. Peak 11103 from aliabs.peaks (1.37, 1.71, 41.52 ppm; 5.38 A): 6 out of 21 assignments used, quality = 1.00: HB3 LEU 100 + HB2 LEU 70 OK 95 100 95 100 4.1-6.9 ~11115=50, ~11094=45...(37) HB3 LEU 100 + HB3 LEU 70 OK 84 93 90 100 5.0-7.1 ~11115=50, ~11094=45...(34) HB2 LEU 96 + HB2 LEU 70 OK 77 97 80 100 3.8-7.6 11916/3.2=52, ~11810=43...(39) HB2 LEU 96 + HB3 LEU 70 OK 62 88 70 100 4.4-7.9 11916/3.2=52, ~11810=43...(37) HG LEU 96 + HB2 LEU 70 OK 56 63 90 100 1.9-7.0 ~11810=55, ~11692=41...(28) HG LEU 96 + HB3 LEU 70 OK 51 54 95 100 2.1-7.0 ~11810=55, ~11692=41...(27) QB ALA 29 - HB3 LEU 70 far 13 90 15 - 4.8-12.3 QB ALA 108 - HB2 LEU 70 far 5 97 5 - 6.4-15.4 QB ALA 108 - HB3 LEU 70 far 4 89 5 - 6.3-14.3 QB ALA 29 - HB2 LEU 70 lone 0 98 25 2 6.2-12.6 HG3 LYS 95 - HB2 LEU 70 far 0 90 0 - 7.4-13.5 HG2 LYS 95 - HB2 LEU 70 far 0 85 0 - 7.9-13.7 QB ALA 109 - HB3 LEU 70 far 0 77 0 - 8.8-16.2 HG2 LYS 36 - HB3 LEU 70 far 0 88 0 - 8.9-15.5 HG3 LYS 95 - HB3 LEU 70 far 0 81 0 - 9.0-13.0 QB ALA 109 - HB2 LEU 70 far 0 87 0 - 9.0-16.9 QB ALA 28 - HB3 LEU 70 far 0 82 0 - 9.3-16.2 HG2 LYS 95 - HB3 LEU 70 far 0 75 0 - 9.5-13.7 HG2 LYS 36 - HB2 LEU 70 far 0 97 0 - 9.6-15.3 QB ALA 28 - HB2 LEU 70 far 0 92 0 - 9.8-16.7 QB ALA 15 - HB3 LEU 70 far 0 87 0 - 9.9-32.1 Violated in 0 structures by 0.00 A. Peak 11104 from aliabs.peaks (3.79, 1.61, 27.00 ppm; 4.71 A): 2 out of 11 assignments used, quality = 0.94: HA VAL 118 + HG LEU 122 OK 81 90 90 99 4.3-7.5 7718/4.6=38...(37) HA VAL 118 + HG LEU 119 OK 71 84 85 99 5.0-7.2 3.5/3781=64...(22) HD3 PRO 58 - HG LEU 22 far 3 52 5 - 5.9-34.1 HB2 SER 9 - HG LEU 22 far 0 67 0 - 7.8-27.9 HD3 PRO 58 - HG LEU 119 far 0 57 0 - 8.3-15.7 HA ARG 90 - HG LEU 70 far 0 100 0 - 8.7-12.7 HD3 PRO 58 - HG3 ARG 23 far 0 61 0 - 8.8-32.5 HB3 SER 9 - HG LEU 22 far 0 84 0 - 9.2-26.3 HB2 SER 130 - HG LEU 70 far 0 68 0 - 9.3-13.0 HB2 SER 130 - HG LEU 122 far 0 63 0 - 9.6-13.1 HA VAL 118 - HG LEU 70 far 0 96 0 - 9.7-12.3 Violated in 17 structures by 0.35 A. Peak 11105 from aliabs.peaks (1.40, 1.61, 27.00 ppm; 4.15 A): 5 out of 57 assignments used, quality = 0.98: HG LEU 96 + HG LEU 70 OK 77 100 80 97 1.7-6.6 11917/2.1=41...(27) HB3 LEU 100 + HG LEU 122 OK 57 58 100 99 1.5-4.5 10337/2.1=27...(57) HB2 LEU 96 + HG LEU 70 OK 51 81 65 98 3.8-7.2 ~9496=33, 11916/2.1=32...(27) HB3 LEU 100 + HG LEU 70 OK 43 63 70 97 4.3-7.5 ~11115=38, ~9487=31...(23) HB2 LEU 96 + HG LEU 122 OK 36 75 50 97 4.4-7.9 10337/2.1=24...(58) HG LEU 96 - HG LEU 122 poor 19 96 20 - 4.8-8.6 HG2 LYS 26 - HG3 ARG 23 poor 13 53 25 - 4.2-13.7 QB ALA 28 - HG LEU 22 far 11 71 15 - 4.7-17.4 HG3 LYS 31 - HG3 ARG 23 far 8 83 10 - 4.8-19.1 HG3 LYS 26 - HG3 ARG 23 far 7 75 10 - 5.5-13.7 HG2 LYS 24 - HG LEU 22 far 5 54 10 - 4.3-9.2 QB ALA 109 - HG3 ARG 23 far 4 86 5 - 4.0-36.4 QB ALA 109 - HG LEU 119 far 4 82 5 - 3.5-11.5 QB ALA 110 - HG3 ARG 23 far 4 77 5 - 3.9-39.1 QB ALA 29 - HG LEU 70 far 4 76 5 - 4.9-13.4 QB ALA 15 - HG3 ARG 23 far 4 75 5 - 4.9-16.1 QB ALA 108 - HG3 ARG 23 far 4 71 5 - 4.9-34.9 QB ALA 108 - HG LEU 119 far 3 66 5 - 5.1-13.3 QB ALA 15 - HG LEU 22 far 3 65 5 - 5.1-15.0 QB ALA 108 - HG LEU 22 far 3 61 5 - 5.4-36.2 HG13 ILE 32 - HG3 ARG 23 far 3 58 5 - 4.7-19.6 QB ALA 28 - HG3 ARG 23 lone 0 81 25 1 2.6-14.0 HG2 LYS 24 - HG3 ARG 23 far 0 63 0 - 5.7-9.1 QB ALA 29 - HG3 ARG 23 far 0 68 0 - 5.7-15.7 QB ALA 110 - HG LEU 119 far 0 73 0 - 5.7-13.3 QB ALA 16 - HG3 ARG 23 far 0 91 0 - 6.0-14.5 HB3 LEU 100 - HG LEU 119 far 0 52 0 - 6.5-10.2 QB ALA 34 - HG LEU 70 far 0 95 0 - 6.7-16.1 QB ALA 109 - HG LEU 22 far 0 76 0 - 6.7-37.4 QB ALA 34 - HG3 ARG 23 far 0 87 0 - 6.8-25.5 QB ALA 110 - HG LEU 122 far 0 79 0 - 6.8-15.9 QB ALA 16 - HG LEU 22 far 0 81 0 - 6.9-14.0 QB ALA 108 - HG LEU 122 far 0 72 0 - 6.9-14.7 QB ALA 92 - HG LEU 70 far 0 63 0 - 6.9-10.0 HG2 LYS 26 - HG LEU 22 far 0 45 0 - 7.0-15.4 HG2 LYS 36 - HG3 ARG 23 far 0 73 0 - 7.0-26.0 QB ALA 110 - HG LEU 22 far 0 67 0 - 7.1-40.1 QB ALA 108 - HG LEU 70 far 0 78 0 - 7.4-14.6 QB ALA 92 - HG LEU 122 far 0 58 0 - 7.8-10.5 HG13 ILE 32 - HG LEU 70 far 0 65 0 - 7.9-15.8 HG3 LYS 26 - HG LEU 22 far 0 65 0 - 8.2-14.8 QB ALA 109 - HG LEU 70 far 0 93 0 - 8.2-15.1 HG3 LYS 31 - HG LEU 22 far 0 72 0 - 8.3-20.9 QB ALA 34 - HG LEU 22 far 0 77 0 - 8.5-27.6 HG3 LYS 95 - HG LEU 122 far 0 85 0 - 8.5-12.1 QB ALA 109 - HG LEU 122 far 0 88 0 - 8.5-13.7 QB ALA 29 - HG LEU 122 far 0 70 0 - 8.5-15.6 QB ALA 29 - HG LEU 22 far 0 59 0 - 8.5-16.9 HG2 LYS 36 - HG LEU 22 far 0 63 0 - 8.6-31.4 QB ALA 15 - HG LEU 119 far 0 71 0 - 8.7-37.5 QB ALA 29 - HG LEU 119 far 0 64 0 - 8.8-17.8 HG3 LYS 95 - HG LEU 70 far 0 90 0 - 8.9-12.8 HG2 LYS 95 - HG LEU 70 far 0 95 0 - 9.0-13.1 QB ALA 28 - HG LEU 70 far 0 89 0 - 9.1-18.1 HG2 LYS 95 - HG LEU 122 far 0 89 0 - 9.1-12.0 HG2 LYS 36 - HG LEU 70 far 0 81 0 - 9.2-16.0 QB ALA 16 - HG LEU 119 far 0 87 0 - 9.8-33.8 Violated in 0 structures by 0.00 A. Peak 11106 from aliabs.peaks (1.39, 0.86, 25.01 ppm; 3.29 A): 3 out of 16 assignments used, quality = 0.97: HG LEU 96 + QD2 LEU 70 OK 76 100 80 96 1.7-5.9 3.0/9496=28...(35) HB2 LEU 96 + QD2 LEU 70 OK 65 96 70 97 2.3-6.2 1.8/9496=38, 11916=26...(46) HB3 LEU 100 + QD2 LEU 70 OK 61 85 75 95 2.7-6.5 3.2/11115=45, ~9487=18...(41) QB ALA 29 - QD2 LEU 70 far 9 93 10 - 3.3-11.0 QB ALA 108 - QD2 LEU 70 far 0 95 0 - 5.8-13.3 QB ALA 34 - QD2 LEU 70 far 0 78 0 - 6.1-14.0 QB ALA 109 - QD2 LEU 70 far 0 100 0 - 6.6-14.3 QB ALA 28 - QD2 LEU 70 far 0 99 0 - 6.6-14.8 QB ALA 15 - QD2 LEU 70 far 0 97 0 - 6.9-28.3 HG2 LYS 95 - QD2 LEU 70 far 0 100 0 - 7.6-10.5 HG2 LYS 36 - QD2 LEU 70 far 0 96 0 - 7.6-13.3 HG3 LYS 31 - QD2 LEU 70 far 0 99 0 - 8.1-16.4 QB ALA 110 - QD2 LEU 70 far 0 97 0 - 8.1-15.7 HB2 LEU 42 - QD2 LEU 70 far 0 85 0 - 8.1-11.4 HG3 LYS 95 - QD2 LEU 70 far 0 99 0 - 8.1-9.9 HG3 LYS 26 - QD2 LEU 70 far 0 97 0 - 8.5-17.1 Violated in 3 structures by 0.13 A. Peak 11107 from aliabs.peaks (0.62, 0.86, 25.01 ppm; 3.24 A): 2 out of 3 assignments used, quality = 0.81: QD1 LEU 100 + QD2 LEU 70 OK 74 76 100 98 1.7-4.4 9487/2.1=47...(43) QD1 ILE 129 + QD2 LEU 70 OK 27 60 60 75 3.3-6.6 9967/9485=21...(17) QD1 LEU 42 - QD2 LEU 70 far 0 96 0 - 5.3-8.3 Violated in 8 structures by 0.09 A. Peak 11108 from aliabs.peaks (0.61, 1.71, 41.52 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 100 + HB3 LEU 70 OK 90 90 100 100 2.4-4.9 11115/3.2=82...(37) QD1 LEU 100 + HB2 LEU 70 OK 81 81 100 100 2.7-5.3 11115/3.2=82...(40) QD1 LEU 42 - HB2 LEU 70 far 0 75 0 - 6.5-10.5 QD1 LEU 42 - HB3 LEU 70 far 0 85 0 - 6.7-10.5 Violated in 0 structures by 0.00 A. Peak 11109 from aliabs.peaks (0.64, 3.88, 58.34 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + HA LEU 70 OK 99 99 100 100 3.7-6.2 11709=98, 10487/9484=60...(20) QD1 LEU 42 + HA LEU 70 OK 66 97 70 97 4.8-8.6 2.1/10876=66...(15) Violated in 4 structures by 0.04 A. Peak 11110 from aliabs.peaks (1.20, 0.81, 25.48 ppm; 4.34 A): 0 out of 8 assignments used, quality = 0.00: QG2 THR 65 - QD1 LEU 122 poor 20 60 70 47 2.7-7.4 2.1/9422=8, 9431/2.1=8...(12) QG2 THR 65 - QD1 LEU 70 far 10 68 15 - 5.3-8.2 QG2 VAL 77 - QD1 LEU 70 far 0 93 0 - 6.7-9.9 QG2 THR 25 - QD1 LEU 122 far 0 67 0 - 8.4-16.0 QG2 THR 25 - QD1 LEU 70 far 0 76 0 - 8.7-16.1 QB ALA 41 - QD1 LEU 70 far 0 73 0 - 9.0-12.0 QG2 VAL 77 - QD1 LEU 122 far 0 85 0 - 9.2-13.3 QB ALA 41 - QD1 LEU 122 far 0 65 0 - 9.2-13.8 Violated in 13 structures by 0.60 A. Peak 11111 from aliabs.peaks (2.19, 4.42, 57.33 ppm; 6.11 A): 1 out of 7 assignments used, quality = 0.28: HB3 GLN 68 + HA ASP 71 OK 28 95 30 100 7.3-8.2 ~2129=67, ~2128=65...(29) HB2 GLN 101 - HA ASP 71 far 10 96 10 - 6.5-10.7 HB3 GLU 97 - HA ASP 71 lone 5 68 40 17 6.6-9.2 10003/11115=6...(4) HG2 GLN 68 - HA ASP 71 far 0 78 0 - 7.6-8.8 HB2 GLN 68 - HA ASP 71 far 0 71 0 - 7.8-8.7 HB2 GLN 104 - HA ASP 71 far 0 100 0 - 9.5-14.9 HB3 GLN 104 - HA ASP 71 far 0 57 0 - 9.8-15.5 Violated in 20 structures by 1.67 A. Peak 11112 from aliabs.peaks (2.02, 4.42, 57.33 ppm; 4.91 A): 0 out of 2 assignments used, quality = 0.00: HB3 GLU 30 - HA ASP 71 far 0 95 0 - 7.1-20.9 HB ILE 129 - HA ASP 71 far 0 81 0 - 9.5-11.6 Violated in 20 structures by 4.93 A. Peak 11113 from aliabs.peaks (1.76, 4.42, 57.33 ppm; 5.60 A): 0 out of 5 assignments used, quality = 0.00: HG LEU 100 - HA ASP 71 far 0 97 0 - 8.4-10.8 HB2 LYS 31 - HA ASP 71 far 0 83 0 - 8.5-19.8 HG13 ILE 129 - HA ASP 71 far 0 85 0 - 8.9-12.1 HB3 LEU 122 - HA ASP 71 far 0 65 0 - 9.1-12.3 HB2 LYS 26 - HA ASP 71 far 0 87 0 - 9.2-20.9 Violated in 20 structures by 2.53 A. Peak 11114 from aliabs.peaks (2.20, 2.81, 39.26 ppm; 4.75 A): 3 out of 7 assignments used, quality = 0.96: HB3 GLN 68 + HB3 ASP 71 OK 80 89 90 100 4.3-7.3 3.0/2129=81, ~2128=55...(17) HB2 GLN 68 + HB3 ASP 71 OK 64 81 80 100 4.9-8.1 3.0/2129=81, ~2128=55...(18) HG2 GLN 68 + HB3 ASP 71 OK 43 87 50 99 4.7-8.4 3.7/2129=71...(13) HB2 GLN 101 - HB3 ASP 71 far 0 99 0 - 7.5-11.3 HB3 GLU 97 - HB3 ASP 71 far 0 78 0 - 7.9-10.5 HB2 GLN 104 - HB3 ASP 71 far 0 98 0 - 8.1-15.0 HB3 GLN 104 - HB3 ASP 71 far 0 68 0 - 8.8-15.4 Violated in 9 structures by 0.20 A. Peak 11115 from aliabs.peaks (0.79, 4.42, 57.33 ppm; 4.55 A): 2 out of 10 assignments used, quality = 0.87: QD1 LEU 70 + HA ASP 71 OK 80 81 100 100 2.1-6.0 3.2/9509=57...(18) QD1 LEU 96 + HA ASP 71 OK 35 87 95 42 4.6-7.1 9575/7004=15...(5) QD1 ILE 32 - HA ASP 71 poor 19 76 25 - 2.7-12.0 QD1 ILE 37 - HA ASP 71 far 8 76 10 - 4.0-10.1 QD1 LEU 122 - HA ASP 71 far 0 92 0 - 7.7-11.6 QD2 LEU 122 - HA ASP 71 far 0 100 0 - 8.0-10.9 QD2 LEU 49 - HA ASP 71 far 0 99 0 - 8.3-10.5 QG1 VAL 63 - HA ASP 71 far 0 98 0 - 8.7-10.5 QG2 ILE 80 - HA ASP 71 far 0 73 0 - 9.4-14.2 QD1 LEU 103 - HA ASP 71 far 0 97 0 - 9.6-15.1 Violated in 13 structures by 0.36 A. Peak 11116 from aliabs.peaks (8.41, 4.42, 57.33 ppm; 5.60 A): 1 out of 2 assignments used, quality = 1.00: H SER 74 + HA ASP 71 OK 100 100 100 100 3.4-4.1 7004=100, 7005/3.6=65...(8) H VAL 93 - HA ASP 71 far 0 81 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 11118 from aliabs.peaks (4.02, 7.14, 131.84 ppm; 5.10 A): 2 out of 6 assignments used, quality = 0.97: HA ILE 37 + QD TYR 72 OK 85 100 85 100 3.1-6.9 1089/9022=91, 9366=88...(32) HA GLN 68 + QD TYR 72 OK 80 81 100 100 4.5-5.8 3.7/9482=66, 3.7/9481=65...(17) HB2 SER 38 - QD TYR 72 far 4 83 5 - 5.5-9.6 HA GLU 44 - QD TYR 72 far 0 87 0 - 7.6-9.4 HD3 PRO 81 - QD TYR 72 far 0 95 0 - 8.5-12.9 HA LEU 122 - QD TYR 72 far 0 90 0 - 9.4-13.6 Violated in 1 structures by 0.01 A. Peak 11119 from aliabs.peaks (3.48, 7.14, 131.84 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.99: HA LEU 42 + QD TYR 72 OK 99 99 100 100 2.3-4.0 9113=98, 10826/9022=62...(18) HA VAL 77 - QD TYR 72 far 3 68 5 - 5.7-10.5 HA ILE 129 - QD TYR 72 far 0 78 0 - 7.5-11.7 Violated in 0 structures by 0.00 A. Peak 11120 from aliabs.peaks (2.79, 4.54, 60.34 ppm; 6.01 A): 1 out of 1 assignment used, quality = 0.93: HB3 ASP 71 + HA TYR 72 OK 93 93 100 100 4.3-5.5 6979/2.9=91, ~6978=78...(8) Violated in 0 structures by 0.00 A. Peak 11121 from aliabs.peaks (1.55, 4.54, 60.34 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.89: HG13 ILE 37 + HA TYR 72 OK 80 100 80 100 3.6-9.9 1093/11134=70...(27) HB3 LEU 42 + HA TYR 72 OK 44 97 45 100 4.3-8.9 3.2/11136=58...(35) Violated in 10 structures by 0.40 A. Peak 11122 from aliabs.peaks (1.00, 4.54, 60.34 ppm; 6.19 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 69 + HA TYR 72 OK 99 99 100 100 5.0-7.0 11064/3.4=94...(34) Violated in 5 structures by 0.11 A. Peak 11123 from aliabs.peaks (1.51, 7.14, 131.84 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 69 + QD TYR 72 OK 100 100 100 100 4.1-5.6 2.1/11064=94...(30) HG LEU 42 + QD TYR 72 OK 71 71 100 100 2.6-5.7 2.1/9108=78, 2.1/9111=69...(32) HB2 LEU 49 - QD TYR 72 far 0 92 0 - 7.4-10.3 Violated in 0 structures by 0.00 A. Peak 11124 from aliabs.peaks (1.38, 7.14, 131.84 ppm; 6.39 A): 3 out of 13 assignments used, quality = 1.00: HB2 LEU 42 + QD TYR 72 OK 97 97 100 100 3.3-6.2 3.0/9113=96, 3.1/9108=84...(33) HG2 LYS 36 + QD TYR 72 OK 89 100 95 94 2.1-10.2 10820/9022=59...(14) QB ALA 29 + QD TYR 72 OK 23 100 70 34 5.2-10.8 10739/10747=23...(4) HG3 LYS 31 - QD TYR 72 far 10 100 10 - 6.4-15.9 HG3 LYS 26 - QD TYR 72 far 5 100 5 - 7.3-20.6 QB ALA 16 - QD TYR 72 far 5 99 5 - 7.7-24.1 HG LEU 96 - QD TYR 72 far 5 93 5 - 7.9-10.6 HB2 LEU 96 - QD TYR 72 far 0 100 0 - 8.4-10.9 QB ALA 12 - QD TYR 72 far 0 73 0 - 8.7-23.9 HG2 LYS 24 - QD TYR 72 far 0 99 0 - 8.8-21.5 QB ALA 108 - QD TYR 72 far 0 100 0 - 9.0-17.1 QB ALA 28 - QD TYR 72 far 0 100 0 - 9.1-14.6 QB ALA 15 - QD TYR 72 far 0 100 0 - 9.9-26.8 Violated in 0 structures by 0.00 A. Peak 11125 from aliabs.peaks (1.68, 7.14, 131.84 ppm; 6.12 A): 4 out of 11 assignments used, quality = 0.99: HD3 LYS 36 + QD TYR 72 OK 73 87 90 93 2.2-9.8 10912/9022=45...(16) HD2 LYS 36 + QD TYR 72 OK 70 89 85 92 1.9-8.6 10912/9022=43...(16) HB2 LEU 69 + QD TYR 72 OK 60 60 100 100 4.1-5.2 3.2/11064=96...(43) HB2 LEU 70 + QD TYR 72 OK 55 65 100 84 6.4-7.5 3.2/11098=30...(15) HD2 LYS 26 - QD TYR 72 far 8 83 10 - 7.2-20.5 HD2 LYS 31 - QD TYR 72 far 4 73 5 - 6.8-14.9 HD3 LYS 26 - QD TYR 72 far 0 89 0 - 7.8-20.1 HB2 LEU 43 - QD TYR 72 far 0 71 0 - 7.8-9.8 HD3 LYS 31 - QD TYR 72 far 0 81 0 - 8.1-15.1 HD2 LYS 39 - QD TYR 72 far 0 100 0 - 8.1-12.7 HD2 LYS 24 - QD TYR 72 far 0 87 0 - 9.9-22.2 Violated in 0 structures by 0.00 A. Peak 11126 from aliabs.peaks (1.36, 6.80, 117.87 ppm; 6.19 A): 3 out of 14 assignments used, quality = 0.99: HB2 LEU 42 + QE TYR 72 OK 87 97 90 100 4.1-8.2 3.0/11895=84...(17) QB ALA 46 + QE TYR 72 OK 75 76 100 99 2.5-7.2 4.5/9547=76, 4.5/9144=74...(10) HG2 LYS 36 + QE TYR 72 OK 60 87 80 87 2.7-12.0 10704/9025=29...(13) QB ALA 29 - QE TYR 72 poor 17 90 75 26 3.8-11.6 10739/10748=16...(4) HG3 LYS 31 - QE TYR 72 poor 15 76 20 - 5.8-17.0 HB2 LEU 96 - QE TYR 72 far 9 87 10 - 7.3-11.9 HG3 LYS 26 - QE TYR 72 far 8 85 10 - 6.1-20.7 HG2 LYS 24 - QE TYR 72 far 5 93 5 - 7.1-21.6 QB ALA 21 - QE TYR 72 far 5 90 5 - 5.5-20.4 QB ALA 16 - QE TYR 72 far 3 60 5 - 6.9-22.5 QB ALA 28 - QE TYR 72 far 0 78 0 - 7.8-14.5 QB ALA 108 - QE TYR 72 far 0 89 0 - 8.2-17.3 QB ALA 15 - QE TYR 72 far 0 85 0 - 9.3-25.2 QB ALA 12 - QE TYR 72 far 0 100 0 - 9.8-23.2 Violated in 0 structures by 0.00 A. Peak 11127 from aliabs.peaks (2.94, 7.14, 131.84 ppm; 5.01 A): 3 out of 10 assignments used, quality = 1.00: HB2 CYS 45 + QD TYR 72 OK 100 100 100 100 2.7-5.0 9143=98, 1.8/9145=86...(24) HE2 LYS 36 + QD TYR 72 OK 37 81 65 71 2.2-10.3 10705/9022=20...(11) HE3 LYS 36 + QD TYR 72 OK 37 81 65 71 2.7-10.3 10705/9022=21...(11) HE3 LYS 31 - QD TYR 72 far 5 93 5 - 6.4-14.7 HE2 LYS 31 - QD TYR 72 far 4 83 5 - 6.1-14.1 HE3 LYS 26 - QD TYR 72 far 4 76 5 - 5.8-21.9 HE2 LYS 26 - QD TYR 72 far 0 83 0 - 7.1-22.3 HE3 LYS 39 - QD TYR 72 far 0 97 0 - 7.7-13.7 HE2 LYS 39 - QD TYR 72 far 0 97 0 - 8.1-12.9 HE2 LYS 24 - QD TYR 72 far 0 93 0 - 9.1-23.2 Violated in 0 structures by 0.00 A. Peak 11128 from aliabs.peaks (2.81, 7.14, 131.84 ppm; 5.90 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASP 71 + QD TYR 72 OK 100 100 100 100 2.9-6.2 6979/6983=88...(11) HB3 ASP 47 - QD TYR 72 far 0 60 0 - 8.9-10.8 HB3 ASP 64 - QD TYR 72 far 0 100 0 - 9.6-12.5 Violated in 2 structures by 0.03 A. Peak 11129 from aliabs.peaks (3.10, 7.14, 131.84 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.98: HB3 CYS 45 + QD TYR 72 OK 96 96 100 100 2.5-6.0 9145=93, 1.8/9143=78...(23) HB3 TYR 76 + QD TYR 72 OK 49 63 90 88 2.6-6.6 9011/9022=41...(11) HB2 HIS 7 - QD TYR 72 far 0 100 0 - 7.4-42.0 Violated in 1 structures by 0.03 A. Peak 11130 from aliabs.peaks (3.36, 6.80, 117.87 ppm; 5.72 A): 1 out of 3 assignments used, quality = 0.90: HB3 TYR 72 + QE TYR 72 OK 90 90 100 100 4.4-4.5 4.5=100 HB2 HIS 67 - QE TYR 72 poor 18 93 30 66 6.8-10.0 4.0/9450=36...(10) HB3 PHE 89 - QE TYR 72 far 4 87 5 - 7.0-14.6 Violated in 0 structures by 0.00 A. Peak 11131 from aliabs.peaks (3.48, 6.80, 117.87 ppm; 5.85 A): 1 out of 3 assignments used, quality = 0.95: HA LEU 42 + QE TYR 72 OK 95 95 100 100 2.7-5.9 11119/2.2=93, 11895=91...(17) HA ILE 129 - QE TYR 72 poor 16 63 25 - 5.5-13.6 HA VAL 132 - QE TYR 72 far 0 90 0 - 9.3-16.7 Violated in 1 structures by 0.00 A. Peak 11132 from aliabs.peaks (4.03, 6.80, 117.87 ppm; 5.49 A): 2 out of 10 assignments used, quality = 0.96: HA ILE 37 + QE TYR 72 OK 92 97 95 100 3.2-8.2 3.2/9021=85...(20) HA GLN 68 + QE TYR 72 OK 54 60 90 100 3.3-7.2 3.7/11830=81...(14) HB2 SER 38 - QE TYR 72 far 3 63 5 - 5.1-10.8 HB3 SER 74 - QE TYR 72 far 0 63 0 - 7.3-9.1 HA GLU 44 - QE TYR 72 far 0 97 0 - 7.4-9.8 HB2 SER 74 - QE TYR 72 far 0 73 0 - 7.7-10.2 HD3 PRO 81 - QE TYR 72 far 0 100 0 - 8.0-14.9 HA LEU 122 - QE TYR 72 far 0 99 0 - 8.4-14.6 HA LEU 96 - QE TYR 72 far 0 78 0 - 9.2-13.4 HA ALA 92 - QE TYR 72 far 0 76 0 - 9.3-15.6 Violated in 1 structures by 0.05 A. Peak 11133 from aliabs.peaks (2.31, 7.14, 131.84 ppm; 5.59 A): 1 out of 9 assignments used, quality = 1.00: HG3 GLN 68 + QD TYR 72 OK 100 100 100 100 3.3-6.9 9482=100, 1.8/9481=96...(23) HB VAL 77 - QD TYR 72 poor 15 73 20 - 5.8-10.0 HG2 GLU 44 - QD TYR 72 far 0 100 0 - 7.4-10.7 HG3 GLN 27 - QD TYR 72 far 0 57 0 - 7.5-17.1 HG2 GLU 40 - QD TYR 72 far 0 68 0 - 7.7-12.0 HG3 GLU 30 - QD TYR 72 far 0 99 0 - 8.8-16.5 HG2 GLN 27 - QD TYR 72 far 0 63 0 - 8.9-18.3 HG2 GLU 128 - QD TYR 72 far 0 71 0 - 9.3-16.1 HB3 GLN 134 - QD TYR 72 far 0 95 0 - 9.7-14.2 Violated in 5 structures by 0.23 A. Peak 11134 from aliabs.peaks (0.94, 4.54, 60.34 ppm; 4.75 A): 1 out of 6 assignments used, quality = 0.90: QG2 ILE 37 + HA TYR 72 OK 90 100 90 100 2.4-6.7 9022/3.4=79, 9010/3.0=78...(27) QG2 VAL 126 - HA TYR 72 far 0 71 0 - 7.2-11.3 QG1 VAL 126 - HA TYR 72 far 0 85 0 - 7.5-11.4 QD1 LEU 48 - HA TYR 72 far 0 63 0 - 9.5-13.9 QD1 LEU 49 - HA TYR 72 far 0 71 0 - 9.8-12.1 QG1 VAL 20 - HA TYR 72 far 0 60 0 - 9.8-25.6 Violated in 7 structures by 0.42 A. Peak 11135 from aliabs.peaks (0.82, 4.54, 60.34 ppm; 5.81 A): 2 out of 8 assignments used, quality = 0.59: QG2 ILE 129 + HA TYR 72 OK 44 100 50 89 6.4-8.1 9083/11136=36...(14) QG2 ILE 32 + HA TYR 72 OK 26 83 55 57 3.3-12.2 ~10747=19, ~9528=15...(7) QD1 LEU 70 - HA TYR 72 poor 20 99 20 - 5.9-8.8 QG2 ILE 80 - HA TYR 72 far 5 100 5 - 6.9-12.1 QG1 VAL 133 - HA TYR 72 far 0 83 0 - 7.4-9.3 QD2 LEU 49 - HA TYR 72 far 0 78 0 - 8.0-10.1 QD1 LEU 122 - HA TYR 72 far 0 95 0 - 9.6-13.5 HG13 ILE 80 - HA TYR 72 far 0 99 0 - 9.9-13.4 Violated in 14 structures by 0.48 A. Peak 11136 from aliabs.peaks (0.64, 4.54, 60.34 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + HA TYR 72 OK 100 100 100 100 3.5-5.9 9091/3.0=87...(30) QD1 ILE 129 - HA TYR 72 far 0 93 0 - 7.2-10.4 Violated in 2 structures by 0.05 A. Peak 11137 from aliabs.peaks (0.91, 7.14, 131.84 ppm; 5.50 A): 3 out of 8 assignments used, quality = 0.80: QG2 ILE 37 + QD TYR 72 OK 68 68 100 100 1.7-5.2 3.2/9366=73, 3.0/9024=73...(51) QD1 LEU 48 + QD TYR 72 OK 22 100 35 63 5.6-9.7 9164/10897=26...(6) QD2 LEU 48 + QD TYR 72 OK 20 95 35 61 6.0-10.0 10887/9143=24...(6) QD1 LEU 49 - QD TYR 72 far 10 100 10 - 6.6-9.2 QG2 VAL 20 - QD TYR 72 far 0 92 0 - 7.4-21.3 QD2 LEU 123 - QD TYR 72 far 0 68 0 - 8.1-12.1 QG1 VAL 20 - QD TYR 72 far 0 100 0 - 8.1-21.0 QD1 LEU 123 - QD TYR 72 far 0 89 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 11138 from aliabs.peaks (0.64, 7.14, 131.84 ppm; 5.50 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 42 + QD TYR 72 OK 99 99 100 100 1.9-4.8 9091/2.7=92...(38) QD1 ILE 129 + QD TYR 72 OK 23 97 25 97 4.8-9.4 11692/9527=58...(14) Violated in 0 structures by 0.00 A. Peak 11139 from aliabs.peaks (1.47, 4.54, 60.34 ppm; 5.39 A): 1 out of 2 assignments used, quality = 0.76: HG LEU 42 + HA TYR 72 OK 76 96 80 100 5.4-7.3 2.1/11136=78...(27) HG3 LYS 36 - HA TYR 72 poor 12 90 35 38 3.5-13.6 ~11124=17, ~11125=10...(6) Violated in 20 structures by 0.90 A. Peak 11140 from aliabs.peaks (4.32, 4.54, 60.34 ppm; 5.05 A): 3 out of 5 assignments used, quality = 0.99: HA TYR 76 + HA TYR 72 OK 82 96 100 86 5.0-6.2 11155/11134=51...(9) HA2 GLY 75 + HA TYR 72 OK 80 99 100 80 3.7-4.9 10833/11134=32...(11) HA LEU 69 + HA TYR 72 OK 60 60 100 99 5.0-6.1 6973/2.9=57...(24) HA LYS 24 - HA TYR 72 far 0 97 0 - 8.7-25.7 HA THR 25 - HA TYR 72 far 0 60 0 - 9.0-24.1 Violated in 0 structures by 0.00 A. Peak 11141 from aliabs.peaks (4.02, 4.54, 60.34 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.83: HA ILE 37 + HA TYR 72 OK 60 100 60 100 3.7-8.9 1089/11134=80...(23) HA GLN 68 + HA TYR 72 OK 57 89 70 92 6.5-7.2 2129/11120=40...(10) HB2 SER 38 - HA TYR 72 far 0 90 0 - 7.6-11.0 Violated in 10 structures by 0.46 A. Peak 11142 from aliabs.peaks (0.81, 4.38, 64.33 ppm; 4.67 A): 2 out of 13 assignments used, quality = 0.97: QG2 ILE 129 + HA CYS 73 OK 94 96 100 98 2.7-4.4 10457/11145=46...(33) QG1 VAL 133 + HA CYS 73 OK 49 65 100 76 4.6-5.9 11756/11145=27...(13) QG2 ILE 80 - HA CYS 73 poor 19 100 25 77 4.4-9.1 3.1/9571=26...(18) QD2 LEU 119 - HA PRO 113 poor 15 35 75 58 3.1-9.0 ~10140=18, 2.1/11506=18...(9) QD1 LEU 70 - HA CYS 73 far 15 100 15 - 5.8-8.6 HG13 ILE 80 - HA CYS 73 far 0 100 0 - 6.4-10.3 QD1 LEU 122 - HA PRO 113 far 0 53 0 - 6.6-13.1 QG2 ILE 32 - HA CYS 73 far 0 65 0 - 7.1-13.7 QD2 LEU 122 - HA PRO 113 far 0 30 0 - 7.1-13.3 QD2 LEU 49 - HA CYS 73 far 0 92 0 - 7.3-9.2 QD1 LEU 122 - HA CYS 73 far 0 99 0 - 8.3-12.6 QD2 LEU 122 - HA CYS 73 far 0 68 0 - 8.3-12.6 QD1 LEU 53 - HA PRO 113 far 0 40 0 - 8.3-15.0 Violated in 0 structures by 0.00 A. Peak 11143 from aliabs.peaks (0.82, 2.74, 27.42 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: QG2 ILE 129 + HB2 CYS 73 OK 100 100 100 100 1.8-4.6 ~10462=57, 11142/3.0=51...(34) QD1 LEU 70 + HB2 CYS 73 OK 99 99 100 100 3.8-7.6 3.8/2232=95...(17) QG1 VAL 133 + HB2 CYS 73 OK 78 83 100 94 4.3-7.6 10556/11816=43...(16) HG13 ILE 80 + HB2 CYS 73 OK 44 99 50 89 7.2-12.3 ~9571=35, 2.1/9573=33...(15) QG2 ILE 80 + HB2 CYS 73 OK 35 100 40 87 4.7-10.7 3.1/9573=31, ~9571=30...(15) QG2 ILE 32 - HB2 CYS 73 far 12 83 15 - 7.4-13.9 QD2 LEU 49 - HB2 CYS 73 lone 11 78 75 19 6.4-8.5 11229/2232=9...(5) QD1 LEU 122 - HB2 CYS 73 poor 5 95 25 21 6.3-11.1 2273/11094=11...(5) QD1 LEU 53 - HB2 CYS 73 far 0 68 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 11144 from aliabs.peaks (0.82, 3.31, 27.42 ppm; 5.24 A): 3 out of 9 assignments used, quality = 1.00: QG2 ILE 129 + HB3 CYS 73 OK 99 100 100 99 2.0-4.3 11142/3.0=40, ~10462=33...(32) QD1 LEU 70 + HB3 CYS 73 OK 74 99 75 99 3.5-7.5 2261/2233=74...(17) QG1 VAL 133 + HB3 CYS 73 OK 44 83 70 76 4.2-7.1 10556/11148=25...(13) QG2 ILE 80 - HB3 CYS 73 poor 19 100 25 74 5.0-10.7 ~9571=18, 3.1/9581=17...(13) QD2 LEU 49 - HB3 CYS 73 far 8 78 10 - 6.4-8.4 QD1 LEU 122 - HB3 CYS 73 far 5 95 5 - 6.7-11.1 HG13 ILE 80 - HB3 CYS 73 far 0 99 0 - 7.5-11.0 QG2 ILE 32 - HB3 CYS 73 far 0 83 0 - 8.3-13.3 QD1 LEU 53 - HB3 CYS 73 far 0 68 0 - 9.5-12.7 Violated in 0 structures by 0.00 A. Peak 11145 from aliabs.peaks (7.41, 4.38, 64.33 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + HA CYS 73 OK 100 100 100 100 1.9-3.3 2.2/9538=79...(27) Violated in 0 structures by 0.00 A. Peak 11146 from aliabs.peaks (6.49, 4.38, 64.33 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + HA CYS 73 OK 96 97 100 99 2.7-4.8 2.6/11137=59...(20) QE TYR 76 + HA CYS 73 OK 75 92 85 97 4.0-6.6 4.5/11137=44...(18) Violated in 0 structures by 0.00 A. Peak 11147 from aliabs.peaks (7.30, 2.74, 27.42 ppm; 6.48 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 89 + HB2 CYS 73 OK 100 100 100 100 2.1-5.6 9538/3.0=98, ~11145=78...(18) Violated in 0 structures by 0.00 A. Peak 11148 from aliabs.peaks (7.31, 3.31, 27.42 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.97: HZ PHE 89 + HB3 CYS 73 OK 97 97 100 100 2.1-4.7 9538/3.0=100...(17) HE ARG 90 - HB3 CYS 73 poor 19 76 25 - 7.8-12.4 Violated in 0 structures by 0.00 A. Peak 11150 from aliabs.peaks (1.38, 4.29, 61.45 ppm; 3.63 A): 3 out of 37 assignments used, quality = 0.83: HG3 LYS 26 + HA THR 25 OK 54 100 60 90 3.0-7.7 6253/582=55...(23) HG2 LYS 24 + HA THR 25 OK 43 99 45 95 3.0-6.9 6234/3.0=42...(28) HG2 LYS 19 + HA THR 18 OK 36 70 60 85 4.0-7.3 6151/3.6=37...(18) QB ALA 28 - HA THR 25 poor 17 100 50 34 3.4-8.5 ~10772=10, 6253/582=8...(8) HG3 LYS 31 - HA THR 25 far 15 100 15 - 3.6-15.1 QB ALA 29 - HA THR 25 far 15 100 15 - 4.2-10.8 QB ALA 15 - HA THR 18 far 12 77 15 - 3.8-9.2 QB ALA 28 - HA THR 18 far 8 77 10 - 4.2-20.7 QB ALA 29 - HA SER 74 far 5 99 5 - 5.1-17.1 QB ALA 110 - HA THR 18 far 4 77 5 - 4.4-44.9 HG2 LYS 36 - HA THR 18 far 4 77 5 - 4.1-34.5 HG3 LYS 31 - HA THR 18 far 4 77 5 - 3.2-23.1 QB ALA 12 - HA THR 25 far 4 76 5 - 5.1-18.5 HG2 LYS 24 - HA THR 18 far 4 75 5 - 3.6-15.8 QB ALA 16 - HA THR 18 lone 3 73 30 15 4.7-7.3 ~6139=6, 10878/3.0=4...(5) QB ALA 12 - HA THR 18 lone 1 51 45 4 3.6-12.4 10683/3.0=1 QB ALA 109 - HA THR 25 far 0 100 0 - 5.8-29.6 HG LEU 96 - HA SER 74 far 0 90 0 - 6.1-7.9 HG2 LYS 19 - HA THR 25 far 0 96 0 - 6.5-20.7 QB ALA 28 - HA SER 74 far 0 99 0 - 6.6-22.0 HG3 LYS 95 - HA THR 25 far 0 100 0 - 6.8-30.2 QB ALA 108 - HA THR 25 far 0 100 0 - 6.8-27.8 HB2 LEU 96 - HA SER 74 far 0 99 0 - 7.0-9.3 QB ALA 109 - HA THR 18 far 0 76 0 - 7.0-41.9 QB ALA 110 - HA THR 25 far 0 100 0 - 7.1-32.7 HB2 LEU 42 - HA THR 18 far 0 73 0 - 7.1-34.7 HG2 LYS 36 - HA THR 25 far 0 100 0 - 7.3-23.3 QB ALA 15 - HA THR 25 far 0 100 0 - 7.8-18.5 QB ALA 16 - HA THR 25 far 0 98 0 - 7.9-18.9 QB ALA 29 - HA THR 18 far 0 76 0 - 8.1-20.6 HG3 LYS 31 - HA SER 74 far 0 99 0 - 8.3-24.6 QB ALA 108 - HA THR 18 far 0 77 0 - 8.4-40.4 HG2 LYS 95 - HA THR 25 far 0 99 0 - 8.4-30.1 HB2 LEU 42 - HA THR 25 far 0 98 0 - 8.7-26.8 HG2 LYS 95 - HA SER 74 far 0 98 0 - 9.3-12.8 HB2 LEU 42 - HA SER 74 far 0 96 0 - 9.7-11.9 HG2 LYS 95 - HA PHE 87 far 0 28 0 - 9.9-13.2 Violated in 8 structures by 0.19 A. Peak 11151 from aliabs.peaks (1.76, 4.29, 61.45 ppm; 4.23 A): 2 out of 19 assignments used, quality = 0.92: HB2 LYS 24 + HA THR 25 OK 78 83 95 99 3.9-6.1 6232/3.0=54, ~6233=43...(25) HB2 LYS 26 + HA THR 25 OK 62 85 75 98 4.4-6.5 6250/582=79...(28) HB2 LYS 19 - HA THR 18 poor 14 55 25 - 4.6-6.1 HB2 LYS 31 - HA THR 25 far 12 81 15 - 2.3-14.6 HB2 LYS 24 - HA THR 18 far 9 57 15 - 3.7-15.2 HB2 LEU 48 - HA THR 25 far 5 92 5 - 3.8-26.9 HB2 LYS 19 - HA THR 25 far 4 81 5 - 4.7-19.1 HB2 LYS 31 - HA THR 18 far 3 55 5 - 4.4-25.6 HG13 ILE 129 - HA SER 74 far 0 80 0 - 5.7-9.0 HG3 ARG 90 - HA SER 74 far 0 63 0 - 5.8-8.9 HB2 ARG 23 - HA THR 25 far 0 96 0 - 5.9-8.3 HB2 ARG 23 - HA THR 18 far 0 70 0 - 6.4-11.9 HB2 LYS 39 - HA THR 18 far 0 77 0 - 6.6-39.0 HB2 LEU 48 - HA THR 18 far 0 65 0 - 7.0-33.1 HB3 LEU 98 - HA THR 25 far 0 85 0 - 7.3-29.3 HB2 LYS 26 - HA THR 18 far 0 59 0 - 8.2-20.4 HG13 ILE 129 - HA PHE 87 far 0 20 0 - 8.5-10.3 HB ILE 80 - HA SER 74 far 0 58 0 - 8.7-11.3 HB2 LYS 31 - HA SER 74 far 0 78 0 - 9.9-24.6 Violated in 14 structures by 0.38 A. Peak 11152 from aliabs.peaks (0.28, 4.31, 59.75 ppm; 6.04 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HA TYR 76 OK 96 96 100 100 4.5-6.8 9746/4.7=80...(28) QG2 VAL 93 + HA TYR 76 OK 90 97 95 98 6.5-7.6 11415/3.0=48...(11) Violated in 2 structures by 0.02 A. Peak 11153 from aliabs.peaks (0.27, 2.76, 40.83 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 80 + HB2 TYR 76 OK 100 100 100 100 3.9-7.2 9746/4.5=96...(30) QG2 VAL 93 + HB2 TYR 76 OK 87 87 100 100 4.3-7.9 9079/9617=48...(22) QD1 ILE 80 - HB2 ASP 131 far 10 98 10 - 7.4-12.2 QG2 VAL 93 - HB2 ASP 131 far 0 84 0 - 8.7-12.0 Violated in 0 structures by 0.00 A. Peak 11154 from aliabs.peaks (0.28, 3.13, 40.83 ppm; 6.44 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HB3 TYR 76 OK 98 99 100 100 4.7-7.0 11326/11167=67...(16) QD1 ILE 80 + HB3 TYR 76 OK 92 92 100 100 4.0-7.1 9746/4.5=82...(25) Violated in 0 structures by 0.00 A. Peak 11155 from aliabs.peaks (0.94, 4.31, 59.75 ppm; 4.55 A): 1 out of 3 assignments used, quality = 0.50: QG2 ILE 37 + HA TYR 76 OK 50 100 50 100 2.2-10.5 9019/3.1=79...(24) QG1 VAL 20 - HA TYR 76 far 0 57 0 - 9.2-29.8 QG2 VAL 126 - HA TYR 76 far 0 73 0 - 9.3-13.2 Violated in 12 structures by 2.12 A. Peak 11156 from aliabs.peaks (1.06, 4.31, 59.75 ppm; 5.98 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + HA TYR 76 OK 100 100 100 100 4.8-5.2 7043/3.6=99, 9611/3.0=92...(27) QG2 VAL 133 + HA TYR 76 OK 72 90 80 99 5.5-9.2 10555/4.7=73...(14) Violated in 0 structures by 0.00 A. Peak 11157 from aliabs.peaks (0.84, 2.76, 40.83 ppm; 5.16 A): 6 out of 13 assignments used, quality = 1.00: QG1 VAL 133 + HB2 ASP 131 OK 96 99 100 98 5.3-6.0 4245/11644=56...(17) QG1 VAL 133 + HB2 TYR 76 OK 94 100 95 99 4.1-7.6 10558/4.5=70...(19) QG2 ILE 129 + HB2 TYR 76 OK 76 96 90 89 4.0-7.7 9083/9617=33...(19) QG2 ILE 129 + HB2 ASP 131 OK 75 93 85 94 6.3-6.9 10443/4085=44...(19) QG2 ILE 80 + HB2 TYR 76 OK 38 81 50 95 4.0-8.5 ~9746=26, 3.1/11153=22...(21) HG13 ILE 80 + HB2 TYR 76 OK 35 73 50 95 4.8-9.0 ~9746=33, ~9736=27...(17) QD2 LEU 70 - HB2 TYR 76 far 0 81 0 - 7.2-11.1 QD1 LEU 70 - HB2 TYR 76 far 0 73 0 - 7.5-11.9 QG2 ILE 32 - HB2 TYR 76 far 0 100 0 - 7.6-14.3 QG2 ILE 80 - HB2 ASP 131 far 0 78 0 - 8.4-12.1 HG13 ILE 80 - HB2 ASP 131 far 0 71 0 - 9.5-14.5 QD2 LEU 70 - HB2 ASP 131 far 0 78 0 - 9.6-14.3 QD1 LEU 122 - HB2 ASP 131 far 0 55 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 11158 from aliabs.peaks (0.81, 3.13, 40.83 ppm; 6.80 A): 4 out of 7 assignments used, quality = 1.00: QG2 ILE 80 + HB3 TYR 76 OK 100 100 100 100 4.1-8.1 ~9746=40, 3.1/11154=38...(22) QG2 ILE 129 + HB3 TYR 76 OK 98 98 100 100 4.0-7.2 10486/9096=92...(15) HG13 ILE 80 + HB3 TYR 76 OK 80 100 80 100 5.5-9.3 9745/4.5=52, ~9746=44...(17) QG1 VAL 133 + HB3 TYR 76 OK 73 73 100 100 4.2-6.8 10558/4.5=59...(20) QG2 ILE 32 - HB3 TYR 76 poor 18 73 25 - 6.9-14.6 QD1 LEU 70 - HB3 TYR 76 far 10 100 10 - 7.5-10.9 QD2 LEU 49 - HB3 TYR 76 far 0 87 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 11159 from aliabs.peaks (2.66, 4.31, 59.75 ppm; 5.27 A): 0 out of 1 assignment used, quality = 0.00: HB2 ASP 35 - HA TYR 76 far 10 99 10 - 5.9-17.8 Violated in 20 structures by 6.59 A. Peak 11160 from aliabs.peaks (4.39, 3.13, 40.83 ppm; 5.47 A): 1 out of 6 assignments used, quality = 0.97: HA CYS 73 + HB3 TYR 76 OK 97 97 100 100 1.9-4.6 11789/7029=72...(21) HA SER 33 - HB3 TYR 76 far 15 100 15 - 5.9-17.3 HA ASP 71 - HB3 TYR 76 far 0 60 0 - 7.1-8.5 HA ASP 78 - HB3 TYR 76 far 0 100 0 - 7.5-8.2 HA MET 11 - HB3 TYR 76 far 0 63 0 - 8.7-41.7 HA SER 9 - HB3 TYR 76 far 0 99 0 - 8.7-46.5 Violated in 0 structures by 0.00 A. Peak 11161 from aliabs.peaks (1.13, 2.77, 40.78 ppm; 4.00 A): 2 out of 7 assignments used, quality = 0.97: QG2 VAL 132 + HB2 ASP 131 OK 92 92 100 100 4.1-5.1 4.0/7914=51, ~10516=41...(25) QG1 VAL 132 + HB2 ASP 131 OK 70 100 70 100 2.9-6.3 4.0/7914=51, ~10516=41...(25) HG2 LYS 39 - HB2 TYR 76 far 5 95 5 - 4.5-10.8 QG2 VAL 132 - HB2 TYR 76 far 0 89 0 - 6.2-10.4 QG1 VAL 132 - HB2 TYR 76 far 0 99 0 - 8.1-11.9 HG2 LYS 39 - HB2 ASP 131 far 0 97 0 - 8.5-14.3 HG12 ILE 32 - HB2 TYR 76 far 0 58 0 - 9.2-18.7 Violated in 11 structures by 0.08 A. Peak 11162 from aliabs.peaks (1.97, 6.48, 116.85 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.98: HB ILE 37 + QE TYR 76 OK 85 100 85 100 5.0-12.3 ~9019=98, 2.9/11888=82...(14) HB3 PRO 81 + QE TYR 76 OK 68 78 100 86 4.8-8.2 2.3/9622=33...(11) HB ILE 129 + QE TYR 76 OK 47 60 90 87 6.7-8.6 3.2/9634=32, 3.0/9669=27...(10) HB3 LYS 86 + QE TYR 76 OK 33 89 45 82 6.3-9.2 9825/9746=49...(7) HB3 ARG 90 - QE TYR 76 far 0 76 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 11163 from aliabs.peaks (1.69, 6.48, 116.85 ppm; 6.15 A): 3 out of 4 assignments used, quality = 0.99: HD2 LYS 39 + QE TYR 76 OK 93 93 100 100 4.1-7.1 3.6/9037=69, 5.3/9036=66...(12) HD3 LYS 39 + QE TYR 76 OK 80 81 100 100 3.3-6.6 3.6/9037=69, 5.3/9036=66...(12) HB2 LEU 43 + QE TYR 76 OK 25 97 30 87 6.9-8.8 3.2/11031=61...(7) HG2 ARG 135 - QE TYR 76 far 5 98 5 - 6.7-10.5 Violated in 0 structures by 0.00 A. Peak 11164 from aliabs.peaks (7.33, 4.31, 59.75 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.76: HZ PHE 89 + HA TYR 76 OK 76 81 95 100 4.7-7.0 11139/3.0=80...(11) HE ARG 90 - HA TYR 76 far 0 96 0 - 8.0-11.9 Violated in 10 structures by 0.22 A. Peak 11165 from aliabs.peaks (7.32, 2.76, 40.83 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.89: HZ PHE 89 + HB2 TYR 76 OK 89 89 100 100 1.8-6.4 11139/3.8=71...(16) HE ARG 90 - HB2 TYR 76 far 0 90 0 - 8.4-12.9 HZ PHE 89 - HB2 ASP 131 far 0 86 0 - 9.5-11.0 Violated in 1 structures by 0.05 A. Peak 11166 from aliabs.peaks (7.30, 3.13, 40.83 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 89 + HB3 TYR 76 OK 100 100 100 100 1.9-5.1 2.2/11167=69...(13) Violated in 1 structures by 0.00 A. Peak 11167 from aliabs.peaks (7.40, 3.13, 40.83 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 89 + HB3 TYR 76 OK 99 99 100 100 3.1-5.5 2.2/11166=84...(16) Violated in 1 structures by 0.00 A. Peak 11168 from aliabs.peaks (7.39, 6.48, 116.85 ppm; 6.13 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 89 + QE TYR 76 OK 97 97 100 100 2.1-4.1 10552/10555=90...(20) Violated in 0 structures by 0.00 A. Peak 11169 from aliabs.peaks (6.49, 1.19, 22.02 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 76 + QG2 VAL 77 OK 93 93 100 100 3.9-5.3 5.0/7044=48, ~11170=32...(31) QE TYR 76 + QG2 VAL 77 OK 86 97 90 99 4.6-6.0 9746/9649=37, ~11171=35...(26) Violated in 6 structures by 0.06 A. Peak 11170 from aliabs.peaks (6.47, 1.05, 19.58 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.99: QE TYR 76 + QG1 VAL 77 OK 99 99 100 100 6.0-6.8 9746/9719=70...(22) Violated in 20 structures by 0.57 A. Peak 11171 from aliabs.peaks (6.52, 1.05, 19.58 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.92: QD TYR 76 + QG1 VAL 77 OK 92 92 100 100 4.9-5.8 5.0/7043=79, 4.6/9611=68...(25) Violated in 1 structures by 0.01 A. Peak 11172 from aliabs.peaks (7.34, 1.19, 22.02 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: HE ARG 90 + QG2 VAL 77 OK 100 100 100 100 2.0-4.3 11841=98, 11842/2.1=75...(21) QD PHE 87 - QG2 VAL 77 far 3 68 5 - 5.5-7.2 Violated in 2 structures by 0.02 A. Peak 11173 from aliabs.peaks (7.34, 1.05, 19.58 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: HE ARG 90 + QG1 VAL 77 OK 100 100 100 100 2.1-5.9 11842=99, 9676/2.1=93...(19) QD PHE 87 - QG1 VAL 77 far 0 68 0 - 6.8-8.9 Violated in 1 structures by 0.06 A. Peak 11174 from aliabs.peaks (7.33, 2.34, 31.42 ppm; 5.09 A): 1 out of 2 assignments used, quality = 0.95: HE ARG 90 + HB VAL 77 OK 95 100 95 100 3.7-7.6 11841/2.1=97...(15) QD PHE 87 - HB VAL 77 far 0 85 0 - 8.7-10.8 Violated in 13 structures by 0.77 A. Peak 11175 from aliabs.peaks (6.51, 2.34, 31.42 ppm; 6.39 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 76 + HB VAL 77 OK 100 100 100 100 4.1-5.6 5.0/7042=91...(30) QE TYR 76 + HB VAL 77 OK 60 60 100 100 5.6-7.1 ~11171=72, 6.5/9601=52...(20) Violated in 0 structures by 0.00 A. Peak 11176 from aliabs.peaks (2.22, 3.45, 65.83 ppm; 5.57 A): 3 out of 11 assignments used, quality = 0.93: HB3 GLU 128 + HA ILE 129 OK 77 77 100 100 4.0-5.4 ~4094=69, 10013/4.2=67...(29) HB VAL 133 + HA VAL 77 OK 46 60 90 85 5.3-7.7 11199/2401=52...(13) HB VAL 133 + HA ILE 129 OK 45 46 100 100 5.3-7.0 2.1/10479=80...(26) HB3 LEU 96 - HA ILE 129 poor 11 57 20 - 6.7-9.8 HG2 GLU 91 - HA ILE 129 far 0 83 0 - 7.4-10.2 HB3 GLN 127 - HA ILE 129 far 0 86 0 - 7.5-8.4 HB2 PRO 81 - HA VAL 77 far 0 78 0 - 8.5-10.1 HB2 GLN 82 - HA VAL 77 far 0 97 0 - 8.8-11.6 HB2 PRO 81 - HA ILE 129 far 0 61 0 - 9.8-13.2 HB2 GLN 82 - HA ILE 129 far 0 80 0 - 9.8-14.4 HG2 GLU 91 - HA VAL 77 far 0 99 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 11177 from aliabs.peaks (1.66, 3.45, 65.83 ppm; 5.06 A): 3 out of 12 assignments used, quality = 0.99: QB ALA 88 + HA ILE 129 OK 85 86 100 99 4.2-5.5 9862/3.2=81...(16) HD2 LYS 86 + HA VAL 77 OK 74 99 75 100 3.9-8.1 11180/3.2=56...(43) HD3 LYS 86 + HA VAL 77 OK 73 97 75 100 4.0-8.2 ~11182=46, ~11742=46...(43) HD2 LYS 95 - HA ILE 129 far 0 82 0 - 7.1-13.2 HD3 LYS 95 - HA ILE 129 far 0 86 0 - 7.7-11.9 QB ALA 88 - HA VAL 77 far 0 100 0 - 7.8-9.0 HG LEU 43 - HA ILE 129 far 0 65 0 - 8.3-10.8 HG2 ARG 84 - HA ILE 129 far 0 52 0 - 8.8-13.2 HB2 LEU 69 - HA ILE 129 far 0 77 0 - 8.9-11.2 HG3 ARG 84 - HA ILE 129 far 0 59 0 - 9.0-12.6 HG2 ARG 84 - HA VAL 77 far 0 68 0 - 9.7-14.0 HG LEU 43 - HA VAL 77 far 0 83 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 11178 from aliabs.peaks (1.73, 2.34, 31.42 ppm; 5.17 A): 3 out of 5 assignments used, quality = 0.99: HG3 ARG 90 + HB VAL 77 OK 95 100 95 100 3.8-6.7 11303/2.1=94...(30) HB ILE 80 + HB VAL 77 OK 70 100 70 100 4.7-7.6 9730/3.0=58, ~9725=49...(36) HG13 ILE 129 + HB VAL 77 OK 34 97 50 71 5.4-9.2 3.2/11239=31, ~11203=18...(11) HB2 LEU 70 - HB VAL 77 far 0 63 0 - 8.8-11.6 HB3 LEU 70 - HB VAL 77 far 0 85 0 - 9.2-11.7 Violated in 2 structures by 0.04 A. Peak 11179 from aliabs.peaks (1.67, 2.34, 31.42 ppm; 5.32 A): 2 out of 8 assignments used, quality = 0.72: HD2 LYS 86 + HB VAL 77 OK 63 97 65 100 6.0-9.9 ~11182=68, ~11742=67...(43) HD3 LYS 86 + HB VAL 77 OK 24 95 25 100 4.7-9.8 ~11182=68, ~11742=67...(43) QB ALA 88 - HB VAL 77 far 0 100 0 - 7.8-9.6 HD3 LYS 24 - HB2 PRO 117 far 0 35 0 - 8.0-39.5 HG LEU 62 - HB2 PRO 117 far 0 27 0 - 9.0-16.6 HB2 LEU 123 - HB2 PRO 117 far 0 31 0 - 9.3-12.2 HB2 LEU 98 - HB2 PRO 117 far 0 28 0 - 9.5-14.3 HD2 LYS 24 - HB2 PRO 117 far 0 40 0 - 9.5-40.2 Violated in 18 structures by 1.09 A. Peak 11180 from aliabs.peaks (1.66, 1.05, 19.58 ppm; 3.73 A): 2 out of 7 assignments used, quality = 0.77: HD2 LYS 86 + QG1 VAL 77 OK 65 100 65 100 3.7-7.2 3.0/9650=54, 3.0/9650=53...(39) HD3 LYS 86 + QG1 VAL 77 OK 35 99 35 100 2.5-7.8 3.0/9650=54, 3.0/9650=53...(39) QB ALA 88 - QG1 VAL 77 far 0 100 0 - 7.3-8.8 HD3 LYS 31 - QG1 VAL 77 far 0 100 0 - 8.5-23.5 HD2 LYS 95 - QG1 VAL 77 far 0 100 0 - 9.2-11.7 HD3 LYS 95 - QG1 VAL 77 far 0 100 0 - 9.4-11.9 HD2 LYS 31 - QG1 VAL 77 far 0 100 0 - 9.8-23.3 Violated in 16 structures by 0.85 A. Peak 11181 from aliabs.peaks (1.67, 1.19, 22.02 ppm; 3.40 A): 2 out of 6 assignments used, quality = 0.89: HD2 LYS 86 + QG2 VAL 77 OK 70 93 75 100 3.0-6.5 3.0/11182=52...(38) HD3 LYS 86 + QG2 VAL 77 OK 62 89 70 100 2.1-6.5 3.0/11182=52...(40) QB ALA 88 - QG2 VAL 77 far 0 99 0 - 5.4-6.7 HD3 LYS 95 - QG2 VAL 77 far 0 97 0 - 8.1-10.4 HD2 LYS 95 - QG2 VAL 77 far 0 90 0 - 8.6-11.4 HG LEU 43 - QG2 VAL 77 far 0 65 0 - 9.8-11.9 Violated in 16 structures by 0.61 A. Peak 11182 from aliabs.peaks (1.45, 1.19, 22.02 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.67: HG3 LYS 86 + QG2 VAL 77 OK 67 78 85 100 1.8-6.0 3.0/9663=58...(30) QB ALA 92 - QG2 VAL 77 far 0 73 0 - 5.4-5.9 Violated in 6 structures by 0.46 A. Peak 11183 from aliabs.peaks (1.38, 1.19, 22.02 ppm; 3.62 A): 0 out of 8 assignments used, quality = 0.00: HG LEU 96 - QG2 VAL 77 far 0 85 0 - 7.0-9.8 HB2 LEU 96 - QG2 VAL 77 far 0 100 0 - 7.4-10.1 HB2 LEU 42 - QG2 VAL 77 far 0 100 0 - 8.2-10.7 HG2 LYS 95 - QG2 VAL 77 far 0 97 0 - 8.2-11.4 QB ALA 28 - QG2 VAL 77 far 0 99 0 - 8.3-20.7 QB ALA 12 - QG2 VAL 77 far 0 85 0 - 8.7-29.6 QB ALA 29 - QG2 VAL 77 far 0 100 0 - 8.9-16.6 HG3 LYS 95 - QG2 VAL 77 far 0 99 0 - 9.3-12.0 Violated in 20 structures by 3.36 A. Peak 11184 from aliabs.peaks (1.39, 1.05, 19.58 ppm; 4.61 A): 1 out of 11 assignments used, quality = 0.83: HG2 LYS 86 + QG1 VAL 77 OK 83 83 100 100 3.1-6.0 1.8/9650=93...(35) QB ALA 34 - QG1 VAL 77 lone 0 81 25 1 5.5-12.8 QB ALA 28 - QG1 VAL 77 far 0 98 0 - 6.7-21.4 QB ALA 29 - QG1 VAL 77 far 0 92 0 - 7.4-17.3 HG LEU 96 - QG1 VAL 77 far 0 100 0 - 7.8-9.9 QB ALA 15 - QG1 VAL 77 far 0 96 0 - 7.9-33.5 HB2 LEU 96 - QG1 VAL 77 far 0 95 0 - 8.4-10.9 HB2 LEU 42 - QG1 VAL 77 far 0 83 0 - 8.9-11.2 HG3 LYS 31 - QG1 VAL 77 far 0 99 0 - 9.0-24.2 QB ALA 16 - QG1 VAL 77 far 0 100 0 - 9.1-31.0 HG2 LYS 95 - QG1 VAL 77 far 0 100 0 - 9.4-12.7 Violated in 5 structures by 0.14 A. Peak 11185 from aliabs.peaks (3.79, 1.05, 19.58 ppm; 4.45 A): 1 out of 6 assignments used, quality = 0.97: HA ARG 90 + QG1 VAL 77 OK 97 97 100 100 2.7-4.5 11192/2.1=84...(18) HB3 SER 9 - QG1 VAL 77 far 5 96 5 - 4.2-40.3 HB2 SER 9 - QG1 VAL 77 far 4 71 5 - 5.7-39.7 HA VAL 133 - QG1 VAL 77 far 0 83 0 - 7.9-9.4 HA SER 130 - QG1 VAL 77 far 0 92 0 - 9.0-10.9 HA GLU 97 - QG1 VAL 77 far 0 68 0 - 9.7-11.5 Violated in 2 structures by 0.00 A. Peak 11186 from aliabs.peaks (3.89, 1.05, 19.58 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.98: HA3 GLY 75 + QG1 VAL 77 OK 92 99 100 93 3.2-4.3 3.5/9611=49, 4.9/9592=40...(10) HA LYS 86 + QG1 VAL 77 OK 80 100 80 100 4.6-6.3 11193/2.1=84...(28) HB2 SER 94 - QG1 VAL 77 far 0 95 0 - 6.4-7.4 HB2 SER 33 - QG1 VAL 77 far 0 81 0 - 7.3-19.7 HA LEU 70 - QG1 VAL 77 far 0 100 0 - 7.6-9.0 Violated in 1 structures by 0.00 A. Peak 11187 from aliabs.peaks (4.07, 1.05, 19.58 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.62: HB2 SER 74 + QG1 VAL 77 OK 46 96 55 87 4.5-6.4 3.0/9592=62, 4.6/9593=26...(12) HB3 SER 74 + QG1 VAL 77 OK 30 99 35 88 5.1-6.6 3.0/9592=62, 4.6/9593=26...(13) HA PHE 89 - QG1 VAL 77 far 0 87 0 - 6.2-7.5 HA ALA 92 - QG1 VAL 77 far 0 95 0 - 8.5-9.9 Violated in 20 structures by 0.79 A. Peak 11188 from aliabs.peaks (4.29, 1.05, 19.58 ppm; 3.67 A): 2 out of 6 assignments used, quality = 0.99: HA SER 74 + QG1 VAL 77 OK 97 99 100 97 3.1-4.5 9592=75, 11195/2.1=37...(17) HA TYR 76 + QG1 VAL 77 OK 84 95 90 99 4.8-5.2 3.6/7043=56, 3.0/9611=41...(27) HA PHE 87 - QG1 VAL 77 far 0 73 0 - 5.6-7.9 HA LYS 31 - QG1 VAL 77 far 0 73 0 - 8.1-22.4 HA ALA 16 - QG1 VAL 77 far 0 87 0 - 9.3-37.5 HA ALA 12 - QG1 VAL 77 far 0 98 0 - 9.7-37.6 Violated in 10 structures by 0.10 A. Peak 11189 from aliabs.peaks (4.37, 1.05, 19.58 ppm; 3.72 A): 1 out of 5 assignments used, quality = 0.96: HA ASP 78 + QG1 VAL 77 OK 96 96 100 100 2.9-3.2 9695=81, 2.9/7052=72...(22) HA CYS 73 - QG1 VAL 77 far 10 100 10 - 5.1-6.1 HA SER 9 - QG1 VAL 77 far 5 99 5 - 5.2-40.2 HA SER 33 - QG1 VAL 77 far 0 83 0 - 7.2-18.8 HA LEU 69 - QG1 VAL 77 far 0 73 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 11190 from aliabs.peaks (3.27, 1.19, 22.02 ppm; 4.14 A): 0 out of 1 assignment used, quality = 0.00: HA VAL 93 - QG2 VAL 77 far 14 92 15 - 5.4-7.1 Violated in 20 structures by 2.09 A. Peak 11191 from aliabs.peaks (3.34, 1.19, 22.02 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: HB3 PHE 89 + QG2 VAL 77 OK 99 99 100 100 1.9-4.5 2.7/9677=73, 4.5/9676=42...(26) HB2 PHE 89 + QG2 VAL 77 OK 65 65 100 100 1.8-4.4 2.7/9677=73, 4.5/9676=42...(30) HB3 TYR 72 - QG2 VAL 77 far 0 100 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. Peak 11192 from aliabs.peaks (3.79, 1.19, 22.02 ppm; 3.94 A): 1 out of 8 assignments used, quality = 0.96: HA ARG 90 + QG2 VAL 77 OK 96 97 100 100 1.8-3.3 11185/2.1=59...(20) HA VAL 133 - QG2 VAL 77 far 0 83 0 - 5.8-7.6 HB3 SER 9 - QG2 VAL 77 far 0 96 0 - 6.8-41.5 HA SER 130 - QG2 VAL 77 far 0 92 0 - 7.6-9.0 HB2 SER 9 - QG2 VAL 77 far 0 71 0 - 8.2-40.9 HA GLU 97 - QG2 VAL 77 far 0 68 0 - 9.5-12.1 HA LEU 43 - QG2 VAL 77 far 0 97 0 - 9.8-12.6 HB3 SER 130 - QG2 VAL 77 far 0 90 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 11193 from aliabs.peaks (3.88, 1.19, 22.02 ppm; 3.59 A): 1 out of 6 assignments used, quality = 0.99: HA LYS 86 + QG2 VAL 77 OK 99 99 100 100 2.1-4.2 9818=67, 3.0/9663=61...(28) HD2 PRO 81 - QG2 VAL 77 far 0 65 0 - 5.2-7.0 HA3 GLY 75 - QG2 VAL 77 far 0 93 0 - 5.8-6.7 HB2 SER 94 - QG2 VAL 77 far 0 83 0 - 6.1-8.0 HA LEU 70 - QG2 VAL 77 far 0 100 0 - 7.5-9.1 HB2 SER 33 - QG2 VAL 77 far 0 63 0 - 9.6-19.8 Violated in 3 structures by 0.07 A. Peak 11194 from aliabs.peaks (4.04, 1.19, 22.02 ppm; 4.58 A): 0 out of 7 assignments used, quality = 0.00: HB2 SER 74 - QG2 VAL 77 poor 18 89 20 - 5.3-7.9 HB3 SER 74 - QG2 VAL 77 far 12 81 15 - 5.6-8.2 HD3 PRO 81 - QG2 VAL 77 far 0 100 0 - 6.2-7.8 HA ALA 92 - QG2 VAL 77 far 0 90 0 - 7.3-8.2 HA ILE 37 - QG2 VAL 77 far 0 87 0 - 8.9-15.0 HA LEU 96 - QG2 VAL 77 far 0 92 0 - 9.6-11.1 HA LYS 95 - QG2 VAL 77 far 0 93 0 - 9.8-10.9 Violated in 20 structures by 0.77 A. Peak 11195 from aliabs.peaks (4.29, 1.19, 22.02 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.86: HA SER 74 + QG2 VAL 77 OK 70 100 80 87 3.5-6.0 9592/2.1=65, ~11187=18...(12) HA PHE 87 + QG2 VAL 77 OK 53 81 75 88 4.2-6.0 4.9/11193=36...(17) HA TYR 76 - QG2 VAL 77 far 0 90 0 - 5.9-6.1 HA ASP 131 - QG2 VAL 77 far 0 89 0 - 9.9-11.4 Violated in 16 structures by 0.35 A. Peak 11196 from aliabs.peaks (3.06, 1.19, 22.02 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.80: HE2 LYS 86 + QG2 VAL 77 OK 80 100 80 100 2.3-6.6 11875=77, 1.8/9660=71...(21) Violated in 19 structures by 1.12 A. Peak 11197 from aliabs.peaks (2.71, 1.19, 22.02 ppm; 5.20 A): 3 out of 4 assignments used, quality = 0.97: HB3 ASP 78 + QG2 VAL 77 OK 93 93 100 100 5.1-6.3 11206=83, 7056/7053=82...(26) HB2 CYS 73 + QG2 VAL 77 OK 45 60 90 83 4.5-6.9 9959/9969=29...(18) HB2 ASN 85 + QG2 VAL 77 OK 28 83 50 68 5.7-8.4 9723/9649=35...(6) HB2 CYS 125 - QG2 VAL 77 far 0 81 0 - 8.2-10.8 Violated in 2 structures by 0.01 A. Peak 11198 from aliabs.peaks (2.64, 1.19, 22.02 ppm; 5.10 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLN 134 - QG2 VAL 77 far 0 98 0 - 9.2-11.4 HB2 ASP 71 - QG2 VAL 77 far 0 57 0 - 9.8-12.2 Violated in 20 structures by 4.38 A. Peak 11199 from aliabs.peaks (2.20, 1.19, 22.02 ppm; 5.54 A): 1 out of 5 assignments used, quality = 0.52: HB VAL 133 + QG2 VAL 77 OK 52 97 80 67 5.6-7.5 11223/9649=15, ~9682=14...(12) HG2 GLU 91 - QG2 VAL 77 poor 19 97 20 - 6.0-8.3 HB2 GLN 82 - QG2 VAL 77 far 0 99 0 - 7.6-10.2 HB2 PRO 81 - QG2 VAL 77 far 0 89 0 - 8.3-9.5 HB3 GLU 97 - QG2 VAL 77 far 0 85 0 - 8.9-11.9 Violated in 20 structures by 0.82 A. Peak 11200 from aliabs.peaks (1.92, 1.19, 22.02 ppm; 3.56 A): 2 out of 8 assignments used, quality = 0.99: HB2 ARG 90 + QG2 VAL 77 OK 95 96 100 100 1.8-4.2 2.9/9662=57...(24) HB3 ARG 90 + QG2 VAL 77 OK 68 68 100 100 2.2-4.5 2.9/9662=57...(28) HB2 GLU 30 - QG2 VAL 77 far 0 93 0 - 7.7-24.4 HB3 PRO 81 - QG2 VAL 77 far 0 65 0 - 8.3-9.6 HB3 ARG 84 - QG2 VAL 77 far 0 81 0 - 8.4-10.9 HB2 MET 11 - QG2 VAL 77 far 0 99 0 - 8.7-37.8 HB2 LYS 95 - QG2 VAL 77 far 0 96 0 - 9.0-10.7 HB3 LYS 95 - QG2 VAL 77 far 0 92 0 - 10.0-11.2 Violated in 2 structures by 0.01 A. Peak 11201 from aliabs.peaks (3.07, 1.05, 19.58 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.40: HE2 LYS 86 + QG1 VAL 77 OK 40 99 40 100 2.5-7.7 11876=87, 1.8/9655=74...(19) Violated in 18 structures by 1.48 A. Peak 11202 from aliabs.peaks (3.33, 1.05, 19.58 ppm; 4.63 A): 3 out of 4 assignments used, quality = 0.94: HB2 PHE 89 + QG1 VAL 77 OK 76 95 80 100 4.4-7.1 2.7/9674=78, ~9677=58...(30) HB3 PHE 89 + QG1 VAL 77 OK 64 99 65 100 4.4-7.0 2.7/9674=78, ~9677=58...(24) HB3 CYS 73 + QG1 VAL 77 OK 33 81 50 82 5.4-7.5 3.0/11155=25...(14) HB3 TYR 72 - QG1 VAL 77 far 0 97 0 - 8.2-9.1 Violated in 8 structures by 0.15 A. Peak 11203 from aliabs.peaks (0.82, 1.19, 22.02 ppm; 3.51 A): 3 out of 9 assignments used, quality = 1.00: QG2 ILE 80 + QG2 VAL 77 OK 100 100 100 100 2.0-4.9 2.1/9663=33, 3.1/9649=32...(57) HG13 ILE 80 + QG2 VAL 77 OK 95 100 95 100 4.1-5.1 2.1/9649=42, ~9719=28...(57) QG2 ILE 129 + QG2 VAL 77 OK 80 99 100 81 3.8-4.9 10457/9676=33...(18) QG1 VAL 133 - QG2 VAL 77 far 8 76 10 - 4.9-6.6 QD1 LEU 70 - QG2 VAL 77 far 0 100 0 - 6.7-9.9 QD1 LEU 122 - QG2 VAL 77 far 0 97 0 - 9.2-13.3 QG2 ILE 32 - QG2 VAL 77 far 0 76 0 - 9.5-15.8 QD2 LEU 49 - QG2 VAL 77 far 0 85 0 - 9.6-11.7 QD2 LEU 122 - QG2 VAL 77 far 0 57 0 - 9.7-13.1 Violated in 4 structures by 0.03 A. Peak 11204 from aliabs.peaks (1.17, 4.38, 55.71 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.90: QG2 VAL 77 + HA ASP 78 OK 90 90 100 100 4.1-4.8 2.1/9695=85, 7053/2.9=69...(23) QG2 THR 18 - HA ASP 78 far 0 100 0 - 8.4-36.2 Violated in 13 structures by 0.09 A. Peak 11205 from aliabs.peaks (1.17, 2.50, 39.87 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.83: QG2 VAL 77 + HB2 ASP 78 OK 83 83 100 100 4.8-6.5 2.1/9692=100...(18) QG2 THR 18 - HB2 ASP 78 far 0 100 0 - 8.4-35.6 HG12 ILE 32 - HB2 ASP 78 far 0 96 0 - 9.2-24.6 QG2 VAL 132 - HB2 ASP 78 far 0 68 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 11206 from aliabs.peaks (1.19, 2.72, 39.87 ppm; 4.86 A): 1 out of 10 assignments used, quality = 1.00: QG2 VAL 77 + HB3 ASP 78 OK 100 100 100 100 5.1-6.3 7053/7056=81...(27) HG12 ILE 80 - HB3 ASP 78 poor 19 76 25 - 5.8-9.2 QG2 THR 25 - HB2 ASP 47 far 9 89 10 - 5.6-23.8 QB ALA 41 - HB3 ASP 35 poor 8 50 50 32 4.3-9.2 10936/961=21...(4) QG2 THR 25 - HB3 ASP 35 far 8 51 15 - 4.1-20.7 QG2 THR 18 - HB3 ASP 78 far 0 76 0 - 7.2-35.4 QG2 THR 18 - HB2 ASP 47 far 0 67 0 - 7.2-33.6 QG2 THR 18 - HB3 ASP 35 far 0 36 0 - 7.6-32.0 QB ALA 41 - HB2 ASP 47 far 0 88 0 - 8.2-9.2 HG3 LYS 39 - HB2 ASP 47 far 0 58 0 - 8.8-13.6 Violated in 20 structures by 0.71 A. Peak 11207 from aliabs.peaks (2.09, 2.72, 39.87 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.49: HB3 GLU 44 + HB2 ASP 47 OK 49 70 70 100 4.6-6.4 1.8/11208=68...(7) HB3 GLU 44 - HB3 ASP 35 far 0 38 0 - 6.1-16.9 HG3 GLN 134 - HB2 ASP 47 far 0 78 0 - 6.3-11.8 HB VAL 126 - HB2 ASP 47 far 0 85 0 - 7.7-12.7 Violated in 20 structures by 1.10 A. Peak 11208 from aliabs.peaks (2.03, 2.72, 39.87 ppm; 4.77 A): 1 out of 16 assignments used, quality = 0.74: HB2 GLU 44 + HB2 ASP 47 OK 74 92 80 100 5.0-6.7 1.8/11207=88...(7) HB3 MET 11 - HB3 ASP 78 far 4 87 5 - 5.9-46.2 HB3 GLU 30 - HB3 ASP 78 far 4 83 5 - 4.6-30.8 HB VAL 20 - HB3 ASP 35 far 3 26 10 - 5.6-30.5 HB2 GLU 44 - HB3 ASP 35 far 0 54 0 - 6.4-15.3 HB2 GLN 134 - HB2 ASP 47 far 0 90 0 - 7.0-13.8 QE MET 11 - HB3 ASP 78 far 0 100 0 - 7.2-39.5 HB2 GLN 127 - HB2 ASP 47 far 0 78 0 - 7.4-11.1 HB3 MET 11 - HB3 ASP 35 far 0 43 0 - 8.3-34.6 HB ILE 129 - HB2 ASP 47 far 0 55 0 - 8.4-12.8 HB3 GLU 40 - HB2 ASP 47 far 0 91 0 - 8.6-13.3 HB VAL 20 - HB2 ASP 47 far 0 50 0 - 8.6-33.1 HG2 ARG 90 - HB3 ASP 78 far 0 99 0 - 9.0-11.2 HB3 GLU 40 - HB3 ASP 35 far 0 53 0 - 9.0-15.9 QE MET 11 - HB3 ASP 35 far 0 56 0 - 9.1-31.1 HB3 GLU 30 - HB3 ASP 35 far 0 40 0 - 9.8-15.8 Violated in 20 structures by 1.22 A. Peak 11209 from aliabs.peaks (1.67, 2.72, 39.87 ppm; 4.95 A): 0 out of 24 assignments used, quality = 0.00: HD2 LYS 36 - HB3 ASP 35 poor 19 51 45 84 3.1-9.0 6.1/6390=42...(11) HD2 LYS 86 - HB3 ASP 78 poor 18 89 25 82 5.5-10.6 11780/3.0=35...(6) HD3 LYS 36 - HB3 ASP 35 poor 15 50 30 - 4.6-8.4 HD3 LYS 26 - HB3 ASP 35 poor 13 51 25 - 4.2-25.2 HD2 LYS 26 - HB3 ASP 35 poor 12 48 25 - 3.7-25.8 HD3 LYS 26 - HB2 ASP 47 far 9 89 10 - 5.3-29.1 HD2 LYS 26 - HB2 ASP 47 far 8 85 10 - 5.5-29.1 HD2 LYS 24 - HB3 ASP 35 far 5 50 10 - 4.5-27.4 HD3 LYS 86 - HB3 ASP 78 far 4 83 5 - 5.7-10.5 HD3 LYS 24 - HB3 ASP 35 far 4 40 10 - 3.9-28.9 HD2 LYS 19 - HB2 ASP 47 far 3 67 5 - 4.0-40.3 HD3 LYS 19 - HB2 ASP 47 far 3 63 5 - 5.7-41.8 HD2 LYS 31 - HB3 ASP 35 far 0 43 0 - 6.6-14.8 HD2 LYS 24 - HB2 ASP 47 far 0 88 0 - 7.0-32.1 HD3 LYS 24 - HB2 ASP 47 far 0 74 0 - 7.2-30.7 HD3 LYS 36 - HB2 ASP 47 far 0 88 0 - 7.8-18.1 HD3 LYS 31 - HB3 ASP 35 far 0 47 0 - 7.9-14.4 HB2 LEU 69 - HB2 ASP 47 far 0 67 0 - 7.9-12.0 HD2 LYS 31 - HB2 ASP 47 far 0 78 0 - 8.1-26.2 HD2 LYS 36 - HB2 ASP 47 far 0 89 0 - 8.7-17.5 HD3 LYS 19 - HB3 ASP 35 far 0 33 0 - 8.8-39.1 HD3 LYS 31 - HB3 ASP 78 far 0 92 0 - 9.1-27.8 HD3 LYS 31 - HB2 ASP 47 far 0 83 0 - 9.3-24.8 HD2 LYS 19 - HB3 ASP 35 far 0 36 0 - 9.8-37.6 Violated in 9 structures by 0.22 A. Peak 11210 from aliabs.peaks (3.41, 2.72, 39.87 ppm; 5.02 A): 0 out of 2 assignments used, quality = 0.00: HA VAL 126 - HB2 ASP 47 far 0 67 0 - 9.1-12.7 HA LYS 39 - HB2 ASP 47 far 0 85 0 - 9.2-13.2 Violated in 20 structures by 5.26 A. Peak 11211 from aliabs.peaks (2.32, 4.38, 55.71 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.89: HB VAL 77 + HA ASP 78 OK 89 89 100 100 5.4-5.6 2.1/9695=98...(26) HG3 GLU 30 - HA ASP 78 far 0 92 0 - 8.6-31.6 Violated in 20 structures by 0.26 A. Peak 11212 from aliabs.peaks (0.81, 2.60, 26.84 ppm; 5.21 A): 1 out of 5 assignments used, quality = 0.70: QG2 ILE 80 + HB3 CYS 79 OK 70 100 70 100 4.8-6.8 2.1/11166=80...(27) HG13 ILE 80 - HB3 CYS 79 far 10 100 10 - 6.3-8.0 QG1 VAL 133 - HB3 CYS 79 far 0 65 0 - 6.8-10.4 QG2 ILE 129 - HB3 CYS 79 far 0 96 0 - 8.2-10.8 QG2 ILE 32 - HB3 CYS 79 far 0 65 0 - 9.5-18.2 Violated in 18 structures by 0.93 A. Peak 11213 from aliabs.peaks (0.27, 2.60, 26.84 ppm; 5.80 A): 1 out of 2 assignments used, quality = 0.70: QD1 ILE 80 + HB3 CYS 79 OK 70 100 70 100 4.8-7.7 7077/4.4=84...(27) QG2 VAL 93 - HB3 CYS 79 far 0 87 0 - 8.6-11.2 Violated in 15 structures by 0.98 A. Peak 11214 from aliabs.peaks (0.80, 1.83, 26.84 ppm; 4.98 A): 1 out of 3 assignments used, quality = 0.89: QG2 ILE 80 + HB2 CYS 79 OK 89 89 100 100 4.0-6.4 11212/1.8=64, ~11166=56...(27) HG13 ILE 80 - HB2 CYS 79 far 14 93 15 - 6.3-7.1 QG2 ILE 129 - HB2 CYS 79 far 0 68 0 - 7.1-9.9 Violated in 17 structures by 0.87 A. Peak 11215 from aliabs.peaks (0.27, 1.83, 26.84 ppm; 5.94 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 80 + HB2 CYS 79 OK 98 98 100 100 4.4-7.2 11213/1.8=86...(28) QG2 VAL 93 - HB2 CYS 79 far 0 93 0 - 7.9-10.2 Violated in 14 structures by 0.57 A. Peak 11216 from aliabs.peaks (1.48, 1.74, 38.30 ppm; 5.87 A): 1 out of 2 assignments used, quality = 0.99: HG3 LYS 86 + HB ILE 80 OK 99 99 100 100 1.8-5.7 1.8/9713=95, 9827/3.2=85...(43) HG LEU 42 - HB ILE 80 far 0 100 0 - 8.6-12.7 Violated in 0 structures by 0.00 A. Peak 11217 from aliabs.peaks (1.95, 1.74, 38.30 ppm; 5.57 A): 2 out of 4 assignments used, quality = 1.00: HB3 LYS 86 + HB ILE 80 OK 99 99 100 100 2.8-6.3 3.0/9729=82, 3.0/9713=78...(40) HB3 PRO 81 + HB ILE 80 OK 80 100 80 100 5.0-7.2 ~11265=65, ~11784=63...(41) HB3 ARG 90 - HB ILE 80 far 10 100 10 - 6.4-9.7 HB ILE 37 - HB ILE 80 far 0 85 0 - 9.4-18.2 Violated in 0 structures by 0.00 A. Peak 11218 from aliabs.peaks (2.01, 4.12, 58.62 ppm; 4.16 A): 2 out of 15 assignments used, quality = 1.00: HG2 PRO 81 + HA ILE 80 OK 100 100 100 100 4.4-4.7 2.3/2478=78...(24) HB2 PRO 81 + HA ILE 80 OK 39 40 100 99 4.8-5.6 2.3/11784=70...(22) HB3 MET 11 - HA CYS 79 far 3 59 5 - 3.6-46.8 QE MET 11 - HA CYS 79 far 2 45 5 - 5.4-38.1 HB VAL 63 - HA GLN 101 far 0 49 0 - 7.5-10.5 HG2 ARG 90 - HA ILE 80 far 0 93 0 - 7.9-12.5 QE MET 11 - HA GLN 101 far 0 42 0 - 8.1-40.8 HG3 ARG 135 - HA ILE 80 far 0 73 0 - 8.1-10.9 HB3 GLU 30 - HA GLN 101 far 0 56 0 - 8.3-22.8 HB3 MET 11 - HA ILE 80 far 0 100 0 - 8.3-45.0 HG2 PRO 81 - HA CYS 79 far 0 60 0 - 8.5-8.9 QE MET 11 - HA ILE 80 far 0 85 0 - 9.2-37.5 HB ILE 129 - HA ILE 80 far 0 99 0 - 9.4-11.3 HB2 GLN 134 - HA ILE 80 far 0 96 0 - 9.7-12.0 HG2 ARG 90 - HA CYS 79 far 0 51 0 - 9.8-13.2 Violated in 11 structures by 0.05 A. Peak 11219 from aliabs.peaks (3.18, 0.27, 13.24 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.72: HD2 ARG 90 + QD1 ILE 80 OK 56 96 60 98 2.8-7.3 11244/3.1=61...(19) HD3 ARG 90 + QD1 ILE 80 OK 36 92 40 97 3.4-7.8 ~11244=42, 5.9/11183=30...(19) HD2 ARG 84 - QD1 ILE 80 far 0 97 0 - 6.3-10.0 HD3 ARG 84 - QD1 ILE 80 far 0 97 0 - 6.8-9.7 HB3 CYS 125 - QD1 ILE 80 far 0 76 0 - 9.2-13.4 Violated in 14 structures by 0.77 A. Peak 11220 from aliabs.peaks (3.06, 0.27, 13.24 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: HE2 LYS 86 + QD1 ILE 80 OK 100 100 100 100 3.3-5.8 11878=100, 1.8/11221=82...(39) Violated in 12 structures by 0.15 A. Peak 11221 from aliabs.peaks (2.93, 0.27, 13.24 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.78: HE3 LYS 86 + QD1 ILE 80 OK 78 78 100 100 1.8-5.4 1.8/11220=78...(24) HD2 ARG 135 - QD1 ILE 80 far 15 99 15 - 4.8-11.5 HE3 LYS 39 - QD1 ILE 80 far 5 100 5 - 5.9-11.9 HE2 LYS 39 - QD1 ILE 80 far 0 100 0 - 6.5-12.4 Violated in 10 structures by 0.14 A. Peak 11222 from aliabs.peaks (2.81, 0.27, 13.24 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.88: HB3 ASN 85 + QD1 ILE 80 OK 88 98 90 100 2.3-6.9 11172/3.1=65...(22) Violated in 8 structures by 0.41 A. Peak 11223 from aliabs.peaks (2.21, 0.27, 13.24 ppm; 4.94 A): 3 out of 6 assignments used, quality = 0.92: HB VAL 133 + QD1 ILE 80 OK 66 73 90 100 2.7-7.2 2.1/10588=94...(38) HB2 PRO 81 + QD1 ILE 80 OK 53 81 65 100 5.7-7.0 2.3/11226=61...(35) HB2 GLN 82 + QD1 ILE 80 OK 49 99 50 98 4.9-7.9 ~11310=61...(15) HG2 GLU 91 - QD1 ILE 80 far 0 100 0 - 7.7-11.8 HB3 GLU 128 - QD1 ILE 80 far 0 87 0 - 8.7-13.2 HB3 LEU 96 - QD1 ILE 80 far 0 60 0 - 9.3-12.6 Violated in 4 structures by 0.12 A. Peak 11224 from aliabs.peaks (1.67, 0.27, 13.24 ppm; 4.11 A): 3 out of 10 assignments used, quality = 1.00: HD3 LYS 86 + QD1 ILE 80 OK 90 90 100 100 2.6-5.3 3.0/9720=63...(52) HD2 LYS 86 + QD1 ILE 80 OK 90 95 95 100 3.5-5.9 3.0/9720=63...(51) QB ALA 88 + QD1 ILE 80 OK 58 99 60 97 4.8-7.5 3.7/11184=40...(21) HG3 ARG 84 - QD1 ILE 80 far 0 60 0 - 5.8-10.3 HG LEU 43 - QD1 ILE 80 far 0 68 0 - 7.5-11.7 HD2 LYS 39 - QD1 ILE 80 far 0 97 0 - 7.9-11.8 HD2 LYS 36 - QD1 ILE 80 far 0 99 0 - 9.1-17.3 HB2 LEU 69 - QD1 ILE 80 far 0 85 0 - 9.6-14.1 HD2 LYS 95 - QD1 ILE 80 far 0 92 0 - 9.7-13.6 HD3 LYS 36 - QD1 ILE 80 far 0 99 0 - 10.0-18.0 Violated in 2 structures by 0.04 A. Peak 11225 from aliabs.peaks (1.49, 0.27, 13.24 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.89: HG3 LYS 86 + QD1 ILE 80 OK 89 89 100 100 1.9-4.6 1.8/9720=83, 3.7/9727=63...(46) HG LEU 42 - QD1 ILE 80 far 0 99 0 - 5.8-10.4 HG LEU 69 - QD1 ILE 80 far 0 76 0 - 9.0-12.5 Violated in 1 structures by 0.02 A. Peak 11226 from aliabs.peaks (2.05, 0.27, 13.24 ppm; 4.44 A): 2 out of 9 assignments used, quality = 0.86: HG3 PRO 81 + QD1 ILE 80 OK 80 100 80 100 4.6-6.3 2.3/11178=51...(41) HG2 ARG 90 + QD1 ILE 80 OK 29 60 50 97 2.8-6.7 4.6/11183=38...(19) HG3 ARG 135 - QD1 ILE 80 far 13 85 15 - 5.3-10.0 HB2 PRO 81 - QD1 ILE 80 far 7 72 10 - 5.7-7.0 HB3 LYS 39 - QD1 ILE 80 far 3 65 5 - 5.7-10.0 HG3 GLN 134 - QD1 ILE 80 far 0 71 0 - 6.8-11.8 HB2 GLU 128 - QD1 ILE 80 far 0 60 0 - 7.6-13.5 HB3 GLU 91 - QD1 ILE 80 far 0 85 0 - 8.2-10.7 QE MET 11 - QD1 ILE 80 far 0 73 0 - 9.0-32.9 Violated in 15 structures by 0.28 A. Peak 11227 from aliabs.peaks (3.44, 0.81, 27.07 ppm; 4.94 A): 2 out of 4 assignments used, quality = 0.98: HA VAL 77 + HG13 ILE 80 OK 96 96 100 100 3.5-5.2 9725/2.1=99, 9728/1.8=73...(50) HA VAL 126 + QD2 LEU 49 OK 58 61 100 95 4.3-6.3 3.2/11681=31, ~11615=30...(15) HA ILE 129 - HG13 ILE 80 far 0 90 0 - 6.6-10.6 HA ILE 129 - QD2 LEU 49 far 0 50 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 11229 from aliabs.peaks (3.88, 0.81, 27.07 ppm; 4.98 A): 4 out of 6 assignments used, quality = 1.00: HA LYS 86 + HG13 ILE 80 OK 100 100 100 100 2.7-4.5 9727/2.1=98, 9729/3.0=70...(48) HB3 SER 50 + QD2 LEU 49 OK 60 60 100 100 4.9-6.3 11339/2.1=39...(33) HA ALA 46 + QD2 LEU 49 OK 58 58 100 99 1.7-2.4 10951=68, 10899/3.2=50...(24) HA LEU 70 + QD2 LEU 49 OK 26 61 75 56 5.1-7.5 2.9/11250=33...(9) HA2 GLY 2 - QD2 LEU 49 far 0 55 0 - 8.7-55.2 HA3 GLY 75 - HG13 ILE 80 far 0 98 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 11230 from aliabs.peaks (3.88, 0.81, 17.00 ppm; 3.25 A): 2 out of 16 assignments used, quality = 0.99: HA LYS 86 + QG2 ILE 80 OK 96 97 100 99 2.3-3.8 9727/3.1=41, 9729/2.1=29...(39) HD2 PRO 81 + QG2 ILE 80 OK 70 71 100 99 1.8-3.5 4.0=52, 2478/3.2=24...(41) HA LEU 70 - QG2 ILE 129 far 0 87 0 - 4.9-6.5 HA LYS 86 - QG2 ILE 129 far 0 82 0 - 5.1-6.5 HD2 PRO 81 - QG2 ILE 129 far 0 56 0 - 5.1-7.6 HA ALA 46 - QG2 ILE 129 far 0 76 0 - 5.7-8.4 HA3 GLY 75 - QG2 ILE 80 far 0 90 0 - 6.7-10.1 HA3 GLY 75 - QG2 ILE 129 far 0 74 0 - 7.7-9.0 HB2 SER 94 - QG2 ILE 129 far 0 62 0 - 7.8-9.3 HA LEU 123 - QG2 ILE 129 far 0 53 0 - 8.3-9.4 HB3 SER 50 - QG2 ILE 129 far 0 87 0 - 8.4-11.1 HA2 GLY 2 - QG2 ILE 129 far 0 68 0 - 8.7-59.1 HA LEU 70 - QG2 ILE 80 far 0 100 0 - 8.8-13.0 HA3 GLY 2 - QG2 ILE 129 far 0 67 0 - 8.9-59.5 HA2 GLY 2 - QG2 ILE 80 far 0 85 0 - 9.1-58.8 HB2 SER 94 - QG2 ILE 80 far 0 78 0 - 9.2-12.5 Violated in 0 structures by 0.00 A. Peak 11231 from aliabs.peaks (3.77, 0.81, 17.00 ppm; 3.97 A): 5 out of 12 assignments used, quality = 1.00: HA VAL 133 + QG2 ILE 80 OK 92 99 95 99 3.0-6.4 10590/3.1=45, ~10588=23...(45) HA SER 130 + QG2 ILE 129 OK 87 87 100 100 3.0-3.7 2.9/4143=43, ~7883=36...(36) HA VAL 133 + QG2 ILE 129 OK 76 84 95 95 4.4-5.5 3.2/10482=27, ~11768=23...(29) HB3 SER 130 + QG2 ILE 129 OK 61 87 75 93 4.2-5.7 10508/11245=35...(18) HA ARG 90 + QG2 ILE 129 OK 35 60 80 73 4.2-5.8 10467/4163=25...(14) HA ARG 90 - QG2 ILE 80 far 11 76 15 - 4.7-7.9 HA LEU 43 - QG2 ILE 129 far 9 88 10 - 5.0-7.2 HA SER 130 - QG2 ILE 80 far 0 100 0 - 5.9-10.1 HA LEU 43 - QG2 ILE 80 far 0 100 0 - 7.8-13.1 HB3 SER 130 - QG2 ILE 80 far 0 100 0 - 8.3-12.4 HA GLU 97 - QG2 ILE 129 far 0 77 0 - 8.5-10.0 HB3 SER 9 - QG2 ILE 80 far 0 73 0 - 9.8-42.6 Violated in 0 structures by 0.00 A. Peak 11232 from aliabs.peaks (3.77, 0.82, 16.85 ppm; 4.06 A): 5 out of 15 assignments used, quality = 1.00: HA SER 130 + QG2 ILE 129 OK 99 99 100 100 3.0-3.7 2.9/4143=60, ~7883=38...(36) HA VAL 133 + QG2 ILE 129 OK 97 100 100 97 4.4-5.5 3.2/10482=32...(30) HB3 SER 130 + QG2 ILE 129 OK 86 100 90 96 4.2-5.7 10508/11245=49...(20) HA VAL 133 + QG2 ILE 80 OK 82 88 95 99 3.0-6.4 10590/3.1=48, ~10588=25...(45) HA THR 83 + QG2 ILE 80 OK 24 53 70 63 2.8-6.7 7129/9753=20...(14) HA LEU 43 - QG2 ILE 129 far 10 97 10 - 5.0-7.2 HA SER 130 - QG2 ILE 80 far 0 86 0 - 5.9-10.1 HA LEU 43 - QG2 ILE 80 far 0 82 0 - 7.8-13.1 HA LEU 43 - QG2 ILE 32 far 0 51 0 - 8.1-13.2 HB3 SER 130 - QG2 ILE 80 far 0 86 0 - 8.3-12.4 HA GLU 97 - QG2 ILE 129 far 0 100 0 - 8.5-10.0 HA THR 83 - QG2 ILE 129 far 0 68 0 - 8.9-10.3 HA GLU 97 - QG2 ILE 32 far 0 54 0 - 9.1-15.9 HA SER 130 - QG2 ILE 32 far 0 54 0 - 9.3-14.5 HB3 SER 130 - QG2 ILE 32 far 0 54 0 - 9.4-14.6 Violated in 0 structures by 0.00 A. Peak 11233 from aliabs.peaks (4.06, 0.27, 13.24 ppm; 4.32 A): 2 out of 5 assignments used, quality = 0.91: HA PHE 89 + QD1 ILE 80 OK 74 78 95 100 3.9-7.3 3.1/9747=71...(28) HD3 PRO 81 + QD1 ILE 80 OK 65 65 100 100 3.4-5.3 3.8/2472=62...(36) HB2 SER 74 - QD1 ILE 80 far 0 99 0 - 7.8-9.8 HB3 SER 74 - QD1 ILE 80 far 0 100 0 - 8.1-10.1 HA ALA 92 - QD1 ILE 80 far 0 98 0 - 8.3-11.6 Violated in 4 structures by 0.07 A. Peak 11236 from aliabs.peaks (2.83, 0.81, 17.00 ppm; 3.38 A): 1 out of 4 assignments used, quality = 0.87: HB3 ASN 85 + QG2 ILE 80 OK 87 98 90 98 2.5-5.7 1.8/11237=72, 9793=31...(23) HB3 ASN 85 - QG2 ILE 129 far 4 83 5 - 4.6-8.0 HB3 ASP 47 - QG2 ILE 129 far 0 86 0 - 8.5-11.5 HB3 ASP 71 - QG2 ILE 129 far 0 64 0 - 8.6-10.3 Violated in 10 structures by 0.59 A. Peak 11237 from aliabs.peaks (2.69, 0.81, 17.00 ppm; 3.35 A): 1 out of 5 assignments used, quality = 0.63: HB2 ASN 85 + QG2 ILE 80 OK 63 100 65 97 3.6-6.5 1.8/11236=70, 9791=27...(21) HB2 ASN 85 - QG2 ILE 129 far 0 86 0 - 5.4-7.2 HB3 ASP 78 - QG2 ILE 80 far 0 60 0 - 5.8-7.9 HB2 ASP 47 - QG2 ILE 129 far 0 62 0 - 7.6-11.8 HB3 ASP 78 - QG2 ILE 129 far 0 47 0 - 8.5-10.2 Violated in 20 structures by 1.40 A. Peak 11239 from aliabs.peaks (2.33, 0.81, 17.00 ppm; 4.49 A): 3 out of 10 assignments used, quality = 0.92: HB VAL 77 + QG2 ILE 129 OK 70 80 100 88 4.2-5.7 9671/10457=40...(14) HB VAL 77 + QG2 ILE 80 OK 62 96 65 100 3.8-7.2 ~9725=36, ~9719=34...(49) HG2 GLU 128 + QG2 ILE 129 OK 31 79 40 100 4.6-7.7 11399/9946=54...(24) HB3 GLN 134 - QG2 ILE 129 far 0 88 0 - 6.8-8.9 HG2 GLN 127 - QG2 ILE 129 far 0 76 0 - 7.6-8.5 HB3 GLN 134 - QG2 ILE 80 far 0 100 0 - 7.8-11.4 HG2 GLU 128 - QG2 ILE 80 far 0 95 0 - 8.2-13.1 HG3 GLN 68 - QG2 ILE 129 far 0 83 0 - 9.0-12.8 HG3 GLU 30 - QG2 ILE 129 far 0 67 0 - 9.8-19.8 HB3 GLN 101 - QG2 ILE 129 far 0 51 0 - 9.9-13.4 Violated in 8 structures by 0.08 A. Peak 11240 from aliabs.peaks (1.95, 0.81, 17.00 ppm; 3.54 A): 2 out of 11 assignments used, quality = 0.95: HB3 LYS 86 + QG2 ILE 80 OK 83 97 85 100 1.7-6.0 3.0/11230=34...(47) HB3 PRO 81 + QG2 ILE 80 OK 69 100 70 100 4.0-6.4 2.3/9735=31...(44) HB3 ARG 90 - QG2 ILE 80 far 0 100 0 - 6.0-8.4 HB3 ARG 90 - QG2 ILE 129 far 0 87 0 - 6.0-7.8 HB2 MET 11 - QG2 ILE 80 far 0 60 0 - 7.0-40.3 HB3 LYS 86 - QG2 ILE 129 far 0 82 0 - 7.1-8.9 HB2 LYS 95 - QG2 ILE 129 far 0 82 0 - 7.2-9.0 HB ILE 37 - QG2 ILE 129 far 0 62 0 - 7.6-11.0 HB3 PRO 81 - QG2 ILE 129 far 0 86 0 - 7.7-10.9 HB3 LYS 95 - QG2 ILE 129 far 0 85 0 - 8.4-10.1 HB ILE 37 - QG2 ILE 80 far 0 78 0 - 8.9-16.3 Violated in 8 structures by 0.30 A. Peak 11241 from aliabs.peaks (1.66, 0.81, 17.00 ppm; 3.48 A): 2 out of 19 assignments used, quality = 0.93: HD2 LYS 86 + QG2 ILE 80 OK 75 100 75 100 2.3-6.3 3.0/11243=37...(45) HD3 LYS 86 + QG2 ILE 80 OK 74 100 75 99 2.0-6.5 3.0/11243=37...(45) HG2 ARG 84 - QG2 ILE 80 poor 16 81 20 - 4.7-9.9 QB ALA 88 - QG2 ILE 129 far 4 86 5 - 4.5-6.4 HB2 LEU 69 - QG2 ILE 129 far 0 84 0 - 5.2-8.3 HG3 ARG 84 - QG2 ILE 80 far 0 87 0 - 5.3-9.8 QB ALA 88 - QG2 ILE 80 far 0 100 0 - 5.9-6.6 HG LEU 43 - QG2 ILE 129 far 0 76 0 - 6.1-8.1 HG LEU 43 - QG2 ILE 80 far 0 92 0 - 6.9-11.8 HD2 LYS 36 - QG2 ILE 129 far 0 87 0 - 7.0-13.5 HD2 LYS 39 - QG2 ILE 80 far 0 81 0 - 7.0-11.5 HD2 LYS 95 - QG2 ILE 129 far 0 87 0 - 7.3-11.4 HD3 LYS 95 - QG2 ILE 129 far 0 88 0 - 7.5-10.3 HD3 LYS 86 - QG2 ILE 129 far 0 86 0 - 7.8-9.7 HD3 LYS 36 - QG2 ILE 129 far 0 87 0 - 7.9-14.7 HD2 LYS 86 - QG2 ILE 129 far 0 87 0 - 8.1-9.7 HG3 ARG 84 - QG2 ILE 129 far 0 70 0 - 8.4-12.0 HG2 ARG 84 - QG2 ILE 129 far 0 64 0 - 8.8-12.2 HD2 LYS 39 - QG2 ILE 129 far 0 64 0 - 9.0-11.1 Violated in 11 structures by 0.53 A. Peak 11242 from aliabs.peaks (3.31, 0.81, 17.00 ppm; 3.95 A): 3 out of 4 assignments used, quality = 1.00: HB2 PHE 89 + QG2 ILE 80 OK 95 97 100 98 2.6-4.9 9724/3.1=29, ~9747=28...(32) HB3 CYS 73 + QG2 ILE 129 OK 80 87 100 92 2.0-4.3 3.0/11142=25, 11144=18...(31) HB2 PHE 89 + QG2 ILE 129 OK 80 82 100 97 3.5-4.8 4.7/9862=38...(28) HB3 CYS 73 - QG2 ILE 80 far 15 100 15 - 5.0-10.7 Violated in 0 structures by 0.00 A. Peak 11243 from aliabs.peaks (3.06, 0.81, 17.00 ppm; 4.55 A): 1 out of 3 assignments used, quality = 0.90: HE2 LYS 86 + QG2 ILE 80 OK 90 100 90 100 3.0-7.3 11877=72, 11878/3.1=56...(37) HE2 LYS 86 - QG2 ILE 129 far 0 87 0 - 7.2-10.8 HB3 HIS 5 - QG2 ILE 80 far 0 100 0 - 8.5-51.3 Violated in 7 structures by 0.48 A. Peak 11244 from aliabs.peaks (3.18, 0.81, 17.00 ppm; 4.55 A): 1 out of 11 assignments used, quality = 0.27: HD2 ARG 90 + QG2 ILE 80 OK 27 92 35 85 5.3-8.7 11219/3.1=39, ~11219=17...(16) HD3 ARG 84 - QG2 ILE 80 poor 20 99 20 - 5.7-10.1 HD3 ARG 90 - QG2 ILE 80 far 13 87 15 - 5.5-9.5 HB3 CYS 125 - QG2 ILE 129 far 7 67 10 - 5.9-7.9 HD2 ARG 84 - QG2 ILE 80 far 0 99 0 - 6.1-10.7 HD3 ARG 90 - QG2 ILE 129 far 0 70 0 - 6.9-9.3 HD2 ARG 90 - QG2 ILE 129 far 0 76 0 - 7.0-9.7 HD2 ARG 84 - QG2 ILE 129 far 0 84 0 - 8.4-12.6 HD3 ARG 84 - QG2 ILE 129 far 0 84 0 - 8.5-12.2 HB3 HIS 3 - QG2 ILE 80 far 0 83 0 - 8.7-54.8 HB3 CYS 125 - QG2 ILE 80 far 0 83 0 - 9.7-15.6 Violated in 20 structures by 2.34 A. Peak 11245 from aliabs.peaks (1.33, 0.82, 16.85 ppm; 3.65 A): 1 out of 7 assignments used, quality = 0.59: QB ALA 46 + QG2 ILE 129 OK 59 98 65 92 3.3-5.7 11711/4163=55...(12) QB ALA 21 - QG2 ILE 32 far 0 45 0 - 5.4-16.7 QB ALA 46 - QG2 ILE 32 far 0 52 0 - 6.7-9.9 QB ALA 46 - QG2 ILE 80 far 0 83 0 - 7.1-11.9 QB ALA 12 - QG2 ILE 32 far 0 27 0 - 7.9-19.1 QB ALA 12 - QG2 ILE 80 far 0 47 0 - 8.2-31.1 QB ALA 12 - QG2 ILE 129 far 0 60 0 - 9.5-28.0 Violated in 18 structures by 1.10 A. Peak 11246 from aliabs.peaks (2.68, 1.74, 38.30 ppm; 5.63 A): 1 out of 2 assignments used, quality = 0.76: HB2 ASN 85 + HB ILE 80 OK 76 95 80 100 3.6-8.4 11173/2.1=99, ~11236=91...(15) HG2 GLN 134 - HB ILE 80 far 0 60 0 - 8.8-13.6 Violated in 17 structures by 0.98 A. Peak 11247 from aliabs.peaks (3.77, 1.21, 27.07 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: HA VAL 133 + HG12 ILE 80 OK 100 100 100 100 3.9-7.8 10590/2.1=100, ~10588=88...(32) HA THR 83 + HG12 ILE 80 OK 28 63 100 45 4.2-7.5 7150/9829=10...(7) HA SER 130 + HG12 ILE 80 OK 24 100 55 45 7.2-11.5 9624/9744=20...(5) HA LEU 43 - HG12 ILE 80 far 0 99 0 - 9.8-15.4 Violated in 0 structures by 0.00 A. Peak 11248 from aliabs.peaks (3.85, 1.21, 27.07 ppm; 5.66 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 81 + HG12 ILE 80 OK 100 100 100 100 3.1-4.9 2478/4.1=85, 4.8/7075=77...(32) HA GLU 40 - HG12 ILE 80 far 0 85 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 11249 from aliabs.peaks (8.31, 0.81, 27.07 ppm; 5.99 A): 4 out of 9 assignments used, quality = 0.91: H LEU 49 + QD2 LEU 49 OK 59 59 100 100 3.1-3.6 5.0=100 H LEU 69 + QD2 LEU 49 OK 57 58 100 98 3.0-5.4 3.6/11250=40...(25) H TYR 72 + QD2 LEU 49 OK 31 52 80 74 6.2-8.3 6974/11250=30...(13) H VAL 126 + QD2 LEU 49 OK 26 31 100 83 4.4-7.0 2.9/11227=33...(11) H GLU 44 - QD2 LEU 49 poor 8 36 65 36 6.8-8.5 ~9163=13, 9132/9176=10...(6) H LEU 43 - QD2 LEU 49 far 7 44 15 - 7.4-8.8 H GLU 40 - HG13 ILE 80 far 0 83 0 - 8.1-14.5 H LEU 43 - HG13 ILE 80 far 0 83 0 - 8.6-14.6 H SER 99 - QD2 LEU 49 far 0 50 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 11250 from aliabs.peaks (8.47, 0.81, 27.07 ppm; 5.34 A): 2 out of 6 assignments used, quality = 0.76: H LEU 70 + QD2 LEU 49 OK 54 58 100 92 4.0-6.5 6941/11034=28, 6950=28...(19) H ASP 47 + QD2 LEU 49 OK 48 51 100 94 4.4-5.2 3.6/10951=50...(20) H VAL 132 - HG13 ILE 80 far 15 100 15 - 6.6-11.3 H LEU 100 - QD2 LEU 49 far 0 51 0 - 7.4-10.3 H GLU 97 - QD2 LEU 49 far 0 38 0 - 7.6-10.5 H VAL 132 - QD2 LEU 49 far 0 61 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 11251 from aliabs.peaks (8.15, 0.27, 13.24 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.93: H VAL 133 + QD1 ILE 80 OK 84 99 85 100 3.9-8.4 7935/10588=87...(28) H GLU 91 + QD1 ILE 80 OK 55 68 85 95 5.6-8.3 4.0/11183=63...(19) Violated in 5 structures by 0.14 A. Peak 11252 from aliabs.peaks (8.45, 0.27, 13.24 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.83: H VAL 132 + QD1 ILE 80 OK 60 81 75 100 5.0-9.8 3.8/9722=79...(13) H VAL 93 + QD1 ILE 80 OK 56 92 95 64 6.1-9.1 7262/9726=28...(6) H ALA 12 - QD1 ILE 80 far 0 100 0 - 7.8-38.7 Violated in 11 structures by 0.36 A. Peak 11253 from aliabs.peaks (8.53, 0.27, 13.24 ppm; 5.05 A): 0 out of 0 assignments used, quality = 0.00: Peak 11254 from aliabs.peaks (0.81, 4.04, 50.95 ppm; 4.37 A): 3 out of 4 assignments used, quality = 1.00: HG13 ILE 80 + HD3 PRO 81 OK 100 100 100 100 1.9-5.5 2.1/11178=50, ~11248=38...(36) QG2 ILE 80 + HD3 PRO 81 OK 99 99 100 100 2.3-3.9 4.0=100 QG1 VAL 133 + HD3 PRO 81 OK 47 57 90 92 3.8-6.2 ~11757=52, ~10575=18...(17) QG2 ILE 129 - HD3 PRO 81 far 9 92 10 - 5.7-8.1 Violated in 0 structures by 0.00 A. Peak 11255 from aliabs.peaks (0.94, 4.04, 50.95 ppm; 5.58 A): 0 out of 1 assignment used, quality = 0.00: QG2 ILE 37 - HD3 PRO 81 far 5 99 5 - 6.9-13.5 Violated in 20 structures by 4.66 A. Peak 11256 from aliabs.peaks (0.81, 3.85, 50.95 ppm; 4.88 A): 3 out of 9 assignments used, quality = 1.00: HG13 ILE 80 + HD2 PRO 81 OK 99 99 100 100 1.5-4.4 4.1/2478=70...(38) QG2 ILE 80 + HD2 PRO 81 OK 98 98 100 100 1.8-3.5 4.0=100 QD1 LEU 103 + HD2 PRO 117 OK 34 66 65 80 4.0-10.8 10232/3668=39...(13) QD2 LEU 119 - HD2 PRO 117 far 13 84 15 - 4.1-8.2 QG2 ILE 129 - HD2 PRO 81 poor 11 87 45 28 5.1-7.6 10482/11757=16...(5) QD2 LEU 122 - HD2 PRO 117 far 0 78 0 - 7.0-11.1 QD1 LEU 122 - HD2 PRO 117 far 0 98 0 - 7.2-10.9 QD1 LEU 53 - HD2 PRO 117 far 0 90 0 - 8.4-13.9 QG1 VAL 63 - HD2 PRO 117 far 0 69 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 11257 from aliabs.peaks (3.85, 2.25, 32.41 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.52: * HD2 PRO 81 + HB2 PRO 81 OK 52 52 100 100 3.0-4.0 3.0=100 HA GLU 40 - HB2 PRO 81 far 0 36 0 - 7.7-15.1 Violated in 0 structures by 0.00 A. Peak 11258 from aliabs.peaks (2.26, 4.33, 40.66 ppm; 3.26 A): 1 out of 2 assignments used, quality = 0.49: * HB2 PRO 81 + HA PRO 81 OK 49 49 100 100 2.3-2.7 2.3=100 HB VAL 132 - HA PRO 81 far 0 78 0 - 7.7-11.1 Violated in 0 structures by 0.00 A. Peak 11259 from aliabs.peaks (2.25, 2.25, 32.41 ppm; diagonal): 1 out of 1 assignment used, quality = 0.22: * HB2 PRO 81 + HB2 PRO 81 OK 22 22 - 100 Peak 11260 from aliabs.peaks (2.00, 2.25, 32.41 ppm; 3.64 A): 1 out of 5 assignments used, quality = 0.51: HG2 PRO 81 + HB2 PRO 81 OK 51 51 100 100 2.3-3.0 2.3=100 HB2 GLN 134 - HB2 PRO 81 far 0 39 0 - 7.1-12.1 HB3 GLU 40 - HB2 PRO 81 far 0 38 0 - 8.3-16.7 QE MET 11 - HB2 PRO 81 far 0 30 0 - 9.7-41.2 HB3 MET 11 - HB2 PRO 81 far 0 48 0 - 9.9-49.2 Violated in 0 structures by 0.00 A. Peak 11261 from aliabs.peaks (2.02, 2.25, 32.41 ppm; 3.65 A): 2 out of 7 assignments used, quality = 0.58: HG2 PRO 81 + HB2 PRO 81 OK 39 39 100 100 2.3-3.0 2.3=100 HG3 PRO 81 + HB2 PRO 81 OK 30 30 100 100 2.3-3.0 2.3=100 HG3 ARG 135 - HB2 PRO 81 far 0 49 0 - 5.9-9.9 HB2 GLN 134 - HB2 PRO 81 far 0 51 0 - 7.1-12.1 HB3 GLU 40 - HB2 PRO 81 far 0 52 0 - 8.3-16.7 QE MET 11 - HB2 PRO 81 far 0 52 0 - 9.7-41.2 HB3 MET 11 - HB2 PRO 81 far 0 46 0 - 9.9-49.2 Violated in 0 structures by 0.00 A. Peak 11262 from aliabs.peaks (2.01, 4.33, 40.66 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.99: HG2 PRO 81 + HA PRO 81 OK 98 100 100 99 3.9-4.0 3.8=96, 11914/3.6=42...(4) HB2 PRO 81 + HA PRO 81 OK 38 38 100 100 2.3-2.7 2.3=100 HG3 ARG 135 - HA PRO 81 far 0 68 0 - 8.0-11.2 HB3 MET 11 - HA PRO 81 far 0 99 0 - 8.1-49.2 QE MET 11 - HA PRO 81 far 0 80 0 - 8.2-41.0 HB2 GLN 134 - HA PRO 81 far 0 93 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. Peak 11263 from aliabs.peaks (2.04, 4.33, 40.66 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.99: HG3 PRO 81 + HA PRO 81 OK 96 96 100 100 3.9-4.0 3.8=100 HB2 PRO 81 + HA PRO 81 OK 62 62 100 100 2.3-2.7 2.3=100 HG3 ARG 135 - HA PRO 81 far 0 99 0 - 8.0-11.2 HB3 MET 11 - HA PRO 81 far 0 68 0 - 8.1-49.2 QE MET 11 - HA PRO 81 far 0 96 0 - 8.2-41.0 HB2 GLN 134 - HA PRO 81 far 0 87 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. Peak 11264 from aliabs.peaks (4.04, 2.25, 32.41 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.52: HD3 PRO 81 + HB2 PRO 81 OK 52 52 100 100 3.0-3.9 3.0=100 HA ARG 135 - HB2 PRO 81 far 5 34 15 - 5.1-10.5 Violated in 0 structures by 0.00 A. Peak 11265 from aliabs.peaks (4.13, 2.25, 32.41 ppm; 4.55 A): 1 out of 3 assignments used, quality = 0.48: HA ILE 80 + HB2 PRO 81 OK 48 48 100 100 4.8-5.6 11784/2.3=80...(26) HA CYS 79 - HB2 PRO 81 far 0 25 0 - 7.7-8.8 HB THR 83 - HB2 PRO 81 far 0 41 0 - 8.7-10.5 Violated in 20 structures by 0.38 A. Peak 11266 from aliabs.peaks (4.33, 2.25, 32.41 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.52: HA PRO 81 + HB2 PRO 81 OK 52 52 100 100 2.3-2.7 2.3=100 HA GLN 134 - HB2 PRO 81 far 0 33 0 - 5.2-10.0 HA TYR 76 - HB2 PRO 81 far 0 33 0 - 9.1-11.4 HA ASP 131 - HB2 PRO 81 far 0 34 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 11267 from aliabs.peaks (3.86, 4.33, 40.66 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.99: HD2 PRO 81 + HA PRO 81 OK 99 99 100 100 3.6-4.1 3.6=100 HA LYS 86 - HA PRO 81 far 0 60 0 - 6.6-8.7 HA GLU 40 - HA PRO 81 far 0 63 0 - 9.7-16.0 Violated in 0 structures by 0.00 A. Peak 11268 from aliabs.peaks (4.05, 4.33, 40.66 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.97: HD3 PRO 81 + HA PRO 81 OK 97 97 100 100 3.6-4.1 3.6=100 HA ARG 135 - HA PRO 81 far 0 60 0 - 7.1-12.3 Violated in 0 structures by 0.00 A. Peak 11269 from aliabs.peaks (4.34, 4.33, 40.66 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * HA PRO 81 + HA PRO 81 OK 97 97 - 100 Peak 11270 from aliabs.peaks (2.25, 1.94, 32.41 ppm; 2.98 A): 1 out of 16 assignments used, quality = 0.50: HB2 PRO 81 + HB3 PRO 81 OK 50 50 100 100 1.8-1.8 1.8=100 HG2 GLN 61 - HB2 PRO 58 poor 8 42 20 - 4.0-7.1 HB3 LEU 96 - HB2 LYS 95 far 7 67 10 - 4.4-6.6 HB3 PRO 113 - HB2 PRO 58 far 0 57 0 - 4.7-12.6 HB3 LEU 96 - HB3 LYS 95 far 0 71 0 - 4.9-7.5 HG2 GLU 97 - HB2 LYS 95 far 0 67 0 - 5.8-9.2 HB VAL 132 - HB3 PRO 81 far 0 55 0 - 5.9-9.9 HG2 GLU 97 - HB3 LYS 95 far 0 71 0 - 6.1-9.2 HB3 GLU 128 - HB2 LYS 95 far 0 53 0 - 6.7-8.8 HB2 PRO 81 - HB3 LYS 86 far 0 40 0 - 6.7-10.7 HB VAL 132 - HB3 LYS 86 far 0 45 0 - 7.0-9.8 HG2 GLU 30 - HB2 PRO 58 far 0 63 0 - 7.6-25.2 HB3 GLU 128 - HB3 LYS 95 far 0 56 0 - 7.7-10.0 HB3 GLN 104 - HB2 PRO 58 far 0 48 0 - 9.4-13.9 HB3 GLN 127 - HB2 LYS 95 far 0 37 0 - 9.7-12.8 HB3 GLU 102 - HB3 LYS 95 far 0 51 0 - 9.7-12.0 Reference assignment not found: HB2 PRO 81 - HB2 PRO 81 Violated in 0 structures by 0.00 A. Peak 11271 from aliabs.peaks (1.95, 4.33, 40.66 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: HB3 PRO 81 + HA PRO 81 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 LYS 86 - HA PRO 81 far 0 97 0 - 5.8-9.6 HB2 MET 11 - HA PRO 81 far 0 60 0 - 7.9-50.4 HB ILE 37 - HA PRO 81 far 0 78 0 - 9.8-19.2 Violated in 0 structures by 0.00 A. Peak 11272 from aliabs.peaks (1.95, 2.25, 32.41 ppm; 2.92 A): 1 out of 3 assignments used, quality = 0.52: * HB3 PRO 81 + HB2 PRO 81 OK 52 52 100 100 1.8-1.8 1.8=100 HB3 LYS 86 - HB2 PRO 81 far 0 52 0 - 6.7-10.7 HB ILE 37 - HB2 PRO 81 far 0 43 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 11274 from aliabs.peaks (1.95, 1.94, 32.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 PRO 81 + HB3 PRO 81 OK 97 97 - 100 HB2 PRO 58 + HB2 PRO 58 OK 84 84 - 100 HB3 LYS 86 + HB3 LYS 86 OK 82 82 - 100 HB3 LYS 95 + HB3 LYS 95 OK 69 69 - 100 HB2 LYS 95 + HB2 LYS 95 OK 61 61 - 100 Reference assignment not found: HB3 PRO 81 - HB2 PRO 81 Peak 11275 from aliabs.peaks (2.02, 1.94, 32.41 ppm; 4.74 A): 5 out of 32 assignments used, quality = 1.00: HG2 PRO 58 + HB2 PRO 58 OK 84 84 100 100 2.3-2.7 2.3=100 HG2 PRO 81 + HB3 PRO 81 OK 81 81 100 100 2.3-3.0 2.3=100 HG3 PRO 81 + HB3 PRO 81 OK 65 65 100 100 2.3-2.7 2.3=100 HG2 ARG 90 + HB3 LYS 86 OK 54 85 65 97 3.5-8.2 1.8/2826=37...(22) HB2 PRO 81 + HB3 PRO 81 OK 47 47 100 100 1.8-1.8 1.8=100 HB3 GLU 91 - HB2 LYS 95 poor 18 67 35 76 5.4-7.4 11316/9948=33...(9) HG3 ARG 135 - HB3 PRO 81 far 14 94 15 - 5.6-9.9 HG2 PRO 81 - HB3 LYS 86 far 10 68 15 - 4.7-9.7 HG3 PRO 81 - HB3 LYS 86 far 5 54 10 - 5.3-9.9 QE MET 11 - HB2 PRO 58 far 4 83 5 - 5.5-38.9 HB3 GLU 91 - HB3 LYS 95 far 4 71 5 - 5.5-8.8 HB3 GLU 30 - HB2 PRO 58 far 0 73 0 - 6.4-27.0 HB2 PRO 81 - HB3 LYS 86 far 0 38 0 - 6.7-10.7 HB VAL 63 - HB2 PRO 58 far 0 83 0 - 6.9-8.8 HB3 PRO 56 - HB2 PRO 58 far 0 55 0 - 7.5-9.5 HB ILE 129 - HB2 LYS 95 far 0 47 0 - 7.6-10.1 HB2 GLN 134 - HB3 PRO 81 far 0 96 0 - 7.7-13.0 HB3 PRO 117 - HB3 LYS 95 far 0 58 0 - 7.7-12.9 HB VAL 20 - HB2 PRO 58 far 0 55 0 - 8.0-35.4 HG2 PRO 117 - HB3 LYS 95 far 0 41 0 - 8.2-14.1 HG2 ARG 90 - HB2 LYS 95 far 0 70 0 - 8.3-12.5 HB ILE 129 - HB3 LYS 95 far 0 51 0 - 8.6-11.2 HB3 MET 11 - HB2 PRO 58 far 0 76 0 - 9.0-47.0 HB3 GLU 91 - HB3 LYS 86 far 0 82 0 - 9.0-11.2 HG2 PRO 56 - HB2 PRO 58 far 0 69 0 - 9.1-10.7 HB3 PRO 117 - HB2 LYS 95 far 0 54 0 - 9.2-14.4 HG3 ARG 135 - HB3 LYS 86 far 0 82 0 - 9.2-12.8 HG3 PRO 117 - HB3 LYS 95 far 0 41 0 - 9.2-14.2 HB3 GLU 40 - HB3 PRO 81 far 0 97 0 - 9.2-18.1 HB2 GLN 127 - HB2 LYS 95 far 0 44 0 - 9.2-12.8 HG2 PRO 117 - HB2 LYS 95 far 0 38 0 - 9.7-15.7 HG2 ARG 90 - HB3 PRO 81 far 0 97 0 - 10.0-15.1 Violated in 0 structures by 0.00 A. Peak 11276 from aliabs.peaks (3.87, 1.94, 32.41 ppm; 4.14 A): 2 out of 10 assignments used, quality = 0.96: HD2 PRO 81 + HB3 PRO 81 OK 89 89 100 100 3.9-4.0 3.0=100 HA LYS 86 + HB3 LYS 86 OK 60 60 100 100 2.2-3.0 3.0=100 HD2 PRO 81 - HB3 LYS 86 poor 15 76 20 - 4.1-8.5 HA2 GLY 114 - HB2 PRO 58 far 10 69 15 - 4.2-14.7 HA LYS 86 - HB3 PRO 81 far 0 72 0 - 6.2-8.9 HA LEU 123 - HB2 LYS 95 far 0 60 0 - 8.4-11.2 HA LEU 123 - HB3 LYS 95 far 0 64 0 - 8.5-11.3 HA LEU 70 - HB2 LYS 95 far 0 57 0 - 8.6-10.3 HA LEU 70 - HB3 LYS 95 far 0 61 0 - 9.2-11.1 HD2 PRO 117 - HB3 LYS 95 far 0 70 0 - 9.7-15.2 Violated in 0 structures by 0.00 A. Peak 11277 from aliabs.peaks (4.04, 1.94, 32.41 ppm; 4.76 A): 10 out of 21 assignments used, quality = 1.00: HD3 PRO 81 + HB3 PRO 81 OK 97 97 100 100 3.0-4.0 3.0=100 HA LYS 95 + HB3 LYS 95 OK 63 63 100 100 2.2-2.8 3.0=100 HA ALA 92 + HB3 LYS 95 OK 63 63 100 100 3.8-5.2 ~9948=55, 2894/4.0=50...(19) HA LEU 96 + HB3 LYS 95 OK 62 64 100 97 3.9-5.7 2.9/7317=36, ~7316=26...(37) HA LYS 95 + HB2 LYS 95 OK 59 59 100 100 2.5-3.0 3.0=100 HA ALA 92 + HB2 LYS 95 OK 59 59 100 100 2.5-4.4 2.1/9948=62, 2894/4.0=50...(21) HA LEU 96 + HB2 LYS 95 OK 58 60 100 96 4.0-4.9 2.9/7317=36, ~7317=26...(35) HA SER 60 + HB2 PRO 58 OK 39 42 95 99 4.7-6.7 2.8/9332=53, ~9330=45...(17) HA LEU 122 + HB3 LYS 95 OK 29 74 85 46 3.8-7.2 3862/4.6=14...(13) HA LEU 122 + HB2 LYS 95 OK 24 70 75 45 4.6-7.1 3862/4.6=14...(10) HA ARG 135 - HB3 PRO 81 poor 9 72 30 40 4.6-10.8 ~4336=9, ~7977=8...(10) HD3 PRO 81 - HB3 LYS 86 far 4 85 5 - 5.7-9.1 HB3 SER 124 - HB2 LYS 95 far 0 38 0 - 6.5-9.1 HB3 SER 124 - HB3 LYS 95 far 0 41 0 - 6.8-9.5 HA LEU 119 - HB3 LYS 95 far 0 64 0 - 7.5-13.2 HA LEU 119 - HB2 PRO 58 far 0 73 0 - 8.9-15.3 HB2 SER 74 - HB2 LYS 95 far 0 57 0 - 9.1-12.2 HA LEU 119 - HB2 LYS 95 far 0 60 0 - 9.1-13.5 HB THR 65 - HB2 PRO 58 far 0 53 0 - 9.2-11.1 HB3 SER 74 - HB2 LYS 95 far 0 51 0 - 9.7-12.2 HB2 SER 74 - HB3 LYS 95 far 0 61 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 11278 from aliabs.peaks (4.14, 1.94, 32.41 ppm; 4.45 A): 2 out of 5 assignments used, quality = 0.93: HA ILE 80 + HB3 PRO 81 OK 81 81 100 100 4.9-5.7 11265/1.8=73...(23) HB THR 83 + HB3 LYS 86 OK 65 81 80 100 4.9-6.2 ~11312=62, 3.0/2512=52...(17) HA ILE 80 - HB3 LYS 86 poor 14 68 20 - 5.1-8.2 HA3 GLY 114 - HB2 PRO 58 far 6 65 10 - 4.7-14.0 HB THR 83 - HB3 PRO 81 far 0 94 0 - 8.1-10.1 Violated in 19 structures by 0.50 A. Peak 11279 from aliabs.peaks (4.34, 1.94, 32.41 ppm; 3.28 A): 2 out of 11 assignments used, quality = 0.96: HA PRO 81 + HB3 PRO 81 OK 88 88 100 100 2.3-2.7 2.3=100 HA ASN 59 + HB2 PRO 58 OK 69 81 95 90 4.5-5.7 2.9/6710=38, ~6709=23...(14) HA PRO 113 - HB2 PRO 58 poor 16 55 30 - 2.8-13.6 HA CYS 125 - HB2 LYS 95 poor 15 59 25 - 4.4-6.0 HA CYS 125 - HB3 LYS 95 far 0 63 0 - 5.1-6.7 HA PRO 81 - HB3 LYS 86 far 0 75 0 - 5.8-9.6 HA GLN 134 - HB3 PRO 81 far 0 90 0 - 5.8-10.9 HA LYS 24 - HB3 LYS 95 far 0 67 0 - 7.7-32.1 HA LYS 24 - HB2 LYS 95 far 0 63 0 - 8.3-31.9 HA PRO 117 - HB3 LYS 95 far 0 49 0 - 8.8-14.7 HA LYS 24 - HB2 PRO 58 far 0 76 0 - 9.3-30.0 Violated in 0 structures by 0.00 A. Peak 11280 from aliabs.peaks (0.82, 4.33, 40.66 ppm; 5.21 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 80 + HA PRO 81 OK 100 100 100 100 3.7-5.7 ~11265=50, 11909=47...(31) HG13 ILE 80 + HA PRO 81 OK 100 100 100 100 4.5-5.7 11909=51, 2.1/9736=43...(28) QG1 VAL 133 - HA PRO 81 far 4 76 5 - 6.7-9.0 QG2 ILE 129 - HA PRO 81 far 0 99 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 11281 from aliabs.peaks (0.82, 2.25, 32.41 ppm; 5.07 A): 2 out of 4 assignments used, quality = 0.75: QG2 ILE 80 + HB2 PRO 81 OK 52 52 100 100 4.0-6.1 3.2/11265=74...(40) HG13 ILE 80 + HB2 PRO 81 OK 49 51 95 100 5.3-7.1 4.1/11265=63, ~11226=44...(35) QG1 VAL 133 - HB2 PRO 81 poor 13 33 40 - 5.7-8.6 QG2 ILE 129 - HB2 PRO 81 far 0 49 0 - 7.7-10.5 Violated in 6 structures by 0.06 A. Peak 11282 from aliabs.peaks (0.82, 2.05, 27.30 ppm; 4.79 A): 4 out of 23 assignments used, quality = 1.00: QG2 ILE 80 + HG3 PRO 81 OK 100 100 100 100 3.1-5.0 3.1/11226=51, ~2478=48...(46) HG13 ILE 80 + HG3 PRO 81 OK 90 100 90 100 3.9-6.9 2.1/11226=61, ~11178=44...(36) QG1 VAL 133 + HG3 PRO 81 OK 67 76 90 98 3.9-7.4 ~11757=55, 2.1/10575=33...(28) QG1 VAL 133 + HG3 ARG 135 OK 40 45 95 92 4.7-7.2 ~10571=35, 2.1/10575=25...(20) QG2 ILE 129 - HG3 PRO 81 far 15 99 15 - 5.9-9.2 QG2 ILE 80 - HG3 ARG 135 far 7 69 10 - 5.8-8.4 QD2 LEU 119 - HG2 PRO 117 far 7 65 10 - 5.0-9.2 QD2 LEU 119 - HG3 PRO 117 far 7 65 10 - 5.5-9.1 QD2 LEU 119 - HG3 PRO 113 far 5 48 10 - 4.3-12.2 HG13 ILE 80 - HG3 ARG 135 far 0 69 0 - 6.3-11.6 QD2 LEU 122 - HG2 PRO 117 far 0 57 0 - 6.5-10.9 QD1 LEU 122 - HG2 PRO 117 far 0 97 0 - 6.8-10.8 QD2 LEU 122 - HG3 PRO 117 far 0 57 0 - 6.8-11.9 QG2 ILE 129 - HG3 ARG 135 far 0 66 0 - 6.9-9.6 QD1 LEU 122 - HG3 PRO 117 far 0 97 0 - 7.0-10.7 QD1 LEU 122 - HG3 PRO 113 far 0 79 0 - 7.2-15.3 QD1 LEU 53 - HG2 PRO 117 far 0 75 0 - 7.6-13.8 QD2 LEU 22 - HG2 PRO 117 far 0 70 0 - 8.3-34.7 QD1 LEU 53 - HG3 PRO 113 far 0 57 0 - 8.5-17.7 QD2 LEU 22 - HG3 PRO 117 far 0 70 0 - 8.8-35.9 QD1 LEU 53 - HG3 PRO 117 far 0 75 0 - 8.9-14.8 QD2 LEU 122 - HG3 PRO 113 far 0 42 0 - 9.3-15.9 QD1 LEU 70 - HG2 PRO 117 far 0 100 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 11283 from aliabs.peaks (3.79, 1.90, 29.11 ppm; 6.43 A): 0 out of 1 assignment used, quality = 0.00: HA VAL 133 - HB3 ARG 84 far 3 65 5 - 7.6-11.7 Violated in 20 structures by 3.44 A. Peak 11284 from aliabs.peaks (2.44, 3.74, 66.49 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 82 + HA THR 83 OK 98 100 100 98 3.9-6.8 4.1/11298=67...(11) HG2 GLN 82 + HA THR 83 OK 97 99 100 98 5.6-7.3 4.1/11298=67...(12) Violated in 0 structures by 0.00 A. Peak 11285 from aliabs.peaks (2.15, 3.74, 66.49 ppm; 6.73 A): 1 out of 1 assignment used, quality = 0.25: HB2 PRO 81 + HA THR 83 OK 25 100 40 61 7.1-8.8 5.0/11298=59, 3130/3127=3 Violated in 20 structures by 1.54 A. Peak 11287 from aliabs.peaks (4.59, 2.44, 33.48 ppm; 3.16 A): 2 out of 5 assignments used, quality = 0.97: * HA GLN 82 + HG3 GLN 82 OK 82 100 100 82 2.0-3.8 4.1=46, 11299/1.8=32...(10) HA GLN 82 + HG2 GLN 82 OK 82 99 100 82 2.6-4.1 4.1=46, 11299/1.8=32...(10) HA VAL 57 - HG2 GLU 55 far 0 59 0 - 5.0-8.7 HA HIS 3 - HG2 GLN 82 far 0 69 0 - 6.0-78.9 HA HIS 3 - HG3 GLN 82 far 0 71 0 - 6.6-77.6 Violated in 1 structures by 0.01 A. Peak 11288 from aliabs.peaks (4.59, 2.09, 28.29 ppm; 3.98 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 82 + HB3 GLN 82 OK 100 100 100 100 2.2-3.0 3.0=100 HA VAL 57 - HB3 GLN 61 far 10 67 15 - 4.6-7.4 HA VAL 57 - HB2 GLN 61 far 4 74 5 - 5.4-7.9 HA HIS 3 - HB3 GLN 82 far 0 71 0 - 7.4-77.5 HA HIS 3 - HB2 GLU 128 far 0 41 0 - 9.4-73.8 Violated in 0 structures by 0.00 A. Peak 11289 from aliabs.peaks (4.59, 2.21, 28.29 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 3 - HB2 GLN 82 far 0 71 0 - 8.2-76.9 Violated in 0 structures by 0.00 A. Peak 11290 from aliabs.peaks (2.43, 2.21, 28.29 ppm; 3.66 A): 4 out of 6 assignments used, quality = 1.00: HG2 GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLN 82 + HB2 GLN 82 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 GLN 101 + HB3 GLU 97 OK 44 45 100 98 1.9-5.1 2.9/3298=32, 1.8/3316=32...(29) HG3 GLU 97 + HB3 GLU 97 OK 21 21 100 100 2.4-2.9 2.9=100 HG3 GLU 97 - HB2 GLN 68 far 0 46 0 - 9.6-14.7 HG3 GLN 61 - HB2 GLN 68 far 0 59 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 11291 from aliabs.peaks (2.21, 2.21, 28.29 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLN 82 + HB2 GLN 82 OK 99 99 - 100 HB2 GLN 68 + HB2 GLN 68 OK 85 85 - 100 HB3 GLU 97 + HB3 GLU 97 OK 44 44 - 100 Peak 11292 from aliabs.peaks (2.09, 2.21, 28.29 ppm; 3.21 A): 1 out of 12 assignments used, quality = 1.00: HB3 GLN 82 + HB2 GLN 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 81 - HB2 GLN 82 far 5 94 5 - 3.6-6.8 HB3 GLN 27 - HB3 GLU 97 far 1 21 5 - 2.8-27.1 HB2 GLU 102 - HB3 GLU 97 far 0 41 0 - 6.8-9.0 HB3 LYS 39 - HB2 GLN 82 far 0 93 0 - 7.5-16.2 HB VAL 126 - HB3 GLU 97 far 0 36 0 - 7.6-12.4 HB3 GLN 27 - HB2 GLN 68 far 0 46 0 - 7.7-15.5 HB VAL 126 - HB2 GLN 68 far 0 73 0 - 7.7-10.9 HG3 GLN 134 - HB2 GLN 82 far 0 90 0 - 8.4-15.8 HB2 GLN 61 - HB2 GLN 68 far 0 85 0 - 8.8-11.1 HB3 GLU 44 - HB2 GLN 68 far 0 65 0 - 9.0-13.3 HB3 GLN 61 - HB2 GLN 68 far 0 83 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 11293 from aliabs.peaks (2.44, 2.09, 28.29 ppm; 3.41 A): 6 out of 12 assignments used, quality = 1.00: HG3 GLN 82 + HB3 GLN 82 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 GLN 82 + HB3 GLN 82 OK 99 99 100 100 2.2-3.0 2.9=100 HG3 GLU 128 + HB2 GLU 128 OK 57 57 100 100 2.2-3.0 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 35 35 100 100 2.4-3.0 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 31 31 100 100 2.3-3.0 3.0=100 HG2 GLN 101 + HB2 GLU 102 OK 25 59 55 76 3.1-6.2 7450/7455=33...(16) HB3 PRO 58 - HB3 GLN 61 far 2 35 5 - 4.3-8.5 HB3 PRO 58 - HB2 GLN 61 far 0 39 0 - 5.7-8.2 HG2 MET 11 - HB3 GLN 61 far 0 64 0 - 7.6-42.3 HG2 MET 11 - HB2 GLN 61 far 0 70 0 - 8.8-41.5 HG2 GLU 55 - HB2 GLN 61 far 0 66 0 - 8.9-12.6 HG2 GLU 55 - HB3 GLN 61 far 0 60 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 11294 from aliabs.peaks (2.20, 2.09, 28.29 ppm; 3.36 A): 3 out of 18 assignments used, quality = 1.00: HB2 GLN 82 + HB3 GLN 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 102 + HB2 GLU 102 OK 36 36 100 100 1.8-1.8 1.8=100 HB3 GLU 128 + HB2 GLU 128 OK 34 34 100 100 1.8-1.8 1.8=100 HB3 GLN 127 - HB2 GLU 128 far 5 50 10 - 4.2-7.4 HB2 PRO 81 - HB3 GLN 82 far 4 88 5 - 3.5-6.9 HB2 GLN 101 - HB2 GLU 102 far 0 63 0 - 5.1-7.0 HG2 GLU 91 - HB2 GLU 128 far 0 65 0 - 6.3-11.3 HB3 GLN 104 - HB2 GLU 102 far 0 45 0 - 6.4-9.5 HB2 GLN 104 - HB2 GLU 102 far 0 55 0 - 6.4-8.8 HB3 GLU 97 - HB2 GLU 102 far 0 51 0 - 6.8-9.0 HB VAL 133 - HB3 GLN 82 far 0 95 0 - 7.6-12.3 HG2 GLN 68 - HB3 GLU 44 far 0 61 0 - 8.1-14.1 HB3 GLN 68 - HB3 GLU 44 far 0 47 0 - 8.2-13.2 HB2 GLN 68 - HB2 GLN 61 far 0 61 0 - 8.8-11.1 HB2 GLN 68 - HB3 GLU 44 far 0 57 0 - 9.0-13.3 HB VAL 133 - HB2 GLU 128 far 0 60 0 - 9.1-11.9 HG2 GLN 68 - HB2 GLN 61 far 0 65 0 - 9.3-11.9 HB2 GLN 68 - HB3 GLN 61 far 0 55 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 11295 from aliabs.peaks (2.09, 2.09, 28.29 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 GLN 82 + HB3 GLN 82 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 72 72 - 100 HB3 GLN 61 + HB3 GLN 61 OK 64 64 - 100 HB2 GLU 128 + HB2 GLU 128 OK 61 61 - 100 HB2 GLU 102 + HB2 GLU 102 OK 58 58 - 100 HB3 GLU 44 + HB3 GLU 44 OK 50 50 - 100 Peak 11297 from aliabs.peaks (4.59, 4.59, 55.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 82 + HA GLN 82 OK 100 100 - 100 Peak 11298 from aliabs.peaks (3.73, 4.59, 55.29 ppm; 6.31 A): 1 out of 1 assignment used, quality = 0.95: HA THR 83 + HA GLN 82 OK 95 95 100 100 4.3-4.4 3.0/9765=95, 3.6/9779=80...(13) Violated in 0 structures by 0.00 A. Peak 11299 from aliabs.peaks (2.44, 4.59, 55.29 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.99: HG3 GLN 82 + HA GLN 82 OK 88 100 100 88 2.0-3.8 4.1=55, 1.8/11287=38...(10) HG2 GLN 82 + HA GLN 82 OK 87 99 100 88 2.6-4.1 4.1=55, 1.8/11287=38...(10) Violated in 0 structures by 0.00 A. Peak 11300 from aliabs.peaks (2.20, 4.59, 55.29 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: HB2 GLN 82 + HA GLN 82 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PRO 81 - HA GLN 82 far 9 88 10 - 3.9-5.8 HB VAL 133 - HA GLN 82 far 0 95 0 - 8.1-11.8 Violated in 0 structures by 0.00 A. Peak 11301 from aliabs.peaks (2.07, 4.59, 55.29 ppm; 3.71 A): 1 out of 4 assignments used, quality = 0.92: HB3 GLN 82 + HA GLN 82 OK 92 92 100 100 2.2-3.0 3.0=100 HB2 PRO 81 - HA GLN 82 far 9 87 10 - 3.9-5.8 HG3 PRO 81 - HA GLN 82 far 7 71 10 - 4.7-6.7 HB3 LYS 39 - HA GLN 82 far 0 100 0 - 8.6-16.0 Violated in 0 structures by 0.00 A. Peak 11302 from aliabs.peaks (1.80, 4.59, 55.29 ppm; 5.51 A): 2 out of 3 assignments used, quality = 0.99: HB2 LYS 86 + HA GLN 82 OK 98 100 100 98 5.1-6.5 3.0/11305=61...(9) HB2 ARG 84 + HA GLN 82 OK 69 96 75 96 5.2-7.1 3.9/9779=63...(10) HB3 ARG 135 - HA GLN 82 lone 2 81 25 8 5.2-11.7 11407/4.1=4, 11462/3.0=3 Violated in 6 structures by 0.07 A. Peak 11303 from aliabs.peaks (1.94, 4.59, 55.29 ppm; 5.01 A): 1 out of 3 assignments used, quality = 0.99: HB3 PRO 81 + HA GLN 82 OK 99 99 100 100 3.9-5.5 5.0=100 HB3 LYS 86 - HA GLN 82 poor 19 95 20 - 5.1-7.9 HB2 MET 11 - HA GLN 82 far 0 68 0 - 9.9-53.7 Violated in 2 structures by 0.04 A. Peak 11304 from aliabs.peaks (1.66, 4.59, 55.29 ppm; 5.32 A): 4 out of 6 assignments used, quality = 0.85: HD3 LYS 86 + HA GLN 82 OK 55 100 60 92 3.7-8.9 3.0/11305=57, ~11790=41...(6) HD2 LYS 86 + HA GLN 82 OK 37 100 40 92 4.7-8.4 3.0/11305=57, ~11790=41...(6) HG3 ARG 84 + HA GLN 82 OK 33 90 45 81 4.4-8.5 4.6/9779=53...(7) HG2 ARG 84 + HA GLN 82 OK 21 85 30 81 4.3-8.2 4.6/9779=53...(8) HD2 LYS 39 - HA GLN 82 far 0 76 0 - 9.0-16.0 QB ALA 88 - HA GLN 82 far 0 99 0 - 9.0-9.7 Violated in 6 structures by 0.16 A. Peak 11305 from aliabs.peaks (1.43, 4.59, 55.29 ppm; 6.05 A): 1 out of 1 assignment used, quality = 0.37: HG2 LYS 86 + HA GLN 82 OK 37 87 50 86 6.0-8.2 3.0/11302=47...(7) Violated in 18 structures by 1.33 A. Peak 11306 from aliabs.peaks (1.22, 4.59, 55.29 ppm; 5.40 A): 2 out of 2 assignments used, quality = 0.97: QG2 THR 83 + HA GLN 82 OK 97 97 100 100 5.4-5.6 2.1/9765=92, 9775/3.6=81...(11) HG12 ILE 80 + HA GLN 82 OK 22 97 25 92 6.0-8.6 ~11310=52, ~11263=32...(9) Violated in 2 structures by 0.01 A. Peak 11307 from aliabs.peaks (0.83, 2.43, 33.48 ppm; 4.55 A): 5 out of 15 assignments used, quality = 0.97: QG2 ILE 80 + HG2 GLN 82 OK 61 92 70 94 3.4-9.7 11310/2.9=70...(10) QG2 ILE 80 + HG3 GLN 82 OK 59 90 70 94 3.6-9.2 11310/2.9=70...(10) QD1 LEU 98 + HG2 GLN 101 OK 54 58 95 99 4.5-6.2 4.0/3306=34, ~10052=33...(16) QD1 LEU 70 + HG2 GLN 101 OK 51 84 65 93 4.6-8.3 9489=33, 10000/3112=28...(22) QG2 VAL 57 + HG2 GLU 55 OK 20 24 100 83 2.4-6.0 9280/4.9=41...(9) QD2 LEU 70 - HG2 GLN 101 poor 17 63 35 77 4.3-8.9 2.1/9489=34, ~10052=16...(14) HG13 ILE 80 - HG2 GLN 82 far 4 87 5 - 5.4-9.3 HG13 ILE 80 - HG3 GLN 82 far 4 85 5 - 5.8-8.6 QG1 VAL 133 - HG2 GLN 82 far 0 98 0 - 6.2-12.6 QD1 LEU 122 - HG2 GLN 101 far 0 71 0 - 6.8-10.0 QG1 VAL 133 - HG3 GLN 82 far 0 97 0 - 7.1-12.5 QD2 LEU 22 - HG2 GLU 55 far 0 42 0 - 7.8-31.2 QG2 ILE 129 - HG2 GLN 82 far 0 99 0 - 8.2-13.7 QG2 ILE 129 - HG3 GLN 82 far 0 98 0 - 8.4-13.5 QD1 LEU 122 - HG2 GLU 55 far 0 28 0 - 8.7-13.1 Violated in 2 structures by 0.02 A. Peak 11308 from aliabs.peaks (2.21, 2.44, 33.48 ppm; 3.04 A): 5 out of 11 assignments used, quality = 1.00: HB2 GLN 82 + HG3 GLN 82 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 GLN 82 + HG2 GLN 82 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 GLN 101 + HG2 GLN 101 OK 95 95 100 100 2.2-3.0 2.9=100 HB3 GLU 97 + HG2 GLN 101 OK 70 89 85 92 1.9-5.1 3316/1.8=24, 3298/2.9=23...(29) HB3 GLU 102 + HG2 GLN 101 OK 21 74 45 64 2.7-6.2 3.8/7450=24, 3316/1.8=14...(16) HB2 PRO 81 - HG3 GLN 82 poor 11 84 25 51 3.7-6.7 ~11248=14, 4.1/11257=12...(9) HB2 PRO 81 - HG2 GLN 82 poor 10 82 25 51 4.0-7.4 ~11248=14, 4.1/11257=12...(9) HB2 GLN 104 - HG2 GLN 101 far 0 74 0 - 5.9-10.3 HB3 GLN 104 - HG2 GLN 101 far 0 84 0 - 5.9-11.0 HB VAL 133 - HG2 GLN 82 far 0 83 0 - 6.1-13.6 HB VAL 133 - HG3 GLN 82 far 0 85 0 - 6.8-13.5 Violated in 0 structures by 0.00 A. Peak 11309 from aliabs.peaks (2.09, 2.44, 33.48 ppm; 2.99 A): 3 out of 19 assignments used, quality = 1.00: HB3 GLN 82 + HG3 GLN 82 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 GLN 82 + HG2 GLN 82 OK 99 99 100 100 2.2-3.0 2.9=100 HB2 GLU 102 + HG2 GLN 101 OK 26 94 45 62 3.1-6.2 7455/7450=25, 1.8/4101=9...(14) HB2 PRO 81 - HG2 GLN 82 poor 11 90 25 50 4.0-7.4 ~11248=14, 4.1/11257=12...(9) HB2 PRO 81 - HG3 GLN 82 poor 11 92 25 47 3.7-6.7 ~11248=14, 4.1/11257=11...(8) HB3 GLN 27 - HG2 GLN 101 far 3 68 5 - 2.4-27.9 HB VAL 57 - HG2 GLU 55 far 0 58 0 - 5.1-9.3 HB2 LEU 62 - HG2 GLU 55 far 0 28 0 - 7.3-12.1 HG3 PRO 113 - HG2 GLU 55 far 0 28 0 - 7.3-21.5 HB3 LYS 39 - HG2 GLN 82 far 0 97 0 - 7.5-17.1 HB3 GLN 27 - HG2 GLU 55 far 0 38 0 - 7.5-30.5 HB3 LYS 39 - HG3 GLN 82 far 0 99 0 - 7.9-17.1 HG3 GLN 134 - HG2 GLN 82 far 0 96 0 - 7.9-18.0 HG3 PRO 58 - HG2 GLU 55 far 0 38 0 - 8.4-12.7 HB VAL 118 - HG2 GLN 101 far 0 72 0 - 8.8-10.8 HB2 GLN 61 - HG2 GLU 55 far 0 53 0 - 8.9-12.6 HB3 GLN 61 - HG2 GLU 55 far 0 50 0 - 9.3-12.9 HG3 GLN 134 - HG3 GLN 82 far 0 97 0 - 9.6-18.4 HB VAL 126 - HG2 GLN 101 far 0 70 0 - 9.7-14.8 Violated in 0 structures by 0.00 A. Peak 11310 from aliabs.peaks (0.84, 2.09, 28.29 ppm; 3.61 A): 1 out of 24 assignments used, quality = 0.27: QG2 ILE 80 + HB3 GLN 82 OK 27 60 70 65 3.9-8.8 11262/2.9=19...(9) QG2 VAL 57 - HB3 GLN 61 far 9 59 15 - 4.8-6.4 QD1 LEU 98 - HB2 GLU 102 far 8 53 15 - 3.9-8.3 QG2 ILE 32 - HB3 GLU 44 far 7 68 10 - 4.2-13.5 QG2 VAL 57 - HB2 GLN 61 far 7 65 10 - 4.4-6.4 QD2 LEU 22 - HB2 GLN 61 far 4 73 5 - 4.3-24.5 QD2 LEU 22 - HB3 GLN 61 far 3 67 5 - 4.1-25.6 QG2 ILE 129 - HB2 GLU 128 far 0 50 0 - 5.3-6.8 QG2 ILE 32 - HB2 GLN 61 far 0 72 0 - 5.8-16.6 QD2 LEU 69 - HB3 GLU 44 far 0 47 0 - 6.1-10.1 QD2 LEU 69 - HB2 GLU 128 far 0 46 0 - 6.6-10.4 QG1 VAL 133 - HB2 GLU 128 far 0 67 0 - 6.7-8.0 QG2 ILE 32 - HB3 GLN 61 far 0 66 0 - 7.0-17.3 QD2 LEU 70 - HB2 GLU 102 far 0 56 0 - 7.0-11.0 QG1 VAL 133 - HB3 GLN 82 far 0 100 0 - 7.6-10.9 QG1 VAL 133 - HB3 GLU 44 far 0 68 0 - 8.0-11.1 QD2 LEU 70 - HB2 GLU 128 far 0 60 0 - 8.2-12.7 QD2 LEU 69 - HB2 GLN 61 far 0 50 0 - 8.7-12.8 QG2 ILE 80 - HB2 GLU 128 far 0 34 0 - 8.8-12.6 QD2 LEU 22 - HB2 GLU 102 far 0 63 0 - 9.0-34.5 QD2 LEU 69 - HB3 GLN 61 far 0 45 0 - 9.3-14.1 QG2 ILE 129 - HB3 GLN 82 far 0 83 0 - 9.3-12.1 QD1 LEU 98 - HB2 GLU 128 far 0 57 0 - 9.6-13.9 QG2 ILE 129 - HB3 GLU 44 far 0 50 0 - 9.7-11.7 Violated in 20 structures by 1.95 A. Peak 11312 from aliabs.peaks (1.80, 1.23, 22.04 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.99: HB2 LYS 86 + QG2 THR 83 OK 99 99 100 100 2.2-3.5 2624/2517=49...(24) HB2 ARG 84 - QG2 THR 83 poor 20 99 20 - 4.9-6.0 HB3 ARG 135 - QG2 THR 83 far 0 89 0 - 8.0-11.9 HB2 CYS 79 - QG2 THR 83 far 0 60 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 11313 from aliabs.peaks (2.45, 1.23, 22.04 ppm; 4.70 A): 0 out of 2 assignments used, quality = 0.00: HG3 GLN 82 - QG2 THR 83 far 9 95 10 - 4.8-7.5 HG2 GLN 82 - QG2 THR 83 far 4 89 5 - 6.2-7.9 Violated in 19 structures by 1.62 A. Peak 11314 from aliabs.peaks (2.44, 1.81, 29.11 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.94: HG2 GLN 82 + HB2 ARG 84 OK 82 95 90 96 3.8-7.1 11315/1.8=48, ~11315=36...(15) HG3 GLN 82 + HB2 ARG 84 OK 65 98 70 95 3.7-7.5 11315/1.8=45, ~11315=38...(15) Violated in 9 structures by 0.27 A. Peak 11315 from aliabs.peaks (2.45, 1.90, 29.11 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.67: HG2 GLN 82 + HB3 ARG 84 OK 43 90 55 87 2.2-7.5 11314/1.8=35...(13) HG3 GLN 82 + HB3 ARG 84 OK 41 96 50 86 2.4-7.9 9777/7092=30...(14) Violated in 15 structures by 0.80 A. Peak 11316 from aliabs.peaks (2.43, 1.64, 26.79 ppm; 5.45 A): 4 out of 17 assignments used, quality = 0.97: HG2 GLN 82 + HG3 ARG 84 OK 80 100 85 94 3.7-7.8 11314/3.0=37...(15) HG2 GLN 82 + HG2 ARG 84 OK 61 100 65 94 3.6-8.6 11314/3.0=37...(16) HG3 GLN 82 + HG3 ARG 84 OK 43 100 45 95 3.3-8.5 11315/3.0=35...(15) HG3 GLN 82 + HG2 ARG 84 OK 38 100 40 95 2.1-8.5 11315/3.0=35...(17) HG2 MET 11 - HG LEU 22 far 3 66 5 - 5.6-23.8 HB3 PRO 58 - HG LEU 22 far 2 44 5 - 6.3-35.1 HB3 PRO 58 - HG3 ARG 23 far 2 35 5 - 6.7-33.2 HG3 GLN 61 - HG LEU 119 far 2 35 5 - 6.5-14.5 HB3 PRO 58 - HG LEU 119 far 0 38 0 - 7.7-15.2 HG3 GLN 61 - HG3 ARG 23 far 0 32 0 - 7.8-29.0 HG2 GLN 101 - HG3 ARG 23 far 0 57 0 - 7.8-35.2 HG2 GLU 55 - HG LEU 119 far 0 53 0 - 7.9-16.2 HG2 GLU 55 - HG3 ARG 23 far 0 49 0 - 8.0-33.1 HG3 GLN 61 - HG LEU 22 far 0 40 0 - 8.2-29.5 HG3 GLU 128 - HG2 ARG 84 far 0 96 0 - 8.8-16.2 HG2 MET 11 - HG3 ARG 23 far 0 54 0 - 9.2-20.0 HG3 GLU 128 - HG3 ARG 84 far 0 95 0 - 9.4-15.0 Violated in 9 structures by 0.16 A. Peak 11317 from aliabs.peaks (4.73, 4.25, 58.88 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 11318 from aliabs.peaks (4.18, 4.25, 58.88 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.71: HB THR 83 + HA ARG 84 OK 71 71 100 100 3.8-4.2 2.1/9782=80, 7088/2.8=63...(20) HA ALA 88 - HA ARG 84 far 0 63 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 11319 from aliabs.peaks (4.19, 1.81, 29.11 ppm; 6.04 A): 0 out of 1 assignment used, quality = 0.00: HA ALA 88 - HB2 ARG 84 far 0 87 0 - 7.9-9.7 Violated in 20 structures by 2.81 A. Peak 11320 from aliabs.peaks (1.92, 4.81, 54.84 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.88: HB3 ARG 84 + HA ASN 85 OK 88 90 100 98 4.4-5.6 ~2541=40, 3.0/2595=30...(17) HB2 ARG 90 - HA ASN 85 far 0 99 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 11321 from aliabs.peaks (2.08, 4.81, 54.84 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.98: HB3 GLN 82 + HA ASN 85 OK 93 93 100 100 4.9-8.0 11276/2.9=93...(12) HG3 PRO 81 + HA ASN 85 OK 59 68 95 90 5.3-8.5 9789/3.0=48, ~10238=37...(8) HG3 GLU 91 + HA ASN 85 OK 41 90 60 76 7.7-9.6 11912/11361=59, 9910/2750=41 HB2 GLU 128 - HA ASN 85 poor 15 100 30 49 8.0-11.6 11694/10541=28, 11694/11723=27 HB2 PRO 81 - HA ASN 85 far 13 87 15 - 7.4-9.9 HG3 GLN 134 - HA ASN 85 far 10 100 10 - 8.0-11.8 Violated in 0 structures by 0.00 A. Peak 11322 from aliabs.peaks (1.14, 4.81, 54.84 ppm; 6.33 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 132 + HA ASN 85 OK 100 100 100 100 3.0-5.1 ~10545=80, 2.1/10541=63...(28) QG1 VAL 132 + HA ASN 85 OK 97 97 100 100 1.8-5.5 10545/2.9=95...(26) Violated in 0 structures by 0.00 A. Peak 11323 from aliabs.peaks (1.66, 2.82, 37.45 ppm; 4.91 A): 6 out of 12 assignments used, quality = 1.00: QB ALA 88 + HB3 ASN 85 OK 100 100 100 100 4.4-5.7 2750/3.0=92, 9853/1.8=91...(10) HG3 ARG 84 + HB3 ASN 85 OK 75 85 95 93 3.3-6.8 ~11320=26, 9788/1.8=24...(26) HB2 LEU 123 + HB2 ASN 120 OK 54 68 80 100 5.0-7.5 3813/3.0=76, ~3927=54...(26) HG2 ARG 84 + HB3 ASN 85 OK 51 78 70 93 3.7-6.9 ~11320=26, 9788/1.8=23...(23) HB2 LEU 123 + HB3 ASN 120 OK 45 60 75 100 4.2-6.8 3813/3.0=76, ~3927=54...(25) HD3 LYS 86 + HB3 ASN 85 OK 29 99 40 72 5.0-9.5 11241/11236=41...(10) HD2 LYS 86 - HB3 ASN 85 far 15 100 15 - 5.9-8.8 HG LEU 62 - HB2 ASN 120 far 0 63 0 - 6.8-12.4 HG LEU 62 - HB3 ASN 120 far 0 56 0 - 6.9-12.0 HD2 LYS 39 - HB3 ASN 85 far 0 83 0 - 9.2-14.6 HG LEU 43 - HB3 ASN 85 far 0 90 0 - 9.6-13.3 HD3 LYS 24 - HB3 ASN 120 far 0 63 0 - 10.0-35.5 Violated in 0 structures by 0.00 A. Peak 11324 from aliabs.peaks (7.21, 4.81, 54.84 ppm; 5.51 A): 0 out of 0 assignments used, quality = 0.00: Peak 11325 from aliabs.peaks (0.27, 2.69, 37.45 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.95: QD1 ILE 80 + HB2 ASN 85 OK 95 100 95 100 2.9-7.0 11222/1.8=98...(22) QG2 VAL 93 - HB2 ASN 85 far 0 83 0 - 7.7-10.9 Violated in 6 structures by 0.29 A. Peak 11326 from aliabs.peaks (0.26, 2.82, 37.45 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.97: QD1 ILE 80 + HB3 ASN 85 OK 97 97 100 100 2.3-6.9 3.1/11172=99, ~11237=95...(24) Violated in 1 structures by 0.01 A. Peak 11327 from aliabs.peaks (7.08, 3.89, 60.61 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 89 + HA LYS 86 OK 99 99 100 100 3.7-4.3 9677/11193=85...(18) Violated in 0 structures by 0.00 A. Peak 11328 from aliabs.peaks (0.17, 1.79, 32.49 ppm; 5.70 A): 0 out of 0 assignments used, quality = 0.00: Peak 11329 from aliabs.peaks (0.39, 1.79, 32.49 ppm; 5.64 A): 0 out of 0 assignments used, quality = 0.00: Peak 11330 from aliabs.peaks (0.49, 1.79, 32.49 ppm; 5.55 A): 0 out of 0 assignments used, quality = 0.00: Peak 11331 from aliabs.peaks (1.08, 3.89, 60.61 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.78: QG1 VAL 77 + HA LYS 86 OK 78 78 100 100 4.6-6.3 2.1/11193=97, ~9663=65...(28) Violated in 11 structures by 0.29 A. Peak 11332 from aliabs.peaks (2.94, 3.89, 60.61 ppm; 5.75 A): 1 out of 4 assignments used, quality = 0.96: HE3 LYS 86 + HA LYS 86 OK 96 96 100 100 3.5-5.0 1.8/2693=98, 2704=93...(24) HD2 ARG 135 - HA LYS 86 far 9 89 10 - 7.1-11.8 HE3 LYS 39 - HA LYS 86 far 0 93 0 - 8.7-14.7 HE2 LYS 39 - HA LYS 86 far 0 93 0 - 9.3-15.1 Violated in 0 structures by 0.00 A. Peak 11333 from aliabs.peaks (3.06, 3.89, 60.61 ppm; 5.66 A): 1 out of 1 assignment used, quality = 1.00: HE2 LYS 86 + HA LYS 86 OK 100 100 100 100 3.7-5.5 1.8/2704=100, 2693=100...(21) Violated in 0 structures by 0.00 A. Peak 11334 from aliabs.peaks (0.80, 1.96, 32.49 ppm; 4.26 A): 4 out of 21 assignments used, quality = 0.97: QG2 ILE 80 + HB3 LYS 86 OK 81 85 95 100 1.7-6.0 3.1/9721=45, 9821/1.8=41...(49) QG2 ILE 80 + HB3 PRO 81 OK 60 80 75 100 4.0-6.4 ~11265=37, 9735/2.3=35...(41) HG13 ILE 80 + HB3 PRO 81 OK 43 86 50 100 5.3-7.0 ~11226=32, 3.2/11240=31...(33) HG13 ILE 80 + HB3 LYS 86 OK 41 90 45 100 1.9-6.7 2.1/9721=55, ~9822=44...(50) QD2 LEU 119 - HB2 PRO 58 poor 14 63 45 50 4.5-14.3 10927/2.3=30, ~10926=9...(7) QD2 LEU 122 - HB3 LYS 95 far 5 33 15 - 5.3-9.6 QD1 LEU 96 - HB3 LYS 95 far 1 22 5 - 5.6-7.5 QD1 LEU 122 - HB3 LYS 95 far 0 33 0 - 6.1-9.7 QD1 LEU 70 - HB3 LYS 95 far 0 29 0 - 6.6-9.9 QG2 ILE 129 - HB3 LYS 86 far 0 63 0 - 7.1-8.9 QD1 LEU 103 - HB2 PRO 58 far 0 55 0 - 7.3-9.3 QG1 VAL 63 - HB2 PRO 58 far 0 56 0 - 7.4-9.3 QD1 ILE 32 - HB2 PRO 58 far 0 34 0 - 7.4-19.1 QG2 ILE 129 - HB3 PRO 81 far 0 58 0 - 7.7-10.9 QD2 LEU 119 - HB3 LYS 95 far 0 35 0 - 8.4-14.0 QD1 LEU 53 - HB3 LYS 95 far 0 36 0 - 8.9-12.3 QD1 LEU 53 - HB2 PRO 58 far 0 65 0 - 9.0-13.8 QD2 LEU 122 - HB2 PRO 58 far 0 60 0 - 9.1-13.4 QD1 LEU 122 - HB2 PRO 58 far 0 60 0 - 9.2-13.4 QD1 ILE 37 - HB3 PRO 81 far 0 58 0 - 9.7-17.5 QD2 LEU 49 - HB3 LYS 95 far 0 36 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 11335 from aliabs.peaks (0.83, 1.66, 29.78 ppm; 4.09 A): 4 out of 8 assignments used, quality = 0.99: QG2 ILE 80 + HD2 LYS 86 OK 81 96 85 100 2.3-6.3 11243/3.0=49, 11241=47...(56) QG2 ILE 80 + HD3 LYS 86 OK 71 95 75 100 2.0-6.5 11243/3.0=49, 11241=46...(56) HG13 ILE 80 + HD3 LYS 86 OK 64 91 70 100 3.5-7.1 ~9720=37, ~11225=35...(54) HG13 ILE 80 + HD2 LYS 86 OK 55 92 60 100 2.3-7.2 ~9720=37, ~11225=35...(54) QG1 VAL 133 - HD2 LYS 86 far 0 96 0 - 6.9-10.4 QG1 VAL 133 - HD3 LYS 86 far 0 95 0 - 7.1-10.4 QG2 ILE 129 - HD3 LYS 86 far 0 100 0 - 7.8-9.7 QG2 ILE 129 - HD2 LYS 86 far 0 100 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 11336 from aliabs.peaks (1.05, 1.66, 29.78 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.82: QG1 VAL 77 + HD2 LYS 86 OK 65 100 65 100 3.7-7.2 11180=65, 9650/3.0=62...(40) QG1 VAL 77 + HD3 LYS 86 OK 50 100 50 100 2.5-7.8 9650/3.0=62, 9650/3.0=62...(39) QG2 VAL 133 - HD2 LYS 86 far 0 97 0 - 7.9-11.6 QG2 VAL 133 - HD3 LYS 86 far 0 97 0 - 7.9-11.9 Violated in 14 structures by 0.59 A. Peak 11337 from aliabs.peaks (1.18, 1.66, 29.78 ppm; 3.87 A): 2 out of 2 assignments used, quality = 0.95: QG2 VAL 77 + HD2 LYS 86 OK 77 97 80 100 3.0-6.5 11182/3.0=62...(39) QG2 VAL 77 + HD3 LYS 86 OK 77 96 80 100 2.1-6.5 11182/3.0=62...(41) Violated in 9 structures by 0.34 A. Peak 11339 from aliabs.peaks (1.18, 1.48, 25.19 ppm; 4.18 A): 2 out of 5 assignments used, quality = 0.95: QG2 VAL 77 + HG3 LYS 86 OK 94 99 95 100 1.8-6.0 11742/1.8=89...(33) QB ALA 41 + HG3 LYS 36 OK 22 50 75 57 3.6-8.5 10904/6407=33...(5) HG12 ILE 32 - HG3 LYS 36 poor 12 30 40 - 4.0-10.4 QG2 THR 25 - HG3 LYS 36 far 3 50 5 - 5.4-21.3 QG2 THR 18 - HG3 LYS 36 far 0 44 0 - 6.8-30.5 Violated in 5 structures by 0.17 A. Peak 11340 from aliabs.peaks (1.18, 1.41, 25.19 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 77 + HG2 LYS 86 OK 99 99 100 100 2.1-4.6 11742=98, 11182/1.8=90...(34) QG2 THR 18 - HG2 LYS 86 far 0 95 0 - 9.9-36.7 Violated in 1 structures by 0.02 A. Peak 11341 from aliabs.peaks (3.74, 1.41, 25.19 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: HA THR 83 + HG2 LYS 86 OK 100 100 100 100 3.5-4.8 11342/1.8=83...(23) HA VAL 133 - HG2 LYS 86 far 3 63 5 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 11342 from aliabs.peaks (3.74, 1.48, 25.19 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: HA THR 83 + HG3 LYS 86 OK 100 100 100 100 2.2-4.8 11341/1.8=77...(23) HA VAL 133 - HG3 LYS 86 far 6 63 10 - 6.0-9.6 Violated in 0 structures by 0.00 A. Peak 11343 from aliabs.peaks (3.75, 1.66, 29.78 ppm; 4.04 A): 2 out of 4 assignments used, quality = 1.00: HA THR 83 + HD2 LYS 86 OK 98 99 100 99 2.0-5.2 2624/3.5=48...(19) HA THR 83 + HD3 LYS 86 OK 97 98 100 99 1.8-5.4 2624/3.5=48...(19) HA VAL 133 - HD3 LYS 86 far 0 84 0 - 7.4-10.8 HA VAL 133 - HD2 LYS 86 far 0 85 0 - 7.8-11.0 Violated in 2 structures by 0.01 A. Peak 11345 from aliabs.peaks (4.08, 7.32, 131.40 ppm; 5.88 A): 0 out of 2 assignments used, quality = 0.00: HA PHE 89 - QD PHE 87 far 10 100 10 - 7.3-8.1 HA ALA 92 - QD PHE 87 far 0 65 0 - 8.3-10.6 Violated in 20 structures by 1.42 A. Peak 11347 from aliabs.peaks (1.76, 4.27, 61.07 ppm; 4.81 A): 2 out of 11 assignments used, quality = 0.85: HG3 ARG 90 + HA PHE 87 OK 62 63 100 100 2.4-5.7 2.9/2723=73, 4.6/7206=52...(22) HB2 LYS 86 + HA PHE 87 OK 60 60 100 100 4.0-5.5 ~7157=59, ~2647=52...(19) HB2 LYS 26 - HA THR 25 poor 18 20 90 - 4.4-6.5 HB2 ARG 23 - HA THR 25 poor 5 25 20 - 5.9-8.3 HG3 ARG 90 - HA SER 74 poor 4 22 20 - 5.8-8.9 HG13 ILE 129 - HA SER 74 far 3 30 10 - 5.7-9.0 HB2 LEU 48 - HA THR 25 far 1 24 5 - 3.8-26.9 HB3 LEU 98 - HA THR 25 far 0 22 0 - 7.3-29.3 HB ILE 80 - HA PHE 87 far 0 57 0 - 7.4-9.0 HG13 ILE 129 - HA PHE 87 far 0 81 0 - 8.5-10.3 HB2 LYS 31 - HA SER 74 far 0 29 0 - 9.9-24.6 Violated in 1 structures by 0.00 A. Peak 11348 from aliabs.peaks (1.80, 3.23, 38.11 ppm; 4.68 A): 4 out of 6 assignments used, quality = 1.00: HB2 LYS 86 + HB3 PHE 87 OK 96 97 100 99 4.1-5.9 7156/4.0=65...(17) HB2 LYS 86 + HB2 PHE 87 OK 79 100 80 99 5.0-6.8 7156/4.0=65...(17) HB2 ARG 84 + HB3 PHE 87 OK 56 89 65 97 5.3-6.8 3.0/2532=33, ~2532=23...(25) HB2 ARG 84 + HB2 PHE 87 OK 32 95 35 97 5.3-7.9 3.0/2531=33, ~2532=24...(26) HB3 ARG 135 - HB2 PHE 87 far 0 78 0 - 9.4-13.6 HB3 ARG 135 - HB3 PHE 87 far 0 72 0 - 9.6-13.0 Violated in 2 structures by 0.02 A. Peak 11349 from aliabs.peaks (1.78, 7.32, 131.40 ppm; 5.81 A): 2 out of 2 assignments used, quality = 0.98: HB2 LYS 86 + QD PHE 87 OK 96 97 100 100 2.9-6.9 7156/4.2=82...(12) HB2 ARG 84 + QD PHE 87 OK 47 68 70 99 5.2-7.8 3.0/5522=38, ~2532=31...(24) Violated in 5 structures by 0.04 A. Peak 11350 from aliabs.peaks (0.98, 7.32, 131.40 ppm; 5.93 A): 0 out of 0 assignments used, quality = 0.00: Peak 11351 from aliabs.peaks (2.07, 7.32, 131.40 ppm; 5.34 A): 1 out of 4 assignments used, quality = 0.64: HG3 GLU 91 + QD PHE 87 OK 64 81 80 100 2.9-8.0 1.8/9918=91, 9917=71...(11) HB3 GLN 82 - QD PHE 87 far 0 85 0 - 7.6-10.7 HG3 PRO 81 - QD PHE 87 far 0 81 0 - 9.1-12.8 HB2 GLU 128 - QD PHE 87 far 0 97 0 - 9.2-14.0 Violated in 13 structures by 0.66 A. Peak 11352 from aliabs.peaks (2.21, 7.32, 131.40 ppm; 4.98 A): 1 out of 3 assignments used, quality = 0.30: HG2 GLU 91 + QD PHE 87 OK 30 100 30 100 3.9-8.7 9918=100, 1.8/9917=73...(11) HB2 GLN 82 - QD PHE 87 far 0 100 0 - 7.5-11.1 HB3 GLU 128 - QD PHE 87 far 0 85 0 - 9.8-13.5 Violated in 17 structures by 1.66 A. Peak 11353 from aliabs.peaks (2.00, 3.23, 38.11 ppm; 4.88 A): 4 out of 6 assignments used, quality = 0.99: HB2 GLU 91 + HB2 PHE 87 OK 88 99 90 99 4.8-6.5 ~9918=42, ~9918=41...(15) HG2 ARG 90 + HB2 PHE 87 OK 73 83 90 98 4.6-6.4 ~2723=40, ~2723=32...(23) HG2 ARG 90 + HB3 PHE 87 OK 57 77 75 98 4.9-7.1 ~2723=40, ~2723=32...(25) HB2 GLU 91 + HB3 PHE 87 OK 33 94 35 99 5.5-7.6 ~9918=42, ~9918=41...(15) HG2 PRO 81 - HB3 PHE 87 far 0 96 0 - 8.4-11.5 HG2 PRO 81 - HB2 PHE 87 far 0 100 0 - 8.7-12.2 Violated in 3 structures by 0.01 A. Peak 11354 from aliabs.peaks (2.21, 3.23, 38.11 ppm; 5.21 A): 0 out of 4 assignments used, quality = 0.00: HG2 GLU 91 - HB2 PHE 87 poor 20 100 20 - 5.4-9.2 HG2 GLU 91 - HB3 PHE 87 far 15 97 15 - 6.1-9.5 HB2 GLN 82 - HB3 PHE 87 far 0 97 0 - 8.0-10.4 HB2 GLN 82 - HB2 PHE 87 far 0 100 0 - 8.5-11.0 Violated in 18 structures by 1.41 A. Peak 11355 from aliabs.peaks (0.87, 3.23, 38.11 ppm; 6.42 A): 0 out of 0 assignments used, quality = 0.00: Peak 11356 from aliabs.peaks (3.76, 7.32, 131.40 ppm; 6.32 A): 1 out of 1 assignment used, quality = 0.83: HA THR 83 + QD PHE 87 OK 83 83 100 100 3.9-7.6 3.2/9776=99...(15) Violated in 14 structures by 0.51 A. Peak 11357 from aliabs.peaks (3.75, 3.23, 38.11 ppm; 5.17 A): 2 out of 4 assignments used, quality = 0.88: HA THR 83 + HB3 PHE 87 OK 83 88 95 100 5.2-7.0 ~9776=57, ~9776=57...(19) HA THR 83 + HB2 PHE 87 OK 28 93 30 100 5.8-7.9 ~9776=57, ~9776=57...(18) HA VAL 133 - HB3 PHE 87 far 0 89 0 - 9.4-12.1 HA VAL 133 - HB2 PHE 87 far 0 95 0 - 9.6-12.6 Violated in 17 structures by 0.40 A. Peak 11358 from aliabs.peaks (3.78, 4.27, 61.07 ppm; 4.98 A): 2 out of 6 assignments used, quality = 0.87: HA ARG 90 + HA PHE 87 OK 83 83 100 100 5.9-6.4 2.9/7206=76, 3.0/2723=76...(16) HA ARG 90 + HA SER 74 OK 23 31 100 74 4.3-5.7 11192/11195=28...(10) HB3 SER 9 - HA SER 74 far 0 30 0 - 6.8-46.8 HA GLU 97 - HA SER 74 far 0 34 0 - 7.2-9.9 HA LEU 43 - HA THR 25 far 0 29 0 - 9.4-26.5 HA VAL 133 - HA PHE 87 far 0 97 0 - 9.7-11.8 Violated in 4 structures by 0.04 A. Peak 11359 from aliabs.peaks (7.06, 1.66, 18.14 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 89 + QB ALA 88 OK 99 99 100 100 5.1-5.6 3.1/11362=100...(17) Violated in 0 structures by 0.00 A. Peak 11360 from aliabs.peaks (8.51, 1.66, 18.14 ppm; 5.15 A): 0 out of 0 assignments used, quality = 0.00: Peak 11361 from aliabs.peaks (4.80, 4.20, 54.66 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.95: HA ASN 85 + HA ALA 88 OK 95 95 100 100 5.5-6.1 2750/2.1=95, 7174/2.9=95...(19) Violated in 0 structures by 0.00 A. Peak 11362 from aliabs.peaks (4.07, 1.66, 18.14 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.88: HA PHE 89 + QB ALA 88 OK 88 89 100 99 3.8-3.9 2.9/7195=75, 11370=57...(18) HA ALA 92 - QB ALA 88 far 0 93 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 11363 from aliabs.peaks (3.22, 1.66, 18.14 ppm; 4.31 A): 3 out of 6 assignments used, quality = 1.00: HB2 PHE 87 + QB ALA 88 OK 96 97 100 100 3.6-5.2 4.5/7185=59, 9834=44...(23) HB3 PHE 87 + QB ALA 88 OK 87 87 100 100 3.5-5.3 4.5/7185=59, 9834=41...(22) HD3 ARG 135 + QB ALA 88 OK 20 87 35 67 4.5-7.5 10635/9857=29...(6) HD3 ARG 84 - QB ALA 88 lone 8 63 70 17 3.7-8.5 5.0/2525=5, 7108/9847=3...(7) HD2 ARG 84 - QB ALA 88 lone 7 63 65 16 3.1-8.5 5.0/2525=5, 7108/9847=3...(6) HB3 CYS 125 - QB ALA 88 far 0 90 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 11364 from aliabs.peaks (4.08, 7.41, 131.12 ppm; 5.99 A): 2 out of 3 assignments used, quality = 1.00: HA PHE 89 + QE PHE 89 OK 100 100 100 100 4.5-4.9 4.7=100 HB3 SER 74 + QE PHE 89 OK 43 68 100 63 5.5-6.8 11421/11429=22...(6) HA CYS 79 - QE PHE 89 far 0 83 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 11365 from aliabs.peaks (3.42, 7.41, 131.12 ppm; 5.89 A): 4 out of 4 assignments used, quality = 0.99: HA VAL 126 + QE PHE 89 OK 90 98 100 92 6.0-7.2 11639/10456=82...(7) HA VAL 77 + QE PHE 89 OK 73 73 100 100 2.8-4.3 3.0/9671=96, 3.2/9676=93...(28) HA ILE 129 + QE PHE 89 OK 63 63 100 100 4.4-5.3 3.2/10457=78...(25) HA LYS 39 + QE PHE 89 OK 38 63 90 66 4.6-7.4 10578/11756=34...(4) Violated in 0 structures by 0.00 A. Peak 11366 from aliabs.peaks (3.31, 7.41, 131.12 ppm; 5.21 A): 4 out of 4 assignments used, quality = 1.00: HB2 PHE 89 + QE PHE 89 OK 100 100 100 100 4.4-4.5 4.5=100 HB3 CYS 73 + QE PHE 89 OK 100 100 100 100 2.0-4.5 3.0/11145=82, ~9538=58...(18) HB3 PHE 89 + QE PHE 89 OK 73 73 100 100 4.4-4.5 4.5=100 HB3 TYR 72 + QE PHE 89 OK 32 68 85 56 5.7-7.7 9095/11891=24...(5) Violated in 0 structures by 0.00 A. Peak 11367 from aliabs.peaks (2.31, 7.41, 131.12 ppm; 6.04 A): 1 out of 4 assignments used, quality = 0.68: HB VAL 132 + QE PHE 89 OK 68 68 100 100 4.4-7.1 11669/10552=83...(19) HB3 GLN 134 - QE PHE 89 poor 16 78 20 - 7.1-9.1 HG3 GLU 30 - QE PHE 89 far 0 100 0 - 8.3-22.2 HG2 GLU 40 - QE PHE 89 far 0 89 0 - 9.8-12.8 Violated in 7 structures by 0.24 A. Peak 11368 from aliabs.peaks (3.45, 7.07, 131.13 ppm; 5.50 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 77 + QD PHE 89 OK 100 100 100 100 3.1-4.0 9667=100, 2401/9677=96...(31) HA ILE 129 + QD PHE 89 OK 99 99 100 100 3.2-4.5 10459=99, 10458/2.2=75...(26) HA VAL 126 - QD PHE 89 poor 20 95 25 84 6.6-7.9 10402/11707=60...(7) HA LEU 42 - QD PHE 89 far 0 81 0 - 8.0-10.4 Violated in 0 structures by 0.00 A. Peak 11369 from aliabs.peaks (3.45, 4.08, 62.01 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 129 + HA PHE 89 OK 99 99 100 100 2.6-4.1 10478/2897=78...(23) HA VAL 77 + HA PHE 89 OK 90 100 90 100 5.7-6.9 9667/3.1=77, 9666/4.7=57...(25) HA VAL 126 - HA PHE 89 far 14 95 15 - 6.6-8.1 Violated in 0 structures by 0.00 A. Peak 11370 from aliabs.peaks (1.67, 4.08, 62.01 ppm; 4.77 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 88 + HA PHE 89 OK 99 99 100 100 3.8-3.9 7195/2.9=86, 11362=81...(18) HD2 LYS 95 - HA PHE 89 far 0 89 0 - 7.3-12.1 HD3 LYS 95 - HA PHE 89 far 0 96 0 - 7.6-11.0 HD3 LYS 86 - HA PHE 89 far 0 87 0 - 7.8-9.7 HD2 LYS 86 - HA PHE 89 far 0 92 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 11371 from aliabs.peaks (0.82, 3.34, 39.57 ppm; 6.00 A): 4 out of 5 assignments used, quality = 1.00: QG2 ILE 129 + HB3 PHE 89 OK 100 100 100 100 3.0-4.9 9862/4.7=78...(28) QG2 ILE 80 + HB3 PHE 89 OK 99 99 100 100 2.9-5.0 ~9747=68, ~9747=66...(25) HG13 ILE 80 + HB3 PHE 89 OK 98 98 100 100 3.5-5.9 ~9747=82, ~9747=80...(26) QG1 VAL 133 + HB3 PHE 89 OK 87 87 100 100 3.6-6.1 ~10554=79, ~10554=77...(14) QD1 LEU 70 - HB3 PHE 89 far 0 98 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 11372 from aliabs.peaks (0.83, 3.32, 39.57 ppm; 5.79 A): 4 out of 5 assignments used, quality = 1.00: QG2 ILE 129 + HB2 PHE 89 OK 100 100 100 100 3.5-4.8 9862/4.7=67...(31) QG2 ILE 80 + HB2 PHE 89 OK 96 96 100 100 2.6-4.9 ~9747=64, ~9747=62...(31) QG1 VAL 133 + HB2 PHE 89 OK 96 96 100 100 3.4-6.4 10557/2.7=85, ~10554=75...(17) HG13 ILE 80 + HB2 PHE 89 OK 92 92 100 100 3.8-6.2 ~9747=78, ~9747=76...(30) QD1 LEU 70 - HB2 PHE 89 far 0 92 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 11373 from aliabs.peaks (1.43, 3.32, 39.57 ppm; 6.31 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 92 + HB2 PHE 89 OK 100 100 100 100 5.0-5.7 2897/3.0=100...(15) HG2 LYS 86 + HB2 PHE 89 OK 93 93 100 99 3.6-6.3 3.7/2765=82...(11) QB ALA 34 - HB2 PHE 89 far 0 95 0 - 8.8-17.0 Violated in 0 structures by 0.00 A. Peak 11374 from aliabs.peaks (1.66, 3.32, 39.57 ppm; 6.11 A): 3 out of 8 assignments used, quality = 1.00: QB ALA 88 + HB2 PHE 89 OK 100 100 100 100 4.3-5.2 4.7=100 HD2 LYS 86 + HB2 PHE 89 OK 89 100 95 93 5.1-7.9 5.5/2765=60...(9) HD3 LYS 86 + HB2 PHE 89 OK 83 99 90 93 4.9-7.9 5.5/2765=60...(9) HG3 ARG 84 - HB2 PHE 89 far 4 85 5 - 7.3-10.5 HG2 ARG 84 - HB2 PHE 89 far 4 78 5 - 7.6-10.5 HD2 LYS 95 - HB2 PHE 89 far 0 100 0 - 9.5-14.2 HD3 LYS 95 - HB2 PHE 89 far 0 100 0 - 9.7-13.2 HG LEU 43 - HB2 PHE 89 far 0 90 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 11375 from aliabs.peaks (2.30, 3.32, 39.57 ppm; 6.55 A): 1 out of 2 assignments used, quality = 0.76: HB VAL 132 + HB2 PHE 89 OK 76 76 100 100 2.0-6.8 11377/3.0=94...(25) HB3 GLN 134 - HB2 PHE 89 far 0 71 0 - 9.7-13.0 Violated in 1 structures by 0.01 A. Peak 11376 from aliabs.peaks (1.81, 3.32, 39.57 ppm; 6.24 A): 2 out of 5 assignments used, quality = 0.98: HB2 LYS 86 + HB2 PHE 89 OK 90 90 100 100 4.7-6.1 3.0/2765=88, ~11327=59...(19) HB VAL 93 + HB2 PHE 89 OK 82 87 95 100 5.0-7.8 ~9924=81, ~9924=73...(14) HB3 ARG 135 - HB2 PHE 89 poor 20 99 20 - 6.2-12.3 HB2 ARG 84 - HB2 PHE 89 far 0 100 0 - 8.0-10.3 HB2 CYS 79 - HB2 PHE 89 far 0 83 0 - 8.2-11.1 Violated in 0 structures by 0.00 A. Peak 11377 from aliabs.peaks (2.30, 4.08, 62.01 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.76: HB VAL 132 + HA PHE 89 OK 76 76 100 100 3.3-5.9 2.1/10539=62...(23) Violated in 3 structures by 0.04 A. Peak 11378 from aliabs.peaks (1.16, 7.41, 131.12 ppm; 4.68 A): 2 out of 7 assignments used, quality = 0.94: QG2 VAL 132 + QE PHE 89 OK 81 81 100 100 3.1-5.4 ~11943=53, 2.1/11367=46...(28) QG2 VAL 77 + QE PHE 89 OK 71 71 100 100 2.2-3.7 2.1/9671=87, 2.1/9673=77...(27) HG2 LYS 39 - QE PHE 89 far 3 68 5 - 5.4-9.3 HG3 LYS 39 - QE PHE 89 far 0 100 0 - 6.7-9.4 QB ALA 41 - QE PHE 89 far 0 92 0 - 7.2-10.2 QG2 THR 18 - QE PHE 89 far 0 100 0 - 8.1-28.6 HG12 ILE 32 - QE PHE 89 far 0 99 0 - 9.1-17.6 Violated in 0 structures by 0.00 A. Peak 11379 from aliabs.peaks (1.05, 7.41, 131.12 ppm; 5.04 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 77 + QE PHE 89 OK 100 100 100 100 3.6-4.9 2.1/9676=94, 2.1/9671=93...(25) QG2 VAL 133 + QE PHE 89 OK 97 97 100 100 3.1-4.1 10552=96, 10554/2.2=89...(25) Violated in 0 structures by 0.00 A. Peak 11380 from aliabs.peaks (0.83, 7.41, 131.12 ppm; 4.78 A): 4 out of 8 assignments used, quality = 1.00: QG2 ILE 129 + QE PHE 89 OK 99 99 100 100 2.0-2.6 10457=80, 10486/11891=71...(34) QG1 VAL 133 + QE PHE 89 OK 99 99 100 100 1.7-2.7 11756=98, 2.1/10552=95...(27) QG2 ILE 80 + QE PHE 89 OK 86 90 95 100 2.2-6.4 3.1/9749=66, ~9747=50...(26) HG13 ILE 80 + QE PHE 89 OK 72 85 85 100 3.7-7.2 2.1/9749=78, ~9747=64...(28) QD2 LEU 70 - QE PHE 89 far 10 68 15 - 5.5-8.6 QD1 LEU 70 - QE PHE 89 far 8 85 10 - 6.3-8.7 QG2 ILE 32 - QE PHE 89 far 0 99 0 - 8.3-13.9 QD1 LEU 122 - QE PHE 89 far 0 71 0 - 8.4-11.5 Violated in 0 structures by 0.00 A. Peak 11381 from aliabs.peaks (0.62, 7.41, 131.12 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 42 + QE PHE 89 OK 98 98 100 100 2.0-4.9 11890=97, 2.1/11891=96...(20) QD1 ILE 129 + QE PHE 89 OK 68 68 100 100 3.5-5.3 3.0/10457=78...(23) QD1 LEU 100 - QE PHE 89 far 0 68 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 11382 from aliabs.peaks (0.28, 7.41, 131.12 ppm; 4.85 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + QE PHE 89 OK 97 97 100 100 1.9-3.6 11326=94, 9924/2.2=84...(27) QD1 ILE 80 + QE PHE 89 OK 95 95 100 100 2.7-5.3 9747/2.2=86, 9749=82...(36) Violated in 0 structures by 0.00 A. Peak 11383 from aliabs.peaks (7.99, 3.80, 59.97 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: H SER 94 + HA ARG 90 OK 100 100 100 100 3.8-4.9 7275=100, 7281/2793=88...(12) H ILE 129 - HA ARG 90 far 0 96 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 11384 from aliabs.peaks (1.19, 3.16, 43.17 ppm; 3.41 A): 2 out of 10 assignments used, quality = 1.00: QG2 VAL 77 + HD3 ARG 90 OK 100 100 100 100 2.1-4.8 9662/3.0=52, 9676/2.9=47...(37) QG2 VAL 77 + HD2 ARG 90 OK 85 100 85 100 1.8-5.1 9662/3.0=52, 9676/2.9=47...(38) QG2 THR 18 - HD2 ARG 23 far 4 73 5 - 4.6-12.6 QG2 THR 25 - HD3 ARG 23 far 0 89 0 - 5.0-10.4 HG12 ILE 80 - HD2 ARG 90 far 0 67 0 - 5.3-10.2 HG12 ILE 80 - HD3 ARG 90 far 0 68 0 - 5.5-10.0 QG2 THR 25 - HD2 ARG 23 far 0 91 0 - 5.5-9.7 QB ALA 41 - HD3 ARG 23 far 0 88 0 - 5.8-25.8 QG2 THR 18 - HD3 ARG 23 far 0 71 0 - 5.9-13.1 QB ALA 41 - HD2 ARG 23 far 0 90 0 - 6.8-25.9 Violated in 6 structures by 0.14 A. Peak 11385 from aliabs.peaks (1.05, 3.17, 43.17 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.96: QG1 VAL 77 + HD2 ARG 90 OK 80 100 80 100 2.9-6.5 11842/2.9=51...(33) QG1 VAL 77 + HD3 ARG 90 OK 80 100 80 100 2.2-5.7 11842/2.9=51...(33) Violated in 7 structures by 0.20 A. Peak 11386 from aliabs.peaks (0.86, 3.17, 43.17 ppm; 4.03 A): 0 out of 17 assignments used, quality = 0.00: QD2 LEU 22 - HD2 ARG 23 poor 14 69 20 - 3.9-8.1 QD2 LEU 22 - HD3 ARG 23 poor 13 66 20 - 3.9-8.5 QD1 LEU 22 - HD2 ARG 23 poor 12 60 20 - 4.0-9.1 QD1 LEU 22 - HD3 ARG 23 poor 11 57 20 - 2.4-9.4 QG2 ILE 32 - HD3 ARG 23 far 6 61 10 - 3.2-19.2 QG2 ILE 32 - HD2 ARG 23 far 3 65 5 - 4.1-19.2 QG2 VAL 57 - HD2 ARG 23 far 0 91 0 - 7.9-25.8 QD1 LEU 98 - HD3 ARG 23 far 0 88 0 - 8.2-33.3 QD1 LEU 98 - HD2 ARG 23 far 0 92 0 - 8.3-31.9 QG1 VAL 133 - HD2 ARG 90 far 0 76 0 - 8.6-11.7 QG1 VAL 133 - HD3 ARG 90 far 0 75 0 - 8.8-12.3 QD2 LEU 98 - HD3 ARG 90 far 0 82 0 - 9.1-13.8 QG2 VAL 57 - HD3 ARG 23 far 0 88 0 - 9.1-25.9 QD2 LEU 98 - HD2 ARG 23 far 0 71 0 - 9.1-29.5 QD2 LEU 70 - HD3 ARG 90 far 0 99 0 - 9.3-14.1 QD1 LEU 98 - HD3 ARG 90 far 0 100 0 - 9.5-15.0 QD2 LEU 98 - HD3 ARG 23 far 0 68 0 - 9.5-31.0 Violated in 14 structures by 0.93 A. Peak 11387 from aliabs.peaks (1.40, 3.97, 58.93 ppm; 5.12 A): 4 out of 14 assignments used, quality = 0.91: QB ALA 92 + HA GLU 91 OK 68 68 100 100 5.0-5.0 11308/3.0=71...(19) HG2 LYS 95 + HA GLU 91 OK 45 92 65 75 4.2-7.2 4.6/7290=31, 9914/3.9=27...(7) QB ALA 92 + HA GLN 127 OK 33 53 80 76 6.0-7.6 10439/3.6=51...(5) HG3 LYS 95 + HA GLU 91 OK 23 87 45 59 5.4-7.9 4.6/7290=31, 9914/3.9=17...(7) HB2 LEU 96 - HA GLN 127 far 0 60 0 - 6.7-9.0 HG LEU 96 - HA GLU 91 far 0 99 0 - 7.2-10.4 HB2 LEU 96 - HA GLU 91 far 0 76 0 - 8.1-10.2 QB ALA 29 - HA GLN 127 far 0 56 0 - 8.1-18.0 QB ALA 28 - HA GLU 91 far 0 85 0 - 8.2-24.8 HG LEU 96 - HA GLN 127 far 0 86 0 - 8.3-10.1 HG2 LYS 86 - HA GLU 91 far 0 97 0 - 8.7-11.4 HG3 LYS 95 - HA GLN 127 far 0 70 0 - 8.8-15.2 HG2 LYS 26 - HA GLN 127 far 0 51 0 - 9.5-25.8 HG2 LYS 95 - HA GLN 127 far 0 75 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 11388 from aliabs.peaks (1.41, 1.99, 28.84 ppm; 5.06 A): 1 out of 9 assignments used, quality = 0.89: QB ALA 92 + HB2 GLU 91 OK 89 89 100 100 3.8-4.9 3.0/7252=90...(24) HG2 LYS 95 - HB2 GLU 91 poor 15 73 20 - 5.5-8.6 QB ALA 16 - HB3 PRO 56 far 8 50 15 - 4.8-35.7 HG3 LYS 95 - HB2 GLU 91 far 3 65 5 - 6.3-9.6 HG3 LYS 19 - HB3 PRO 56 far 2 43 5 - 6.5-42.3 HG2 LYS 86 - HB2 GLU 91 far 0 100 0 - 7.8-10.9 HG LEU 96 - HB2 GLU 91 far 0 92 0 - 8.5-12.1 QB ALA 109 - HB3 PRO 56 far 0 43 0 - 8.9-16.4 QB ALA 28 - HB3 PRO 56 far 0 37 0 - 9.0-25.2 Violated in 0 structures by 0.00 A. Peak 11389 from aliabs.peaks (3.22, 2.09, 35.29 ppm; 5.88 A): 2 out of 4 assignments used, quality = 0.88: HB2 PHE 87 + HG3 GLU 91 OK 79 99 80 100 4.1-8.1 2.5/9917=86, ~9918=74...(13) HB3 PHE 87 + HG3 GLU 91 OK 41 92 45 100 5.4-8.5 2.5/9917=86, ~9918=74...(13) HB3 CYS 125 - HG3 GLU 91 poor 19 85 45 49 5.7-12.1 9927/11398=24...(6) HD3 ARG 135 - HG3 GLU 91 far 0 92 0 - 9.9-14.0 Violated in 15 structures by 0.42 A. Peak 11390 from aliabs.peaks (3.23, 2.21, 35.29 ppm; 6.58 A): 3 out of 4 assignments used, quality = 0.87: HB2 PHE 87 + HG2 GLU 91 OK 70 100 70 100 5.4-9.2 2.5/9918=99, ~9917=80...(11) HA VAL 93 + HG2 GLU 91 OK 41 57 75 96 6.8-8.6 3.6/9226=54...(10) HB3 PHE 87 + HG2 GLU 91 OK 25 98 25 100 6.1-9.5 2.5/9918=99, ~9917=80...(12) HB3 CYS 125 - HG2 GLU 91 poor 14 71 65 30 5.1-11.9 9927/9940=13...(4) Violated in 3 structures by 0.01 A. Peak 11391 from aliabs.peaks (7.31, 1.99, 28.84 ppm; 6.35 A): 2 out of 3 assignments used, quality = 0.99: QD PHE 87 + HB2 GLU 91 OK 99 99 100 100 3.3-6.2 9918/3.0=94...(13) HE ARG 90 + HB2 GLU 91 OK 29 60 70 69 5.7-8.5 9919/2861=38...(7) H ASN 85 - HB2 GLU 91 far 0 68 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 11392 from aliabs.peaks (8.24, 4.05, 54.95 ppm; 6.47 A): 0 out of 2 assignments used, quality = 0.00: H LEU 123 - HA ALA 92 far 0 71 0 - 8.5-11.8 H ASP 131 - HA ALA 92 far 0 57 0 - 8.6-10.3 Violated in 20 structures by 2.18 A. Peak 11393 from aliabs.peaks (8.00, 1.43, 18.11 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: H SER 94 + QB ALA 92 OK 100 100 100 100 4.4-4.9 9220=64, 7279/7267=63...(27) H ILE 129 + QB ALA 92 OK 99 99 100 100 2.7-4.2 10476=77, 7873/10491=64...(23) Violated in 0 structures by 0.00 A. Peak 11394 from aliabs.peaks (7.08, 1.43, 18.11 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 89 + QB ALA 92 OK 93 93 100 100 4.3-4.9 3.1/2897=95...(20) Violated in 0 structures by 0.00 A. Peak 11395 from aliabs.peaks (2.74, 4.05, 54.95 ppm; 5.49 A): 1 out of 3 assignments used, quality = 0.97: HB2 CYS 125 + HA ALA 92 OK 97 97 100 100 2.0-5.5 ~10376=61, 1.8/9927=59...(21) HB2 CYS 73 - HA ALA 92 far 0 100 0 - 7.2-9.6 HB2 ASP 131 - HA ALA 92 far 0 65 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 11396 from aliabs.peaks (2.73, 1.43, 18.11 ppm; 4.74 A): 2 out of 2 assignments used, quality = 1.00: HB2 CYS 125 + QB ALA 92 OK 100 100 100 100 2.2-4.8 3.0/10376=69...(23) HB2 CYS 73 + QB ALA 92 OK 60 99 70 86 4.5-6.6 9959/9945=51...(10) Violated in 0 structures by 0.00 A. Peak 11397 from aliabs.peaks (1.15, 4.05, 54.95 ppm; 6.21 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 132 + HA ALA 92 OK 98 98 100 100 5.8-7.4 11737/9942=76, ~11658=57...(16) QG1 VAL 132 + HA ALA 92 OK 60 81 75 99 6.4-8.7 ~9947=52, ~9947=47...(13) Violated in 10 structures by 0.10 A. Peak 11398 from aliabs.peaks (2.09, 4.05, 54.95 ppm; 4.88 A): 2 out of 3 assignments used, quality = 0.92: HG3 GLU 91 + HA ALA 92 OK 75 100 75 100 3.4-6.5 2889/2.9=70, 2884/4.9=60...(29) HB2 GLU 128 + HA ALA 92 OK 69 98 70 100 4.1-6.9 10444/2.1=87, ~10447=56...(28) HB VAL 126 - HA ALA 92 far 0 85 0 - 7.1-9.4 Violated in 3 structures by 0.07 A. Peak 11399 from aliabs.peaks (2.33, 1.43, 18.11 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.72: HG2 GLU 128 + QB ALA 92 OK 72 97 75 100 1.9-6.7 10446=95, 1.8/10447=81...(19) HG2 GLN 127 - QB ALA 92 far 0 95 0 - 6.1-7.9 HB VAL 77 - QB ALA 92 far 0 97 0 - 6.5-8.0 HB3 GLN 101 - QB ALA 92 far 0 60 0 - 9.8-12.6 Violated in 12 structures by 0.85 A. Peak 11400 from aliabs.peaks (2.22, 1.43, 18.11 ppm; 3.88 A): 3 out of 6 assignments used, quality = 1.00: HB3 GLU 128 + QB ALA 92 OK 98 99 100 100 2.0-5.2 1.8/10444=69...(21) HG2 GLU 91 + QB ALA 92 OK 71 95 75 100 3.2-6.0 3.0/11316=52...(25) HB3 LEU 96 + QB ALA 92 OK 53 85 70 90 3.4-6.1 11354/10491=23...(21) HB3 GLN 127 - QB ALA 92 far 0 100 0 - 6.0-8.8 HG2 GLU 97 - QB ALA 92 far 0 85 0 - 7.1-9.1 HB3 GLU 97 - QB ALA 92 far 0 100 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 11401 from aliabs.peaks (0.76, 4.05, 54.95 ppm; 5.23 A): 4 out of 4 assignments used, quality = 1.00: QG1 VAL 93 + HA ALA 92 OK 100 100 100 100 4.6-6.1 2.1/9943=75, ~9945=73...(30) QD2 LEU 96 + HA ALA 92 OK 99 99 100 100 3.8-6.0 11806/4.9=59...(27) HG12 ILE 129 + HA ALA 92 OK 98 98 100 100 4.0-5.7 10483/2.1=83, ~10491=82...(27) QD1 LEU 96 + HA ALA 92 OK 73 87 85 99 4.9-7.0 9987/9927=35...(26) Violated in 0 structures by 0.00 A. Peak 11402 from aliabs.peaks (0.85, 3.25, 66.70 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.93: QD2 LEU 70 + HA VAL 93 OK 79 99 80 99 3.3-6.6 9485/3.2=62, 9495=59...(24) QG2 ILE 129 + HA VAL 93 OK 68 68 100 100 3.8-5.6 3.0/10461=70...(46) QD2 LEU 69 - HA VAL 93 far 5 90 5 - 4.8-8.9 QD1 LEU 98 - HA VAL 93 far 0 98 0 - 6.9-9.2 QG1 VAL 133 - HA VAL 93 far 0 97 0 - 7.4-8.7 Violated in 5 structures by 0.09 A. Peak 11403 from aliabs.peaks (0.85, 1.83, 31.24 ppm; 5.47 A): 3 out of 8 assignments used, quality = 0.94: QG2 ILE 129 + HB VAL 93 OK 76 76 100 100 4.1-5.8 11405/2.1=72, ~10487=72...(39) QD2 LEU 70 + HB VAL 93 OK 63 97 65 100 4.4-8.3 9485/2.1=95, 9495/3.0=84...(14) QG1 VAL 133 + HB3 ARG 135 OK 28 50 65 87 5.8-7.5 10556/7982=39...(12) QD2 LEU 69 - HB VAL 93 far 8 85 10 - 6.1-10.8 QG1 VAL 133 - HB VAL 93 far 0 99 0 - 7.2-9.1 QD1 LEU 98 - HB VAL 93 far 0 96 0 - 7.6-10.2 QG2 ILE 129 - HB3 ARG 135 far 0 34 0 - 7.7-9.9 QG2 ILE 32 - HB VAL 93 far 0 99 0 - 9.8-16.9 Violated in 0 structures by 0.00 A. Peak 11404 from aliabs.peaks (0.64, 1.83, 31.24 ppm; 5.63 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 129 + HB VAL 93 OK 100 100 100 100 3.0-5.7 10487/2.1=99...(39) QD1 LEU 42 - HB VAL 93 far 10 96 10 - 5.7-10.5 QD1 LEU 42 - HB3 ARG 135 far 0 47 0 - 8.7-12.6 Violated in 1 structures by 0.00 A. Peak 11405 from aliabs.peaks (0.84, 0.29, 23.10 ppm; 3.35 A): 2 out of 9 assignments used, quality = 0.89: QG2 ILE 129 + QG2 VAL 93 OK 84 89 95 100 1.9-4.9 3.0/10487=52...(52) QD2 LEU 70 + QG2 VAL 93 OK 31 90 35 98 3.4-6.5 9485=50, 2.1/11407=41...(27) QG2 ILE 80 - QG2 VAL 93 poor 14 68 20 - 4.2-7.8 QD1 LEU 70 - QG2 VAL 93 far 6 60 10 - 4.3-6.3 QG1 VAL 133 - QG2 VAL 93 far 5 100 5 - 4.6-7.3 QD2 LEU 69 - QG2 VAL 93 far 4 71 5 - 3.4-7.9 HG13 ILE 80 - QG2 VAL 93 far 0 60 0 - 6.5-8.7 QD1 LEU 98 - QG2 VAL 93 far 0 87 0 - 7.0-9.5 QG2 ILE 32 - QG2 VAL 93 far 0 100 0 - 7.7-13.0 Violated in 1 structures by 0.06 A. Peak 11406 from aliabs.peaks (0.84, 0.75, 21.32 ppm; 2.93 A): 3 out of 9 assignments used, quality = 0.75: QG2 ILE 129 + QG1 VAL 93 OK 50 93 55 97 2.6-5.0 11405/2.1=37, 4140=21...(42) QD2 LEU 70 + QG1 VAL 93 OK 33 85 45 86 2.0-5.6 9485/2.1=29, 9495/3.2=20...(21) QD1 LEU 70 + QG1 VAL 93 OK 24 68 40 89 2.4-6.9 ~9485=23, ~9485=21...(22) QD2 LEU 69 - QG1 VAL 93 far 3 63 5 - 4.4-7.7 QG1 VAL 133 - QG1 VAL 93 far 0 100 0 - 5.2-7.7 QG2 ILE 80 - QG1 VAL 93 far 0 76 0 - 5.6-9.0 HG13 ILE 80 - QG1 VAL 93 far 0 68 0 - 6.1-10.4 QD1 LEU 98 - QG1 VAL 93 far 0 81 0 - 6.3-8.4 QG2 ILE 32 - QG1 VAL 93 far 0 100 0 - 6.7-12.7 Violated in 16 structures by 0.65 A. Peak 11407 from aliabs.peaks (1.64, 0.29, 23.10 ppm; 4.39 A): 1 out of 14 assignments used, quality = 0.26: HG LEU 70 + QG2 VAL 93 OK 26 73 35 99 4.7-7.8 2.1/9485=80, 3.7/9484=48...(17) HD2 LYS 95 - QG2 VAL 93 far 0 87 0 - 5.9-9.0 QB ALA 88 - QG2 VAL 93 far 0 65 0 - 6.0-7.5 HB2 LEU 69 - QG2 VAL 93 far 0 93 0 - 6.1-8.6 HD3 LYS 95 - QG2 VAL 93 far 0 76 0 - 6.1-8.5 HD3 LYS 86 - QG2 VAL 93 far 0 89 0 - 6.4-10.0 HD2 LYS 86 - QG2 VAL 93 far 0 83 0 - 7.2-9.9 HB2 LEU 122 - QG2 VAL 93 far 0 65 0 - 7.7-10.8 HD2 LYS 36 - QG2 VAL 93 far 0 68 0 - 8.8-14.1 HG LEU 43 - QG2 VAL 93 far 0 99 0 - 9.0-12.7 HD3 LYS 31 - QG2 VAL 93 far 0 78 0 - 9.1-21.2 HB2 LEU 98 - QG2 VAL 93 far 0 97 0 - 9.1-10.5 HD2 LYS 31 - QG2 VAL 93 far 0 85 0 - 9.8-20.4 HD3 LYS 36 - QG2 VAL 93 far 0 71 0 - 9.9-14.8 Violated in 20 structures by 2.11 A. Peak 11408 from aliabs.peaks (1.72, 0.29, 23.10 ppm; 4.03 A): 3 out of 8 assignments used, quality = 0.98: HG3 ARG 90 + QG2 VAL 93 OK 86 92 95 99 3.6-5.9 2.9/11411=57...(20) HG13 ILE 129 + QG2 VAL 93 OK 78 78 100 100 1.8-5.1 2.1/10487=86...(36) HB2 LEU 70 + QG2 VAL 93 OK 22 89 25 99 5.1-7.4 3.2/9485=56...(17) HB3 LEU 70 - QG2 VAL 93 far 15 99 15 - 4.9-7.2 HB ILE 80 - QG2 VAL 93 far 0 95 0 - 6.7-8.0 HG LEU 98 - QG2 VAL 93 far 0 95 0 - 6.8-10.4 HB2 LEU 43 - QG2 VAL 93 far 0 85 0 - 9.5-13.8 HG2 ARG 135 - QG2 VAL 93 far 0 81 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 11409 from aliabs.peaks (1.73, 0.75, 21.32 ppm; 4.07 A): 4 out of 7 assignments used, quality = 0.98: HG13 ILE 129 + QG1 VAL 93 OK 76 85 90 100 2.5-6.4 ~10487=54, ~10487=52...(33) HB3 LEU 70 + QG1 VAL 93 OK 71 97 75 99 3.4-7.6 3.2/11322=36, ~9485=35...(22) HB2 LEU 70 + QG1 VAL 93 OK 45 83 55 99 3.6-6.7 3.2/11322=36, ~9485=35...(21) HG3 ARG 90 + QG1 VAL 93 OK 36 96 40 95 4.0-7.1 3.8/9962=52...(12) HG LEU 98 - QG1 VAL 93 far 0 90 0 - 6.2-8.8 HB ILE 80 - QG1 VAL 93 far 0 97 0 - 6.6-9.9 HB2 LYS 31 - QG1 VAL 93 far 0 87 0 - 9.5-19.6 Violated in 9 structures by 0.10 A. Peak 11410 from aliabs.peaks (1.65, 0.75, 21.32 ppm; 4.30 A): 0 out of 13 assignments used, quality = 0.00: HD3 LYS 95 - QG1 VAL 93 far 5 95 5 - 5.6-8.4 QB ALA 88 - QG1 VAL 93 far 0 89 0 - 5.9-8.3 HB2 LEU 69 - QG1 VAL 93 far 0 100 0 - 6.1-9.0 HD2 LYS 95 - QG1 VAL 93 far 0 99 0 - 6.3-8.5 HD3 LYS 31 - QG1 VAL 93 far 0 96 0 - 7.0-20.5 HD3 LYS 86 - QG1 VAL 93 far 0 99 0 - 7.2-11.0 HD2 LYS 86 - QG1 VAL 93 far 0 97 0 - 7.4-10.9 HD2 LYS 31 - QG1 VAL 93 far 0 98 0 - 7.6-20.5 HB2 LEU 98 - QG1 VAL 93 far 0 100 0 - 8.0-10.5 HD2 LYS 36 - QG1 VAL 93 far 0 90 0 - 9.1-13.6 HD2 LYS 24 - QG1 VAL 93 far 0 92 0 - 9.3-25.4 HD3 LYS 36 - QG1 VAL 93 far 0 92 0 - 9.5-14.4 HD3 LYS 24 - QG1 VAL 93 far 0 99 0 - 9.8-26.7 Violated in 20 structures by 1.21 A. Peak 11411 from aliabs.peaks (1.94, 0.29, 23.10 ppm; 4.21 A): 1 out of 7 assignments used, quality = 0.89: HB3 ARG 90 + QG2 VAL 93 OK 89 99 90 100 4.2-6.0 3.0/9953=69, ~9962=40...(27) HB2 LYS 95 - QG2 VAL 93 far 0 99 0 - 5.8-7.7 HB3 LYS 95 - QG2 VAL 93 far 0 100 0 - 6.9-8.0 HB3 LYS 86 - QG2 VAL 93 far 0 96 0 - 7.4-9.2 HB2 GLU 30 - QG2 VAL 93 far 0 99 0 - 8.1-20.6 HB2 GLN 27 - QG2 VAL 93 far 0 83 0 - 8.2-21.5 HB ILE 37 - QG2 VAL 93 far 0 73 0 - 8.5-11.7 Violated in 19 structures by 0.64 A. Peak 11412 from aliabs.peaks (2.02, 0.29, 23.10 ppm; 4.39 A): 2 out of 7 assignments used, quality = 0.98: HB ILE 129 + QG2 VAL 93 OK 90 95 95 100 3.3-6.8 3.2/10487=77...(35) HG2 ARG 90 + QG2 VAL 93 OK 84 99 85 100 4.9-6.2 2.9/11411=67...(16) HB2 GLU 91 - QG2 VAL 93 far 8 81 10 - 5.8-6.6 HB3 GLU 91 - QG2 VAL 93 far 0 89 0 - 6.1-7.4 HB3 GLU 30 - QG2 VAL 93 far 0 100 0 - 6.9-20.6 HG2 PRO 81 - QG2 VAL 93 far 0 98 0 - 8.3-11.1 HG3 ARG 135 - QG2 VAL 93 far 0 89 0 - 9.5-12.8 Violated in 2 structures by 0.03 A. Peak 11413 from aliabs.peaks (2.36, 0.29, 23.10 ppm; 4.90 A): 2 out of 4 assignments used, quality = 0.82: HB VAL 77 + QG2 VAL 93 OK 76 76 100 100 2.6-3.9 2.1/9969=88, 2.1/9648=47...(18) HG2 GLU 128 + QG2 VAL 93 OK 27 78 40 86 4.9-11.4 10446/9945=51...(10) HG2 GLN 127 - QG2 VAL 93 far 0 83 0 - 8.5-11.4 HG2 GLN 27 - QG2 VAL 93 far 0 85 0 - 9.3-22.4 Violated in 0 structures by 0.00 A. Peak 11414 from aliabs.peaks (3.16, 0.75, 21.32 ppm; 4.58 A): 0 out of 3 assignments used, quality = 0.00: HB3 TYR 76 - QG1 VAL 93 poor 16 63 25 - 4.7-8.0 HD3 ARG 90 - QG1 VAL 93 far 15 100 15 - 5.6-8.5 HD2 ARG 90 - QG1 VAL 93 far 10 100 10 - 5.6-8.1 Violated in 19 structures by 1.00 A. Peak 11415 from aliabs.peaks (3.16, 0.29, 23.10 ppm; 4.48 A): 2 out of 3 assignments used, quality = 0.46: HB3 TYR 76 + QG2 VAL 93 OK 29 63 55 83 4.7-7.0 1.8/9959=22...(15) HD3 ARG 90 + QG2 VAL 93 OK 25 100 25 98 5.5-7.7 3.8/11411=58...(15) HD2 ARG 90 - QG2 VAL 93 poor 20 100 20 - 5.6-7.2 Violated in 20 structures by 0.86 A. Peak 11416 from aliabs.peaks (3.46, 0.75, 21.32 ppm; 5.44 A): 3 out of 4 assignments used, quality = 1.00: HA VAL 77 + QG1 VAL 93 OK 98 99 100 100 4.7-6.9 ~9969=59, 9666/11429=56...(21) HA VAL 126 + QG1 VAL 93 OK 65 76 100 85 5.1-6.2 ~11327=23, ~2908=20...(14) HA ILE 129 + QG1 VAL 93 OK 35 100 35 100 4.7-7.9 3.2/11322=55...(20) HA LEU 42 - QG1 VAL 93 far 0 97 0 - 8.2-10.6 Violated in 2 structures by 0.01 A. Peak 11417 from aliabs.peaks (3.79, 3.25, 66.70 ppm; 4.95 A): 2 out of 5 assignments used, quality = 0.98: HA ARG 90 + HA VAL 93 OK 97 97 100 100 4.9-5.4 2793/3.0=81...(17) HA GLU 97 + HA VAL 93 OK 36 65 55 99 5.6-7.3 11809/11806=48...(22) HB2 SER 99 - HA VAL 93 far 0 63 0 - 7.5-10.1 HA SER 130 - HA VAL 93 far 0 90 0 - 8.8-10.7 HB3 SER 130 - HA VAL 93 far 0 89 0 - 9.0-11.5 Violated in 9 structures by 0.04 A. Peak 11418 from aliabs.peaks (4.05, 3.25, 66.70 ppm; 5.05 A): 5 out of 6 assignments used, quality = 1.00: HA LEU 96 + HA VAL 93 OK 99 99 100 100 4.5-5.5 2.9/7311=83...(36) HA ALA 92 + HA VAL 93 OK 99 99 100 100 4.7-4.9 4.9=100 HB2 SER 74 + HA VAL 93 OK 84 99 90 95 4.8-6.9 11421/3.2=33, ~11421=28...(19) HA LYS 95 + HA VAL 93 OK 68 76 90 100 6.2-6.6 3.6/7311=74, 2.9/7293=60...(19) HB3 SER 74 + HA VAL 93 OK 45 96 50 94 5.0-7.3 11421/3.2=31, ~11421=29...(18) HA LEU 122 - HA VAL 93 poor 20 99 20 - 5.9-8.4 Violated in 0 structures by 0.00 A. Peak 11419 from aliabs.peaks (3.90, 0.29, 23.10 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.83: HA LEU 70 + QG2 VAL 93 OK 73 73 100 99 3.9-5.2 4.0/9485=49...(20) HB2 SER 94 + QG2 VAL 93 OK 40 99 40 99 2.8-6.1 11420/2.1=77...(18) HA3 GLY 75 - QG2 VAL 93 far 0 96 0 - 5.6-6.9 HA LYS 86 - QG2 VAL 93 far 0 87 0 - 5.8-7.5 HA ALA 46 - QG2 VAL 93 far 0 95 0 - 7.1-11.0 HB2 SER 33 - QG2 VAL 93 far 0 100 0 - 8.9-17.1 Violated in 17 structures by 0.25 A. Peak 11420 from aliabs.peaks (3.91, 0.75, 21.32 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.88: HB2 SER 94 + QG1 VAL 93 OK 88 95 100 93 3.8-5.3 3.0/9963=54, 3.6/2929=46...(12) HA3 GLY 75 - QG1 VAL 93 far 0 85 0 - 5.6-6.5 HA LYS 86 - QG1 VAL 93 far 0 71 0 - 5.7-8.5 HB2 SER 33 - QG1 VAL 93 far 0 100 0 - 8.2-17.5 HA ALA 46 - QG1 VAL 93 far 0 83 0 - 8.5-11.1 HB2 SER 107 - QG1 VAL 93 far 0 99 0 - 9.1-17.6 Violated in 19 structures by 0.64 A. Peak 11421 from aliabs.peaks (4.06, 0.75, 21.32 ppm; 4.07 A): 2 out of 7 assignments used, quality = 0.97: HB2 SER 74 + QG1 VAL 93 OK 83 99 100 84 1.9-5.2 3.9/2924=23, 3.0/9590=23...(18) HB3 SER 74 + QG1 VAL 93 OK 80 100 95 84 2.2-5.9 3.9/2924=23, 3.0/9590=23...(17) HA ALA 92 - QG1 VAL 93 far 5 98 5 - 4.6-6.1 HA LEU 96 - QG1 VAL 93 far 5 97 5 - 5.5-7.0 HA PHE 89 - QG1 VAL 93 far 4 78 5 - 3.7-6.6 HA LEU 122 - QG1 VAL 93 far 0 73 0 - 6.4-8.7 HD3 PRO 81 - QG1 VAL 93 far 0 65 0 - 8.3-12.0 Violated in 1 structures by 0.04 A. Peak 11422 from aliabs.peaks (4.36, 0.75, 21.32 ppm; 4.59 A): 1 out of 6 assignments used, quality = 0.89: HA CYS 73 + QG1 VAL 93 OK 89 89 100 100 3.7-5.3 9955/2.1=83, 3.0/9961=75...(26) HA CYS 125 - QG1 VAL 93 far 0 100 0 - 6.3-9.0 HA LEU 69 - QG1 VAL 93 far 0 96 0 - 6.7-8.6 HA ASP 78 - QG1 VAL 93 far 0 73 0 - 7.6-8.9 HA SER 9 - QG1 VAL 93 far 0 83 0 - 8.0-39.7 HA SER 107 - QG1 VAL 93 far 0 60 0 - 8.1-15.8 Violated in 9 structures by 0.16 A. Peak 11423 from aliabs.peaks (7.82, 3.25, 66.70 ppm; 5.95 A): 1 out of 2 assignments used, quality = 1.00: H ALA 92 + HA VAL 93 OK 100 100 100 100 5.1-5.3 9930=100, 7258/2.9=100...(27) H GLY 75 - HA VAL 93 far 6 63 10 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 11424 from aliabs.peaks (7.42, 0.29, 23.10 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.96: QE PHE 89 + QG2 VAL 93 OK 96 97 100 100 1.9-3.6 2.2/9924=61...(25) Violated in 0 structures by 0.00 A. Peak 11425 from aliabs.peaks (8.27, 0.29, 23.10 ppm; 4.54 A): 1 out of 9 assignments used, quality = 0.99: H LEU 96 + QG2 VAL 93 OK 99 99 100 100 4.7-5.2 11432/2.1=72...(35) H VAL 126 - QG2 VAL 93 far 15 97 15 - 5.7-7.8 H ALA 29 - QG2 VAL 93 far 0 81 0 - 7.0-18.3 H ASP 131 - QG2 VAL 93 far 0 100 0 - 7.0-10.3 H GLU 30 - QG2 VAL 93 far 0 100 0 - 7.6-19.0 H LEU 69 - QG2 VAL 93 far 0 60 0 - 7.9-9.6 H SER 99 - QG2 VAL 93 far 0 78 0 - 8.4-9.4 H LEU 43 - QG2 VAL 93 far 0 87 0 - 8.8-11.6 H LEU 123 - QG2 VAL 93 far 0 100 0 - 9.1-11.3 Violated in 20 structures by 0.45 A. Peak 11426 from aliabs.peaks (8.85, 0.29, 23.10 ppm; 6.14 A): 1 out of 1 assignment used, quality = 1.00: H CYS 73 + QG2 VAL 93 OK 100 100 100 100 4.3-5.2 9566=98, 2.9/9955=97...(23) Violated in 0 structures by 0.00 A. Peak 11427 from aliabs.peaks (7.83, 0.75, 21.32 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.92: H ALA 92 + QG1 VAL 93 OK 92 92 100 100 3.2-6.0 9936/2.1=81, 9939/2.1=73...(21) H ALA 88 - QG1 VAL 93 far 0 76 0 - 6.9-9.8 H GLU 102 - QG1 VAL 93 far 0 76 0 - 8.6-11.6 H GLN 68 - QG1 VAL 93 far 0 60 0 - 9.0-11.2 Violated in 19 structures by 0.75 A. Peak 11428 from aliabs.peaks (7.74, 0.75, 21.32 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.90: H LEU 98 + QG1 VAL 93 OK 90 98 95 97 5.6-8.1 3146/9972=48...(16) Violated in 20 structures by 0.89 A. Peak 11429 from aliabs.peaks (7.41, 0.75, 21.32 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + QG1 VAL 93 OK 100 100 100 100 1.8-4.2 11424/2.1=91, ~9924=59...(16) Violated in 0 structures by 0.00 A. Peak 11430 from aliabs.peaks (7.32, 0.75, 21.32 ppm; 5.06 A): 2 out of 3 assignments used, quality = 0.97: HZ PHE 89 + QG1 VAL 93 OK 96 97 100 100 3.7-6.0 2.2/11429=81, ~11424=69...(12) HE ARG 90 + QG1 VAL 93 OK 23 78 35 85 4.4-8.1 5.6/9962=51...(7) QD PHE 87 - QG1 VAL 93 far 0 100 0 - 7.7-10.2 Violated in 8 structures by 0.11 A. Peak 11431 from aliabs.peaks (7.11, 0.75, 21.32 ppm; 5.98 A): 0 out of 1 assignment used, quality = 0.00: QD TYR 72 - QG1 VAL 93 poor 14 65 65 34 5.4-8.0 6996/11329=18...(7) Violated in 17 structures by 1.14 A. Peak 11432 from aliabs.peaks (8.27, 0.75, 21.32 ppm; 4.65 A): 1 out of 8 assignments used, quality = 0.98: H LEU 96 + QG1 VAL 93 OK 98 98 100 100 4.0-5.2 11425/2.1=77...(32) H GLU 30 - QG1 VAL 93 far 5 100 5 - 5.3-18.4 H ALA 29 - QG1 VAL 93 far 4 87 5 - 4.4-18.0 H VAL 126 - QG1 VAL 93 far 0 95 0 - 6.6-7.7 H SER 99 - QG1 VAL 93 far 0 71 0 - 7.2-9.5 H ASP 131 - QG1 VAL 93 far 0 99 0 - 7.8-10.4 H LEU 123 - QG1 VAL 93 far 0 100 0 - 9.3-10.9 H LEU 43 - QG1 VAL 93 far 0 81 0 - 9.6-12.0 Violated in 7 structures by 0.06 A. Peak 11433 from aliabs.peaks (8.56, 0.75, 21.32 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.77: H ARG 90 + QG1 VAL 93 OK 77 97 80 100 3.5-6.3 2.9/9962=78, ~9953=52...(16) H ALA 46 - QG1 VAL 93 far 0 73 0 - 9.1-11.4 Violated in 19 structures by 1.30 A. Peak 11434 from aliabs.peaks (0.75, 4.24, 61.49 ppm; 5.00 A): 3 out of 11 assignments used, quality = 1.00: QG1 VAL 93 + HA SER 94 OK 100 100 100 100 2.9-5.1 9963=100, 11420/3.0=86...(24) QD2 LEU 96 + HA SER 94 OK 100 100 100 100 3.1-5.8 11806/4.9=55...(22) QD1 LEU 96 + HA SER 94 OK 73 76 100 96 3.7-6.1 4.6/7313=39...(20) QD2 LEU 96 - HA SER 124 far 0 93 0 - 6.5-10.0 QD1 LEU 96 - HA SER 124 far 0 66 0 - 7.2-9.6 QD1 ILE 32 - HA SER 94 far 0 87 0 - 7.3-17.0 HG12 ILE 129 - HA SER 94 far 0 100 0 - 7.5-9.3 HG12 ILE 129 - HA SER 124 far 0 93 0 - 7.7-10.1 QD2 LEU 43 - HA SER 124 far 0 92 0 - 8.7-12.3 QD2 LEU 103 - HA SER 124 far 0 78 0 - 9.8-12.9 QG1 VAL 93 - HA SER 124 far 0 93 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 11435 from aliabs.peaks (0.87, 4.24, 61.49 ppm; 5.29 A): 4 out of 12 assignments used, quality = 1.00: QD2 LEU 98 + HA SER 94 OK 94 97 100 98 3.6-5.9 11918/2.9=80...(9) QD2 LEU 123 + HA SER 124 OK 87 87 100 100 4.4-5.8 3.2/11573=72...(20) QD1 LEU 98 + HA SER 94 OK 68 96 75 95 4.2-7.1 ~11918=59, ~11438=49...(9) QD2 LEU 70 + HA SER 94 OK 51 93 55 99 4.8-8.1 9485/9956=57...(14) QD2 LEU 69 - HA SER 124 far 0 92 0 - 6.8-10.9 QG1 VAL 118 - HA SER 94 far 0 78 0 - 7.2-11.0 QG1 VAL 118 - HA SER 124 far 0 68 0 - 7.3-9.3 QD2 LEU 70 - HA SER 124 far 0 83 0 - 7.7-11.7 QG2 VAL 57 - HA SER 124 far 0 83 0 - 8.4-13.0 QD2 LEU 69 - HA SER 94 far 0 100 0 - 8.5-12.7 QD2 LEU 98 - HA SER 124 far 0 87 0 - 8.6-13.4 QD2 LEU 48 - HA SER 124 far 0 64 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 11436 from aliabs.peaks (1.39, 3.90, 63.10 ppm; 4.83 A): 4 out of 16 assignments used, quality = 0.84: QB ALA 34 + HB2 SER 33 OK 50 50 100 100 3.5-6.0 2.9/6373=86...(12) HG2 LYS 36 + HB2 SER 33 OK 44 66 70 95 3.5-7.7 10784/1.8=26...(20) HG LEU 96 + HB2 SER 94 OK 27 100 35 78 5.8-9.0 2.1/11437=26...(10) HG3 LYS 95 + HB2 SER 94 OK 22 99 50 45 5.7-7.3 2988/4.4=27, 3.0/2638=8...(5) HG2 LYS 95 - HB2 SER 94 poor 20 100 20 - 4.6-7.6 HG3 LYS 31 - HB2 SER 33 far 11 71 15 - 4.7-10.1 HG3 LYS 26 - HB2 SER 33 far 10 67 15 - 3.1-20.6 QB ALA 29 - HB2 SER 33 far 6 64 10 - 4.8-10.0 QB ALA 28 - HB2 SER 94 far 5 99 5 - 5.1-24.6 QB ALA 15 - HB2 SER 33 far 3 67 5 - 4.3-25.7 HG2 LYS 24 - HB2 SER 33 far 3 61 5 - 5.8-24.5 HB2 LEU 96 - HB2 SER 94 far 0 96 0 - 6.9-9.1 QB ALA 29 - HB2 SER 94 far 0 93 0 - 7.4-19.7 QB ALA 16 - HB2 SER 33 far 0 74 0 - 7.8-24.9 QB ALA 28 - HB2 SER 33 far 0 70 0 - 8.7-11.7 QB ALA 108 - HB2 SER 94 far 0 95 0 - 9.8-21.5 Violated in 1 structures by 0.01 A. Peak 11437 from aliabs.peaks (0.79, 3.90, 63.10 ppm; 5.25 A): 3 out of 10 assignments used, quality = 0.60: QD1 LEU 96 + HB2 SER 94 OK 31 93 40 83 5.7-7.8 2.1/11692=21...(12) QD1 ILE 37 + HB2 SER 33 OK 26 56 60 78 5.3-9.3 10863/1.8=36...(9) QD1 ILE 32 + HB2 SER 33 OK 22 56 40 100 6.0-7.4 ~10862=55, 4.2/10858=54...(23) QD1 LEU 70 - HB2 SER 94 far 0 71 0 - 6.8-9.4 QD1 ILE 32 - HB2 SER 94 far 0 85 0 - 8.1-18.7 QD1 LEU 122 - HB2 SER 94 far 0 85 0 - 8.9-12.6 QD1 LEU 96 - HB2 SER 33 far 0 64 0 - 8.9-16.6 QD2 LEU 122 - HB2 SER 94 far 0 100 0 - 9.0-12.8 QG2 ILE 80 - HB2 SER 94 far 0 63 0 - 9.2-12.5 QD1 LEU 70 - HB2 SER 33 far 0 45 0 - 9.6-16.4 Violated in 14 structures by 0.26 A. Peak 11438 from aliabs.peaks (0.90, 3.90, 63.10 ppm; 5.26 A): 1 out of 7 assignments used, quality = 0.51: QD2 LEU 98 + HB2 SER 94 OK 51 85 95 64 4.7-7.2 11335/3.0=22...(8) QG1 VAL 20 - HB2 SER 33 poor 14 71 20 - 4.9-22.0 QG2 VAL 20 - HB2 SER 33 far 7 70 10 - 4.1-21.7 QG1 VAL 118 - HB2 SER 94 far 0 99 0 - 8.5-12.7 QD1 LEU 22 - HB2 SER 33 far 0 64 0 - 8.6-24.3 QD2 LEU 48 - HB2 SER 33 far 0 72 0 - 8.7-18.6 QD1 LEU 48 - HB2 SER 33 far 0 70 0 - 9.2-16.3 Violated in 12 structures by 0.37 A. Peak 11439 from aliabs.peaks (8.49, 4.02, 59.53 ppm; 6.03 A): 2 out of 2 assignments used, quality = 1.00: H GLU 97 + HA LYS 95 OK 99 99 100 100 3.7-4.5 7330/3.6=97, 7308/2.9=87...(21) H LEU 100 + HA LYS 95 OK 95 100 100 96 6.0-6.7 3.4/2960=42...(17) Violated in 0 structures by 0.00 A. Peak 11440 from aliabs.peaks (0.87, 4.02, 59.53 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: QD1 LEU 98 + HA LYS 95 OK 98 99 100 100 1.8-4.3 11469=66, 2.1/11468=66...(25) QD2 LEU 98 + HA LYS 95 OK 92 92 100 100 1.6-4.6 11470=68, 2.1/11468=66...(26) QG1 VAL 118 - HA LYS 95 far 3 68 5 - 3.8-8.7 QD2 LEU 70 - HA LYS 95 far 0 97 0 - 6.4-9.2 QD2 LEU 69 - HA LYS 95 far 0 100 0 - 9.5-12.7 QD2 LEU 123 - HA LYS 95 far 0 92 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 11441 from aliabs.peaks (0.76, 4.02, 59.53 ppm; 4.84 A): 3 out of 7 assignments used, quality = 0.83: QD2 LEU 96 + HA LYS 95 OK 62 92 70 97 4.2-6.7 3091/3.6=29, 9980/2.9=23...(32) QD1 LEU 96 + HA LYS 95 OK 43 98 45 97 5.0-6.7 3099/3.6=33, 3100/4.9=30...(31) QG1 VAL 93 + HA LYS 95 OK 23 93 25 99 6.1-7.2 11432/3.6=56...(18) QD2 LEU 122 - HA LYS 95 poor 16 78 20 - 5.9-8.8 HG12 ILE 129 - HA LYS 95 far 0 87 0 - 8.5-10.0 QD2 LEU 119 - HA LYS 95 far 0 71 0 - 8.8-13.8 QD1 LEU 53 - HA LYS 95 far 0 60 0 - 9.5-13.9 Violated in 7 structures by 0.05 A. Peak 11442 from aliabs.peaks (0.86, 1.94, 32.11 ppm; 4.44 A): 4 out of 19 assignments used, quality = 1.00: QD1 LEU 98 + HB3 LYS 95 OK 94 99 95 100 3.3-6.1 11469/3.0=56, ~11468=44...(40) QD2 LEU 98 + HB3 LYS 95 OK 77 86 90 100 2.5-6.5 11470/3.0=52, ~11468=44...(40) QD2 LEU 98 + HB2 LYS 95 OK 56 87 65 100 3.1-6.7 11470/3.0=52, ~11468=44...(48) QD1 LEU 98 + HB2 LYS 95 OK 50 100 50 100 4.2-6.5 11469/3.0=56, ~11468=44...(47) QG1 VAL 118 - HB3 LYS 95 far 6 59 10 - 4.1-8.5 QG2 VAL 57 - HB2 PRO 58 far 4 83 5 - 5.8-6.5 QG1 VAL 118 - HB2 LYS 95 far 3 60 5 - 5.4-9.0 QD1 LEU 22 - HB2 PRO 58 far 3 59 5 - 5.3-29.1 QG1 VAL 133 - HB3 PRO 81 far 2 31 5 - 5.9-9.1 QG2 VAL 20 - HB2 PRO 58 far 0 45 0 - 6.9-28.0 QD2 LEU 70 - HB2 LYS 95 far 0 99 0 - 6.9-10.0 QD2 LEU 70 - HB3 LYS 95 far 0 98 0 - 7.0-10.5 QD2 LEU 22 - HB2 PRO 58 far 0 59 0 - 7.1-28.7 QD2 LEU 123 - HB3 LYS 95 far 0 86 0 - 8.7-11.5 QD2 LEU 69 - HB2 LYS 95 far 0 100 0 - 8.9-12.0 QD2 LEU 123 - HB2 LYS 95 far 0 87 0 - 8.9-11.1 QG1 VAL 118 - HB2 PRO 58 far 0 45 0 - 9.2-15.4 QD2 LEU 69 - HB3 LYS 95 far 0 100 0 - 9.3-12.9 QD2 LEU 123 - HB2 PRO 58 far 0 69 0 - 9.5-13.6 Violated in 6 structures by 0.08 A. Peak 11443 from aliabs.peaks (0.77, 1.94, 32.11 ppm; 5.09 A): 5 out of 24 assignments used, quality = 1.00: QD1 LEU 96 + HB2 LYS 95 OK 97 100 100 97 5.4-6.6 9987/11658=31...(35) QD2 LEU 96 + HB2 LYS 95 OK 76 78 100 97 4.0-6.3 11441/3.0=34...(35) QD2 LEU 96 + HB3 LYS 95 OK 67 77 90 97 5.0-6.7 11441/3.0=34...(34) QD1 LEU 96 + HB3 LYS 95 OK 48 100 50 97 5.6-7.5 9987/11658=31...(34) QG1 VAL 93 + HB2 LYS 95 OK 47 81 65 89 6.0-7.5 11332/4.0=41...(13) HG12 ILE 129 - HB2 LYS 95 poor 18 71 25 - 6.0-7.8 QD2 LEU 122 - HB2 LYS 95 poor 14 92 30 50 5.8-9.2 10387/11658=14...(10) QD2 LEU 122 - HB3 LYS 95 poor 14 91 30 50 5.3-9.6 10387/11658=14...(9) QD2 LEU 119 - HB2 PRO 58 poor 13 69 50 39 4.5-14.3 ~10926=12, ~10973=12...(6) QD2 LEU 43 - HB3 PRO 81 far 0 28 0 - 6.8-13.1 QG1 VAL 93 - HB3 LYS 95 far 0 80 0 - 7.0-7.7 QD1 LEU 103 - HB2 PRO 58 far 0 81 0 - 7.3-9.3 HG12 ILE 129 - HB3 LYS 95 far 0 70 0 - 7.3-9.3 QG1 VAL 63 - HB2 PRO 58 far 0 80 0 - 7.4-9.3 QD1 ILE 32 - HB2 PRO 58 far 0 86 0 - 7.4-19.1 QD2 LEU 119 - HB3 LYS 95 far 0 86 0 - 8.4-14.0 QD1 LEU 53 - HB2 LYS 95 far 0 78 0 - 8.8-12.1 QD1 LEU 53 - HB3 LYS 95 far 0 77 0 - 8.9-12.3 QD1 LEU 53 - HB2 PRO 58 far 0 61 0 - 9.0-13.8 QD2 LEU 122 - HB2 PRO 58 far 0 74 0 - 9.1-13.4 QD2 LEU 49 - HB2 LYS 95 far 0 68 0 - 9.3-12.2 QD1 ILE 37 - HB3 PRO 81 far 0 52 0 - 9.7-17.5 QD2 LEU 49 - HB3 LYS 95 far 0 67 0 - 9.8-12.1 QD2 LEU 119 - HB2 LYS 95 far 0 87 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 11445 from aliabs.peaks (0.81, 1.39, 25.38 ppm; 4.02 A): 0 out of 15 assignments used, quality = 0.00: QG2 ILE 129 - HG2 LYS 95 far 0 93 0 - 6.9-10.9 QD1 LEU 70 - HG3 LYS 95 far 0 100 0 - 7.0-11.1 QD2 LEU 122 - HG3 LYS 95 far 0 72 0 - 7.0-9.9 QG2 ILE 129 - HG3 LYS 95 far 0 92 0 - 7.2-11.4 QD1 LEU 70 - HG2 LYS 95 far 0 100 0 - 7.3-11.5 QD2 LEU 122 - HG2 LYS 95 far 0 73 0 - 7.4-10.6 QD1 LEU 122 - HG2 LYS 95 far 0 100 0 - 7.6-11.2 QD1 LEU 122 - HG3 LYS 95 far 0 99 0 - 7.8-11.0 QD2 LEU 119 - HG2 LYS 95 far 0 81 0 - 8.8-15.1 QD2 LEU 119 - HG3 LYS 95 far 0 80 0 - 9.2-15.2 QD2 LEU 49 - HG3 LYS 95 far 0 94 0 - 9.3-14.0 QD1 LEU 53 - HG2 LYS 95 far 0 89 0 - 9.7-13.4 QG1 VAL 133 - HG2 LYS 95 far 0 60 0 - 9.8-13.9 QD1 LEU 53 - HG3 LYS 95 far 0 88 0 - 9.9-14.4 QG1 VAL 133 - HG3 LYS 95 far 0 59 0 - 9.9-14.2 Violated in 20 structures by 2.17 A. Peak 11447 from aliabs.peaks (3.20, 1.94, 32.11 ppm; 4.90 A): 2 out of 8 assignments used, quality = 1.00: HB3 CYS 125 + HB2 LYS 95 OK 99 100 100 100 2.8-5.7 11658=50, 1.8/11652=44...(24) HB3 CYS 125 + HB3 LYS 95 OK 99 99 100 100 3.3-5.8 11658=50, 1.8/11652=44...(24) HD3 ARG 135 - HB3 PRO 81 poor 6 24 25 - 5.6-10.7 HD2 ARG 84 - HB3 PRO 81 far 2 42 5 - 5.2-13.3 HD3 ARG 84 - HB3 PRO 81 far 2 42 5 - 6.1-11.7 HB2 HIS 5 - HB3 PRO 81 far 1 26 5 - 5.4-66.2 HB3 HIS 4 - HB3 PRO 81 far 0 26 0 - 8.8-71.8 HB3 PHE 87 - HB3 PRO 81 far 0 24 0 - 9.8-12.9 Violated in 1 structures by 0.01 A. Peak 11448 from aliabs.peaks (3.19, 1.39, 25.38 ppm; 5.79 A): 2 out of 5 assignments used, quality = 0.99: HB3 CYS 125 + HG2 LYS 95 OK 90 96 95 99 3.4-7.7 11597/3.0=43...(20) HB3 CYS 125 + HG3 LYS 95 OK 86 97 90 99 3.4-8.0 11597/3.0=43...(19) HD3 ARG 90 - HG2 LYS 95 far 0 64 0 - 9.1-13.9 HD2 ARG 90 - HG2 LYS 95 far 0 72 0 - 9.7-13.8 HD3 ARG 90 - HG3 LYS 95 far 0 65 0 - 9.9-14.2 Violated in 4 structures by 0.11 A. Peak 11449 from aliabs.peaks (3.18, 1.66, 28.97 ppm; 4.52 A): 1 out of 50 assignments used, quality = 0.27: HB3 CYS 125 + HD2 LYS 95 OK 27 73 40 92 5.0-9.4 ~11651=34, 1.8/11651=26...(15) HB3 CYS 125 - HD3 LYS 95 poor 19 76 25 - 4.4-8.3 HD2 ARG 23 - HD2 LYS 26 poor 18 89 20 - 3.6-15.2 HD3 ARG 23 - HD2 LYS 26 poor 17 84 20 - 4.0-15.8 HD2 ARG 23 - HD3 LYS 26 poor 14 88 25 62 4.1-15.3 10729/2.9=55, ~11618=4...(7) HD3 ARG 23 - HD3 LYS 26 poor 11 82 25 53 3.5-15.8 ~10729=45, ~11618=4...(6) HB2 HIS 10 - HD2 LYS 19 far 10 64 15 - 4.3-21.2 HB2 HIS 10 - HD3 LYS 19 far 9 60 15 - 3.1-21.3 HD3 ARG 23 - HD3 LYS 31 far 8 83 10 - 5.4-20.3 HD2 ARG 23 - HD3 LYS 31 far 4 89 5 - 4.2-20.5 HD2 ARG 23 - HD2 LYS 31 far 4 87 5 - 5.0-19.7 HB3 HIS 3 - HD3 LYS 31 far 4 87 5 - 6.0-53.3 HD3 ARG 23 - HD3 LYS 36 far 3 69 5 - 5.4-24.3 HD3 ARG 23 - HD2 LYS 19 far 2 50 5 - 5.3-16.5 HB2 HIS 8 - HD3 LYS 19 far 2 33 5 - 5.8-26.1 HD3 ARG 23 - HD2 LYS 31 far 0 82 0 - 6.1-19.4 HD2 ARG 23 - HD3 LYS 36 far 0 74 0 - 6.3-24.7 HD3 ARG 23 - HD3 LYS 19 far 0 46 0 - 6.3-15.4 HD2 ARG 23 - HD2 LYS 19 far 0 54 0 - 6.4-16.4 HB2 HIS 10 - HD2 LYS 24 far 0 85 0 - 6.4-27.4 HD3 ARG 23 - HD3 LYS 24 far 0 65 0 - 6.6-12.1 HD3 ARG 23 - HD2 LYS 36 far 0 68 0 - 6.6-23.4 HB2 HIS 8 - HD2 LYS 19 far 0 36 0 - 6.7-25.7 HD2 ARG 23 - HD2 LYS 36 far 0 74 0 - 6.8-24.7 HB2 HIS 10 - HD3 LYS 24 far 0 81 0 - 7.0-28.3 HD2 ARG 23 - HD2 LYS 24 far 0 74 0 - 7.2-11.5 HD2 ARG 23 - HD3 LYS 24 far 0 70 0 - 7.2-11.8 HB3 HIS 3 - HD2 LYS 31 far 0 85 0 - 7.3-52.0 HD2 ARG 23 - HD3 LYS 19 far 0 50 0 - 7.6-15.2 HD3 ARG 23 - HD2 LYS 24 far 0 69 0 - 7.6-11.2 HB2 HIS 6 - HD2 LYS 24 far 0 65 0 - 8.1-33.8 HB2 HIS 8 - HD2 LYS 24 far 0 51 0 - 8.2-34.1 HB2 HIS 6 - HD2 LYS 31 far 0 77 0 - 8.2-43.7 HD3 ARG 90 - HD3 LYS 95 far 0 92 0 - 8.3-12.1 HD3 ARG 90 - HD2 LYS 95 far 0 89 0 - 8.3-12.9 HD2 ARG 90 - HD2 LYS 95 far 0 93 0 - 8.5-13.3 HB2 HIS 6 - HD3 LYS 31 far 0 79 0 - 8.7-45.2 HB2 HIS 10 - HD2 LYS 26 far 0 98 0 - 8.7-30.5 HD2 ARG 90 - HD3 LYS 95 far 0 96 0 - 8.9-12.4 HB2 HIS 8 - HD3 LYS 24 far 0 48 0 - 9.0-35.0 HB3 CYS 125 - HD3 LYS 24 far 0 57 0 - 9.3-31.1 HB3 HIS 3 - HD2 LYS 36 far 0 72 0 - 9.4-55.2 HB2 HIS 10 - HD3 LYS 26 far 0 98 0 - 9.5-31.7 HB3 CYS 125 - HD2 LYS 24 far 0 60 0 - 9.6-32.1 HB3 HIS 3 - HD3 LYS 36 far 0 72 0 - 9.7-55.8 HB3 HIS 3 - HD2 LYS 26 far 0 87 0 - 9.7-51.1 HB2 HIS 6 - HD3 LYS 24 far 0 61 0 - 9.7-34.1 HB2 HIS 6 - HD2 LYS 19 far 0 47 0 - 9.9-30.4 HB2 HIS 8 - HD3 LYS 26 far 0 63 0 - 10.0-36.9 HB3 HIS 3 - HD3 LYS 26 far 0 86 0 - 10.0-52.2 Violated in 20 structures by 2.23 A. Peak 11450 from aliabs.peaks (3.25, 1.40, 27.00 ppm; 6.14 A): 1 out of 1 assignment used, quality = 0.97: HA VAL 93 + HG LEU 96 OK 97 97 100 100 1.7-4.7 11691/2.1=95...(43) Violated in 0 structures by 0.00 A. Peak 11451 from aliabs.peaks (3.77, 0.77, 23.66 ppm; 4.06 A): 1 out of 6 assignments used, quality = 1.00: HA GLU 97 + QD1 LEU 96 OK 100 100 100 100 2.0-4.9 11809/2.1=69...(41) HB2 SER 99 - QD1 LEU 96 far 0 99 0 - 5.6-7.8 HA SER 130 - QD1 LEU 96 far 0 99 0 - 6.7-9.8 HB3 SER 130 - QD1 LEU 96 far 0 100 0 - 7.5-10.5 HA LEU 43 - QD1 LEU 96 far 0 97 0 - 8.1-11.1 HA VAL 133 - QD1 LEU 96 far 0 100 0 - 9.4-12.6 Violated in 11 structures by 0.37 A. Peak 11452 from aliabs.peaks (3.42, 0.77, 23.66 ppm; 4.68 A): 1 out of 5 assignments used, quality = 0.96: HA VAL 126 + QD1 LEU 96 OK 96 97 100 100 1.9-4.9 11807/2.1=75...(33) HA ILE 129 - QD1 LEU 96 poor 20 57 40 86 5.6-8.4 ~9714=16, ~7871=11...(23) HB3 HIS 67 - QD1 LEU 96 far 4 89 5 - 6.0-8.6 HA VAL 77 - QD1 LEU 96 far 0 68 0 - 7.8-11.3 HA LYS 39 - QD1 LEU 96 far 0 68 0 - 9.6-12.6 Violated in 1 structures by 0.01 A. Peak 11453 from aliabs.peaks (2.11, 0.77, 23.66 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.99: HB VAL 126 + QD1 LEU 96 OK 97 100 100 97 1.9-5.3 3.0/11452=47, ~11807=37...(20) HB2 GLU 97 + QD1 LEU 96 OK 81 81 100 100 2.1-5.2 3.0/11451=68...(39) HG3 GLU 91 - QD1 LEU 96 far 0 81 0 - 7.3-10.4 Violated in 0 structures by 0.00 A. Peak 11454 from aliabs.peaks (0.65, 2.24, 40.82 ppm; 5.30 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 129 + HB3 LEU 96 OK 100 100 100 100 1.9-4.6 9982/3.8=72...(44) QD2 LEU 100 + HB3 LEU 96 OK 27 60 45 99 4.6-8.6 ~11918=53, ~11826=25...(36) QD2 LEU 62 - HB3 LEU 96 far 0 65 0 - 6.9-9.7 QD1 LEU 42 - HB3 LEU 96 far 0 90 0 - 7.1-10.9 Violated in 0 structures by 0.00 A. Peak 11455 from aliabs.peaks (8.27, 3.76, 59.92 ppm; 5.47 A): 2 out of 6 assignments used, quality = 1.00: H LEU 96 + HA GLU 97 OK 99 99 100 100 5.0-5.4 7330/2.8=97...(18) H SER 99 + HA GLU 97 OK 73 73 100 99 3.7-5.2 7375/3.6=55, 3.4/3114=43...(26) H VAL 126 - HA GLU 97 far 10 96 10 - 6.7-8.9 H ALA 29 - HA GLU 97 far 4 85 5 - 6.7-20.5 H LEU 123 - HA GLU 97 far 0 100 0 - 7.8-9.8 H GLU 30 - HA GLU 97 far 0 100 0 - 9.6-20.3 Violated in 0 structures by 0.00 A. Peak 11456 from aliabs.peaks (4.23, 2.40, 35.20 ppm; 4.68 A): 3 out of 10 assignments used, quality = 0.94: HA SER 94 + HG3 GLU 97 OK 78 98 80 100 1.7-6.5 11457/1.8=93...(12) HB3 SER 38 + HG3 GLU 40 OK 60 73 95 86 3.0-8.6 9046/3.0=49...(5) HA HIS 67 + HG3 GLU 97 OK 36 78 55 84 4.3-9.7 11089/9486=56...(5) HA ALA 28 - HG3 GLU 97 far 5 92 5 - 5.6-25.3 HA GLN 27 - HG3 GLU 97 far 0 87 0 - 6.2-25.5 HA SER 99 - HG3 GLU 97 far 0 100 0 - 7.0-9.4 HA GLU 30 - HG3 GLU 97 far 0 93 0 - 7.5-22.4 HA ALA 29 - HG3 GLU 97 far 0 100 0 - 7.8-21.4 HA GLN 27 - HG3 GLU 40 far 0 66 0 - 8.6-24.7 HA ALA 34 - HG3 GLU 40 far 0 71 0 - 9.0-12.3 Violated in 2 structures by 0.02 A. Peak 11457 from aliabs.peaks (4.23, 2.24, 35.20 ppm; 3.86 A): 1 out of 7 assignments used, quality = 0.71: HA SER 94 + HG2 GLU 97 OK 71 100 75 95 2.4-6.4 3117/2.9=59...(13) HA ALA 28 - HG2 GLU 97 far 5 98 5 - 4.8-25.1 HA GLN 27 - HG2 GLU 97 far 5 96 5 - 4.4-25.8 HA HIS 67 - HG2 GLU 97 far 0 63 0 - 5.6-9.5 HA ALA 29 - HG2 GLU 97 far 0 99 0 - 6.7-21.4 HA GLU 30 - HG2 GLU 97 far 0 83 0 - 6.8-22.8 HA SER 99 - HG2 GLU 97 far 0 97 0 - 6.9-9.4 Violated in 14 structures by 0.85 A. Peak 11458 from aliabs.peaks (4.26, 3.76, 59.92 ppm; 4.75 A): 1 out of 5 assignments used, quality = 0.20: HA SER 94 + HA GLU 97 OK 20 71 30 95 5.7-7.0 3117/3.0=50, 7334/2.8=48...(12) HA SER 74 - HA GLU 97 far 0 71 0 - 7.2-9.9 HA GLN 27 - HA GLU 97 far 0 90 0 - 7.3-23.8 HA ALA 28 - HA GLU 97 far 0 85 0 - 8.2-22.3 HA ALA 108 - HA GLU 97 far 0 93 0 - 8.4-17.1 Violated in 20 structures by 1.65 A. Peak 11460 from aliabs.peaks (1.41, 2.22, 28.66 ppm; 4.84 A): 2 out of 18 assignments used, quality = 0.97: HG LEU 96 + HB3 GLU 97 OK 89 89 100 100 4.6-6.0 11461/1.8=56, ~11451=51...(47) QB ALA 92 + HB3 GLU 128 OK 73 73 100 100 2.0-5.2 10444/1.8=82...(22) HG2 LYS 26 - HB3 GLU 102 far 4 80 5 - 5.4-29.6 QB ALA 109 - HB3 GLU 102 far 3 56 5 - 6.2-14.0 HG2 LYS 95 - HB3 GLU 128 far 3 51 5 - 5.9-10.4 HG3 LYS 95 - HB3 GLU 128 far 2 45 5 - 5.6-11.6 HG2 LYS 86 - HB2 GLN 82 far 0 48 0 - 7.0-9.2 HG LEU 96 - HB3 GLU 128 far 0 70 0 - 7.9-10.7 HG3 LYS 95 - HB3 GLU 97 far 0 60 0 - 8.1-10.2 HG2 LYS 26 - HB3 GLU 97 far 0 90 0 - 8.2-27.2 HG2 LYS 95 - HB3 GLU 97 far 0 68 0 - 8.5-10.1 HG13 ILE 32 - HB3 GLU 97 far 0 93 0 - 8.5-20.1 QB ALA 92 - HB3 GLU 97 far 0 92 0 - 8.8-10.2 HG3 LYS 31 - HB3 GLU 97 far 0 60 0 - 9.2-24.6 QB ALA 16 - HB3 GLU 102 far 0 66 0 - 9.2-37.4 HG3 LYS 95 - HB3 GLU 102 far 0 51 0 - 9.2-12.5 QB ALA 109 - HB3 GLU 97 far 0 65 0 - 9.7-17.0 HG LEU 96 - HB3 GLU 102 far 0 78 0 - 9.9-12.4 Violated in 1 structures by 0.00 A. Peak 11461 from aliabs.peaks (1.41, 2.13, 28.66 ppm; 4.67 A): 2 out of 13 assignments used, quality = 0.98: HG LEU 96 + HB2 GLU 97 OK 97 97 100 100 3.3-5.0 2.1/11695=58, ~11451=47...(39) HB2 LEU 96 + HB2 GLU 97 OK 44 63 70 100 5.6-6.2 4.4/7345=62...(42) HG2 LYS 95 - HB2 GLU 97 far 0 83 0 - 6.9-10.0 QB ALA 28 - HB2 GLU 97 far 0 73 0 - 6.9-20.7 HG3 LYS 95 - HB2 GLU 97 far 0 76 0 - 7.0-9.7 QB ALA 92 - HB2 GLU 97 far 0 81 0 - 7.4-9.0 HG13 ILE 32 - HB2 GLU 97 far 0 83 0 - 7.7-19.5 QB ALA 108 - HB2 GLU 97 far 0 60 0 - 8.0-16.9 HG3 LYS 31 - HB2 GLU 97 far 0 76 0 - 9.2-24.8 HG2 LYS 26 - HB2 GLU 97 far 0 78 0 - 9.7-27.5 QB ALA 110 - HB2 GLU 97 far 0 68 0 - 9.9-22.1 QB ALA 15 - HB2 GLU 97 far 0 65 0 - 9.9-37.1 QB ALA 34 - HB2 GLU 97 far 0 99 0 - 10.0-20.0 Violated in 1 structures by 0.01 A. Peak 11462 from aliabs.peaks (1.81, 2.22, 28.66 ppm; 4.83 A): 3 out of 17 assignments used, quality = 0.99: HB2 LEU 100 + HB3 GLU 97 OK 93 98 95 100 4.2-6.5 3115/3.0=77, ~10036=39...(38) HB3 LEU 103 + HB3 GLU 102 OK 67 72 100 93 5.0-6.2 3.9/7469=66...(20) HB2 ARG 84 + HB2 GLN 82 OK 41 47 90 96 3.4-6.7 2533/9778=62...(13) HB2 LYS 86 - HB2 GLN 82 poor 17 35 65 77 5.3-7.4 ~11305=29, 7091/9778=28...(10) HB3 ARG 135 - HB2 GLN 82 poor 10 47 70 31 2.3-9.7 9799/9797=16...(4) HB3 LYS 26 - HB3 GLU 102 far 5 93 5 - 5.5-28.8 HB3 LEU 122 - HB3 GLU 97 far 4 76 5 - 6.3-9.0 HB VAL 93 - HB3 GLU 97 far 0 92 0 - 6.5-9.5 HB2 LEU 100 - HB3 GLU 102 far 0 89 0 - 6.7-8.6 HB3 LEU 122 - HB3 GLU 102 far 0 66 0 - 7.3-12.2 HB3 ARG 23 - HB3 GLU 102 far 0 92 0 - 7.3-35.3 HB3 LEU 103 - HB3 GLU 97 far 0 83 0 - 7.3-10.7 HB VAL 93 - HB3 GLU 128 far 0 73 0 - 8.3-11.5 HB3 LYS 26 - HB3 GLU 97 far 0 100 0 - 8.3-25.3 HB3 ARG 23 - HB3 GLU 97 far 0 100 0 - 8.5-30.7 HB3 LEU 122 - HB3 GLU 128 far 0 58 0 - 9.6-11.8 HB3 LYS 24 - HB3 GLU 102 far 0 93 0 - 9.8-33.6 Violated in 0 structures by 0.00 A. Peak 11463 from aliabs.peaks (2.72, 2.22, 28.66 ppm; 4.82 A): 2 out of 6 assignments used, quality = 0.77: HB2 CYS 125 + HB3 GLU 128 OK 71 74 95 100 4.7-7.2 ~3986=58, ~4087=54...(27) HB2 ASN 85 + HB2 GLN 82 OK 22 25 90 100 4.3-6.9 1.8/11464=75...(16) HB2 CYS 73 - HB3 GLU 97 far 0 78 0 - 7.3-11.3 HB2 CYS 73 - HB3 GLU 128 far 0 60 0 - 8.2-11.1 HB2 CYS 125 - HB3 GLU 97 far 0 93 0 - 8.2-9.5 HB2 ASN 85 - HB3 GLU 128 far 0 49 0 - 9.6-11.8 Violated in 5 structures by 0.07 A. Peak 11464 from aliabs.peaks (2.83, 2.22, 28.66 ppm; 5.00 A): 1 out of 8 assignments used, quality = 0.45: HB3 ASN 85 + HB2 GLN 82 OK 45 45 100 100 2.8-6.2 3.5/9797=54...(17) HB2 ASN 116 - HB3 GLU 102 far 0 68 0 - 7.8-13.3 HB3 ASP 71 - HB3 GLU 97 far 0 83 0 - 7.9-10.5 HB2 ASN 121 - HB3 GLU 102 far 0 51 0 - 8.5-11.4 HB2 ASN 121 - HB3 GLU 128 far 0 45 0 - 8.6-12.4 HB3 ASN 120 - HB3 GLU 128 far 0 51 0 - 9.0-14.8 HB2 ASN 121 - HB3 GLU 97 far 0 60 0 - 9.1-12.7 HB3 ASN 85 - HB3 GLU 128 far 0 82 0 - 9.8-13.1 Violated in 6 structures by 0.21 A. Peak 11465 from aliabs.peaks (1.21, 4.11, 57.89 ppm; 6.52 A): 3 out of 5 assignments used, quality = 0.97: QG2 THR 65 + HA LEU 48 OK 85 85 100 100 3.9-7.5 9204/3.7=90, 9202/3.0=86...(18) QG2 THR 65 + HA LEU 49 OK 75 75 100 100 2.0-4.7 10966/4.1=96...(27) QG2 THR 54 + HA LEU 49 OK 21 45 85 55 6.1-9.6 9250/6656=25...(8) QG2 THR 54 - HA LEU 48 poor 5 52 45 21 7.1-11.3 9212/6615=7, 9233/6644=7 QG2 THR 65 - HA GLN 104 far 5 46 10 - 7.8-13.0 Violated in 0 structures by 0.00 A. Peak 11466 from aliabs.peaks (1.19, 1.78, 41.87 ppm; 4.95 A): 0 out of 4 assignments used, quality = 0.00: QG2 THR 25 - HB2 LEU 48 far 4 82 5 - 2.0-24.4 QB ALA 41 - HB2 LEU 48 far 0 81 0 - 7.5-9.8 QG2 THR 18 - HB2 LEU 48 far 0 61 0 - 7.5-30.1 QG2 THR 25 - HB3 LEU 98 far 0 97 0 - 8.4-25.0 Violated in 19 structures by 2.70 A. Peak 11467 from aliabs.peaks (1.22, 1.71, 26.70 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.82: QG2 THR 65 + HG LEU 48 OK 82 96 85 100 2.7-7.2 9441=90, 10957/2.1=74...(17) QG2 THR 54 - HG LEU 48 far 0 74 0 - 8.4-14.1 Violated in 6 structures by 0.41 A. Peak 11468 from aliabs.peaks (4.02, 1.71, 26.70 ppm; 3.87 A): 1 out of 11 assignments used, quality = 0.99: HA LYS 95 + HG LEU 98 OK 99 100 100 99 1.8-4.3 11470/2.1=65...(21) HB3 SER 99 - HG LEU 98 far 4 78 5 - 5.0-8.0 HA VAL 20 - HG LEU 48 far 3 56 5 - 3.8-28.6 HA GLU 44 - HG LEU 48 far 0 74 0 - 5.9-8.0 HA LEU 122 - HG LEU 98 far 0 83 0 - 6.8-9.9 HA SER 50 - HG LEU 48 far 0 72 0 - 6.9-9.6 HA ILE 37 - HG LEU 48 far 0 98 0 - 7.7-14.4 HA GLU 102 - HG LEU 98 far 0 60 0 - 8.5-10.1 HA LEU 119 - HG LEU 98 far 0 99 0 - 8.9-14.3 HA GLN 68 - HG LEU 48 far 0 84 0 - 9.3-13.9 HA LEU 103 - HG LEU 98 far 0 100 0 - 9.7-12.4 Violated in 1 structures by 0.02 A. Peak 11469 from aliabs.peaks (4.02, 0.86, 23.69 ppm; 3.94 A): 2 out of 8 assignments used, quality = 0.99: HA LYS 95 + QD1 LEU 98 OK 98 99 100 100 1.8-4.3 11468/2.1=71...(25) HB3 SER 99 + QD1 LEU 98 OK 26 85 35 88 3.5-7.5 3.7/3191=42, ~11478=19...(11) HA LEU 122 - QD1 LEU 98 far 0 76 0 - 5.7-9.5 HA LEU 103 - QD1 LEU 98 far 0 100 0 - 6.3-10.7 HA LEU 119 - QD1 LEU 98 far 0 98 0 - 6.8-13.1 HB2 SER 124 - QD1 LEU 98 far 0 65 0 - 8.6-12.1 HB3 SER 124 - QD1 LEU 98 far 0 100 0 - 8.7-12.7 HA VAL 20 - QD1 LEU 98 far 0 68 0 - 9.3-35.5 Violated in 1 structures by 0.00 A. Peak 11470 from aliabs.peaks (4.02, 0.88, 24.09 ppm; 3.22 A): 1 out of 15 assignments used, quality = 0.96: HA LYS 95 + QD2 LEU 98 OK 96 100 100 96 1.6-4.6 11468/2.1=48...(21) HB3 SER 99 - QD2 LEU 98 poor 16 71 35 65 2.1-7.1 1.8/11478=17...(10) HA GLU 44 - QD2 LEU 48 poor 8 57 45 32 3.1-7.7 6575/5.0=17, 4.8/9164=6...(6) HA LEU 122 - QD2 LEU 98 lone 4 89 25 17 3.8-8.4 3208/11478=5...(5) HA LEU 119 - QD2 LEU 98 far 0 100 0 - 5.8-12.4 HA SER 50 - QD2 LEU 48 far 0 44 0 - 5.9-7.4 HA GLU 102 - QD2 LEU 98 far 0 68 0 - 6.2-7.3 HB3 SER 124 - QD2 LEU 98 far 0 97 0 - 6.9-12.6 HA ILE 37 - QD2 LEU 48 far 0 75 0 - 6.9-13.6 HA LEU 103 - QD2 LEU 98 far 0 99 0 - 7.0-9.9 HA GLN 68 - QD2 LEU 48 far 0 55 0 - 7.6-11.5 HA LEU 119 - QD2 LEU 48 far 0 75 0 - 8.0-13.8 HA SER 60 - QD2 LEU 48 far 0 67 0 - 8.3-15.1 HA LEU 122 - QD2 LEU 48 far 0 61 0 - 9.6-13.8 HB2 SER 38 - QD2 LEU 48 far 0 57 0 - 9.6-15.1 Violated in 12 structures by 0.26 A. Peak 11471 from aliabs.peaks (1.76, 3.76, 63.23 ppm; 4.54 A): 2 out of 5 assignments used, quality = 0.88: HB3 LEU 98 + HB2 SER 99 OK 73 81 95 96 3.7-6.9 10023/3.0=46...(18) HB3 LEU 122 + HB2 SER 99 OK 56 63 90 100 2.1-6.6 3.1/11479=40...(37) HG LEU 100 - HB2 SER 99 far 0 97 0 - 6.3-8.2 HB2 LYS 24 - HB2 SER 99 far 0 87 0 - 8.9-31.9 HB2 ARG 23 - HB2 SER 99 far 0 97 0 - 9.6-35.1 Violated in 2 structures by 0.08 A. Peak 11472 from aliabs.peaks (1.77, 4.00, 63.23 ppm; 4.68 A): 3 out of 5 assignments used, quality = 0.99: HB3 LEU 122 + HB3 SER 99 OK 86 90 95 100 1.8-7.0 3.1/11378=45...(30) HB3 LEU 98 + HB3 SER 99 OK 75 98 80 96 3.9-6.9 10023/3.0=43...(16) HB3 LEU 103 + HB3 SER 99 OK 67 85 90 88 4.7-6.9 1.8/3372=30, ~11481=18...(21) HG LEU 100 - HB3 SER 99 poor 20 100 20 - 5.5-7.2 HB2 ARG 23 - HB3 SER 99 far 0 78 0 - 9.7-34.1 Violated in 2 structures by 0.03 A. Peak 11473 from aliabs.peaks (1.61, 4.00, 63.23 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 122 + HB3 SER 99 OK 100 100 100 100 1.8-5.4 3.1/11378=47...(29) HG LEU 122 + HB3 SER 99 OK 94 99 95 100 3.0-7.4 2.1/11378=55...(27) HG LEU 119 - HB3 SER 99 far 0 98 0 - 6.8-9.7 HG LEU 70 - HB3 SER 99 far 0 100 0 - 7.5-10.4 Violated in 1 structures by 0.02 A. Peak 11474 from aliabs.peaks (2.22, 4.00, 63.23 ppm; 6.50 A): 3 out of 7 assignments used, quality = 0.99: HB3 GLU 102 + HB3 SER 99 OK 96 96 100 100 6.0-7.8 3207/3.0=94, ~3332=88...(18) HB3 GLU 97 + HB3 SER 99 OK 64 100 95 67 6.4-9.2 3126/4.5=32, 4.7/7353=25...(9) HB3 LEU 96 + HB3 SER 99 OK 62 68 95 96 5.8-8.0 3.0/3214=47, ~3208=38...(15) HG2 GLU 97 - HB3 SER 99 poor 11 68 40 39 6.5-9.3 4.6/3219=18...(4) HB2 GLN 101 - HB3 SER 99 poor 11 97 25 45 6.8-8.9 10027/7395=23...(4) HB3 GLN 104 - HB3 SER 99 far 10 99 10 - 7.8-11.7 HB2 GLN 104 - HB3 SER 99 far 0 63 0 - 8.1-10.4 Violated in 0 structures by 0.00 A. Peak 11475 from aliabs.peaks (0.91, 4.00, 63.23 ppm; 4.07 A): 1 out of 6 assignments used, quality = 0.78: QG1 VAL 118 + HB3 SER 99 OK 78 81 100 96 1.8-4.4 11599/3.0=44...(24) QD1 LEU 62 - HB3 SER 99 far 5 100 5 - 5.5-8.3 QD1 LEU 119 - HB3 SER 99 far 4 73 5 - 3.9-9.6 QG2 VAL 63 - HB3 SER 99 far 0 100 0 - 6.8-8.6 QD1 LEU 123 - HB3 SER 99 far 0 97 0 - 7.8-10.6 QD1 LEU 49 - HB3 SER 99 far 0 100 0 - 8.0-10.8 Violated in 1 structures by 0.02 A. Peak 11476 from aliabs.peaks (0.79, 4.00, 63.23 ppm; 3.62 A): 2 out of 9 assignments used, quality = 0.98: QD2 LEU 122 + HB3 SER 99 OK 93 99 95 99 3.1-5.1 2.1/11702=37...(26) QD1 LEU 122 + HB3 SER 99 OK 78 93 85 98 3.6-6.9 11702=49, 11479/1.8=36...(27) QD1 LEU 96 - HB3 SER 99 far 4 85 5 - 4.8-8.1 QD1 LEU 70 - HB3 SER 99 far 0 83 0 - 5.2-8.4 QD1 LEU 103 - HB3 SER 99 far 0 97 0 - 5.3-8.2 QD1 LEU 53 - HB3 SER 99 far 0 100 0 - 5.5-11.2 QD2 LEU 119 - HB3 SER 99 far 0 100 0 - 5.9-9.5 QG1 VAL 63 - HB3 SER 99 far 0 97 0 - 7.3-9.4 QD2 LEU 49 - HB3 SER 99 far 0 100 0 - 7.9-10.8 Violated in 12 structures by 0.23 A. Peak 11477 from aliabs.peaks (1.37, 3.76, 63.23 ppm; 5.30 A): 2 out of 10 assignments used, quality = 1.00: HB3 LEU 100 + HB2 SER 99 OK 99 100 100 99 3.9-6.2 7398/4.5=72, 3240=50...(22) HB2 LEU 96 + HB2 SER 99 OK 64 96 70 96 4.9-7.4 3.0/3208=38, ~3214=29...(22) HG3 LYS 95 - HB2 SER 99 poor 18 89 55 36 5.4-8.5 3.9/3208=13, 3009/3.7=8...(9) HG LEU 96 - HB2 SER 99 poor 15 60 25 - 5.8-8.3 QB ALA 110 - HB2 SER 99 far 9 93 10 - 3.7-18.3 HG2 LYS 95 - HB2 SER 99 poor 8 83 30 32 5.9-8.3 3.9/3208=13, 3009/3.7=8...(8) QB ALA 109 - HB2 SER 99 far 4 85 5 - 5.7-16.0 QB ALA 108 - HB2 SER 99 lone 0 97 30 2 4.1-15.3 HG2 LYS 24 - HB2 SER 99 far 0 99 0 - 7.1-33.6 QB ALA 21 - HB2 SER 99 far 0 78 0 - 8.3-33.6 Violated in 3 structures by 0.05 A. Peak 11478 from aliabs.peaks (0.89, 3.76, 63.23 ppm; 4.44 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 118 + HB2 SER 99 OK 99 100 100 99 1.7-4.6 11599/3.0=70, ~10271=43...(22) QD2 LEU 98 + HB2 SER 99 OK 84 99 90 94 1.7-6.8 3.1/11471=34...(21) QD1 LEU 62 - HB2 SER 99 far 0 73 0 - 6.2-9.6 QD2 LEU 123 - HB2 SER 99 far 0 99 0 - 6.7-9.3 QG2 VAL 63 - HB2 SER 99 far 0 81 0 - 6.8-9.5 QD1 LEU 49 - HB2 SER 99 far 0 76 0 - 8.3-10.8 QD2 LEU 69 - HB2 SER 99 far 0 76 0 - 8.3-12.3 Violated in 0 structures by 0.00 A. Peak 11479 from aliabs.peaks (0.80, 3.76, 63.23 ppm; 3.63 A): 2 out of 9 assignments used, quality = 0.76: QD1 LEU 122 + HB2 SER 99 OK 54 100 55 98 3.8-6.7 11702/1.8=40, 11091=33...(39) QD2 LEU 122 + HB2 SER 99 OK 49 90 55 98 3.7-6.0 11476/1.8=38, ~11702=24...(38) QD2 LEU 119 - HB2 SER 99 far 5 95 5 - 4.4-9.9 QD1 LEU 70 - HB2 SER 99 far 0 97 0 - 5.3-9.3 QD1 LEU 53 - HB2 SER 99 far 0 98 0 - 5.5-11.6 QD1 LEU 96 - HB2 SER 99 far 0 60 0 - 5.6-7.8 QD1 LEU 103 - HB2 SER 99 far 0 81 0 - 6.0-8.3 QG1 VAL 63 - HB2 SER 99 far 0 83 0 - 8.4-10.5 QD2 LEU 49 - HB2 SER 99 far 0 100 0 - 8.6-11.2 Violated in 19 structures by 0.79 A. Peak 11480 from aliabs.peaks (1.64, 4.22, 62.42 ppm; 4.76 A): 2 out of 11 assignments used, quality = 0.99: HB2 LEU 98 + HA SER 99 OK 98 98 100 100 4.1-5.3 3166/2.9=72...(39) HB2 LEU 122 + HA SER 99 OK 56 63 90 100 4.5-7.1 3.1/11481=32...(56) HG LEU 119 - HA SER 99 far 5 92 5 - 5.7-10.9 HD3 LYS 24 - HA SER 99 far 0 90 0 - 6.9-35.7 HD3 LYS 95 - HA SER 99 far 0 78 0 - 7.9-10.9 HD2 LYS 24 - HA SER 99 far 0 73 0 - 8.0-36.8 HD2 LYS 95 - HA SER 99 far 0 89 0 - 8.4-11.1 HB2 LEU 123 - HA SER 99 far 0 96 0 - 8.4-12.3 HG LEU 70 - HA SER 99 far 0 71 0 - 8.4-10.5 HG3 ARG 23 - HA SER 99 far 0 89 0 - 9.0-37.8 HG LEU 62 - HA SER 99 far 0 99 0 - 9.4-14.1 Violated in 1 structures by 0.01 A. Peak 11481 from aliabs.peaks (0.78, 4.22, 62.42 ppm; 4.51 A): 2 out of 9 assignments used, quality = 0.60: QD1 LEU 103 + HA SER 99 OK 38 100 40 96 5.4-6.8 10068/7443=49...(23) QD2 LEU 122 + HA SER 99 OK 35 100 35 100 5.0-7.3 11378/3.0=44...(46) QD1 LEU 122 - HA SER 99 poor 15 76 20 - 5.0-8.1 QD2 LEU 119 - HA SER 99 far 5 99 5 - 5.2-10.2 QD1 LEU 96 - HA SER 99 far 0 97 0 - 6.3-9.2 QD1 LEU 70 - HA SER 99 far 0 60 0 - 6.4-9.4 QD1 LEU 53 - HA SER 99 far 0 97 0 - 7.6-13.4 QG1 VAL 63 - HA SER 99 far 0 100 0 - 8.1-10.1 QD2 LEU 49 - HA SER 99 far 0 93 0 - 9.9-12.7 Violated in 20 structures by 0.96 A. Peak 11482 from aliabs.peaks (0.90, 4.22, 62.42 ppm; 4.36 A): 2 out of 9 assignments used, quality = 1.00: QG1 VAL 118 + HA SER 99 OK 99 100 100 100 2.4-5.0 11599=89, 2.1/10271=56...(17) QD2 LEU 98 + HA SER 99 OK 90 90 100 100 2.5-5.8 3.1/10023=41, ~3191=39...(40) QD1 LEU 62 - HA SER 99 far 0 92 0 - 7.1-10.3 QG2 VAL 63 - HA SER 99 far 0 96 0 - 7.4-9.0 QD2 LEU 123 - HA SER 99 far 0 90 0 - 7.9-11.1 QG2 VAL 20 - HA SER 99 far 0 100 0 - 8.5-33.1 QG1 VAL 20 - HA SER 99 far 0 97 0 - 9.7-35.7 QG2 VAL 112 - HA SER 99 far 0 71 0 - 9.9-17.4 QD1 LEU 123 - HA SER 99 far 0 65 0 - 9.9-12.2 Violated in 3 structures by 0.03 A. Peak 11483 from aliabs.peaks (8.28, 0.68, 23.45 ppm; 4.53 A): 2 out of 14 assignments used, quality = 0.77: H LEU 123 + QD2 LEU 62 OK 63 75 85 98 2.3-6.5 10956/2.1=49...(27) H LEU 123 + QD2 LEU 100 OK 37 96 55 70 5.0-8.0 4.3/3261=18...(14) H SER 99 - QD2 LEU 100 poor 19 96 20 - 4.1-6.4 H LEU 49 - QD2 LEU 62 poor 19 60 35 89 3.9-7.7 9247/9232=56...(12) H LEU 96 - QD2 LEU 100 far 5 100 5 - 5.5-8.8 H LEU 69 - QD2 LEU 100 far 4 85 5 - 6.0-7.3 H VAL 126 - QD2 LEU 62 far 4 83 5 - 5.8-8.8 H LEU 69 - QD2 LEU 62 far 0 64 0 - 6.3-7.5 H VAL 126 - QD2 LEU 100 far 0 100 0 - 6.6-8.5 H LEU 49 - QD2 LEU 100 far 0 81 0 - 7.0-13.1 H GLU 30 - QD2 LEU 100 far 0 96 0 - 7.6-14.8 H SER 99 - QD2 LEU 62 far 0 75 0 - 7.9-10.5 H LEU 96 - QD2 LEU 62 far 0 82 0 - 9.0-11.0 H GLU 30 - QD2 LEU 62 far 0 75 0 - 9.0-14.7 Violated in 10 structures by 0.24 A. Peak 11484 from aliabs.peaks (8.56, 0.68, 23.45 ppm; 4.72 A): 0 out of 2 assignments used, quality = 0.00: H ALA 46 - QD2 LEU 62 far 0 41 0 - 8.0-10.2 H ALA 46 - QD2 LEU 100 far 0 57 0 - 9.7-12.9 Violated in 20 structures by 4.02 A. Peak 11485 from aliabs.peaks (7.16, 0.68, 23.45 ppm; 4.21 A): 1 out of 4 assignments used, quality = 0.67: HD2 HIS 67 + QD2 LEU 100 OK 67 100 70 95 2.5-6.6 10044/2.1=71...(9) HD2 HIS 67 - QD2 LEU 62 far 0 83 0 - 6.7-9.4 QD TYR 72 - QD2 LEU 100 far 0 71 0 - 8.5-10.0 QD TYR 72 - QD2 LEU 62 far 0 52 0 - 9.1-10.6 Violated in 14 structures by 0.86 A. Peak 11488 from aliabs.peaks (4.07, 0.60, 25.59 ppm; 4.42 A): 2 out of 8 assignments used, quality = 0.60: HA GLN 104 + QD1 LEU 100 OK 46 78 70 84 3.5-7.8 10979/10973=32...(12) HA LEU 96 + QD1 LEU 100 OK 27 95 30 94 4.8-6.8 3.7/11918=49...(28) HA GLU 102 - QD1 LEU 100 poor 17 87 55 35 5.5-7.8 ~11006=10, ~11410=10...(8) HA LEU 122 - QD1 LEU 100 poor 16 65 25 - 3.8-7.3 HB THR 65 - QD1 LEU 100 far 5 100 5 - 5.6-8.8 HB2 SER 74 - QD1 LEU 100 far 0 97 0 - 6.8-9.2 HB3 SER 74 - QD1 LEU 100 far 0 99 0 - 7.3-9.6 HA ALA 92 - QD1 LEU 100 far 0 96 0 - 9.1-11.6 Violated in 14 structures by 0.52 A. Peak 11489 from aliabs.peaks (0.79, 3.96, 57.71 ppm; 3.42 A): 5 out of 10 assignments used, quality = 0.99: QD2 LEU 122 + HA LEU 100 OK 79 99 85 94 2.3-5.3 10337/3.0=23...(36) QD1 LEU 103 + HA LEU 100 OK 73 96 85 90 3.0-5.3 7476/7463=24...(30) QD1 LEU 122 + HA LEU 100 OK 71 95 85 88 3.6-5.2 10026/2.9=15, ~10337=12...(34) QD1 LEU 70 + HA LEU 100 OK 42 85 60 83 4.1-7.3 9487/3266=26...(25) QG1 VAL 63 + HA LEU 100 OK 21 97 25 85 4.2-6.2 10974/3258=36...(18) QD1 LEU 96 - HA LEU 100 far 4 83 5 - 4.4-8.3 QD1 LEU 53 - HA LEU 100 far 0 100 0 - 5.5-12.3 QD2 LEU 119 - HA LEU 100 far 0 100 0 - 6.3-8.2 QD2 LEU 49 - HA LEU 100 far 0 100 0 - 6.9-10.3 QD1 ILE 32 - HA LEU 100 far 0 71 0 - 8.5-14.4 Violated in 3 structures by 0.03 A. Peak 11490 from aliabs.peaks (0.78, 1.77, 26.16 ppm; 3.87 A): 5 out of 11 assignments used, quality = 1.00: QD2 LEU 122 + HG LEU 100 OK 99 100 100 99 2.0-5.3 11388/2.1=34, 3903=34...(52) QG1 VAL 63 + HG LEU 100 OK 89 100 90 99 3.0-5.4 10973/2.1=70...(26) QD1 LEU 122 + HG LEU 100 OK 74 78 95 99 1.8-5.6 2.1/3903=27, ~11388=20...(46) QD1 LEU 70 + HG LEU 100 OK 58 63 95 98 2.0-5.5 ~11115=46, ~11107=36...(35) QD1 LEU 96 + HG LEU 100 OK 31 97 35 92 2.9-7.2 ~11918=33...(31) QD1 LEU 53 - HG LEU 100 poor 20 98 20 - 4.6-11.3 QD1 LEU 103 - HG LEU 100 far 15 100 15 - 2.4-7.5 QD2 LEU 49 - HG LEU 100 lone 5 95 35 14 4.2-9.4 11614/11678=5...(4) QD2 LEU 119 - HG LEU 100 far 0 100 0 - 6.1-10.6 QD1 ILE 32 - HG LEU 100 far 0 90 0 - 6.5-13.0 QD1 ILE 37 - HG LEU 100 far 0 90 0 - 8.6-14.2 Violated in 0 structures by 0.00 A. Peak 11491 from aliabs.peaks (0.77, 0.68, 23.45 ppm; 2.93 A): 6 out of 24 assignments used, quality = 1.00: QG1 VAL 63 + QD2 LEU 100 OK 83 97 90 95 1.8-5.1 10974=41, 10973/2.1=38...(28) QD2 LEU 122 + QD2 LEU 100 OK 73 93 85 92 1.7-4.9 11388/2.1=24...(45) QD2 LEU 119 + QD2 LEU 62 OK 57 68 90 93 1.8-8.4 10992/2.1=23...(41) QD1 LEU 103 + QD2 LEU 100 OK 55 98 75 74 1.7-7.2 3.2/3259=12...(28) QD1 LEU 53 + QD2 LEU 62 OK 28 60 55 85 1.7-6.2 2.1/10338=50...(13) QD2 LEU 122 + QD2 LEU 62 OK 26 72 80 45 1.8-4.9 9395/3.1=6, 2.1/11793=5...(19) QD2 LEU 49 - QD2 LEU 62 poor 18 52 65 52 3.0-5.2 2.1/10347=14...(13) QD1 LEU 96 - QD2 LEU 100 far 15 100 15 - 3.9-7.0 QD1 LEU 103 - QD2 LEU 62 far 12 79 15 - 3.6-7.7 QD2 LEU 119 - QD2 LEU 100 far 4 89 5 - 4.3-8.3 QD2 LEU 96 - QD2 LEU 100 far 4 76 5 - 3.0-6.8 QD1 LEU 53 - QD2 LEU 100 lone 2 81 30 7 3.4-10.5 3907/11483=2...(3) QD2 LEU 49 - QD2 LEU 100 far 0 71 0 - 4.4-8.1 QG1 VAL 63 - QD2 LEU 62 far 0 78 0 - 4.5-5.8 QD1 ILE 32 - QD2 LEU 100 far 0 100 0 - 4.9-10.9 QD1 LEU 96 - QD2 LEU 62 far 0 83 0 - 5.0-7.9 QG1 VAL 93 - QD2 LEU 100 far 0 78 0 - 5.0-9.9 QD1 ILE 32 - QD2 LEU 62 far 0 82 0 - 6.0-10.9 QD2 LEU 96 - QD2 LEU 62 far 0 56 0 - 6.4-8.8 QD1 ILE 37 - QD2 LEU 62 far 0 82 0 - 6.8-13.9 QD1 ILE 37 - QD2 LEU 100 far 0 100 0 - 7.5-12.9 QG1 VAL 93 - QD2 LEU 62 far 0 58 0 - 9.1-11.8 HG12 ILE 129 - QD2 LEU 100 far 0 68 0 - 9.3-12.2 QD2 LEU 43 - QD2 LEU 62 far 0 45 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 11492 from aliabs.peaks (0.78, 0.60, 25.59 ppm; 2.92 A): 4 out of 10 assignments used, quality = 1.00: QG1 VAL 63 + QD1 LEU 100 OK 93 100 100 93 1.8-3.8 10973=39, 10974/2.1=34...(28) QD2 LEU 122 + QD1 LEU 100 OK 93 100 100 93 2.0-4.4 3903/2.1=20, 2.1/9487=18...(48) QD1 LEU 122 + QD1 LEU 100 OK 32 71 50 89 1.8-5.1 11387/2.1=11, ~3903=10...(45) QD1 LEU 96 + QD1 LEU 100 OK 25 99 35 73 2.5-6.0 2.1/11918=22...(21) QD1 LEU 103 - QD1 LEU 100 far 10 100 10 - 3.1-7.0 QD1 LEU 53 - QD1 LEU 100 far 0 96 0 - 4.5-11.0 QD1 ILE 32 - QD1 LEU 100 far 0 95 0 - 4.6-9.7 QD2 LEU 49 - QD1 LEU 100 far 0 90 0 - 4.7-7.4 QD2 LEU 119 - QD1 LEU 100 far 0 99 0 - 5.1-9.3 QD1 ILE 37 - QD1 LEU 100 far 0 95 0 - 6.9-11.8 Violated in 3 structures by 0.03 A. Peak 11493 from aliabs.peaks (1.65, 0.60, 25.59 ppm; 4.09 A): 0 out of 12 assignments used, quality = 0.00: HB2 LEU 69 - QD1 LEU 100 poor 19 100 25 77 5.2-6.9 6941/11094=48...(9) HB2 LEU 123 - QD1 LEU 100 far 0 100 0 - 5.9-9.2 HG LEU 62 - QD1 LEU 100 far 0 100 0 - 5.9-8.7 HG LEU 119 - QD1 LEU 100 far 0 71 0 - 6.3-10.4 HD3 LYS 31 - QD1 LEU 100 far 0 97 0 - 7.7-16.7 HB2 LEU 98 - QD1 LEU 100 far 0 100 0 - 7.7-9.3 HD2 LYS 31 - QD1 LEU 100 far 0 99 0 - 7.8-16.7 HD3 LYS 36 - QD1 LEU 100 far 0 93 0 - 8.2-15.3 HD2 LYS 36 - QD1 LEU 100 far 0 92 0 - 8.7-14.5 HG3 ARG 23 - QD1 LEU 100 far 0 65 0 - 9.5-25.5 HD3 LYS 95 - QD1 LEU 100 far 0 96 0 - 9.5-12.3 HD2 LYS 95 - QD1 LEU 100 far 0 99 0 - 9.8-12.3 Violated in 20 structures by 1.23 A. Peak 11494 from aliabs.peaks (2.07, 0.60, 25.62 ppm; 5.00 A): 1 out of 11 assignments used, quality = 0.65: HB VAL 118 + QD1 LEU 100 OK 65 100 65 100 5.6-9.8 10259/3.2=76, ~10262=56...(19) HB3 GLN 27 - QD1 LEU 100 far 15 100 15 - 5.0-17.4 HB2 GLU 102 - QD1 LEU 100 far 14 94 15 - 5.9-8.8 HB2 LEU 62 - QD1 LEU 100 far 5 96 5 - 6.3-8.5 HG3 PRO 113 - QD1 LEU 100 far 0 96 0 - 8.8-16.9 HG2 PRO 117 - QD1 LEU 100 far 0 88 0 - 9.0-13.5 HB2 GLN 61 - QD1 LEU 100 far 0 60 0 - 9.2-11.2 HG3 PRO 117 - QD1 LEU 100 far 0 88 0 - 9.5-14.9 HB2 GLU 128 - QD1 LEU 100 far 0 95 0 - 9.6-13.6 HB2 GLN 127 - QD1 LEU 100 far 0 83 0 - 9.7-12.2 HB VAL 57 - QD1 LEU 100 far 0 80 0 - 9.8-11.8 Violated in 20 structures by 1.57 A. Peak 11495 from aliabs.peaks (3.77, 1.77, 26.16 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 97 + HG LEU 100 OK 99 99 100 100 4.2-5.8 10036/2.1=96...(25) HB2 SER 99 - HG LEU 100 far 15 98 15 - 6.3-8.2 Violated in 3 structures by 0.04 A. Peak 11496 from aliabs.peaks (8.47, 2.55, 33.53 ppm; 5.49 A): 2 out of 3 assignments used, quality = 0.92: H LEU 100 + HG3 GLN 101 OK 83 83 100 100 3.9-4.8 3.1/3314=96, ~3305=72...(30) H GLU 97 + HG3 GLN 101 OK 55 60 95 97 4.9-7.2 7409/3314=36...(18) H LEU 70 - HG3 GLN 101 far 0 100 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 11497 from aliabs.peaks (3.96, 2.55, 33.53 ppm; 5.44 A): 1 out of 5 assignments used, quality = 0.99: HA LEU 100 + HG3 GLN 101 OK 99 99 100 100 5.2-6.3 3.6/3314=91...(20) HB3 SER 107 - HG3 GLN 101 poor 15 100 30 51 5.8-13.8 11853/10269=34...(6) HB2 SER 106 - HG3 GLN 101 far 0 98 0 - 7.1-13.7 HB3 SER 106 - HG3 GLN 101 far 0 78 0 - 7.3-13.3 HB3 SER 94 - HG3 GLN 101 far 0 92 0 - 8.7-11.5 Violated in 14 structures by 0.13 A. Peak 11498 from aliabs.peaks (3.98, 2.21, 27.78 ppm; 3.74 A): 2 out of 13 assignments used, quality = 0.70: HA GLN 127 + HB3 GLN 127 OK 54 54 100 100 2.3-3.0 3.0=100 HA SER 50 + HB3 GLN 127 OK 35 62 65 86 2.3-7.1 4060/3.0=19, 4069/3.0=18...(25) HB3 SER 106 - HB2 GLN 101 far 5 99 5 - 5.1-13.5 HB2 SER 106 - HB2 GLN 101 far 4 85 5 - 5.2-12.9 HB2 SER 124 - HB3 GLN 127 far 0 67 0 - 5.3-7.5 HA LEU 100 - HB2 GLN 101 far 0 81 0 - 5.7-6.6 HB3 SER 124 - HB3 GLN 127 far 0 37 0 - 5.7-7.5 HB3 SER 107 - HB2 GLN 101 far 0 68 0 - 5.8-13.6 HB3 SER 99 - HB2 GLN 101 far 0 96 0 - 6.8-8.9 HB3 SER 51 - HB3 GLN 127 far 0 67 0 - 7.4-11.9 HA LEU 103 - HB2 GLN 101 far 0 60 0 - 7.9-8.4 HA GLN 68 - HB2 GLN 101 far 0 89 0 - 9.3-12.7 HB3 SER 94 - HB2 GLN 101 far 0 95 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 11499 from aliabs.peaks (0.98, 2.21, 27.78 ppm; 5.09 A): 3 out of 10 assignments used, quality = 0.80: QG2 VAL 105 + HB2 GLN 101 OK 49 71 70 99 4.8-8.2 10054/2.9=81, ~11503=55...(12) QG2 VAL 126 + HB3 GLN 127 OK 47 48 100 99 3.2-6.6 ~10394=63, 4.4/4050=47...(18) QG1 VAL 126 + HB3 GLN 127 OK 25 37 70 97 3.1-6.8 10394/3.0=48...(15) QD2 LEU 53 - HB3 GLN 127 poor 14 54 25 - 2.9-9.2 QD1 LEU 69 - HB3 GLN 127 poor 10 41 25 - 4.4-9.2 QG2 VAL 118 - HB2 GLN 101 far 4 83 5 - 6.6-10.0 QD1 LEU 69 - HB2 GLN 101 far 4 71 5 - 6.4-12.7 QG1 VAL 126 - HB2 GLN 101 far 0 65 0 - 7.8-11.0 QG2 VAL 126 - HB2 GLN 101 far 0 81 0 - 8.2-11.7 QD2 LEU 53 - HB2 GLN 101 far 0 89 0 - 9.9-17.1 Violated in 1 structures by 0.01 A. Peak 11500 from aliabs.peaks (0.87, 2.21, 27.78 ppm; 4.23 A): 3 out of 12 assignments used, quality = 0.88: QD2 LEU 98 + HB2 GLN 101 OK 62 97 65 99 3.7-6.5 10049/1.8=45...(21) QD2 LEU 70 + HB2 GLN 101 OK 44 93 50 93 3.2-8.1 11400/3.0=29...(25) QD2 LEU 123 + HB3 GLN 127 OK 43 62 70 100 3.6-6.9 11581/3.0=45...(25) QD2 LEU 69 - HB3 GLN 127 lone 0 67 30 1 5.0-8.9 QD1 LEU 98 - HB2 GLN 101 far 0 96 0 - 5.9-7.8 QG1 VAL 118 - HB2 GLN 101 far 0 78 0 - 6.1-8.5 QD2 LEU 70 - HB3 GLN 127 far 0 58 0 - 7.1-12.4 QD2 LEU 48 - HB3 GLN 127 far 0 42 0 - 7.1-10.4 QG2 VAL 20 - HB2 GLN 101 far 0 78 0 - 8.2-29.1 QG1 VAL 118 - HB3 GLN 127 far 0 46 0 - 8.4-12.3 QD2 LEU 69 - HB2 GLN 101 far 0 100 0 - 8.6-13.1 QG2 VAL 57 - HB3 GLN 127 far 0 58 0 - 8.8-13.3 Violated in 6 structures by 0.17 A. Peak 11501 from aliabs.peaks (0.99, 2.30, 27.78 ppm; 5.79 A): 2 out of 5 assignments used, quality = 0.80: QG2 VAL 118 + HB3 GLN 101 OK 55 89 70 89 6.4-9.1 ~10269=59, 10065/7449=53...(5) QG2 VAL 105 + HB3 GLN 101 OK 55 78 70 100 4.8-8.9 10054/2.9=93, ~11503=68...(10) QG2 VAL 126 - HB3 GLN 101 far 4 73 5 - 6.9-12.0 QD1 LEU 69 - HB3 GLN 101 far 0 78 0 - 7.4-13.2 QD2 LEU 53 - HB3 GLN 101 far 0 83 0 - 9.0-17.5 Violated in 17 structures by 0.43 A. Peak 11502 from aliabs.peaks (1.63, 2.43, 33.53 ppm; 4.25 A): 5 out of 16 assignments used, quality = 0.95: HB2 LEU 98 + HG2 GLN 101 OK 81 85 95 100 3.8-5.9 3.1/10056=48...(34) HG2 ARG 84 + HG2 GLN 82 OK 30 95 40 80 3.6-8.6 3.0/11315=20...(14) HG3 ARG 84 + HG2 GLN 82 OK 30 92 40 81 3.7-7.8 3.0/11315=20...(15) HG2 ARG 84 + HG3 GLN 82 OK 29 90 40 81 2.1-8.5 3.0/11315=19, ~11315=19...(14) HG3 ARG 84 + HG3 GLN 82 OK 28 87 40 82 3.3-8.5 3.0/11315=19, ~11315=19...(15) HD3 LYS 86 - HG3 GLN 82 far 6 60 10 - 5.6-11.1 HG LEU 70 - HG2 GLN 101 far 5 92 5 - 5.1-10.2 HD2 LYS 86 - HG3 GLN 82 far 0 53 0 - 6.2-10.5 HD3 LYS 86 - HG2 GLN 82 far 0 66 0 - 6.5-11.6 HG LEU 122 - HG2 GLN 101 far 0 78 0 - 7.2-11.9 HD2 LYS 86 - HG2 GLN 82 far 0 58 0 - 7.5-11.1 HB2 LEU 122 - HG2 GLN 101 far 0 87 0 - 7.5-10.1 HG3 ARG 23 - HG2 GLN 101 far 0 99 0 - 7.8-35.2 HD2 LYS 95 - HG2 GLN 101 far 0 65 0 - 8.8-12.9 HD2 LYS 31 - HG2 GLN 101 far 0 63 0 - 8.8-26.7 HD3 LYS 24 - HG2 GLN 101 far 0 68 0 - 8.9-33.5 Violated in 9 structures by 0.22 A. Peak 11503 from aliabs.peaks (0.97, 2.43, 33.53 ppm; 4.35 A): 1 out of 4 assignments used, quality = 0.28: QG1 VAL 105 + HG2 GLN 101 OK 28 93 30 99 3.1-9.6 10060/7438=59, ~10054=55...(14) QD1 LEU 119 - HG2 GLN 101 far 0 60 0 - 8.0-14.2 QG1 VAL 126 - HG2 GLN 101 far 0 97 0 - 8.0-11.2 QG2 VAL 126 - HG2 GLN 101 far 0 100 0 - 8.1-12.4 Violated in 17 structures by 2.72 A. Peak 11504 from aliabs.peaks (0.78, 2.55, 33.53 ppm; 4.85 A): 0 out of 8 assignments used, quality = 0.00: QD1 LEU 96 - HG3 GLN 101 poor 19 99 35 54 5.4-8.5 11398/3314=17...(9) QD2 LEU 122 - HG3 GLN 101 far 10 99 10 - 6.2-8.8 QD1 LEU 103 - HG3 GLN 101 far 5 100 5 - 6.0-8.8 QD1 LEU 122 - HG3 GLN 101 far 0 68 0 - 6.5-9.5 QG1 VAL 63 - HG3 GLN 101 far 0 100 0 - 6.8-9.6 QD1 ILE 32 - HG3 GLN 101 far 0 96 0 - 9.4-17.3 QD2 LEU 119 - HG3 GLN 101 far 0 98 0 - 9.5-12.6 QD1 LEU 53 - HG3 GLN 101 far 0 95 0 - 9.8-15.9 Violated in 20 structures by 0.75 A. Peak 11505 from aliabs.peaks (4.21, 2.51, 34.64 ppm; 4.77 A): 1 out of 5 assignments used, quality = 0.53: HA SER 99 + HG3 GLU 102 OK 53 97 55 99 2.9-6.8 3332/3.0=75, 3207/3.0=71...(9) HA SER 94 - HG3 GLU 102 far 0 73 0 - 8.0-12.4 HA HIS 67 - HG3 GLU 102 far 0 99 0 - 9.4-12.8 HA ALA 29 - HG3 GLU 102 far 0 95 0 - 9.5-24.2 HB THR 25 - HG3 GLU 102 far 0 71 0 - 9.8-33.0 Violated in 15 structures by 0.97 A. Peak 11506 from aliabs.peaks (1.00, 2.51, 34.64 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.58: QG2 VAL 105 + HG3 GLU 102 OK 58 98 60 99 3.4-9.4 11413/1.8=69, 10083=55...(9) QG2 VAL 118 - HG3 GLU 102 far 15 100 15 - 2.7-8.6 Violated in 15 structures by 1.75 A. Peak 11507 from aliabs.peaks (1.00, 2.23, 28.62 ppm; 4.35 A): 2 out of 8 assignments used, quality = 0.98: QG2 VAL 118 + HB3 GLU 102 OK 94 100 95 99 4.0-6.9 11545=93, 10271/3207=36...(13) QG2 VAL 105 + HB3 GLU 102 OK 69 98 70 100 3.6-8.9 11456/1.8=78...(21) QD1 LEU 69 - HB2 GLN 68 poor 10 50 20 - 4.5-7.2 QD1 LEU 69 - HB3 GLU 97 far 0 89 0 - 6.1-12.2 QD1 LEU 69 - HB3 GLU 128 far 0 97 0 - 7.2-10.1 QG2 VAL 105 - HB3 GLU 97 far 0 89 0 - 7.2-11.1 QG2 VAL 118 - HB3 GLU 97 far 0 93 0 - 7.3-8.8 QG2 VAL 105 - HB2 GLN 68 far 0 50 0 - 8.4-13.7 Violated in 6 structures by 0.19 A. Peak 11508 from aliabs.peaks (0.99, 4.05, 58.39 ppm; 3.44 A): 1 out of 11 assignments used, quality = 0.64: QG2 VAL 105 + HA GLU 102 OK 64 92 70 99 1.9-6.8 10086=67, 2.1/3465=52...(14) QG2 VAL 118 - HA LEU 122 poor 17 86 20 - 4.3-6.6 QD1 LEU 69 - HA LEU 122 far 4 79 5 - 4.3-9.9 QD1 LEU 69 - HA LEU 96 far 0 70 0 - 5.1-10.3 QG2 VAL 118 - HA LEU 96 far 0 76 0 - 5.2-7.2 QG2 VAL 118 - HA GLU 102 far 0 97 0 - 5.5-9.4 QD2 LEU 53 - HA LEU 122 far 0 54 0 - 5.8-9.7 QD2 LEU 53 - HA LEU 96 far 0 46 0 - 6.7-11.5 QG1 VAL 112 - HA GLU 102 far 0 63 0 - 9.6-16.6 QG2 VAL 105 - HA LEU 96 far 0 70 0 - 9.9-13.0 QD2 LEU 53 - HA GLU 102 far 0 65 0 - 9.9-17.7 Violated in 9 structures by 0.88 A. Peak 11509 from aliabs.peaks (3.36, 1.58, 42.10 ppm; 5.42 A): 1 out of 2 assignments used, quality = 0.65: HA VAL 63 + HB2 LEU 103 OK 65 100 65 100 6.0-7.7 11832/3.1=89...(45) HB2 HIS 67 - HB2 LEU 103 far 0 85 0 - 8.4-11.3 Violated in 20 structures by 1.32 A. Peak 11510 from aliabs.peaks (1.24, 0.88, 25.15 ppm; 3.36 A): 2 out of 3 assignments used, quality = 0.56: QG2 THR 65 + QD2 LEU 123 OK 42 87 70 70 2.0-6.6 11640/2.1=17...(21) QG2 THR 54 + QD2 LEU 123 OK 24 100 30 81 3.6-8.6 9275/2.1=40, 9275=35...(13) HG12 ILE 37 - QD2 LEU 123 far 0 63 0 - 8.8-17.2 Violated in 14 structures by 0.48 A. Peak 11513 from aliabs.peaks (3.87, 1.56, 26.82 ppm; 4.80 A): 5 out of 12 assignments used, quality = 0.99: HA LEU 123 + HG LEU 123 OK 87 87 100 100 2.9-3.8 3.7=100 HB3 SER 50 + HG LEU 49 OK 72 73 100 99 3.9-5.6 9209/2.1=40, 3.9/6620=34...(28) HA ALA 46 + HG LEU 49 OK 45 48 100 94 1.8-2.9 10898/2.1=44, ~9176=37...(18) HA LEU 123 + HG LEU 49 OK 43 73 60 99 4.4-8.0 10393/11682=37...(28) HB3 SER 50 + HG LEU 123 OK 30 87 35 99 4.7-9.7 ~11874=40, ~11636=34...(27) HD2 PRO 117 - HG LEU 103 far 5 98 5 - 6.3-14.4 HA ALA 46 - HG LEU 123 far 0 59 0 - 6.7-11.4 HB3 SER 33 - HG2 ARG 23 far 0 52 0 - 7.0-27.1 HA2 GLY 114 - HG LEU 103 far 0 89 0 - 7.2-14.1 HA2 GLY 114 - HG LEU 123 far 0 82 0 - 7.4-16.2 HA LEU 70 - HG LEU 49 far 0 70 0 - 7.9-11.1 HA LEU 123 - HG LEU 103 far 0 93 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 11514 from aliabs.peaks (1.76, 4.09, 58.10 ppm; 3.76 A): 3 out of 17 assignments used, quality = 0.94: HB2 LEU 48 + HA LEU 48 OK 74 74 100 100 2.2-3.0 3.0=100 HB3 LEU 103 + HA GLN 104 OK 60 63 100 96 4.2-5.2 7488/3.0=30...(25) HB3 LEU 98 + HA LEU 98 OK 41 41 100 100 2.5-3.0 3.0=100 HG LEU 100 - HA GLN 104 far 15 99 15 - 4.4-9.2 HB2 LYS 26 - HA LEU 48 far 3 64 5 - 4.0-26.6 HB2 LYS 19 - HA LEU 48 far 3 60 5 - 2.8-35.6 HB2 ARG 23 - HA LEU 98 far 2 47 5 - 4.7-35.4 HB2 LYS 24 - HA LEU 48 far 0 62 0 - 6.1-30.4 HB3 LEU 122 - HA LEU 98 far 0 32 0 - 6.5-10.4 HB2 LYS 26 - HA GLN 104 far 0 83 0 - 6.6-24.8 HB2 LYS 26 - HA LEU 98 far 0 38 0 - 6.7-27.3 HB3 LEU 103 - HA LEU 98 far 0 27 0 - 7.1-8.5 HB2 LYS 24 - HA LEU 98 far 0 37 0 - 7.2-33.1 HB2 ARG 23 - HA GLN 104 far 0 95 0 - 7.7-33.5 HG LEU 100 - HA LEU 98 far 0 51 0 - 7.7-9.1 HB3 LEU 122 - HA GLN 104 far 0 71 0 - 7.7-11.3 HB2 ARG 23 - HA LEU 48 far 0 76 0 - 8.5-29.5 Violated in 0 structures by 0.00 A. Peak 11515 from aliabs.peaks (0.89, 4.09, 58.10 ppm; 3.46 A): 4 out of 23 assignments used, quality = 0.99: QD2 LEU 48 + HA LEU 48 OK 83 83 100 99 2.7-3.9 3.8=75, 1527/3.6=28...(26) QG2 VAL 63 + HA GLN 104 OK 73 83 90 98 1.8-5.3 2.1/10979=40...(20) QD1 LEU 48 + HA LEU 48 OK 65 66 100 99 1.9-3.6 4.0=63, 1528/2.9=28...(29) QD2 LEU 98 + HA LEU 98 OK 51 51 100 100 1.8-3.4 4.0=66, 2.1/3185=57...(25) QD1 LEU 62 - HA GLN 104 far 8 76 10 - 4.4-10.1 QG1 VAL 118 - HA GLN 104 far 5 100 5 - 4.5-10.0 QG2 VAL 20 - HA LEU 48 far 4 84 5 - 3.8-26.0 QG1 VAL 20 - HA LEU 48 far 3 68 5 - 1.9-25.9 QG1 VAL 118 - HA LEU 98 far 3 54 5 - 4.5-7.9 QD1 LEU 49 - HA LEU 48 far 0 60 0 - 5.6-6.1 QD2 LEU 69 - HA LEU 48 far 0 55 0 - 5.7-9.5 QD2 LEU 123 - HA LEU 48 far 0 81 0 - 6.5-9.7 QG2 VAL 20 - HA LEU 98 far 0 54 0 - 6.7-32.6 QD1 LEU 22 - HA LEU 48 far 0 84 0 - 7.0-27.6 QD1 LEU 62 - HA LEU 48 far 0 58 0 - 8.1-12.5 QD1 LEU 22 - HA GLN 104 far 0 100 0 - 8.7-30.2 QG1 VAL 20 - HA LEU 98 far 0 41 0 - 8.8-35.2 QD2 LEU 123 - HA GLN 104 far 0 99 0 - 9.0-13.4 QG2 VAL 63 - HA LEU 98 far 0 38 0 - 9.1-11.0 QD2 LEU 69 - HA GLN 104 far 0 73 0 - 9.4-16.1 QD2 LEU 98 - HA GLN 104 far 0 99 0 - 9.8-11.3 QD1 LEU 62 - HA LEU 98 far 0 34 0 - 9.8-13.1 QG2 VAL 20 - HA GLN 104 far 0 100 0 - 9.9-30.4 Violated in 0 structures by 0.00 A. Peak 11516 from aliabs.peaks (0.98, 2.19, 29.39 ppm; 5.04 A): 1 out of 6 assignments used, quality = 0.71: QG1 VAL 105 + HB2 GLN 104 OK 71 71 100 100 3.8-5.2 3.9/7523=72...(10) QG1 VAL 112 - HB2 GLN 104 far 14 95 15 - 5.5-16.4 QG2 VAL 118 - HB2 GLN 104 poor 14 71 20 - 6.1-12.1 QG1 VAL 126 - HB2 GLN 104 far 0 78 0 - 7.6-11.6 QD2 LEU 53 - HB2 GLN 104 far 0 96 0 - 8.6-15.6 QG2 VAL 126 - HB2 GLN 104 far 0 90 0 - 9.0-12.6 Violated in 3 structures by 0.02 A. Peak 11517 from aliabs.peaks (0.89, 2.19, 29.39 ppm; 5.07 A): 2 out of 10 assignments used, quality = 0.87: QG2 VAL 63 + HB2 GLN 104 OK 83 83 100 100 2.1-5.1 11523/3.0=83...(32) QG1 VAL 118 + HB2 GLN 104 OK 24 100 40 60 4.6-9.8 11535/7493=31...(6) QD1 LEU 62 - HB2 GLN 104 poor 9 76 45 28 4.7-10.7 2031/11011=10...(6) QD2 LEU 69 - HB2 GLN 104 far 0 73 0 - 7.8-14.4 QD2 LEU 123 - HB2 GLN 104 far 0 99 0 - 8.1-13.3 QD2 LEU 98 - HB2 GLN 104 far 0 99 0 - 8.6-10.7 QD1 LEU 22 - HB2 GLN 104 far 0 100 0 - 9.6-29.9 QG2 VAL 20 - HB2 GLN 104 far 0 100 0 - 9.7-29.8 QD1 LEU 48 - HB2 GLN 104 far 0 85 0 - 9.7-18.7 QD1 LEU 49 - HB2 GLN 104 far 0 78 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 11518 from aliabs.peaks (0.77, 2.19, 29.39 ppm; 5.38 A): 2 out of 11 assignments used, quality = 1.00: QG1 VAL 63 + HB2 GLN 104 OK 99 99 100 100 1.8-4.6 9400/3.0=90, 9401/3.0=88...(39) QD1 LEU 103 + HB2 GLN 104 OK 94 99 95 100 1.9-6.9 ~11828=58, ~11717=57...(29) QD2 LEU 122 - HB2 GLN 104 poor 9 96 30 32 4.5-10.0 10337/11445=12...(8) QD1 ILE 32 - HB2 GLN 104 lone 1 99 25 4 4.4-15.4 10849/3.0=2 QD2 LEU 119 - HB2 GLN 104 far 0 92 0 - 7.4-11.8 QD1 LEU 96 - HB2 GLN 104 far 0 100 0 - 7.6-12.3 QD2 LEU 96 - HB2 GLN 104 far 0 71 0 - 7.6-12.8 QD2 LEU 49 - HB2 GLN 104 far 0 76 0 - 8.2-11.8 QD1 LEU 53 - HB2 GLN 104 far 0 85 0 - 8.7-15.1 QD1 ILE 37 - HB2 GLN 104 far 0 99 0 - 9.8-17.7 QG1 VAL 93 - HB2 GLN 104 far 0 73 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 11519 from aliabs.peaks (0.79, 2.22, 29.39 ppm; 5.34 A): 2 out of 10 assignments used, quality = 1.00: QG1 VAL 63 + HB3 GLN 104 OK 100 100 100 100 1.8-4.4 9400/3.0=91...(36) QD1 LEU 103 + HB3 GLN 104 OK 95 100 95 100 2.7-7.0 2.1/11717=72, ~11828=57...(29) QD1 ILE 32 - HB3 GLN 104 poor 17 87 20 - 5.5-15.8 QD1 LEU 122 - HB3 GLN 104 far 12 83 15 - 4.0-10.7 QD2 LEU 122 - HB3 GLN 104 poor 8 100 25 32 4.0-11.0 11387/10025=13...(7) QD1 LEU 70 - HB3 GLN 104 poor 4 68 30 20 4.0-9.6 9487/10030=7...(6) QD1 LEU 96 - HB3 GLN 104 far 0 95 0 - 7.4-13.3 QD2 LEU 119 - HB3 GLN 104 far 0 100 0 - 7.6-12.3 QD2 LEU 49 - HB3 GLN 104 far 0 97 0 - 8.2-12.9 QD1 LEU 53 - HB3 GLN 104 far 0 99 0 - 8.8-16.6 Violated in 0 structures by 0.00 A. Peak 11520 from aliabs.peaks (0.96, 2.22, 29.39 ppm; 5.31 A): 1 out of 7 assignments used, quality = 0.98: QG1 VAL 105 + HB3 GLN 104 OK 98 98 100 100 3.3-6.1 10085/3.0=90...(9) QG1 VAL 112 - HB3 GLN 104 lone 0 100 25 2 5.9-16.5 QG1 VAL 126 - HB3 GLN 104 far 0 99 0 - 7.6-12.9 QD2 LEU 53 - HB3 GLN 104 far 0 100 0 - 8.9-16.8 QG2 VAL 126 - HB3 GLN 104 far 0 100 0 - 9.1-13.4 QD1 LEU 119 - HB3 GLN 104 far 0 73 0 - 9.1-12.5 QG2 ILE 37 - HB3 GLN 104 far 0 63 0 - 9.9-19.4 Violated in 4 structures by 0.09 A. Peak 11521 from aliabs.peaks (0.92, 2.38, 34.44 ppm; 3.57 A): 1 out of 9 assignments used, quality = 1.00: QG2 VAL 63 + HG2 GLN 104 OK 100 100 100 100 1.8-4.9 10960=77, 11442/1.8=68...(26) QD1 LEU 62 - HG2 GLN 104 far 10 100 10 - 4.9-10.2 QG1 VAL 118 - HG2 GLN 104 far 8 78 10 - 4.6-11.5 QG2 VAL 112 - HG2 GLN 104 far 5 99 5 - 4.6-17.0 QD1 LEU 119 - HG2 GLN 104 far 0 76 0 - 7.5-13.6 QD1 LEU 22 - HG2 GLN 104 far 0 63 0 - 9.3-28.8 QD1 LEU 123 - HG2 GLN 104 far 0 97 0 - 9.4-16.6 QG2 VAL 20 - HG2 GLN 104 far 0 78 0 - 9.5-28.2 QD1 LEU 49 - HG2 GLN 104 far 0 100 0 - 9.9-13.9 Violated in 13 structures by 0.42 A. Peak 11522 from aliabs.peaks (0.78, 2.38, 34.44 ppm; 3.62 A): 2 out of 9 assignments used, quality = 1.00: QG1 VAL 63 + HG2 GLN 104 OK 100 100 100 100 1.9-4.0 9400=85, 2.1/11521=69...(24) QD1 LEU 103 + HG2 GLN 104 OK 33 100 35 94 2.0-7.3 2.1/11828=44...(17) QD2 LEU 122 - HG2 GLN 104 far 5 99 5 - 4.6-11.0 QD1 ILE 32 - HG2 GLN 104 far 5 96 5 - 4.6-16.5 QD1 LEU 122 - HG2 GLN 104 far 0 68 0 - 5.4-11.3 QD2 LEU 119 - HG2 GLN 104 far 0 98 0 - 6.6-13.6 QD1 LEU 53 - HG2 GLN 104 far 0 95 0 - 8.0-16.7 QD1 LEU 96 - HG2 GLN 104 far 0 99 0 - 8.6-12.7 QD2 LEU 49 - HG2 GLN 104 far 0 89 0 - 8.8-12.6 Violated in 8 structures by 0.09 A. Peak 11523 from aliabs.peaks (0.90, 2.47, 34.44 ppm; 3.53 A): 1 out of 17 assignments used, quality = 0.87: QG2 VAL 63 + HG3 GLN 104 OK 87 97 90 100 2.0-5.3 11440/1.8=60...(25) QD1 LEU 48 - HG3 GLU 44 poor 18 73 25 - 4.5-8.4 QG2 VAL 112 - HG3 GLN 104 far 7 73 10 - 4.1-18.4 QD1 LEU 62 - HG3 GLN 104 far 5 93 5 - 4.9-9.9 QD2 LEU 48 - HG3 GLU 44 lone 4 78 45 12 2.9-9.6 ~10947=4, 9163/1430=3...(4) QG1 VAL 118 - HG3 GLN 104 far 0 99 0 - 5.1-11.3 QG1 VAL 20 - HG3 GLU 44 far 0 74 0 - 6.7-28.2 QD2 LEU 123 - HG3 GLN 104 far 0 89 0 - 7.4-15.1 QG2 VAL 20 - HG3 GLU 44 far 0 76 0 - 8.0-28.3 QD1 LEU 49 - HG3 GLU 44 far 0 69 0 - 8.0-11.3 QD2 LEU 98 - HG3 GLN 104 far 0 89 0 - 8.3-12.2 QG2 VAL 20 - HG3 GLN 104 far 0 99 0 - 8.9-28.6 QD1 LEU 22 - HG3 GLU 44 far 0 71 0 - 9.2-31.3 QD1 LEU 123 - HG3 GLN 104 far 0 68 0 - 9.2-16.5 QG1 VAL 20 - HG3 GLN 104 far 0 98 0 - 9.5-31.1 QD1 LEU 49 - HG3 GLN 104 far 0 95 0 - 9.5-14.4 QD2 LEU 123 - HG3 GLU 44 far 0 63 0 - 9.9-15.1 Violated in 14 structures by 0.77 A. Peak 11524 from aliabs.peaks (0.76, 2.47, 34.44 ppm; 3.96 A): 3 out of 13 assignments used, quality = 0.90: QG1 VAL 63 + HG3 GLN 104 OK 81 81 100 100 1.9-4.5 2.1/11523=76, 9401=65...(21) QD1 LEU 103 + HG3 GLN 104 OK 31 83 40 92 1.7-8.0 ~11828=41, ~11717=24...(14) QD2 LEU 103 + HG3 GLN 104 OK 23 63 40 92 1.9-7.3 7491/7496=32...(17) QD1 ILE 32 - HG3 GLU 44 poor 19 76 25 - 1.9-15.1 QD1 ILE 32 - HG3 GLN 104 far 10 99 10 - 4.3-16.1 QD2 LEU 122 - HG3 GLN 104 far 4 71 5 - 4.8-11.1 QD1 ILE 37 - HG3 GLU 44 far 0 76 0 - 5.5-12.4 QD2 LEU 43 - HG3 GLU 44 far 0 63 0 - 6.0-8.0 QD2 LEU 119 - HG3 GLN 104 far 0 63 0 - 6.2-13.1 QD2 LEU 96 - HG3 GLN 104 far 0 96 0 - 6.7-13.1 QD1 LEU 96 - HG3 GLN 104 far 0 96 0 - 7.7-13.3 QG1 VAL 93 - HG3 GLN 104 far 0 97 0 - 8.6-15.3 QD1 ILE 37 - HG3 GLN 104 far 0 99 0 - 9.2-18.5 Violated in 7 structures by 0.06 A. Peak 11525 from aliabs.peaks (0.64, 2.38, 34.44 ppm; 5.32 A): 0 out of 0 assignments used, quality = 0.00: Peak 11526 from aliabs.peaks (7.29, 1.01, 20.08 ppm; 4.55 A): 0 out of 0 assignments used, quality = 0.00: Peak 11527 from aliabs.peaks (1.55, 2.27, 31.70 ppm; 4.77 A): 0 out of 8 assignments used, quality = 0.00: HB2 LEU 119 - HB3 PRO 113 far 14 91 15 - 4.1-13.4 HG LEU 103 - HB3 PRO 113 far 9 94 10 - 4.7-13.7 HB2 LEU 103 - HB3 PRO 113 far 7 68 10 - 4.2-14.9 HG LEU 103 - HB VAL 105 far 0 100 0 - 6.9-10.3 HG LEU 123 - HB3 PRO 113 far 0 88 0 - 7.1-17.2 HB2 LEU 103 - HB VAL 105 far 0 76 0 - 7.8-10.4 HB3 LEU 42 - HB VAL 132 far 0 55 0 - 7.9-12.8 HG2 ARG 23 - HB VAL 105 far 0 98 0 - 8.0-39.0 Violated in 18 structures by 1.82 A. Peak 11528 from aliabs.peaks (1.68, 2.27, 31.70 ppm; 4.36 A): 2 out of 9 assignments used, quality = 0.64: QB ALA 88 + HB VAL 132 OK 48 49 100 98 3.2-5.0 10533/2.1=58...(15) HG2 ARG 135 + HB VAL 132 OK 31 36 85 100 3.4-6.5 10527/3.0=49, ~11783=45...(35) HD3 LYS 26 - HB VAL 105 far 5 90 5 - 3.6-29.1 HD2 LYS 26 - HB VAL 105 far 4 85 5 - 5.2-30.3 HD3 LYS 86 - HB VAL 132 far 0 35 0 - 7.4-11.5 HB2 LEU 123 - HB3 PRO 113 far 0 53 0 - 8.2-17.3 HD2 LYS 86 - HB VAL 132 far 0 39 0 - 8.3-11.6 HB2 LEU 43 - HB VAL 132 far 0 33 0 - 9.0-12.7 HD2 LYS 39 - HB VAL 132 far 0 59 0 - 9.1-15.3 Violated in 2 structures by 0.01 A. Peak 11529 from aliabs.peaks (2.39, 1.01, 20.08 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.88: HG2 GLN 104 + QG2 VAL 105 OK 88 93 95 100 2.3-5.9 10085/2.1=82, 11439=75...(11) HG3 GLU 97 - QG2 VAL 105 far 0 99 0 - 8.0-12.7 Violated in 11 structures by 0.25 A. Peak 11530 from aliabs.peaks (4.46, 1.01, 20.08 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: HA SER 106 + QG2 VAL 105 OK 100 100 100 100 3.2-4.4 11466=100, 2.9/7539=68...(19) HA ASP 64 - QG2 VAL 105 far 0 97 0 - 6.5-11.4 HA PRO 58 - QG2 VAL 105 far 0 99 0 - 9.6-13.7 Violated in 13 structures by 0.11 A. Peak 11531 from aliabs.peaks (3.95, 1.01, 20.08 ppm; 4.05 A): 3 out of 10 assignments used, quality = 0.97: HB2 SER 106 + QG2 VAL 105 OK 90 90 100 100 2.8-4.4 3.0/11466=61...(18) HB3 SER 106 + QG2 VAL 105 OK 60 60 100 99 2.9-4.8 3.0/11466=61...(19) HB3 SER 107 + QG2 VAL 105 OK 30 98 35 86 5.1-7.3 ~10110=34, ~10110=32...(12) HA LEU 100 - QG2 VAL 105 far 5 93 5 - 5.5-8.0 HA2 GLY 111 - QG2 VAL 105 far 0 85 0 - 5.8-13.0 HA2 GLY 17 - QG2 VAL 105 far 0 100 0 - 6.5-38.1 HA3 GLY 111 - QG2 VAL 105 far 0 100 0 - 6.5-13.7 HA3 GLY 17 - QG2 VAL 105 far 0 99 0 - 6.7-36.6 HD3 PRO 117 - QG2 VAL 105 far 0 100 0 - 6.8-13.8 HD3 PRO 113 - QG2 VAL 105 far 0 93 0 - 7.6-16.0 Violated in 0 structures by 0.00 A. Peak 11532 from aliabs.peaks (1.39, 4.46, 58.66 ppm; 4.29 A): 1 out of 12 assignments used, quality = 0.28: QB ALA 108 + HA SER 106 OK 28 99 30 94 3.6-7.1 10101/7546=47...(13) QB ALA 109 - HA SER 106 poor 13 100 25 53 5.0-9.1 10084/11466=14...(11) QB ALA 110 - HA SER 106 far 10 100 10 - 3.9-12.2 QB ALA 16 - HA SER 106 far 5 100 5 - 5.2-39.2 QB ALA 15 - HA SER 106 far 5 99 5 - 4.0-42.5 QB ALA 29 - HA SER 106 far 5 98 5 - 4.7-21.2 QB ALA 28 - HA SER 106 far 0 100 0 - 6.0-23.5 HB3 LEU 100 - HA SER 106 far 0 93 0 - 7.8-13.1 QB ALA 12 - HA SER 106 far 0 63 0 - 8.0-43.9 HG3 LYS 26 - HA SER 106 far 0 99 0 - 8.1-30.8 HG3 LYS 31 - HA SER 106 far 0 100 0 - 8.7-29.4 HG LEU 96 - HA SER 106 far 0 97 0 - 8.8-17.8 Violated in 18 structures by 1.69 A. Peak 11533 from aliabs.peaks (1.00, 4.46, 58.66 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.97: QG2 VAL 105 + HA SER 106 OK 97 97 100 100 3.2-4.4 11530=94, 2.1/11534=66...(19) QG2 VAL 118 - HA SER 106 far 0 99 0 - 6.4-11.0 QD1 LEU 69 - HA SER 106 far 0 97 0 - 10.0-18.3 Violated in 13 structures by 0.09 A. Peak 11534 from aliabs.peaks (0.94, 4.46, 58.66 ppm; 4.27 A): 1 out of 7 assignments used, quality = 0.97: QG1 VAL 105 + HA SER 106 OK 97 97 100 100 5.3-5.5 2.1/11466=80...(18) QG2 VAL 112 - HA SER 106 far 0 83 0 - 5.8-15.7 QD1 LEU 119 - HA SER 106 far 0 100 0 - 6.3-14.7 QD1 LEU 62 - HA SER 106 far 0 57 0 - 6.7-12.9 QG1 VAL 112 - HA SER 106 far 0 78 0 - 7.1-15.7 QG2 VAL 126 - HA SER 106 far 0 85 0 - 9.7-16.6 QG1 VAL 126 - HA SER 106 far 0 95 0 - 9.9-15.6 Violated in 20 structures by 1.17 A. Peak 11535 from aliabs.peaks (0.77, 4.46, 58.66 ppm; 5.18 A): 2 out of 8 assignments used, quality = 0.62: QD1 LEU 103 + HA SER 106 OK 47 97 60 82 5.1-8.9 11469/2.9=34...(13) QG1 VAL 63 + HA SER 106 OK 28 96 35 83 5.2-9.7 ~11854=31, 11469/2.9=29...(8) QD2 LEU 96 - HA SER 106 far 0 81 0 - 7.7-15.4 QD2 LEU 119 - HA SER 106 far 0 85 0 - 7.8-14.8 QD1 ILE 32 - HA SER 106 far 0 100 0 - 7.9-20.6 QD1 LEU 96 - HA SER 106 far 0 100 0 - 8.2-15.6 QD2 LEU 122 - HA SER 106 far 0 90 0 - 9.1-13.0 QG1 VAL 93 - HA SER 106 far 0 83 0 - 9.7-17.9 Violated in 17 structures by 0.54 A. Peak 11536 from aliabs.peaks (1.59, 3.98, 63.90 ppm; 5.75 A): 0 out of 11 assignments used, quality = 0.00: HB2 LEU 103 - HB3 SER 106 poor 17 87 20 - 5.6-12.2 HB2 LEU 103 - HB2 SER 106 poor 17 67 25 - 5.2-11.7 HG3 ARG 23 - HB3 SER 106 far 7 73 10 - 6.2-41.8 HG3 ARG 23 - HB2 SER 106 far 3 55 5 - 5.7-41.7 HG LEU 22 - HB2 SER 106 far 0 53 0 - 8.4-43.8 HG LEU 119 - HB2 SER 106 far 0 50 0 - 8.8-16.7 HG LEU 119 - HB3 SER 106 far 0 68 0 - 9.0-16.7 HG LEU 22 - HB3 SER 106 far 0 71 0 - 9.2-43.9 HG LEU 70 - HB2 SER 106 far 0 70 0 - 9.3-16.0 HG LEU 70 - HB3 SER 106 far 0 90 0 - 9.3-16.0 HB3 LEU 22 - HB3 SER 106 far 0 81 0 - 9.8-41.4 Violated in 16 structures by 1.27 A. Peak 11537 from aliabs.peaks (1.13, 4.28, 52.75 ppm; 4.49 A): 0 out of 14 assignments used, quality = 0.00: QG2 THR 115 - HA ALA 110 far 14 96 15 - 3.9-10.3 QG2 THR 115 - HA ALA 109 poor 12 58 20 - 4.0-10.2 QG2 THR 115 - HA ALA 108 far 5 100 5 - 5.2-12.4 HB3 LEU 62 - HA ALA 109 far 3 54 5 - 5.8-16.2 HB3 LEU 62 - HA ALA 110 far 0 92 0 - 6.2-18.6 HB3 LEU 62 - HA ALA 108 far 0 97 0 - 6.3-16.0 QG2 THR 115 - HA ALA 16 far 0 93 0 - 6.6-41.6 QG2 THR 115 - HA ALA 15 far 0 67 0 - 7.7-43.9 HG12 ILE 32 - HA ALA 21 far 0 26 0 - 8.2-19.4 HG12 ILE 32 - HA ALA 16 far 0 71 0 - 8.2-24.9 HG12 ILE 32 - HA ALA 15 far 0 48 0 - 8.5-26.4 HG2 LYS 39 - HA ALA 21 far 0 38 0 - 8.9-36.0 QG2 THR 115 - HA ALA 21 far 0 37 0 - 9.4-37.2 HB3 LEU 62 - HA ALA 12 far 0 77 0 - 9.5-42.1 Violated in 17 structures by 1.59 A. Peak 11540 from aliabs.peaks (0.92, 1.38, 19.17 ppm; 3.70 A): 4 out of 83 assignments used, quality = 0.98: QG2 VAL 112 + QB ALA 109 OK 84 94 90 99 2.0-8.3 11553/10196=60, 11496=59...(17) QG2 VAL 112 + QB ALA 110 OK 65 100 70 93 2.7-6.5 11496=39, 10661/4.8=32...(15) QG2 VAL 63 + QB ALA 108 OK 39 96 45 91 2.0-9.1 11484/2.9=33...(19) QG2 VAL 63 + QB ALA 109 OK 33 87 50 75 3.0-10.4 10118/2.9=21, 10971=21...(18) QG1 VAL 20 - QB ALA 16 poor 19 76 40 62 2.4-9.1 2.1/10683=48, 353/3.7=9...(5) QG1 VAL 20 - QB ALA 15 poor 18 88 20 - 2.8-9.3 QD1 LEU 48 - QB ALA 28 poor 17 87 20 - 3.2-16.6 QG2 VAL 112 - QB ALA 15 far 15 97 15 - 3.1-37.8 QG2 VAL 63 - QB ALA 110 far 14 95 15 - 4.6-11.5 QD1 LEU 48 - QB ALA 29 poor 10 86 45 26 1.8-14.9 ~10733=14, ~10782=8...(4) QD1 LEU 62 - QB ALA 108 far 10 98 10 - 3.9-9.4 QD1 LEU 62 - QB ALA 110 far 10 97 10 - 4.3-11.7 QG2 VAL 20 - QB ALA 16 poor 9 45 20 - 3.7-11.1 QD1 LEU 119 - QB ALA 108 far 9 90 10 - 3.5-12.1 QD2 LEU 48 - QB ALA 28 far 9 58 15 - 3.8-16.6 QG2 VAL 112 - QB ALA 16 far 9 86 10 - 2.6-35.5 QG2 VAL 20 - QB ALA 15 far 8 55 15 - 2.0-11.1 QD1 LEU 119 - QB ALA 109 far 8 81 10 - 2.3-10.3 QG2 ILE 37 - QB ALA 16 far 8 78 10 - 3.2-22.0 QD2 LEU 48 - QB ALA 29 poor 8 58 50 26 1.7-12.9 ~10733=14, ~10782=8...(4) QG1 VAL 57 - QB ALA 28 far 7 75 10 - 4.4-19.4 QG1 VAL 118 - QB ALA 108 far 6 60 10 - 2.6-10.7 QG2 VAL 112 - QB ALA 108 far 5 100 5 - 5.1-11.3 QG1 VAL 20 - QB ALA 110 far 5 92 5 - 5.2-35.9 QD1 LEU 49 - QB ALA 29 far 4 90 5 - 4.0-13.4 QD1 LEU 119 - QB ALA 110 far 4 89 5 - 4.8-12.2 QG2 VAL 63 - QB ALA 28 far 4 88 5 - 4.1-13.6 QG2 VAL 63 - QB ALA 29 far 4 88 5 - 5.0-11.2 QG1 VAL 20 - QB ALA 28 far 4 86 5 - 4.5-14.9 QG1 VAL 20 - QB ALA 29 far 4 85 5 - 4.2-16.0 QG1 VAL 57 - QB ALA 15 far 4 77 5 - 4.0-28.6 QG1 VAL 57 - QB ALA 29 far 4 74 5 - 3.3-15.9 QG2 VAL 20 - QB ALA 110 far 3 59 5 - 3.3-33.8 QG1 VAL 118 - QB ALA 110 far 3 59 5 - 4.6-13.0 QG2 VAL 20 - QB ALA 28 far 3 53 5 - 2.5-13.5 QG2 VAL 20 - QB ALA 29 far 3 53 5 - 3.4-14.7 QG2 VAL 20 - QB ALA 109 far 3 52 5 - 4.7-31.7 QG1 VAL 118 - QB ALA 109 far 3 52 5 - 4.9-10.3 QG1 VAL 57 - QB ALA 16 far 0 65 0 - 5.2-25.8 QG2 VAL 20 - QB ALA 108 far 0 60 0 - 5.4-30.5 QD1 LEU 62 - QB ALA 109 far 0 90 0 - 5.6-9.6 QD1 LEU 123 - QB ALA 29 far 0 94 0 - 5.9-14.8 QG1 VAL 57 - QB ALA 110 far 0 82 0 - 5.9-16.4 QD1 LEU 119 - QB ALA 15 far 0 85 0 - 6.0-31.6 QG2 ILE 37 - QB ALA 15 far 0 91 0 - 6.1-23.2 QD1 LEU 62 - QB ALA 28 far 0 92 0 - 6.2-13.6 QD1 LEU 62 - QB ALA 29 far 0 91 0 - 6.3-13.1 QG2 ILE 37 - QB ALA 29 far 0 88 0 - 6.4-10.6 QG1 VAL 20 - QB ALA 109 far 0 85 0 - 6.4-33.7 QG1 VAL 20 - QB ALA 108 far 0 93 0 - 6.5-32.5 QG1 VAL 57 - QB ALA 109 far 0 74 0 - 6.7-14.7 QD1 LEU 49 - QB ALA 28 far 0 91 0 - 7.0-15.0 QD1 LEU 48 - QB ALA 15 far 0 90 0 - 7.1-21.9 QD2 LEU 48 - QB ALA 15 far 0 60 0 - 7.2-21.2 QD1 LEU 119 - QB ALA 29 far 0 82 0 - 7.5-16.2 QD1 LEU 123 - QB ALA 15 far 0 97 0 - 7.6-27.3 QG1 VAL 118 - QB ALA 29 far 0 53 0 - 7.7-13.2 QD2 LEU 48 - QB ALA 16 far 0 50 0 - 7.9-20.0 QG1 VAL 57 - QB ALA 108 far 0 83 0 - 8.0-14.8 QD1 LEU 119 - QB ALA 16 far 0 72 0 - 8.0-29.2 QG2 VAL 63 - QB ALA 15 far 0 91 0 - 8.1-29.1 QD2 LEU 48 - QB ALA 108 far 0 65 0 - 8.1-16.7 QD1 LEU 62 - QB ALA 16 far 0 82 0 - 8.1-26.3 QD1 LEU 48 - QB ALA 16 far 0 77 0 - 8.3-20.5 QD1 LEU 123 - QB ALA 16 far 0 86 0 - 8.3-26.3 QD1 LEU 49 - QB ALA 15 far 0 93 0 - 8.5-24.7 QD1 LEU 123 - QB ALA 108 far 0 100 0 - 8.6-14.5 QD1 LEU 48 - QB ALA 108 far 0 95 0 - 8.7-18.1 QG1 VAL 118 - QB ALA 28 far 0 53 0 - 8.7-14.8 QD1 LEU 119 - QB ALA 28 far 0 82 0 - 8.7-15.4 QD1 LEU 123 - QB ALA 110 far 0 100 0 - 8.8-16.1 QD1 LEU 62 - QB ALA 15 far 0 94 0 - 8.9-29.4 QD1 LEU 49 - QB ALA 108 far 0 97 0 - 9.0-14.5 QD1 LEU 49 - QB ALA 16 far 0 81 0 - 9.0-24.1 QG2 VAL 112 - QB ALA 28 far 0 95 0 - 9.1-22.0 QD1 LEU 123 - QB ALA 28 far 0 95 0 - 9.2-15.9 QG2 VAL 63 - QB ALA 16 far 0 78 0 - 9.3-26.4 QG2 VAL 112 - QB ALA 29 far 0 95 0 - 9.4-20.4 QD1 LEU 123 - QB ALA 109 far 0 94 0 - 9.6-13.6 QG2 ILE 37 - QB ALA 28 far 0 88 0 - 9.7-13.8 QD2 LEU 48 - QB ALA 109 far 0 57 0 - 9.8-17.1 QD1 LEU 49 - QB ALA 110 far 0 97 0 - 9.9-16.3 QG1 VAL 118 - QB ALA 15 far 0 55 0 - 9.9-29.9 Violated in 3 structures by 0.07 A. Peak 11541 from aliabs.peaks (0.79, 1.38, 19.17 ppm; 4.86 A): 6 out of 64 assignments used, quality = 0.99: QD1 LEU 103 + QB ALA 109 OK 69 90 85 91 3.1-7.8 2.1/11825=46...(18) QG1 VAL 63 + QB ALA 108 OK 68 98 70 99 1.8-9.9 10980/11883=62, 10964=48...(23) QD1 ILE 32 + QB ALA 29 OK 67 67 100 100 1.8-3.8 3.2/10790=75...(27) QD1 ILE 32 + QB ALA 28 OK 52 68 100 77 4.0-6.3 10776/2.1=24...(15) QD1 LEU 103 + QB ALA 108 OK 45 97 55 83 2.8-7.5 11486/2.9=31...(19) QG1 VAL 63 + QB ALA 109 OK 41 90 55 83 1.7-11.8 10964/4.6=30...(17) QD2 LEU 119 - QB ALA 110 poor 20 100 20 - 4.9-11.0 QG1 VAL 63 - QB ALA 110 poor 19 97 20 - 5.3-12.9 QD2 LEU 119 - QB ALA 108 far 15 100 15 - 4.6-11.6 QD2 LEU 122 - QB ALA 108 far 10 100 10 - 5.4-11.8 QD1 LEU 53 - QB ALA 29 far 9 95 10 - 4.6-16.8 QD2 LEU 119 - QB ALA 109 poor 9 94 25 36 2.1-10.9 10927/10925=23...(6) QD1 ILE 32 - QB ALA 108 far 8 76 10 - 6.2-17.0 QD1 ILE 37 - QB ALA 16 far 6 59 10 - 4.6-22.7 QD2 LEU 119 - QB ALA 29 far 5 95 5 - 6.1-14.8 QD2 LEU 49 - QB ALA 28 far 5 94 5 - 6.1-13.0 QD1 LEU 103 - QB ALA 15 far 5 93 5 - 6.0-31.9 QD1 LEU 122 - QB ALA 110 far 5 91 5 - 5.8-13.3 QD1 LEU 122 - QB ALA 109 far 4 83 5 - 6.1-11.8 QD1 LEU 70 - QB ALA 108 far 4 81 5 - 6.1-13.2 QD1 LEU 96 - QB ALA 29 far 4 78 5 - 5.6-11.8 QD1 ILE 32 - QB ALA 15 far 4 70 5 - 6.3-19.1 QD1 ILE 37 - QB ALA 29 far 3 67 5 - 4.8-9.6 QD2 LEU 49 - QB ALA 29 lone 2 93 55 4 2.4-11.3 QG1 VAL 63 - QB ALA 29 lone 1 91 30 5 3.1-10.3 4.3/9409=2 QD1 LEU 103 - QB ALA 110 lone 1 97 25 4 1.8-9.4 11427/9346=1 QG1 VAL 63 - QB ALA 28 lone 0 92 25 2 2.2-13.1 QD1 LEU 70 - QB ALA 29 lone 0 72 30 1 2.8-11.9 QD1 LEU 122 - QB ALA 29 far 0 83 0 - 6.4-11.9 QD2 LEU 122 - QB ALA 110 far 0 99 0 - 6.5-13.7 QD1 LEU 53 - QB ALA 28 far 0 95 0 - 6.5-18.2 QD1 LEU 122 - QB ALA 108 far 0 92 0 - 6.5-11.7 QD1 LEU 103 - QB ALA 28 far 0 91 0 - 6.6-16.7 QD1 LEU 70 - QB ALA 109 far 0 71 0 - 6.8-13.3 QD1 LEU 53 - QB ALA 110 far 0 100 0 - 6.8-17.5 QD2 LEU 122 - QB ALA 29 far 0 94 0 - 6.9-11.8 QD2 LEU 49 - QB ALA 108 far 0 99 0 - 7.0-13.6 QD1 LEU 53 - QB ALA 108 far 0 100 0 - 7.0-16.9 QD1 LEU 70 - QB ALA 28 far 0 73 0 - 7.0-15.9 QD1 LEU 96 - QB ALA 108 far 0 87 0 - 7.2-14.4 QD1 ILE 37 - QB ALA 15 far 0 70 0 - 7.3-23.6 QD2 LEU 122 - QB ALA 109 far 0 93 0 - 7.3-12.3 QD1 ILE 32 - QB ALA 109 far 0 67 0 - 7.4-18.6 QD2 LEU 119 - QB ALA 15 far 0 97 0 - 7.5-29.9 QD1 ILE 32 - QB ALA 110 far 0 75 0 - 7.8-21.1 QD1 ILE 32 - QB ALA 16 far 0 59 0 - 7.9-16.9 QD1 LEU 70 - QB ALA 110 far 0 80 0 - 7.9-17.6 QD2 LEU 119 - QB ALA 28 far 0 95 0 - 8.0-14.8 QD1 LEU 103 - QB ALA 29 far 0 90 0 - 8.1-13.8 QD1 LEU 96 - QB ALA 110 far 0 86 0 - 8.1-17.5 QD1 ILE 37 - QB ALA 28 far 0 68 0 - 8.3-13.2 QD1 LEU 70 - QB ALA 15 far 0 75 0 - 8.3-29.2 QD1 LEU 96 - QB ALA 28 far 0 79 0 - 8.4-15.3 QG1 VAL 63 - QB ALA 16 far 0 82 0 - 8.6-25.3 QD1 LEU 103 - QB ALA 16 far 0 81 0 - 8.6-30.1 QD1 LEU 53 - QB ALA 109 far 0 94 0 - 8.7-14.2 QD1 LEU 122 - QB ALA 28 far 0 84 0 - 8.9-13.0 QD1 LEU 53 - QB ALA 16 far 0 86 0 - 8.9-28.4 QD2 LEU 49 - QB ALA 109 far 0 93 0 - 8.9-14.6 QD1 LEU 96 - QB ALA 109 far 0 78 0 - 9.0-15.3 QD2 LEU 119 - QB ALA 16 far 0 86 0 - 9.1-27.1 QG1 VAL 63 - QB ALA 15 far 0 94 0 - 9.2-27.8 QD2 LEU 122 - QB ALA 28 far 0 94 0 - 9.2-12.8 QD1 LEU 53 - QB ALA 15 far 0 97 0 - 9.4-28.8 Violated in 0 structures by 0.00 A. Peak 11543 from aliabs.peaks (4.28, 0.92, 20.13 ppm; 4.02 A): 3 out of 12 assignments used, quality = 0.81: HA ALA 109 + QG2 VAL 112 OK 54 100 55 99 3.8-10.0 2.1/11548=54, ~10135=49...(14) HA ALA 110 + QG2 VAL 112 OK 36 99 45 82 5.0-8.2 2.1/11496=35...(13) HB THR 115 + QG2 VAL 112 OK 35 100 35 100 4.4-7.0 2.1/11553=89...(19) HA ALA 15 - QG2 VAL 112 far 10 100 10 - 2.3-45.6 HA ALA 16 - QG2 VAL 112 far 10 100 10 - 4.0-43.0 HA ALA 108 - QG2 VAL 112 far 0 100 0 - 5.8-13.9 HA GLN 61 - QG2 VAL 112 far 0 100 0 - 7.8-18.3 HA LYS 19 - QG2 VAL 112 far 0 100 0 - 8.2-40.7 HA THR 18 - QG2 VAL 112 far 0 100 0 - 8.4-42.5 HA LYS 26 - QG2 VAL 112 far 0 99 0 - 9.2-30.6 HA ALA 21 - QG2 VAL 112 far 0 85 0 - 9.3-38.9 HA ALA 12 - QG2 VAL 112 far 0 98 0 - 9.9-46.3 Violated in 17 structures by 0.52 A. Peak 11544 from aliabs.peaks (4.27, 0.96, 20.76 ppm; 3.65 A): 1 out of 20 assignments used, quality = 0.95: HB THR 115 + QG1 VAL 112 OK 95 100 95 100 2.4-5.4 2.1/10194=88...(18) HA ALA 109 - QG1 VAL 105 poor 14 68 20 - 4.1-11.4 HA ALA 15 - QG1 VAL 112 far 5 97 5 - 4.5-44.3 HA LYS 26 - QG1 VAL 105 far 4 71 5 - 3.1-24.7 HA ALA 109 - QG1 VAL 112 far 0 99 0 - 5.5-10.9 HA GLN 27 - QG1 VAL 105 far 0 49 0 - 5.6-24.3 HA ALA 15 - QG1 VAL 105 far 0 66 0 - 5.8-40.8 HA ALA 16 - QG1 VAL 112 far 0 99 0 - 5.9-41.9 HA ALA 108 - QG1 VAL 105 far 0 68 0 - 6.0-10.0 HA ALA 110 - QG1 VAL 112 far 0 92 0 - 6.1-8.6 HA THR 25 - QG1 VAL 105 far 0 50 0 - 6.1-26.3 HA ALA 28 - QG1 VAL 105 far 0 43 0 - 6.7-22.7 HA ALA 12 - QG1 VAL 105 far 0 59 0 - 6.8-42.6 HA ALA 110 - QG1 VAL 105 far 0 60 0 - 7.5-14.6 HA ALA 108 - QG1 VAL 112 far 0 99 0 - 7.5-13.5 HA ARG 23 - QG1 VAL 105 far 0 67 0 - 7.6-29.6 HA GLN 61 - QG1 VAL 112 far 0 97 0 - 7.9-16.8 HA ALA 16 - QG1 VAL 105 far 0 69 0 - 8.4-37.7 HA ALA 21 - QG1 VAL 105 far 0 41 0 - 9.3-34.7 HA LYS 31 - QG1 VAL 105 far 0 71 0 - 9.3-22.8 Violated in 13 structures by 0.26 A. Peak 11545 from aliabs.peaks (1.92, 4.42, 59.83 ppm; 3.80 A): 1 out of 3 assignments used, quality = 0.99: HG2 PRO 113 + HA VAL 112 OK 99 99 100 100 4.2-4.5 2.3/3567=84, 2.3/3568=83...(45) HB2 PRO 58 - HA VAL 112 far 4 73 5 - 5.3-16.5 HB2 PRO 113 - HA VAL 112 far 0 92 0 - 5.5-5.6 Violated in 20 structures by 0.56 A. Peak 11546 from aliabs.peaks (1.94, 2.12, 32.13 ppm; 4.09 A): 2 out of 6 assignments used, quality = 0.81: HB3 PRO 81 + HB2 PRO 81 OK 71 71 100 100 1.8-1.8 1.8=100 HG2 PRO 113 + HB VAL 112 OK 34 98 35 100 4.5-5.9 2.3/11570=82...(47) HB2 PRO 58 - HB VAL 112 far 15 99 15 - 5.4-18.0 HB3 LYS 86 - HB2 PRO 81 far 0 64 0 - 6.7-10.7 HB ILE 37 - HB2 PRO 81 far 0 41 0 - 9.8-18.1 HB2 MET 11 - HB2 PRO 81 far 0 51 0 - 9.9-50.5 Violated in 0 structures by 0.00 A. Peak 11547 from aliabs.peaks (1.91, 0.96, 20.76 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: HB2 PRO 113 + QG1 VAL 112 OK 100 100 100 100 4.1-4.9 3.0/10125=75...(50) HG2 PRO 113 + QG1 VAL 112 OK 71 71 100 100 2.8-3.3 2.3/10125=86...(47) HB2 MET 11 - QG1 VAL 105 far 0 65 0 - 6.2-47.0 Violated in 0 structures by 0.00 A. Peak 11548 from aliabs.peaks (1.39, 0.92, 20.13 ppm; 3.15 A): 2 out of 9 assignments used, quality = 0.85: QB ALA 109 + QG2 VAL 112 OK 72 100 75 96 2.0-8.3 10135/2.1=49, 10732=38...(17) QB ALA 110 + QG2 VAL 112 OK 47 99 60 80 2.7-6.5 10732=26, 4.8/10661=21...(15) QB ALA 15 - QG2 VAL 112 far 15 98 15 - 3.1-37.8 QB ALA 16 - QG2 VAL 112 far 10 100 10 - 2.6-35.5 QB ALA 108 - QG2 VAL 112 far 0 97 0 - 5.1-11.3 HG2 LYS 19 - QG2 VAL 112 far 0 83 0 - 6.0-42.9 HG3 LYS 26 - QG2 VAL 112 far 0 98 0 - 8.8-28.6 QB ALA 28 - QG2 VAL 112 far 0 99 0 - 9.1-22.0 QB ALA 29 - QG2 VAL 112 far 0 96 0 - 9.4-20.4 Violated in 9 structures by 0.45 A. Peak 11549 from aliabs.peaks (1.13, 2.12, 32.13 ppm; 3.68 A): 1 out of 6 assignments used, quality = 1.00: QG2 THR 115 + HB VAL 112 OK 100 100 100 100 2.1-4.2 10194/2.1=88, 10185=79...(19) HG2 LYS 39 - HB2 PRO 81 poor 9 77 30 39 3.5-12.3 11591/2.3=9, ~1185=5...(13) HG3 LYS 39 - HB2 PRO 81 far 2 39 5 - 4.9-12.3 QG2 VAL 132 - HB2 PRO 81 far 0 74 0 - 6.5-10.7 HB3 LEU 62 - HB VAL 112 far 0 97 0 - 7.0-15.5 QG1 VAL 132 - HB2 PRO 81 far 0 76 0 - 7.1-10.4 Violated in 8 structures by 0.11 A. Peak 11550 from aliabs.peaks (1.13, 4.42, 59.83 ppm; 5.60 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + HA VAL 112 OK 100 100 100 100 3.9-4.9 10194/3562=100...(20) HB3 LEU 62 - HA VAL 112 far 0 97 0 - 7.7-13.9 Violated in 0 structures by 0.00 A. Peak 11551 from aliabs.peaks (1.40, 4.42, 59.83 ppm; 6.32 A): 2 out of 6 assignments used, quality = 0.95: QB ALA 109 + HA VAL 112 OK 80 89 90 100 3.1-8.9 10135/3562=100...(18) QB ALA 110 + HA VAL 112 OK 77 78 100 98 4.6-6.6 10136/3.0=47, ~11478=39...(15) QB ALA 15 - HA VAL 112 far 11 76 15 - 2.9-43.1 QB ALA 16 - HA VAL 112 far 9 95 10 - 3.5-40.7 QB ALA 108 - HA VAL 112 far 7 71 10 - 7.3-12.3 HG2 LYS 26 - HA VAL 112 far 0 68 0 - 9.6-33.3 Violated in 0 structures by 0.00 A. Peak 11552 from aliabs.peaks (1.13, 0.96, 20.76 ppm; 3.07 A): 1 out of 5 assignments used, quality = 1.00: QG2 THR 115 + QG1 VAL 112 OK 100 100 100 100 1.7-3.5 10194=100, 11553/2.1=59...(23) HB3 LEU 62 - QG1 VAL 112 far 0 97 0 - 6.1-12.4 QG2 THR 115 - QG1 VAL 105 far 0 70 0 - 7.5-13.2 HG12 ILE 32 - QG1 VAL 105 far 0 49 0 - 8.4-20.3 HB3 LEU 62 - QG1 VAL 105 far 0 65 0 - 10.0-12.8 Violated in 1 structures by 0.02 A. Peak 11553 from aliabs.peaks (1.13, 0.92, 20.13 ppm; 3.17 A): 1 out of 2 assignments used, quality = 0.89: QG2 THR 115 + QG2 VAL 112 OK 89 100 90 99 2.7-4.9 10194/2.1=74...(15) HB3 LEU 62 - QG2 VAL 112 far 0 87 0 - 6.5-13.7 Violated in 18 structures by 0.61 A. Peak 11554 from aliabs.peaks (2.26, 4.42, 59.83 ppm; 5.10 A): 1 out of 3 assignments used, quality = 0.98: HB3 PRO 113 + HA VAL 112 OK 98 98 100 100 4.8-4.8 3.0/3567=97, 3.0/3568=97...(48) HG2 GLN 61 - HA VAL 112 far 0 90 0 - 8.0-19.1 HB VAL 105 - HA VAL 112 far 0 100 0 - 9.4-19.2 Violated in 0 structures by 0.00 A. Peak 11555 from aliabs.peaks (2.81, 4.42, 59.83 ppm; 6.53 A): 0 out of 0 assignments used, quality = 0.00: Peak 11556 from aliabs.peaks (0.97, 3.94, 50.81 ppm; 3.95 A): 1 out of 7 assignments used, quality = 1.00: QG1 VAL 112 + HD3 PRO 113 OK 100 100 100 100 2.8-3.4 10124=99, 10125/1.8=90...(41) QG1 VAL 112 - HD3 PRO 117 far 4 72 5 - 5.3-10.2 QG1 VAL 57 - HD3 PRO 113 far 3 63 5 - 5.3-15.2 QD2 LEU 53 - HD3 PRO 113 far 0 100 0 - 7.4-17.3 QD2 LEU 53 - HD3 PRO 117 far 0 72 0 - 7.9-14.9 QG1 VAL 105 - HD3 PRO 113 far 0 89 0 - 8.2-17.5 QG1 VAL 105 - HD3 PRO 117 far 0 59 0 - 9.0-16.1 Violated in 0 structures by 0.00 A. Peak 11557 from aliabs.peaks (0.97, 3.70, 50.81 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.99: QG1 VAL 112 + HD2 PRO 113 OK 99 99 100 100 1.7-2.1 10125=98, 10124/1.8=77...(41) QD2 LEU 53 - HD2 PRO 113 far 0 99 0 - 8.0-17.1 QG1 VAL 105 - HD2 PRO 113 far 0 85 0 - 9.5-17.7 Violated in 0 structures by 0.00 A. Peak 11558 from aliabs.peaks (1.13, 3.70, 50.81 ppm; 5.77 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 115 + HD2 PRO 113 OK 100 100 100 100 2.3-5.3 10194/10125=100...(23) HB3 LEU 62 - HD2 PRO 113 far 0 93 0 - 8.1-14.6 Violated in 0 structures by 0.00 A. Peak 11559 from aliabs.peaks (1.38, 3.70, 50.81 ppm; 5.87 A): 2 out of 7 assignments used, quality = 0.71: QB ALA 109 + HD2 PRO 113 OK 60 100 60 100 4.4-10.8 10135/10125=82...(7) QB ALA 110 + HD2 PRO 113 OK 29 100 35 84 6.2-8.4 11496/10131=39...(5) QB ALA 15 - HD2 PRO 113 far 15 100 15 - 3.8-42.9 QB ALA 16 - HD2 PRO 113 far 10 99 10 - 5.2-41.6 HG2 LYS 19 - HD2 PRO 113 far 0 95 0 - 7.9-47.9 QB ALA 12 - HD2 PRO 113 far 0 73 0 - 8.8-43.4 QB ALA 108 - HD2 PRO 113 far 0 100 0 - 8.9-14.0 Violated in 16 structures by 0.46 A. Peak 11560 from aliabs.peaks (1.13, 3.94, 50.81 ppm; 5.62 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 115 + HD3 PRO 113 OK 100 100 100 100 3.6-5.7 10194/10124=99...(25) QG2 THR 115 + HD3 PRO 117 OK 68 73 95 98 3.6-7.2 10179/3.8=71...(12) HB3 LEU 62 - HD3 PRO 113 far 9 87 10 - 6.5-13.5 HB3 LEU 62 - HD3 PRO 117 far 0 57 0 - 8.1-18.9 Violated in 0 structures by 0.00 A. Peak 11561 from aliabs.peaks (1.39, 3.94, 50.81 ppm; 5.91 A): 3 out of 11 assignments used, quality = 0.78: QB ALA 109 + HD3 PRO 113 OK 55 100 55 100 4.0-10.1 10135/10124=93...(8) QB ALA 110 + HD3 PRO 113 OK 37 99 45 84 6.2-8.3 11496/4.4=37...(5) QB ALA 109 + HD3 PRO 117 OK 24 73 35 94 2.5-12.8 10229/4.8=67...(6) QB ALA 108 - HD3 PRO 117 poor 17 67 25 - 3.9-15.1 QB ALA 15 - HD3 PRO 113 far 15 98 15 - 2.9-41.8 QB ALA 16 - HD3 PRO 113 far 10 100 10 - 5.2-40.8 HG2 LYS 19 - HD3 PRO 113 far 4 83 5 - 7.3-46.7 QB ALA 110 - HD3 PRO 117 lone 1 70 30 6 4.1-14.6 11582/3.8=3, 10226/4.8=2 HG2 LYS 24 - HD3 PRO 117 far 0 63 0 - 7.9-37.2 QB ALA 108 - HD3 PRO 113 far 0 97 0 - 8.2-13.6 HB3 LEU 100 - HD3 PRO 117 far 0 59 0 - 9.4-14.7 Violated in 11 structures by 0.36 A. Peak 11562 from aliabs.peaks (2.04, 4.42, 59.83 ppm; 4.32 A): 1 out of 10 assignments used, quality = 0.93: HG3 PRO 113 + HA VAL 112 OK 93 93 100 100 4.3-4.5 2.3/3567=95, 2.3/3568=94...(41) HG2 PRO 117 - HA VAL 112 far 5 99 5 - 4.3-14.6 HG3 PRO 117 - HA VAL 112 far 5 99 5 - 5.5-14.6 HG2 PRO 58 - HA VAL 112 far 0 89 0 - 7.1-18.5 HG3 PRO 58 - HA VAL 112 far 0 83 0 - 7.3-17.8 HB VAL 63 - HA VAL 112 far 0 78 0 - 7.8-16.6 HB2 LEU 62 - HA VAL 112 far 0 93 0 - 7.8-14.4 HB VAL 118 - HA VAL 112 far 0 78 0 - 8.2-13.3 HB3 GLU 55 - HA VAL 112 far 0 100 0 - 8.5-19.0 QE MET 11 - HA VAL 112 far 0 90 0 - 8.9-47.0 Violated in 20 structures by 0.06 A. Peak 11563 from aliabs.peaks (0.96, 4.36, 63.99 ppm; 3.92 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 112 + HA PRO 113 OK 100 100 100 100 3.7-4.8 10125/3.6=60...(19) QD1 LEU 119 + HA PRO 113 OK 23 68 60 56 1.7-7.7 10160/7591=25...(11) QG2 ILE 37 - HA CYS 73 poor 5 25 20 - 4.7-8.9 QG1 VAL 57 - HA PRO 113 far 4 78 5 - 5.0-12.9 QG2 VAL 126 - HA CYS 73 far 3 54 5 - 5.0-9.0 QD2 LEU 53 - HA PRO 113 far 0 100 0 - 5.8-14.6 QG1 VAL 126 - HA CYS 73 far 0 52 0 - 6.1-9.3 QG1 VAL 105 - HA PRO 113 far 0 97 0 - 9.8-16.0 Violated in 8 structures by 0.10 A. Peak 11564 from aliabs.peaks (0.90, 4.36, 63.99 ppm; 5.82 A): 1 out of 10 assignments used, quality = 0.85: QG2 VAL 112 + HA PRO 113 OK 85 85 100 100 5.1-5.8 10131/3.6=72...(17) QG1 VAL 118 - HA PRO 113 far 14 97 15 - 5.8-11.3 QD1 LEU 62 - HA PRO 113 poor 10 98 45 22 3.7-8.2 9347/11787=17...(3) QG2 VAL 63 - HA PRO 113 poor 9 99 40 23 5.8-10.3 9347/11787=21 QD2 LEU 123 - HA PRO 113 far 0 78 0 - 7.8-13.7 QD1 LEU 123 - HA PRO 113 far 0 81 0 - 8.4-14.6 QD2 LEU 98 - HA PRO 113 far 0 78 0 - 9.1-19.4 QD1 LEU 49 - HA CYS 73 far 0 52 0 - 9.1-10.5 QD1 LEU 48 - HA CYS 73 far 0 53 0 - 9.7-13.8 QD2 LEU 48 - HA PRO 113 far 0 98 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 11565 from aliabs.peaks (1.53, 4.36, 63.99 ppm; 4.86 A): 1 out of 5 assignments used, quality = 0.35: HB3 LEU 42 + HA CYS 73 OK 35 45 85 91 4.1-7.4 3.2/9102=40, ~9104=31...(14) HG LEU 69 - HA CYS 73 poor 19 46 40 - 5.7-8.2 HB2 LEU 119 - HA PRO 113 far 14 90 15 - 3.6-11.4 HG13 ILE 37 - HA CYS 73 far 2 32 5 - 5.8-12.2 HB2 LEU 53 - HA PRO 113 far 0 99 0 - 8.8-16.0 Violated in 18 structures by 0.85 A. Peak 11566 from aliabs.peaks (4.44, 1.91, 31.65 ppm; 4.42 A): 1 out of 6 assignments used, quality = 0.73: HA VAL 112 + HB2 PRO 113 OK 73 73 100 100 5.5-5.6 3566/3.0=61, 3568/3.0=61...(48) HA PRO 58 - HB2 PRO 113 lone 6 97 60 10 3.4-10.7 1864/2.3=4...(3) HA THR 54 - HB2 PRO 113 far 4 85 5 - 5.4-17.0 HA ASN 120 - HB2 PRO 113 far 0 83 0 - 7.4-15.8 HB THR 54 - HB2 PRO 113 far 0 81 0 - 7.7-18.7 HA SER 106 - HB2 PRO 113 far 0 93 0 - 8.1-20.0 Violated in 20 structures by 1.10 A. Peak 11567 from aliabs.peaks (4.43, 2.27, 31.65 ppm; 4.22 A): 2 out of 9 assignments used, quality = 0.99: HA VAL 112 + HB3 PRO 113 OK 97 97 100 100 4.8-4.8 3567/3.0=79, 3568/3.0=77...(48) HA SER 106 + HB VAL 105 OK 55 55 100 100 4.0-4.6 2.9/7537=72...(18) HA PRO 58 - HB3 PRO 113 lone 4 71 65 8 3.1-10.8 11566/1.8=5, 1864/2.3=2 HA THR 54 - HB3 PRO 113 far 0 100 0 - 6.0-17.9 HA SER 106 - HB3 PRO 113 far 0 63 0 - 6.3-20.2 HA MET 11 - HB VAL 105 far 0 85 0 - 6.5-56.0 HA ASN 120 - HB3 PRO 113 far 0 99 0 - 8.1-16.4 HA ASP 64 - HB VAL 105 far 0 72 0 - 9.4-15.1 HA VAL 112 - HB VAL 105 far 0 90 0 - 9.4-19.2 Violated in 0 structures by 0.00 A. Peak 11568 from aliabs.peaks (4.42, 1.93, 27.50 ppm; 4.44 A): 2 out of 5 assignments used, quality = 1.00: HA VAL 112 + HG2 PRO 113 OK 100 100 100 100 4.2-4.5 11545=99, 3567/2.3=96...(45) HA THR 115 + HG2 PRO 113 OK 42 85 50 99 4.2-8.2 11939/1.8=57, ~10189=41...(21) HA THR 54 - HG2 PRO 113 far 0 99 0 - 6.2-18.7 HA SER 107 - HG2 PRO 113 far 0 60 0 - 8.6-17.9 HA ASN 120 - HG2 PRO 113 far 0 100 0 - 9.6-16.6 Violated in 2 structures by 0.00 A. Peak 11569 from aliabs.peaks (4.43, 2.06, 27.50 ppm; 4.36 A): 2 out of 18 assignments used, quality = 0.97: HA VAL 112 + HG3 PRO 113 OK 95 95 100 100 4.3-4.5 3567/2.3=87, 3568/2.3=87...(41) HA PRO 58 + HG3 PRO 58 OK 52 52 100 100 3.9-4.0 3.8=100 HA PRO 58 - HG3 PRO 113 poor 16 78 20 - 2.4-13.0 HA THR 54 - HG3 PRO 113 far 5 99 5 - 5.8-19.6 HA VAL 112 - HG2 PRO 117 far 4 79 5 - 4.3-14.6 HA VAL 112 - HG3 PRO 117 far 4 79 5 - 5.5-14.6 HA MET 11 - HG3 PRO 58 far 0 61 0 - 6.7-45.7 HA SER 106 - HG3 PRO 113 far 0 71 0 - 6.8-20.2 HA ASN 120 - HB2 GLN 127 far 0 77 0 - 6.9-9.8 HA THR 54 - HB2 GLN 127 far 0 78 0 - 6.9-12.1 HA VAL 112 - HG3 PRO 58 far 0 67 0 - 7.3-17.8 HA SER 106 - HG2 PRO 117 far 0 56 0 - 8.5-17.5 HA ASN 120 - HG3 PRO 117 far 0 83 0 - 8.5-10.1 HA ASN 120 - HG2 PRO 117 far 0 83 0 - 8.6-9.8 HA SER 106 - HG3 PRO 117 far 0 56 0 - 8.8-17.7 HA ASP 64 - HG3 PRO 58 far 0 60 0 - 9.4-11.6 HA HIS 5 - HG3 PRO 81 far 0 61 0 - 9.6-65.7 HA ASN 120 - HG3 PRO 113 far 0 98 0 - 9.9-17.4 Violated in 0 structures by 0.00 A. Peak 11570 from aliabs.peaks (2.12, 3.70, 50.81 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: HB VAL 112 + HD2 PRO 113 OK 100 100 100 100 3.0-4.2 10130=94, 2.1/10125=72...(43) HB2 PRO 56 - HD2 PRO 113 far 9 93 10 - 3.7-15.2 HB VAL 57 - HD2 PRO 113 far 0 60 0 - 6.6-16.7 HB3 GLN 61 - HD2 PRO 113 far 0 87 0 - 9.5-18.4 Violated in 18 structures by 0.41 A. Peak 11571 from aliabs.peaks (2.13, 3.94, 50.81 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.92: HB VAL 112 + HD3 PRO 113 OK 92 92 100 100 4.2-5.0 2.1/10124=82...(42) HB2 PRO 56 - HD3 PRO 113 far 10 100 10 - 2.1-15.5 HB VAL 112 - HD3 PRO 117 far 0 62 0 - 6.2-11.1 HB3 GLN 61 - HD3 PRO 113 far 0 57 0 - 8.0-17.5 Violated in 20 structures by 0.98 A. Peak 11572 from aliabs.peaks (4.37, 4.12, 45.18 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: HA PRO 113 + HA3 GLY 114 OK 100 100 100 100 4.6-4.7 10150=99, 7591/2.9=98...(11) HA PRO 117 - HA3 GLY 114 poor 20 100 20 - 5.7-9.3 Violated in 0 structures by 0.00 A. Peak 11573 from aliabs.peaks (4.37, 3.88, 45.18 ppm; 3.68 A): 2 out of 9 assignments used, quality = 0.99: HA PRO 113 + HA2 GLY 114 OK 95 97 100 97 4.3-4.7 7591/2.9=73...(14) HA THR 115 + HA2 GLY 114 OK 73 73 100 100 4.3-4.9 3.0/7603=61...(17) HA SER 33 - HA3 GLY 75 far 6 59 10 - 4.3-18.4 HA SER 9 - HA3 GLY 75 far 4 72 5 - 3.3-45.9 HA ASP 78 - HA3 GLY 75 far 0 69 0 - 5.5-7.3 HA PRO 117 - HA2 GLY 114 far 0 97 0 - 5.6-9.2 HA CYS 73 - HA3 GLY 75 far 0 73 0 - 6.0-6.7 HA LEU 69 - HA3 GLY 75 far 0 40 0 - 9.7-10.8 HA SER 107 - HA2 GLY 114 far 0 93 0 - 9.9-18.4 Violated in 20 structures by 0.33 A. Peak 11574 from aliabs.peaks (4.11, 1.13, 21.32 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.98: HA3 GLY 114 + QG2 THR 115 OK 98 98 100 100 3.9-5.2 10164=90, 7604/7607=80...(11) HA GLN 104 - QG2 THR 115 far 10 68 15 - 5.7-11.8 Violated in 17 structures by 0.35 A. Peak 11575 from aliabs.peaks (3.95, 1.13, 21.32 ppm; 3.95 A): 2 out of 10 assignments used, quality = 0.76: HD3 PRO 113 + QG2 THR 115 OK 57 89 65 99 3.6-5.7 4.4/10194=53...(22) HD3 PRO 117 + QG2 THR 115 OK 45 100 55 81 3.6-7.2 10197/4.2=39...(10) HA3 GLY 111 - QG2 THR 115 poor 20 99 20 - 3.7-7.9 HA2 GLY 111 - QG2 THR 115 poor 16 78 20 - 4.0-7.5 HB3 SER 106 - QG2 THR 115 far 0 68 0 - 7.2-13.8 HB3 SER 107 - QG2 THR 115 far 0 99 0 - 7.3-14.7 HB2 SER 106 - QG2 THR 115 far 0 95 0 - 7.5-13.8 HA3 GLY 17 - QG2 THR 115 far 0 100 0 - 8.1-40.7 HA LEU 100 - QG2 THR 115 far 0 97 0 - 8.6-12.1 HA2 GLY 17 - QG2 THR 115 far 0 100 0 - 9.6-42.0 Violated in 15 structures by 0.49 A. Peak 11576 from aliabs.peaks (1.37, 4.40, 61.45 ppm; 4.71 A): 0 out of 4 assignments used, quality = 0.00: QB ALA 109 - HA THR 115 poor 18 92 20 - 4.9-14.0 QB ALA 110 - HA THR 115 far 5 97 5 - 5.7-12.7 QB ALA 108 - HA THR 115 far 0 99 0 - 8.3-15.1 QB ALA 21 - HA THR 115 far 0 68 0 - 9.3-36.8 Violated in 20 structures by 3.09 A. Peak 11577 from aliabs.peaks (0.97, 4.40, 61.45 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 112 + HA THR 115 OK 100 100 100 100 4.1-5.6 10194/3637=91...(28) QD2 LEU 53 - HA THR 115 far 0 100 0 - 8.4-15.9 QG1 VAL 57 - HA THR 115 far 0 65 0 - 9.3-15.6 Violated in 18 structures by 0.62 A. Peak 11578 from aliabs.peaks (0.79, 4.40, 61.45 ppm; 5.28 A): 2 out of 5 assignments used, quality = 0.53: QD2 LEU 119 + HA THR 115 OK 39 100 40 98 3.5-8.5 2.1/11623=79, ~10166=36...(11) QD1 LEU 103 + HA THR 115 OK 23 95 30 81 6.5-9.4 10232/10177=34...(7) QD1 LEU 53 - HA THR 115 far 0 100 0 - 9.1-14.9 QD2 LEU 122 - HA THR 115 far 0 99 0 - 9.6-13.3 QD1 LEU 122 - HA THR 115 far 0 96 0 - 9.7-13.4 Violated in 18 structures by 1.08 A. Peak 11579 from aliabs.peaks (1.87, 4.97, 51.55 ppm; 5.75 A): 1 out of 2 assignments used, quality = 0.85: HB3 LEU 119 + HA ASN 116 OK 85 100 85 100 5.2-8.5 10224/3.0=79...(29) HB3 LEU 123 - HA ASN 116 far 0 98 0 - 9.5-13.0 Violated in 18 structures by 0.81 A. Peak 11580 from aliabs.peaks (2.35, 4.97, 51.55 ppm; 5.59 A): 1 out of 3 assignments used, quality = 1.00: HB2 PRO 117 + HA ASN 116 OK 100 100 100 100 4.8-5.5 10248=100, 3.0/3667=98...(23) HG2 GLU 102 - HA ASN 116 far 0 63 0 - 8.0-13.8 HG2 GLN 104 - HA ASN 116 far 0 68 0 - 8.6-18.7 Violated in 0 structures by 0.00 A. Peak 11581 from aliabs.peaks (1.59, 4.97, 51.55 ppm; 5.38 A): 2 out of 4 assignments used, quality = 0.85: HB2 LEU 103 + HA ASN 116 OK 62 90 75 92 5.4-11.3 3.2/10232=48, ~11831=40...(9) HG LEU 119 + HA ASN 116 OK 60 63 95 100 3.7-7.1 ~10295=64, ~10294=64...(34) HB2 LEU 122 - HA ASN 116 far 0 92 0 - 8.2-11.3 HG LEU 122 - HA ASN 116 far 0 97 0 - 9.2-12.2 Violated in 9 structures by 0.14 A. Peak 11582 from aliabs.peaks (1.40, 4.97, 51.55 ppm; 6.15 A): 1 out of 6 assignments used, quality = 0.31: QB ALA 109 + HA ASN 116 OK 31 92 35 97 2.7-12.1 10229/2.9=87...(7) QB ALA 108 - HA ASN 116 lone 2 76 30 10 5.4-13.3 11541/10232=4...(3) QB ALA 110 - HA ASN 116 lone 2 83 35 7 4.4-13.0 10136/3654=3, 10226/3.0=1 HG2 LYS 24 - HA ASN 116 far 0 68 0 - 8.4-36.4 HB3 LEU 100 - HA ASN 116 far 0 60 0 - 9.5-13.8 QB ALA 15 - HA ASN 116 far 0 81 0 - 9.5-40.9 Violated in 14 structures by 2.03 A. Peak 11583 from aliabs.peaks (0.94, 4.97, 51.55 ppm; 4.75 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 119 + HA ASN 116 OK 100 100 100 100 3.6-5.4 10295/3.0=80...(34) QG1 VAL 112 + HA ASN 116 OK 34 73 50 92 4.1-8.3 10194/10179=39...(11) QD1 LEU 62 - HA ASN 116 poor 10 63 35 44 4.5-13.1 3779/11579=13...(8) QG2 VAL 112 - HA ASN 116 far 9 87 10 - 6.0-9.4 QD2 LEU 53 - HA ASN 116 far 0 71 0 - 7.2-14.1 QG1 VAL 57 - HA ASN 116 far 0 100 0 - 9.1-18.0 QD1 LEU 123 - HA ASN 116 far 0 90 0 - 9.4-12.5 QG1 VAL 105 - HA ASN 116 far 0 96 0 - 9.6-14.8 Violated in 2 structures by 0.05 A. Peak 11584 from aliabs.peaks (1.61, 2.93, 38.65 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.93: HG LEU 119 + HB3 ASN 116 OK 93 98 95 100 1.8-7.2 2.1/10295=96...(27) HB2 LEU 122 - HB3 ASN 116 far 0 100 0 - 6.8-11.0 HG LEU 122 - HB3 ASN 116 far 0 99 0 - 7.4-10.5 Violated in 11 structures by 0.24 A. Peak 11585 from aliabs.peaks (1.86, 2.93, 38.65 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.78: HB3 LEU 119 + HB3 ASN 116 OK 78 98 80 100 3.3-8.3 3.0/10295=95...(22) HB3 LEU 123 - HB3 ASN 116 far 0 90 0 - 8.1-12.4 Violated in 15 structures by 0.88 A. Peak 11586 from aliabs.peaks (2.06, 2.93, 38.65 ppm; 5.68 A): 3 out of 8 assignments used, quality = 1.00: HG2 PRO 117 + HB3 ASN 116 OK 99 99 100 100 3.6-6.9 2.3/10215=92...(34) HG3 PRO 117 + HB3 ASN 116 OK 99 99 100 100 4.4-6.8 2.3/10215=92...(33) HB VAL 118 + HB3 ASN 116 OK 99 99 100 100 2.8-5.5 3741/10285=68, ~10276=58...(16) HB2 LEU 62 - HB3 ASN 116 far 10 100 10 - 5.4-16.6 HG3 PRO 113 - HB3 ASN 116 far 5 100 5 - 7.0-12.3 HB2 GLU 102 - HB3 ASN 116 far 0 73 0 - 7.6-14.4 HB3 GLU 55 - HB3 ASN 116 far 0 90 0 - 8.8-21.2 HG3 PRO 58 - HB3 ASN 116 far 0 99 0 - 9.7-21.1 Violated in 0 structures by 0.00 A. Peak 11587 from aliabs.peaks (4.29, 4.97, 51.55 ppm; 5.09 A): 1 out of 5 assignments used, quality = 0.92: HB THR 115 + HA ASN 116 OK 92 92 100 100 4.0-6.3 7612/2.9=82, 10178=79...(15) HA ALA 109 - HA ASN 116 far 10 97 10 - 5.3-14.1 HA ALA 110 - HA ASN 116 far 5 100 5 - 3.4-15.3 HA ALA 108 - HA ASN 116 far 0 97 0 - 7.4-15.7 HA ALA 21 - HA ASN 116 far 0 99 0 - 9.3-41.7 Violated in 16 structures by 0.57 A. Peak 11588 from aliabs.peaks (4.36, 4.97, 51.55 ppm; 4.75 A): 1 out of 3 assignments used, quality = 0.99: HA PRO 117 + HA ASN 116 OK 99 99 100 100 4.4-4.6 4.8=95, 3.6/3667=79...(11) HA PRO 113 - HA ASN 116 poor 18 98 40 47 4.5-9.5 11506/11583=13...(9) HA ASN 59 - HA ASN 116 far 0 78 0 - 6.5-16.9 Violated in 0 structures by 0.00 A. Peak 11589 from aliabs.peaks (2.80, 2.01, 31.74 ppm; 4.50 A): 4 out of 4 assignments used, quality = 0.99: HB2 ASN 121 + HB3 PRO 117 OK 88 100 90 98 3.2-7.4 11604/11590=58...(23) HB2 ASN 120 + HB3 PRO 117 OK 65 100 65 100 4.3-7.5 10301/1.8=82...(16) HB3 ASP 64 + HB VAL 63 OK 49 49 100 100 4.1-6.0 10969/2.1=62...(16) HB3 ASN 120 + HB3 PRO 117 OK 40 100 40 100 4.8-7.7 ~10301=60, ~11561=41...(17) Violated in 2 structures by 0.02 A. Peak 11590 from aliabs.peaks (1.00, 2.01, 31.74 ppm; 3.99 A): 1 out of 5 assignments used, quality = 0.99: QG2 VAL 118 + HB3 PRO 117 OK 99 100 100 99 4.0-5.0 10272/2.3=52...(30) QG2 VAL 105 - HB VAL 63 far 0 49 0 - 6.2-9.4 QG2 VAL 118 - HB VAL 63 far 0 49 0 - 7.0-14.3 QD1 LEU 69 - HB VAL 63 far 0 49 0 - 8.8-12.1 QG2 VAL 105 - HB3 PRO 117 far 0 100 0 - 8.8-14.4 Violated in 20 structures by 0.51 A. Peak 11591 from aliabs.peaks (1.14, 2.05, 27.30 ppm; 4.30 A): 5 out of 15 assignments used, quality = 0.96: QG1 VAL 132 + HG3 ARG 135 OK 58 58 100 100 2.7-4.4 10534=62, 11659/2.9=48...(47) QG2 VAL 132 + HG3 ARG 135 OK 58 61 95 100 4.1-6.4 2.1/10534=47, ~10527=41...(47) QG2 THR 115 + HG3 PRO 113 OK 42 84 50 99 3.2-6.5 2.1/10189=62...(17) HG2 LYS 39 + HG3 PRO 81 OK 41 100 55 75 3.1-12.7 1174/2.3=11, ~1166=9...(27) QG2 VAL 132 + HG3 PRO 81 OK 28 100 40 71 4.6-8.9 11738/11226=19...(21) HG3 LYS 39 - HG3 PRO 81 poor 18 70 25 - 4.6-12.2 QG2 THR 115 - HG3 PRO 117 far 15 99 15 - 4.2-9.0 QG1 VAL 132 - HG3 PRO 81 far 15 98 15 - 5.3-8.3 QG2 THR 115 - HG2 PRO 117 far 10 99 10 - 3.1-9.0 HB3 LEU 62 - HG3 PRO 113 far 4 85 5 - 5.8-13.9 HG2 LYS 39 - HG3 ARG 135 far 0 61 0 - 6.8-12.2 HG3 LYS 39 - HG3 ARG 135 far 0 36 0 - 8.5-13.3 QG2 THR 18 - HG3 PRO 81 far 0 60 0 - 9.4-37.7 HB3 LEU 62 - HG2 PRO 117 far 0 99 0 - 9.6-18.8 HB3 LEU 62 - HG3 PRO 117 far 0 99 0 - 9.8-20.0 Violated in 0 structures by 0.00 A. Peak 11592 from aliabs.peaks (0.99, 2.05, 27.30 ppm; 4.34 A): 3 out of 14 assignments used, quality = 0.99: QG2 VAL 118 + HG2 PRO 117 OK 88 89 100 99 2.4-5.0 11528/2.3=62...(35) QG2 VAL 118 + HG3 PRO 117 OK 88 89 100 99 3.0-5.4 11528/2.3=62...(34) QG1 VAL 112 + HG3 PRO 113 OK 64 64 100 100 3.8-4.1 11504/2.3=80...(46) QG1 VAL 112 - HG2 PRO 117 far 4 81 5 - 4.1-11.6 QG1 VAL 112 - HG3 PRO 117 far 4 81 5 - 5.6-12.0 QD2 LEU 53 - HG3 PRO 113 far 0 66 0 - 6.2-17.6 QG2 VAL 105 - HG2 PRO 117 far 0 78 0 - 7.0-13.5 QG2 VAL 105 - HG3 PRO 117 far 0 78 0 - 7.5-14.5 QD2 LEU 53 - HG2 PRO 117 far 0 83 0 - 8.1-14.6 QG2 VAL 118 - HG3 PRO 113 far 0 72 0 - 8.2-13.1 QG2 VAL 105 - HG3 PRO 113 far 0 62 0 - 8.5-17.3 QD2 LEU 53 - HG3 PRO 117 far 0 83 0 - 8.8-15.6 QD1 LEU 69 - HG3 PRO 81 far 0 78 0 - 9.4-14.2 QD1 LEU 69 - HG3 ARG 135 far 0 41 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 11593 from aliabs.peaks (4.88, 3.86, 50.85 ppm; 4.77 A): 0 out of 0 assignments used, quality = 0.00: Peak 11594 from aliabs.peaks (2.96, 2.06, 31.39 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.97: HB3 ASN 121 + HB VAL 118 OK 97 97 100 100 4.4-4.9 11601/2.1=93...(31) HE3 LYS 24 - HB VAL 118 far 4 83 5 - 6.3-34.3 HE2 LYS 24 - HB VAL 118 far 0 93 0 - 7.0-32.9 Violated in 0 structures by 0.00 A. Peak 11595 from aliabs.peaks (2.79, 2.06, 31.39 ppm; 5.74 A): 3 out of 3 assignments used, quality = 0.99: HB2 ASN 121 + HB VAL 118 OK 98 98 100 100 5.5-6.6 11604/2.1=95...(34) HB2 ASN 120 + HB VAL 118 OK 38 93 45 91 7.0-8.8 11625/11542=48...(13) HB3 ASN 120 + HB VAL 118 OK 22 96 25 90 6.9-8.8 3.8/10298=37...(15) Violated in 13 structures by 0.06 A. Peak 11596 from aliabs.peaks (4.27, 2.06, 31.39 ppm; 4.79 A): 0 out of 6 assignments used, quality = 0.00: HA ALA 108 - HB VAL 118 far 10 99 10 - 5.9-14.5 HA ALA 109 - HB VAL 118 far 5 99 5 - 5.2-12.6 HA ALA 110 - HB VAL 118 far 5 93 5 - 5.8-16.0 HA ALA 21 - HB VAL 118 far 0 71 0 - 7.2-37.8 HB THR 115 - HB VAL 118 far 0 100 0 - 8.1-10.5 HA LEU 22 - HB VAL 118 far 0 100 0 - 8.1-34.5 Violated in 19 structures by 3.12 A. Peak 11597 from aliabs.peaks (4.38, 2.06, 31.39 ppm; 5.08 A): 2 out of 4 assignments used, quality = 0.92: HA PRO 117 + HB VAL 118 OK 90 90 100 100 5.3-5.9 10272/2.1=74, ~11590=66...(16) HA SER 107 + HB VAL 118 OK 22 98 25 92 6.2-12.8 ~11853=53, 3.0/11473=53...(5) HA PRO 113 - HB VAL 118 far 5 92 5 - 5.3-11.5 HA THR 115 - HB VAL 118 far 0 85 0 - 7.9-9.7 Violated in 19 structures by 0.36 A. Peak 11598 from aliabs.peaks (4.01, 0.89, 21.66 ppm; 3.28 A): 4 out of 11 assignments used, quality = 0.99: HB3 SER 99 + QG1 VAL 118 OK 86 93 100 92 1.8-4.4 3.0/11599=40, 11475=34...(22) HA LEU 119 + QG1 VAL 118 OK 72 93 100 77 3.0-4.0 ~3753=23, ~7650=23...(18) HA LEU 122 + QG1 VAL 118 OK 48 63 90 86 3.2-5.1 3.0/390=20, 4.9/10324=18...(22) HA LEU 103 + QG1 VAL 118 OK 33 100 35 95 4.2-6.2 11836=38, 3.0/11705=29...(17) HA LYS 95 - QG1 VAL 118 far 5 95 5 - 3.8-8.7 HB3 SER 124 - QG1 VAL 118 far 0 100 0 - 6.3-8.0 HA SER 50 - QG1 VAL 118 far 0 92 0 - 7.1-12.5 HB2 SER 124 - QG1 VAL 118 far 0 78 0 - 7.2-8.5 HA SER 60 - QG1 VAL 118 far 0 100 0 - 7.5-14.2 HA VAL 20 - QG1 VAL 118 far 0 81 0 - 9.6-30.5 HA GLN 68 - QG1 VAL 118 far 0 98 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 11599 from aliabs.peaks (4.24, 0.89, 21.66 ppm; 3.98 A): 1 out of 8 assignments used, quality = 0.92: HA SER 99 + QG1 VAL 118 OK 92 93 100 98 2.4-5.0 10271/2.1=66...(17) HA LEU 22 - QG1 VAL 118 far 0 65 0 - 7.2-27.7 HA SER 94 - QG1 VAL 118 far 0 100 0 - 7.2-11.0 HA SER 124 - QG1 VAL 118 far 0 100 0 - 7.3-9.3 HA GLN 27 - QG1 VAL 118 far 0 98 0 - 7.9-20.1 HA ALA 28 - QG1 VAL 118 far 0 99 0 - 9.7-17.1 HA ALA 29 - QG1 VAL 118 far 0 97 0 - 9.9-16.0 HA SER 51 - QG1 VAL 118 far 0 81 0 - 9.9-16.1 Violated in 9 structures by 0.20 A. Peak 11600 from aliabs.peaks (4.35, 0.89, 21.66 ppm; 5.20 A): 2 out of 6 assignments used, quality = 0.98: HA PRO 117 + QG1 VAL 118 OK 97 97 100 100 5.8-6.2 3.6/7641=72, ~11590=69...(16) HA ASN 59 + QG1 VAL 118 OK 22 83 60 45 5.4-11.6 9362/11722=18...(10) HA PRO 113 - QG1 VAL 118 far 10 97 10 - 5.8-11.3 HA LYS 24 - QG1 VAL 118 far 4 71 5 - 4.5-25.3 HA CYS 125 - QG1 VAL 118 far 0 100 0 - 7.3-9.2 HA LEU 69 - QG1 VAL 118 far 0 99 0 - 9.7-14.0 Violated in 18 structures by 0.33 A. Peak 11601 from aliabs.peaks (2.96, 0.89, 21.66 ppm; 4.43 A): 1 out of 5 assignments used, quality = 0.95: HB3 ASN 121 + QG1 VAL 118 OK 95 95 100 100 2.4-4.0 1.8/11602=79...(29) HE2 LYS 24 - QG1 VAL 118 far 5 97 5 - 5.6-26.1 HE3 LYS 24 - QG1 VAL 118 far 4 89 5 - 5.0-27.3 HE3 LYS 26 - QG1 VAL 118 far 0 100 0 - 9.0-19.6 HE2 LYS 26 - QG1 VAL 118 far 0 100 0 - 10.0-19.7 Violated in 0 structures by 0.00 A. Peak 11602 from aliabs.peaks (2.80, 0.89, 21.66 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: HB2 ASN 121 + QG1 VAL 118 OK 100 100 100 100 3.7-5.4 10306=95, 11604/2.1=79...(38) HB2 ASN 120 - QG1 VAL 118 far 0 100 0 - 5.9-7.5 HB3 ASN 120 - QG1 VAL 118 far 0 100 0 - 6.1-7.4 HB3 ASP 64 - QG1 VAL 118 far 0 100 0 - 8.7-15.5 Violated in 10 structures by 0.26 A. Peak 11603 from aliabs.peaks (2.96, 1.00, 22.19 ppm; 4.08 A): 2 out of 6 assignments used, quality = 0.95: HB3 ASN 121 + QG2 VAL 118 OK 89 89 100 100 2.8-3.7 1.8/11604=76...(32) HB3 ASN 116 + QG2 VAL 118 OK 54 65 90 91 2.5-6.6 3.0/10276=45...(15) HE2 LYS 24 - QG2 VAL 118 far 5 99 5 - 3.9-28.6 HE3 LYS 24 - QG2 VAL 118 far 5 95 5 - 3.2-29.8 HE3 LYS 26 - QG2 VAL 118 far 0 100 0 - 8.3-21.8 HE2 LYS 26 - QG2 VAL 118 far 0 100 0 - 9.3-22.1 Violated in 0 structures by 0.00 A. Peak 11604 from aliabs.peaks (2.80, 1.00, 22.19 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: HB2 ASN 121 + QG2 VAL 118 OK 100 100 100 100 3.9-4.7 10306/2.1=67...(35) HB2 ASN 120 - QG2 VAL 118 far 0 100 0 - 6.3-8.2 HB3 ASN 120 - QG2 VAL 118 far 0 100 0 - 6.7-8.1 Violated in 16 structures by 0.23 A. Peak 11605 from aliabs.peaks (4.48, 3.81, 64.89 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: HA ASN 121 + HA VAL 118 OK 100 100 100 100 4.4-4.9 3.0/3735=91, 2.9/7689=90...(35) Violated in 0 structures by 0.00 A. Peak 11606 from aliabs.peaks (2.22, 0.89, 21.66 ppm; 3.95 A): 0 out of 12 assignments used, quality = 0.00: HB3 GLN 104 - QG1 VAL 118 far 15 99 15 - 3.8-11.0 HB2 GLN 104 - QG1 VAL 118 far 6 60 10 - 4.6-9.8 HB3 GLU 102 - QG1 VAL 118 far 5 97 5 - 5.3-7.3 HB3 LEU 96 - QG1 VAL 118 far 4 71 5 - 4.7-7.9 HB2 GLN 101 - QG1 VAL 118 far 0 96 0 - 6.1-8.5 HG2 GLU 97 - QG1 VAL 118 far 0 71 0 - 6.2-9.0 HB3 GLU 97 - QG1 VAL 118 far 0 100 0 - 6.7-8.1 HB3 GLN 127 - QG1 VAL 118 far 0 100 0 - 8.4-12.3 HG2 GLU 91 - QG1 VAL 118 far 0 99 0 - 8.7-15.7 HB2 GLN 68 - QG1 VAL 118 far 0 100 0 - 9.2-14.4 HG2 GLN 68 - QG1 VAL 118 far 0 100 0 - 9.5-15.7 HB3 GLU 128 - QG1 VAL 118 far 0 93 0 - 9.6-11.9 Violated in 19 structures by 0.87 A. Peak 11607 from aliabs.peaks (2.20, 1.00, 22.19 ppm; 3.81 A): 0 out of 5 assignments used, quality = 0.00: HB3 GLN 104 - QG2 VAL 118 far 3 65 5 - 5.1-13.3 HB2 GLN 104 - QG2 VAL 118 far 0 99 0 - 6.1-12.1 HB2 GLN 101 - QG2 VAL 118 far 0 98 0 - 6.6-10.0 HB3 GLU 97 - QG2 VAL 118 far 0 76 0 - 7.3-8.8 HG2 GLU 91 - QG2 VAL 118 far 0 93 0 - 9.0-15.7 Violated in 20 structures by 2.05 A. Peak 11608 from aliabs.peaks (2.34, 2.06, 31.39 ppm; 4.30 A): 0 out of 4 assignments used, quality = 0.00: HB2 PRO 117 - HB VAL 118 far 4 87 5 - 5.7-6.9 HG2 GLU 102 - HB VAL 118 far 0 96 0 - 6.2-11.0 HG2 GLN 27 - HB VAL 118 far 0 100 0 - 7.5-25.4 HG3 GLN 27 - HB VAL 118 far 0 99 0 - 8.6-24.2 Violated in 20 structures by 2.08 A. Peak 11609 from aliabs.peaks (1.79, 1.00, 22.19 ppm; 4.38 A): 3 out of 6 assignments used, quality = 1.00: HB3 LEU 103 + QG2 VAL 118 OK 95 100 95 100 2.1-8.9 3.2/10265=45, ~10069=43...(40) HB3 LEU 122 + QG2 VAL 118 OK 84 100 85 99 3.0-6.7 ~390=28, ~7718=22...(30) HG LEU 100 + QG2 VAL 118 OK 50 92 55 100 5.0-10.6 3.0/10264=72, ~10262=46...(19) HB3 LEU 98 - QG2 VAL 118 far 10 100 10 - 3.5-7.4 HB3 LYS 24 - QG2 VAL 118 far 3 68 5 - 4.3-26.5 HB3 LYS 26 - QG2 VAL 118 far 0 65 0 - 8.0-22.9 Violated in 1 structures by 0.07 A. Peak 11610 from aliabs.peaks (0.78, 3.81, 64.89 ppm; 4.38 A): 4 out of 8 assignments used, quality = 0.95: QD2 LEU 122 + HA VAL 118 OK 73 99 75 99 3.3-7.0 2.1/11104=32...(43) QD1 LEU 122 + HA VAL 118 OK 55 65 85 99 3.5-6.3 4.3/7718=36...(43) QD1 LEU 103 + HA VAL 118 OK 50 100 50 100 4.3-9.5 10069/3.0=77...(29) QD2 LEU 119 + HA VAL 118 OK 24 97 25 99 3.8-6.8 3790/4.9=50, 3789/3.5=39...(22) QD1 LEU 53 - HA VAL 118 poor 8 93 25 36 5.0-10.5 3759/4.9=8, 1677/3.5=7...(10) QG1 VAL 63 - HA VAL 118 far 0 100 0 - 8.1-13.3 QD1 LEU 96 - HA VAL 118 far 0 99 0 - 8.1-10.6 QD2 LEU 49 - HA VAL 118 far 0 87 0 - 8.6-11.6 Violated in 3 structures by 0.02 A. Peak 11611 from aliabs.peaks (0.77, 2.06, 31.39 ppm; 3.32 A): 2 out of 8 assignments used, quality = 0.94: QD1 LEU 103 + HB VAL 118 OK 91 97 95 99 1.9-8.0 10069=81, 2.1/11826=40...(33) QD2 LEU 122 + HB VAL 118 OK 29 90 35 93 2.6-7.8 11612/2.1=20...(37) QD2 LEU 119 - HB VAL 118 poor 20 85 30 78 3.2-5.6 2.1/11624=26...(17) QD1 LEU 53 - HB VAL 118 far 8 76 10 - 4.0-11.3 QG1 VAL 63 - HB VAL 118 far 0 96 0 - 5.9-12.2 QD2 LEU 49 - HB VAL 118 far 0 65 0 - 8.3-12.3 QD1 LEU 96 - HB VAL 118 far 0 100 0 - 8.4-10.6 QD2 LEU 96 - HB VAL 118 far 0 81 0 - 8.7-11.2 Violated in 11 structures by 0.35 A. Peak 11612 from aliabs.peaks (0.79, 0.89, 21.66 ppm; 2.76 A): 4 out of 11 assignments used, quality = 0.99: QD2 LEU 122 + QG1 VAL 118 OK 80 100 95 84 1.5-5.1 3.1/390=14...(35) QD1 LEU 103 + QG1 VAL 118 OK 76 100 80 95 2.9-6.5 10069/2.1=41...(24) QD1 LEU 122 + QG1 VAL 118 OK 66 83 95 83 1.6-4.7 3.1/390=13, 10265/2.1=9...(34) QD2 LEU 119 + QG1 VAL 118 OK 24 100 40 61 3.0-5.7 3789/4.1=13, ~11624=10...(14) QD1 LEU 53 - QG1 VAL 118 lone 2 99 25 10 2.6-9.0 1677/4.1=2, 3907/7752=2...(6) QD1 LEU 70 - QG1 VAL 118 far 0 68 0 - 4.3-8.1 QG1 VAL 63 - QG1 VAL 118 far 0 100 0 - 4.5-9.3 QD1 LEU 96 - QG1 VAL 118 far 0 95 0 - 5.4-7.2 QD2 LEU 49 - QG1 VAL 118 far 0 97 0 - 5.5-8.9 QD1 ILE 32 - QG1 VAL 118 far 0 87 0 - 7.5-12.1 QD1 ILE 37 - QG1 VAL 118 far 0 87 0 - 9.4-14.6 Violated in 2 structures by 0.05 A. Peak 11614 from aliabs.peaks (2.81, 4.03, 57.80 ppm; 5.45 A): 3 out of 4 assignments used, quality = 1.00: HB2 ASN 120 + HA LEU 119 OK 98 99 100 99 5.7-6.5 7670/3.6=39...(27) HB3 ASN 120 + HA LEU 119 OK 97 98 100 99 5.5-6.6 10293/3790=42...(27) HB2 ASN 121 + HA LEU 119 OK 37 96 40 97 6.4-7.8 3839/4.9=63...(16) HB3 ASP 64 - HA LEU 119 far 0 99 0 - 10.0-16.9 Violated in 0 structures by 0.00 A. Peak 11615 from aliabs.peaks (2.82, 1.54, 40.68 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.99: HB2 ASN 120 + HB2 LEU 119 OK 87 87 100 100 5.0-6.5 3.8/7664=65...(31) HB3 ASN 120 + HB2 LEU 119 OK 83 83 100 100 4.4-7.0 3.8/7664=65...(30) HB2 ASN 116 + HB2 LEU 119 OK 53 63 85 100 3.6-8.7 ~10295=92, 10294/3.0=90...(26) HB2 ASN 121 + HB2 LEU 119 OK 21 76 30 92 6.9-9.2 ~11554=49, 1.8/11617=40...(13) Violated in 0 structures by 0.00 A. Peak 11616 from aliabs.peaks (2.95, 1.87, 40.68 ppm; 5.78 A): 2 out of 2 assignments used, quality = 0.88: HB3 ASN 116 + HB3 LEU 119 OK 70 83 85 100 3.3-8.3 1.8/10224=92, ~10294=77...(22) HB3 ASN 121 + HB3 LEU 119 OK 61 73 90 93 5.9-7.3 10299/4.6=70...(13) Violated in 10 structures by 0.21 A. Peak 11617 from aliabs.peaks (2.95, 1.54, 40.68 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.95: HB3 ASN 116 + HB2 LEU 119 OK 83 83 100 100 4.2-8.2 ~10294=92, ~10224=91...(22) HB3 ASN 121 + HB2 LEU 119 OK 72 73 100 98 6.5-7.8 10299/4.6=86...(13) Violated in 7 structures by 0.03 A. Peak 11618 from aliabs.peaks (2.94, 1.62, 27.00 ppm; 5.10 A): 1 out of 32 assignments used, quality = 0.91: HB3 ASN 116 + HG LEU 119 OK 91 96 95 100 1.8-7.2 11584=90, 10295/2.1=85...(27) HD2 ARG 135 - HG2 ARG 84 poor 19 48 40 - 4.9-9.9 HE2 LYS 24 - HG LEU 22 poor 18 92 20 - 4.9-11.8 HE2 LYS 26 - HG3 ARG 23 poor 18 93 35 56 3.4-15.6 ~11449=11, ~3938=3...(15) HE3 LYS 19 - HG LEU 22 poor 18 89 20 - 5.3-13.7 HD2 ARG 135 - HG3 ARG 84 poor 18 39 45 - 4.2-8.2 HE3 LYS 26 - HG3 ARG 23 poor 13 88 25 58 5.1-16.8 ~11449=11, ~3938=3...(23) HE3 LYS 36 - HG3 ARG 23 far 9 91 10 - 5.1-25.4 HE2 LYS 36 - HG3 ARG 23 far 9 91 10 - 5.2-24.9 HE2 LYS 19 - HG LEU 22 far 9 89 10 - 5.2-13.8 HE2 LYS 26 - HG LEU 22 far 9 85 10 - 5.8-17.0 HE3 LYS 31 - HG3 ARG 23 far 5 98 5 - 5.1-21.5 HE3 LYS 19 - HG3 ARG 23 far 5 96 5 - 5.8-14.9 HE2 LYS 31 - HG3 ARG 23 far 5 93 5 - 5.8-20.4 HE3 LYS 26 - HG LEU 22 far 4 80 5 - 6.6-17.1 HE3 LYS 24 - HG LEU 22 lone 3 95 25 11 4.4-11.5 7.4/460=7, ~11944=2 HE2 LYS 19 - HG3 ARG 23 far 0 96 0 - 7.1-15.8 HB3 ASN 116 - HG LEU 122 far 0 62 0 - 7.4-10.5 HE2 LYS 24 - HG3 ARG 23 far 0 98 0 - 7.5-11.5 HE3 LYS 86 - HG2 ARG 84 far 0 59 0 - 7.5-11.1 HE3 LYS 24 - HG3 ARG 23 far 0 100 0 - 7.7-11.7 HE3 LYS 36 - HG LEU 70 far 0 80 0 - 7.8-17.1 HB2 CYS 45 - HG LEU 70 far 0 87 0 - 7.9-12.1 HE2 LYS 36 - HG LEU 70 far 0 80 0 - 7.9-16.7 HE3 LYS 86 - HG3 ARG 84 far 0 49 0 - 8.0-11.1 HE3 LYS 31 - HG LEU 22 far 0 92 0 - 8.5-23.4 HE2 LYS 31 - HG LEU 70 far 0 82 0 - 8.7-22.9 HE3 LYS 31 - HG LEU 70 far 0 89 0 - 9.2-22.1 HE2 LYS 31 - HG LEU 22 far 0 85 0 - 9.2-22.5 HE3 LYS 39 - HG3 ARG 84 far 0 43 0 - 9.6-18.3 HB2 CYS 45 - HG3 ARG 23 far 0 97 0 - 9.7-27.5 HB2 CYS 45 - HG LEU 122 far 0 64 0 - 9.8-14.8 Violated in 11 structures by 0.22 A. Peak 11619 from aliabs.peaks (2.77, 0.94, 25.07 ppm; 5.24 A): 0 out of 2 assignments used, quality = 0.00: HB2 ASN 121 - QD1 LEU 119 far 7 65 10 - 5.8-9.2 HB2 ASP 64 - QD1 LEU 119 far 0 83 0 - 9.5-13.6 Violated in 20 structures by 2.33 A. Peak 11621 from aliabs.peaks (4.17, 0.79, 23.00 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.68: HA LEU 53 + QD2 LEU 119 OK 68 97 75 94 1.9-12.1 1641=39, 1638/3.1=21...(28) HB THR 18 - QD2 LEU 119 far 0 95 0 - 9.1-35.0 HB THR 25 - QD2 LEU 119 far 0 81 0 - 9.5-23.3 Violated in 12 structures by 1.16 A. Peak 11622 from aliabs.peaks (4.29, 0.79, 23.00 ppm; 4.08 A): 0 out of 13 assignments used, quality = 0.00: HA ALA 110 - QD2 LEU 119 far 5 100 5 - 4.9-13.2 HA ALA 109 - QD2 LEU 119 far 5 97 5 - 4.0-12.1 HB THR 115 - QD2 LEU 119 far 5 90 5 - 3.6-9.3 HA GLN 61 - QD2 LEU 119 far 0 98 0 - 6.4-15.7 HA ALA 108 - QD2 LEU 119 far 0 97 0 - 6.5-13.2 HA ALA 21 - QD2 LEU 119 far 0 99 0 - 7.3-29.6 HA ALA 12 - QD2 LEU 119 far 0 100 0 - 8.9-36.7 HA LYS 26 - QD2 LEU 119 far 0 83 0 - 9.0-21.8 HA LEU 22 - QD2 LEU 119 far 0 76 0 - 9.0-26.6 HA THR 18 - QD2 LEU 119 far 0 99 0 - 9.3-33.1 HA THR 25 - QD2 LEU 119 far 0 100 0 - 9.3-21.4 HA ALA 16 - QD2 LEU 119 far 0 96 0 - 9.5-34.0 HA ALA 15 - QD2 LEU 119 far 0 98 0 - 9.6-36.1 Violated in 19 structures by 2.01 A. Peak 11623 from aliabs.peaks (4.40, 0.94, 25.07 ppm; 4.17 A): 1 out of 5 assignments used, quality = 0.72: HA THR 115 + QD1 LEU 119 OK 72 99 75 97 4.2-6.9 3638/11559=44...(14) HA THR 54 - QD1 LEU 119 poor 15 85 40 44 4.2-12.3 ~3789=8, ~9278=8...(9) HA VAL 112 - QD1 LEU 119 far 9 93 10 - 4.5-10.2 HA ASN 120 - QD1 LEU 119 far 9 87 10 - 4.5-6.1 HA SER 107 - QD1 LEU 119 far 5 90 5 - 3.7-14.0 Violated in 20 structures by 1.04 A. Peak 11624 from aliabs.peaks (2.06, 0.94, 25.07 ppm; 4.11 A): 2 out of 10 assignments used, quality = 0.95: HB VAL 118 + QD1 LEU 119 OK 86 100 90 96 2.7-5.7 3741/3797=47...(22) HB2 LEU 62 + QD1 LEU 119 OK 64 99 65 99 3.9-9.6 9395/2.1=32...(42) HG3 PRO 113 - QD1 LEU 119 far 15 99 15 - 3.8-11.1 HG3 PRO 117 - QD1 LEU 119 far 10 96 10 - 4.8-8.0 HG2 PRO 117 - QD1 LEU 119 far 10 96 10 - 5.2-7.4 HB VAL 57 - QD1 LEU 119 poor 5 68 30 24 4.7-12.3 4.0/6707=13, 2.1/1806=3...(6) HB3 GLU 55 - QD1 LEU 119 far 4 78 5 - 5.5-14.5 HB2 GLU 102 - QD1 LEU 119 far 0 87 0 - 6.5-13.1 HG3 PRO 58 - QD1 LEU 119 far 0 100 0 - 6.7-13.4 HB3 GLN 27 - QD1 LEU 119 far 0 100 0 - 9.4-22.3 Violated in 14 structures by 0.24 A. Peak 11625 from aliabs.peaks (4.37, 2.80, 37.41 ppm; 3.64 A): 2 out of 11 assignments used, quality = 0.74: HA PRO 117 + HB2 ASN 120 OK 62 96 65 98 3.9-6.7 11561=61, 2.3/10301=50...(17) HA PRO 117 + HB3 ASN 120 OK 33 97 35 98 3.8-6.2 11561/1.8=46...(17) HA GLN 134 - HB3 ASN 85 far 0 44 0 - 6.8-10.0 HA THR 115 - HB3 ASN 120 far 0 73 0 - 7.0-12.7 HA THR 115 - HB2 ASN 120 far 0 73 0 - 8.0-13.0 HA PRO 113 - HB3 ASN 120 far 0 97 0 - 8.0-15.1 HA CYS 125 - HB3 ASN 120 far 0 85 0 - 8.2-11.3 HA ASP 78 - HB3 ASN 85 far 0 61 0 - 8.3-12.0 HA PRO 113 - HB2 ASN 120 far 0 97 0 - 8.6-15.5 HA CYS 125 - HB2 ASN 120 far 0 84 0 - 9.0-11.0 HA CYS 73 - HB3 ASN 85 far 0 65 0 - 9.2-12.3 Violated in 20 structures by 0.50 A. Peak 11626 from aliabs.peaks (4.49, 2.80, 37.41 ppm; 3.64 A): 2 out of 4 assignments used, quality = 0.92: HA ASN 121 + HB3 ASN 120 OK 75 100 85 89 4.2-5.5 3831=30, 3831/1.8=20...(23) HA ASN 121 + HB2 ASN 120 OK 67 100 75 90 4.1-5.5 3831=26, 3831/1.8=23...(25) HB THR 54 - HB2 ASN 120 far 0 70 0 - 6.5-12.3 HB THR 54 - HB3 ASN 120 far 0 71 0 - 7.6-13.6 Violated in 20 structures by 0.56 A. Peak 11628 from aliabs.peaks (0.90, 4.42, 55.85 ppm; 3.80 A): 2 out of 8 assignments used, quality = 0.84: QD1 LEU 123 + HA ASN 120 OK 73 73 100 99 2.8-4.9 2.1/11632=69...(24) QD2 LEU 123 + HA ASN 120 OK 42 85 50 100 1.5-5.6 11632=76, 2.1/11631=53...(25) QD1 LEU 62 - HA ASN 120 far 14 96 15 - 4.0-9.1 QG1 VAL 118 - HA ASN 120 far 0 99 0 - 5.6-6.3 QD1 LEU 49 - HA ASN 120 far 0 97 0 - 5.6-8.5 QG2 VAL 63 - HA ASN 120 far 0 98 0 - 8.1-12.6 QD2 LEU 98 - HA ASN 120 far 0 85 0 - 8.2-13.1 QD2 LEU 48 - HA ASN 120 far 0 99 0 - 9.7-13.4 Violated in 8 structures by 0.15 A. Peak 11629 from aliabs.peaks (0.80, 4.42, 55.85 ppm; 4.65 A): 4 out of 9 assignments used, quality = 1.00: QD2 LEU 119 + HA ASN 120 OK 98 99 100 100 4.1-6.1 3790/4.9=57, 3796/2.9=52...(26) QD1 LEU 122 + HA ASN 120 OK 68 98 75 93 3.8-7.3 3899/7738=40...(16) QD1 LEU 53 + HA ASN 120 OK 67 100 90 75 2.5-7.1 3907/7738=20...(16) QD2 LEU 122 + HA ASN 120 OK 33 97 40 85 4.0-7.2 3907/7738=32...(15) QD2 LEU 49 - HA ASN 120 far 0 100 0 - 6.5-10.3 QD1 LEU 70 - HA ASN 120 far 0 92 0 - 8.0-12.9 QD1 LEU 103 - HA ASN 120 far 0 90 0 - 8.3-10.8 QD1 LEU 96 - HA ASN 120 far 0 73 0 - 8.7-11.3 QG1 VAL 63 - HA ASN 120 far 0 92 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 11630 from aliabs.peaks (4.42, 1.57, 26.88 ppm; 4.88 A): 3 out of 12 assignments used, quality = 1.00: HA ASN 120 + HG LEU 123 OK 99 99 100 100 2.6-5.2 11632/2.1=95...(22) HA THR 54 + HG LEU 123 OK 46 99 50 93 2.9-9.3 9277/2.1=39, ~9275=33...(9) HA SER 107 + HG LEU 103 OK 21 59 50 72 5.5-8.8 ~10106=24, ~10106=17...(17) HA SER 107 - HG2 ARG 23 far 3 62 5 - 5.4-37.3 HA VAL 112 - HG LEU 103 far 0 96 0 - 7.2-14.2 HA THR 115 - HG LEU 103 far 0 82 0 - 8.7-13.4 HA THR 54 - HG2 ARG 23 far 0 96 0 - 8.9-36.8 HA SER 33 - HG2 ARG 23 far 0 70 0 - 9.0-25.8 HA ASN 120 - HG LEU 49 far 0 96 0 - 9.0-12.6 HA THR 54 - HG LEU 49 far 0 96 0 - 9.1-12.1 HA ASN 120 - HG LEU 103 far 0 94 0 - 9.7-13.3 HA MET 11 - HG2 ARG 23 far 0 98 0 - 9.7-20.6 Violated in 0 structures by 0.00 A. Peak 11631 from aliabs.peaks (4.43, 0.93, 23.87 ppm; 3.92 A): 2 out of 8 assignments used, quality = 1.00: HA ASN 120 + QD1 LEU 123 OK 99 100 100 100 2.8-4.9 11565/2.1=71...(24) HA THR 54 + QD1 LEU 123 OK 25 100 30 82 2.1-7.1 1698/9275=29, 9277=21...(10) HA MET 11 - QD1 LEU 48 far 0 46 0 - 6.1-32.4 HA ASP 64 - QD1 LEU 48 far 0 33 0 - 7.3-13.8 HA PRO 58 - QD1 LEU 123 far 0 65 0 - 8.0-14.7 HA HIS 5 - QD1 LEU 48 far 0 42 0 - 8.6-46.7 HA ASP 64 - QD1 LEU 123 far 0 76 0 - 9.3-14.1 HA THR 54 - QD1 LEU 48 far 0 52 0 - 9.5-12.4 Violated in 7 structures by 0.10 A. Peak 11632 from aliabs.peaks (4.41, 0.88, 25.15 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.44: HA ASN 120 + QD2 LEU 123 OK 44 99 45 100 1.5-5.6 11565=81, 3813/3.2=49...(25) HA THR 54 - QD2 LEU 123 poor 20 98 20 - 3.1-9.0 HA SER 107 - QD2 LEU 123 far 0 68 0 - 9.0-13.8 Violated in 19 structures by 1.39 A. Peak 11633 from aliabs.peaks (2.10, 1.65, 41.13 ppm; 6.78 A): 1 out of 5 assignments used, quality = 0.99: HB VAL 126 + HB2 LEU 123 OK 99 99 100 100 4.9-7.6 3917/3.0=98, ~10393=79...(20) HB VAL 57 - HB2 LEU 123 far 10 97 10 - 7.4-12.2 HB2 GLU 128 - HB2 LEU 123 far 0 83 0 - 9.0-11.5 HB3 GLN 61 - HB2 LEU 123 far 0 100 0 - 9.4-15.0 HB2 GLN 61 - HB2 LEU 123 far 0 100 0 - 9.6-14.5 Violated in 7 structures by 0.14 A. Peak 11634 from aliabs.peaks (4.43, 3.85, 58.17 ppm; 6.09 A): 2 out of 7 assignments used, quality = 0.99: HA ASN 120 + HA LEU 123 OK 98 98 100 100 5.0-5.9 7738/2.9=96, 3813/3.0=94...(15) HA ASP 64 + HA LEU 62 OK 38 45 100 84 6.5-7.1 3.6/1969=42, 2.9/9383=32...(7) HA PRO 58 - HA LEU 62 poor 16 39 40 - 7.2-8.3 HA THR 54 - HA LEU 123 far 10 99 10 - 6.1-11.5 HA ASN 120 - HA LEU 62 far 0 55 0 - 7.6-13.0 HA THR 54 - HA LEU 62 far 0 56 0 - 8.8-12.5 HA ASP 64 - HA LEU 123 far 0 87 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 11635 from aliabs.peaks (4.22, 3.85, 58.17 ppm; 5.86 A): 1 out of 11 assignments used, quality = 0.89: HA SER 124 + HA LEU 123 OK 89 89 100 100 4.7-4.9 4.9=100 HA ALA 29 - HA LEU 62 far 3 59 5 - 7.3-18.5 HA GLU 30 - HA LEU 62 far 3 53 5 - 6.9-19.2 HA ALA 28 - HA LEU 62 far 2 45 5 - 6.1-19.2 HA GLN 27 - HA LEU 62 far 0 41 0 - 7.8-21.1 HA HIS 67 - HA LEU 123 far 0 85 0 - 7.8-10.9 HA HIS 67 - HA LEU 62 far 0 44 0 - 8.4-9.5 HA SER 99 - HA LEU 123 far 0 100 0 - 9.0-12.1 HA SER 51 - HA LEU 123 far 0 98 0 - 9.2-10.6 HA SER 51 - HA LEU 62 far 0 55 0 - 9.3-12.3 HA SER 124 - HA LEU 62 far 0 46 0 - 9.7-14.9 Violated in 0 structures by 0.00 A. Peak 11636 from aliabs.peaks (4.00, 0.88, 25.15 ppm; 3.54 A): 2 out of 11 assignments used, quality = 0.96: HA SER 50 + QD2 LEU 123 OK 90 99 100 91 1.7-4.8 11874/2.1=42, 340=22...(30) HA LEU 119 + QD2 LEU 123 OK 55 76 80 91 3.2-6.1 4.9/11632=29...(32) HB3 SER 124 - QD2 LEU 123 far 5 97 5 - 4.8-6.3 HB2 SER 124 - QD2 LEU 123 far 0 95 0 - 5.8-7.0 HB3 SER 99 - QD2 LEU 123 far 0 100 0 - 6.1-9.5 HB3 SER 51 - QD2 LEU 123 far 0 81 0 - 6.2-8.6 HA ILE 37 - QD2 LEU 123 far 0 87 0 - 8.2-18.8 HA GLN 68 - QD2 LEU 123 far 0 100 0 - 8.4-12.5 HA LEU 103 - QD2 LEU 123 far 0 96 0 - 8.6-12.0 HA SER 60 - QD2 LEU 123 far 0 99 0 - 8.7-13.5 HA LYS 95 - QD2 LEU 123 far 0 78 0 - 9.8-11.9 Violated in 7 structures by 0.14 A. Peak 11637 from aliabs.peaks (2.47, 0.93, 23.87 ppm; 3.77 A): 1 out of 7 assignments used, quality = 0.90: HG3 GLN 127 + QD1 LEU 123 OK 90 96 95 99 1.6-6.0 1.8/11638=71, 10437=48...(20) HG3 GLU 44 - QD1 LEU 48 poor 12 41 30 - 4.5-8.4 HG2 GLU 55 - QD1 LEU 123 far 0 85 0 - 5.5-9.4 HG3 GLN 127 - QD1 LEU 48 far 0 46 0 - 5.9-10.2 HG2 MET 11 - QD1 LEU 48 far 0 33 0 - 8.0-30.9 HG2 GLU 55 - QD1 LEU 48 far 0 38 0 - 8.2-10.9 HG3 GLN 104 - QD1 LEU 123 far 0 99 0 - 9.2-16.5 Violated in 6 structures by 0.25 A. Peak 11638 from aliabs.peaks (2.34, 0.93, 23.87 ppm; 3.90 A): 1 out of 11 assignments used, quality = 0.94: HG2 GLN 127 + QD1 LEU 123 OK 94 100 95 99 1.7-5.5 1.8/11637=78, 10727=51...(20) HG2 GLU 44 - QD1 LEU 48 poor 17 29 60 - 3.1-7.5 HG2 GLN 27 - QD1 LEU 48 far 8 52 15 - 3.0-19.6 HG3 GLN 27 - QD1 LEU 48 far 5 51 10 - 2.0-18.6 HG3 GLN 68 - QD1 LEU 48 far 2 33 5 - 4.5-10.3 HG2 GLN 127 - QD1 LEU 48 far 0 52 0 - 6.4-10.1 HG2 GLU 128 - QD1 LEU 123 far 0 100 0 - 6.7-10.7 HB2 PRO 117 - QD1 LEU 123 far 0 90 0 - 9.2-11.7 HG3 GLN 68 - QD1 LEU 123 far 0 76 0 - 9.4-13.9 HG3 GLN 27 - QD1 LEU 123 far 0 100 0 - 9.7-22.2 HG2 GLU 44 - QD1 LEU 123 far 0 68 0 - 9.9-14.7 Violated in 4 structures by 0.10 A. Peak 11639 from aliabs.peaks (0.78, 0.88, 25.15 ppm; 3.40 A): 5 out of 10 assignments used, quality = 1.00: QD2 LEU 49 + QD2 LEU 123 OK 83 90 95 97 1.7-6.1 2.1/3948=34, 2.1/3957=18...(53) QD2 LEU 122 + QD2 LEU 123 OK 79 100 100 80 1.7-4.7 3907/3944=18...(30) QD1 LEU 53 + QD2 LEU 123 OK 69 96 100 72 1.7-4.7 11571/3.2=11...(29) QD1 LEU 122 + QD2 LEU 123 OK 51 71 100 72 1.9-4.0 3899/3944=13...(27) QD2 LEU 119 + QD2 LEU 123 OK 51 99 60 86 2.8-7.6 3791/2.1=15...(36) QD1 LEU 96 - QD2 LEU 123 far 0 99 0 - 5.4-8.1 QD1 ILE 37 - QD2 LEU 123 far 0 95 0 - 5.7-13.0 QG1 VAL 63 - QD2 LEU 123 far 0 100 0 - 5.8-9.8 QD1 ILE 32 - QD2 LEU 123 far 0 95 0 - 6.2-12.0 QD1 LEU 103 - QD2 LEU 123 far 0 100 0 - 6.2-9.2 Violated in 0 structures by 0.00 A. Peak 11640 from aliabs.peaks (1.24, 0.93, 23.87 ppm; 3.80 A): 3 out of 4 assignments used, quality = 0.79: QG2 THR 54 + QD1 LEU 123 OK 50 100 60 83 2.4-6.4 9275=39, 9275/2.1=37...(12) QG2 THR 65 + QD1 LEU 123 OK 36 95 45 86 3.5-7.6 11510/2.1=50...(19) QG2 THR 65 + QD1 LEU 48 OK 33 45 75 98 1.8-6.7 9441/2.1=57...(26) QG2 THR 54 - QD1 LEU 48 far 0 52 0 - 7.4-11.2 Violated in 3 structures by 0.03 A. Peak 11641 from aliabs.peaks (0.76, 4.24, 61.34 ppm; 4.90 A): 4 out of 13 assignments used, quality = 1.00: QD1 LEU 96 + HA SER 94 OK 87 89 100 99 3.7-6.1 11451/11458=41...(23) QG1 VAL 93 + HA SER 94 OK 85 85 100 100 2.9-5.1 9963=91, 2.1/9956=82...(23) QD2 LEU 96 + HA SER 94 OK 83 83 100 99 3.1-5.8 11806/4.9=47...(22) QD2 LEU 122 + HA SER 124 OK 39 76 60 86 5.5-8.0 ~10371=21, 10373/3.0=20...(16) QD2 LEU 96 - HA SER 124 far 0 93 0 - 6.5-10.0 QD1 LEU 96 - HA SER 124 far 0 97 0 - 7.2-9.6 QD2 LEU 119 - HA SER 124 far 0 68 0 - 7.3-10.8 QD1 ILE 32 - HA SER 94 far 0 92 0 - 7.3-17.0 QD2 LEU 122 - HA SER 94 far 0 66 0 - 7.3-11.1 HG12 ILE 129 - HA SER 94 far 0 78 0 - 7.5-9.3 HG12 ILE 129 - HA SER 124 far 0 89 0 - 7.7-10.1 QD2 LEU 43 - HA SER 124 far 0 85 0 - 8.7-12.3 QG1 VAL 93 - HA SER 124 far 0 95 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 11642 from aliabs.peaks (0.87, 4.24, 61.34 ppm; 4.58 A): 3 out of 12 assignments used, quality = 0.99: QD2 LEU 123 + HA SER 124 OK 92 92 100 100 4.4-5.8 3951/2.9=51...(20) QD2 LEU 98 + HA SER 94 OK 75 82 100 92 3.6-5.9 11918/2.9=67...(9) QD1 LEU 98 + HA SER 94 OK 56 90 70 88 4.2-7.1 ~11918=45, 11469/4.9=39...(9) QD2 LEU 70 - HA SER 94 far 13 89 15 - 4.8-8.1 QD2 LEU 69 - HA SER 124 far 0 100 0 - 6.8-10.9 QG1 VAL 118 - HA SER 94 far 0 59 0 - 7.2-11.0 QG1 VAL 118 - HA SER 124 far 0 68 0 - 7.3-9.3 QD2 LEU 70 - HA SER 124 far 0 97 0 - 7.7-11.7 QG2 VAL 57 - HA SER 124 far 0 97 0 - 8.4-13.0 QD2 LEU 69 - HA SER 94 far 0 93 0 - 8.5-12.7 QD2 LEU 98 - HA SER 124 far 0 92 0 - 8.6-13.4 QD2 LEU 48 - HA SER 124 far 0 63 0 - 9.0-12.3 Violated in 2 structures by 0.01 A. Peak 11643 from aliabs.peaks (4.04, 4.36, 62.46 ppm; 4.43 A): 4 out of 5 assignments used, quality = 1.00: HA LEU 122 + HA CYS 125 OK 91 100 95 96 5.1-5.9 3.9/9259=31, 3865/3.0=31...(22) HA ALA 92 + HA CYS 125 OK 81 87 95 98 3.4-6.5 2.1/10376=75...(19) HA LEU 96 + HA CYS 125 OK 78 89 90 98 4.6-6.8 2.9/3984=30, 3994/3.0=27...(26) HB3 SER 124 + HA CYS 125 OK 65 73 100 89 4.5-5.4 ~7780=47, 3979/2.9=43...(11) HA LYS 95 - HA CYS 125 far 0 96 0 - 6.8-8.4 Violated in 0 structures by 0.00 A. Peak 11644 from aliabs.peaks (4.19, 4.36, 62.46 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 128 + HA CYS 125 OK 100 100 100 100 5.3-6.0 3.0/3986=84, 2.9/7839=81...(19) HA ALA 88 - HA CYS 125 far 0 90 0 - 7.5-11.2 Violated in 20 structures by 0.62 A. Peak 11645 from aliabs.peaks (3.43, 3.20, 26.80 ppm; 5.65 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 126 + HB3 CYS 125 OK 100 100 100 100 4.0-4.6 3.2/11683=88...(25) HA ILE 129 + HB3 CYS 125 OK 32 73 45 96 6.4-8.8 4.2/10388=73, ~7858=36...(9) Violated in 0 structures by 0.00 A. Peak 11646 from aliabs.peaks (3.43, 2.73, 26.80 ppm; 6.46 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 126 + HB2 CYS 125 OK 100 100 100 100 4.0-4.6 11639/10383=91, ~7795=82...(29) HA ILE 129 + HB2 CYS 125 OK 58 73 80 99 6.6-8.2 4.2/10383=88, ~7858=48...(12) Violated in 0 structures by 0.00 A. Peak 11647 from aliabs.peaks (2.35, 4.36, 62.46 ppm; 4.36 A): 2 out of 2 assignments used, quality = 0.95: HG2 GLU 128 + HA CYS 125 OK 94 99 95 100 2.7-5.9 1.8/11698=80...(21) HG2 GLN 127 + HA CYS 125 OK 27 99 35 78 4.6-6.9 7846/7839=28...(10) Violated in 11 structures by 0.30 A. Peak 11648 from aliabs.peaks (2.42, 4.36, 62.46 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.95: HG3 GLU 128 + HA CYS 125 OK 95 100 95 100 3.4-6.3 11698=99, 3.0/3986=78...(19) HG3 GLU 97 - HA CYS 125 far 0 90 0 - 9.3-11.0 Violated in 10 structures by 0.52 A. Peak 11649 from aliabs.peaks (1.65, 4.36, 62.46 ppm; 5.12 A): 0 out of 5 assignments used, quality = 0.00: HD2 LYS 95 - HA CYS 125 poor 20 100 20 - 3.2-9.7 HD3 LYS 95 - HA CYS 125 poor 20 99 20 - 4.9-8.8 QB ALA 88 - HA CYS 125 far 5 97 5 - 6.3-9.0 HB2 LEU 123 - HA CYS 125 far 0 100 0 - 7.4-8.5 HB2 LEU 69 - HA CYS 125 far 0 100 0 - 8.4-11.5 Violated in 19 structures by 0.71 A. Peak 11650 from aliabs.peaks (1.95, 4.36, 62.46 ppm; 4.89 A): 2 out of 3 assignments used, quality = 0.98: HB2 LYS 95 + HA CYS 125 OK 91 92 100 99 4.4-6.0 9948/10376=48...(22) HB3 LYS 95 + HA CYS 125 OK 80 96 85 98 5.1-6.7 11658/3.0=32...(22) HG LEU 53 - HA CYS 125 far 0 90 0 - 8.3-12.4 Violated in 5 structures by 0.08 A. Peak 11651 from aliabs.peaks (1.64, 2.73, 26.80 ppm; 4.55 A): 2 out of 8 assignments used, quality = 0.55: HD3 LYS 95 + HB2 CYS 125 OK 38 89 45 96 4.7-7.5 ~11449=30, 3.7/11652=29...(19) HD2 LYS 95 + HB2 CYS 125 OK 26 96 30 92 3.6-8.8 11449/1.8=34...(14) HB2 LEU 123 - HB2 CYS 125 far 0 99 0 - 6.7-9.0 HB2 LEU 69 - HB2 CYS 125 far 0 99 0 - 6.9-11.1 QB ALA 88 - HB2 CYS 125 far 0 81 0 - 7.0-10.1 HB2 LEU 98 - HB2 CYS 125 far 0 100 0 - 8.1-11.1 HD3 LYS 24 - HB2 CYS 125 far 0 97 0 - 8.7-30.5 HD2 LYS 24 - HB2 CYS 125 far 0 85 0 - 9.3-31.4 Violated in 19 structures by 1.15 A. Peak 11652 from aliabs.peaks (1.94, 2.73, 26.80 ppm; 4.48 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 95 + HB2 CYS 125 OK 98 100 100 98 2.3-5.1 11658/1.8=37...(22) HB3 LYS 95 + HB2 CYS 125 OK 98 100 100 98 3.3-5.9 11658/1.8=37...(23) HG LEU 53 - HB2 CYS 125 far 0 100 0 - 8.3-13.4 HB3 LEU 49 - HB2 CYS 125 far 0 76 0 - 8.7-13.1 HB3 ARG 90 - HB2 CYS 125 far 0 95 0 - 9.3-12.0 HB2 ARG 90 - HB2 CYS 125 far 0 71 0 - 9.5-12.5 Violated in 1 structures by 0.01 A. Peak 11653 from aliabs.peaks (1.79, 2.73, 26.80 ppm; 5.30 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 122 + HB2 CYS 125 OK 100 100 100 100 4.4-6.3 1.8/11595=44...(29) HB3 LEU 98 - HB2 CYS 125 poor 20 99 20 - 6.5-9.7 HG LEU 100 - HB2 CYS 125 far 0 89 0 - 7.6-11.1 Violated in 11 structures by 0.40 A. Peak 11654 from aliabs.peaks (2.08, 2.73, 26.80 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.84: HB VAL 126 + HB2 CYS 125 OK 65 65 100 100 3.9-6.5 2.1/11684=73, ~11683=67...(22) HB2 GLU 128 + HB2 CYS 125 OK 55 100 55 100 4.5-7.5 3986/3.0=87...(21) HG3 GLU 91 - HB2 CYS 125 far 10 97 10 - 5.4-11.0 HB VAL 118 - HB2 CYS 125 far 0 90 0 - 8.7-11.7 Violated in 8 structures by 0.18 A. Peak 11655 from aliabs.peaks (2.24, 2.73, 26.80 ppm; 4.62 A): 2 out of 6 assignments used, quality = 1.00: HB3 LEU 96 + HB2 CYS 125 OK 100 100 100 100 1.9-5.0 ~9987=51, ~9987=44...(38) HB3 GLU 128 + HB2 CYS 125 OK 94 99 95 100 4.7-7.2 ~3986=53, ~4087=50...(27) HG2 GLU 91 - HB2 CYS 125 poor 13 63 20 - 5.0-10.2 HB3 GLN 127 - HB2 CYS 125 far 0 90 0 - 6.6-8.8 HG2 GLU 97 - HB2 CYS 125 far 0 100 0 - 6.7-8.9 HB3 GLU 97 - HB2 CYS 125 far 0 85 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 11656 from aliabs.peaks (1.64, 3.20, 26.80 ppm; 4.35 A): 2 out of 11 assignments used, quality = 0.52: HB2 LEU 122 + HB3 CYS 125 OK 31 57 55 99 4.7-7.8 ~11653=43, ~11828=37...(25) HD2 LYS 95 + HB3 CYS 125 OK 30 92 35 93 5.0-9.4 ~11651=31, 11651/1.8=30...(15) HD3 LYS 95 - HB3 CYS 125 poor 20 83 25 96 4.4-8.3 11651/1.8=43...(19) HG LEU 70 - HB3 CYS 125 far 0 65 0 - 6.4-9.6 HB2 LEU 123 - HB3 CYS 125 far 0 97 0 - 6.6-9.1 HB2 LEU 69 - HB3 CYS 125 far 0 97 0 - 7.1-10.7 QB ALA 88 - HB3 CYS 125 far 0 73 0 - 7.3-10.7 HB2 LEU 98 - HB3 CYS 125 far 0 99 0 - 8.0-11.1 HG LEU 62 - HB3 CYS 125 far 0 99 0 - 9.1-15.6 HD3 LYS 24 - HB3 CYS 125 far 0 93 0 - 9.3-31.1 HD2 LYS 24 - HB3 CYS 125 far 0 78 0 - 9.6-32.1 Violated in 20 structures by 1.05 A. Peak 11657 from aliabs.peaks (1.77, 3.20, 26.80 ppm; 5.02 A): 2 out of 5 assignments used, quality = 0.83: HB3 LEU 122 + HB3 CYS 125 OK 68 81 85 100 4.2-6.9 ~11828=49, 11653/1.8=46...(31) HG13 ILE 129 + HB3 CYS 125 OK 46 71 65 100 4.4-7.3 2.1/10388=84, ~10383=65...(14) HB3 LEU 98 - HB3 CYS 125 far 9 93 10 - 6.3-9.9 HG LEU 100 - HB3 CYS 125 far 0 100 0 - 7.5-10.7 HB3 LEU 103 - HB3 CYS 125 far 0 73 0 - 9.3-12.5 Violated in 4 structures by 0.04 A. Peak 11658 from aliabs.peaks (1.94, 3.20, 26.80 ppm; 4.63 A): 2 out of 6 assignments used, quality = 1.00: HB3 LYS 95 + HB3 CYS 125 OK 99 100 100 99 3.3-5.8 11447=42, 11652/1.8=41...(24) HB2 LYS 95 + HB3 CYS 125 OK 99 100 100 99 2.8-5.7 11447=42, 11652/1.8=41...(24) HG LEU 53 - HB3 CYS 125 far 0 100 0 - 8.7-13.0 HB3 LEU 49 - HB3 CYS 125 far 0 68 0 - 9.0-12.3 HB3 ARG 90 - HB3 CYS 125 far 0 97 0 - 9.4-13.5 HB2 ARG 90 - HB3 CYS 125 far 0 63 0 - 9.9-13.9 Violated in 2 structures by 0.02 A. Peak 11659 from aliabs.peaks (2.24, 3.20, 26.80 ppm; 4.98 A): 2 out of 6 assignments used, quality = 1.00: HB3 LEU 96 + HB3 CYS 125 OK 100 100 100 100 2.1-4.6 3.2/9987=80, 3.2/9989=68...(37) HB3 GLU 128 + HB3 CYS 125 OK 93 97 95 100 4.7-7.0 ~3986=61, ~4087=58...(23) HB3 GLN 127 - HB3 CYS 125 far 0 85 0 - 6.5-8.7 HG2 GLU 97 - HB3 CYS 125 far 0 100 0 - 6.8-9.1 HB3 GLU 97 - HB3 CYS 125 far 0 78 0 - 8.4-9.4 HB3 GLN 104 - HB3 CYS 125 far 0 87 0 - 9.9-17.8 Violated in 0 structures by 0.00 A. Peak 11661 from aliabs.peaks (2.62, 2.73, 26.80 ppm; 4.60 A): 0 out of 0 assignments used, quality = 0.00: Peak 11662 from aliabs.peaks (7.87, 3.43, 67.09 ppm; 5.76 A): 1 out of 2 assignments used, quality = 0.95: H GLU 128 + HA VAL 126 OK 95 95 100 100 4.4-4.9 4.2/4006=75, 7839/5.0=65...(21) H GLN 68 - HA VAL 126 far 0 100 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 11663 from aliabs.peaks (8.15, 2.11, 31.38 ppm; 5.31 A): 0 out of 2 assignments used, quality = 0.00: H ASP 71 - HB VAL 126 far 0 87 0 - 7.0-9.4 H VAL 133 - HB VAL 126 far 0 97 0 - 9.2-11.7 Violated in 20 structures by 2.41 A. Peak 11664 from aliabs.peaks (8.01, 0.96, 22.63 ppm; 4.56 A): 3 out of 7 assignments used, quality = 1.00: H ILE 129 + QG1 VAL 126 OK 97 97 100 100 4.6-5.4 4006/3.2=58...(18) H SER 130 + QG1 VAL 126 OK 77 78 100 99 4.0-6.0 4.6/11618=47...(15) H CYS 125 + QG1 VAL 126 OK 62 63 100 99 3.6-5.9 3.6/4015=50...(26) H SER 51 - QG1 VAL 126 far 0 65 0 - 6.4-10.0 H SER 94 - QG1 VAL 126 far 0 83 0 - 6.9-9.5 H ALA 52 - QG1 VAL 126 far 0 95 0 - 7.0-10.2 H VAL 57 - QG1 VAL 126 far 0 99 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 11665 from aliabs.peaks (8.48, 0.96, 22.63 ppm; 5.17 A): 3 out of 5 assignments used, quality = 0.79: H LEU 70 + QG1 VAL 126 OK 59 83 100 72 2.6-6.5 3.6/10395=19...(12) H GLU 97 + QG1 VAL 126 OK 33 96 50 69 4.8-7.7 4.4/11620=28...(7) H LEU 100 + QG1 VAL 126 OK 25 100 55 45 5.1-7.7 3257/10410=15...(7) H ASP 47 - QG1 VAL 126 poor 16 65 25 - 5.3-9.1 H VAL 132 - QG1 VAL 126 far 0 96 0 - 7.5-9.1 Violated in 6 structures by 0.05 A. Peak 11666 from aliabs.peaks (8.65, 0.96, 22.63 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.56: H SER 50 + QG1 VAL 126 OK 56 92 65 94 4.5-8.1 9213/10409=45...(14) Violated in 13 structures by 0.97 A. Peak 11667 from aliabs.peaks (8.02, 0.96, 24.06 ppm; 4.87 A): 3 out of 6 assignments used, quality = 1.00: H SER 130 + QG2 VAL 126 OK 93 95 100 98 4.1-5.9 10497=46, 10498/11616=43...(14) H CYS 125 + QG2 VAL 126 OK 85 85 100 100 3.4-6.0 3.6/4021=75...(28) H ILE 129 + QG2 VAL 126 OK 84 85 100 99 4.6-5.4 4006/3.2=57...(15) H LEU 48 - QG2 VAL 126 far 3 68 5 - 6.0-8.3 H ALA 52 - QG2 VAL 126 far 0 100 0 - 7.0-9.9 H SER 94 - QG2 VAL 126 far 0 60 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 11668 from aliabs.peaks (4.00, 2.11, 31.38 ppm; 4.55 A): 0 out of 8 assignments used, quality = 0.00: HA SER 50 - HB VAL 126 far 0 98 0 - 6.1-8.8 HB3 SER 99 - HB VAL 126 far 0 99 0 - 6.6-11.5 HB3 SER 124 - HB VAL 126 far 0 99 0 - 7.1-8.9 HB2 SER 124 - HB VAL 126 far 0 90 0 - 7.5-8.9 HA ILE 37 - HB VAL 126 far 0 92 0 - 7.6-17.5 HA LEU 119 - HB VAL 126 far 0 83 0 - 7.6-10.6 HA LYS 95 - HB VAL 126 far 0 85 0 - 7.9-12.6 HA GLN 68 - HB VAL 126 far 0 100 0 - 8.3-11.3 Violated in 20 structures by 1.36 A. Peak 11669 from aliabs.peaks (3.83, 3.43, 67.09 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.98: HB2 SER 130 + HA VAL 126 OK 86 95 95 96 4.8-6.9 ~11745=35, 3.9/7877=33...(15) HA LEU 123 + HA VAL 126 OK 83 85 100 98 5.3-6.0 3917/3.0=59, 3916/2.9=55...(19) HB2 SER 50 - HA VAL 126 far 0 99 0 - 7.2-10.0 Violated in 8 structures by 0.08 A. Peak 11670 from aliabs.peaks (4.23, 3.97, 58.71 ppm; 4.11 A): 2 out of 5 assignments used, quality = 0.62: HA ALA 88 + HA GLU 91 OK 52 56 95 99 5.1-5.7 9916/3.9=49...(13) HA SER 94 + HA GLU 91 OK 21 84 35 70 5.4-6.1 2.9/2857=30, 3.6/7297=26...(6) HA SER 124 - HA GLN 127 poor 19 95 20 - 5.4-6.0 HA SER 51 - HA GLN 127 far 0 95 0 - 8.2-11.4 HA ALA 28 - HA GLU 91 far 0 77 0 - 8.7-28.3 Violated in 20 structures by 0.80 A. Peak 11671 from aliabs.peaks (4.24, 2.34, 33.53 ppm; 3.77 A): 4 out of 27 assignments used, quality = 1.00: HA SER 124 + HG2 GLN 127 OK 98 100 100 98 2.0-4.5 11672/1.8=60...(15) HA GLN 27 + HG2 GLN 27 OK 96 96 100 100 2.4-3.8 3.7=100 HA GLN 27 + HG3 GLN 27 OK 95 95 100 100 2.3-3.7 3.7=100 HA LYS 26 + HG3 GLN 27 OK 22 62 60 60 4.0-6.2 3.6/6274=27...(9) HA LYS 26 - HG2 GLN 27 poor 12 62 35 55 3.9-7.0 3.6/6273=27...(9) HA LYS 31 - HG3 GLN 27 far 6 57 10 - 4.7-13.6 HA ALA 28 - HG2 GLN 27 far 5 97 5 - 4.2-6.9 HA ALA 28 - HG3 GLN 27 far 5 96 5 - 5.1-6.7 HA SER 94 - HG2 GLN 27 far 0 96 0 - 5.7-30.3 HA ALA 29 - HG3 GLN 27 far 0 85 0 - 5.9-8.1 HA GLU 30 - HG3 GLN 27 far 0 59 0 - 6.0-11.8 HA GLU 30 - HG2 GLN 27 far 0 60 0 - 6.1-12.1 HA LYS 31 - HG2 GLN 27 far 0 57 0 - 6.3-13.5 HA ALA 29 - HG2 GLN 27 far 0 86 0 - 6.4-9.0 HA SER 99 - HG2 GLN 27 far 0 81 0 - 6.5-28.5 HA SER 94 - HG3 GLN 27 far 0 95 0 - 6.7-28.9 HB3 SER 38 - HG3 GLN 27 far 0 59 0 - 6.8-24.4 HA LEU 22 - HG2 GLN 27 far 0 70 0 - 7.0-16.6 HA LYS 19 - HG3 GLN 27 far 0 54 0 - 7.1-22.3 HA LYS 19 - HG2 GLN 27 far 0 55 0 - 7.2-23.5 HA SER 51 - HG2 GLN 27 far 0 65 0 - 7.4-32.1 HA SER 51 - HG2 GLN 127 far 0 71 0 - 7.5-9.6 HA LEU 22 - HG3 GLN 27 far 0 69 0 - 7.5-15.4 HA SER 99 - HG3 GLN 27 far 0 80 0 - 7.8-27.1 HA SER 51 - HG3 GLN 27 far 0 64 0 - 7.9-31.1 HB3 SER 38 - HG2 GLN 27 far 0 60 0 - 8.1-23.5 HA ALA 34 - HG3 GLN 27 far 0 57 0 - 9.3-18.5 Violated in 0 structures by 0.00 A. Peak 11672 from aliabs.peaks (4.23, 2.48, 33.53 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.96: HA SER 124 + HG3 GLN 127 OK 96 98 100 98 1.9-5.3 3966/3.0=64, 4049/3.0=60...(13) HA SER 51 - HG3 GLN 127 far 0 89 0 - 6.4-10.5 Violated in 12 structures by 0.31 A. Peak 11673 from aliabs.peaks (3.84, 2.48, 33.53 ppm; 4.65 A): 2 out of 4 assignments used, quality = 0.99: HA LEU 123 + HG3 GLN 127 OK 96 98 100 98 3.6-5.8 4.0/11637=60...(12) HB2 SER 50 + HG3 GLN 127 OK 81 87 100 93 1.9-5.6 11609/1.8=30...(18) HB2 SER 130 - HG3 GLN 127 poor 19 76 40 61 4.9-7.4 4175/3.8=25, ~10507=17...(8) HA LEU 62 - HG3 GLN 127 far 0 99 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 11674 from aliabs.peaks (0.92, 2.22, 27.71 ppm; 4.86 A): 2 out of 10 assignments used, quality = 1.00: QD1 LEU 123 + HB3 GLN 127 OK 95 100 95 100 2.4-7.0 11638/4062=86...(15) QD1 LEU 49 + HB3 GLN 127 OK 93 96 100 97 1.8-5.4 10437/3.0=42...(15) QG1 VAL 105 - HB2 GLN 101 poor 10 34 30 - 3.4-8.6 QD1 LEU 48 - HB3 GLN 127 far 0 92 0 - 6.5-11.2 QD2 LEU 48 - HB3 GLN 127 far 0 60 0 - 7.1-10.4 QD1 LEU 62 - HB3 GLN 127 far 0 97 0 - 7.3-12.2 QG2 VAL 63 - HB2 GLN 101 far 0 58 0 - 7.4-9.3 QD1 LEU 62 - HB2 GLN 101 far 0 62 0 - 8.6-12.4 QG2 ILE 37 - HB3 GLN 127 far 0 97 0 - 9.1-15.2 QD1 LEU 119 - HB2 GLN 101 far 0 58 0 - 9.3-14.8 Violated in 0 structures by 0.00 A. Peak 11675 from aliabs.peaks (0.95, 3.97, 58.71 ppm; 4.29 A): 3 out of 7 assignments used, quality = 1.00: QG1 VAL 126 + HA GLN 127 OK 99 99 100 100 2.9-5.4 10394=81, ~7809=44...(25) QG2 VAL 126 + HA GLN 127 OK 93 93 100 100 2.8-5.4 2.1/10394=75...(23) QD1 LEU 123 + HA GLN 127 OK 48 76 70 91 4.1-7.9 11637/3.8=39...(16) QD2 LEU 53 - HA GLN 127 far 9 87 10 - 4.2-9.1 QG2 ILE 37 - HA GLN 127 far 0 93 0 - 7.6-13.2 QG1 VAL 126 - HA GLU 91 far 0 84 0 - 9.3-11.9 QG2 VAL 126 - HA GLU 91 far 0 77 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 11676 from aliabs.peaks (0.81, 0.96, 22.63 ppm; 2.93 A): 5 out of 12 assignments used, quality = 0.98: QD1 LEU 122 + QG1 VAL 126 OK 80 100 95 85 1.7-5.4 11681/2.1=18...(29) QD2 LEU 49 + QG1 VAL 126 OK 68 96 95 75 1.8-4.6 2.1/11615=22...(13) QD2 LEU 122 + QG1 VAL 126 OK 55 76 90 80 1.5-4.8 1676=19, 11681/2.1=15...(26) QD1 LEU 70 + QG1 VAL 126 OK 25 100 55 46 1.7-7.3 4.3/11665=8, 11681/2.1=7...(18) QD1 LEU 53 + QG1 VAL 126 OK 23 90 55 46 2.5-7.0 6621/11601=9, ~11679=6...(18) QG2 ILE 129 - QG1 VAL 126 far 5 92 5 - 4.1-6.2 QG1 VAL 133 - QG1 VAL 126 far 0 57 0 - 5.4-7.8 QD2 LEU 119 - QG1 VAL 126 far 0 83 0 - 5.8-9.4 QG1 VAL 63 - QG1 VAL 126 far 0 65 0 - 6.9-8.9 QD1 LEU 103 - QG1 VAL 126 far 0 63 0 - 6.9-10.1 QG2 ILE 32 - QG1 VAL 126 far 0 57 0 - 7.0-11.5 QG2 ILE 80 - QG1 VAL 126 far 0 99 0 - 8.1-13.0 Violated in 0 structures by 0.00 A. Peak 11677 from aliabs.peaks (1.59, 0.96, 24.06 ppm; 3.53 A): 3 out of 6 assignments used, quality = 0.81: HG LEU 49 + QG2 VAL 126 OK 55 89 75 83 3.0-5.4 3.0/11679=33...(13) HG LEU 122 + QG2 VAL 126 OK 46 92 55 92 3.1-6.1 3.0/11678=33...(24) HG LEU 70 + QG2 VAL 126 OK 21 78 55 49 3.6-8.5 3.7/10396=9, 2.1/11681=9...(16) HG LEU 123 - QG2 VAL 126 poor 18 76 40 59 4.3-7.6 11615/2.1=19...(11) HB2 LEU 122 - QG2 VAL 126 far 13 85 15 - 4.7-6.9 HB2 LEU 103 - QG2 VAL 126 far 0 96 0 - 8.3-11.8 Violated in 13 structures by 0.19 A. Peak 11678 from aliabs.peaks (1.77, 0.96, 24.06 ppm; 3.93 A): 1 out of 6 assignments used, quality = 0.43: HB3 LEU 122 + QG2 VAL 126 OK 43 81 55 97 3.5-6.2 3.0/10397=24...(33) HG LEU 100 - QG2 VAL 126 poor 19 100 45 43 4.0-8.2 ~10410=9, ~10410=7...(11) HG13 ILE 129 - QG2 VAL 126 poor 18 71 25 - 4.6-6.9 HB2 LEU 48 - QG2 VAL 126 far 0 97 0 - 7.2-10.0 HB3 LEU 103 - QG2 VAL 126 far 0 73 0 - 7.7-10.5 HB3 LEU 98 - QG2 VAL 126 far 0 93 0 - 8.3-12.2 Violated in 18 structures by 1.24 A. Peak 11679 from aliabs.peaks (1.94, 0.96, 24.06 ppm; 3.99 A): 1 out of 5 assignments used, quality = 0.45: HB3 LEU 49 + QG2 VAL 126 OK 45 65 80 85 3.3-6.1 3.0/11677=26...(16) HG LEU 53 - QG2 VAL 126 poor 18 99 30 61 4.1-10.2 1668=13, 1668/2.1=12...(20) HB2 LYS 95 - QG2 VAL 126 far 0 100 0 - 6.4-9.1 HB3 LYS 95 - QG2 VAL 126 far 0 100 0 - 7.4-9.0 HB ILE 37 - QG2 VAL 126 far 0 65 0 - 8.1-14.1 Violated in 17 structures by 0.85 A. Peak 11680 from aliabs.peaks (1.33, 0.96, 24.06 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 46 + QG2 VAL 126 OK 99 99 100 100 2.9-4.5 10409/2.1=85, 9175=60...(21) QB ALA 21 - QG2 VAL 126 far 0 93 0 - 9.1-22.5 Violated in 2 structures by 0.04 A. Peak 11681 from aliabs.peaks (0.80, 0.96, 24.06 ppm; 2.68 A): 4 out of 11 assignments used, quality = 0.94: QD2 LEU 49 + QG2 VAL 126 OK 68 99 100 68 1.6-3.4 3.2/11679=17...(14) QD1 LEU 122 + QG2 VAL 126 OK 55 100 70 79 2.1-5.5 3.1/11678=17...(26) QD2 LEU 122 + QG2 VAL 126 OK 48 87 70 78 1.7-5.6 1676=22, 3.1/11678=17...(24) QD1 LEU 70 + QG2 VAL 126 OK 22 99 55 40 1.9-6.9 9498/11683=6...(15) QD1 LEU 53 - QG2 VAL 126 poor 13 97 40 34 3.1-7.3 2.1/11679=8, 1676=6...(12) QG2 ILE 129 - QG2 VAL 126 far 12 83 15 - 3.8-6.0 QD2 LEU 119 - QG2 VAL 126 far 0 92 0 - 5.3-10.4 QG1 VAL 63 - QG2 VAL 126 far 0 78 0 - 6.2-8.5 QG2 ILE 80 - QG2 VAL 126 far 0 97 0 - 7.7-12.3 QD1 LEU 103 - QG2 VAL 126 far 0 76 0 - 7.7-10.6 HG13 ILE 80 - QG2 VAL 126 far 0 99 0 - 9.8-14.4 Violated in 1 structures by 0.00 A. Peak 11682 from aliabs.peaks (1.56, 0.96, 22.63 ppm; 3.86 A): 2 out of 7 assignments used, quality = 0.75: HG LEU 49 + QG1 VAL 126 OK 57 96 70 85 3.4-7.0 2.1/11676=24, ~11679=23...(16) HG LEU 123 + QG1 VAL 126 OK 43 99 55 78 4.1-6.5 3.7/10393=48...(14) HB3 LEU 42 - QG1 VAL 126 far 0 90 0 - 6.3-10.3 HB2 LEU 119 - QG1 VAL 126 far 0 92 0 - 6.9-9.5 HG13 ILE 37 - QG1 VAL 126 far 0 99 0 - 7.8-14.8 HB2 LEU 103 - QG1 VAL 126 far 0 89 0 - 8.2-10.9 HG LEU 103 - QG1 VAL 126 far 0 100 0 - 8.2-11.0 Violated in 13 structures by 0.59 A. Peak 11683 from aliabs.peaks (3.20, 0.96, 24.06 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: HB3 CYS 125 + QG2 VAL 126 OK 100 100 100 100 4.2-5.8 1.8/11684=62...(25) Violated in 16 structures by 0.75 A. Peak 11684 from aliabs.peaks (2.73, 0.96, 24.06 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: HB2 CYS 125 + QG2 VAL 126 OK 100 100 100 100 3.1-5.9 1.8/11683=81...(26) HB2 CYS 73 - QG2 VAL 126 poor 20 97 55 37 3.6-7.4 10463/11692=22...(5) HB2 ASP 47 - QG2 VAL 126 far 0 97 0 - 6.7-10.0 HB2 ASP 64 - QG2 VAL 126 far 0 73 0 - 8.6-11.0 Violated in 15 structures by 0.69 A. Peak 11685 from aliabs.peaks (3.15, 0.96, 22.63 ppm; 6.08 A): 0 out of 2 assignments used, quality = 0.00: HB3 TYR 76 - QG1 VAL 126 far 0 83 0 - 8.2-11.6 HB2 HIS 6 - QG1 VAL 126 far 0 100 0 - 9.9-49.8 Violated in 20 structures by 3.67 A. Peak 11686 from aliabs.peaks (2.84, 0.96, 22.63 ppm; 5.46 A): 0 out of 3 assignments used, quality = 0.00: HB3 ASP 131 - QG1 VAL 126 far 4 81 5 - 6.7-9.7 HB3 ASP 47 - QG1 VAL 126 far 0 99 0 - 7.0-10.7 HE3 LYS 95 - QG1 VAL 126 far 0 63 0 - 8.2-11.5 Violated in 20 structures by 1.83 A. Peak 11687 from aliabs.peaks (2.70, 0.96, 22.63 ppm; 5.56 A): 0 out of 1 assignment used, quality = 0.00: HB2 ASP 47 - QG1 VAL 126 far 0 81 0 - 7.6-11.1 Violated in 20 structures by 3.34 A. Peak 11688 from aliabs.peaks (4.34, 0.96, 24.06 ppm; 4.91 A): 3 out of 5 assignments used, quality = 0.99: HA CYS 125 + QG2 VAL 126 OK 97 97 100 100 4.8-6.2 3.6/4021=77...(30) HA LEU 69 + QG2 VAL 126 OK 67 100 80 84 3.7-7.4 11028/9527=49...(12) HA ASP 47 + QG2 VAL 126 OK 22 99 30 73 5.2-8.3 10901/11616=35...(10) HA2 GLY 75 - QG2 VAL 126 far 0 83 0 - 9.2-13.1 HA ASN 59 - QG2 VAL 126 far 0 97 0 - 9.3-12.0 Violated in 1 structures by 0.00 A. Peak 11689 from aliabs.peaks (4.07, 0.96, 24.06 ppm; 3.84 A): 1 out of 9 assignments used, quality = 0.60: HA LEU 96 + QG2 VAL 126 OK 60 87 80 87 3.4-6.6 11604/2.1=18...(27) HB THR 65 - QG2 VAL 126 far 10 99 10 - 4.9-8.3 HB2 SER 74 - QG2 VAL 126 far 0 90 0 - 6.4-10.8 HA ALA 92 - QG2 VAL 126 far 0 89 0 - 6.5-7.9 HB3 SER 74 - QG2 VAL 126 far 0 96 0 - 6.5-10.7 HA PHE 89 - QG2 VAL 126 far 0 93 0 - 7.4-9.1 HA LEU 48 - QG2 VAL 126 far 0 60 0 - 7.5-9.8 HA GLU 44 - QG2 VAL 126 far 0 57 0 - 8.5-10.4 HA GLN 104 - QG2 VAL 126 far 0 89 0 - 9.9-13.4 Violated in 19 structures by 1.20 A. Peak 11690 from aliabs.peaks (1.36, 2.11, 31.38 ppm; 5.12 A): 3 out of 9 assignments used, quality = 0.98: HB2 LEU 96 + HB VAL 126 OK 88 89 100 99 1.9-6.3 ~11689=59, 3.2/11453=42...(23) QB ALA 46 + HB VAL 126 OK 73 73 100 100 2.2-6.4 11616/2.1=80...(15) HB3 LEU 100 + HB VAL 126 OK 34 97 60 57 4.8-9.3 ~11678=18, ~10410=12...(10) HG3 LYS 95 - HB VAL 126 far 4 78 5 - 6.6-13.8 QB ALA 29 - HB VAL 126 far 0 92 0 - 7.5-14.9 HB2 LEU 42 - HB VAL 126 far 0 97 0 - 7.7-12.2 HG2 LYS 95 - HB VAL 126 far 0 71 0 - 7.8-13.4 QB ALA 110 - HB VAL 126 far 0 85 0 - 9.5-20.2 QB ALA 108 - HB VAL 126 far 0 90 0 - 9.5-17.3 Violated in 0 structures by 0.00 A. Peak 11691 from aliabs.peaks (1.98, 0.96, 22.63 ppm; 3.91 A): 1 out of 6 assignments used, quality = 0.69: HB ILE 129 + QG1 VAL 126 OK 69 73 95 99 3.4-5.5 3.2/10410=37...(29) HB3 LEU 53 - QG1 VAL 126 poor 14 92 25 60 4.4-9.2 1660=11, ~11679=10...(17) HB ILE 37 - QG1 VAL 126 far 0 97 0 - 7.1-14.2 HB2 GLU 91 - QG1 VAL 126 far 0 90 0 - 9.6-12.3 HB2 GLN 27 - QG1 VAL 126 far 0 93 0 - 9.7-18.7 HB3 PRO 117 - QG1 VAL 126 far 0 63 0 - 10.0-13.1 Violated in 19 structures by 0.96 A. Peak 11692 from aliabs.peaks (0.65, 0.96, 24.06 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 129 + QG2 VAL 126 OK 100 100 100 100 2.7-4.3 11639/3.2=58, 10489=50...(35) QD1 LEU 42 - QG2 VAL 126 poor 13 95 35 40 4.4-8.9 9111/9527=21...(7) Violated in 8 structures by 0.14 A. Peak 11693 from aliabs.peaks (1.43, 4.19, 59.09 ppm; 4.74 A): 1 out of 7 assignments used, quality = 0.95: QB ALA 92 + HA GLU 128 OK 95 100 95 100 4.2-6.5 10444/3.0=76...(17) QB ALA 34 - HA HIS 67 far 0 36 0 - 6.9-15.7 HG13 ILE 32 - HA HIS 67 far 0 46 0 - 7.0-12.6 HG2 LYS 31 - HA HIS 67 far 0 26 0 - 9.0-18.4 HG3 LYS 24 - HA HIS 67 far 0 37 0 - 9.4-25.8 HG3 LYS 36 - HA HIS 67 far 0 24 0 - 9.5-15.8 QB ALA 92 - HA HIS 67 far 0 46 0 - 9.8-11.7 Violated in 18 structures by 0.42 A. Peak 11694 from aliabs.peaks (1.14, 2.08, 28.58 ppm; 4.54 A): 2 out of 12 assignments used, quality = 0.99: QG2 VAL 132 + HB2 GLU 128 OK 93 100 95 98 3.2-6.9 11697/3.0=41...(19) QG1 VAL 132 + HB2 GLU 128 OK 87 99 90 98 3.2-7.2 11741/3.0=40...(19) HB3 LEU 62 - HB2 GLN 61 poor 17 66 25 - 5.0-7.0 QG1 VAL 132 - HB3 GLN 82 poor 13 66 20 - 5.7-10.6 HG12 ILE 32 - HB3 GLU 44 poor 11 56 20 - 3.5-19.2 HG12 ILE 32 - HB2 GLN 61 far 3 52 5 - 4.5-21.3 QG2 VAL 132 - HB3 GLN 82 far 0 67 0 - 7.3-10.5 HG2 LYS 39 - HB3 GLN 82 far 0 68 0 - 8.1-17.6 HG3 LYS 39 - HB3 GLU 44 far 0 43 0 - 8.6-10.1 HG2 LYS 39 - HB3 GLU 44 far 0 74 0 - 9.0-11.4 QG2 THR 115 - HB2 GLU 102 far 0 99 0 - 9.3-13.6 HG3 LYS 39 - HB3 GLN 82 far 0 39 0 - 9.6-17.1 Violated in 4 structures by 0.04 A. Peak 11695 from aliabs.peaks (0.99, 2.08, 28.58 ppm; 4.05 A): 2 out of 12 assignments used, quality = 0.73: QG2 VAL 105 + HB2 GLU 102 OK 56 86 65 100 2.4-8.6 11508/3.0=70, 11456=62...(15) QG2 VAL 118 + HB2 GLU 102 OK 39 94 45 91 3.8-8.1 11545/1.8=75...(6) QD2 LEU 53 - HB2 GLN 61 far 7 44 15 - 4.5-12.3 QD2 LEU 53 - HB2 GLU 128 far 0 73 0 - 6.0-12.9 QD1 LEU 69 - HB3 GLU 44 far 0 58 0 - 6.0-11.4 QG2 VAL 126 - HB2 GLU 128 far 0 63 0 - 6.3-7.9 QD1 LEU 69 - HB2 GLU 128 far 0 87 0 - 7.4-11.0 QG2 VAL 126 - HB3 GLU 44 far 0 39 0 - 9.0-11.6 QG1 VAL 112 - HB2 GLN 61 far 0 42 0 - 9.1-16.7 QG2 VAL 126 - HB2 GLN 61 far 0 36 0 - 9.3-12.5 QD1 LEU 69 - HB2 GLU 102 far 0 86 0 - 9.7-16.3 QG1 VAL 112 - HB2 GLU 102 far 0 70 0 - 9.8-16.2 Violated in 8 structures by 0.45 A. Peak 11696 from aliabs.peaks (0.77, 2.08, 28.58 ppm; 4.33 A): 1 out of 24 assignments used, quality = 0.68: HG12 ILE 129 + HB2 GLU 128 OK 68 83 85 96 3.3-7.1 ~10013=44, 4.8/4094=42...(15) QD1 ILE 32 - HB3 GLU 44 poor 16 74 35 61 2.8-15.3 10849/3.0=46...(6) QD2 LEU 96 - HB2 GLU 128 far 9 89 10 - 5.5-10.0 QD1 ILE 32 - HB2 GLN 61 far 7 69 10 - 3.5-17.1 QD1 LEU 103 - HB2 GLU 102 far 5 91 5 - 5.7-6.7 QD2 LEU 119 - HB2 GLN 61 far 2 45 5 - 5.6-16.3 QD1 ILE 37 - HB3 GLU 44 far 0 74 0 - 6.2-11.1 QD2 LEU 43 - HB3 GLU 44 far 0 51 0 - 6.4-7.6 QD1 LEU 96 - HB2 GLU 128 far 0 99 0 - 6.5-9.6 QD1 LEU 53 - HB2 GLU 128 far 0 65 0 - 6.6-10.9 QD1 LEU 53 - HB2 GLN 61 far 0 38 0 - 6.7-13.0 QD2 LEU 122 - HB2 GLU 102 far 0 82 0 - 6.8-10.4 QD1 ILE 37 - HB2 GLN 61 far 0 69 0 - 6.9-17.8 QG1 VAL 93 - HB2 GLU 128 far 0 90 0 - 7.0-10.3 QD2 LEU 122 - HB2 GLU 128 far 0 83 0 - 7.1-11.9 QG1 VAL 63 - HB2 GLN 61 far 0 57 0 - 7.3-8.1 QD2 LEU 43 - HB2 GLU 128 far 0 78 0 - 7.6-10.4 QG1 VAL 63 - HB2 GLU 102 far 0 90 0 - 7.9-9.7 QD2 LEU 122 - HB2 GLN 61 far 0 51 0 - 8.0-11.9 QD2 LEU 96 - HB2 GLU 102 far 0 88 0 - 8.2-12.5 QD2 LEU 43 - HB3 GLN 82 far 0 46 0 - 8.4-15.4 QD2 LEU 119 - HB2 GLU 102 far 0 75 0 - 8.6-13.0 QD1 LEU 96 - HB2 GLU 102 far 0 99 0 - 8.7-11.9 QD1 LEU 103 - HB2 GLN 61 far 0 58 0 - 9.5-11.6 Violated in 9 structures by 0.58 A. Peak 11697 from aliabs.peaks (1.14, 2.42, 34.22 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.86: QG2 VAL 132 + HG3 GLU 128 OK 66 100 70 94 3.0-7.8 11657/1.8=28...(16) QG1 VAL 132 + HG3 GLU 128 OK 60 95 70 90 2.6-7.9 11658/10447=25, 11741=23...(16) Violated in 7 structures by 0.44 A. Peak 11698 from aliabs.peaks (4.36, 2.42, 34.22 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.85: HA CYS 125 + HG3 GLU 128 OK 85 100 85 100 3.4-6.3 11648=80, 3986/3.0=70...(19) HA CYS 73 - HG3 GLU 128 far 0 87 0 - 9.1-14.3 Violated in 15 structures by 0.72 A. Peak 11699 from aliabs.peaks (8.22, 2.42, 34.22 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.57: H GLN 127 + HG3 GLU 128 OK 57 60 95 100 5.4-7.3 3.2/4110=94...(17) Violated in 18 structures by 0.85 A. Peak 11700 from aliabs.peaks (8.50, 2.42, 34.22 ppm; 5.42 A): 0 out of 0 assignments used, quality = 0.00: Peak 11701 from aliabs.peaks (8.29, 2.34, 34.22 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: H VAL 126 + HG2 GLU 128 OK 96 98 100 98 5.1-8.2 3.6/11629=75...(10) H ASP 131 + HG2 GLU 128 OK 90 90 100 100 5.2-6.2 3.3/11702=91...(13) H LEU 96 + HG2 GLU 128 OK 35 95 40 92 6.2-11.0 3.1/9976=74...(5) H LEU 123 - HG2 GLU 128 far 0 81 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 11702 from aliabs.peaks (8.48, 2.34, 34.22 ppm; 5.42 A): 1 out of 2 assignments used, quality = 0.95: H VAL 132 + HG2 GLU 128 OK 95 97 100 98 5.5-6.8 7908/4104=64...(10) H GLU 97 - HG2 GLU 128 far 0 95 0 - 8.7-13.4 Violated in 20 structures by 0.74 A. Peak 11703 from aliabs.peaks (3.44, 0.82, 16.85 ppm; 3.65 A): 4 out of 7 assignments used, quality = 1.00: HA VAL 126 + QG2 ILE 129 OK 100 100 100 100 3.7-4.8 10402/4163=55...(30) HA ILE 129 + QG2 ILE 129 OK 87 87 100 100 2.2-2.6 3.2=100 HA VAL 77 + QG2 ILE 80 OK 77 77 100 100 1.6-5.1 9725/3.1=60, 9728/3.2=30...(47) HA VAL 77 + QG2 ILE 129 OK 25 93 35 76 4.4-6.0 9666/10457=23...(18) HB3 HIS 67 - QG2 ILE 32 far 4 27 15 - 4.1-12.1 HA ILE 129 - QG2 ILE 80 far 0 70 0 - 5.7-9.0 HA VAL 126 - QG2 ILE 80 far 0 88 0 - 8.2-13.2 Violated in 0 structures by 0.00 A. Peak 11704 from aliabs.peaks (4.04, 0.82, 16.85 ppm; 4.73 A): 2 out of 21 assignments used, quality = 0.93: HD3 PRO 81 + QG2 ILE 80 OK 85 85 100 100 2.3-3.9 4.0=100 HA ALA 92 + QG2 ILE 129 OK 53 97 55 100 5.6-6.9 2.1/9946=93...(35) HD3 PRO 81 - QG2 ILE 129 poor 20 99 20 - 5.7-8.1 HA ILE 37 - QG2 ILE 32 poor 14 35 40 - 2.9-8.0 HB2 SER 74 - QG2 ILE 129 far 10 96 10 - 6.2-7.9 HB3 SER 74 - QG2 ILE 32 far 7 45 15 - 5.4-15.1 HB2 SER 74 - QG2 ILE 32 far 2 49 5 - 5.2-15.0 HB THR 65 - QG2 ILE 32 far 2 38 5 - 5.5-13.1 HB3 SER 74 - QG2 ILE 129 far 0 90 0 - 6.3-8.3 HA GLU 44 - QG2 ILE 32 far 0 55 0 - 6.4-14.3 HA ARG 135 - QG2 ILE 80 far 0 53 0 - 6.8-9.8 HA LEU 96 - QG2 ILE 129 far 0 97 0 - 6.9-8.9 HA ILE 37 - QG2 ILE 129 far 0 76 0 - 7.3-12.8 HB3 SER 74 - QG2 ILE 80 far 0 74 0 - 7.8-12.1 HB2 SER 74 - QG2 ILE 80 far 0 80 0 - 7.8-11.8 HA LEU 122 - QG2 ILE 129 far 0 100 0 - 7.9-9.6 HA ILE 37 - QG2 ILE 80 far 0 60 0 - 8.3-15.6 HA GLU 44 - QG2 ILE 129 far 0 100 0 - 8.8-10.8 HA LYS 95 - QG2 ILE 129 far 0 85 0 - 8.9-10.5 HA ALA 92 - QG2 ILE 80 far 0 81 0 - 9.1-11.8 HA ARG 135 - QG2 ILE 129 far 0 68 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 11705 from aliabs.peaks (8.14, 0.82, 16.85 ppm; 4.57 A): 3 out of 8 assignments used, quality = 1.00: H VAL 133 + QG2 ILE 129 OK 99 100 100 99 3.1-4.3 11894/10486=55, 7934=40...(28) H ILE 32 + QG2 ILE 32 OK 55 55 100 100 3.4-3.8 4.0=100 H VAL 133 + QG2 ILE 80 OK 46 87 55 96 4.6-8.0 ~10590=32, ~10590=30...(25) H ASP 71 - QG2 ILE 32 poor 19 55 35 - 3.1-10.8 H GLU 91 - QG2 ILE 129 poor 18 92 25 80 5.6-7.1 9902/9946=50...(11) H GLU 91 - QG2 ILE 80 far 0 76 0 - 6.5-8.5 H ASP 71 - QG2 ILE 129 far 0 100 0 - 7.2-9.0 H ASP 71 - QG2 ILE 80 far 0 87 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 11706 from aliabs.peaks (7.33, 0.65, 14.48 ppm; 5.86 A): 1 out of 3 assignments used, quality = 0.68: HZ PHE 89 + QD1 ILE 129 OK 68 68 100 100 4.4-6.0 2.2/10456=97...(17) HE ARG 90 - QD1 ILE 129 far 0 99 0 - 7.5-10.0 QD PHE 87 - QD1 ILE 129 far 0 93 0 - 8.9-10.3 Violated in 1 structures by 0.01 A. Peak 11707 from aliabs.peaks (7.07, 0.65, 14.48 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + QD1 ILE 129 OK 100 100 100 100 3.7-5.3 2.2/10456=88...(21) Violated in 2 structures by 0.01 A. Peak 11708 from aliabs.peaks (7.09, 0.82, 16.85 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.97: QD PHE 89 + QG2 ILE 129 OK 89 89 100 100 2.3-3.0 2.2/10457=72...(39) QD PHE 89 + QG2 ILE 80 OK 72 72 100 100 1.9-5.3 9747/3.1=51, ~9749=42...(33) QD PHE 89 - QG2 ILE 32 far 0 44 0 - 10.0-15.2 Violated in 0 structures by 0.00 A. Peak 11709 from aliabs.peaks (3.89, 0.65, 14.48 ppm; 4.55 A): 1 out of 6 assignments used, quality = 0.94: HA LEU 70 + QD1 ILE 129 OK 94 100 95 99 3.7-6.2 9484/10487=56, 11109=51...(18) HA ALA 46 - QD1 ILE 129 far 5 99 5 - 5.8-7.8 HB2 SER 94 - QD1 ILE 129 far 0 95 0 - 6.3-7.5 HA LYS 86 - QD1 ILE 129 far 0 100 0 - 6.9-8.9 HB3 SER 50 - QD1 ILE 129 far 0 99 0 - 8.2-10.8 HA3 GLY 75 - QD1 ILE 129 far 0 99 0 - 8.7-11.1 Violated in 8 structures by 0.24 A. Peak 11710 from aliabs.peaks (4.23, 0.65, 14.48 ppm; 5.20 A): 1 out of 8 assignments used, quality = 0.84: HA SER 94 + QD1 ILE 129 OK 84 99 85 100 5.8-6.9 4.9/10461=65...(16) HA SER 124 - QD1 ILE 129 far 14 95 15 - 6.4-7.2 HA ALA 88 - QD1 ILE 129 far 7 71 10 - 6.3-7.8 HA HIS 67 - QD1 ILE 129 far 0 76 0 - 7.5-9.5 HA ALA 28 - QD1 ILE 129 far 0 93 0 - 8.7-18.3 HA GLU 30 - QD1 ILE 129 far 0 92 0 - 8.8-18.2 HA ALA 34 - QD1 ILE 129 far 0 90 0 - 9.3-15.5 HA SER 99 - QD1 ILE 129 far 0 99 0 - 9.5-10.7 Violated in 20 structures by 0.99 A. Peak 11711 from aliabs.peaks (1.33, 0.65, 14.48 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.64: QB ALA 46 + QD1 ILE 129 OK 64 99 65 99 4.2-5.8 11245/4163=63...(14) Violated in 20 structures by 1.23 A. Peak 11712 from aliabs.peaks (1.66, 0.65, 14.48 ppm; 4.07 A): 2 out of 12 assignments used, quality = 0.43: HB2 LEU 69 + QD1 ILE 129 OK 29 99 30 97 4.9-7.9 2.9/11713=60...(12) HD3 LYS 95 + QD1 ILE 129 OK 20 100 25 81 5.2-8.0 9828/10487=36...(14) HD2 LYS 95 - QD1 ILE 129 far 10 100 10 - 4.4-9.2 QB ALA 88 - QD1 ILE 129 far 5 99 5 - 5.5-6.7 HB2 LEU 123 - QD1 ILE 129 far 0 99 0 - 7.8-9.0 HG LEU 43 - QD1 ILE 129 far 0 95 0 - 8.6-10.5 HD2 LYS 36 - QD1 ILE 129 far 0 99 0 - 8.8-13.9 HB2 LEU 98 - QD1 ILE 129 far 0 97 0 - 9.0-11.1 HD2 LYS 86 - QD1 ILE 129 far 0 100 0 - 9.8-11.9 HD3 LYS 36 - QD1 ILE 129 far 0 100 0 - 9.8-15.2 HD3 LYS 24 - QD1 ILE 129 far 0 100 0 - 10.0-25.5 HD2 LYS 24 - QD1 ILE 129 far 0 100 0 - 10.0-25.0 Violated in 20 structures by 1.40 A. Peak 11713 from aliabs.peaks (1.54, 0.65, 14.48 ppm; 4.13 A): 1 out of 4 assignments used, quality = 0.55: HG LEU 69 + QD1 ILE 129 OK 55 81 70 98 3.9-6.6 2.1/11038=73...(13) HB3 LEU 42 - QD1 ILE 129 far 0 99 0 - 6.5-9.5 HB2 LEU 53 - QD1 ILE 129 far 0 92 0 - 9.4-12.0 HG13 ILE 37 - QD1 ILE 129 far 0 87 0 - 9.6-14.4 Violated in 19 structures by 1.16 A. Peak 11714 from aliabs.peaks (2.11, 0.65, 14.48 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: HB VAL 126 + QD1 ILE 129 OK 100 100 100 100 3.5-4.3 2.1/11692=69...(35) HB2 GLU 128 + QD1 ILE 129 OK 41 60 70 96 3.0-6.0 4.5/7873=46...(16) HG3 GLU 91 - QD1 ILE 129 poor 17 87 20 - 5.1-8.6 HB2 GLU 97 - QD1 ILE 129 far 0 73 0 - 6.1-7.1 Violated in 0 structures by 0.00 A. Peak 11715 from aliabs.peaks (3.42, 0.65, 14.48 ppm; 3.77 A): 1 out of 3 assignments used, quality = 0.85: HA VAL 126 + QD1 ILE 129 OK 85 85 100 100 1.6-2.4 10402=73, 3.2/11692=47...(26) HA LYS 39 - QD1 ILE 129 far 0 87 0 - 8.7-10.7 HB3 HIS 67 - QD1 ILE 129 far 0 98 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 11716 from aliabs.peaks (3.20, 0.65, 14.48 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: HB3 CYS 125 + QD1 ILE 129 OK 100 100 100 100 2.6-4.4 10388=100, 1.8/10383=84...(23) HB2 PHE 87 - QD1 ILE 129 far 0 60 0 - 9.0-10.8 HD2 ARG 84 - QD1 ILE 129 far 0 97 0 - 9.8-14.4 Violated in 0 structures by 0.00 A. Peak 11717 from aliabs.peaks (0.29, 0.75, 30.23 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG12 ILE 129 OK 100 100 100 100 1.9-6.1 10487/2.1=99...(41) QD1 ILE 80 - HG12 ILE 129 poor 18 76 30 80 5.1-8.7 10488/1.8=27...(15) Violated in 1 structures by 0.05 A. Peak 11718 from aliabs.peaks (1.34, 3.82, 62.38 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 46 + HB2 SER 130 OK 99 100 100 99 1.7-3.2 10508/1.8=74...(16) QB ALA 46 + HB2 SER 50 OK 73 97 95 79 3.7-5.9 9213/3.9=30...(10) HG2 LYS 19 - HB2 SER 50 far 0 61 0 - 9.4-40.0 Violated in 0 structures by 0.00 A. Peak 11719 from aliabs.peaks (0.94, 3.82, 62.38 ppm; 4.27 A): 5 out of 18 assignments used, quality = 0.99: QD1 LEU 123 + HB2 SER 50 OK 86 93 95 98 2.3-5.9 11874/3.0=52...(30) QD1 LEU 49 + HB2 SER 50 OK 68 69 100 99 2.2-3.7 11339/1.8=28...(40) QG2 VAL 126 + HB2 SER 130 OK 55 68 95 84 4.0-6.2 11745/3.0=45...(12) QG1 VAL 126 + HB2 SER 130 OK 42 83 60 85 3.8-6.4 ~11745=31...(14) QG1 VAL 126 + HB2 SER 50 OK 35 78 55 83 4.1-7.9 11601/3.9=39...(16) QG2 VAL 126 - HB2 SER 50 poor 19 64 50 60 4.1-7.8 ~10394=16, 11785/3.9=15...(12) QD1 LEU 49 - HB2 SER 130 poor 13 73 75 24 4.0-6.6 11611/4175=6...(8) QD1 LEU 48 - HB2 SER 50 poor 12 61 20 - 5.3-8.7 QD2 LEU 53 - HB2 SER 50 poor 11 53 20 - 3.2-7.5 QD1 LEU 48 - HB2 SER 130 far 0 65 0 - 6.2-10.2 QG1 VAL 20 - HB2 SER 50 far 0 58 0 - 6.8-27.8 QD2 LEU 53 - HB2 SER 130 far 0 57 0 - 6.9-11.8 QD1 LEU 123 - HB2 SER 130 far 0 97 0 - 6.9-10.0 QG2 ILE 37 - HB2 SER 130 far 0 100 0 - 7.1-11.4 QD1 LEU 62 - HB2 SER 50 far 0 71 0 - 8.1-11.5 QD1 LEU 119 - HB2 SER 50 far 0 98 0 - 9.1-13.6 QG2 ILE 37 - HB2 SER 50 far 0 98 0 - 9.4-16.1 QG1 VAL 57 - HB2 SER 50 far 0 96 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 11720 from aliabs.peaks (0.76, 3.82, 62.38 ppm; 3.78 A): 1 out of 13 assignments used, quality = 0.95: QD2 LEU 43 + HB2 SER 130 OK 95 96 100 99 3.1-4.8 10509/1.8=71...(24) QD2 LEU 43 - HB2 SER 50 far 0 91 0 - 5.8-10.1 QD2 LEU 96 - HB2 SER 130 far 0 99 0 - 5.9-10.0 HG12 ILE 129 - HB2 SER 130 far 0 97 0 - 6.0-7.2 QD1 LEU 96 - HB2 SER 130 far 0 89 0 - 6.1-9.2 QD1 ILE 37 - HB2 SER 130 far 0 96 0 - 6.9-12.0 QG1 VAL 93 - HB2 SER 130 far 0 99 0 - 7.6-10.0 QD1 ILE 32 - HB2 SER 130 far 0 96 0 - 7.7-14.7 QD2 LEU 96 - HB2 SER 50 far 0 96 0 - 7.9-12.7 QD1 LEU 96 - HB2 SER 50 far 0 84 0 - 8.8-11.3 HG12 ILE 129 - HB2 SER 50 far 0 93 0 - 8.9-13.7 QD1 ILE 32 - HB2 SER 50 far 0 91 0 - 9.0-16.6 QD1 ILE 37 - HB2 SER 50 far 0 91 0 - 9.6-16.2 Violated in 16 structures by 0.35 A. Peak 11721 from aliabs.peaks (1.15, 4.31, 56.71 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + HA ASP 131 OK 99 99 100 100 4.5-5.4 4226/3.6=53, ~10516=45...(30) QG1 VAL 132 + HA ASP 131 OK 85 85 100 100 4.6-6.0 ~10516=45, ~10516=42...(28) HG2 LYS 39 - HA ASP 131 far 5 96 5 - 5.9-12.1 HG3 LYS 39 - HA ASP 131 far 0 93 0 - 7.0-12.6 Violated in 0 structures by 0.00 A. Peak 11722 from aliabs.peaks (6.49, 2.77, 40.78 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.99: QE TYR 76 + HB2 TYR 76 OK 94 94 100 100 4.4-4.5 4.5=100 QD TYR 76 + HB2 TYR 76 OK 91 91 100 100 2.3-2.8 2.6=100 QE TYR 76 - HB2 ASP 131 far 0 97 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 11723 from aliabs.peaks (8.15, 2.77, 40.78 ppm; 5.40 A): 1 out of 5 assignments used, quality = 0.99: H VAL 133 + HB2 ASP 131 OK 99 99 100 100 5.0-6.0 3.3/7914=91...(18) H VAL 133 - HB2 TYR 76 far 0 98 0 - 7.0-11.0 H ASP 71 - HB2 TYR 76 far 0 92 0 - 8.3-9.5 H ILE 32 - HB2 TYR 76 far 0 98 0 - 9.1-19.8 H GLU 91 - HB2 TYR 76 far 0 68 0 - 9.8-14.2 Violated in 14 structures by 0.24 A. Peak 11725 from aliabs.peaks (3.48, 4.31, 56.71 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.96: HA VAL 132 + HA ASP 131 OK 89 89 100 100 4.7-4.7 4.9=100 HA ILE 129 + HA ASP 131 OK 63 65 100 96 6.2-6.5 ~7896=47, 7909/3.6=44...(17) HA LEU 42 - HA ASP 131 far 0 96 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 11726 from aliabs.peaks (3.49, 2.77, 40.78 ppm; 5.55 A): 2 out of 2 assignments used, quality = 0.99: HA VAL 132 + HB2 ASP 131 OK 98 98 100 100 4.0-5.6 3.0/7914=97, 10528=92...(19) HA LEU 42 + HB2 TYR 76 OK 46 80 65 89 5.7-8.8 4.1/9617=70...(5) Violated in 0 structures by 0.00 A. Peak 11727 from aliabs.peaks (3.79, 2.77, 40.78 ppm; 6.35 A): 8 out of 12 assignments used, quality = 1.00: HA SER 130 + HB2 ASP 131 OK 89 89 100 100 5.5-6.4 3.6/7903=100, ~11646=74...(17) HB3 SER 130 + HB2 ASP 131 OK 86 87 100 100 4.1-6.0 4.6/7903=93...(15) HB2 SER 130 + HB2 ASP 131 OK 57 57 100 99 4.2-7.2 4.6/7903=93, ~10520=29...(8) HA VAL 133 + HB2 TYR 76 OK 37 76 50 98 6.5-9.8 10559/4.5=56, ~10561=27...(18) HA VAL 133 + HB2 ASP 131 OK 31 78 40 100 7.6-8.6 3.0/11644=89, ~11645=65...(12) HA SER 130 + HB2 TYR 76 OK 29 86 60 57 6.2-10.3 9101/9617=19...(8) HA LEU 43 + HB2 ASP 131 OK 27 95 60 48 6.7-9.4 1339/3.8=29...(6) HA ARG 90 + HB2 TYR 76 OK 24 96 40 61 6.8-11.3 9953/11153=21...(7) HB2 SER 130 - HB2 TYR 76 far 3 55 5 - 7.6-12.0 HA LEU 43 - HB2 TYR 76 far 0 92 0 - 8.3-10.4 HB3 SER 130 - HB2 TYR 76 far 0 84 0 - 8.8-13.0 HB3 SER 9 - HB2 TYR 76 far 0 95 0 - 9.7-46.2 Violated in 0 structures by 0.00 A. Peak 11728 from aliabs.peaks (3.79, 4.31, 56.71 ppm; 4.50 A): 3 out of 5 assignments used, quality = 0.99: HA SER 130 + HA ASP 131 OK 88 89 100 99 4.7-4.8 4.9=75, ~7891=38...(26) HB3 SER 130 + HA ASP 131 OK 80 87 100 92 4.0-5.6 ~4180=38, 7899/2.9=32...(19) HB2 SER 130 + HA ASP 131 OK 45 57 100 79 4.3-5.7 ~7901=25, 4180/2.9=24...(12) HA LEU 43 - HA ASP 131 poor 19 95 45 46 5.1-7.4 1339/2.9=20...(9) HA VAL 133 - HA ASP 131 far 0 78 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 11729 from aliabs.peaks (2.34, 2.77, 40.78 ppm; 5.17 A): 2 out of 5 assignments used, quality = 1.00: HB VAL 77 + HB2 TYR 76 OK 99 99 100 100 4.2-6.6 7042/4.5=76, 9601/3.8=56...(22) HG2 GLU 128 + HB2 ASP 131 OK 95 100 95 100 4.1-6.7 1.8/10450=84...(19) HB3 GLN 134 - HB2 ASP 131 far 9 93 10 - 6.5-8.1 HG2 GLN 127 - HB2 ASP 131 far 0 100 0 - 7.0-9.5 HG3 GLN 68 - HB2 TYR 76 far 0 71 0 - 9.9-14.1 Violated in 2 structures by 0.05 A. Peak 11730 from aliabs.peaks (2.21, 2.77, 40.78 ppm; 4.78 A): 3 out of 6 assignments used, quality = 0.93: HB3 GLU 128 + HB2 ASP 131 OK 84 89 95 100 4.7-6.5 3.0/4195=81...(21) HB3 GLN 127 + HB2 ASP 131 OK 34 99 65 53 4.5-8.0 4080/4195=31...(6) HB VAL 133 + HB2 TYR 76 OK 34 68 60 83 4.7-7.9 9088/9617=35, ~11134=15...(16) HB VAL 133 - HB2 ASP 131 far 0 71 0 - 8.2-8.9 HB2 PRO 81 - HB2 TYR 76 far 0 78 0 - 9.1-12.1 HG2 GLU 97 - HB2 TYR 76 far 0 60 0 - 9.7-14.3 Violated in 8 structures by 0.14 A. Peak 11731 from aliabs.peaks (1.37, 4.31, 56.71 ppm; 6.80 A): 0 out of 1 assignment used, quality = 0.00: HB2 LEU 42 - HA ASP 131 far 5 100 5 - 7.0-11.6 Violated in 20 structures by 2.75 A. Peak 11732 from aliabs.peaks (2.23, 4.31, 56.71 ppm; 5.07 A): 0 out of 3 assignments used, quality = 0.00: HB3 GLN 127 - HA ASP 131 far 15 100 15 - 6.4-9.0 HB3 GLU 128 - HA ASP 131 far 0 100 0 - 7.3-8.4 HB2 PRO 81 - HA ASP 131 far 0 72 0 - 9.4-13.6 Violated in 20 structures by 1.53 A. Peak 11734 from aliabs.peaks (7.40, 1.13, 22.78 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.94: QE PHE 89 + QG1 VAL 132 OK 80 100 80 100 5.2-6.6 ~11943=53, 2.2/10546=51...(26) QE PHE 89 + QG2 VAL 132 OK 72 72 100 100 3.1-5.4 ~11943=53, 11367/2.1=45...(27) Violated in 2 structures by 0.03 A. Peak 11735 from aliabs.peaks (8.02, 1.14, 23.00 ppm; 4.58 A): 4 out of 8 assignments used, quality = 1.00: H ILE 129 + QG2 VAL 132 OK 93 93 100 100 3.6-5.1 7873/11737=54...(22) H SER 130 + QG2 VAL 132 OK 83 87 100 96 3.8-4.8 3.6/10477=45...(19) H ILE 129 + QG1 VAL 132 OK 47 62 75 99 3.9-6.6 ~10477=48, ~4126=43...(21) H SER 130 + QG1 VAL 132 OK 34 56 70 87 4.3-6.8 7910/4.0=45...(15) H SER 94 - QG2 VAL 132 far 0 73 0 - 7.7-9.0 H CYS 125 - QG2 VAL 132 far 0 73 0 - 8.0-10.0 H CYS 125 - QG1 VAL 132 far 0 46 0 - 8.4-11.5 H SER 94 - QG1 VAL 132 far 0 46 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 11736 from aliabs.peaks (0.83, 1.14, 23.00 ppm; 3.20 A): 5 out of 14 assignments used, quality = 1.00: QG2 ILE 129 + QG2 VAL 132 OK 98 100 100 98 2.1-3.4 4163/11737=38, 907=24...(41) QG1 VAL 133 + QG2 VAL 132 OK 93 95 100 99 1.9-3.8 11680=38, 11670/2.1=33...(43) QG1 VAL 133 + QG1 VAL 132 OK 41 64 65 98 3.7-5.0 11670/2.1=33, 11680=30...(41) QG2 ILE 129 + QG1 VAL 132 OK 31 72 45 97 3.5-5.1 ~11737=20, 907/2.1=20...(40) QG2 ILE 80 + QG2 VAL 132 OK 24 97 30 84 2.9-6.9 3.1/11738=21, ~9722=18...(34) HG13 ILE 80 - QG2 VAL 132 poor 19 93 25 82 4.2-7.5 2.1/11738=28, ~9722=24...(30) QG2 ILE 80 - QG1 VAL 132 far 3 66 5 - 4.7-7.1 HG13 ILE 80 - QG1 VAL 132 far 0 62 0 - 4.9-9.5 QD2 LEU 49 - QG2 VAL 132 far 0 60 0 - 7.9-10.1 QD1 LEU 70 - QG2 VAL 132 far 0 93 0 - 8.4-10.8 QD1 LEU 122 - QG2 VAL 132 far 0 83 0 - 8.6-11.2 QD1 LEU 70 - QG1 VAL 132 far 0 62 0 - 8.7-12.2 QD2 LEU 49 - QG1 VAL 132 far 0 36 0 - 9.2-10.9 QD1 LEU 122 - QG1 VAL 132 far 0 53 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 11737 from aliabs.peaks (0.64, 1.14, 23.00 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 129 + QG2 VAL 132 OK 99 100 100 100 3.7-5.1 10490=79, 10491/9947=36...(33) QD1 LEU 42 - QG2 VAL 132 poor 19 96 20 - 5.2-7.6 QD1 ILE 129 - QG1 VAL 132 poor 18 71 25 - 4.8-6.8 QD1 LEU 42 - QG1 VAL 132 far 0 65 0 - 7.2-8.6 Violated in 19 structures by 0.61 A. Peak 11738 from aliabs.peaks (0.27, 1.14, 23.00 ppm; 3.48 A): 3 out of 4 assignments used, quality = 0.87: QD1 ILE 80 + QG2 VAL 132 OK 68 100 70 96 2.8-6.0 9722/2.1=44...(41) QG2 VAL 93 + QG2 VAL 132 OK 40 78 65 79 4.5-7.1 10487/11737=26...(19) QD1 ILE 80 + QG1 VAL 132 OK 31 72 45 95 3.5-8.1 9722/2.1=44...(39) QG2 VAL 93 - QG1 VAL 132 far 0 49 0 - 5.4-8.3 Violated in 13 structures by 0.34 A. Peak 11739 from aliabs.peaks (0.27, 2.28, 31.42 ppm; 6.27 A): 2 out of 2 assignments used, quality = 0.99: QD1 ILE 80 + HB VAL 132 OK 94 99 95 100 2.3-8.6 10588/11764=89...(23) QG2 VAL 93 + HB VAL 132 OK 76 89 90 96 6.1-10.0 9924/11943=70...(8) Violated in 2 structures by 0.06 A. Peak 11740 from aliabs.peaks (0.27, 2.28, 31.59 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 80 + HB VAL 132 OK 89 94 95 100 2.3-8.6 10588/11764=93...(23) QG2 VAL 93 + HB VAL 132 OK 70 81 90 96 6.1-10.0 9924/11943=68...(8) Violated in 1 structures by 0.01 A. Peak 11741 from aliabs.peaks (2.40, 1.13, 22.78 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.84: HG3 GLU 128 + QG1 VAL 132 OK 72 83 90 96 2.6-7.9 11627=37, 11697/2.1=35...(14) HG3 GLU 128 + QG2 VAL 132 OK 44 53 85 97 3.0-7.8 11627=37, 11627/2.1=34...(14) HG2 GLN 82 - QG1 VAL 132 far 3 60 5 - 4.1-12.7 HG2 GLN 82 - QG2 VAL 132 far 0 36 0 - 6.3-10.9 Violated in 5 structures by 0.23 A. Peak 11742 from aliabs.peaks (1.43, 1.13, 22.78 ppm; 4.01 A): 2 out of 6 assignments used, quality = 0.97: QB ALA 92 + QG1 VAL 132 OK 89 100 90 99 3.7-5.7 9947=46, 9947/2.1=45...(26) QB ALA 92 + QG2 VAL 132 OK 72 72 100 99 3.2-4.5 9947=53, 10491/10490=45...(31) HG2 LYS 86 - QG2 VAL 132 far 0 59 0 - 5.9-9.6 HG2 LYS 86 - QG1 VAL 132 far 0 90 0 - 6.7-9.7 QB ALA 34 - QG2 VAL 132 far 0 61 0 - 7.9-15.8 QB ALA 34 - QG1 VAL 132 far 0 92 0 - 9.8-16.3 Violated in 3 structures by 0.01 A. Peak 11743 from aliabs.peaks (2.82, 1.13, 22.78 ppm; 4.00 A): 2 out of 3 assignments used, quality = 0.96: HB3 ASN 85 + QG1 VAL 132 OK 90 100 90 100 2.2-6.5 3.6/10545=49...(25) HB3 ASN 85 + QG2 VAL 132 OK 60 72 85 99 1.9-6.3 9794=33, 1.8/9790=31...(26) HB3 ASP 47 - QG2 VAL 132 far 0 58 0 - 9.7-13.2 Violated in 2 structures by 0.03 A. Peak 11744 from aliabs.peaks (3.25, 1.13, 22.78 ppm; 4.13 A): 2 out of 10 assignments used, quality = 0.98: HD3 ARG 135 + QG1 VAL 132 OK 97 97 100 100 1.9-5.2 10640=61, 1.8/11789=56...(41) HD3 ARG 135 + QG2 VAL 132 OK 43 66 65 100 3.8-6.4 10635/3.2=56...(41) HB2 PHE 87 - QG1 VAL 132 poor 17 87 20 - 5.1-9.2 HB3 PHE 87 - QG1 VAL 132 far 0 97 0 - 5.8-8.1 HB2 PHE 87 - QG2 VAL 132 far 0 56 0 - 6.4-8.4 HB3 PHE 87 - QG2 VAL 132 far 0 66 0 - 6.6-9.5 HA VAL 93 - QG2 VAL 132 far 0 67 0 - 6.7-8.0 HB3 HIS 4 - QG1 VAL 132 far 0 95 0 - 7.2-60.5 HA VAL 93 - QG1 VAL 132 far 0 97 0 - 7.4-9.8 HB3 HIS 4 - QG2 VAL 132 far 0 64 0 - 8.0-58.1 Violated in 6 structures by 0.05 A. Peak 11745 from aliabs.peaks (1.77, 1.13, 22.78 ppm; 4.09 A): 2 out of 6 assignments used, quality = 0.59: HG13 ILE 129 + QG1 VAL 132 OK 38 60 65 96 3.8-6.9 ~11737=46, ~10490=37...(21) HG13 ILE 129 + QG2 VAL 132 OK 34 36 100 93 3.5-4.9 2.1/10490=58...(19) HB2 LYS 86 - QG1 VAL 132 far 0 81 0 - 5.9-9.0 HB2 LYS 86 - QG2 VAL 132 far 0 51 0 - 6.3-8.9 HB2 LYS 39 - QG2 VAL 132 far 0 66 0 - 7.2-13.1 HB2 LYS 39 - QG1 VAL 132 far 0 97 0 - 8.8-14.0 Violated in 5 structures by 0.06 A. Peak 11746 from aliabs.peaks (2.79, 2.27, 31.65 ppm; 4.53 A): 2 out of 7 assignments used, quality = 0.57: HB3 ASN 85 + HB VAL 132 OK 41 42 100 98 2.0-5.7 ~10535=38, ~10535=37...(18) HB2 ASP 131 + HB VAL 132 OK 27 59 45 100 5.4-7.1 1.8/10516=67...(16) HB3 ASN 13 - HB VAL 105 far 0 72 0 - 7.2-49.9 HB2 ASN 13 - HB VAL 105 far 0 55 0 - 8.0-48.6 HB2 TYR 76 - HB VAL 132 far 0 51 0 - 8.2-13.1 HB3 ASN 120 - HB3 PRO 113 far 0 96 0 - 9.0-16.2 HB2 ASN 120 - HB3 PRO 113 far 0 93 0 - 9.3-16.9 Violated in 3 structures by 0.07 A. Peak 11747 from aliabs.peaks (0.83, 2.28, 31.42 ppm; 4.53 A): 4 out of 12 assignments used, quality = 1.00: QG1 VAL 133 + HB VAL 132 OK 100 100 100 100 3.1-4.8 11670=96, 2.1/11764=80...(25) QG2 ILE 129 + HB VAL 132 OK 97 97 100 100 3.5-5.8 3.2/4126=61, ~11737=44...(22) QG2 ILE 80 + HB VAL 132 OK 49 85 65 89 4.4-6.6 3.1/9722=29, ~11738=23...(18) HG13 ILE 80 + HB VAL 132 OK 35 78 50 88 3.9-9.7 2.1/9722=35, ~11738=30...(17) QG2 VAL 57 - HB3 PRO 113 poor 14 57 25 - 3.8-11.6 QD1 LEU 122 - HB3 PRO 113 far 2 46 5 - 5.8-14.8 QD1 LEU 70 - HB VAL 105 far 0 39 0 - 8.0-12.9 QD2 LEU 70 - HB VAL 105 far 0 38 0 - 9.2-13.2 QD1 LEU 98 - HB VAL 105 far 0 35 0 - 9.2-13.5 QD2 LEU 22 - HB VAL 105 far 0 57 0 - 9.7-35.5 QD1 LEU 122 - HB VAL 105 far 0 30 0 - 9.8-13.3 QD2 LEU 70 - HB3 PRO 113 far 0 57 0 - 9.9-19.0 Violated in 0 structures by 0.00 A. Peak 11748 from aliabs.peaks (3.90, 1.13, 22.78 ppm; 4.14 A): 2 out of 13 assignments used, quality = 0.61: HA LYS 86 + QG1 VAL 132 OK 38 95 50 80 4.6-7.1 4.9/10541=26...(13) HA LYS 86 + QG2 VAL 132 OK 37 64 75 78 4.4-7.2 9727/11656=18...(14) HA2 GLY 2 - QG1 VAL 132 far 5 100 5 - 4.7-64.9 HA3 GLY 2 - QG1 VAL 132 far 5 100 5 - 5.5-65.4 HA3 GLY 2 - QG2 VAL 132 far 4 72 5 - 4.9-62.9 HA2 GLY 2 - QG2 VAL 132 far 4 71 5 - 4.7-62.4 HA LEU 70 - QG2 VAL 132 far 0 55 0 - 8.5-10.2 HA ALA 46 - QG2 VAL 132 far 0 69 0 - 8.5-11.0 HB3 SER 50 - QG2 VAL 132 far 0 51 0 - 9.1-12.7 HB2 SER 94 - QG2 VAL 132 far 0 72 0 - 9.3-11.2 HA ALA 46 - QG1 VAL 132 far 0 99 0 - 9.8-11.9 HA3 GLY 75 - QG2 VAL 132 far 0 70 0 - 10.0-12.7 HB2 SER 94 - QG1 VAL 132 far 0 100 0 - 10.0-12.3 Violated in 20 structures by 0.42 A. Peak 11749 from aliabs.peaks (4.01, 1.13, 22.78 ppm; 4.54 A): 1 out of 12 assignments used, quality = 0.25: HA ARG 135 + QG1 VAL 132 OK 25 100 25 100 5.5-7.1 3.0/11659=53...(21) HD3 PRO 81 - QG2 VAL 132 poor 20 49 40 - 4.8-9.3 HD3 PRO 81 - QG1 VAL 132 far 4 78 5 - 5.4-8.8 HA ARG 135 - QG2 VAL 132 far 0 72 0 - 6.2-7.3 HB2 SER 124 - QG1 VAL 132 far 0 71 0 - 8.4-12.5 HB2 SER 124 - QG2 VAL 132 far 0 44 0 - 8.4-11.8 HA LEU 122 - QG2 VAL 132 far 0 44 0 - 9.4-11.8 HB3 SER 124 - QG1 VAL 132 far 0 100 0 - 9.7-13.0 HB3 SER 124 - QG2 VAL 132 far 0 72 0 - 9.7-11.8 HB2 SER 38 - QG2 VAL 132 far 0 66 0 - 9.7-14.8 HA SER 50 - QG2 VAL 132 far 0 56 0 - 9.9-13.8 HA ILE 37 - QG2 VAL 132 far 0 70 0 - 10.0-14.9 Violated in 20 structures by 1.84 A. Peak 11750 from aliabs.peaks (3.78, 3.50, 66.53 ppm; 4.78 A): 1 out of 4 assignments used, quality = 0.96: HA VAL 133 + HA VAL 132 OK 96 96 100 100 4.7-4.9 3.6/7941=48...(35) HA SER 130 - HA VAL 132 far 0 99 0 - 6.4-6.7 HB3 SER 130 - HA VAL 132 far 0 99 0 - 7.6-8.5 HA LEU 43 - HA VAL 132 far 0 100 0 - 8.7-10.5 Violated in 13 structures by 0.03 A. Peak 11751 from aliabs.peaks (4.02, 3.50, 66.53 ppm; 5.63 A): 1 out of 2 assignments used, quality = 1.00: HA ARG 135 + HA VAL 132 OK 100 100 100 100 4.4-5.6 3.0/10624=93, 10637=89...(15) HD3 PRO 81 - HA VAL 132 far 14 93 15 - 5.6-9.9 Violated in 0 structures by 0.00 A. Peak 11752 from aliabs.peaks (4.31, 3.50, 66.53 ppm; 5.55 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 131 + HA VAL 132 OK 99 99 100 100 4.7-4.7 4.9=100 HA PRO 81 - HA VAL 132 far 0 95 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 11753 from aliabs.peaks (8.49, 2.19, 31.57 ppm; 6.39 A): 1 out of 2 assignments used, quality = 0.93: H VAL 132 + HB VAL 133 OK 93 93 100 100 5.1-6.0 3.3/7933=100...(23) H ASP 47 - HB VAL 133 far 0 60 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 11754 from aliabs.peaks (8.29, 0.84, 22.12 ppm; 4.62 A): 2 out of 8 assignments used, quality = 1.00: H LEU 43 + QG1 VAL 133 OK 99 99 100 100 3.5-6.0 4.4/11679=70...(22) H ASP 131 + QG1 VAL 133 OK 76 76 100 100 3.6-4.3 7925/4245=43...(28) H GLU 40 - QG1 VAL 133 far 0 99 0 - 6.2-9.2 H TYR 72 - QG1 VAL 133 far 0 68 0 - 7.8-9.2 H VAL 126 - QG1 VAL 133 far 0 90 0 - 8.2-9.2 H LEU 49 - QG1 VAL 133 far 0 100 0 - 8.9-12.2 H LEU 69 - QG1 VAL 133 far 0 100 0 - 9.2-10.9 H LEU 96 - QG1 VAL 133 far 0 83 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 11755 from aliabs.peaks (8.50, 0.84, 22.12 ppm; 6.04 A): 1 out of 2 assignments used, quality = 0.65: H VAL 132 + QG1 VAL 133 OK 65 65 100 100 3.1-3.6 3.3/4245=97...(28) H HIS 4 - QG1 VAL 133 far 0 95 0 - 8.5-56.2 Violated in 0 structures by 0.00 A. Peak 11756 from aliabs.peaks (7.41, 0.84, 22.12 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + QG1 VAL 133 OK 100 100 100 100 1.7-2.7 10552/2.1=91...(27) Violated in 0 structures by 0.00 A. Peak 11757 from aliabs.peaks (3.87, 1.04, 23.71 ppm; 4.41 A): 1 out of 8 assignments used, quality = 0.70: HD2 PRO 81 + QG2 VAL 133 OK 70 81 90 96 2.8-7.0 3.8/11758=47...(25) HA LYS 86 - QG2 VAL 133 far 0 93 0 - 6.3-8.8 HA ALA 46 - QG2 VAL 133 far 0 85 0 - 7.1-9.7 HA2 GLY 2 - QG2 VAL 133 far 0 76 0 - 7.8-60.7 HA3 GLY 2 - QG2 VAL 133 far 0 73 0 - 8.7-61.2 HA3 GLY 75 - QG2 VAL 133 far 0 83 0 - 8.9-11.9 HA LEU 70 - QG2 VAL 133 far 0 99 0 - 9.1-10.6 HB3 SER 50 - QG2 VAL 133 far 0 99 0 - 9.3-12.0 Violated in 8 structures by 0.41 A. Peak 11758 from aliabs.peaks (4.09, 1.04, 23.71 ppm; 4.91 A): 1 out of 4 assignments used, quality = 0.53: HA ILE 80 + QG2 VAL 133 OK 53 60 90 99 3.6-7.0 4.2/10588=69...(21) HA PHE 89 - QG2 VAL 133 far 0 97 0 - 6.8-7.7 HA CYS 79 - QG2 VAL 133 far 0 97 0 - 7.0-10.4 HA CYS 45 - QG2 VAL 133 far 0 85 0 - 8.8-10.5 Violated in 7 structures by 0.37 A. Peak 11759 from aliabs.peaks (4.36, 1.04, 23.71 ppm; 4.59 A): 2 out of 6 assignments used, quality = 1.00: HA GLN 134 + QG2 VAL 133 OK 100 100 100 100 2.7-3.3 3.0/7946=74...(25) HA CYS 73 + QG2 VAL 133 OK 30 83 40 90 5.2-7.4 11145/10552=45...(12) HA ASP 47 - QG2 VAL 133 far 0 83 0 - 6.9-10.5 HA LEU 69 - QG2 VAL 133 far 0 98 0 - 7.7-9.8 HA LYS 24 - QG2 VAL 133 far 0 63 0 - 8.4-27.0 HA ASP 78 - QG2 VAL 133 far 0 65 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 11760 from aliabs.peaks (4.29, 1.04, 23.71 ppm; 6.21 A): 2 out of 7 assignments used, quality = 0.98: HA ASP 131 + QG2 VAL 133 OK 92 92 100 100 4.0-6.3 3.6/10564=89...(20) HA TYR 76 + QG2 VAL 133 OK 79 93 85 100 5.5-9.2 4.7/10555=88...(14) HA THR 18 - QG2 VAL 133 far 5 96 5 - 7.5-33.2 HA LYS 36 - QG2 VAL 133 far 0 98 0 - 7.8-14.3 HA ALA 21 - QG2 VAL 133 far 0 100 0 - 8.8-30.1 HA SER 74 - QG2 VAL 133 far 0 100 0 - 8.9-11.1 HA THR 25 - QG2 VAL 133 far 0 100 0 - 9.3-25.4 Violated in 0 structures by 0.00 A. Peak 11761 from aliabs.peaks (4.35, 0.84, 22.12 ppm; 4.88 A): 1 out of 6 assignments used, quality = 0.99: HA GLN 134 + QG1 VAL 133 OK 99 99 100 100 3.9-5.3 3.0/4250=82...(21) HA ASP 47 - QG1 VAL 133 far 0 97 0 - 6.7-10.9 HA PRO 81 - QG1 VAL 133 far 0 83 0 - 6.7-9.0 HA LEU 69 - QG1 VAL 133 far 0 100 0 - 7.0-8.9 HA CYS 125 - QG1 VAL 133 far 0 98 0 - 8.5-9.4 HA2 GLY 75 - QG1 VAL 133 far 0 78 0 - 8.6-10.4 Violated in 6 structures by 0.11 A. Peak 11762 from aliabs.peaks (3.48, 0.84, 22.12 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.99: HA VAL 132 + QG1 VAL 133 OK 95 95 100 100 4.5-4.9 3.6/4245=82...(31) HA LEU 42 + QG1 VAL 133 OK 86 90 95 100 4.5-6.7 3.9/10585=80...(12) Violated in 0 structures by 0.00 A. Peak 11763 from aliabs.peaks (3.37, 1.04, 23.71 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.69: HA LYS 39 + QG2 VAL 133 OK 57 57 100 100 2.0-6.0 3.0/11767=78...(18) HB3 PHE 89 + QG2 VAL 133 OK 27 60 45 99 5.5-7.4 2.7/10554=85...(15) HB3 TYR 72 - QG2 VAL 133 far 3 65 5 - 5.5-8.6 Violated in 3 structures by 0.06 A. Peak 11764 from aliabs.peaks (2.29, 1.04, 23.71 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.29: HB VAL 132 + QG2 VAL 133 OK 29 97 30 100 5.2-6.4 11670/2.1=63...(26) HG2 GLU 40 - QG2 VAL 133 far 10 100 10 - 5.0-9.8 HG2 GLU 44 - QG2 VAL 133 far 0 73 0 - 8.1-10.5 HG3 GLN 68 - QG2 VAL 133 far 0 65 0 - 10.0-14.1 Violated in 20 structures by 1.76 A. Peak 11765 from aliabs.peaks (2.31, 0.84, 22.12 ppm; 4.61 A): 1 out of 6 assignments used, quality = 0.90: HB3 GLN 134 + QG1 VAL 133 OK 90 90 100 100 3.6-5.6 2.9/10576=63...(25) HB VAL 77 - QG1 VAL 133 far 7 65 10 - 5.8-7.9 HG2 GLU 128 - QG1 VAL 133 far 0 63 0 - 6.2-8.5 HG2 GLU 40 - QG1 VAL 133 far 0 76 0 - 6.9-11.3 HG2 GLU 44 - QG1 VAL 133 far 0 100 0 - 8.3-11.2 HG3 GLN 68 - QG1 VAL 133 far 0 99 0 - 9.4-13.4 Violated in 13 structures by 0.35 A. Peak 11766 from aliabs.peaks (1.35, 1.04, 23.71 ppm; 4.52 A): 2 out of 6 assignments used, quality = 0.89: HB2 LEU 42 + QG2 VAL 133 OK 71 71 100 100 2.0-5.9 3.1/10587=83...(32) QB ALA 46 + QG2 VAL 133 OK 64 98 65 100 4.2-6.5 9176/11776=81...(14) QB ALA 21 - QG2 VAL 133 far 0 100 0 - 8.6-26.3 QB ALA 12 - QG2 VAL 133 far 0 97 0 - 8.7-29.9 HG2 LYS 24 - QG2 VAL 133 far 0 63 0 - 9.1-26.3 QB ALA 29 - QG2 VAL 133 far 0 57 0 - 9.3-15.9 Violated in 5 structures by 0.07 A. Peak 11767 from aliabs.peaks (1.75, 1.04, 23.71 ppm; 4.12 A): 1 out of 5 assignments used, quality = 0.69: HB2 LYS 39 + QG2 VAL 133 OK 69 93 75 99 2.2-7.5 2.9/10567=50, ~10578=35...(19) HB ILE 80 - QG2 VAL 133 far 9 95 10 - 4.7-8.7 HG13 ILE 129 - QG2 VAL 133 far 0 100 0 - 6.6-8.4 HG3 ARG 90 - QG2 VAL 133 far 0 97 0 - 8.5-12.2 HB2 ARG 23 - QG2 VAL 133 far 0 100 0 - 9.4-27.8 Violated in 11 structures by 0.85 A. Peak 11768 from aliabs.peaks (1.73, 0.84, 22.12 ppm; 3.92 A): 1 out of 7 assignments used, quality = 0.57: HG13 ILE 129 + QG1 VAL 133 OK 57 97 65 91 4.5-6.4 4155=28, 2.9/4131=25...(20) HB ILE 80 - QG1 VAL 133 poor 20 100 20 - 4.4-7.6 HD3 LYS 39 - QG1 VAL 133 far 8 83 10 - 4.7-9.2 HB2 LYS 39 - QG1 VAL 133 far 6 60 10 - 4.8-8.8 HG3 ARG 90 - QG1 VAL 133 far 0 100 0 - 7.1-10.8 HB2 LEU 70 - QG1 VAL 133 far 0 63 0 - 9.1-11.3 HB3 LEU 70 - QG1 VAL 133 far 0 85 0 - 9.6-11.4 Violated in 20 structures by 1.39 A. Peak 11769 from aliabs.peaks (1.50, 0.84, 22.12 ppm; 4.68 A): 1 out of 4 assignments used, quality = 0.85: HG LEU 42 + QG1 VAL 133 OK 85 85 100 100 2.8-5.2 2.1/10585=94, ~10587=70...(28) HG LEU 69 - QG1 VAL 133 far 15 97 15 - 5.7-8.9 HG3 LYS 86 - QG1 VAL 133 far 6 57 10 - 5.8-8.9 HB2 LEU 49 - QG1 VAL 133 far 0 98 0 - 9.8-12.7 Violated in 6 structures by 0.06 A. Peak 11770 from aliabs.peaks (0.76, 2.19, 31.57 ppm; 4.25 A): 1 out of 7 assignments used, quality = 0.82: QD2 LEU 43 + HB VAL 133 OK 82 97 85 100 1.9-6.5 9128=94, 11678/2.1=91...(27) QD1 ILE 37 - HB VAL 133 far 5 95 5 - 5.7-11.7 HG12 ILE 129 - HB VAL 133 far 0 98 0 - 6.0-9.1 QG1 VAL 93 - HB VAL 133 far 0 100 0 - 7.7-10.1 QD1 LEU 96 - HB VAL 133 far 0 87 0 - 7.8-12.1 QD2 LEU 96 - HB VAL 133 far 0 99 0 - 7.9-11.7 QD1 ILE 32 - HB VAL 133 far 0 95 0 - 9.7-18.1 Violated in 3 structures by 0.32 A. Peak 11771 from aliabs.peaks (0.66, 2.19, 31.57 ppm; 5.56 A): 3 out of 3 assignments used, quality = 0.98: QD1 LEU 43 + HB VAL 133 OK 92 92 100 100 3.3-7.0 2.1/9128=100, ~11679=92...(21) QD1 LEU 42 + HB VAL 133 OK 60 60 100 100 3.0-5.8 2.1/9087=99, ~10587=88...(34) QD1 ILE 129 + HB VAL 133 OK 24 96 25 100 6.5-8.4 ~11768=79...(25) Violated in 0 structures by 0.00 A. Peak 11772 from aliabs.peaks (0.57, 2.19, 31.57 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 42 + HB VAL 133 OK 97 97 100 100 2.1-4.4 10585/2.1=99...(36) Violated in 0 structures by 0.00 A. Peak 11774 from aliabs.peaks (0.65, 1.04, 23.71 ppm; 3.31 A): 1 out of 2 assignments used, quality = 0.85: QD1 LEU 42 + QG2 VAL 133 OK 85 95 90 100 2.8-4.9 2.1/10587=67...(38) QD1 ILE 129 - QG2 VAL 133 far 0 100 0 - 6.1-7.6 Violated in 14 structures by 0.63 A. Peak 11775 from aliabs.peaks (0.65, 0.84, 22.12 ppm; 3.46 A): 2 out of 3 assignments used, quality = 0.95: QD1 LEU 42 + QG1 VAL 133 OK 90 90 100 100 2.4-4.5 11774/2.1=70...(37) QD1 LEU 43 + QG1 VAL 133 OK 44 63 70 100 3.3-5.5 2.1/11679=83...(29) QD1 ILE 129 - QG1 VAL 133 far 10 100 10 - 4.5-5.9 Violated in 8 structures by 0.12 A. Peak 11776 from aliabs.peaks (0.74, 1.04, 23.71 ppm; 3.24 A): 1 out of 7 assignments used, quality = 1.00: QD2 LEU 43 + QG2 VAL 133 OK 100 100 100 100 1.6-3.8 11090=90, 11777/2.1=67...(40) QD1 ILE 37 - QG2 VAL 133 far 4 76 5 - 4.3-9.4 HG12 ILE 129 - QG2 VAL 133 far 0 100 0 - 6.9-8.7 QD2 LEU 96 - QG2 VAL 133 far 0 100 0 - 7.2-10.4 QG1 VAL 93 - QG2 VAL 133 far 0 100 0 - 7.2-9.1 QD1 ILE 32 - QG2 VAL 133 far 0 76 0 - 7.4-15.1 QD1 LEU 96 - QG2 VAL 133 far 0 63 0 - 7.6-10.1 Violated in 3 structures by 0.06 A. Peak 11777 from aliabs.peaks (0.74, 0.84, 22.12 ppm; 3.13 A): 1 out of 6 assignments used, quality = 0.95: QD2 LEU 43 + QG1 VAL 133 OK 95 100 95 100 1.7-4.9 11776/2.1=60...(34) QD1 ILE 37 - QG1 VAL 133 far 0 68 0 - 4.9-9.0 HG12 ILE 129 - QG1 VAL 133 far 0 100 0 - 5.0-6.4 QG1 VAL 93 - QG1 VAL 133 far 0 99 0 - 5.2-7.7 QD2 LEU 96 - QG1 VAL 133 far 0 99 0 - 5.9-8.8 QD1 ILE 32 - QG1 VAL 133 far 0 68 0 - 8.1-14.4 Violated in 6 structures by 0.23 A. Peak 11778 from aliabs.peaks (1.14, 0.84, 22.12 ppm; 3.40 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 132 + QG1 VAL 133 OK 99 100 100 99 1.9-3.8 2.1/11670=43...(43) QG1 VAL 132 + QG1 VAL 133 OK 84 95 90 99 3.7-5.0 2.1/11670=43...(39) HG2 LYS 39 + QG1 VAL 133 OK 43 99 45 95 3.9-6.9 4.0/10577=34...(22) HG3 LYS 39 - QG1 VAL 133 far 0 83 0 - 5.0-7.8 QG2 THR 18 - QG1 VAL 133 far 0 73 0 - 7.7-28.7 Violated in 1 structures by 0.01 A. Peak 11779 from aliabs.peaks (1.68, 4.35, 56.69 ppm; 6.80 A): 4 out of 14 assignments used, quality = 0.99: HD2 LYS 39 + HA GLN 134 OK 82 100 85 97 3.3-9.6 ~10606=69...(12) HG2 ARG 135 + HA GLN 134 OK 74 76 100 98 5.3-7.1 7983/3.6=76, ~7948=42...(11) HB2 LEU 43 + HA GLN 134 OK 71 71 100 100 4.5-8.1 3.2/11899=96...(21) HB2 LEU 43 + HA ASP 47 OK 32 44 100 72 6.0-7.6 9183/10901=35, ~9181=24...(5) HB2 LEU 69 - HA ASP 47 poor 7 36 20 - 7.5-10.9 HD3 LYS 26 - HA ASP 47 far 3 58 5 - 6.1-27.8 HD2 LYS 26 - HA ASP 47 far 3 53 5 - 5.8-27.9 HD2 LYS 19 - HA ASP 47 far 2 36 5 - 6.6-39.9 HD2 LYS 24 - HA ASP 47 far 0 56 0 - 8.6-31.6 HD3 LYS 24 - HA ASP 47 far 0 42 0 - 9.3-30.3 HD3 LYS 36 - HA ASP 47 far 0 56 0 - 9.4-18.3 HD3 LYS 24 - HA GLN 134 far 0 68 0 - 9.6-34.6 QB ALA 88 - HA GLN 134 far 0 90 0 - 9.6-11.1 HD2 LYS 36 - HA ASP 47 far 0 58 0 - 9.9-18.5 Violated in 0 structures by 0.00 A. Peak 11780 from aliabs.peaks (1.05, 4.35, 56.69 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.95: QG2 VAL 133 + HA GLN 134 OK 95 95 100 100 2.7-3.3 2.1/11761=91...(25) QG2 VAL 133 - HA ASP 47 far 3 64 5 - 6.9-10.5 Violated in 0 structures by 0.00 A. Peak 11781 from aliabs.peaks (0.70, 4.35, 56.69 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.83: QD1 LEU 43 + HA GLN 134 OK 83 83 100 100 1.9-4.4 2.1/11682=75, 11899=74...(22) QD1 LEU 43 - HA ASP 47 far 3 53 5 - 6.2-8.8 QD2 LEU 62 - HA ASP 47 far 0 51 0 - 7.4-10.3 Violated in 0 structures by 0.00 A. Peak 11782 from aliabs.peaks (0.75, 2.65, 35.98 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 43 + HG2 GLN 134 OK 100 100 100 100 2.5-5.6 9124=98, 2.1/9121=80...(31) HG12 ILE 129 - HG2 GLN 134 far 0 100 0 - 9.2-10.0 QD1 ILE 37 - HG2 GLN 134 far 0 83 0 - 9.6-14.4 Violated in 3 structures by 0.08 A. Peak 11783 from aliabs.peaks (3.50, 2.03, 27.30 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.99: HA VAL 132 + HG3 ARG 135 OK 99 99 100 100 1.8-4.5 10526=74, 10019/1.8=72...(29) HA VAL 132 - HG3 PRO 81 far 7 68 10 - 4.7-8.8 Violated in 1 structures by 0.02 A. Peak 11784 from aliabs.peaks (4.13, 2.03, 27.30 ppm; 4.09 A): 1 out of 8 assignments used, quality = 0.68: HA ILE 80 + HG3 PRO 81 OK 68 68 100 100 4.4-4.7 2478/2.3=76...(24) HA3 GLY 114 - HG3 PRO 117 far 0 60 0 - 7.4-11.8 HA3 GLY 114 - HG2 PRO 117 far 0 60 0 - 7.7-11.4 HB THR 83 - HG3 PRO 81 far 0 47 0 - 8.1-10.3 HA ILE 80 - HG3 ARG 135 far 0 100 0 - 8.1-10.9 HA CYS 79 - HG3 PRO 81 far 0 44 0 - 8.5-9.0 HA LEU 98 - HG2 PRO 117 far 0 39 0 - 9.6-13.3 HB THR 83 - HG3 ARG 135 far 0 78 0 - 9.8-14.7 Violated in 20 structures by 0.42 A. Peak 11785 from aliabs.peaks (2.81, 2.03, 27.30 ppm; 4.35 A): 2 out of 8 assignments used, quality = 0.84: HB3 ASN 85 + HG3 ARG 135 OK 70 99 80 89 3.0-7.5 ~9800=31, 10302=31...(13) HB3 ASN 85 + HG3 PRO 81 OK 48 66 95 76 3.0-6.4 11222/11226=26, 10302=23...(12) HB2 ASN 121 - HG2 PRO 117 poor 19 54 35 - 4.1-8.0 HB2 ASN 121 - HG3 PRO 117 poor 11 54 20 - 4.9-8.2 HB2 ASN 120 - HG3 PRO 117 far 0 58 0 - 6.2-9.7 HB2 ASN 120 - HG2 PRO 117 far 0 58 0 - 6.4-9.3 HB3 ASN 120 - HG2 PRO 117 far 0 57 0 - 6.8-9.1 HB3 ASN 120 - HG3 PRO 117 far 0 57 0 - 7.0-9.6 Violated in 11 structures by 0.15 A. Peak 11786 from aliabs.peaks (1.12, 1.89, 30.87 ppm; 5.16 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 132 + HB2 ARG 135 OK 99 99 100 100 3.2-6.4 11749/3.0=76...(37) QG2 VAL 132 + HB2 ARG 135 OK 70 83 85 100 4.3-6.9 3.2/10638=72, ~11659=55...(37) HG2 LYS 39 - HB2 ARG 135 far 0 92 0 - 7.7-13.7 Violated in 7 structures by 0.10 A. Peak 11787 from aliabs.peaks (1.13, 1.82, 30.87 ppm; 4.81 A): 2 out of 7 assignments used, quality = 1.00: QG1 VAL 132 + HB3 ARG 135 OK 100 100 100 100 4.0-6.2 11749/3.0=70...(39) QG2 VAL 132 + HB3 ARG 135 OK 67 96 70 100 5.1-6.7 3.2/11884=63, ~11749=46...(38) HG12 ILE 32 - HB3 ARG 23 far 3 53 5 - 5.9-18.2 QG2 VAL 132 - HB VAL 93 far 0 47 0 - 6.5-8.5 HG2 LYS 39 - HB3 ARG 135 far 0 99 0 - 7.1-12.4 QG1 VAL 132 - HB VAL 93 far 0 53 0 - 7.7-9.6 HG12 ILE 32 - HB VAL 93 far 0 30 0 - 9.8-20.5 Violated in 8 structures by 0.14 A. Peak 11788 from aliabs.peaks (1.14, 1.70, 27.30 ppm; 4.64 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + HG2 ARG 135 OK 100 100 100 100 4.1-6.0 3.2/10019=69, ~11783=49...(42) QG1 VAL 132 + HG2 ARG 135 OK 92 92 100 100 2.5-5.1 3.2/10019=69...(42) HG2 LYS 39 - HG2 ARG 135 far 0 99 0 - 7.4-13.6 HG3 LYS 39 - HG2 ARG 135 far 0 87 0 - 8.9-14.6 Violated in 3 structures by 0.01 A. Peak 11789 from aliabs.peaks (1.13, 2.92, 44.19 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 132 + HD2 ARG 135 OK 100 100 100 100 2.5-5.2 3.2/10529=47...(37) QG2 VAL 132 + HD2 ARG 135 OK 54 97 55 100 3.5-6.8 3.2/10529=47, ~10635=30...(37) HG2 LYS 39 - HD2 ARG 135 far 0 100 0 - 7.9-14.5 Violated in 8 structures by 0.32 A. Peak 11790 from aliabs.peaks (2.03, 2.03, 16.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 11 + QE MET 11 OK 100 100 - 100 Peak 11791 from aliabs.peaks (2.44, 2.03, 16.66 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.95: HG2 MET 11 + QE MET 11 OK 95 99 100 96 2.1-3.4 3.3=77, 1.8/11792=65...(6) HB3 PRO 58 - QE MET 11 far 0 60 0 - 4.8-39.6 Violated in 7 structures by 0.11 A. Peak 11792 from aliabs.peaks (2.54, 2.03, 16.66 ppm; 3.14 A): 1 out of 3 assignments used, quality = 0.67: HG3 MET 11 + QE MET 11 OK 67 68 100 98 2.2-3.4 3.3=86, 1.8/11791=72...(6) HG3 GLU 102 - QE MET 11 far 0 63 0 - 7.8-45.4 HG3 GLN 101 - QE MET 11 far 0 87 0 - 9.0-43.3 Violated in 6 structures by 0.05 A. Peak 11793 from aliabs.peaks (2.61, 2.03, 16.66 ppm; 3.57 A): 0 out of 2 assignments used, quality = 0.00: HB3 CYS 79 - QE MET 11 far 0 97 0 - 6.1-36.7 HB2 ASN 59 - QE MET 11 far 0 100 0 - 9.0-41.1 Violated in 20 structures by 15.11 A. Peak 11794 from aliabs.peaks (1.65, 2.03, 16.66 ppm; 2.99 A): 0 out of 7 assignments used, quality = 0.00: HD3 LYS 19 - QE MET 11 far 5 100 5 - 3.0-21.0 HD2 LYS 19 - QE MET 11 far 5 100 5 - 3.8-20.6 HG LEU 22 - QE MET 11 far 0 71 0 - 6.0-20.6 HB3 LEU 22 - QE MET 11 far 0 60 0 - 6.9-19.7 HD3 LYS 24 - QE MET 11 far 0 99 0 - 8.4-20.9 HD2 LYS 24 - QE MET 11 far 0 92 0 - 9.0-20.2 HG3 ARG 23 - QE MET 11 far 0 68 0 - 9.7-18.6 Violated in 19 structures by 4.59 A. Peak 11795 from aliabs.peaks (1.54, 2.03, 16.66 ppm; 3.09 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 22 - QE MET 11 far 0 100 0 - 7.9-18.9 HG LEU 103 - QE MET 11 far 0 93 0 - 8.3-41.5 HG2 ARG 23 - QE MET 11 far 0 87 0 - 9.3-18.8 Violated in 20 structures by 8.39 A. Peak 11796 from aliabs.peaks (1.46, 2.03, 16.66 ppm; 3.23 A): 0 out of 3 assignments used, quality = 0.00: HG3 LYS 19 - QE MET 11 far 3 65 5 - 4.1-21.6 QB ALA 52 - QE MET 11 far 0 92 0 - 9.2-27.7 HG2 LYS 31 - QE MET 11 far 0 99 0 - 9.9-25.8 Violated in 20 structures by 6.26 A. Peak 11797 from aliabs.peaks (1.32, 2.03, 16.66 ppm; 3.41 A): 0 out of 1 assignment used, quality = 0.00: QB ALA 21 - QE MET 11 far 0 60 0 - 6.4-19.5 Violated in 20 structures by 7.38 A. Peak 11798 from aliabs.peaks (2.74, 2.03, 16.66 ppm; 3.41 A): 0 out of 4 assignments used, quality = 0.00: HB3 ASN 13 - QE MET 11 far 10 68 15 - 2.4-10.2 HB3 ASP 78 - QE MET 11 far 0 85 0 - 7.2-39.5 HB3 ASP 35 - QE MET 11 far 0 92 0 - 9.1-31.1 HB2 ASP 64 - QE MET 11 far 0 98 0 - 9.7-34.4 Violated in 19 structures by 4.11 A. Peak 11799 from aliabs.peaks (4.41, 2.03, 16.66 ppm; 4.65 A): 1 out of 6 assignments used, quality = 0.99: HA MET 11 + QE MET 11 OK 99 99 100 100 2.0-5.3 130/11791=78, 5.1=75...(10) HA SER 9 - QE MET 11 far 9 63 15 - 4.0-9.6 HA SER 107 - QE MET 11 far 4 85 5 - 5.8-45.0 HA HIS 5 - QE MET 11 far 0 100 0 - 7.4-20.3 HA ASP 78 - QE MET 11 far 0 73 0 - 8.1-40.1 HA VAL 112 - QE MET 11 far 0 97 0 - 8.9-47.0 Violated in 3 structures by 0.10 A. Peak 11803 from aliabs.peaks (2.74, 0.75, 26.12 ppm; 4.45 A): 2 out of 5 assignments used, quality = 1.00: HB2 CYS 125 + QD2 LEU 96 OK 99 99 100 100 2.4-5.1 1.8/9989=72, ~9987=61...(34) HB2 CYS 73 + QD2 LEU 96 OK 92 100 95 97 2.3-6.1 3.4/11693=49...(18) HB2 TYR 76 - QD2 LEU 96 far 0 71 0 - 6.1-10.3 HB2 ASP 131 - QD2 LEU 96 far 0 60 0 - 8.5-12.5 HB2 ASP 47 - QD2 LEU 96 far 0 78 0 - 9.5-15.2 Violated in 3 structures by 0.03 A. Peak 11804 from aliabs.peaks (1.15, 0.75, 26.12 ppm; 4.37 A): 0 out of 3 assignments used, quality = 0.00: QG2 VAL 132 - QD2 LEU 96 far 10 99 10 - 5.3-8.2 QG1 VAL 132 - QD2 LEU 96 far 0 87 0 - 6.5-9.8 HG12 ILE 32 - QD2 LEU 96 far 0 99 0 - 8.9-15.5 Violated in 20 structures by 2.23 A. Peak 11805 from aliabs.peaks (1.66, 0.75, 26.12 ppm; 3.48 A): 1 out of 13 assignments used, quality = 0.30: HB2 LEU 69 + QD2 LEU 96 OK 30 99 35 87 3.7-7.8 3.0/11040=24...(20) HD3 LYS 95 - QD2 LEU 96 far 10 100 10 - 4.9-8.8 HD2 LYS 95 - QD2 LEU 96 far 5 100 5 - 4.8-8.6 HB2 LEU 98 - QD2 LEU 96 far 0 96 0 - 6.2-9.1 QB ALA 88 - QD2 LEU 96 far 0 100 0 - 6.8-9.2 HB2 LEU 123 - QD2 LEU 96 far 0 98 0 - 7.4-9.9 HD2 LYS 36 - QD2 LEU 96 far 0 100 0 - 8.4-14.0 HG LEU 43 - QD2 LEU 96 far 0 92 0 - 9.2-13.7 HG LEU 62 - QD2 LEU 96 far 0 95 0 - 9.5-12.5 HD3 LYS 86 - QD2 LEU 96 far 0 100 0 - 9.5-13.9 HD3 LYS 31 - QD2 LEU 96 far 0 100 0 - 9.6-19.8 HD3 LYS 36 - QD2 LEU 96 far 0 100 0 - 9.7-14.2 HD2 LYS 31 - QD2 LEU 96 far 0 100 0 - 10.0-18.7 Violated in 20 structures by 2.57 A. Peak 11806 from aliabs.peaks (3.26, 0.75, 26.12 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 93 + QD2 LEU 96 OK 99 99 100 100 1.5-2.9 7311/5.1=39, 3065/3.2=38...(54) Violated in 0 structures by 0.00 A. Peak 11807 from aliabs.peaks (3.42, 0.75, 26.12 ppm; 4.70 A): 1 out of 4 assignments used, quality = 0.95: HA VAL 126 + QD2 LEU 96 OK 95 96 100 100 1.7-5.6 11452/2.1=63...(34) HA VAL 77 - QD2 LEU 96 far 0 65 0 - 7.4-9.4 HB3 HIS 67 - QD2 LEU 96 far 0 90 0 - 7.6-9.6 HA LYS 39 - QD2 LEU 96 far 0 71 0 - 9.0-13.4 Violated in 9 structures by 0.16 A. Peak 11808 from aliabs.peaks (3.65, 0.77, 23.66 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.72: HA2 GLY 66 + QD1 LEU 96 OK 61 90 85 80 4.4-6.2 9991/2.1=70...(6) HA3 GLY 66 + QD1 LEU 96 OK 28 97 45 64 4.4-6.8 ~9991=53, 11053/11040=12...(5) Violated in 18 structures by 0.62 A. Peak 11809 from aliabs.peaks (3.77, 0.75, 26.12 ppm; 4.14 A): 1 out of 7 assignments used, quality = 0.93: HA GLU 97 + QD2 LEU 96 OK 93 97 95 100 2.4-5.9 11451/2.1=73...(40) HA ARG 90 - QD2 LEU 96 far 10 65 15 - 5.4-6.3 HB2 SER 99 - QD2 LEU 96 far 5 97 5 - 5.1-8.2 HB3 SER 130 - QD2 LEU 96 far 0 100 0 - 6.2-10.9 HA SER 130 - QD2 LEU 96 far 0 100 0 - 6.6-10.3 HA LEU 43 - QD2 LEU 96 far 0 100 0 - 8.2-12.1 HA VAL 133 - QD2 LEU 96 far 0 100 0 - 8.7-12.3 Violated in 9 structures by 0.44 A. Peak 11810 from aliabs.peaks (3.87, 0.75, 26.12 ppm; 3.82 A): 1 out of 7 assignments used, quality = 0.79: HA LEU 70 + QD2 LEU 96 OK 79 98 100 81 2.2-4.2 11095/3.2=26...(16) HB2 SER 94 - QD2 LEU 96 poor 14 65 35 61 4.9-7.0 3.6/7283=20...(11) HA ALA 46 - QD2 LEU 96 far 0 83 0 - 5.4-10.8 HA LEU 123 - QD2 LEU 96 far 0 81 0 - 5.9-8.4 HA3 GLY 75 - QD2 LEU 96 far 0 81 0 - 8.0-9.1 HB3 SER 50 - QD2 LEU 96 far 0 99 0 - 8.5-13.2 HA LYS 86 - QD2 LEU 96 far 0 92 0 - 8.7-10.6 Violated in 4 structures by 0.06 A. Peak 11811 from aliabs.peaks (4.34, 0.75, 26.12 ppm; 4.71 A): 2 out of 5 assignments used, quality = 0.76: HA CYS 125 + QD2 LEU 96 OK 61 87 70 100 3.8-7.0 3.0/9989=65, ~9987=50...(36) HA LEU 69 + QD2 LEU 96 OK 38 97 40 99 5.4-8.3 3.0/11805=85...(11) HA2 GLY 75 - QD2 LEU 96 far 0 95 0 - 8.0-9.3 HA ASP 47 - QD2 LEU 96 far 0 100 0 - 8.4-13.8 HA ASP 131 - QD2 LEU 96 far 0 57 0 - 9.3-12.9 Violated in 19 structures by 0.86 A. Peak 11812 from aliabs.peaks (4.34, 0.77, 23.66 ppm; 5.01 A): 2 out of 6 assignments used, quality = 0.86: HA LEU 69 + QD1 LEU 96 OK 73 99 75 98 5.3-6.9 ~11805=61, 3.7/11067=45...(15) HA CYS 125 + QD1 LEU 96 OK 47 93 50 100 4.6-7.0 3.0/9987=85...(34) HA2 GLY 75 - QD1 LEU 96 far 0 89 0 - 7.3-10.0 HA LYS 24 - QD1 LEU 96 far 0 95 0 - 9.0-22.3 HA ASP 47 - QD1 LEU 96 far 0 100 0 - 9.0-13.0 HA ASN 59 - QD1 LEU 96 far 0 99 0 - 9.8-13.2 Violated in 14 structures by 0.47 A. Peak 11813 from aliabs.peaks (4.33, 4.00, 62.52 ppm; 3.81 A): 3 out of 12 assignments used, quality = 0.85: HA ASP 47 + HA SER 50 OK 64 100 75 85 5.0-5.7 1602/3.0=41, 1468/2.9=32...(10) HA CYS 125 + HB2 SER 124 OK 43 64 75 89 3.8-5.6 2.9/7780=51, ~3979=34...(11) HA CYS 125 + HB3 SER 124 OK 26 44 70 85 4.5-5.4 ~7780=34, 2.9/3979=32...(10) HA ASP 47 - HB3 SER 51 poor 15 71 35 58 4.6-6.4 6629/3.8=30, 5.0/1493=19...(5) HA LYS 24 - HA VAL 20 far 0 92 0 - 5.3-10.7 HA LYS 24 - HB3 SER 51 far 0 69 0 - 5.7-32.0 HA PRO 117 - HB3 SER 124 far 0 31 0 - 8.1-10.2 HA CYS 125 - HA SER 50 far 0 83 0 - 8.7-11.1 HA PRO 117 - HB2 SER 124 far 0 47 0 - 9.0-11.7 HA ASP 47 - HA VAL 20 far 0 95 0 - 9.4-34.0 HA ASP 131 - HA SER 50 far 0 63 0 - 9.6-12.9 HA LYS 24 - HA SER 50 far 0 99 0 - 9.6-28.9 Violated in 5 structures by 0.10 A. Peak 11814 from aliabs.peaks (8.29, 3.76, 63.23 ppm; 4.39 A): 3 out of 5 assignments used, quality = 1.00: H SER 99 + HB2 SER 99 OK 100 100 100 100 2.1-3.4 3.7=100 H LEU 123 + HB2 SER 99 OK 28 83 40 83 4.8-7.1 3.6/3208=27, 3215/1.8=26...(13) H LEU 96 + HB2 SER 99 OK 25 96 30 87 4.6-7.1 2.9/3208=30, 3.7/3213=21...(18) H ALA 110 - HB2 SER 99 far 0 63 0 - 6.0-19.4 H VAL 126 - HB2 SER 99 far 0 99 0 - 6.4-8.8 Violated in 0 structures by 0.00 A. Peak 11815 from aliabs.peaks (8.48, 3.76, 63.23 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: H LEU 100 + HB2 SER 99 OK 100 100 100 100 2.4-4.1 4.5=100 H GLU 97 + HB2 SER 99 OK 84 93 95 95 4.6-7.0 7385/3.7=37, 3.6/3208=34...(19) H LEU 70 - HB2 SER 99 far 0 87 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 11816 from aliabs.peaks (1.96, 3.82, 62.30 ppm; 5.46 A): 1 out of 3 assignments used, quality = 0.80: HG LEU 53 + HB2 SER 50 OK 80 81 100 100 4.6-6.8 ~1644=38, ~1653=36...(25) HB ILE 37 - HB2 SER 130 far 0 91 0 - 8.7-13.5 HG LEU 53 - HB2 SER 130 far 0 76 0 - 8.9-13.0 Violated in 12 structures by 0.35 A. Peak 11817 from aliabs.peaks (0.94, 3.82, 62.30 ppm; 4.27 A): 6 out of 15 assignments used, quality = 0.99: QD1 LEU 123 + HB2 SER 50 OK 83 90 95 97 2.3-5.9 11874/3.0=47...(30) QG2 VAL 126 + HB2 SER 130 OK 63 76 95 88 4.0-6.2 11745/3.0=44...(12) QD1 LEU 49 + HB2 SER 50 OK 59 60 100 99 2.2-3.7 2.1/11699=26...(38) QG1 VAL 126 + HB2 SER 130 OK 46 87 60 88 3.8-6.4 ~11745=31...(15) QG1 VAL 126 + HB2 SER 50 OK 44 92 55 88 4.1-7.9 11601/3.9=46...(20) QG2 VAL 126 + HB2 SER 50 OK 27 81 50 68 4.1-7.8 10397/3.0=17...(13) QD2 LEU 53 - HB2 SER 50 poor 14 71 20 - 3.2-7.5 QD1 LEU 49 - HB2 SER 130 poor 10 56 75 24 4.0-6.6 2.1/11699=6...(8) QD2 LEU 53 - HB2 SER 130 far 0 66 0 - 6.9-11.8 QD1 LEU 123 - HB2 SER 130 far 0 86 0 - 6.9-10.0 QG2 ILE 37 - HB2 SER 130 far 0 96 0 - 7.1-11.4 QD1 LEU 62 - HB2 SER 50 far 0 63 0 - 8.1-11.5 QD1 LEU 119 - HB2 SER 50 far 0 100 0 - 9.1-13.6 QG2 ILE 37 - HB2 SER 50 far 0 99 0 - 9.4-16.1 QG1 VAL 57 - HB2 SER 50 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 11818 from aliabs.peaks (8.28, 0.97, 25.20 ppm; 5.20 A): 2 out of 8 assignments used, quality = 0.89: H LEU 123 + QD2 LEU 53 OK 83 95 90 97 3.7-7.3 2.9/9254=88...(14) H LEU 49 + QD2 LEU 53 OK 38 83 50 92 4.9-8.8 3.2/11785=30...(16) H VAL 126 - QD2 LEU 53 far 15 100 15 - 5.7-9.0 H LEU 69 - QD2 LEU 53 far 0 87 0 - 6.9-13.8 H ASP 131 - QD2 LEU 53 far 0 99 0 - 7.5-12.8 H SER 99 - QD2 LEU 53 far 0 97 0 - 7.6-14.1 H GLU 30 - QD2 LEU 53 far 0 95 0 - 7.8-20.8 H LEU 96 - QD2 LEU 53 far 0 100 0 - 9.1-13.0 Violated in 9 structures by 0.26 A. Peak 11820 from aliabs.peaks (8.47, 0.80, 26.84 ppm; 5.41 A): 2 out of 6 assignments used, quality = 0.99: H LEU 70 + QD2 LEU 49 OK 94 97 100 97 4.0-6.5 3.6/11056=36...(21) H ASP 47 + QD2 LEU 49 OK 87 89 100 98 4.4-5.2 3.6/10951=62...(21) H VAL 132 - HG13 ILE 80 far 9 61 15 - 6.6-11.3 H LEU 100 - QD2 LEU 49 far 0 95 0 - 7.4-10.3 H GLU 97 - QD2 LEU 49 far 0 78 0 - 7.6-10.5 H VAL 132 - QD2 LEU 49 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 11822 from aliabs.peaks (0.90, 0.73, 25.24 ppm; 2.66 A): 3 out of 13 assignments used, quality = 0.99: QG2 VAL 63 + QD2 LEU 103 OK 94 99 100 94 1.8-2.8 2034/11832=23...(40) QG1 VAL 118 + QD2 LEU 103 OK 77 97 85 93 1.7-6.0 2.1/11826=25, ~10069=20...(28) QD1 LEU 62 + QD2 LEU 103 OK 55 97 80 71 1.7-4.8 3.2/11823=22...(22) QD2 LEU 123 - QD2 LEU 103 far 0 81 0 - 4.4-9.4 QG2 VAL 112 - QD2 LEU 103 far 0 83 0 - 4.7-11.5 QD1 LEU 123 - QD2 LEU 103 far 0 78 0 - 6.4-10.1 QD2 LEU 98 - QD2 LEU 103 far 0 81 0 - 6.5-9.3 QD1 LEU 49 - QD2 LEU 103 far 0 98 0 - 6.5-10.1 QD1 LEU 48 - QD2 LEU 103 far 0 99 0 - 7.6-15.8 QD2 LEU 48 - QD2 LEU 103 far 0 99 0 - 7.6-14.6 QG2 VAL 20 - QD2 LEU 103 far 0 97 0 - 8.0-24.6 QG1 VAL 20 - QD2 LEU 103 far 0 100 0 - 8.4-26.7 QD1 LEU 22 - QD2 LEU 103 far 0 90 0 - 9.3-25.0 Violated in 2 structures by 0.01 A. Peak 11823 from aliabs.peaks (1.15, 0.73, 25.24 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.71: HB3 LEU 62 + QD2 LEU 103 OK 71 100 80 88 2.5-6.0 9360/10350=26...(21) QG2 THR 115 - QD2 LEU 103 poor 15 87 25 70 3.8-8.4 10195/2.1=56, ~10193=10...(8) QG2 THR 18 - QD2 LEU 103 far 0 85 0 - 9.7-28.8 Violated in 13 structures by 0.87 A. Peak 11824 from aliabs.peaks (1.27, 0.73, 25.24 ppm; 4.09 A): 0 out of 1 assignment used, quality = 0.00: QG2 THR 54 - QD2 LEU 103 far 0 65 0 - 8.0-13.2 Violated in 20 structures by 6.67 A. Peak 11825 from aliabs.peaks (1.41, 0.73, 25.24 ppm; 3.82 A): 0 out of 12 assignments used, quality = 0.00: QB ALA 108 - QD2 LEU 103 poor 13 63 20 - 2.0-8.2 QB ALA 109 - QD2 LEU 103 poor 12 83 25 59 4.3-8.6 9353/11829=18...(9) QB ALA 110 - QD2 LEU 103 far 7 71 10 - 3.6-10.0 QB ALA 28 - QD2 LEU 103 far 0 76 0 - 7.0-14.8 QB ALA 29 - QD2 LEU 103 far 0 60 0 - 7.2-12.1 HB2 LEU 96 - QD2 LEU 103 far 0 65 0 - 7.5-12.0 HG LEU 96 - QD2 LEU 103 far 0 97 0 - 7.5-11.6 HG2 LYS 26 - QD2 LEU 103 far 0 76 0 - 7.8-20.3 QB ALA 15 - QD2 LEU 103 far 0 68 0 - 8.2-29.9 HG3 LYS 26 - QD2 LEU 103 far 0 68 0 - 8.7-20.1 QB ALA 16 - QD2 LEU 103 far 0 90 0 - 9.6-28.1 QB ALA 92 - QD2 LEU 103 far 0 78 0 - 9.9-13.2 Violated in 18 structures by 1.07 A. Peak 11826 from aliabs.peaks (2.06, 0.73, 25.24 ppm; 3.52 A): 2 out of 9 assignments used, quality = 0.96: HB VAL 118 + QD2 LEU 103 OK 93 99 95 98 1.7-8.0 10069/2.1=64...(33) HB2 LEU 62 + QD2 LEU 103 OK 47 100 50 93 3.9-7.3 1.8/11823=57...(23) HG3 PRO 113 - QD2 LEU 103 far 5 100 5 - 4.2-12.4 HG2 PRO 117 - QD2 LEU 103 far 0 99 0 - 5.3-11.5 HG3 PRO 117 - QD2 LEU 103 far 0 99 0 - 5.5-12.7 HB2 GLU 102 - QD2 LEU 103 far 0 76 0 - 5.8-7.8 HB3 GLN 27 - QD2 LEU 103 far 0 100 0 - 6.1-20.2 HG3 PRO 58 - QD2 LEU 103 far 0 100 0 - 7.8-10.1 HB3 GLU 55 - QD2 LEU 103 far 0 89 0 - 9.2-14.4 Violated in 3 structures by 0.06 A. Peak 11827 from aliabs.peaks (2.21, 0.73, 25.24 ppm; 4.33 A): 2 out of 8 assignments used, quality = 0.94: HB3 GLN 104 + QD2 LEU 103 OK 76 90 85 99 3.9-6.3 3.0/11828=58...(27) HB2 GLN 104 + QD2 LEU 103 OK 76 85 90 99 3.4-6.0 3.0/11828=58...(31) HB3 GLU 102 - QD2 LEU 103 far 0 81 0 - 6.1-7.4 HB2 GLN 101 - QD2 LEU 103 far 0 100 0 - 7.4-8.5 HB3 GLU 97 - QD2 LEU 103 far 0 96 0 - 7.8-10.5 HB2 GLN 68 - QD2 LEU 103 far 0 97 0 - 8.4-11.6 HG2 GLN 68 - QD2 LEU 103 far 0 99 0 - 9.1-12.3 HB3 GLN 68 - QD2 LEU 103 far 0 65 0 - 9.8-12.9 Violated in 14 structures by 0.31 A. Peak 11828 from aliabs.peaks (2.37, 0.73, 25.24 ppm; 4.54 A): 1 out of 5 assignments used, quality = 0.47: HG2 GLN 104 + QD2 LEU 103 OK 47 96 50 99 3.2-7.1 7495/7491=59...(19) HG3 GLN 27 - QD2 LEU 103 far 7 73 10 - 5.4-20.0 HG2 GLN 27 - QD2 LEU 103 far 7 68 10 - 4.6-21.2 HB2 PRO 117 - QD2 LEU 103 far 0 96 0 - 6.6-12.2 HG2 GLN 127 - QD2 LEU 103 far 0 65 0 - 9.0-12.6 Violated in 13 structures by 1.25 A. Peak 11829 from aliabs.peaks (2.62, 0.73, 25.24 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.94: HB2 ASN 59 + QD2 LEU 103 OK 94 99 95 100 3.9-6.0 11833/2.1=76...(20) Violated in 13 structures by 0.53 A. Peak 11830 from aliabs.peaks (2.87, 0.73, 25.24 ppm; 4.93 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 59 + QD2 LEU 103 OK 99 99 100 100 2.5-4.9 1.8/11829=90...(21) HB2 ASN 116 + QD2 LEU 103 OK 65 90 90 79 2.0-8.6 ~10232=29, 3.5/11416=25...(14) Violated in 0 structures by 0.00 A. Peak 11831 from aliabs.peaks (2.92, 0.73, 25.24 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.66: HB3 ASN 116 + QD2 LEU 103 OK 66 90 95 77 1.8-9.7 ~10232=35, 3.5/11416=29...(9) Violated in 5 structures by 0.28 A. Peak 11832 from aliabs.peaks (3.36, 0.73, 25.24 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 63 + QD2 LEU 103 OK 100 100 100 100 2.6-5.4 11835/2.1=63...(45) HB2 HIS 67 - QD2 LEU 103 far 4 89 5 - 5.3-8.7 Violated in 7 structures by 0.20 A. Peak 11833 from aliabs.peaks (2.61, 0.78, 24.12 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASN 59 + QD1 LEU 103 OK 100 100 100 100 3.8-5.7 1.8/11834=81...(17) HB2 ASP 71 - QD1 LEU 103 far 0 100 0 - 8.8-15.8 Violated in 15 structures by 0.28 A. Peak 11834 from aliabs.peaks (2.88, 0.78, 24.12 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.99: HB3 ASN 59 + QD1 LEU 103 OK 99 99 100 100 2.5-5.2 1.8/11833=73...(21) Violated in 5 structures by 0.15 A. Peak 11835 from aliabs.peaks (3.36, 0.78, 24.12 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.70: HA VAL 63 + QD1 LEU 103 OK 70 100 70 100 2.9-7.0 11832/2.1=80...(38) HB2 HIS 67 - QD1 LEU 103 far 4 83 5 - 5.6-10.2 Violated in 18 structures by 1.27 A. Peak 11836 from aliabs.peaks (0.90, 4.01, 57.03 ppm; 3.63 A): 2 out of 9 assignments used, quality = 0.78: QG1 VAL 118 + HA LEU 103 OK 56 97 60 96 4.2-6.2 11705/3.0=35...(17) QG2 VAL 63 + HA LEU 103 OK 49 99 55 90 3.8-6.1 2036/3397=24...(22) QD1 LEU 62 - HA LEU 103 far 0 97 0 - 5.2-9.7 QG2 VAL 112 - HA LEU 103 far 0 83 0 - 6.4-14.8 QD2 LEU 98 - HA LEU 103 far 0 81 0 - 7.0-9.9 QG2 VAL 20 - HA LEU 103 far 0 97 0 - 8.2-32.5 QD2 LEU 123 - HA LEU 103 far 0 81 0 - 8.6-12.0 QG1 VAL 20 - HA LEU 103 far 0 100 0 - 8.8-35.0 QD1 LEU 22 - HA LEU 103 far 0 90 0 - 9.1-31.9 Violated in 20 structures by 0.78 A. Peak 11837 from aliabs.peaks (4.30, 0.78, 24.12 ppm; 4.12 A): 1 out of 8 assignments used, quality = 0.50: HA ASN 59 + QD1 LEU 103 OK 50 63 80 100 3.7-6.4 3.0/11834=58...(19) HA ALA 109 - QD1 LEU 103 poor 12 60 20 - 4.3-8.1 HA ALA 108 - QD1 LEU 103 far 9 60 15 - 2.0-9.1 HA ALA 110 - QD1 LEU 103 far 8 78 10 - 3.7-10.9 HA ALA 15 - QD1 LEU 103 far 0 65 0 - 6.7-38.6 HA GLN 61 - QD1 LEU 103 far 0 65 0 - 8.2-10.9 HA ALA 21 - QD1 LEU 103 far 0 97 0 - 9.2-32.2 HA ARG 23 - QD1 LEU 103 far 0 63 0 - 9.3-27.2 Violated in 16 structures by 0.83 A. Peak 11838 from aliabs.peaks (0.49, 0.73, 25.24 ppm; 4.27 A): 0 out of 0 assignments used, quality = 0.00: Peak 11839 from aliabs.peaks (0.34, 0.73, 25.24 ppm; 4.41 A): 0 out of 0 assignments used, quality = 0.00: Peak 11840 from aliabs.peaks (0.24, 0.73, 25.24 ppm; 4.43 A): 0 out of 0 assignments used, quality = 0.00: Peak 11841 from aliabs.peaks (3.82, 0.73, 25.24 ppm; 4.19 A): 2 out of 4 assignments used, quality = 0.82: HA VAL 118 + QD2 LEU 103 OK 72 90 80 99 4.1-8.8 3.0/11826=48, ~10069=42...(35) HA LEU 62 + QD2 LEU 103 OK 36 93 40 96 4.6-8.1 3.0/11823=58...(14) HA LEU 123 - QD2 LEU 103 far 0 57 0 - 6.1-10.1 HD3 PRO 58 - QD2 LEU 103 far 0 100 0 - 9.0-10.4 Violated in 17 structures by 0.39 A. Peak 11842 from aliabs.peaks (3.64, 0.73, 25.24 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.34: HA3 GLY 66 + QD2 LEU 103 OK 34 100 80 43 3.9-7.9 11018/11832=24...(7) HA2 GLY 66 - QD2 LEU 103 poor 9 97 30 32 5.2-9.2 10975/11832=24...(5) HD2 PRO 58 - QD2 LEU 103 far 0 83 0 - 8.2-10.0 Violated in 14 structures by 0.87 A. Peak 11843 from aliabs.peaks (4.80, 1.14, 23.00 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.97: HA ASN 85 + QG2 VAL 132 OK 93 93 100 99 3.0-5.1 ~10545=37, 2750/9861=33...(25) HA ASN 85 + QG1 VAL 132 OK 62 62 100 99 1.8-5.5 2.9/10545=44...(25) Violated in 0 structures by 0.00 A. Peak 11844 from aliabs.peaks (4.01, 0.79, 26.16 ppm; 3.29 A): 5 out of 20 assignments used, quality = 0.98: HA SER 50 + QD1 LEU 53 OK 75 87 100 87 1.9-4.6 11725/2.1=23, 9218=20...(17) HB3 SER 99 + QD2 LEU 122 OK 62 69 95 96 3.1-5.1 11476=34, 1.8/11379=29...(26) HA LEU 122 + QD2 LEU 122 OK 48 53 100 92 2.1-4.1 3.9=58, 2.9/7733=18...(25) HA LEU 119 + QD2 LEU 122 OK 43 77 65 85 1.9-6.0 3764/3.1=34, 3759=20...(21) HA LEU 119 + QD1 LEU 53 OK 42 97 55 80 1.8-8.1 11845/2.1=29, 3759=15...(24) HB2 SER 124 - QD1 LEU 53 poor 18 71 25 - 2.5-9.1 HB3 SER 124 - QD1 LEU 53 poor 13 100 40 33 2.4-8.4 10373=10, 3975/11585=8...(8) HA LEU 122 - QD1 LEU 53 far 0 71 0 - 5.0-8.5 HA SER 50 - QD2 LEU 122 far 0 67 0 - 5.4-9.6 HB3 SER 99 - QD1 LEU 53 far 0 89 0 - 5.5-11.2 HB3 SER 124 - QD2 LEU 122 far 0 84 0 - 5.7-7.5 HB2 SER 124 - QD2 LEU 122 far 0 53 0 - 5.9-8.2 HA LYS 95 - QD2 LEU 122 far 0 79 0 - 5.9-8.8 HA LEU 103 - QD2 LEU 122 far 0 84 0 - 5.9-8.7 HA SER 60 - QD2 LEU 122 far 0 83 0 - 7.4-11.9 HA GLN 68 - QD2 LEU 122 far 0 76 0 - 7.7-10.1 HA GLN 68 - QD1 LEU 53 far 0 96 0 - 7.9-15.1 HA LEU 103 - QD1 LEU 53 far 0 100 0 - 7.9-15.8 HA SER 60 - QD1 LEU 53 far 0 100 0 - 8.9-14.8 HA LYS 95 - QD1 LEU 53 far 0 97 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 11845 from aliabs.peaks (4.02, 0.97, 25.20 ppm; 3.55 A): 2 out of 10 assignments used, quality = 0.65: HA LEU 119 + QD2 LEU 53 OK 46 100 60 76 2.0-8.5 3790/1683=15...(23) HA SER 50 + QD2 LEU 53 OK 35 63 70 79 1.9-5.6 ~11816=19, 11844/2.1=18...(14) HB3 SER 124 - QD2 LEU 53 poor 6 96 30 21 3.0-10.2 10373/2.1=12...(6) HB3 SER 99 - QD2 LEU 53 far 0 65 0 - 5.2-11.6 HA LEU 122 - QD2 LEU 53 far 0 92 0 - 5.8-9.7 HA LEU 96 - QD2 LEU 53 far 0 60 0 - 6.7-11.5 HA LEU 103 - QD2 LEU 53 far 0 97 0 - 7.1-15.7 HA SER 60 - QD2 LEU 53 far 0 92 0 - 7.7-14.4 HA GLN 68 - QD2 LEU 53 far 0 78 0 - 8.9-16.6 HA GLU 102 - QD2 LEU 53 far 0 73 0 - 9.9-17.7 Violated in 12 structures by 0.48 A. Peak 11846 from aliabs.peaks (0.90, 4.18, 56.53 ppm; 4.09 A): 4 out of 11 assignments used, quality = 0.92: QD2 LEU 123 + HA LEU 53 OK 53 83 95 67 3.2-6.2 9275/9263=28...(12) QD1 LEU 62 + HA LEU 53 OK 46 97 50 96 2.8-7.6 2.1/10038=77...(8) QD1 LEU 49 + HA LEU 53 OK 42 97 50 87 4.1-6.5 11726/3.0=22...(18) QD1 LEU 123 + HA LEU 53 OK 42 76 75 74 1.8-7.3 9275/9263=36...(12) QG1 VAL 118 - HA LEU 53 far 5 98 5 - 5.0-12.4 QD2 LEU 48 - HA LEU 53 far 0 99 0 - 6.2-10.2 QG1 VAL 20 - HA LEU 53 far 0 99 0 - 6.8-30.2 QG2 VAL 20 - HA LEU 53 far 0 98 0 - 7.0-28.0 QD1 LEU 48 - HA LEU 53 far 0 99 0 - 7.0-10.1 QG2 VAL 63 - HA LEU 53 far 0 99 0 - 7.5-10.7 QG2 VAL 112 - HA LEU 53 far 0 81 0 - 9.2-15.1 Violated in 2 structures by 0.02 A. Peak 11848 from aliabs.peaks (1.22, 0.91, 24.15 ppm; 3.34 A): 2 out of 6 assignments used, quality = 0.87: QG2 THR 65 + QD1 LEU 48 OK 73 100 75 98 1.8-6.7 9441/2.1=47...(26) QG2 THR 65 + QD2 LEU 48 OK 52 66 80 98 2.0-5.4 9441/2.1=47...(26) QG2 THR 54 - QD1 LEU 123 poor 18 41 45 - 2.4-6.4 QG2 THR 65 - QD1 LEU 123 poor 18 52 35 - 3.5-7.6 QG2 THR 54 - QD2 LEU 48 far 0 52 0 - 6.5-11.9 QG2 THR 54 - QD1 LEU 48 far 0 89 0 - 7.4-11.2 Violated in 5 structures by 0.40 A. Peak 11849 from aliabs.peaks (1.89, 0.99, 26.04 ppm; 4.45 A): 0 out of 0 assignments used, quality = 0.00: Peak 11850 from aliabs.peaks (7.84, 1.78, 41.87 ppm; 4.86 A): 2 out of 8 assignments used, quality = 0.95: H GLU 102 + HB3 LEU 98 OK 84 96 90 98 5.5-6.6 10067/3.1=39, ~3155=37...(18) H GLU 102 + HB3 LEU 103 OK 68 68 100 100 4.0-4.7 10066/1.8=79...(29) H GLU 102 - HB3 LEU 122 far 13 89 15 - 6.2-8.8 H GLN 68 - HB3 LEU 122 far 0 80 0 - 6.4-12.0 H GLN 68 - HB2 LEU 48 far 0 71 0 - 7.9-13.5 H ALA 92 - HB3 LEU 98 far 0 68 0 - 9.4-11.8 H GLN 68 - HB3 LEU 103 far 0 59 0 - 9.4-11.3 H ALA 92 - HB3 LEU 122 far 0 61 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 11851 from aliabs.peaks (8.49, 1.78, 41.87 ppm; 4.81 A): 5 out of 10 assignments used, quality = 1.00: H GLU 97 + HB3 LEU 98 OK 99 100 100 99 4.1-5.8 3.9/7364=73...(18) H LEU 100 + HB3 LEU 98 OK 94 99 95 100 4.6-6.4 ~3166=48, ~3166=47...(37) H LEU 100 + HB3 LEU 122 OK 93 94 100 99 2.3-5.5 10026/3.1=28...(37) H LEU 100 + HB3 LEU 103 OK 73 74 100 99 4.2-5.4 10047/3.9=34, ~3370=34...(28) H GLU 97 + HB3 LEU 122 OK 70 96 85 86 4.6-7.1 9998=28, 3.6/3858=18...(19) H LEU 70 - HB3 LEU 122 far 8 54 15 - 4.6-9.7 H GLU 97 - HB3 LEU 103 far 0 75 0 - 8.3-10.1 H LEU 70 - HB2 LEU 48 far 0 47 0 - 8.5-13.8 H LEU 70 - HB3 LEU 103 far 0 38 0 - 9.3-11.5 H HIS 4 - HB2 LEU 48 far 0 70 0 - 9.4-62.5 Violated in 0 structures by 0.00 A. Peak 11852 from aliabs.peaks (7.83, 1.71, 26.70 ppm; 5.10 A): 0 out of 3 assignments used, quality = 0.00: H GLU 102 - HG LEU 98 far 4 76 5 - 6.5-7.7 H GLN 68 - HG LEU 48 far 0 56 0 - 8.0-13.5 H ALA 92 - HG LEU 98 far 0 92 0 - 9.1-11.9 Violated in 20 structures by 1.75 A. Peak 11853 from aliabs.peaks (0.68, 2.33, 30.42 ppm; 5.71 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 43 + HB3 GLN 134 OK 99 99 100 100 1.8-3.6 2.1/11074=95...(28) Violated in 0 structures by 0.00 A. Peak 11854 from aliabs.peaks (1.06, 2.33, 30.42 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 133 + HB3 GLN 134 OK 85 85 100 100 3.1-4.8 2.1/11765=81...(23) Violated in 0 structures by 0.00 A. Peak 11855 from aliabs.peaks (0.68, 2.02, 30.42 ppm; 6.14 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 43 + HB2 GLN 134 OK 99 99 100 100 2.4-4.9 9121/2.9=96...(28) Violated in 0 structures by 0.00 A. Peak 11856 from aliabs.peaks (0.78, 2.02, 30.42 ppm; 5.61 A): 0 out of 0 assignments used, quality = 0.00: Peak 11857 from aliabs.peaks (0.83, 2.33, 30.42 ppm; 6.46 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 133 + HB3 GLN 134 OK 99 99 100 100 3.6-5.6 2.1/11854=95...(25) QG2 ILE 129 + HB3 GLN 134 OK 39 99 60 65 6.8-8.9 10597/2.9=28...(7) QG2 ILE 80 - HB3 GLN 134 far 9 90 10 - 7.8-11.4 HG13 ILE 80 - HB3 GLN 134 far 0 85 0 - 8.6-13.6 Violated in 0 structures by 0.00 A. Peak 11858 from aliabs.peaks (3.44, 1.48, 25.19 ppm; 6.28 A): 1 out of 3 assignments used, quality = 0.98: HA VAL 77 + HG3 LYS 86 OK 98 98 100 100 2.8-7.2 3.2/9650=96...(32) HA LEU 42 - HG3 LYS 36 poor 11 25 45 - 4.7-11.6 HA ILE 129 - HG3 LYS 86 far 0 95 0 - 8.5-10.5 Violated in 3 structures by 0.07 A. Peak 11859 from aliabs.peaks (1.07, 1.41, 25.19 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.95: QG1 VAL 77 + HG2 LYS 86 OK 95 95 100 100 3.1-6.0 2.1/11742=99, 9650=91...(36) QG2 VAL 133 - HG2 LYS 86 far 0 68 0 - 7.2-10.2 Violated in 2 structures by 0.07 A. Peak 11860 from aliabs.peaks (1.06, 1.48, 25.19 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.95: QG1 VAL 77 + HG3 LYS 86 OK 95 100 95 100 3.5-7.4 9650/1.8=100, 9650=98...(31) QG2 VAL 133 - HG3 LYS 86 far 0 92 0 - 6.9-10.6 QG2 VAL 133 - HG3 LYS 36 far 0 42 0 - 8.4-15.5 Violated in 4 structures by 0.27 A. Peak 11861 from aliabs.peaks (1.04, 3.77, 61.77 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 133 + HA SER 130 OK 100 100 100 100 1.9-4.2 11776/11747=69...(30) QG1 VAL 77 - HA SER 130 far 0 97 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 11862 from aliabs.peaks (0.84, 3.77, 61.77 ppm; 4.35 A): 2 out of 8 assignments used, quality = 1.00: QG1 VAL 133 + HA SER 130 OK 100 100 100 100 1.8-2.3 2.1/11861=71...(32) QG2 ILE 129 + HA SER 130 OK 96 96 100 100 3.0-3.7 4143/2.9=63, ~7883=44...(37) QG2 ILE 80 - HA SER 130 far 0 81 0 - 5.9-10.1 HG13 ILE 80 - HA SER 130 far 0 73 0 - 6.8-11.5 QD2 LEU 70 - HA SER 130 far 0 81 0 - 7.6-11.8 QD1 LEU 70 - HA SER 130 far 0 73 0 - 8.0-12.1 QD1 LEU 122 - HA SER 130 far 0 57 0 - 9.1-12.1 QG2 ILE 32 - HA SER 130 far 0 100 0 - 9.3-14.5 Violated in 0 structures by 0.00 A. Peak 11863 from aliabs.peaks (0.75, 3.77, 61.77 ppm; 3.96 A): 1 out of 7 assignments used, quality = 0.97: QD2 LEU 43 + HA SER 130 OK 97 97 100 100 2.1-3.6 11720/3.0=61...(39) QD1 ILE 37 - HA SER 130 far 0 93 0 - 6.3-11.4 HG12 ILE 129 - HA SER 130 far 0 99 0 - 6.3-6.6 QD2 LEU 96 - HA SER 130 far 0 100 0 - 6.6-10.3 QD1 LEU 96 - HA SER 130 far 0 85 0 - 6.7-9.8 QG1 VAL 93 - HA SER 130 far 0 100 0 - 7.0-9.6 QD1 ILE 32 - HA SER 130 far 0 93 0 - 8.4-16.1 Violated in 0 structures by 0.00 A. Peak 11864 from aliabs.peaks (1.34, 3.77, 61.77 ppm; 5.76 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 46 + HA SER 130 OK 100 100 100 100 3.0-5.3 9176/11747=94...(19) Violated in 0 structures by 0.00 A. Peak 11865 from aliabs.peaks (8.56, 1.19, 22.02 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.99: H ARG 90 + QG2 VAL 77 OK 99 99 100 100 2.1-3.6 2.9/11192=82...(22) Violated in 0 structures by 0.00 A. Peak 11868 from aliabs.peaks (4.67, 3.80, 63.56 ppm; 5.06 A): 4 out of 8 assignments used, quality = 1.00: HA HIS 10 + HB3 SER 9 OK 89 93 100 96 3.8-5.8 ~6054=53, ~100=51...(7) HA HIS 8 + HB3 SER 9 OK 76 93 100 82 3.9-6.0 6045/4.0=82 HA HIS 10 + HB2 SER 9 OK 70 73 100 96 4.1-6.0 ~6054=53, ~100=51...(7) HA HIS 8 + HB2 SER 9 OK 60 73 100 82 3.9-5.8 6045/4.0=82 HA HIS 7 - HB2 SER 9 poor 13 53 25 - 5.8-9.6 HA HIS 7 - HB3 SER 9 far 4 71 5 - 6.5-9.5 HA ASN 13 - HB2 SER 9 far 4 70 5 - 6.2-15.3 HA ASN 13 - HB3 SER 9 far 0 90 0 - 7.9-16.0 Violated in 0 structures by 0.00 A. Peak 11869 from aliabs.peaks (1.36, 2.82, 38.56 ppm; 5.07 A): 1 out of 9 assignments used, quality = 1.00: QB ALA 12 + HB2 ASN 13 OK 100 100 100 100 4.5-6.0 6085/6087=87...(7) QB ALA 15 - HB2 ASN 13 poor 14 71 20 - 4.6-8.7 QB ALA 21 - HB2 ASN 13 far 5 97 5 - 4.6-16.9 HG2 LYS 24 - HB2 ASN 13 far 4 83 5 - 5.9-26.8 QB ALA 28 - HB2 ASN 13 far 3 63 5 - 6.3-25.4 HG2 LYS 19 - HB2 ASN 13 lone 2 93 30 7 3.8-19.5 11870/1.8=2, 10654/3.0=2 QB ALA 29 - HB2 ASN 13 far 0 78 0 - 7.5-27.0 HG3 LYS 31 - HB2 ASN 13 far 0 60 0 - 8.6-28.6 HG2 LYS 36 - HB2 ASN 13 far 0 73 0 - 9.0-35.5 Violated in 18 structures by 0.36 A. Peak 11870 from aliabs.peaks (1.35, 2.77, 38.56 ppm; 5.47 A): 1 out of 7 assignments used, quality = 0.99: QB ALA 12 + HB3 ASN 13 OK 99 99 100 100 3.1-5.8 6085/6088=95...(7) QB ALA 15 - HB3 ASN 13 poor 19 63 30 - 3.7-8.8 HG2 LYS 24 - HB3 ASN 13 far 11 76 15 - 5.3-27.1 QB ALA 21 - HB3 ASN 13 far 5 99 5 - 5.2-17.4 HG2 LYS 19 - HB3 ASN 13 lone 3 89 35 8 4.2-19.9 11759/1.8=2, 10650/3.0=2 QB ALA 29 - HB3 ASN 13 far 0 71 0 - 7.8-27.1 HG3 LYS 26 - HB3 ASN 13 far 0 63 0 - 9.8-31.7 Violated in 3 structures by 0.04 A. Peak 11871 from aliabs.peaks (1.17, 4.27, 56.26 ppm; 4.37 A): 5 out of 22 assignments used, quality = 1.00: QG2 THR 18 + HA LYS 19 OK 99 100 100 99 2.8-4.4 6147/3.0=54...(17) QG2 THR 25 + HA LYS 26 OK 95 95 100 99 2.9-5.6 6248/2.9=77, ~6247=50...(18) HG12 ILE 32 + HA LYS 31 OK 70 95 75 98 4.4-6.6 6354/6342=82, ~10802=26...(24) HG12 ILE 32 + HA LYS 26 OK 32 94 45 74 3.6-13.0 2.1/10753=15...(31) QB ALA 41 + HA LYS 36 OK 30 50 70 87 1.6-7.1 10904/6403=52...(10) QG2 THR 25 - HA ARG 23 poor 16 58 50 56 3.2-6.8 10740/3.6=37...(5) QG2 THR 25 - HA LYS 31 far 14 96 15 - 3.7-12.0 HG12 ILE 32 - HA LYS 36 poor 12 48 25 - 4.5-12.8 QG2 THR 18 - HA LYS 31 far 10 100 10 - 3.6-23.3 QG2 THR 25 - HA LYS 19 far 10 97 10 - 4.6-15.1 QG2 THR 25 - HA LYS 36 far 7 49 15 - 4.7-22.7 QG2 THR 18 - HA ARG 23 far 6 63 10 - 5.6-11.8 QB ALA 41 - HA ARG 23 far 3 59 5 - 5.2-22.6 QG2 THR 18 - HA LYS 36 far 3 54 5 - 5.2-32.6 HG12 ILE 32 - HA ARG 23 far 0 57 0 - 6.1-17.1 QB ALA 41 - HA LYS 26 far 0 96 0 - 6.3-20.6 QG2 THR 18 - HA LYS 26 far 0 100 0 - 7.1-17.1 QB ALA 41 - HA LYS 31 far 0 97 0 - 7.5-15.3 QB ALA 41 - HA LYS 19 far 0 97 0 - 8.8-28.2 HG3 LYS 39 - HA LYS 36 far 0 53 0 - 8.9-13.5 HB3 LEU 62 - HA LYS 26 far 0 74 0 - 9.2-22.7 HG12 ILE 32 - HA LYS 19 far 0 96 0 - 9.5-24.9 Violated in 0 structures by 0.00 A. Peak 11872 from aliabs.peaks (0.90, 4.27, 56.26 ppm; 4.55 A): 5 out of 40 assignments used, quality = 1.00: QG1 VAL 20 + HA LYS 19 OK 96 96 100 100 4.1-4.7 10712/3.0=78, 348/3.6=72...(22) QG2 VAL 20 + HA LYS 19 OK 84 100 85 99 5.1-6.1 354/3.6=67, ~10712=52...(17) QD1 LEU 22 + HA ARG 23 OK 44 59 75 100 4.7-7.0 ~6200=41, ~407=39...(22) QG2 VAL 20 + HA ARG 23 OK 44 63 75 94 4.4-9.7 ~11783=30, 10688=27...(18) QD1 LEU 22 + HA LYS 19 OK 41 98 70 59 1.9-9.6 409=22, 2.1/401=9...(12) QG1 VAL 20 - HA LYS 31 far 14 95 15 - 2.4-18.7 QG1 VAL 20 - HA ARG 23 poor 14 57 25 - 4.2-9.6 QG2 VAL 20 - HA LYS 31 far 10 100 10 - 4.6-18.5 QD2 LEU 48 - HA LYS 26 far 10 100 10 - 5.2-21.8 QG2 VAL 20 - HA LYS 26 far 10 99 10 - 4.4-13.5 QD2 LEU 48 - HA LYS 36 far 8 54 15 - 5.2-16.3 QG2 VAL 20 - HA LYS 36 far 8 53 15 - 5.8-24.3 QG1 VAL 20 - HA LYS 36 far 5 48 10 - 4.1-26.6 QD1 LEU 48 - HA LYS 19 far 5 95 5 - 3.8-27.3 QD1 LEU 48 - HA LYS 26 far 5 93 5 - 5.4-19.8 QG1 VAL 20 - HA LYS 26 far 0 94 0 - 6.3-14.0 QD2 LEU 48 - HA LYS 19 far 0 100 0 - 6.3-27.3 QD1 LEU 48 - HA ARG 23 far 0 55 0 - 6.5-20.5 QD1 LEU 48 - HA LYS 36 far 0 47 0 - 6.7-14.8 QG2 VAL 63 - HA LYS 26 far 0 92 0 - 6.9-18.9 QD2 LEU 48 - HA ARG 23 far 0 63 0 - 7.2-21.8 QD1 LEU 48 - HA LYS 31 far 0 94 0 - 7.2-18.9 QD1 LEU 22 - HA LYS 31 far 0 98 0 - 7.7-19.4 QD1 LEU 22 - HA LYS 36 far 0 50 0 - 7.9-29.6 QD2 LEU 98 - HA ARG 23 far 0 54 0 - 8.0-28.5 QD1 LEU 22 - HA LYS 26 far 0 97 0 - 8.0-11.2 QG1 VAL 118 - HA ARG 23 far 0 63 0 - 8.0-25.7 QG2 VAL 112 - HA LYS 19 far 0 65 0 - 8.2-40.7 QD2 LEU 48 - HA LYS 31 far 0 100 0 - 8.2-19.8 QG2 VAL 63 - HA ARG 23 far 0 54 0 - 8.5-23.6 QD1 LEU 62 - HA LYS 26 far 0 87 0 - 8.6-19.7 QD2 LEU 98 - HA LYS 26 far 0 92 0 - 8.6-23.8 QD1 LEU 49 - HA LYS 26 far 0 89 0 - 8.7-19.3 QD1 LEU 49 - HA LYS 36 far 0 43 0 - 8.8-17.1 QD2 LEU 123 - HA LYS 26 far 0 92 0 - 9.1-19.0 QG2 VAL 112 - HA LYS 26 far 0 64 0 - 9.2-30.6 QG1 VAL 118 - HA LYS 26 far 0 99 0 - 9.6-21.1 QD2 LEU 123 - HA ARG 23 far 0 54 0 - 9.7-22.0 QD1 LEU 49 - HA ARG 23 far 0 52 0 - 9.8-20.3 QG2 VAL 63 - HA LYS 31 far 0 93 0 - 10.0-17.5 Violated in 0 structures by 0.00 A. Peak 11873 from aliabs.peaks (2.95, 4.27, 56.26 ppm; 4.08 A): 9 out of 54 assignments used, quality = 1.00: HE3 LYS 19 + HA LYS 19 OK 86 100 100 86 2.0-5.4 6.4=26, 3.8/627=18...(34) HE2 LYS 19 + HA LYS 19 OK 82 100 95 86 3.2-5.7 6.4=26, 3.8/627=18...(34) HE3 LYS 31 + HA LYS 31 OK 79 100 95 83 2.5-5.6 6.5=25, 3.7/822=19...(28) HE2 LYS 31 + HA LYS 31 OK 78 99 95 83 1.9-5.7 6.5=25, 3.7/822=19...(28) HE3 LYS 26 + HA LYS 26 OK 69 96 90 80 3.4-6.0 6.6=24, 3.6/627=20...(22) HE2 LYS 26 + HA LYS 26 OK 67 98 85 80 2.7-6.4 6.6=24, 3.6/627=20...(23) HE3 LYS 36 + HA LYS 36 OK 29 51 65 89 2.9-6.5 6.0=32, 1064/3.0=23...(24) HE2 LYS 36 + HA LYS 36 OK 25 51 55 88 3.9-6.2 6.0=32, 1064/3.0=22...(24) HE2 LYS 24 + HA LYS 19 OK 22 100 30 73 1.9-16.1 4.0/822=4, 4.0/241=3...(15) HE2 LYS 26 - HA ARG 23 poor 18 61 30 - 2.7-12.5 HE3 LYS 24 - HA LYS 19 poor 17 100 25 70 2.9-16.7 4.0/822=4, 4.0/241=3...(15) HE2 LYS 26 - HA LYS 31 far 15 99 15 - 5.0-18.9 HB2 CYS 45 - HA LYS 36 poor 15 42 35 - 2.7-11.7 HE2 LYS 31 - HA LYS 26 far 15 98 15 - 5.0-12.6 HE3 LYS 31 - HA LYS 26 far 10 100 10 - 4.4-13.1 HE3 LYS 36 - HA LYS 31 far 10 98 10 - 4.8-12.9 HE2 LYS 36 - HA LYS 26 far 10 98 10 - 5.2-22.3 HE3 LYS 26 - HA LYS 31 far 10 97 10 - 5.3-18.9 HE3 LYS 26 - HA ARG 23 poor 9 59 35 42 2.0-13.5 11618/3.8=4, 3.6/627=2...(7) HE3 LYS 26 - HA LYS 36 far 7 50 15 - 3.5-29.4 HE2 LYS 26 - HA LYS 36 far 5 52 10 - 3.2-29.7 HE2 LYS 19 - HA LYS 31 far 5 100 5 - 5.1-27.7 HE3 LYS 19 - HA LYS 31 far 5 100 5 - 5.6-27.5 HE2 LYS 24 - HA LYS 26 far 5 100 5 - 5.6-11.4 HE2 LYS 36 - HA LYS 31 far 5 98 5 - 5.5-13.1 HE3 LYS 24 - HA ARG 23 far 3 62 5 - 5.5-9.3 HE2 LYS 36 - HA ARG 23 far 0 60 0 - 5.7-25.3 HE2 LYS 24 - HA LYS 31 far 0 100 0 - 6.0-19.7 HE2 LYS 31 - HA ARG 23 far 0 61 0 - 6.0-17.4 HE3 LYS 36 - HA ARG 23 far 0 60 0 - 6.1-25.9 HE2 LYS 24 - HA ARG 23 far 0 63 0 - 6.3-9.4 HE2 LYS 24 - HA LYS 36 far 0 54 0 - 6.4-29.6 HE3 LYS 24 - HA LYS 26 far 0 99 0 - 6.6-11.5 HE3 LYS 36 - HA LYS 26 far 0 98 0 - 6.7-22.7 HE3 LYS 31 - HA LYS 19 far 0 100 0 - 6.8-26.4 HB2 CYS 45 - HA LYS 31 far 0 88 0 - 6.8-18.1 HE3 LYS 31 - HA ARG 23 far 0 63 0 - 7.1-18.5 HE3 LYS 31 - HA LYS 36 far 0 54 0 - 7.1-15.1 HE3 LYS 24 - HA LYS 31 far 0 99 0 - 7.3-20.2 HE2 LYS 31 - HA LYS 36 far 0 52 0 - 7.3-13.7 HE3 LYS 24 - HA LYS 36 far 0 53 0 - 7.3-29.3 HE2 LYS 31 - HA LYS 19 far 0 99 0 - 7.4-25.6 HE2 LYS 26 - HA LYS 19 far 0 99 0 - 7.6-22.7 HE2 LYS 19 - HA ARG 23 far 0 63 0 - 7.9-15.5 HE3 LYS 19 - HA LYS 26 far 0 99 0 - 8.1-22.8 HE3 LYS 36 - HA LYS 19 far 0 99 0 - 8.2-32.4 HE3 LYS 19 - HA ARG 23 far 0 63 0 - 8.3-16.9 HE2 LYS 19 - HA LYS 26 far 0 99 0 - 8.8-21.4 HE3 LYS 26 - HA LYS 19 far 0 97 0 - 9.0-22.6 HE2 LYS 39 - HA LYS 36 far 0 34 0 - 9.1-15.9 HB2 CYS 45 - HA LYS 26 far 0 87 0 - 9.2-23.6 HE3 LYS 19 - HA LYS 36 far 0 53 0 - 9.4-39.4 HE2 LYS 19 - HA LYS 36 far 0 53 0 - 9.4-39.5 HE2 LYS 36 - HA LYS 19 far 0 99 0 - 9.8-31.9 Violated in 0 structures by 0.00 A. Peak 11874 from aliabs.peaks (3.99, 0.93, 23.87 ppm; 3.15 A): 2 out of 18 assignments used, quality = 0.84: HA SER 50 + QD1 LEU 123 OK 79 97 100 81 1.7-3.9 11636/2.1=27, 339=13...(25) HA GLN 127 + QD1 LEU 123 OK 24 87 35 80 4.1-7.9 3.8/11637=32...(17) HA THR 65 - QD1 LEU 48 poor 17 42 40 - 3.5-9.9 HB2 SER 124 - QD1 LEU 123 far 15 100 15 - 3.3-7.0 HB3 SER 51 - QD1 LEU 48 poor 13 51 25 - 4.3-6.0 HB3 SER 124 - QD1 LEU 123 poor 13 68 30 62 4.0-6.2 10372=25, 4.0/3959=18...(10) HA VAL 20 - QD1 LEU 48 far 3 51 5 - 3.6-25.7 HA SER 50 - QD1 LEU 48 far 0 48 0 - 5.7-7.9 HA3 GLY 17 - QD1 LEU 48 far 0 25 0 - 6.1-23.4 HB3 SER 51 - QD1 LEU 123 far 0 100 0 - 6.1-8.3 HA GLN 127 - QD1 LEU 48 far 0 40 0 - 6.4-10.2 HA THR 65 - QD1 LEU 123 far 0 90 0 - 6.9-11.3 HA GLN 68 - QD1 LEU 48 far 0 42 0 - 6.9-12.6 HB3 SER 99 - QD1 LEU 123 far 0 97 0 - 7.8-10.6 HA LEU 100 - QD1 LEU 123 far 0 78 0 - 8.1-10.0 HA SER 60 - QD1 LEU 48 far 0 33 0 - 9.3-16.5 HA LEU 100 - QD1 LEU 48 far 0 34 0 - 9.4-17.3 HA SER 60 - QD1 LEU 123 far 0 76 0 - 9.7-15.8 Violated in 10 structures by 0.16 A. Peak 11875 from aliabs.peaks (1.19, 3.06, 41.48 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.84: QG2 VAL 77 + HE2 LYS 86 OK 80 100 80 100 2.3-6.6 11196=100, 9660/1.8=71...(21) HG12 ILE 80 + HE2 LYS 86 OK 21 73 30 96 3.8-7.6 2.1/11220=48...(27) Violated in 17 structures by 0.64 A. Peak 11876 from aliabs.peaks (1.06, 3.06, 41.48 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.40: QG1 VAL 77 + HE2 LYS 86 OK 40 100 40 100 2.5-7.7 11201=98, 2.1/11196=81...(19) QG2 VAL 133 - HE2 LYS 86 far 0 92 0 - 8.2-12.1 Violated in 16 structures by 1.34 A. Peak 11877 from aliabs.peaks (0.82, 3.06, 41.48 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.93: QG2 ILE 80 + HE2 LYS 86 OK 90 100 90 100 3.0-7.3 11243=95, 3.1/11878=54...(36) HG13 ILE 80 + HE2 LYS 86 OK 35 99 35 100 2.8-7.7 2.1/11220=64...(38) QG2 ILE 129 - HE2 LYS 86 far 0 100 0 - 7.2-10.8 QG1 VAL 133 - HE2 LYS 86 far 0 83 0 - 8.6-10.8 Violated in 3 structures by 0.06 A. Peak 11878 from aliabs.peaks (0.26, 3.06, 41.48 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 80 + HE2 LYS 86 OK 100 100 100 100 3.3-5.8 11220=100, 11221/1.8=82...(39) QG2 VAL 93 - HE2 LYS 86 far 4 73 5 - 5.9-10.2 Violated in 12 structures by 0.15 A. Peak 11879 from aliabs.peaks (1.75, 3.89, 60.61 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.98: HB ILE 80 + HA LYS 86 OK 90 90 100 100 2.7-4.2 3.2/9727=80, 9729=78...(35) HG3 ARG 90 + HA LYS 86 OK 79 93 85 99 3.6-7.6 11303/11193=57...(28) HG13 ILE 129 - HA LYS 86 far 0 99 0 - 6.3-8.7 Violated in 0 structures by 0.00 A. Peak 11880 from aliabs.peaks (8.28, 3.96, 57.71 ppm; 5.51 A): 2 out of 5 assignments used, quality = 0.96: H SER 99 + HA LEU 100 OK 94 96 100 98 5.1-5.4 7407/3.6=70, ~7398=51...(15) H LEU 123 + HA LEU 100 OK 41 96 60 72 6.3-7.3 11483/3258=27...(10) H LEU 96 - HA LEU 100 far 0 100 0 - 7.9-9.4 H VAL 126 - HA LEU 100 far 0 100 0 - 8.3-9.6 H LEU 69 - HA LEU 100 far 0 85 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 11881 from aliabs.peaks (1.58, 0.68, 23.19 ppm; 3.82 A): 8 out of 15 assignments used, quality = 0.99: HB2 LEU 103 + QD2 LEU 100 OK 65 79 85 96 3.2-6.8 3370/3225=27...(28) HG LEU 123 + QD2 LEU 62 OK 58 85 70 98 1.8-6.6 2.1/10347=65...(31) HG LEU 122 + QD2 LEU 100 OK 57 64 90 99 2.0-5.8 ~11388=20, ~11492=20...(45) HB2 LEU 122 + QD2 LEU 100 OK 50 56 90 98 3.2-6.0 1.8/3261=20, ~11388=14...(48) HG LEU 103 + QD2 LEU 100 OK 38 50 85 90 2.8-7.2 3229/3225=17...(27) HG LEU 122 + QD2 LEU 62 OK 37 85 90 48 1.9-5.5 ~10992=7, ~9395=7...(20) HG LEU 70 + QD2 LEU 100 OK 34 50 70 98 1.8-6.4 ~11115=45, ~9487=38...(27) HB2 LEU 122 + QD2 LEU 62 OK 23 76 55 55 4.3-7.0 4.3/11008=14, ~2012=7...(18) HG LEU 103 - QD2 LEU 62 poor 16 68 30 79 4.0-8.3 ~11823=26, ~11721=20...(17) HG LEU 49 - QD2 LEU 62 far 14 95 15 - 4.2-7.0 HB2 LEU 103 - QD2 LEU 62 far 10 99 10 - 4.7-8.9 HG LEU 123 - QD2 LEU 100 far 3 64 5 - 5.2-10.8 HG LEU 70 - QD2 LEU 62 far 0 68 0 - 6.0-9.8 HG LEU 49 - QD2 LEU 100 far 0 74 0 - 6.8-11.5 HG2 ARG 23 - QD2 LEU 62 far 0 78 0 - 9.6-23.9 Violated in 0 structures by 0.00 A. Peak 11882 from aliabs.peaks (1.58, 0.60, 25.59 ppm; 4.60 A): 5 out of 8 assignments used, quality = 1.00: HB2 LEU 103 + QD1 LEU 100 OK 89 100 90 99 4.0-7.1 3370/3266=36...(26) HG LEU 122 + QD1 LEU 100 OK 78 78 100 100 1.9-6.0 2.1/11388=38...(45) HG LEU 103 + QD1 LEU 100 OK 66 76 90 96 3.3-6.7 3.0/3267=26...(25) HB2 LEU 122 + QD1 LEU 100 OK 65 68 95 100 2.0-6.6 3.1/11388=35...(53) HG LEU 70 + QD1 LEU 100 OK 60 60 100 100 2.2-5.4 2.1/11115=94...(25) HG LEU 123 - QD1 LEU 100 far 0 90 0 - 6.2-10.3 HG LEU 49 - QD1 LEU 100 far 0 97 0 - 7.7-11.0 HG13 ILE 37 - QD1 LEU 100 far 0 63 0 - 8.5-16.0 Violated in 0 structures by 0.00 A. Peak 11883 from aliabs.peaks (4.45, 1.39, 19.10 ppm; 3.48 A): 0 out of 30 assignments used, quality = 0.00: HA PRO 58 - QB ALA 110 poor 19 97 20 - 2.0-15.8 HA SER 106 - QB ALA 108 poor 18 91 20 - 3.6-7.1 HA ASP 64 - QB ALA 29 poor 18 91 20 - 1.9-10.8 HA PRO 58 - QB ALA 109 far 15 100 15 - 3.4-14.4 HA SER 106 - QB ALA 110 far 10 96 10 - 3.9-12.2 HA ASP 64 - QB ALA 108 poor 8 94 25 36 2.0-15.2 10980/10964=13...(5) HA ASP 64 - QB ALA 109 far 5 100 5 - 4.5-17.5 HA ASP 64 - QB ALA 28 far 5 99 5 - 4.0-16.1 HA PRO 58 - QB ALA 16 far 5 99 5 - 4.1-33.4 HA SER 106 - QB ALA 15 far 5 95 5 - 4.0-42.5 HA SER 106 - QB ALA 29 far 4 88 5 - 4.7-21.2 HA SER 106 - QB ALA 109 far 0 99 0 - 5.0-9.1 HA SER 106 - QB ALA 16 far 0 97 0 - 5.2-39.2 HB THR 54 - QB ALA 16 far 0 90 0 - 5.3-36.2 HA PRO 58 - QB ALA 108 far 0 93 0 - 6.0-15.2 HA SER 106 - QB ALA 28 far 0 97 0 - 6.0-23.5 HA PRO 58 - QB ALA 15 far 0 96 0 - 6.5-37.3 HA THR 54 - QB ALA 16 far 0 69 0 - 6.6-36.4 HB THR 54 - QB ALA 15 far 0 87 0 - 7.1-37.4 HA ASN 120 - QB ALA 110 far 0 64 0 - 7.4-18.3 HA PRO 58 - QB ALA 29 far 0 90 0 - 7.6-18.0 HA ASP 64 - QB ALA 110 far 0 98 0 - 7.8-18.8 HA PRO 58 - QB ALA 28 far 0 99 0 - 8.4-22.1 HA ASN 120 - QB ALA 109 far 0 68 0 - 8.5-16.8 HA ASP 64 - QB ALA 16 far 0 99 0 - 8.7-27.0 HA THR 54 - QB ALA 15 far 0 66 0 - 8.9-37.4 HA ASP 64 - QB ALA 15 far 0 97 0 - 9.0-30.0 HA ASN 120 - QB ALA 108 far 0 60 0 - 9.2-18.1 HB THR 54 - QB ALA 29 far 0 79 0 - 9.3-23.2 HA THR 54 - QB ALA 29 far 0 59 0 - 9.8-22.5 Violated in 13 structures by 0.43 A. Peak 11884 from aliabs.peaks (1.81, 3.50, 66.53 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.99: HB3 ARG 135 + HA VAL 132 OK 99 99 100 100 3.2-4.9 10639=90, 1.8/10638=80...(27) HB2 ARG 84 - HA VAL 132 far 0 100 0 - 7.0-11.4 HB2 LYS 86 - HA VAL 132 far 0 89 0 - 8.4-11.2 Violated in 1 structures by 0.01 A. Peak 11885 from aliabs.peaks (1.90, 3.50, 66.53 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.98: HB2 ARG 135 + HA VAL 132 OK 98 98 100 100 1.9-5.1 10638=97, 1.8/11884=80...(27) HB3 ARG 84 - HA VAL 132 far 0 99 0 - 7.4-10.5 Violated in 1 structures by 0.01 A. Peak 11886 from aliabs.peaks (1.13, 2.19, 31.57 ppm; 4.40 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 132 + HB VAL 133 OK 99 99 100 100 3.4-5.9 4.4/7933=57, ~11764=53...(36) HG2 LYS 39 + HB VAL 133 OK 53 100 55 96 3.7-7.5 ~10567=44, ~11767=42...(15) HG3 LYS 39 - HB VAL 133 poor 16 65 25 - 5.3-8.3 QG1 VAL 132 - HB VAL 133 far 15 99 15 - 5.5-6.8 Violated in 2 structures by 0.06 A. Peak 11887 from aliabs.peaks (1.14, 3.77, 64.98 ppm; 4.16 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 132 + HA VAL 133 OK 100 100 100 100 3.0-5.2 3.2/11750=45, ~7929=40...(41) QG1 VAL 132 + HA VAL 133 OK 95 95 100 100 4.1-5.4 3.2/11750=45, ~7929=40...(39) HG2 LYS 39 + HA VAL 133 OK 35 99 40 88 4.7-8.8 ~10567=29, ~11767=27...(15) HG3 LYS 39 - HA VAL 133 far 0 83 0 - 6.3-10.3 QG2 THR 18 - HA VAL 133 far 0 73 0 - 8.8-36.7 Violated in 1 structures by 0.00 A. Peak 11888 from aliabs.peaks (6.47, 1.55, 27.60 ppm; 6.27 A): 1 out of 1 assignment used, quality = 0.30: QE TYR 76 + HG13 ILE 37 OK 30 99 30 100 4.3-14.3 ~10841=82, ~9019=81...(13) Violated in 19 structures by 2.49 A. Peak 11889 from aliabs.peaks (6.80, 1.55, 27.60 ppm; 6.49 A): 1 out of 2 assignments used, quality = 0.90: QE TYR 72 + HG13 ILE 37 OK 90 100 90 100 3.0-9.0 9025/2.1=99...(22) HE21 GLN 68 - HG13 ILE 37 poor 11 95 35 33 4.8-15.1 ~9478=9, ~9478=9...(5) Violated in 7 structures by 0.30 A. Peak 11890 from aliabs.peaks (7.41, 0.63, 27.44 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 89 + QD1 LEU 42 OK 100 100 100 100 2.0-4.9 2.2/9110=76...(20) Violated in 2 structures by 0.03 A. Peak 11891 from aliabs.peaks (7.42, 0.56, 24.08 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 89 + QD2 LEU 42 OK 98 98 100 100 1.9-4.2 11890/2.1=64...(20) Violated in 2 structures by 0.01 A. Peak 11892 from aliabs.peaks (7.07, 0.63, 27.44 ppm; 6.38 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + QD1 LEU 42 OK 100 100 100 100 4.1-6.7 2.2/11890=100...(16) Violated in 1 structures by 0.02 A. Peak 11893 from aliabs.peaks (6.80, 0.63, 27.44 ppm; 5.88 A): 1 out of 3 assignments used, quality = 1.00: QE TYR 72 + QD1 LEU 42 OK 100 100 100 100 2.0-6.6 2.2/9111=97...(24) HE21 GLN 127 - QD1 LEU 42 far 12 78 15 - 5.7-14.4 HE21 GLN 68 - QD1 LEU 42 far 5 90 5 - 6.1-10.6 Violated in 2 structures by 0.06 A. Peak 11894 from aliabs.peaks (8.13, 0.56, 24.08 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.98: H VAL 133 + QD2 LEU 42 OK 98 98 100 100 3.9-6.3 4251/10587=87...(18) H ASP 71 - QD2 LEU 42 far 0 100 0 - 6.9-9.2 H GLU 91 - QD2 LEU 42 far 0 97 0 - 8.4-12.1 Violated in 3 structures by 0.11 A. Peak 11895 from aliabs.peaks (6.80, 3.47, 59.85 ppm; 5.46 A): 1 out of 3 assignments used, quality = 1.00: QE TYR 72 + HA LEU 42 OK 100 100 100 100 2.7-5.9 2.2/9113=93, 11131=74...(17) HE21 GLN 68 - HA LEU 42 far 5 90 5 - 6.0-10.0 HE21 GLN 127 - HA LEU 42 far 4 78 5 - 6.9-14.8 Violated in 3 structures by 0.03 A. Peak 11896 from aliabs.peaks (3.84, 0.68, 25.73 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.99: HA GLU 40 + QD1 LEU 43 OK 99 99 100 100 1.8-4.0 9055=94, 9055/2.1=65...(30) HB2 SER 130 - QD1 LEU 43 far 13 85 15 - 5.3-6.8 HD2 PRO 81 - QD1 LEU 43 far 0 93 0 - 6.5-10.9 HB2 SER 50 - QD1 LEU 43 far 0 93 0 - 7.9-11.3 HB2 SER 9 - QD1 LEU 43 far 0 68 0 - 8.6-43.5 Violated in 0 structures by 0.00 A. Peak 11897 from aliabs.peaks (3.86, 0.74, 22.24 ppm; 3.69 A): 1 out of 5 assignments used, quality = 0.56: HA GLU 40 + QD2 LEU 43 OK 56 68 85 97 3.4-5.7 11896/2.1=41, 9055=31...(30) HD2 PRO 81 - QD2 LEU 43 far 0 100 0 - 5.4-11.1 HB3 SER 50 - QD2 LEU 43 far 0 76 0 - 5.9-10.3 HA LEU 70 - QD2 LEU 43 far 0 71 0 - 8.6-10.4 HA LEU 123 - QD2 LEU 43 far 0 100 0 - 8.6-12.5 Violated in 12 structures by 0.68 A. Peak 11898 from aliabs.peaks (4.04, 0.68, 25.73 ppm; 5.44 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 44 + QD1 LEU 43 OK 99 99 100 100 5.3-5.7 2.8/6523=80, 4.9/1344=68...(13) HD3 PRO 81 + QD1 LEU 43 OK 42 100 65 65 5.5-10.4 11900/2.1=28, ~9127=20...(6) HA ARG 135 - QD1 LEU 43 poor 14 87 75 21 5.9-8.0 4309/11740=19, 11900/2.1=1 HA ILE 37 - QD1 LEU 43 far 0 92 0 - 7.9-10.3 Violated in 3 structures by 0.03 A. Peak 11899 from aliabs.peaks (4.36, 0.68, 25.73 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.99: HA GLN 134 + QD1 LEU 43 OK 99 99 100 100 1.9-4.4 4261/9121=63...(22) HA ASP 47 - QD1 LEU 43 far 4 78 5 - 6.2-8.8 HA CYS 73 - QD1 LEU 43 far 0 87 0 - 8.1-10.7 HA LYS 24 - QD1 LEU 43 far 0 57 0 - 8.2-27.8 HA LEU 69 - QD1 LEU 43 far 0 97 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 11900 from aliabs.peaks (4.03, 0.74, 22.24 ppm; 5.03 A): 2 out of 5 assignments used, quality = 0.96: HA GLU 44 + QD2 LEU 43 OK 93 93 100 100 4.8-6.0 2.8/1390=80, 4.9/1345=62...(16) HD3 PRO 81 + QD2 LEU 43 OK 48 98 80 61 4.5-10.9 2.3/9127=26...(6) HB2 SER 38 - QD2 LEU 43 poor 15 73 20 - 6.4-9.1 HA ARG 135 - QD2 LEU 43 lone 2 97 25 8 5.9-8.1 11898/2.1=6 HA ILE 37 - QD2 LEU 43 far 0 99 0 - 6.8-10.4 Violated in 12 structures by 0.16 A. Peak 11901 from aliabs.peaks (1.17, 0.68, 25.73 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.96: HG3 LYS 39 + QD1 LEU 43 OK 96 100 100 97 2.1-4.2 4.0/9119=27...(24) QB ALA 41 - QD1 LEU 43 far 0 97 0 - 5.4-6.9 QG2 VAL 132 - QD1 LEU 43 far 0 68 0 - 5.8-8.0 QG2 THR 25 - QD1 LEU 43 far 0 97 0 - 5.9-22.8 QG2 VAL 77 - QD1 LEU 43 far 0 83 0 - 8.9-11.1 HG12 ILE 32 - QD1 LEU 43 far 0 96 0 - 9.4-18.7 Violated in 5 structures by 0.08 A. Peak 11902 from aliabs.peaks (1.06, 0.68, 25.73 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.92: QG2 VAL 133 + QD1 LEU 43 OK 92 92 100 100 2.0-4.1 2.1/11677=82...(36) Violated in 1 structures by 0.01 A. Peak 11903 from aliabs.peaks (1.37, 0.68, 25.73 ppm; 4.31 A): 1 out of 8 assignments used, quality = 0.84: HB2 LEU 42 + QD1 LEU 43 OK 84 100 85 98 4.5-6.5 6500/6509=49, ~9129=44...(13) QB ALA 29 - QD1 LEU 43 far 0 100 0 - 7.7-16.7 HG2 LYS 24 - QD1 LEU 43 far 0 100 0 - 8.3-26.3 QB ALA 15 - QD1 LEU 43 far 0 99 0 - 8.5-28.9 QB ALA 28 - QD1 LEU 43 far 0 97 0 - 8.8-19.0 QB ALA 16 - QD1 LEU 43 far 0 87 0 - 9.0-26.9 HG2 LYS 36 - QD1 LEU 43 far 0 99 0 - 9.5-14.1 HG3 LYS 26 - QD1 LEU 43 far 0 99 0 - 9.6-25.9 Violated in 20 structures by 1.00 A. Peak 11904 from aliabs.peaks (4.13, 2.04, 30.10 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.99: HA ALA 52 + HB3 GLU 55 OK 99 100 100 99 1.8-6.1 11905/1.8=80...(9) HA3 GLY 114 - HB3 GLU 55 far 0 98 0 - 6.4-15.3 HA LEU 49 - HB3 GLU 55 far 0 71 0 - 6.5-10.7 Violated in 7 structures by 0.19 A. Peak 11905 from aliabs.peaks (4.13, 1.99, 30.10 ppm; 4.64 A): 1 out of 4 assignments used, quality = 0.90: HA ALA 52 + HB2 GLU 55 OK 90 100 90 100 2.0-6.7 11904/1.8=78...(15) HA LEU 49 - HB2 GLU 55 far 0 65 0 - 6.8-11.3 HA3 GLY 114 - HB2 GLU 55 far 0 97 0 - 7.3-15.9 HA CYS 45 - HB3 GLU 30 far 0 22 0 - 7.9-20.9 Violated in 8 structures by 0.32 A. Peak 11906 from aliabs.peaks (1.50, 0.91, 26.02 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.53: QB ALA 52 + QD1 LEU 62 OK 33 85 40 97 2.7-7.4 9232/2.1=72, ~9230=38...(11) HB2 LEU 53 + QD1 LEU 62 OK 30 76 40 99 3.3-9.6 ~10338=41, ~10038=39...(21) HB2 LEU 49 - QD1 LEU 62 far 10 100 10 - 4.5-8.5 HG LEU 69 - QD1 LEU 62 far 0 89 0 - 7.6-11.4 Violated in 14 structures by 1.02 A. Peak 11907 from aliabs.peaks (4.13, 1.23, 22.77 ppm; 3.67 A): 2 out of 7 assignments used, quality = 0.90: HA LEU 49 + QG2 THR 65 OK 84 85 100 99 2.0-4.7 2.9/11703=47, 9200=40...(24) HA CYS 45 + QG2 THR 65 OK 41 96 45 96 3.8-6.4 9155=53, 9153/9443=38...(16) HA LEU 48 - QG2 THR 65 poor 14 68 20 - 3.9-7.5 HA ALA 52 - QG2 THR 65 far 0 100 0 - 5.6-8.6 HA ILE 32 - QG2 THR 65 far 0 85 0 - 7.9-14.8 HA GLN 101 - QG2 THR 65 far 0 83 0 - 8.9-12.2 HA3 GLY 114 - QG2 THR 65 far 0 100 0 - 9.2-15.3 Violated in 2 structures by 0.03 A. Peak 11910 from aliabs.peaks (4.32, 1.83, 26.84 ppm; 6.44 A): 3 out of 3 assignments used, quality = 0.99: HA TYR 76 + HB2 CYS 79 OK 95 96 100 100 2.6-4.8 4.7/9706=78...(11) HA PRO 81 + HB2 CYS 79 OK 77 99 95 82 6.0-8.1 4.9/2427=37...(5) HA2 GLY 75 + HB2 CYS 79 OK 45 99 85 53 6.5-8.7 11162/7064=19...(4) Violated in 0 structures by 0.00 A. Peak 11911 from aliabs.peaks (4.33, 2.60, 26.84 ppm; 5.46 A): 2 out of 4 assignments used, quality = 0.78: HA TYR 76 + HB3 CYS 79 OK 67 71 100 94 3.0-5.4 11162/7065=47...(10) HA PRO 81 + HB3 CYS 79 OK 34 100 50 68 6.1-8.4 9735/11212=31...(5) HA2 GLY 75 - HB3 CYS 79 poor 20 99 20 - 6.4-9.6 HA GLN 134 - HB3 CYS 79 far 0 81 0 - 9.2-13.6 Violated in 0 structures by 0.00 A. Peak 11912 from aliabs.peaks (2.07, 4.20, 54.66 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.87: HG3 GLU 91 + HA ALA 88 OK 87 87 100 100 2.3-4.1 1.8/11913=78...(17) HB2 GLU 128 - HA ALA 88 far 0 99 0 - 6.0-9.7 Violated in 0 structures by 0.00 A. Peak 11913 from aliabs.peaks (2.20, 4.20, 54.66 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.97: HG2 GLU 91 + HA ALA 88 OK 97 97 100 100 4.1-5.3 1.8/11912=77...(15) HB VAL 133 - HA ALA 88 far 0 97 0 - 9.8-11.8 Violated in 10 structures by 0.18 A. Peak 11914 from aliabs.peaks (0.75, 1.43, 18.11 ppm; 3.54 A): 4 out of 8 assignments used, quality = 1.00: HG12 ILE 129 + QB ALA 92 OK 99 99 100 100 1.6-2.9 2.1/10491=75...(27) QD2 LEU 96 + QB ALA 92 OK 77 100 85 91 2.6-5.5 11691/9951=23...(27) QD1 LEU 96 + QB ALA 92 OK 41 83 60 83 3.3-5.9 3.2/11315=13...(29) QG1 VAL 93 + QB ALA 92 OK 40 100 40 100 3.2-5.2 2.1/9945=59, 9974=47...(29) QD2 LEU 43 - QB ALA 92 far 0 98 0 - 7.5-8.6 QD1 ILE 32 - QB ALA 92 far 0 92 0 - 8.9-14.9 QD1 ILE 37 - QB ALA 92 far 0 92 0 - 9.0-12.1 QD2 LEU 103 - QB ALA 92 far 0 83 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 11915 from aliabs.peaks (0.84, 2.24, 40.82 ppm; 5.41 A): 3 out of 6 assignments used, quality = 0.99: QD2 LEU 70 + HB3 LEU 96 OK 93 93 100 100 2.1-5.5 11916/1.8=64...(45) QG2 ILE 129 + HB3 LEU 96 OK 80 85 95 100 4.8-7.3 3.0/11354=64...(35) QD2 LEU 69 + HB3 LEU 96 OK 49 76 65 98 5.2-8.3 ~11805=53, 11040/3.2=38...(15) QD1 LEU 98 - HB3 LEU 96 far 9 90 10 - 6.3-8.6 QG1 VAL 133 - HB3 LEU 96 far 0 100 0 - 8.5-10.0 QG2 ILE 80 - HB3 LEU 96 far 0 63 0 - 9.1-14.4 Violated in 0 structures by 0.00 A. Peak 11916 from aliabs.peaks (0.85, 1.38, 40.82 ppm; 4.27 A): 3 out of 6 assignments used, quality = 0.95: QD2 LEU 70 + HB2 LEU 96 OK 91 97 95 100 2.3-6.2 9496/1.8=50...(50) QD2 LEU 69 + HB2 LEU 96 OK 26 83 35 91 4.5-7.8 11040/3.2=35, ~11805=30...(13) QG2 ILE 129 + HB2 LEU 96 OK 23 78 30 98 5.2-7.3 ~11354=30, ~11454=26...(35) QD1 LEU 98 - HB2 LEU 96 far 0 95 0 - 6.9-8.8 QG1 VAL 133 - HB2 LEU 96 far 0 99 0 - 8.5-10.1 QG2 ILE 32 - HB2 LEU 96 far 0 99 0 - 9.9-15.2 Violated in 7 structures by 0.15 A. Peak 11917 from aliabs.peaks (0.84, 1.40, 27.00 ppm; 4.13 A): 2 out of 8 assignments used, quality = 0.94: QD2 LEU 70 + HG LEU 96 OK 84 89 95 99 1.7-5.9 11916/3.0=37...(39) QD1 LEU 70 + HG LEU 96 OK 62 63 100 99 1.6-4.5 2.1/11106=34, ~11916=23...(39) QG2 ILE 129 - HG LEU 96 far 14 90 15 - 5.3-7.4 QD2 LEU 69 - HG LEU 96 far 10 68 15 - 4.0-8.6 QD1 LEU 98 - HG LEU 96 far 0 85 0 - 6.5-8.6 QG2 ILE 32 - HG LEU 96 far 0 100 0 - 8.5-14.8 QG1 VAL 133 - HG LEU 96 far 0 100 0 - 8.7-10.7 QG2 ILE 80 - HG LEU 96 far 0 71 0 - 9.7-14.2 Violated in 1 structures by 0.00 A. Peak 11918 from aliabs.peaks (0.60, 1.40, 27.00 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.64: QD1 LEU 100 + HG LEU 96 OK 64 100 65 99 3.4-7.4 11115/11917=33...(41) Violated in 12 structures by 0.96 A. Peak 11919 from aliabs.peaks (0.67, 1.40, 27.00 ppm; 5.05 A): 2 out of 3 assignments used, quality = 0.95: QD1 ILE 129 + HG LEU 96 OK 90 90 100 100 2.7-4.7 9982/5.0=50...(41) QD2 LEU 100 + HG LEU 96 OK 52 96 55 99 3.1-8.3 2.1/11918=82...(34) QD2 LEU 62 - HG LEU 96 far 0 97 0 - 7.2-10.8 Violated in 0 structures by 0.00 A. Peak 11920 from aliabs.peaks (3.23, 2.24, 40.82 ppm; 6.10 A): 2 out of 2 assignments used, quality = 0.87: HB3 CYS 125 + HB3 LEU 96 OK 65 65 100 100 2.1-4.6 9987/3.2=72, 9989/3.2=60...(37) HA VAL 93 + HB3 LEU 96 OK 63 63 100 100 1.9-4.5 3.2/9971=64, 7311/3.8=56...(47) Violated in 0 structures by 0.00 A. Peak 11921 from aliabs.peaks (3.18, 1.40, 27.00 ppm; 6.41 A): 1 out of 2 assignments used, quality = 0.89: HB3 CYS 125 + HG LEU 96 OK 89 89 100 100 3.3-6.1 9987/2.1=80, 9989/2.1=52...(33) HD3 ARG 90 - HG LEU 96 far 0 81 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 11922 from aliabs.peaks (0.85, 1.49, 28.46 ppm; 4.93 A): 3 out of 5 assignments used, quality = 1.00: QG1 VAL 133 + HG LEU 42 OK 99 99 100 100 2.8-5.2 10585/2.1=96...(28) QD2 LEU 69 + HG LEU 42 OK 79 83 95 100 1.8-8.6 2.1/9078=86, ~11039=74...(35) QG2 ILE 129 + HG LEU 42 OK 74 78 95 99 3.7-6.6 10486/2.1=68, ~9086=58...(18) QD2 LEU 70 - HG LEU 42 poor 19 97 20 - 5.8-11.0 QG2 ILE 32 - HG LEU 42 far 5 99 5 - 5.9-12.0 Violated in 0 structures by 0.00 A. Peak 11923 from aliabs.peaks (1.37, 0.86, 19.34 ppm; 3.94 A): 0 out of 14 assignments used, quality = 0.00: QB ALA 29 - QG2 VAL 57 far 10 97 10 - 5.1-14.6 QB ALA 15 - QG2 VAL 57 far 5 95 5 - 4.9-28.8 QB ALA 110 - QG2 VAL 57 far 5 93 5 - 5.2-14.7 QB ALA 21 - QG2 VAL 57 far 4 78 5 - 4.8-23.9 HG2 LYS 19 - QG2 VAL 57 far 0 100 0 - 5.6-31.6 QB ALA 28 - QG2 VAL 57 far 0 90 0 - 5.7-17.8 QB ALA 16 - QG2 VAL 57 far 0 76 0 - 6.5-26.2 QB ALA 109 - QG2 VAL 57 far 0 85 0 - 6.9-12.9 QB ALA 12 - QG2 VAL 57 far 0 98 0 - 7.3-28.9 QB ALA 108 - QG2 VAL 57 far 0 97 0 - 7.7-13.6 HG3 LYS 26 - QG2 VAL 57 far 0 95 0 - 8.6-21.9 HG2 LYS 24 - QG2 VAL 57 far 0 99 0 - 8.8-23.3 HB3 LEU 100 - QG2 VAL 57 far 0 100 0 - 8.9-11.4 QB ALA 46 - QG2 VAL 57 far 0 60 0 - 9.1-10.5 Violated in 20 structures by 2.46 A. Peak 11924 from aliabs.peaks (1.36, 0.94, 21.27 ppm; 3.72 A): 0 out of 24 assignments used, quality = 0.00: QB ALA 109 - QG1 VAL 105 poor 8 38 20 - 2.9-10.5 QB ALA 28 - QG1 VAL 57 far 8 76 10 - 4.4-19.4 QB ALA 29 - QG1 VAL 105 far 5 53 10 - 3.5-17.0 QB ALA 108 - QG1 VAL 105 far 5 52 10 - 4.7-8.8 HG2 LYS 19 - QG1 VAL 57 far 5 98 5 - 3.5-30.6 QB ALA 21 - QG1 VAL 57 far 5 92 5 - 3.7-23.4 QB ALA 29 - QG1 VAL 57 far 4 89 5 - 3.3-15.9 QB ALA 15 - QG1 VAL 57 far 4 83 5 - 4.0-28.6 QB ALA 12 - QG1 VAL 105 far 3 67 5 - 4.9-34.9 HG3 LYS 26 - QG1 VAL 105 far 2 48 5 - 4.0-23.7 QB ALA 110 - QG1 VAL 105 far 0 47 0 - 5.9-12.6 QB ALA 110 - QG1 VAL 57 far 0 81 0 - 5.9-16.4 QB ALA 12 - QG1 VAL 57 far 0 100 0 - 6.0-28.4 QB ALA 15 - QG1 VAL 105 far 0 48 0 - 6.5-33.7 QB ALA 28 - QG1 VAL 105 far 0 43 0 - 6.5-19.0 QB ALA 109 - QG1 VAL 57 far 0 68 0 - 6.7-14.7 HB3 LEU 100 - QG1 VAL 105 far 0 60 0 - 6.8-10.6 QB ALA 21 - QG1 VAL 105 far 0 56 0 - 7.4-30.2 HG3 LYS 26 - QG1 VAL 57 far 0 83 0 - 7.8-23.9 HG2 LYS 24 - QG1 VAL 57 far 0 92 0 - 7.8-23.4 QB ALA 108 - QG1 VAL 57 far 0 87 0 - 8.0-14.8 HG2 LYS 24 - QG1 VAL 105 far 0 56 0 - 8.9-31.0 HG3 LYS 31 - QG1 VAL 105 far 0 42 0 - 9.4-23.1 QB ALA 46 - QG1 VAL 57 far 0 78 0 - 9.6-11.9 Violated in 13 structures by 0.89 A. Peak 11925 from aliabs.peaks (7.14, 2.61, 39.26 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.98: QD TYR 72 + HB2 ASP 71 OK 97 98 100 99 2.5-6.3 6983/6978=75...(10) HD2 HIS 67 + HB2 ASP 71 OK 20 89 65 35 4.1-10.1 11927/3.0=19...(3) Violated in 0 structures by 0.00 A. Peak 11926 from aliabs.peaks (7.13, 2.81, 39.26 ppm; 6.27 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 72 + HB3 ASP 71 OK 100 100 100 100 2.9-6.2 11128=100, 6983/6979=93...(11) HD2 HIS 67 + HB3 ASP 71 OK 38 65 90 65 3.2-8.8 11096/9511=37...(6) Violated in 0 structures by 0.00 A. Peak 11927 from aliabs.peaks (7.14, 4.42, 57.33 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 72 + HA ASP 71 OK 98 98 100 100 4.5-6.2 6983/3.6=97...(8) HD2 HIS 67 + HA ASP 71 OK 63 89 85 84 4.4-10.6 11096/11115=46...(6) Violated in 0 structures by 0.00 A. Peak 11928 from aliabs.peaks (2.19, 2.61, 39.26 ppm; 5.10 A): 3 out of 6 assignments used, quality = 0.98: HB3 GLN 68 + HB2 ASP 71 OK 93 93 100 100 5.2-6.4 3.0/2128=86, ~2129=64...(19) HB2 GLN 68 + HB2 ASP 71 OK 55 73 75 100 6.0-6.9 3.0/2128=86, ~2129=64...(17) HG2 GLN 68 + HB2 ASP 71 OK 40 81 50 99 5.4-7.3 3.7/2128=76, ~11025=57...(12) HB2 GLN 101 - HB2 ASP 71 far 0 97 0 - 6.6-12.8 HB3 GLU 97 - HB2 ASP 71 far 0 71 0 - 7.6-11.5 HB2 GLN 104 - HB2 ASP 71 far 0 99 0 - 9.8-15.0 Violated in 6 structures by 0.05 A. Peak 11929 from aliabs.peaks (0.30, 4.27, 61.07 ppm; 5.94 A): 2 out of 2 assignments used, quality = 0.68: QG2 VAL 93 + HA PHE 87 OK 46 98 50 94 7.1-7.9 11411/2804=51...(13) QG2 VAL 93 + HA SER 74 OK 41 41 100 100 2.0-3.5 9576/2.9=84...(26) Violated in 0 structures by 0.00 A. Peak 11930 from aliabs.peaks (1.04, 4.20, 54.66 ppm; 4.76 A): 0 out of 1 assignment used, quality = 0.00: QG1 VAL 77 - HA ALA 88 far 0 89 0 - 7.8-9.8 Violated in 20 structures by 3.91 A. Peak 11931 from aliabs.peaks (1.17, 1.74, 27.95 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.83: QG2 VAL 77 + HG3 ARG 90 OK 83 83 100 100 1.8-4.0 9662/1.8=69...(30) QG2 VAL 132 - HG3 ARG 90 far 0 68 0 - 6.0-8.4 Violated in 0 structures by 0.00 A. Peak 11932 from aliabs.peaks (1.06, 1.74, 27.95 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 77 + HG3 ARG 90 OK 99 99 100 100 3.2-6.0 9652/1.8=89...(27) QG2 VAL 133 - HG3 ARG 90 far 0 85 0 - 8.5-12.2 Violated in 8 structures by 0.22 A. Peak 11933 from aliabs.peaks (0.29, 1.74, 27.95 ppm; 5.78 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 93 + HG3 ARG 90 OK 100 100 100 100 3.6-5.9 11411/2.9=94...(21) QD1 ILE 80 + HG3 ARG 90 OK 81 81 100 100 2.4-7.0 ~11244=54, 9747/9888=49...(23) Violated in 0 structures by 0.00 A. Peak 11934 from aliabs.peaks (0.29, 3.17, 43.17 ppm; 4.85 A): 4 out of 4 assignments used, quality = 0.92: QD1 ILE 80 + HD2 ARG 90 OK 51 81 65 98 2.8-7.3 3.1/11244=61, 11219=41...(19) QG2 VAL 93 + HD3 ARG 90 OK 50 100 50 99 5.5-7.7 11411/3.8=66...(15) QG2 VAL 93 + HD2 ARG 90 OK 45 100 45 99 5.6-7.2 11411/3.8=66...(15) QD1 ILE 80 + HD3 ARG 90 OK 43 80 55 98 3.4-7.8 ~11244=49, 11219/1.8=38...(19) Violated in 8 structures by 0.12 A. Peak 11935 from aliabs.peaks (1.18, 2.02, 27.95 ppm; 3.78 A): 4 out of 14 assignments used, quality = 1.00: QG2 VAL 77 + HG2 ARG 90 OK 100 100 100 100 2.7-4.4 9662=93, 11303/1.8=63...(29) QB ALA 41 + HB2 GLU 44 OK 64 65 100 100 3.8-4.3 10857=68, 2.1/1280=51...(21) HG3 LYS 39 + HB3 GLU 40 OK 48 63 100 76 3.1-5.1 9056/3.0=20, 9054/1.8=18...(14) QB ALA 41 + HB3 GLU 40 OK 33 83 40 99 3.7-5.5 ~6470=34, ~1253=31...(19) QG2 THR 18 - HG2 PRO 58 far 8 80 10 - 3.7-31.6 QG2 THR 25 - HB2 GLU 44 far 6 65 10 - 2.3-24.4 QG2 THR 25 - HB3 GLU 40 far 4 84 5 - 5.0-25.9 HG12 ILE 32 - HB2 GLU 44 far 4 36 10 - 3.5-17.9 HG3 LYS 39 - HB2 GLU 44 far 0 48 0 - 6.9-10.4 QG2 THR 25 - HG2 PRO 58 far 0 92 0 - 7.1-25.7 HG12 ILE 32 - HB3 GLU 40 far 0 49 0 - 7.2-21.5 QG2 THR 18 - HB2 GLU 44 far 0 54 0 - 8.4-31.7 HG12 ILE 32 - HG2 PRO 58 far 0 56 0 - 9.1-25.0 QG2 THR 18 - HB3 GLU 40 far 0 71 0 - 9.6-35.3 Violated in 0 structures by 0.00 A. Peak 11936 from aliabs.peaks (1.06, 2.02, 27.95 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.99: QG1 VAL 77 + HG2 ARG 90 OK 99 99 100 100 4.2-5.4 9652=96, 2.1/9662=89...(26) QG2 VAL 133 - HB3 GLU 40 poor 12 63 40 45 5.7-8.9 10563/6460=14...(8) QG2 VAL 133 - HB2 GLU 44 far 0 48 0 - 6.9-9.7 QG2 VAL 133 - HG2 ARG 90 far 0 83 0 - 9.0-12.6 Violated in 15 structures by 0.25 A. Peak 11937 from aliabs.peaks (0.77, 2.24, 35.20 ppm; 4.22 A): 3 out of 10 assignments used, quality = 1.00: QD1 LEU 96 + HG2 GLU 97 OK 99 99 100 100 1.8-5.0 11451/3134=53, 3102=42...(36) QG1 VAL 93 + HG2 GLU 97 OK 87 92 95 99 2.9-6.5 9972/1.8=68...(21) QD2 LEU 96 + HG2 GLU 97 OK 77 90 85 100 1.9-6.2 11809/3.8=45...(34) QD2 LEU 122 - HG2 GLU 97 far 4 81 5 - 5.6-10.1 QD1 ILE 32 - HG2 GLU 97 far 0 100 0 - 7.4-15.7 QD1 ILE 37 - HG2 GLU 97 far 0 100 0 - 7.5-14.7 QG1 VAL 63 - HG2 GLU 97 far 0 89 0 - 7.6-11.3 HG12 ILE 129 - HG2 GLU 97 far 0 85 0 - 8.4-10.9 QD1 LEU 103 - HG2 GLU 97 far 0 90 0 - 8.8-11.6 QD1 LEU 53 - HG2 GLU 97 far 0 63 0 - 9.4-14.7 Violated in 1 structures by 0.00 A. Peak 11938 from aliabs.peaks (0.75, 2.40, 35.20 ppm; 4.43 A): 3 out of 12 assignments used, quality = 1.00: QD2 LEU 96 + HG3 GLU 97 OK 100 100 100 100 1.8-5.7 11809/3.8=58...(29) QG1 VAL 93 + HG3 GLU 97 OK 95 100 95 100 2.3-7.0 9972=86, 9973/1.8=41...(20) QD1 LEU 96 + HG3 GLU 97 OK 81 85 95 100 1.8-6.2 11451/3.8=46...(34) QD2 LEU 43 - HG3 GLU 40 poor 19 78 25 - 5.6-8.3 QD1 ILE 37 - HG3 GLU 40 far 4 73 5 - 5.5-10.3 QG1 VAL 63 - HG3 GLU 97 far 0 63 0 - 7.1-11.9 QD1 ILE 32 - HG3 GLU 97 far 0 93 0 - 7.5-15.8 QD1 ILE 32 - HG3 GLU 40 far 0 73 0 - 7.5-16.0 QD2 LEU 103 - HG3 GLU 97 far 0 81 0 - 7.6-11.5 QD1 LEU 103 - HG3 GLU 97 far 0 65 0 - 7.7-12.8 QD1 ILE 37 - HG3 GLU 97 far 0 93 0 - 8.0-14.4 HG12 ILE 129 - HG3 GLU 97 far 0 99 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 11939 from aliabs.peaks (2.07, 4.40, 61.45 ppm; 4.62 A): 1 out of 5 assignments used, quality = 0.45: HG3 PRO 113 + HA THR 115 OK 45 92 50 98 5.9-9.4 10189/3636=57, ~11558=31...(18) HG3 PRO 117 - HA THR 115 far 4 81 5 - 5.0-8.8 HG2 PRO 117 - HA THR 115 far 4 81 5 - 6.1-8.9 HB VAL 118 - HA THR 115 far 0 99 0 - 7.9-9.7 HB VAL 57 - HA THR 115 far 0 89 0 - 9.9-17.2 Violated in 20 structures by 2.92 A. Peak 11941 from aliabs.peaks (8.15, 2.28, 31.42 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.97: H VAL 133 + HB VAL 132 OK 97 97 100 100 2.5-4.2 7929=95, 3.3/7917=73...(23) Violated in 0 structures by 0.00 A. Peak 11942 from aliabs.peaks (8.48, 2.28, 31.42 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.98: H VAL 132 + HB VAL 132 OK 98 98 100 100 2.9-3.6 3.8=100 H LEU 100 - HB3 PRO 113 far 0 82 0 - 8.1-18.7 Violated in 0 structures by 0.00 A. Peak 11943 from aliabs.peaks (7.08, 2.28, 31.42 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 89 + HB VAL 132 OK 100 100 100 100 2.2-5.3 10554/11764=53...(28) Violated in 7 structures by 0.12 A. Peak 11944 from aliabs.peaks (1.16, 1.97, 37.79 ppm; 4.94 A): 1 out of 7 assignments used, quality = 0.93: QB ALA 41 + HB ILE 37 OK 93 93 100 100 1.7-5.3 10910/2.1=98...(21) QG2 THR 18 - HB ILE 37 far 5 100 5 - 4.4-29.0 HG12 ILE 32 - HB ILE 37 far 0 99 0 - 7.9-13.1 HG3 LYS 39 - HB ILE 37 far 0 100 0 - 7.9-9.8 HG2 LYS 39 - HB ILE 37 far 0 65 0 - 8.2-10.4 QG2 THR 25 - HB ILE 37 far 0 92 0 - 8.8-20.5 QG2 VAL 77 - HB ILE 37 far 0 73 0 - 9.5-13.9 Violated in 3 structures by 0.04 A. Peak 11945 from aliabs.peaks (2.25, 3.85, 50.95 ppm; 4.58 A): 1 out of 4 assignments used, quality = 0.52: HB2 PRO 81 + HD2 PRO 81 OK 52 52 100 100 3.0-4.0 3.0=100 HB VAL 132 - HD2 PRO 81 poor 13 68 45 41 4.6-7.4 10532/4.0=10...(9) HB3 PRO 113 - HD2 PRO 117 far 4 78 5 - 6.0-12.2 HB3 GLU 102 - HD2 PRO 117 far 0 66 0 - 7.7-11.8 Violated in 0 structures by 0.00 A. Peak 11946 from aliabs.peaks (2.26, 4.04, 50.95 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.49: HB2 PRO 81 + HD3 PRO 81 OK 49 49 100 100 3.0-3.9 3.0=100 HB VAL 132 - HD3 PRO 81 poor 20 78 25 - 4.2-8.8 Violated in 0 structures by 0.00 A. Peak 11947 from aliabs.peaks (1.93, 4.04, 50.95 ppm; 4.57 A): 1 out of 4 assignments used, quality = 0.87: HB3 PRO 81 + HD3 PRO 81 OK 87 87 100 100 3.0-4.0 3.0=100 HB3 LYS 86 - HD3 PRO 81 far 4 76 5 - 5.7-9.1 HB2 ARG 90 - HD3 PRO 81 far 0 81 0 - 9.1-12.7 HB2 MET 11 - HD3 PRO 81 far 0 90 0 - 9.2-47.7 Violated in 0 structures by 0.00 A. Peak 11948 from aliabs.peaks (3.95, 0.78, 24.12 ppm; 6.80 A): 6 out of 11 assignments used, quality = 1.00: HA LEU 100 + QD1 LEU 103 OK 95 95 100 100 3.0-5.3 3228/7476=77...(35) HD3 PRO 117 + QD1 LEU 103 OK 92 100 95 96 3.2-11.6 3670/10232=52...(15) HB2 SER 106 + QD1 LEU 103 OK 70 92 80 95 3.8-10.0 3.0/11535=56...(12) HB3 SER 107 + QD1 LEU 103 OK 63 99 65 99 2.8-10.5 11473/10069=73, 10106=43...(20) HB3 SER 106 + QD1 LEU 103 OK 47 63 80 94 3.6-10.4 3.0/11535=56...(14) HD3 PRO 113 + QD1 LEU 103 OK 23 92 50 49 3.3-10.8 11575/10195=43...(3) HA3 GLY 111 - QD1 LEU 103 lone 4 99 45 8 3.2-10.7 10679/11541=4 HA2 GLY 111 - QD1 LEU 103 lone 3 83 60 5 1.9-10.3 10117/11541=1 HA3 GLY 17 - QD1 LEU 103 far 0 99 0 - 8.4-35.4 HA THR 65 - QD1 LEU 103 far 0 85 0 - 8.6-12.3 HA2 GLY 17 - QD1 LEU 103 far 0 100 0 - 9.3-36.8 Violated in 0 structures by 0.00 A. Peak 11949 from aliabs.peaks (3.95, 0.73, 25.24 ppm; 6.80 A): 5 out of 9 assignments used, quality = 1.00: HA LEU 100 + QD2 LEU 103 OK 97 97 100 100 2.2-4.4 3228/7477=78...(32) HD3 PRO 117 + QD2 LEU 103 OK 92 100 95 97 4.6-11.9 4.8/11831=77...(11) HB3 SER 107 + QD2 LEU 103 OK 51 100 55 94 3.9-10.0 11473/11826=49...(13) HB2 SER 106 + QD2 LEU 103 OK 37 96 45 86 4.8-10.0 ~11535=48, ~10096=28...(9) HB3 SER 106 + QD2 LEU 103 OK 26 71 40 92 4.8-10.0 ~11535=48, ~10106=27...(12) HA THR 65 - QD2 LEU 103 poor 16 90 25 72 7.7-10.9 4.9/11842=63...(3) HD3 PRO 113 - QD2 LEU 103 poor 12 87 30 44 5.4-11.8 11561/11825=23...(4) HA2 GLY 111 - QD2 LEU 103 lone 3 76 40 9 3.8-11.8 10117/11825=5 HA3 GLY 111 - QD2 LEU 103 lone 1 98 25 4 5.3-12.4 Violated in 0 structures by 0.00 A. Peak 11951 from aliabs.peaks (2.05, 0.81, 25.60 ppm; 6.80 A): 4 out of 18 assignments used, quality = 1.00: HB VAL 118 + QD1 LEU 122 OK 93 93 100 100 3.5-6.7 11594/11092=57...(47) HB2 LEU 62 + QD1 LEU 122 OK 84 99 95 89 4.4-9.0 9395/2.1=24...(32) HB2 GLN 127 + QD1 LEU 122 OK 65 100 90 72 5.9-9.7 4.0/3892=31...(11) HB VAL 118 + QD1 LEU 70 OK 49 85 85 68 7.0-11.5 11494/9487=53...(5) HB2 GLU 102 - QD1 LEU 70 poor 20 50 40 - 6.4-10.6 HG2 PRO 117 - QD1 LEU 122 poor 20 100 40 49 6.8-10.8 10325/11092=19...(12) HB2 GLN 127 - QD1 LEU 70 poor 19 94 20 - 7.0-12.4 HG3 PRO 117 - QD1 LEU 122 poor 14 100 35 39 7.0-10.7 10325/11092=14...(12) HB3 GLN 27 - QD1 LEU 70 far 13 88 15 - 5.4-20.0 HB3 GLN 27 - QD1 LEU 122 far 10 96 10 - 6.3-18.5 HB2 GLU 128 - QD1 LEU 122 far 6 60 10 - 7.7-11.3 HG3 PRO 113 - QD1 LEU 122 far 5 99 5 - 7.2-15.3 HB2 LEU 62 - QD1 LEU 70 far 5 93 5 - 7.9-12.3 HG3 PRO 58 - QD1 LEU 122 far 0 96 0 - 8.6-13.0 HB2 GLU 102 - QD1 LEU 122 far 0 57 0 - 8.8-10.8 HB2 GLU 128 - QD1 LEU 70 far 0 53 0 - 9.0-12.8 QE MET 11 - QD1 LEU 70 far 0 65 0 - 9.1-32.2 HG2 PRO 117 - QD1 LEU 70 far 0 95 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 11952 from aliabs.peaks (0.68, 1.60, 27.00 ppm; 6.80 A): 6 out of 10 assignments used, quality = 1.00: QD2 LEU 100 + HG LEU 122 OK 100 100 100 100 2.0-5.8 ~10337=43, ~3903=41...(52) QD2 LEU 100 + HG LEU 70 OK 97 97 100 100 1.8-6.4 ~11115=98, ~9487=77...(27) QD2 LEU 62 + HG LEU 122 OK 89 100 100 89 1.9-5.5 ~9395=20, 11483/7745=17...(27) QD2 LEU 62 + HG LEU 119 OK 66 69 95 100 3.7-8.4 ~10992=51, ~10951=46...(35) QD1 ILE 129 + HG LEU 70 OK 38 55 100 70 4.7-7.3 11709/3.7=44...(9) QD1 ILE 129 + HG LEU 122 OK 33 60 95 57 6.5-8.6 10400/10405=25...(9) QD2 LEU 100 - HG LEU 119 poor 15 69 85 25 4.4-9.1 1999/10258=10...(5) QD2 LEU 62 - HG LEU 70 lone 13 97 75 18 6.0-9.8 3254/3887=6...(5) QD2 LEU 100 - HG3 ARG 23 far 0 77 0 - 9.2-26.0 QD2 LEU 62 - HG3 ARG 23 far 0 77 0 - 9.6-24.9 Violated in 0 structures by 0.00 A. Peak 11953 from aliabs.peaks (3.44, 1.13, 22.78 ppm; 6.80 A): 6 out of 8 assignments used, quality = 1.00: HA ILE 129 + QG1 VAL 132 OK 98 98 100 100 1.9-4.6 4213/2.1=98...(42) HA ILE 129 + QG2 VAL 132 OK 68 68 100 100 1.7-2.8 4213/2.1=98, 7909/4.0=87...(46) HA VAL 77 + QG2 VAL 132 OK 64 71 95 95 5.3-8.5 9667/10546=43...(17) HA VAL 126 + QG2 VAL 132 OK 62 67 100 93 6.2-7.4 10402/10490=74...(11) HA VAL 77 + QG1 VAL 132 OK 62 100 65 96 6.8-9.0 9667/10546=51...(12) HA VAL 126 + QG1 VAL 132 OK 55 97 65 87 6.8-9.4 10402/10490=37...(10) HA LEU 42 - QG2 VAL 132 far 5 46 10 - 7.9-10.2 HA LEU 42 - QG1 VAL 132 far 0 73 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 11954 from aliabs.peaks (8.15, 3.77, 64.98 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.96: H VAL 133 + HA VAL 133 OK 96 96 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 11955 from aliabs.peaks (8.07, 3.77, 64.98 ppm; 6.80 A): 0 out of 0 assignments used, quality = 0.00: Peak 11956 from aliabs.peaks (1.15, 0.27, 13.24 ppm; 6.80 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 132 + QD1 ILE 80 OK 98 98 100 100 2.8-6.0 2.1/9722=100...(46) QG1 VAL 132 + QD1 ILE 80 OK 81 81 100 100 3.5-8.1 2.1/9722=100...(43) HG2 LYS 39 + QD1 ILE 80 OK 44 93 55 85 5.8-11.1 10850/9746=46...(14) HG3 LYS 39 - QD1 ILE 80 far 14 96 15 - 7.0-10.8 QB ALA 41 - QD1 ILE 80 far 7 65 10 - 8.0-11.5 QG2 THR 18 - QD1 ILE 80 far 5 90 5 - 6.8-29.7 Violated in 0 structures by 0.00 A. Peak 11957 from aliabs.peaks (1.15, 0.81, 17.00 ppm; 6.80 A): 6 out of 10 assignments used, quality = 1.00: QG2 VAL 132 + QG2 ILE 80 OK 99 99 100 100 2.9-6.9 ~9722=82, 11738/3.1=48...(42) QG1 VAL 132 + QG2 ILE 80 OK 87 87 100 100 4.7-7.1 ~9722=82, 10535/11237=52...(44) QG2 VAL 132 + QG2 ILE 129 OK 86 86 100 100 2.1-3.4 11737/3.0=99...(55) QG1 VAL 132 + QG2 ILE 129 OK 70 70 100 100 3.5-5.1 ~11737=87, ~10477=86...(48) HG2 LYS 39 + QG2 ILE 80 OK 37 97 75 51 5.6-9.8 10850/9739=17...(11) HG2 LYS 39 + QG2 ILE 129 OK 35 81 65 67 6.9-9.5 10939/10486=28...(12) HG3 LYS 39 - QG2 ILE 129 poor 19 76 25 - 7.5-9.5 HG3 LYS 39 - QG2 ILE 80 poor 17 92 45 40 7.0-11.1 ~11956=12, ~11931=12...(9) QG2 THR 18 - QG2 ILE 80 far 4 85 5 - 7.8-29.3 QG2 THR 18 - QG2 ILE 129 far 0 68 0 - 9.1-27.4 Violated in 0 structures by 0.00 A. Peak 11958 from aliabs.peaks (1.17, 1.74, 38.30 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.94: QG2 VAL 77 + HB ILE 80 OK 81 81 100 100 2.7-5.3 3.2/9730=88...(43) QG2 VAL 132 + HB ILE 80 OK 67 71 95 100 4.3-9.0 ~9722=81, ~11656=38...(23) QG2 THR 18 - HB ILE 80 far 0 100 0 - 8.5-36.1 HG3 LYS 39 - HB ILE 80 far 0 100 0 - 8.7-13.0 Violated in 0 structures by 0.00 A. Peak 11959 from aliabs.peaks (1.06, 1.79, 32.49 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.97: QG1 VAL 77 + HB2 LYS 86 OK 97 97 100 100 5.7-7.7 11859/3.0=97...(30) QG2 VAL 133 - HB2 LYS 86 poor 19 76 25 - 7.7-10.5 QG1 VAL 77 - HB3 LYS 31 far 0 56 0 - 9.6-24.6 Violated in 5 structures by 0.10 A. Peak 11960 from aliabs.peaks (4.00, 1.75, 30.64 ppm; 6.80 A): 1 out of 11 assignments used, quality = 0.79: HA VAL 20 + HB2 ARG 23 OK 79 99 80 100 3.0-9.7 11783/6203=98...(18) HB2 SER 38 - HB2 ARG 23 far 5 99 5 - 4.5-31.9 HA GLN 68 - HB2 ARG 23 far 5 100 5 - 7.5-21.5 HA SER 60 - HB2 ARG 23 far 5 96 5 - 7.0-28.5 HB3 SER 51 - HB2 ARG 23 far 5 90 5 - 5.4-30.3 HB3 SER 106 - HB2 ARG 23 far 4 87 5 - 7.4-40.2 HA ILE 37 - HB2 ARG 23 far 4 76 5 - 7.7-27.2 HA SER 50 - HB2 ARG 23 far 0 100 0 - 8.8-27.9 HA LYS 95 - HB2 ARG 23 far 0 65 0 - 9.2-35.2 HB3 SER 99 - HB2 ARG 23 far 0 100 0 - 9.7-34.1 HA LEU 103 - HB2 ARG 23 far 0 89 0 - 9.8-35.5 Violated in 5 structures by 0.57 A. Peak 11961 from aliabs.peaks (3.99, 1.82, 30.64 ppm; 6.80 A): 2 out of 12 assignments used, quality = 0.91: HA VAL 20 + HB3 ARG 23 OK 80 100 80 100 3.8-10.9 11783/6204=96...(18) HA ARG 135 + HB3 ARG 135 OK 55 55 100 100 2.3-3.0 3.0=100 HA SER 60 - HB3 ARG 23 far 9 89 10 - 7.0-27.0 HB2 SER 106 - HB3 ARG 23 far 7 68 10 - 8.1-38.8 HA GLN 68 - HB3 ARG 23 far 5 97 5 - 6.1-20.9 HB3 SER 51 - HB3 ARG 23 far 5 97 5 - 5.7-30.9 HB2 SER 38 - HB3 ARG 23 far 5 97 5 - 6.1-32.2 HB3 SER 106 - HB3 ARG 23 far 5 95 5 - 7.4-38.9 HA ILE 37 - HB3 ARG 23 far 3 63 5 - 8.1-27.7 HA THR 65 - HB3 ARG 23 far 0 78 0 - 8.7-20.9 HA SER 50 - HB3 ARG 23 far 0 100 0 - 8.9-28.3 HA LEU 103 - HB3 ARG 23 far 0 78 0 - 9.4-34.3 Violated in 0 structures by 0.00 A. Peak 11962 from aliabs.peaks (1.35, 4.28, 61.69 ppm; 6.80 A): 3 out of 14 assignments used, quality = 0.93: HG2 LYS 19 + HA THR 18 OK 76 76 100 100 4.0-7.3 4.9/226=98, 10683/3.0=64...(21) QB ALA 21 + HA THR 18 OK 49 100 100 49 2.2-8.0 10683/3.0=17...(7) HG2 LYS 24 + HA THR 25 OK 39 39 100 100 3.0-6.9 ~6233=72, ~6232=72...(28) QB ALA 21 - HA THR 25 poor 15 77 20 - 5.5-11.6 HG2 LYS 19 - HA THR 25 poor 10 51 20 - 6.5-20.7 QB ALA 12 - HA THR 18 lone 7 96 50 14 3.6-12.4 10683/3.0=4, 10670/3.0=3 QB ALA 12 - HA THR 25 far 3 70 5 - 5.1-18.5 HB2 LEU 42 - HA THR 18 far 3 68 5 - 7.1-34.7 HG2 LYS 24 - HA THR 18 lone 2 60 45 6 3.6-15.8 512/3.6=1 QB ALA 46 - HA THR 25 far 0 74 0 - 8.6-20.3 QB ALA 46 - HA SER 74 far 0 65 0 - 8.7-11.1 HB2 LEU 42 - HA THR 25 far 0 45 0 - 8.7-26.8 HB2 LEU 42 - HA SER 74 far 0 39 0 - 9.7-11.9 QB ALA 46 - HA THR 18 far 0 99 0 - 9.8-28.7 Violated in 0 structures by 0.00 A. Peak 11964 from aliabs.peaks (1.76, 4.19, 69.70 ppm; 6.80 A): 3 out of 14 assignments used, quality = 1.00: HB2 LYS 26 + HB THR 25 OK 92 92 100 100 3.7-7.1 4.0/6247=100...(29) HB2 LYS 24 + HB THR 25 OK 90 90 100 100 4.7-7.2 4.7/6241=99...(31) HB2 LYS 19 + HB THR 18 OK 75 75 100 100 3.8-5.8 3.9/6146=97, ~10697=70...(29) HB2 LYS 31 - HB THR 18 poor 15 75 20 - 5.0-26.4 HB2 ARG 23 - HB THR 25 poor 15 99 50 30 4.6-10.0 6232/6241=12, 433/6247=9...(6) HB2 LYS 19 - HB THR 25 far 13 89 15 - 2.8-20.1 HB2 LEU 48 - HB THR 25 far 8 85 10 - 2.0-28.6 HB2 ARG 23 - HB THR 18 far 4 87 5 - 4.3-13.8 HB2 LYS 31 - HB THR 25 lone 4 89 50 9 3.7-16.5 639/10691=3, 790/584=2 HB2 LYS 24 - HB THR 18 lone 1 77 30 5 2.3-15.9 HB3 LEU 98 - HB THR 25 far 0 76 0 - 8.5-30.5 HB2 LYS 26 - HB THR 18 far 0 78 0 - 9.0-23.2 HB2 LYS 39 - HB THR 18 far 0 90 0 - 9.2-40.9 HB2 LEU 48 - HB THR 18 far 0 71 0 - 9.2-34.8 Violated in 0 structures by 0.00 A. Peak 11966 from aliabs.peaks (0.93, 4.28, 52.57 ppm; 6.80 A): 8 out of 57 assignments used, quality = 1.00: QG2 VAL 112 + HA ALA 110 OK 90 91 100 99 5.0-8.2 11478/3.0=67...(13) QG2 VAL 112 + HA ALA 109 OK 81 90 90 100 3.8-10.0 ~10135=98, ~10135=97...(14) QG1 VAL 20 + HA ALA 16 OK 78 89 90 98 2.1-9.6 ~10683=95, 10680/4.9=23...(8) QG2 VAL 63 + HA ALA 108 OK 58 82 70 100 2.5-11.1 11484/3.0=94, ~10964=50...(15) QG2 VAL 63 + HA ALA 109 OK 48 78 70 88 5.2-11.7 10118/3.0=49...(11) QG1 VAL 20 + HA ALA 21 OK 43 43 100 100 3.2-5.7 ~6177=92, ~10711=91...(15) QG2 VAL 112 + HA ALA 108 OK 22 94 45 51 5.8-13.9 10118/3.6=47...(3) QG1 VAL 105 + HA ALA 108 OK 21 54 40 98 6.0-10.0 ~10084=72, ~10084=69...(5) QG1 VAL 57 - HA ALA 16 poor 18 89 20 - 5.8-32.3 QD1 LEU 119 - HA ALA 109 poor 16 81 20 - 4.1-12.7 QG2 VAL 63 - HA ALA 110 poor 16 79 60 33 5.7-13.1 11478/3.0=21...(4) QG1 VAL 105 - HA ALA 109 poor 15 51 30 - 4.1-11.4 QG2 VAL 112 - HA ALA 16 far 15 100 15 - 4.0-43.0 QG2 VAL 112 - HA ALA 15 far 14 94 15 - 2.3-45.6 QD1 LEU 119 - HA ALA 108 far 13 85 15 - 5.3-13.7 QG1 VAL 57 - HA ALA 15 far 12 79 15 - 4.3-34.2 QG1 VAL 20 - HA ALA 15 lone 11 79 75 19 4.3-10.1 11135/3.6=15, 353/6130=2 QG1 VAL 105 - HA ALA 110 poor 10 52 20 - 7.5-14.6 QG2 ILE 37 - HA ALA 16 far 10 98 10 - 4.8-25.5 QG2 ILE 37 - HA ALA 15 far 9 90 10 - 7.8-26.1 QG1 VAL 20 - HA ALA 110 far 8 76 10 - 6.9-42.5 QG1 VAL 57 - HA ALA 110 far 8 76 10 - 6.9-19.9 QG2 ILE 37 - HA ALA 21 far 5 51 10 - 5.2-25.0 QD1 LEU 48 - HA ALA 16 far 5 90 5 - 8.1-25.8 QG2 ILE 37 - HA ALA 12 far 4 90 5 - 6.3-29.1 QD1 LEU 48 - HA ALA 21 far 4 44 10 - 6.6-23.5 QG1 VAL 57 - HA ALA 21 far 4 43 10 - 5.6-27.3 QD1 LEU 119 - HA ALA 15 far 4 86 5 - 8.2-38.2 QD1 LEU 48 - HA ALA 15 far 4 81 5 - 8.2-25.6 QD1 LEU 48 - HA ALA 12 far 4 80 5 - 7.7-29.7 QG1 VAL 20 - HA ALA 108 far 4 79 5 - 5.9-39.7 QG1 VAL 57 - HA ALA 12 far 4 79 5 - 6.5-35.4 QG1 VAL 57 - HA ALA 109 far 4 75 5 - 7.1-18.0 QG1 VAL 20 - HA ALA 109 far 4 75 5 - 8.1-41.7 QD1 LEU 62 - HA ALA 108 lone 3 87 30 12 4.8-11.3 6810/6803=5, 6826/6819=3 QG1 VAL 105 - HA ALA 15 far 3 54 5 - 5.8-40.8 QG1 VAL 105 - HA ALA 12 far 3 54 5 - 6.8-42.6 QD1 LEU 119 - HA ALA 21 far 2 47 5 - 6.4-31.7 QG1 VAL 20 - HA ALA 12 lone 1 79 30 3 4.4-14.5 QD1 LEU 62 - HA ALA 109 lone 1 83 25 3 5.6-11.6 QD1 LEU 62 - HA ALA 110 lone 1 83 25 3 5.6-13.7 QD1 LEU 119 - HA ALA 110 lone 1 82 25 3 4.7-13.6 QD1 LEU 119 - HA ALA 16 far 0 95 0 - 8.3-36.2 QG1 VAL 105 - HA ALA 16 far 0 63 0 - 8.4-37.7 QG2 VAL 63 - HA ALA 15 far 0 83 0 - 8.5-35.1 QD1 LEU 123 - HA ALA 16 far 0 100 0 - 8.6-32.2 QD1 LEU 49 - HA ALA 16 far 0 95 0 - 8.9-29.4 QG1 VAL 105 - HA ALA 21 far 0 28 0 - 9.3-34.7 QG2 VAL 112 - HA ALA 21 far 0 54 0 - 9.3-38.9 QG2 VAL 63 - HA ALA 12 far 0 82 0 - 9.5-36.3 QG1 VAL 57 - HA ALA 108 far 0 79 0 - 9.8-18.4 QD1 LEU 62 - HA ALA 21 far 0 48 0 - 9.8-28.9 QD1 LEU 62 - HA ALA 15 far 0 87 0 - 9.8-35.5 QG2 VAL 112 - HA ALA 12 far 0 93 0 - 9.9-46.3 QD1 LEU 49 - HA ALA 21 far 0 47 0 - 10.0-24.4 QD1 LEU 62 - HA ALA 12 far 0 86 0 - 10.0-36.3 QD1 LEU 62 - HA ALA 16 far 0 96 0 - 10.0-33.2 Violated in 0 structures by 0.00 A. Peak 11967 from aliabs.peaks (1.35, 4.26, 54.88 ppm; 6.80 A): 2 out of 7 assignments used, quality = 1.00: QB ALA 21 + HA LEU 22 OK 100 100 100 100 3.8-4.6 6186/2.9=100...(11) HG2 LYS 24 + HA LEU 22 OK 41 71 95 61 2.7-8.4 ~831=17, 5.1/6212=15...(14) QB ALA 12 - HA LEU 22 far 10 99 10 - 6.9-15.0 HG2 LYS 19 - HA LEU 22 far 8 85 10 - 6.4-12.3 QB ALA 29 - HA LEU 22 far 7 65 10 - 7.0-15.2 QB ALA 108 - HA LEU 22 far 6 63 10 - 3.4-34.1 HG2 LYS 36 - HA LEU 22 far 0 60 0 - 9.0-29.7 Violated in 0 structures by 0.00 A. Peak 11968 from aliabs.peaks (2.79, 4.36, 64.64 ppm; 3.34 A): 3 out of 6 assignments used, quality = 0.71: HB2 ASN 120 + HA PRO 117 OK 54 86 65 96 3.9-6.7 11625=45, 10301/2.3=38...(17) HB3 ASN 120 + HA PRO 117 OK 21 89 25 96 3.8-6.2 1.8/11625=38...(17) HB2 TYR 76 + HA CYS 73 OK 20 30 95 72 1.8-5.9 3.8/11789=26...(15) HB2 ASN 121 - HA PRO 117 far 5 92 5 - 4.4-7.9 HB3 ASP 71 - HA CYS 73 far 0 44 0 - 7.6-8.5 HB3 ASN 85 - HA CYS 73 far 0 27 0 - 9.2-12.3 Violated in 5 structures by 0.10 A. Average quality of peak assignments : 0.943 Average number of used assignments : 2.544 Average rank of reference assignment: 1.048 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 6.33 A Atom Residue Shift Peaks Used Expect H HIS 5 8.529 28 2 13 HA HIS 5 4.410 35 3 11 Peaks: selected : 13995 in nnoeabs.peaks : 2363 in cnoeabs.peaks : 6029 in aliabs.peaks : 5603 assigned : 13694 unassigned : 301 without assignment possibility : 66 with violation below 0.5 A : 11 with violation between 0.5 and 3.0 A : 160 with violation above 3.0 A : 64 in nnoeabs.peaks : 33 in cnoeabs.peaks : 99 in aliabs.peaks : 169 with diagonal assignment : 1579 Cross peaks: with off-diagonal assignment : 12115 with unique assignment : 5341 with short-range assignment |i-j|<=1: 8886 with medium-range assignment 1<|i-j|<5 : 2006 with long-range assignment |i-j|>=5: 1223 Comparison with reference assignment: Cross peaks with reference assignment : 8311 with identical reference assignment : 3639 with compatible reference assignment : 8046 with incompatible reference assignment : 5 with additional reference assignment : 1 with additional assignment : 4064